A0A3Q0KQQ7_SCHMA Loading...

Putative partner of ralbp-1

AlphaFold DB , UniProt , Accession A0A3Q0KQQ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 684 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.1Very low43.5Very low227 Ų227109.3 Ų109.3100%1.11853%0.528SS*.  0-31.80-75.4175.7173.100112.2Q3M1-Q3 PolarHBondContact O-N 2.68Å
2E38.3Very low43.5Very low131 Ų131106.3 Ų106.361%0.61254%0.535SS*.G310 helixtrans-56.5-37.4180-13057.4-12000116.5V4 R5E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 2.71Å; E2-R5 IonicContact OE1-CZ 3.56Å; E2-R5 IonicContact OE1-NE 3.9Å; E2-R5 IonicContact OE1-NH2 3.32Å; E2-R5 PolarHBondContact OE1-NH2 2.79Å
3Q38.2Very low43.7Very low183 Ų183110.5 Ų110.586%0.85555%0.552SS**G310 helixtrans-72.2-7.1-169.5-75.4175.1-56.900116.1M1M1-Q3 PolarHBondContact O-N 2.68Å
4V43Very low44.2Very low97 Ų97105.6 Ų105.659%0.58853%0.525SS*.G310 helixtrans-81.4-17.1-175.1-173.80000112.5E2 H6E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 2.71Å; V4-H6 PolarHBondContact O-N 3.29Å
5R40.5Very low44.3Very low152 Ų152107.1 Ų107.157%0.57454%0.536SS*.THydrogen-bonded Turntrans-71.1-28.9-173.5-84.4-169.7-99.7-129.12.4115.8E2 G7 Q8E2-R5 IonicContact OE1-CZ 3.56Å; E2-R5 IonicContact OE1-NE 3.9Å; E2-R5 IonicContact OE1-NH2 3.32Å; E2-R5 PolarHBondContact OE1-NH2 2.79Å; R5-G7 PolarHBondContact O-N 3.46Å; R5-G7 VanDerWaalsContact O-N 3.13Å; R5-Q8 PolarHBondContact O-N 3.17Å
6H45.1Very low44.3Very low139 Ų139110.6 Ų110.664%0.64456%0.557SS**THydrogen-bonded Turntrans-69.3-11.9-172.9-63.5-24.1000114.8V4 E9V4-H6 PolarHBondContact O-N 3.29Å; H6-E9 IonicContact CE1-OE2 3.94Å; H6-E9 IonicContact CG-OE2 3.91Å; H6-E9 IonicContact ND1-OE1 2.68Å; H6-E9 IonicContact ND1-OE2 3.7Å; H6-E9 PolarHBondContact ND1-OE2 2.99Å
7G43.5Very low44.3Very low18 Ų18114.1 Ų114.119%0.18658%0.578CS.*THydrogen-bonded Turntrans-70.7-50.117300000112.7R5 E9 S10R5-G7 PolarHBondContact O-N 3.46Å; R5-G7 VanDerWaalsContact O-N 3.13Å; G7-E9 VanDerWaalsContact C-N 3.35Å; G7-E9 PolarHBondContact O-N 3.35Å; G7-S10 PolarHBondContact O-N 3.38Å; G7-S10 PolarHBondContact O-OG 3.43Å
8Q42.8Very low44Very low119 Ų119116.9 Ų116.956%0.55660%0.595SS**THydrogen-bonded Turntrans-71.4-27-174.5-65.4-173.4-39.400113.4R5 S10 W11 A12R5-Q8 PolarHBondContact O-N 3.17Å; Q8-S10 PolarHBondContact O-N 3.45Å; Q8-W11 PolarHBondContact O-N 3.13Å; Q8-A12 PolarHBondContact O-N 3.1Å
9E45.4Very low43.8Very low102 Ų102116.2 Ų116.248%0.47760%0.601SS.*Hα-helixtrans-58-28.4176.2-71.3165.9-175.300112.5H6 G7 W11 Q13H6-E9 IonicContact CE1-OE2 3.94Å; H6-E9 IonicContact CG-OE2 3.91Å; H6-E9 IonicContact ND1-OE1 2.68Å; H6-E9 IonicContact ND1-OE2 3.7Å; H6-E9 PolarHBondContact ND1-OE2 2.99Å; G7-E9 VanDerWaalsContact C-N 3.35Å; G7-E9 PolarHBondContact O-N 3.35Å; E9-W11 VanDerWaalsContact C-N 3.33Å; E9-W11 PolarHBondContact O-N 3.18Å; E9-Q13 PolarHBondContact O-N 3.37Å
10S46.9Very low43.4Very low23 Ų23115.5 Ų115.516%0.16161%0.607CS.*Hα-helixtrans-67.2-27.8-17967.10000114.6G7 Q8 K224G7-S10 PolarHBondContact O-N 3.38Å; G7-S10 PolarHBondContact O-OG 3.43Å; Q8-S10 PolarHBondContact O-N 3.45Å; S10-K224 VanDerWaalsContact O-CD 3.27Å; S10-K224 WeakPolarHBondContact O-CD 3.44Å; S10-K224 PolarHBondContact O-NZ 3.39Å
11W51.5Low43.2Very low11 Ų11116.5 Ų116.54%0.04262%0.618CS.*Hα-helixtrans-100.3-31.9178.6-73.890.5000112.9Q8 E9 Q13 F14 K224 L237 W241Q8-W11 PolarHBondContact O-N 3.13Å; E9-W11 VanDerWaalsContact C-N 3.33Å; E9-W11 PolarHBondContact O-N 3.18Å; W11-Q13 PolarHBondContact O-N 3.21Å; W11-Q13 VanDerWaalsContact O-N 3.1Å; W11-F14 HydrophobicContact CD2-CD2 4.22Å; W11-F14 HydrophobicContact CD2-CE2 4.01Å; W11-F14 AromaticContact CE3-CD2 3.43Å; W11-F14 HydrophobicContact CE3-CD2 3.43Å; W11-F14 VanDerWaalsContact CE3-CD2 3.43Å; W11-F14 AromaticContact CE3-CE2 3.27Å; W11-F14 HydrophobicContact CE3-CE2 3.27Å; W11-F14 HydrophobicContact CE3-CZ 4.49Å; W11-F14 AromaticContact CH2-CE2 3.92Å; W11-F14 HydrophobicContact CH2-CE2 3.92Å; W11-F14 AromaticContact CZ3-CD2 3.79Å; W11-F14 HydrophobicContact CZ3-CD2 3.79Å; W11-F14 AromaticContact CZ3-CE2 3.2Å; W11-F14 HydrophobicContact CZ3-CE2 3.2Å; W11-F14 HydrophobicContact CZ3-CZ 4.08Å; W11-F14 WeakPolarHBondContact O-CB 3.44Å; W11-F14 PolarHBondContact O-N 3.19Å; W11-K224 HydrophobicContact CH2-CB 4.29Å; W11-K224 HydrophobicContact CH2-CG 4.44Å; W11-K224 HydrophobicContact CZ2-CB 3.69Å; W11-K224 HydrophobicContact CZ2-CG 4.26Å; W11-L237 HydrophobicContact CH2-CB 3.89Å; W11-L237 HydrophobicContact CZ3-CB 3.52Å; W11-W241 AromaticContact CD1-CD2 3.63Å; W11-W241 AromaticContact CD1-CE2 3.81Å; W11-W241 AromaticContact CD1-CG 3.81Å; W11-W241 HydrophobicContact CD2-CB 3.99Å; W11-W241 HydrophobicContact CD2-CD2 4.23Å; W11-W241 HydrophobicContact CD2-CE3 4.48Å; W11-W241 AromaticContact CD2-CG 3.99Å; W11-W241 HydrophobicContact CD2-CG 3.99Å; W11-W241 AromaticContact CE2-CD2 3.61Å; W11-W241 AromaticContact CE2-CE3 3.46Å; W11-W241 VanDerWaalsContact CE2-CE3 3.46Å; W11-W241 AromaticContact CE2-CG 3.84Å; W11-W241 HydrophobicContact CE3-CB 4.25Å; W11-W241 HydrophobicContact CG-CB 4.42Å; W11-W241 HydrophobicContact CG-CD2 4.28Å; W11-W241 HydrophobicContact CG-CG 4.03Å; W11-W241 HydrophobicContact CZ2-CB 4.35Å; W11-W241 HydrophobicContact CZ2-CD2 4.15Å; W11-W241 AromaticContact CZ2-CE3 3.58Å; W11-W241 HydrophobicContact CZ2-CE3 3.58Å; W11-W241 HydrophobicContact CZ2-CG 4.48Å; W11-W241 HydrophobicContact CZ2-CZ3 4.32Å; W11-W241 AromaticContact NE1-CD2 3.15Å; W11-W241 AromaticContact NE1-CE2 3.64Å; W11-W241 AromaticContact NE1-CE3 3.18Å; W11-W241 AromaticContact NE1-CG 3.67Å; W11-W241 AromaticContact NE1-CZ3 3.68Å
12A44Very low42.9Very low74 Ų74112 Ų11261%0.61260%0.603SS**Hα-helixtrans-59.8-20.3172.200000113.5Q8 F14Q8-A12 PolarHBondContact O-N 3.1Å; A12-F14 VanDerWaalsContact C-N 3.25Å; A12-F14 PolarHBondContact O-N 3.26Å
13Q45.3Very low42.8Very low161 Ų161117 Ų11775%0.75262%0.617SS**THydrogen-bonded Turntrans-88.442.3172.5-157.8-176.3-11.200112.8E9 W11 K224E9-Q13 PolarHBondContact O-N 3.37Å; W11-Q13 PolarHBondContact O-N 3.21Å; W11-Q13 VanDerWaalsContact O-N 3.1Å; Q13-K224 PolarHBondContact O-NZ 2.95Å
14F50.6Low42.8Very low41 Ų41117.5 Ų117.518%0.1862%0.616CS.*THydrogen-bonded Turntrans-115.1-15.5170.1-94.8-57.2000114.2W11 A12 K224 E228 S234W11-F14 HydrophobicContact CD2-CD2 4.22Å; W11-F14 HydrophobicContact CD2-CE2 4.01Å; W11-F14 AromaticContact CE3-CD2 3.43Å; W11-F14 HydrophobicContact CE3-CD2 3.43Å; W11-F14 VanDerWaalsContact CE3-CD2 3.43Å; W11-F14 AromaticContact CE3-CE2 3.27Å; W11-F14 HydrophobicContact CE3-CE2 3.27Å; W11-F14 HydrophobicContact CE3-CZ 4.49Å; W11-F14 AromaticContact CH2-CE2 3.92Å; W11-F14 HydrophobicContact CH2-CE2 3.92Å; W11-F14 AromaticContact CZ3-CD2 3.79Å; W11-F14 HydrophobicContact CZ3-CD2 3.79Å; W11-F14 AromaticContact CZ3-CE2 3.2Å; W11-F14 HydrophobicContact CZ3-CE2 3.2Å; W11-F14 HydrophobicContact CZ3-CZ 4.08Å; W11-F14 WeakPolarHBondContact O-CB 3.44Å; W11-F14 PolarHBondContact O-N 3.19Å; A12-F14 VanDerWaalsContact C-N 3.25Å; A12-F14 PolarHBondContact O-N 3.26Å; F14-K224 HydrophobicContact CD2-CD 4.35Å; F14-K224 HydrophobicContact CE2-CD 3.47Å; F14-K224 VanDerWaalsContact CE2-CD 3.47Å; F14-K224 HydrophobicContact CE2-CG 3.84Å; F14-K224 HydrophobicContact CZ-CD 3.78Å; F14-K224 HydrophobicContact CZ-CG 3.84Å; F14-E228 HydrophobicContact CE1-CG 4.43Å; F14-E228 HydrophobicContact CZ-CG 3.93Å; F14-E228 WeakPolarHBondContact CZ-OE1 3.41Å; F14-S234 WeakPolarHBondContact CD1-OG 3.31Å
15D46.1Very low42.6Very low128 Ų128121.8 Ų121.868%0.68463%0.629SS**SBendtrans-82.8156.7164.9-64.1-51.5000110
16D44.9Very low42.3Very low164 Ų164120.7 Ų120.788%0.87763%0.634SS**SBendtrans67.155.3175.9-64.2-23.4000118.9
17D44.4Very low41.9Very low169 Ų169120 Ų12090%0.90465%0.645SS**  trans-151.441.8156.7-135.6-8.1000116.6
18D39Very low41.6Very low165 Ų165123.9 Ų123.988%0.88268%0.675SS**  trans-146.279170-1637.6000114.6
19S40.3Very low41.4Very low103 Ų103123.2 Ų123.272%0.7268%0.681SS**SBendtrans-172.3107.7149.2-175.60000113.2
20S34.6Very low40.8Very low103 Ų103125.5 Ų125.572%0.7270%0.695SS**  trans48.5112.4154.272.40000120.2
21T39.8Very low39.9Very low136 Ų136130 Ų13083%0.83473%0.725SS**  -169.3129.9122.8-85.70000112.7R23T21-R23 PolarHBondContact O-N 3.29Å
22V37.4Very low39.1Very low134 Ų134135.9 Ų135.981%0.81276%0.762SS**  trans-79.6110.3169.9176.90000110.3
23R36.4Very low38.4Very low236 Ų236137 Ų13789%0.89177%0.766SS**  trans-162.4141.4142.1-112.6159.5-131.2-145.92.2114.8T21T21-R23 PolarHBondContact O-N 3.29Å
24K37.7Very low37.8Very low192 Ų192138.2 Ų138.284%0.83577%0.771SS**  trans-75.1141.8169.9-55.2148.8-176.9167.30108.7
25H39Very low36.9Very low188 Ų188140.5 Ų140.587%0.8779%0.792SS**  -157.8134.8128-112.2-79.5000110.2
26L34.7Very low36.2Very low128 Ų128143.4 Ų143.467%0.6780%0.795SS**  trans-95.4136.9163.3-73.594000108
27S35.8Very low35.6Very low126 Ų126144.5 Ų144.588%0.88179%0.792SS**  trans-167.6105.6150.5-96.80000109.7
28A37.7Very low35.2Very low98 Ų98141.3 Ų141.381%0.8178%0.781SS**  trans-110.3144.3155.300000107.3
29P37.9Very low35.1Very low105 Ų105142.8 Ų142.868%0.68279%0.785SS**  trans-147.1133.8134.329.9-10.7000116.2
30I32.6Very low34.6Very low150 Ų150146.5 Ų146.577%0.76979%0.791SS**  75.1119.2126.9-61.9171.7000120
31C28.8Very low34.8Very low118 Ų118147.8 Ų147.880%0.79779%0.794SS**  trans64.9160.6155.2-69.20000118.7
32T33.6Very low34.6Very low135 Ų135146 Ų14683%0.82879%0.788SS**  cis-123.81637.644.50000114
33S30.9Very low34.4Very low98 Ų98144.6 Ų144.669%0.68578%0.784SS**  trans-78.2150.6172.252.90000114.5
34H32.9Very low34.3Very low185 Ų185142.4 Ų142.486%0.85678%0.781SS**  -160.6-178.7119-112.2-52.5000112.7
35S31.7Very low34.3Very low90 Ų90140.2 Ų140.263%0.62978%0.777SS**  trans-154.6173.3-159.353.80000112.5
36Y31.1Very low33.9Very low188 Ų188138.5 Ų138.574%0.73777%0.774SS**  trans67.8156.4178.3-85-101.9000115
37F32.4Very low34Very low188 Ų188141.5 Ų141.583%0.82579%0.785SS**  cis-132.4153.816.4-98.6-88.9000113.6
38P35.9Very low33.8Very low102 Ų102144 Ų14466%0.66278%0.782SS**  trans-82.9171159.536.8-35.5000112
39M36.1Very low33.8Very low196 Ų196148.1 Ų148.197%0.96679%0.785SS**  trans-112.4126.1175.8-155.1175.8-162.900111.3
40E30.5Very low33.5Very low181 Ų181148.6 Ų148.685%0.84679%0.786SS**  trans-93.1154.8175.2-61.8-173.1125.600112.3
41T38.3Very low33.8Very low130 Ų130149.7 Ų149.780%0.79879%0.792SS**  trans-146.2120.4144.948.80000112
42S34.4Very low33.8Very low99 Ų99150.6 Ų150.669%0.69279%0.789SS**  trans41.299.8147.758.80000118.8
43S33.8Very low33.7Very low104 Ų104149 Ų14973%0.72778%0.783SS**  78.8122.670.373.50000116.2
44F34.9Very low33.9Very low189 Ų189152.6 Ų152.683%0.82979%0.788SS**  trans-156.8106.2147-118.5-77.8000113.8
45I37.1Very low33.9Very low147 Ų147153.2 Ų153.275%0.75479%0.789SS**  trans54.9124.4150-62.5-178.7000121
46N31Very low34.3Very low152 Ų152154.9 Ų154.981%0.81380%0.798SS**  trans-73146.7163-71.9-68.9000113
47Q36.2Very low34.3Very low190 Ų190151.2 Ų151.289%0.88879%0.791SS**  -150.9134128.8-123176.239.200111.8
48Q31.4Very low34.6Very low179 Ų179150.8 Ų150.884%0.83680%0.796SS**  trans-136.3127.2179.2-178175.676.100108
49Q38.4Very low34.6Very low184 Ų184148.7 Ų148.786%0.8679%0.793SS**  trans-135.4136.2168.5-75.4-166.4-10.800109.8
50T30.8Very low34.4Very low115 Ų115147 Ų14771%0.70679%0.788SS**  trans-103.9139.7-17745.90000110.5
51I38.7Very low34.6Very low174 Ų174145.6 Ų145.689%0.89278%0.784SS**  trans-132.4133.9163.7-56.3-178.4000107.5
52N29.5Very low34.3Very low137 Ų137144.8 Ų144.873%0.73378%0.775SS**  trans-102.3167.7-171-78.4-45.9000113.2
53S32.7Very low34.3Very low100 Ų100147.5 Ų147.570%0.69978%0.777SS**  trans60.9111.7152.459.90000120.1
54H34Very low34.2Very low174 Ų174148.8 Ų148.881%0.80678%0.775SS**  -164.6138.799.4-105.772.7000113.2
55F32.7Very low34Very low198 Ų198146.5 Ų146.587%0.86877%0.771SS**  trans-135.7147.6161.2-106.5-76.4000107.1
56P39.9Very low33.8Very low125 Ų125146.6 Ų146.681%0.81277%0.772SS**  trans-131.9163.1135.432.7-20.4000113.1
57N32.6Very low33.5Very low112 Ų112148.6 Ų148.660%0.59977%0.774SS**  trans-124.1127.2-167175.9-0.9000110.2H114N57-H114 PolarHBondContact ND2-NE2 2.81Å
58L37.4Very low33.4Very low178 Ų178145.8 Ų145.893%0.93277%0.772SS**  trans-155.3139.6164-73.5-178.5000108.4
59G36.1Very low33.1Very low59 Ų59142 Ų14261%0.60877%0.766SS**  cis156.8117.3-10.600000112.7
60L32.7Very low32.7Very low161 Ų161138.2 Ų138.284%0.84376%0.76SS**  trans42.6136.3155.2-71.9151.9000120.9
61I34.9Very low32.6Very low151 Ų151140.3 Ų140.377%0.77477%0.766SS**  176.7121.5114.7-89.6156.2000111.8
62N31.7Very low32.4Very low113 Ų113136.5 Ų136.560%0.60475%0.754SS**  trans27.1120.3144.9-58.2-32.1000121
63Q33.1Very low32.6Very low156 Ų156138.1 Ų138.173%0.72976%0.757SS**  71.8149.687.1-65.7177.433.100115.8
64N33.7Very low32.8Very low131 Ų131137 Ų13770%0.70175%0.75SS**  trans77.9151.9173.5-49.3-62.6000115.1
65L29.8Very low32.9Very low141 Ų141135.4 Ų135.474%0.73875%0.747SS**  cis-163.5165.4-21.1-109.5174000107.8
66L31.8Very low33.2Very low148 Ų148133 Ų13378%0.77574%0.738SS**  trans63.8137.2157.9-10264.4000120.2
67F25.4Very low32.9Very low195 Ų195132.5 Ų132.586%0.85573%0.729SS**  trans-64.9142.9156-62.1-102.8000110.9
68P33.6Very low33.1Very low130 Ų130134.6 Ų134.684%0.84473%0.733SS**  trans-101.3107.8153.433.3-24.8000110.1
69S26.7Very low33.3Very low101 Ų101133 Ų13371%0.70672%0.722SS**  trans-81.9148.1167.6-63.30000111.2
70S28.7Very low33.4Very low104 Ų104136.4 Ų136.473%0.72773%0.726SS**  trans86.7141.314382.40000122.2
71L30Very low33.6Very low159 Ų159138.8 Ų138.883%0.83272%0.724SS**  trans88.8154.8138-80.1163.1000122.4
72S33.1Very low33.9Very low94 Ų94138.1 Ų138.166%0.65772%0.722SS**  trans73.2141.2-174.9-63.90000116.1
73Q35.1Very low34.5Very low170 Ų170138.4 Ų138.479%0.79473%0.729SS**  cis-166.3153.1-7.2-114.3173.778.900106.7
74S36.5Very low34.7Very low78 Ų78136 Ų13655%0.54573%0.73SS.*  cis-153.2-162.94.1-62.30000108.8
75N36Very low35Very low139 Ų139136.7 Ų136.774%0.74373%0.734SS**  trans69.8122149.9-65.813.6000117.8
76E39.5Very low35.5Very low147 Ų147134.8 Ų134.869%0.68773%0.73SS**  cis-164.1165.90.1-82.1-54.750.900106.8
77L32.3Very low35.9Very low116 Ų116133.8 Ų133.861%0.60773%0.73SS**  cis-165.1-177.2-1.9-118.9169.1000112.7
78F37.8Very low36.5Very low155 Ų155130.5 Ų130.568%0.6873%0.731SS**  trans5196156.3-79.3-77.9000122
79M40.8Very low36.7Very low146 Ų146129.3 Ų129.372%0.71973%0.726SS**  69.3147.7126.1-58.1-56.5-168.900120.9
80L37.6Very low37.7Very low130 Ų130130.4 Ų130.468%0.68173%0.731SS**  cis-162.9146.71.7-122165.6000113.4
81R38.1Very low38Very low211 Ų211135 Ų13580%0.79674%0.738SS**  trans68.5140.3146.3-119.2170.8178.8175.50.7119.7
82N39.9Very low38.5Very low137 Ų137131 Ų13173%0.73373%0.727SS**  cis-159.8158.9-21-110.719.3000109.4
83P44.2Very low38.8Very low118 Ų118130.8 Ų130.877%0.76673%0.732SS**  trans-109.5160.6179.539.9-33.3000116.4
84S39.1Very low39.1Very low107 Ų107129.5 Ų129.575%0.74873%0.729SS**  trans-176160.3167.5-90.30000108.5
85D38.1Very low39.4Very low145 Ų145134.5 Ų134.578%0.77574%0.743SS**  cis-161.6165.6-25-105.3-60.3000109.5
86P42.1Very low39.6Very low100 Ų100131.1 Ų131.165%0.64974%0.741SS**  trans-110.9-178-163.139.4-33.1000118.1
87T39.7Very low39.6Very low128 Ų128136 Ų13679%0.78575%0.753SS**  trans112.4156.2153.272.80000121.2
88S38.1Very low40.1Very low125 Ų125135.3 Ų135.387%0.87476%0.759SS**  trans92.4160160.179.50000119.8
89S37.2Very low40.5Very low105 Ų105133.8 Ų133.873%0.73476%0.764SS**  trans-130.3-176.4-163630000112.5
90P47.7Very low40.3Very low124 Ų124136.9 Ų136.981%0.80577%0.768SS**  -144.9167.1111.338.2-24.3000117.7
91F34.6Very low40.2Very low201 Ų201135 Ų13588%0.88277%0.765SS**  trans-53.9171.2160.9-110.9-125.1000113.4
92A40.2Very low40.3Very low74 Ų74131.3 Ų131.361%0.61277%0.766SS**  cis-160.817115.600000113.1
93A40.1Very low39.9Very low91 Ų91131.5 Ų131.575%0.75277%0.766SS**  trans66.3155.8140.400000119.6
94I42.4Very low39.5Very low142 Ų142135.2 Ų135.273%0.72877%0.77SS**  cis-154.9141-6.3-118.6164.2000109.2
95H41.9Very low39.1Very low184 Ų184135.8 Ų135.885%0.85277%0.769SS**  trans46.1141156.5-59-163.3000121.1
96G39.8Very low38.8Very low68 Ų68133.1 Ų133.170%0.70177%0.767SS**  cis163.7162.6-5.800000114.4
97R39.3Very low38.4Very low248 Ų248140 Ų14094%0.93678%0.78SS**  trans71126.8179.9-58.9-176.8172.4-165.1-3115.6
98S43.1Very low38Very low103 Ų103141.7 Ų141.772%0.7278%0.779SS**  cis78.3137.535.3-165.10000112.7
99P46.5Very low38.1Very low122 Ų122145.3 Ų145.379%0.79278%0.782SS**  cis-132.2-173.625.122.23.7000116.4
100R36.6Very low37.9Very low211 Ų211146.5 Ų146.580%0.79678%0.78SS**  cis166.6135.8-34.1-176.9-149.1177.6157.7-1.1110.1
101S35.7Very low37.5Very low90 Ų90148 Ų14863%0.62978%0.781SS**  trans64.3154.9155.354.20000118.2
102T39.9Very low37.3Very low134 Ų134144.2 Ų144.282%0.82277%0.77SS**  cis-140.5138.330.9-58.70000115.1
103I32.5Very low36.9Very low141 Ų141144.8 Ų144.872%0.72377%0.769SS**  trans-104.9142172.4-53.2160.8000107.6
104K36Very low36.4Very low197 Ų197147.5 Ų147.586%0.85777%0.766SS**  trans171.497.9132.3-93.8163.8-177.2-174.70114.8
105T30.7Very low35.9Very low119 Ų119145.1 Ų145.173%0.7376%0.762SS**  40.7108.6106.8-45.20000119.2
106A31.2Very low35.6Very low89 Ų89145.6 Ų145.674%0.73677%0.765SS**  trans58.2128.413900000121.8
107R33.7Very low35.1Very low243 Ų243150.9 Ų150.992%0.91777%0.773SS**  -138.3143.4120.4-146.2175.9-172.896.9-1.1109.2
108H32.1Very low34.8Very low165 Ų165146.8 Ų146.876%0.76477%0.77SS**  trans-65.4155.6164.6-66.3-164.9000109
109E39.6Very low34.2Very low201 Ų201146.7 Ų146.794%0.93977%0.769SS**  -135.6165.7101.6-68.3-147.8142.800108.9
110N32Very low33.5Very low129 Ų129145.8 Ų145.869%0.6977%0.766SS**  trans-127.1147.8-168.2174.820000108.7
111L39.6Very low33.1Very low157 Ų157144.1 Ų144.182%0.82277%0.767SS**  trans-174.2117.9138.5-101.5161000112.4
112N30.8Very low32.7Very low120 Ų120145.7 Ų145.764%0.64278%0.776SS**  trans19.1114143.4-75.616.3000118.8
113S31Very low32.2Very low87 Ų87143.7 Ų143.761%0.60876%0.764SS**  75.8119.568.577.70000115.7
114H31.2Very low32Very low148 Ų148143.5 Ų143.569%0.68576%0.764SS**  -161.2162.4108.5-120.2-82000113.2N57N57-H114 PolarHBondContact ND2-NE2 2.81Å
115S31.3Very low31.7Very low91 Ų91140.8 Ų140.864%0.63676%0.758SS**  trans-64.5140.1175.150.90000115
116E34.3Very low31.7Very low195 Ų195142.7 Ų142.791%0.91176%0.758SS**  trans-122.6122.5141.4-73.1-166.3120.900109.2
117M30.8Very low31.8Very low179 Ų179146.3 Ų146.388%0.88276%0.758SS**  trans-92.6126.2161.5-71.5-179.4173.400107.3
118N32.3Very low31.5Very low162 Ų162141.3 Ų141.387%0.86674%0.744SS**  trans-164150.7157.2-107.6-37.3000113.9
119S30.6Very low31.7Very low100 Ų100136.9 Ų136.970%0.69973%0.732SS**  trans51.982.8156.5-170.30000118.7
120S31.7Very low31.5Very low104 Ų104133.4 Ų133.473%0.72772%0.716SS**  trans22.6104.5133.251.20000118.3C122S120-C122 PolarHBondContact O-N 3.15Å
121H29.6Very low31.8Very low176 Ų176135.4 Ų135.482%0.81572%0.718SS**  trans-73.879.5174.2-162.9-62.2000111.7T123H121-T123 PolarHBondContact CE1-OG1 3.26Å; H121-T123 PolarHBondContact ND1-OG1 3.08Å; H121-T123 PolarHBondContact O-N 3.08Å
122C26.5Very low31.9Very low122 Ų122131.5 Ų131.582%0.82470%0.698SS**  trans-89.279.2-178.3-1670000112.3S120S120-C122 PolarHBondContact O-N 3.15Å
123T28.7Very low32.6Very low92 Ų92130.3 Ų130.356%0.56469%0.692SS**  trans-149.4150.716443.60000111.3H121H121-T123 PolarHBondContact CE1-OG1 3.26Å; H121-T123 PolarHBondContact ND1-OG1 3.08Å; H121-T123 PolarHBondContact O-N 3.08Å
124D27.7Very low33.5Very low138 Ų138130 Ų13074%0.73868%0.683SS**  trans58.969.2158.2-52.8-31.4000118.9Q126D124-Q126 VanDerWaalsContact C-N 3.26Å; D124-Q126 PolarHBondContact O-N 2.78Å
125I29.7Very low35.3Very low140 Ų140123.5 Ų123.572%0.71865%0.652SS**  trans-69.389.1150.3-57.6178.2000108.1F127I125-F127 HydrophobicContact CB-CE2 4.28Å; I125-F127 HydrophobicContact CG2-CD2 3.9Å; I125-F127 HydrophobicContact CG2-CE2 3.79Å; I125-F127 HydrophobicContact CG2-CG 4.4Å; I125-F127 HydrophobicContact CG2-CZ 4.21Å; I125-F127 WeakPolarHBondContact O-CD2 3.44Å; I125-F127 PolarHBondContact O-N 2.78Å
126Q31.6Very low36.4Very low159 Ų159121.3 Ų121.374%0.74364%0.637SS**  trans-69.893.7166.4-75.6-167.2-27.400109.4D124 H128D124-Q126 VanDerWaalsContact C-N 3.26Å; D124-Q126 PolarHBondContact O-N 2.78Å; Q126-H128 PolarHBondContact O-N 3.08Å; Q126-H128 VanDerWaalsContact O-N 3.07Å; Q126-H128 PolarHBondContact O-ND1 2.73Å
127F32.8Very low37.4Very low164 Ų164115 Ų11572%0.71962%0.615SS**  trans-55.3112.7176.5-81.8-94.1000110.8I125 S129I125-F127 HydrophobicContact CB-CE2 4.28Å; I125-F127 HydrophobicContact CG2-CD2 3.9Å; I125-F127 HydrophobicContact CG2-CE2 3.79Å; I125-F127 HydrophobicContact CG2-CG 4.4Å; I125-F127 HydrophobicContact CG2-CZ 4.21Å; I125-F127 WeakPolarHBondContact O-CD2 3.44Å; I125-F127 PolarHBondContact O-N 2.78Å; F127-S129 PolarHBondContact O-N 2.77Å
128H28Very low38.8Very low138 Ų138107.1 Ų107.164%0.63958%0.576SS**  trans-7497.6176.8-7547.1000109.4Q126 H130 K131Q126-H128 PolarHBondContact O-N 3.08Å; Q126-H128 VanDerWaalsContact O-N 3.07Å; Q126-H128 PolarHBondContact O-ND1 2.73Å; H128-H130 PolarHBondContact O-N 3.27Å; H128-K131 PolarHBondContact O-N 3.39Å
129S35.8Very low39.7Very low73 Ų73103.8 Ų103.851%0.5156%0.558SS.*G310 helixtrans-45.8-30.8-172.8148.40000115.3F127 K131 L132 N133F127-S129 PolarHBondContact O-N 2.77Å; S129-K131 PolarHBondContact O-N 2.94Å; S129-L132 PolarHBondContact O-N 2.82Å; S129-N133 PolarHBondContact O-OD1 3.26Å
130H34.7Very low40.5Very low128 Ų128105.4 Ų105.459%0.59355%0.554SS**G310 helixtrans-55.7-20.3-17467.8-110.1000115.5H128H128-H130 PolarHBondContact O-N 3.27Å
131K40.2Very low40.8Very low171 Ų171105.5 Ų105.574%0.74355%0.552SS**G310 helixtrans-82.8-16.9175.2-79.1-169.1177.5179.80114.9H128 S129H128-K131 PolarHBondContact O-N 3.39Å; S129-K131 PolarHBondContact O-N 2.94Å
132L40.8Very low41.8Very low75 Ų7598.5 Ų98.539%0.39352%0.52SS..THydrogen-bonded Turntrans-83.9-25.1-179.8-59.8177.8000112.6S129 N134 L229S129-L132 PolarHBondContact O-N 2.82Å; L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 3.27Å; L132-L229 HydrophobicContact CB-CD1 3.84Å; L132-L229 HydrophobicContact CD1-CD1 4.31Å
133N45.7Very low42.4Very low95 Ų9597.6 Ų97.651%0.50851%0.511SS..  trans-74.4-9.9-168.5-59.611.2000114.5S129 W135S129-N133 PolarHBondContact O-OD1 3.26Å; N133-W135 VanDerWaalsContact C-N 3.26Å; N133-W135 PolarHBondContact O-N 2.82Å
134N50.4Low42.5Very low79 Ų79101.9 Ų101.942%0.42253%0.525SS..  trans-85.460.2-174.9-169.512.2000113.3L132 S136 S137L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 3.27Å; N134-S136 PolarHBondContact O-N 3.27Å; N134-S136 WeakPolarHBondContact OD1-CB 3.05Å; N134-S136 PolarHBondContact OD1-N 2.77Å; N134-S136 PolarHBondContact OD1-OG 3.23Å; N134-S137 PolarHBondContact ND2-OG 2.98Å; N134-S137 PolarHBondContact O-N 2.9Å; N134-S137 PolarHBondContact OD1-N 2.95Å
135W68.3Low42.5Very low12 Ų12101 Ų1015%0.04552%0.515CS..G310 helixtrans-63.2-17.7166.6-81.786.2000112.6N133 S137 F138 F226 F227 L229 M261 V264 L268N133-W135 VanDerWaalsContact C-N 3.26Å; N133-W135 PolarHBondContact O-N 2.82Å; W135-S137 PolarHBondContact O-N 2.91Å; W135-S137 VanDerWaalsContact O-N 3.1Å; W135-F138 HydrophobicContact CB-CD2 4.36Å; W135-F138 HydrophobicContact CD2-CD2 4.16Å; W135-F138 AromaticContact CD2-CE2 3.97Å; W135-F138 HydrophobicContact CD2-CE2 3.97Å; W135-F138 HydrophobicContact CD2-CZ 4.19Å; W135-F138 HydrophobicContact CE3-CB 4.4Å; W135-F138 AromaticContact CE3-CD1 3.81Å; W135-F138 HydrophobicContact CE3-CD1 3.81Å; W135-F138 AromaticContact CE3-CD2 3.85Å; W135-F138 HydrophobicContact CE3-CD2 3.85Å; W135-F138 AromaticContact CE3-CE1 3.95Å; W135-F138 HydrophobicContact CE3-CE1 3.95Å; W135-F138 AromaticContact CE3-CE2 3.95Å; W135-F138 HydrophobicContact CE3-CE2 3.95Å; W135-F138 AromaticContact CE3-CG 3.76Å; W135-F138 HydrophobicContact CE3-CG 3.76Å; W135-F138 AromaticContact CE3-CZ 4Å; W135-F138 HydrophobicContact CE3-CZ 4Å; W135-F138 HydrophobicContact CG-CD2 4.4Å; W135-F138 HydrophobicContact CG-CE2 4.27Å; W135-F138 HydrophobicContact CH2-CE1 4.12Å; W135-F138 HydrophobicContact CH2-CZ 4.32Å; W135-F138 AromaticContact CZ3-CD1 3.71Å; W135-F138 HydrophobicContact CZ3-CD1 3.71Å; W135-F138 AromaticContact CZ3-CE1 3.68Å; W135-F138 HydrophobicContact CZ3-CE1 3.68Å; W135-F138 HydrophobicContact CZ3-CE2 4.47Å; W135-F138 HydrophobicContact CZ3-CG 4.17Å; W135-F138 HydrophobicContact CZ3-CZ 4.05Å; W135-F138 WeakPolarHBondContact O-CB 3.27Å; W135-F138 WeakPolarHBondContact O-CD2 3.11Å; W135-F138 PolarHBondContact O-N 2.88Å; W135-F226 AromaticContact CH2-CE1 3.8Å; W135-F226 HydrophobicContact CH2-CE1 3.8Å; W135-F226 HydrophobicContact CH2-CZ 4.05Å; W135-F226 HydrophobicContact CZ2-CD1 4.21Å; W135-F226 AromaticContact CZ2-CE1 3.6Å; W135-F226 HydrophobicContact CZ2-CE1 3.6Å; W135-F226 HydrophobicContact CZ2-CE2 4.23Å; W135-F226 AromaticContact CZ2-CZ 3.62Å; W135-F226 HydrophobicContact CZ2-CZ 3.62Å; W135-F227 HydrophobicContact CH2-CD1 4.12Å; W135-L229 VanDerWaalsContact NE1-C 3.33Å; W135-L229 PolarHBondContact NE1-O 3.47Å; W135-M261 HydrophobicContact CH2-CE 4.5Å; W135-M261 HydrophobicContact CH2-SD 4.12Å; W135-M261 HydrophobicContact CZ3-SD 4.19Å; W135-V264 HydrophobicContact CE3-CG1 4.27Å; W135-V264 HydrophobicContact CH2-CG1 3.92Å; W135-V264 HydrophobicContact CZ3-CG1 3.46Å; W135-V264 VanDerWaalsContact CZ3-CG1 3.46Å; W135-L268 HydrophobicContact CE3-CD1 3.87Å; W135-L268 HydrophobicContact CZ3-CD1 4.32Å
136S54.1Low42.5Very low45 Ų45103.6 Ų103.632%0.31552%0.521SS..G310 helixtrans-64.9-13.317591.90000114.5N134 K672N134-S136 PolarHBondContact O-N 3.27Å; N134-S136 WeakPolarHBondContact OD1-CB 3.05Å; N134-S136 PolarHBondContact OD1-N 2.77Å; N134-S136 PolarHBondContact OD1-OG 3.23Å; S136-K672 PolarHBondContact OG-NZ 2.91Å
137S56.1Low42.5Very low64 Ų64104.2 Ų104.245%0.44852%0.523SS..G310 helixtrans-79.5-15170.5-81.70000114N134 W135 N139N134-S137 PolarHBondContact ND2-OG 2.98Å; N134-S137 PolarHBondContact O-N 2.9Å; N134-S137 PolarHBondContact OD1-N 2.95Å; W135-S137 PolarHBondContact O-N 2.91Å; W135-S137 VanDerWaalsContact O-N 3.1Å; S137-N139 VanDerWaalsContact C-N 3.28Å
138F60.5Low42.2Very low13 Ų13105.5 Ų105.56%0.05753%0.532CS..SBendtrans-78.7-15.6178.6-67.5-115.8000112.1W135 Q140 Y202 Q206 F226 M261 V265W135-F138 HydrophobicContact CB-CD2 4.36Å; W135-F138 HydrophobicContact CD2-CD2 4.16Å; W135-F138 AromaticContact CD2-CE2 3.97Å; W135-F138 HydrophobicContact CD2-CE2 3.97Å; W135-F138 HydrophobicContact CD2-CZ 4.19Å; W135-F138 HydrophobicContact CE3-CB 4.4Å; W135-F138 AromaticContact CE3-CD1 3.81Å; W135-F138 HydrophobicContact CE3-CD1 3.81Å; W135-F138 AromaticContact CE3-CD2 3.85Å; W135-F138 HydrophobicContact CE3-CD2 3.85Å; W135-F138 AromaticContact CE3-CE1 3.95Å; W135-F138 HydrophobicContact CE3-CE1 3.95Å; W135-F138 AromaticContact CE3-CE2 3.95Å; W135-F138 HydrophobicContact CE3-CE2 3.95Å; W135-F138 AromaticContact CE3-CG 3.76Å; W135-F138 HydrophobicContact CE3-CG 3.76Å; W135-F138 AromaticContact CE3-CZ 4Å; W135-F138 HydrophobicContact CE3-CZ 4Å; W135-F138 HydrophobicContact CG-CD2 4.4Å; W135-F138 HydrophobicContact CG-CE2 4.27Å; W135-F138 HydrophobicContact CH2-CE1 4.12Å; W135-F138 HydrophobicContact CH2-CZ 4.32Å; W135-F138 AromaticContact CZ3-CD1 3.71Å; W135-F138 HydrophobicContact CZ3-CD1 3.71Å; W135-F138 AromaticContact CZ3-CE1 3.68Å; W135-F138 HydrophobicContact CZ3-CE1 3.68Å; W135-F138 HydrophobicContact CZ3-CE2 4.47Å; W135-F138 HydrophobicContact CZ3-CG 4.17Å; W135-F138 HydrophobicContact CZ3-CZ 4.05Å; W135-F138 WeakPolarHBondContact O-CB 3.27Å; W135-F138 WeakPolarHBondContact O-CD2 3.11Å; W135-F138 PolarHBondContact O-N 2.88Å; F138-Q140 PolarHBondContact O-N 3.09Å; F138-Y202 AromaticContact CD1-CE1 3.68Å; F138-Y202 HydrophobicContact CD1-CE1 3.68Å; F138-Y202 WeakPolarHBondContact CD2-OH 3.35Å; F138-Y202 AromaticContact CE1-CE1 3.67Å; F138-Y202 HydrophobicContact CE1-CE1 3.67Å; F138-Y202 VanDerWaalsContact CE2-OH 3.22Å; F138-Y202 WeakPolarHBondContact CE2-OH 3.27Å; F138-Y202 HydrophobicContact CG-CE1 4.14Å; F138-Y202 HydrophobicContact CZ-CE1 4.17Å; F138-Y202 WeakPolarHBondContact CZ-OH 3.09Å; F138-Q206 HydrophobicContact CE1-CG 4.1Å; F138-Q206 HydrophobicContact CZ-CG 4.19Å; F138-Q206 VanDerWaalsContact CZ-OE1 3.3Å; F138-F226 HydrophobicContact CZ-CZ 4.47Å; F138-M261 HydrophobicContact CD1-SD 3.95Å; F138-M261 HydrophobicContact CE1-CE 4.02Å; F138-M261 HydrophobicContact CE1-SD 3.5Å; F138-M261 WeakPolarHBondContact CE1-SD 3.33Å; F138-V265 HydrophobicContact CB-CG2 4.18Å; F138-V265 HydrophobicContact CD1-CG2 3.95Å
139N50.4Low42.3Very low91 Ų91103.8 Ų103.849%0.48754%0.535SS..  trans-74.351.5175.5-64.9-0.8000111.9S137S137-N139 VanDerWaalsContact C-N 3.28Å
140Q47.3Very low41.9Very low134 Ų134106.7 Ų106.763%0.62655%0.545SS*.  trans-61.1138.1155.1-71.8-74.210.400108.2F138 I142F138-Q140 PolarHBondContact O-N 3.09Å; Q140-I142 VanDerWaalsContact C-N 3.35Å; Q140-I142 PolarHBondContact O-N 2.91Å
141P38Very low41.6Very low106 Ų106106.2 Ų106.269%0.68855%0.554SS**  trans-71.491-179.729.8-34.4000110.3V143P141-V143 PolarHBondContact O-N 3.08Å
142I50.2Low41.3Very low29 Ų29103.1 Ų103.115%0.14955%0.549CS..  trans-54.5130155.9-67.7-179.4000106.6Q140 Q144 V265 Y266Q140-I142 VanDerWaalsContact C-N 3.35Å; Q140-I142 PolarHBondContact O-N 2.91Å; I142-Q144 PolarHBondContact O-N 3.34Å; I142-V265 HydrophobicContact CD1-CG1 4.04Å; I142-Y266 HydrophobicContact CD1-CD2 3.8Å; I142-Y266 HydrophobicContact CD1-CE2 3.45Å; I142-Y266 VanDerWaalsContact CD1-CE2 3.45Å; I142-Y266 HydrophobicContact CG2-CE2 4.18Å; I142-Y266 VanDerWaalsContact CG2-OH 3.22Å; I142-Y266 WeakPolarHBondContact CG2-OH 3.42Å
143V38.6Very low41Very low103 Ų103106.7 Ų106.762%0.62457%0.568SS**  trans-53.3117.6-171.6-1770000108.9P141 F145P141-V143 PolarHBondContact O-N 3.08Å; V143-F145 VanDerWaalsContact C-N 3.3Å; V143-F145 WeakPolarHBondContact O-CD2 3.2Å; V143-F145 PolarHBondContact O-N 2.9Å
144Q31Very low40.5Very low183 Ų183110 Ų11086%0.85558%0.584SS**  trans-69.882.7-166.1-72.9-171.5-45.200112.4I142 K146I142-Q144 PolarHBondContact O-N 3.34Å; Q144-K146 PolarHBondContact O-N 3.32Å
145F28.2Very low40Very low119 Ų119112.7 Ų112.752%0.52260%0.604SS.*  trans-69.969.5165.1-77.7-72.2000110.5V143 Q147 P192V143-F145 VanDerWaalsContact C-N 3.3Å; V143-F145 WeakPolarHBondContact O-CD2 3.2Å; V143-F145 PolarHBondContact O-N 2.9Å; F145-Q147 PolarHBondContact O-N 3.17Å; F145-P192 HydrophobicContact CD2-CG 4.23Å; F145-P192 HydrophobicContact CE2-CG 4.46Å
146K30.2Very low38.6Very low195 Ų195117.9 Ų117.985%0.84864%0.639SS**  trans-6789.2164.6-173.2169.7-174.6170.30107.7Q144 Q148Q144-K146 PolarHBondContact O-N 3.32Å; K146-Q148 PolarHBondContact O-N 2.65Å
147Q30.5Very low37.9Very low171 Ų171123.7 Ų123.780%0.79967%0.666SS**  trans-51.1113.8179.1-71.4-174.5-600109.5F145 S149F145-Q147 PolarHBondContact O-N 3.17Å; Q147-S149 PolarHBondContact O-N 2.7Å
148Q28Very low37.3Very low191 Ų191126.4 Ų126.489%0.89368%0.679SS**  trans-83.565.7179.1-166.1166.1-2.100109.6K146 N150K146-Q148 PolarHBondContact O-N 2.65Å; Q148-N150 PolarHBondContact O-N 3.25Å
149S28.8Very low36.1Very low103 Ų103133 Ų13372%0.7272%0.716SS**  trans-66.5100.6176.657.70000110.3Q147Q147-S149 PolarHBondContact O-N 2.7Å
150N27.1Very low35.7Very low134 Ų134135.1 Ų135.172%0.71773%0.732SS**  trans-113107.5170.4-166.972.4000109.1Q148 T152Q148-N150 PolarHBondContact O-N 3.25Å; N150-T152 PolarHBondContact O-N 3.31Å
151P29.6Very low35.1Very low118 Ų118133.1 Ų133.177%0.76674%0.738SS**  trans-92.698.7-169.233.9-33000112.7
152T33.6Very low35.3Very low106 Ų106135.4 Ų135.465%0.6574%0.743SS**  trans-150.7150.8165.1-0.10000113.6N150N150-T152 PolarHBondContact O-N 3.31Å
153D33.7Very low34.7Very low149 Ų149139.6 Ų139.680%0.79777%0.77SS**  trans62.872.6158.5-54.5-21.3000118.8
154I35.5Very low34.8Very low165 Ų165139 Ų13985%0.84677%0.77SS**  trans-67.7125.8152.63.6173.5000110.3
155T41.4Very low35.2Very low135 Ų135136.8 Ų136.883%0.82877%0.765SS**  trans-173.7115.4147.37.50000112.9
156P37.4Very low35.8Very low121 Ų121136.4 Ų136.479%0.78677%0.772SS**  trans-96.2112.5169.133.4-27.5000111
157L39.4Very low36.3Very low167 Ų167134 Ų13487%0.87477%0.768SS**  trans-93113.4-180-170.160.7000113
158V45.1Very low36.8Very low121 Ų121131.2 Ų131.273%0.73376%0.763SS**  trans-36.4137.5174.9-174.30000116
159N33.8Very low37.5Very low153 Ų153127.3 Ų127.382%0.81875%0.753SS**  trans-62.3144.9171.2-64.9-14.2000113.1
160T41.5Very low38.3Very low134 Ų134128.5 Ų128.582%0.82275%0.751SS**  trans-148.4136.9159.1-69.10000109.5
161A35.4Very low39.1Very low93 Ų93131.1 Ų131.177%0.76976%0.756SS**  trans-121128-171.600000112.5
162I41.5Very low40.2Very low153 Ų153131 Ų13179%0.78576%0.756SS**  trans-144.899169.9-59.8-176.2000106
163T39.6Very low40.8Very low118 Ų118130.9 Ų130.972%0.72476%0.757SS**  89.59881.8-60.90000114.2
164S39.1Very low41Very low89 Ų89131 Ų13162%0.62276%0.757SS**  trans44130.4150.963.80000122.5
165N39.6Very low41.1Very low138 Ų138130 Ų13074%0.73875%0.753SS**  -173.9113.3106-90.9-20.5000115.3
166T41.1Very low40.8Very low110 Ų110130.3 Ų130.368%0.67575%0.749SS**  trans42.3148.1134.958.20000124.2
167N41.1Very low40.9Very low145 Ų145130.3 Ų130.378%0.77575%0.747SS**  trans80.7130.7152.9-66.8-7.3000118.2
168T41.4Very low40.7Very low113 Ų113127 Ų12769%0.69374%0.739SS**  cis-157.6151.9-9.6-29.20000110.2
169T42.8Very low40.5Very low109 Ų109127.9 Ų127.967%0.66974%0.739SS**  trans27.3123.115250.90000119.5
170N45.5Very low41Very low128 Ų128126.6 Ų126.668%0.68473%0.732SS**  -174.416457.3-102.3-30.1000112.6
171F43.1Very low41.2Very low189 Ų189126.6 Ų126.683%0.82973%0.731SS**  trans68.4133173.8-56.6-70.3000117.3
172P53.7Low41.5Very low116 Ų116132.4 Ų132.475%0.75374%0.735SS**  trans-84.4143.8-178.933.8-34.2000112.4
173P44.6Very low41.4Very low103 Ų103128.2 Ų128.267%0.66972%0.724SS**  trans-72.3143.8167.730.6-32.9000110.7L175P173-L175 HydrophobicContact CG-CD1 3.97Å; P173-L175 PolarHBondContact O-N 3.42Å
174N39Very low41.6Very low150 Ų150129 Ų12980%0.80273%0.728SS**  trans-80.3100.1169-175.61.8000108.9N176N174-N176 VanDerWaalsContact C-N 3.29Å; N174-N176 PolarHBondContact O-N 3.23Å
175L36.9Very low41.6Very low145 Ų145135 Ų13576%0.75974%0.737SS**  trans-73.582.1176.2-78.590.2000110.8P173P173-L175 HydrophobicContact CG-CD1 3.97Å; P173-L175 PolarHBondContact O-N 3.42Å
176N35.8Very low41.4Very low141 Ų141135.5 Ų135.575%0.75474%0.739SS**  trans-117.964.3162.2-169.727.4000109.5N174N174-N176 VanDerWaalsContact C-N 3.29Å; N174-N176 PolarHBondContact O-N 3.23Å
177T38.2Very low41.3Very low121 Ų121138.6 Ų138.674%0.74275%0.746SS**  trans-153.154.3-179.2-33.60000111.3
178S35.4Very low41.4Very low99 Ų99142.7 Ų142.769%0.69275%0.751SS**  trans-142.387.3175.4-680000110.1
179N42Very low41.7Very low138 Ų138144.1 Ų144.174%0.73875%0.753SS**SBendtrans-174.3-34.2157-92.2-28.7000112V181 Y182N179-V181 VanDerWaalsContact C-N 3.26Å; N179-V181 PolarHBondContact O-N 2.93Å; N179-Y182 PolarHBondContact O-N 3.01Å
180D44.7Very low42.5Very low126 Ų126142.6 Ų142.667%0.67474%0.743SS**THydrogen-bonded Turntrans-71.4-6.2-162.9-52.5-63.9000116.7
181V45Very low43.5Very low134 Ų134139.4 Ų139.481%0.81273%0.726SS**THydrogen-bonded Turntrans-90.4-17-177.6-176.60000112.9N179N179-V181 VanDerWaalsContact C-N 3.26Å; N179-V181 PolarHBondContact O-N 2.93Å
182Y42.2Very low44.8Very low215 Ų215132.6 Ų132.684%0.84370%0.701SS**THydrogen-bonded Turntrans-100.6-9.2177.3-67.1-72.9000114.1N179 V184N179-Y182 PolarHBondContact O-N 3.01Å; Y182-V184 PolarHBondContact O-N 2.86Å
183A38.2Very low46Very low66 Ų66129.2 Ų129.255%0.54567%0.673SS.*SBendtrans-72.6-24.2-179.100000114R185A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 2.78Å; A183-R185 VanDerWaalsContact O-N 3.14Å
184V44.2Very low47.5Very low134 Ų134126 Ų12681%0.81266%0.656SS**THydrogen-bonded Turntrans-91.746.4-171.7-1610000112.4Y182Y182-V184 PolarHBondContact O-N 2.86Å
185R39.1Very low49.6Very low215 Ų215119.7 Ų119.781%0.81162%0.622SS**THydrogen-bonded Turntrans-14312.3168.3-144.4-178.7176.5101.6-0.6115.7A183 Q187A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 2.78Å; A183-R185 VanDerWaalsContact O-N 3.14Å; R185-Q187 PolarHBondContact O-N 3.16Å
186N35.5Very low51.9Low148 Ų148115.7 Ų115.779%0.79160%0.604SS**  trans-80.341.5178.1-76.8-7.5000114.4R188N186-R188 PolarHBondContact O-N 3.47Å
187Q39Very low54.1Low176 Ų176112.4 Ų112.482%0.82259%0.592SS**SBendtrans-65.1116.9149-76.3-176-10.700105.9R185 I189R185-Q187 PolarHBondContact O-N 3.16Å; Q187-I189 PolarHBondContact O-N 2.88Å
188R42.8Very low56.3Low231 Ų231113 Ų11387%0.87259%0.59SS**  trans-58.3109.3-177.5-56.1-173.8-149.2-178.17.3108.5N186 V190N186-R188 PolarHBondContact O-N 3.47Å; R188-V190 PolarHBondContact O-N 3.31Å
189I47.9Very low58.8Low143 Ų143109.8 Ų109.873%0.73356%0.564SS**  trans-7287.1168.5-56.1177.2000105.6Q187 D191Q187-I189 PolarHBondContact O-N 2.88Å; I189-D191 PolarHBondContact O-N 2.96Å; I189-D191 VanDerWaalsContact O-N 3.12Å
190V59.7Low61Low77 Ų77104.9 Ų104.947%0.46754%0.537SS..  trans-61.5109.4157.5-178.80000104.4R188 P192R188-V190 PolarHBondContact O-N 3.31Å; V190-P192 WeakPolarHBondContact O-CD 3.39Å
191D67.3Low63Low60 Ų60101 Ų10132%0.32152%0.523SS..  trans-53.6127.2173.4-171.3-40000107.2I189 W193 A194I189-D191 PolarHBondContact O-N 2.96Å; I189-D191 VanDerWaalsContact O-N 3.12Å; D191-W193 PolarHBondContact O-N 2.9Å; D191-W193 WeakPolarHBondContact OD1-CB 3.35Å; D191-W193 VanDerWaalsContact OD1-CD1 3.25Å; D191-W193 PolarHBondContact OD1-N 3.08Å; D191-A194 HydrophobicContact CB-CB 4.16Å; D191-A194 WeakPolarHBondContact O-CB 3.3Å; D191-A194 PolarHBondContact O-N 3.1Å
192P70.7Confident65.2Low46 Ų4698.3 Ų98.330%0.29950%0.498SS..THydrogen-bonded Turntrans-43.1-40.9173.3-32.737.8000112.9F145 V190 A194 Y266F145-P192 HydrophobicContact CD2-CG 4.23Å; F145-P192 HydrophobicContact CE2-CG 4.46Å; V190-P192 WeakPolarHBondContact O-CD 3.39Å; P192-A194 VanDerWaalsContact C-N 3.29Å; P192-A194 PolarHBondContact O-N 3.34Å; P192-Y266 VanDerWaalsContact C-OH 3.26Å; P192-Y266 WeakPolarHBondContact CA-OH 3.41Å; P192-Y266 HydrophobicContact CB-CE1 4Å; P192-Y266 VanDerWaalsContact CB-OH 3.26Å; P192-Y266 WeakPolarHBondContact CB-OH 3.48Å; P192-Y266 VanDerWaalsContact O-CE2 3.32Å; P192-Y266 WeakPolarHBondContact O-CE2 3.43Å; P192-Y266 PolarHBondContact O-OH 3.37Å
193W78.1Confident67.6Low45 Ų4588.3 Ų88.317%0.1746%0.459CS..THydrogen-bonded Turntrans-83.12.2-175.6-51.6110.7000114.3D191 V195 L263 Y266 P274 P278 V280 L281D191-W193 PolarHBondContact O-N 2.9Å; D191-W193 WeakPolarHBondContact OD1-CB 3.35Å; D191-W193 VanDerWaalsContact OD1-CD1 3.25Å; D191-W193 PolarHBondContact OD1-N 3.08Å; W193-V195 PolarHBondContact O-N 3.49Å; W193-L263 HydrophobicContact CZ3-CD2 4.02Å; W193-Y266 HydrophobicContact CE3-CD1 4.1Å; W193-Y266 HydrophobicContact CE3-CD2 4.42Å; W193-Y266 HydrophobicContact CE3-CE1 4.3Å; W193-Y266 HydrophobicContact CE3-CG 4.23Å; W193-Y266 AromaticContact CH2-CD1 3.64Å; W193-Y266 HydrophobicContact CH2-CD1 3.64Å; W193-Y266 HydrophobicContact CH2-CE1 4.21Å; W193-Y266 HydrophobicContact CH2-CG 4.23Å; W193-Y266 HydrophobicContact CZ2-CD1 4.49Å; W193-Y266 AromaticContact CZ3-CD1 3.42Å; W193-Y266 HydrophobicContact CZ3-CD1 3.42Å; W193-Y266 VanDerWaalsContact CZ3-CD1 3.42Å; W193-Y266 HydrophobicContact CZ3-CD2 4.21Å; W193-Y266 HydrophobicContact CZ3-CE1 4.02Å; W193-Y266 AromaticContact CZ3-CG 3.59Å; W193-Y266 HydrophobicContact CZ3-CG 3.59Å; W193-P274 HydrophobicContact CH2-CG 4.02Å; W193-P274 HydrophobicContact CZ2-CB 4.49Å; W193-P274 HydrophobicContact CZ2-CG 4.29Å; W193-P278 HydrophobicContact CB-CB 4.33Å; W193-P278 HydrophobicContact CD2-CB 4.4Å; W193-P278 HydrophobicContact CD2-CG 3.76Å; W193-P278 HydrophobicContact CE3-CG 4.42Å; W193-P278 HydrophobicContact CG-CB 3.91Å; W193-P278 HydrophobicContact CG-CG 3.81Å; W193-P278 HydrophobicContact CZ2-CG 4.36Å; W193-V280 HydrophobicContact CB-CB 4.39Å; W193-L281 HydrophobicContact CB-CG 4.15Å; W193-L281 HydrophobicContact CE3-CD1 4.01Å; W193-L281 VanDerWaalsContact O-CD2 3.23Å; W193-L281 WeakPolarHBondContact O-CD2 3.22Å
194A77.1Confident70.1Confident37 Ų3786.3 Ų86.331%0.30644%0.439SS..  trans-82.3106.9177.800000111.8D191 P192 T196 V280D191-A194 HydrophobicContact CB-CB 4.16Å; D191-A194 WeakPolarHBondContact O-CB 3.3Å; D191-A194 PolarHBondContact O-N 3.1Å; P192-A194 VanDerWaalsContact C-N 3.29Å; P192-A194 PolarHBondContact O-N 3.34Å; A194-T196 PolarHBondContact O-N 2.83Å; A194-V280 HydrophobicContact CB-CG1 4.24Å
195V81.6Confident72.3Confident16 Ų1682.2 Ų82.210%0.09742%0.416CS..  trans-73.8118.7-179.6-170.80000111.6W193 Q199 K200 Y203 H262 L281 L284W193-V195 PolarHBondContact O-N 3.49Å; V195-Q199 HydrophobicContact CG1-CB 3.58Å; V195-K200 HydrophobicContact CB-CG 4.27Å; V195-K200 HydrophobicContact CG1-CG 3.71Å; V195-Y203 HydrophobicContact CG1-CD2 4.02Å; V195-Y203 HydrophobicContact CG1-CE2 3.54Å; V195-H262 HydrophobicContact CG2-CB 4.23Å; V195-L281 HydrophobicContact CG2-CD2 3.87Å; V195-L284 HydrophobicContact CB-CD1 4.27Å; V195-L284 HydrophobicContact CB-CD2 3.91Å; V195-L284 HydrophobicContact CG2-CD1 4.15Å; V195-L284 HydrophobicContact CG2-CD2 3.35Å; V195-L284 HydrophobicContact CG2-CG 4.38Å
196T84.8Confident74.9Confident62 Ų6272.2 Ų72.238%0.3838%0.379SS..  trans-70.8160-17775.80000112.4A194 D198 Q199 K200A194-T196 PolarHBondContact O-N 2.83Å; T196-D198 PolarHBondContact O-N 2.88Å; T196-Q199 WeakPolarHBondContact O-CB 3.47Å; T196-Q199 PolarHBondContact O-N 3.11Å; T196-Q199 VanDerWaalsContact O-N 3.11Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.17Å; T196-Q199 PolarHBondContact OG1-N 3.17Å; T196-K200 WeakPolarHBondContact O-CG 3.38Å; T196-K200 PolarHBondContact O-N 2.62Å
197S81.9Confident77.6Confident72 Ų7265.2 Ų65.250%0.50334%0.341SS..Hα-helixtrans-57.1-36.9178.8-170.70000112.9K200 A201S197-K200 PolarHBondContact O-N 2.93Å; S197-A201 WeakPolarHBondContact O-CB 3.21Å; S197-A201 PolarHBondContact O-N 3.2Å
198D85.7Confident80.1Confident132 Ų13260 Ų6071%0.70632%0.319SS*.Hα-helixtrans-71.8-37.9178.7-54.4-51.1000111.4T196 Y202T196-D198 PolarHBondContact O-N 2.88Å; D198-Y202 VanDerWaalsContact O-CB 3.29Å; D198-Y202 WeakPolarHBondContact O-CB 3.46Å; D198-Y202 PolarHBondContact O-N 2.96Å
199Q87.4Confident82.4Confident32 Ų3255 Ų5515%0.1530%0.3CS..Hα-helixtrans-63.4-45171-72.7171.2-19.300110.9V195 T196 A201 Y202 Y203V195-Q199 HydrophobicContact CG1-CB 3.58Å; T196-Q199 WeakPolarHBondContact O-CB 3.47Å; T196-Q199 PolarHBondContact O-N 3.11Å; T196-Q199 VanDerWaalsContact O-N 3.11Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.17Å; T196-Q199 PolarHBondContact OG1-N 3.17Å; Q199-A201 PolarHBondContact O-N 2.94Å; Q199-Y202 PolarHBondContact O-N 2.87Å; Q199-Y203 HydrophobicContact CB-CE1 4.38Å; Q199-Y203 HydrophobicContact CB-CE2 4.13Å; Q199-Y203 WeakPolarHBondContact O-CB 3.49Å; Q199-Y203 WeakPolarHBondContact O-CD1 3.29Å; Q199-Y203 PolarHBondContact O-N 3.41Å
200K87.6Confident84.4Confident35 Ų3550.2 Ų50.215%0.15228%0.276CS..Hα-helixtrans-59.9-46.7177.4-67.1-157174.2-170.70111.9V195 T196 S197 Y202 Y203 L204 T287 W289V195-K200 HydrophobicContact CB-CG 4.27Å; V195-K200 HydrophobicContact CG1-CG 3.71Å; T196-K200 WeakPolarHBondContact O-CG 3.38Å; T196-K200 PolarHBondContact O-N 2.62Å; S197-K200 PolarHBondContact O-N 2.93Å; K200-Y202 VanDerWaalsContact C-N 3.34Å; K200-Y202 PolarHBondContact O-N 2.86Å; K200-Y203 PolarHBondContact O-N 3.24Å; K200-L204 WeakPolarHBondContact O-CB 3.32Å; K200-L204 PolarHBondContact O-N 2.69Å; K200-T287 PolarHBondContact NZ-OG1 3.29Å; K200-W289 HydrophobicContact CB-CE3 4.02Å; K200-W289 HydrophobicContact CB-CZ3 3.68Å; K200-W289 HydrophobicContact CD-CE3 3.95Å; K200-W289 HydrophobicContact CD-CH2 4.06Å; K200-W289 HydrophobicContact CD-CZ3 3.59Å; K200-W289 HydrophobicContact CG-CE3 4.12Å; K200-W289 HydrophobicContact CG-CH2 4.11Å; K200-W289 HydrophobicContact CG-CZ3 3.46Å; K200-W289 VanDerWaalsContact CG-CZ3 3.46Å
201A87.6Confident85.9Confident46 Ų4648.7 Ų48.738%0.3826%0.263SS..Hα-helixtrans-62.3-40.1175.700000112.2S197 Q199 S205S197-A201 WeakPolarHBondContact O-CB 3.21Å; S197-A201 PolarHBondContact O-N 3.2Å; Q199-A201 PolarHBondContact O-N 2.94Å; A201-S205 PolarHBondContact O-N 2.93Å; A201-S205 VanDerWaalsContact O-N 3.08Å
202Y90.1Very high86.9Confident77 Ų7750.7 Ų50.730%0.30228%0.279SS..Hα-helixtrans-66.1-46.9175.9-177.7-111.6000112.3F138 D198 Q199 K200 L204 S205 Q206F138-Y202 AromaticContact CD1-CE1 3.68Å; F138-Y202 HydrophobicContact CD1-CE1 3.68Å; F138-Y202 WeakPolarHBondContact CD2-OH 3.35Å; F138-Y202 AromaticContact CE1-CE1 3.67Å; F138-Y202 HydrophobicContact CE1-CE1 3.67Å; F138-Y202 VanDerWaalsContact CE2-OH 3.22Å; F138-Y202 WeakPolarHBondContact CE2-OH 3.27Å; F138-Y202 HydrophobicContact CG-CE1 4.14Å; F138-Y202 HydrophobicContact CZ-CE1 4.17Å; F138-Y202 WeakPolarHBondContact CZ-OH 3.09Å; D198-Y202 VanDerWaalsContact O-CB 3.29Å; D198-Y202 WeakPolarHBondContact O-CB 3.46Å; D198-Y202 PolarHBondContact O-N 2.96Å; Q199-Y202 PolarHBondContact O-N 2.87Å; K200-Y202 VanDerWaalsContact C-N 3.34Å; K200-Y202 PolarHBondContact O-N 2.86Å; Y202-L204 PolarHBondContact O-N 2.73Å; Y202-S205 CarbonylContact O-C 3.56Å; Y202-S205 WeakPolarHBondContact O-CA 3.45Å; Y202-S205 WeakPolarHBondContact O-CB 3.49Å; Y202-S205 PolarHBondContact O-N 3.23Å; Y202-S205 VanDerWaalsContact O-N 3.1Å; Y202-S205 PolarHBondContact O-OG 2.75Å; Y202-Q206 HydrophobicContact CD1-CG 4.3Å; Y202-Q206 HydrophobicContact CE1-CG 4Å; Y202-Q206 WeakPolarHBondContact O-CG 3.45Å; Y202-Q206 PolarHBondContact O-N 2.98Å
203Y92.8Very high87.9Confident4 Ų452.1 Ų52.12%0.01629%0.285CS..Hα-helixtrans-63.3-41179.3-58.8-15.8000111.9V195 Q199 K200 S205 Q206 F207 C258 M261 H262 V265V195-Y203 HydrophobicContact CG1-CD2 4.02Å; V195-Y203 HydrophobicContact CG1-CE2 3.54Å; Q199-Y203 HydrophobicContact CB-CE1 4.38Å; Q199-Y203 HydrophobicContact CB-CE2 4.13Å; Q199-Y203 WeakPolarHBondContact O-CB 3.49Å; Q199-Y203 WeakPolarHBondContact O-CD1 3.29Å; Q199-Y203 PolarHBondContact O-N 3.41Å; K200-Y203 PolarHBondContact O-N 3.24Å; Y203-S205 VanDerWaalsContact C-N 3.32Å; Y203-S205 PolarHBondContact O-N 3.15Å; Y203-Q206 WeakPolarHBondContact O-CA 3.32Å; Y203-Q206 WeakPolarHBondContact O-CB 3.26Å; Y203-Q206 PolarHBondContact O-N 2.87Å; Y203-F207 PolarHBondContact O-N 3.31Å; Y203-C258 VanDerWaalsContact CB-SG 3.53Å; Y203-C258 HydrophobicContact CD2-CB 4.22Å; Y203-M261 HydrophobicContact CD1-CB 4.35Å; Y203-M261 HydrophobicContact CD1-CG 3.28Å; Y203-M261 HydrophobicContact CD1-SD 4.43Å; Y203-M261 HydrophobicContact CD2-CB 4.44Å; Y203-M261 HydrophobicContact CD2-CG 4.15Å; Y203-M261 HydrophobicContact CE1-CG 3.48Å; Y203-M261 VanDerWaalsContact CE1-CG 3.48Å; Y203-M261 HydrophobicContact CE2-CG 4.32Å; Y203-M261 HydrophobicContact CG-CB 4.29Å; Y203-M261 HydrophobicContact CG-CG 3.65Å; Y203-H262 HydrophobicContact CE2-CB 3.9Å; Y203-H262 AromaticContact CE2-ND1 3.93Å; Y203-H262 AromaticContact CZ-ND1 3.94Å; Y203-H262 PolarHBondContact OH-ND1 3.08Å; Y203-V265 HydrophobicContact CE1-CG2 4.5Å
204L91.2Very high88.3Confident24 Ų2453 Ų5313%0.12629%0.292CS..Hα-helixtrans-57.9-43170.8175.859.7000111.8K200 Y202 Q206 F207 L208 I214 L254K200-L204 WeakPolarHBondContact O-CB 3.32Å; K200-L204 PolarHBondContact O-N 2.69Å; Y202-L204 PolarHBondContact O-N 2.73Å; L204-Q206 PolarHBondContact O-N 3.14Å; L204-F207 PolarHBondContact O-N 2.84Å; L204-L208 HydrophobicContact CD1-CD1 4Å; L204-L208 HydrophobicContact CD1-CG 4.16Å; L204-L208 HydrophobicContact CG-CD1 4.01Å; L204-L208 WeakPolarHBondContact O-CB 3.19Å; L204-L208 WeakPolarHBondContact O-CG 3.31Å; L204-L208 PolarHBondContact O-N 3.43Å; L204-I214 HydrophobicContact CD1-CD1 4.35Å; L204-I214 HydrophobicContact CD1-CG1 4.47Å; L204-L254 HydrophobicContact CD1-CD1 3.84Å; L204-L254 HydrophobicContact CD1-CD2 3.78Å
205S91.5Very high88.7Confident48 Ų4856.3 Ų56.334%0.33631%0.313SS..Hα-helixtrans-66-25.7173.282.10000113.2A201 Y202 Y203 R209A201-S205 PolarHBondContact O-N 2.93Å; A201-S205 VanDerWaalsContact O-N 3.08Å; Y202-S205 CarbonylContact O-C 3.56Å; Y202-S205 WeakPolarHBondContact O-CA 3.45Å; Y202-S205 WeakPolarHBondContact O-CB 3.49Å; Y202-S205 PolarHBondContact O-N 3.23Å; Y202-S205 VanDerWaalsContact O-N 3.1Å; Y202-S205 PolarHBondContact O-OG 2.75Å; Y203-S205 VanDerWaalsContact C-N 3.32Å; Y203-S205 PolarHBondContact O-N 3.15Å; S205-R209 WeakPolarHBondContact O-CD 3.24Å; S205-R209 WeakPolarHBondContact O-CG 3.14Å; S205-R209 PolarHBondContact O-NE 2.8Å
206Q92.1Very high89.1Confident6 Ų657 Ų573%0.02832%0.318CS..Hα-helixtrans-72.4-47.8174.1-58.9-44.3-86.400110.5F138 Y202 Y203 L204 R209 F257 M261F138-Q206 HydrophobicContact CE1-CG 4.1Å; F138-Q206 HydrophobicContact CZ-CG 4.19Å; F138-Q206 VanDerWaalsContact CZ-OE1 3.3Å; Y202-Q206 HydrophobicContact CD1-CG 4.3Å; Y202-Q206 HydrophobicContact CE1-CG 4Å; Y202-Q206 WeakPolarHBondContact O-CG 3.45Å; Y202-Q206 PolarHBondContact O-N 2.98Å; Y203-Q206 WeakPolarHBondContact O-CA 3.32Å; Y203-Q206 WeakPolarHBondContact O-CB 3.26Å; Y203-Q206 PolarHBondContact O-N 2.87Å; L204-Q206 PolarHBondContact O-N 3.14Å; Q206-R209 VanDerWaalsContact CD-CZ 3.47Å; Q206-R209 PolarHBondContact O-N 3.22Å; Q206-R209 PolarHBondContact O-NH2 3.29Å; Q206-R209 VanDerWaalsContact OE1-NH1 3.1Å; Q206-F257 HydrophobicContact CB-CE1 4.06Å; Q206-F257 HydrophobicContact CB-CZ 4.18Å; Q206-M261 HydrophobicContact CB-CE 3.74Å; Q206-M261 HydrophobicContact CG-CE 3.91Å
207F92.7Very high89.4Confident0 Ų056 Ų560%031%0.309CS..Hα-helixtrans-56.6-51.6176.7-172.1-91.3000111.8Y203 L204 R209 L210 Q211 L218 L254 F257Y203-F207 PolarHBondContact O-N 3.31Å; L204-F207 PolarHBondContact O-N 2.84Å; F207-R209 PolarHBondContact O-N 2.86Å; F207-L210 PolarHBondContact O-N 3.47Å; F207-Q211 HydrophobicContact CD1-CB 4.49Å; F207-Q211 HydrophobicContact CE1-CB 4.02Å; F207-Q211 HydrophobicContact CE1-CG 4.12Å; F207-Q211 HydrophobicContact CZ-CB 4.18Å; F207-Q211 HydrophobicContact CZ-CG 4.22Å; F207-Q211 PolarHBondContact O-N 3.22Å; F207-L218 HydrophobicContact CE2-CB 3.9Å; F207-L218 HydrophobicContact CZ-CB 4.43Å; F207-L254 HydrophobicContact CB-CD1 3.81Å; F207-L254 HydrophobicContact CD1-CD1 4.06Å; F207-L254 HydrophobicContact CD2-CD1 4.15Å; F207-L254 HydrophobicContact CE1-CB 4.48Å; F207-L254 HydrophobicContact CE2-CB 4.46Å; F207-L254 HydrophobicContact CG-CD1 3.75Å; F207-L254 HydrophobicContact CZ-CB 4.38Å; F207-F257 HydrophobicContact CB-CD1 3.83Å; F207-F257 HydrophobicContact CB-CE1 3.83Å; F207-F257 HydrophobicContact CD2-CB 3.74Å; F207-F257 AromaticContact CD2-CD1 3.67Å; F207-F257 HydrophobicContact CD2-CD1 3.67Å; F207-F257 HydrophobicContact CD2-CD2 4.3Å; F207-F257 HydrophobicContact CD2-CE1 4.32Å; F207-F257 AromaticContact CD2-CG 3.64Å; F207-F257 HydrophobicContact CD2-CG 3.64Å; F207-F257 HydrophobicContact CE2-CB 4.07Å; F207-F257 HydrophobicContact CE2-CG 4.38Å; F207-F257 HydrophobicContact CG-CD1 4.25Å
208L92Very high90Very high66 Ų6652.6 Ų52.635%0.34629%0.285SS..THydrogen-bonded Turntrans-59.1-15.1-177.3-81.7171.1000115.8L204 Q211 P212 I214L204-L208 HydrophobicContact CD1-CD1 4Å; L204-L208 HydrophobicContact CD1-CG 4.16Å; L204-L208 HydrophobicContact CG-CD1 4.01Å; L204-L208 WeakPolarHBondContact O-CB 3.19Å; L204-L208 WeakPolarHBondContact O-CG 3.31Å; L204-L208 PolarHBondContact O-N 3.43Å; L208-Q211 WeakPolarHBondContact CA-O 3.31Å; L208-P212 WeakPolarHBondContact CD2-O 3.31Å; L208-I214 HydrophobicContact CD2-CD1 4.11Å; L208-I214 HydrophobicContact CD2-CG1 3.59Å; L208-I214 HydrophobicContact CG-CG1 4.36Å
209R90.4Very high90.4Very high127 Ų12748.7 Ų48.748%0.47927%0.268SS..THydrogen-bonded Turntrans-93.7-16.1175-59.9166.1-52.5146.830.5113.2S205 Q206 F207S205-R209 WeakPolarHBondContact O-CD 3.24Å; S205-R209 WeakPolarHBondContact O-CG 3.14Å; S205-R209 PolarHBondContact O-NE 2.8Å; Q206-R209 VanDerWaalsContact CD-CZ 3.47Å; Q206-R209 PolarHBondContact O-N 3.22Å; Q206-R209 PolarHBondContact O-NH2 3.29Å; Q206-R209 VanDerWaalsContact OE1-NH1 3.1Å; F207-R209 PolarHBondContact O-N 2.86Å
210L91.2Very high90.6Very high43 Ų4347.2 Ų47.223%0.22526%0.261CS..THydrogen-bonded Turntrans-95.3-45.1175.2-56.8174.1000109.9F207 L218 F226 F257F207-L210 PolarHBondContact O-N 3.47Å; L210-L218 HydrophobicContact CB-CD1 3.66Å; L210-L218 HydrophobicContact CB-CD2 4.35Å; L210-L218 HydrophobicContact CD1-CD2 3.83Å; L210-F226 HydrophobicContact CD1-CB 3.94Å; L210-F226 HydrophobicContact CD1-CD1 3.8Å; L210-F226 HydrophobicContact CD1-CD2 3.77Å; L210-F226 HydrophobicContact CD1-CE1 4.29Å; L210-F226 HydrophobicContact CD1-CE2 4.25Å; L210-F226 HydrophobicContact CD1-CG 3.52Å; L210-F226 HydrophobicContact CD1-CZ 4.49Å; L210-F226 HydrophobicContact CD2-CB 4.23Å; L210-F226 HydrophobicContact CD2-CD2 3.71Å; L210-F226 HydrophobicContact CD2-CE2 4.42Å; L210-F226 HydrophobicContact CD2-CG 4.1Å; L210-F226 HydrophobicContact CG-CD2 4.27Å; L210-F226 HydrophobicContact CG-CG 4.43Å; L210-F257 HydrophobicContact CD1-CE2 3.76Å; L210-F257 HydrophobicContact CD1-CZ 3.88Å
211Q90.6Very high90.9Very high44 Ų4450.9 Ų50.921%0.20628%0.282CS..  trans-132.2105.6179.8-177.664.7-76.100108.8F207 L208 D213 S216 K217 L218F207-Q211 HydrophobicContact CD1-CB 4.49Å; F207-Q211 HydrophobicContact CE1-CB 4.02Å; F207-Q211 HydrophobicContact CE1-CG 4.12Å; F207-Q211 HydrophobicContact CZ-CB 4.18Å; F207-Q211 HydrophobicContact CZ-CG 4.22Å; F207-Q211 PolarHBondContact O-N 3.22Å; L208-Q211 WeakPolarHBondContact CA-O 3.31Å; Q211-D213 VanDerWaalsContact C-N 3.27Å; Q211-D213 PolarHBondContact O-N 3.41Å; Q211-S216 WeakPolarHBondContact CG-OG 3.47Å; Q211-S216 PolarHBondContact NE2-OG 3.38Å; Q211-K217 PolarHBondContact NE2-O 2.94Å; Q211-L218 HydrophobicContact CB-CD1 3.96Å
212P89Confident91.1Very high102 Ų10253.3 Ų53.366%0.66229%0.285SS*.SBendtrans-71.6-16.8-175.527.8-35.6000114.2L208L208-P212 WeakPolarHBondContact CD2-O 3.31Å
213D89.7Confident91.2Very high77 Ų7749.6 Ų49.641%0.41227%0.271SS..  trans-96109.6174.1177.54.8000111.2Q211 S215 S216Q211-D213 VanDerWaalsContact C-N 3.27Å; Q211-D213 PolarHBondContact O-N 3.41Å; D213-S215 VanDerWaalsContact CG-OG 3.31Å; D213-S215 PolarHBondContact O-N 3.26Å; D213-S215 WeakPolarHBondContact OD1-CB 3.43Å; D213-S215 PolarHBondContact OD1-N 2.97Å; D213-S215 PolarHBondContact OD1-OG 3.15Å; D213-S215 PolarHBondContact OD2-OG 3.41Å; D213-S216 PolarHBondContact O-N 2.88Å; D213-S216 VanDerWaalsContact O-N 3.15Å; D213-S216 PolarHBondContact O-OG 3.01Å
214I86.8Confident91.2Very high64 Ų6450.5 Ų50.533%0.32828%0.275SS..THydrogen-bonded Turntrans-56.6-29.2178.1-60.6176.4000112.9L204 L208 L254 L290L204-I214 HydrophobicContact CD1-CD1 4.35Å; L204-I214 HydrophobicContact CD1-CG1 4.47Å; L208-I214 HydrophobicContact CD2-CD1 4.11Å; L208-I214 HydrophobicContact CD2-CG1 3.59Å; L208-I214 HydrophobicContact CG-CG1 4.36Å; I214-L254 HydrophobicContact CG2-CD2 3.96Å; I214-L290 HydrophobicContact CD1-CD2 4.15Å
215S86.4Confident91.3Very high105 Ų10553.1 Ų53.173%0.73429%0.292SS*.THydrogen-bonded Turntrans-85.8-14.8-177.371.90000113.9D213D213-S215 VanDerWaalsContact CG-OG 3.31Å; D213-S215 PolarHBondContact O-N 3.26Å; D213-S215 WeakPolarHBondContact OD1-CB 3.43Å; D213-S215 PolarHBondContact OD1-N 2.97Å; D213-S215 PolarHBondContact OD1-OG 3.15Å; D213-S215 PolarHBondContact OD2-OG 3.41Å
216S89.7Confident91.4Very high30 Ų3051.2 Ų51.221%0.2128%0.278CS..SBendtrans-89.2154.4178.471.30000111.8Q211 D213Q211-S216 WeakPolarHBondContact CG-OG 3.47Å; Q211-S216 PolarHBondContact NE2-OG 3.38Å; D213-S216 PolarHBondContact O-N 2.88Å; D213-S216 VanDerWaalsContact O-N 3.15Å; D213-S216 PolarHBondContact O-OG 3.01Å
217K91.7Very high91.5Very high42 Ų4251.1 Ų51.118%0.18328%0.277CS..PPolyproline II helixtrans-80.1153.3172.5-65.2-156.6178.5-154.90111.5Q211 D247 D249 Q251 T253 E256Q211-K217 PolarHBondContact NE2-O 2.94Å; K217-D247 IonicContact NZ-OD1 2.73Å; K217-D247 PolarHBondContact NZ-OD1 2.92Å; K217-D247 IonicContact NZ-OD2 2.69Å; K217-D247 PolarHBondContact NZ-OD2 3.05Å; K217-D249 WeakPolarHBondContact CE-OD2 3.42Å; K217-D249 IonicContact NZ-OD1 3.14Å; K217-D249 PolarHBondContact NZ-OD1 3.38Å; K217-D249 IonicContact NZ-OD2 3.55Å; K217-D249 PolarHBondContact NZ-OD2 2.95Å; K217-Q251 HydrophobicContact CB-CB 3.72Å; K217-Q251 HydrophobicContact CD-CB 3.66Å; K217-Q251 HydrophobicContact CG-CB 4.37Å; K217-T253 HydrophobicContact CD-CG2 4.08Å; K217-T253 HydrophobicContact CG-CG2 3.89Å; K217-E256 IonicContact NZ-OE2 3.84Å
218L93.3Very high91.5Very high0 Ų054.6 Ų54.60%029%0.294CS..EExtended strand (participates in β ladder)trans-92.4120.9171.5-178.268.9000109.5F207 L210 Q211 Q222 S223 Q251 L252 F257F207-L218 HydrophobicContact CE2-CB 3.9Å; F207-L218 HydrophobicContact CZ-CB 4.43Å; L210-L218 HydrophobicContact CB-CD1 3.66Å; L210-L218 HydrophobicContact CB-CD2 4.35Å; L210-L218 HydrophobicContact CD1-CD2 3.83Å; Q211-L218 HydrophobicContact CB-CD1 3.96Å; L218-Q222 HydrophobicContact CD1-CB 3.96Å; L218-Q222 HydrophobicContact CG-CB 4.47Å; L218-S223 VanDerWaalsContact CD2-OG 3.26Å; L218-S223 WeakPolarHBondContact CD2-OG 3.22Å; L218-S223 WeakPolarHBondContact CG-OG 3.41Å; L218-Q251 CarbonylContact O-C 3.55Å; L218-Q251 WeakPolarHBondContact O-CA 3.42Å; L218-Q251 WeakPolarHBondContact O-CB 3.46Å; L218-L252 PolarHBondContact N-O 2.83Å; L218-L252 PolarHBondContact O-N 3.35Å; L218-F257 HydrophobicContact CD2-CD2 3.56Å; L218-F257 HydrophobicContact CD2-CE2 3.74Å; L218-F257 HydrophobicContact CD2-CG 4.48Å
219S93.8Very high91.5Very high51 Ų5154.1 Ų54.136%0.35729%0.291SS..EExtended strand (participates in β ladder)trans-62.9138.4-175.7179.20000112.2L221 Q222 S223S219-L221 PolarHBondContact O-N 3.45Å; S219-L221 VanDerWaalsContact O-N 3.08Å; S219-Q222 WeakPolarHBondContact O-CA 3.25Å; S219-Q222 WeakPolarHBondContact O-CB 3.32Å; S219-Q222 PolarHBondContact O-N 2.63Å; S219-S223 PolarHBondContact O-N 3.39Å; S219-S223 PolarHBondContact O-OG 2.99Å
220G93.1Very high91.6Very high1 Ų148.3 Ų48.31%0.0127%0.27CS..Hα-helixtrans-52.2-33.5-17900000115.1S223 K224 W241 G250G220-S223 PolarHBondContact O-N 3.08Å; G220-K224 VanDerWaalsContact O-CB 3.24Å; G220-K224 WeakPolarHBondContact O-CB 3Å; G220-K224 PolarHBondContact O-N 3.42Å; G220-W241 VanDerWaalsContact CA-CH2 3.49Å; G220-G250 VanDerWaalsContact CA-O 3.31Å; G220-G250 WeakPolarHBondContact CA-O 3.39Å; G220-G250 PolarHBondContact N-O 3.35Å; G220-G250 VanDerWaalsContact N-O 3.08Å
221L92.3Very high91.6Very high111 Ų11152.9 Ų52.958%0.58130%0.295SS*.Hα-helixtrans-67.2-41.5174.3-178.261.4000112.7S219 T225S219-L221 PolarHBondContact O-N 3.45Å; S219-L221 VanDerWaalsContact O-N 3.08Å; L221-T225 PolarHBondContact O-N 3.19Å; L221-T225 VanDerWaalsContact O-N 3.1Å; L221-T225 PolarHBondContact O-OG1 3.02Å
222Q92.7Very high91.7Very high97 Ų9751.9 Ų51.945%0.45329%0.29SS..Hα-helixtrans-68.2-41.5176.2-67.2178.1-36.200111L218 S219 F226L218-Q222 HydrophobicContact CD1-CB 3.96Å; L218-Q222 HydrophobicContact CG-CB 4.47Å; S219-Q222 WeakPolarHBondContact O-CA 3.25Å; S219-Q222 WeakPolarHBondContact O-CB 3.32Å; S219-Q222 PolarHBondContact O-N 2.63Å; Q222-F226 WeakPolarHBondContact O-CB 3.34Å; Q222-F226 PolarHBondContact O-N 3.4Å
223S93.1Very high91.9Very high0 Ų050.1 Ų50.10%028%0.279CS..Hα-helixtrans-61.1-46.5174.3-59.80000111.9L218 S219 G220 F226 F227L218-S223 VanDerWaalsContact CD2-OG 3.26Å; L218-S223 WeakPolarHBondContact CD2-OG 3.22Å; L218-S223 WeakPolarHBondContact CG-OG 3.41Å; S219-S223 PolarHBondContact O-N 3.39Å; S219-S223 PolarHBondContact O-OG 2.99Å; G220-S223 PolarHBondContact O-N 3.08Å; S223-F226 PolarHBondContact O-N 3.26Å; S223-F227 WeakPolarHBondContact O-CD2 3.36Å; S223-F227 WeakPolarHBondContact O-CG 3.34Å; S223-F227 PolarHBondContact O-N 2.97Å
224K92.4Very high92Very high22 Ų2249 Ų4910%0.09628%0.277CS..Hα-helixtrans-55.3-58.1175.7171.9164.4169.7147.70111S10 W11 Q13 F14 G220 F226 F227 E228S10-K224 VanDerWaalsContact O-CD 3.27Å; S10-K224 WeakPolarHBondContact O-CD 3.44Å; S10-K224 PolarHBondContact O-NZ 3.39Å; W11-K224 HydrophobicContact CH2-CB 4.29Å; W11-K224 HydrophobicContact CH2-CG 4.44Å; W11-K224 HydrophobicContact CZ2-CB 3.69Å; W11-K224 HydrophobicContact CZ2-CG 4.26Å; Q13-K224 PolarHBondContact O-NZ 2.95Å; F14-K224 HydrophobicContact CD2-CD 4.35Å; F14-K224 HydrophobicContact CE2-CD 3.47Å; F14-K224 VanDerWaalsContact CE2-CD 3.47Å; F14-K224 HydrophobicContact CE2-CG 3.84Å; F14-K224 HydrophobicContact CZ-CD 3.78Å; F14-K224 HydrophobicContact CZ-CG 3.84Å; G220-K224 VanDerWaalsContact O-CB 3.24Å; G220-K224 WeakPolarHBondContact O-CB 3Å; G220-K224 PolarHBondContact O-N 3.42Å; K224-F226 PolarHBondContact O-N 3.11Å; K224-F227 PolarHBondContact O-N 3.02Å; K224-F227 VanDerWaalsContact O-N 3.11Å; K224-E228 WeakPolarHBondContact CE-OE1 3.35Å; K224-E228 HydrophobicContact CG-CG 4.29Å; K224-E228 WeakPolarHBondContact CG-OE1 3.46Å; K224-E228 WeakPolarHBondContact O-CB 3.24Å; K224-E228 VanDerWaalsContact O-CG 3.26Å; K224-E228 WeakPolarHBondContact O-CG 3.45Å; K224-E228 PolarHBondContact O-N 3.2Å
225T92.7Very high92.4Very high79 Ų7950 Ų5049%0.48529%0.29SS..Hα-helixtrans-62-26.4179-59.50000113.5L221 E228 L229L221-T225 PolarHBondContact O-N 3.19Å; L221-T225 VanDerWaalsContact O-N 3.1Å; L221-T225 PolarHBondContact O-OG1 3.02Å; T225-E228 WeakPolarHBondContact CA-OE2 3.26Å; T225-L229 WeakPolarHBondContact O-CG 3.09Å
226F93.4Very high92.7Very high9 Ų947 Ų474%0.03927%0.265CS..Hα-helixtrans-75.1-44.8172.1175.8-100.4000113W135 F138 L210 Q222 S223 K224 L229 F257 M261W135-F226 AromaticContact CH2-CE1 3.8Å; W135-F226 HydrophobicContact CH2-CE1 3.8Å; W135-F226 HydrophobicContact CH2-CZ 4.05Å; W135-F226 HydrophobicContact CZ2-CD1 4.21Å; W135-F226 AromaticContact CZ2-CE1 3.6Å; W135-F226 HydrophobicContact CZ2-CE1 3.6Å; W135-F226 HydrophobicContact CZ2-CE2 4.23Å; W135-F226 AromaticContact CZ2-CZ 3.62Å; W135-F226 HydrophobicContact CZ2-CZ 3.62Å; F138-F226 HydrophobicContact CZ-CZ 4.47Å; L210-F226 HydrophobicContact CD1-CB 3.94Å; L210-F226 HydrophobicContact CD1-CD1 3.8Å; L210-F226 HydrophobicContact CD1-CD2 3.77Å; L210-F226 HydrophobicContact CD1-CE1 4.29Å; L210-F226 HydrophobicContact CD1-CE2 4.25Å; L210-F226 HydrophobicContact CD1-CG 3.52Å; L210-F226 HydrophobicContact CD1-CZ 4.49Å; L210-F226 HydrophobicContact CD2-CB 4.23Å; L210-F226 HydrophobicContact CD2-CD2 3.71Å; L210-F226 HydrophobicContact CD2-CE2 4.42Å; L210-F226 HydrophobicContact CD2-CG 4.1Å; L210-F226 HydrophobicContact CG-CD2 4.27Å; L210-F226 HydrophobicContact CG-CG 4.43Å; Q222-F226 WeakPolarHBondContact O-CB 3.34Å; Q222-F226 PolarHBondContact O-N 3.4Å; S223-F226 PolarHBondContact O-N 3.26Å; K224-F226 PolarHBondContact O-N 3.11Å; F226-L229 WeakPolarHBondContact O-CB 3.48Å; F226-L229 PolarHBondContact O-N 3.43Å; F226-F257 AromaticContact CD1-CE2 3.97Å; F226-F257 HydrophobicContact CD1-CE2 3.97Å; F226-F257 HydrophobicContact CD1-CZ 4.23Å; F226-F257 HydrophobicContact CE1-CE2 4.04Å; F226-F257 AromaticContact CE1-CZ 3.85Å; F226-F257 HydrophobicContact CE1-CZ 3.85Å; F226-M261 HydrophobicContact CE1-CE 3.52Å; F226-M261 HydrophobicContact CZ-CE 3.86Å
227F94.4Very high93Very high4 Ų445.8 Ų45.82%0.01826%0.256CS..Hα-helixtrans-76-29.2-178-68.2-54.8000113.3W135 S223 K224 L229 S230 L237 L252 F257 A260 M261 V264W135-F227 HydrophobicContact CH2-CD1 4.12Å; S223-F227 WeakPolarHBondContact O-CD2 3.36Å; S223-F227 WeakPolarHBondContact O-CG 3.34Å; S223-F227 PolarHBondContact O-N 2.97Å; K224-F227 PolarHBondContact O-N 3.02Å; K224-F227 VanDerWaalsContact O-N 3.11Å; F227-L229 PolarHBondContact O-N 2.91Å; F227-S230 VanDerWaalsContact O-CB 3.25Å; F227-S230 WeakPolarHBondContact O-CB 3.44Å; F227-S230 PolarHBondContact O-N 3.13Å; F227-S230 PolarHBondContact O-OG 3.13Å; F227-L237 HydrophobicContact CB-CD2 4.09Å; F227-L252 HydrophobicContact CE2-CD1 3.91Å; F227-L252 HydrophobicContact CZ-CD1 4.47Å; F227-F257 HydrophobicContact CE1-CE2 4.21Å; F227-F257 HydrophobicContact CE2-CD2 4.31Å; F227-F257 HydrophobicContact CE2-CE2 4.39Å; F227-F257 AromaticContact CZ-CD2 3.74Å; F227-F257 HydrophobicContact CZ-CD2 3.74Å; F227-F257 AromaticContact CZ-CE2 3.69Å; F227-F257 HydrophobicContact CZ-CE2 3.69Å; F227-A260 HydrophobicContact CE1-CB 4.36Å; F227-A260 HydrophobicContact CE2-CB 3.95Å; F227-A260 HydrophobicContact CZ-CB 3.59Å; F227-M261 HydrophobicContact CE1-CE 4.4Å; F227-V264 HydrophobicContact CD1-CG2 3.96Å; F227-V264 HydrophobicContact CE1-CG2 4.3Å
228E93.3Very high93.1Very high73 Ų7344.9 Ų44.934%0.34126%0.255SS..Hα-helixtrans-52.8-36.9170.8-78.3169165.200112F14 K224 T225 S230 N231F14-E228 HydrophobicContact CE1-CG 4.43Å; F14-E228 HydrophobicContact CZ-CG 3.93Å; F14-E228 WeakPolarHBondContact CZ-OE1 3.41Å; K224-E228 WeakPolarHBondContact CE-OE1 3.35Å; K224-E228 HydrophobicContact CG-CG 4.29Å; K224-E228 WeakPolarHBondContact CG-OE1 3.46Å; K224-E228 WeakPolarHBondContact O-CB 3.24Å; K224-E228 VanDerWaalsContact O-CG 3.26Å; K224-E228 WeakPolarHBondContact O-CG 3.45Å; K224-E228 PolarHBondContact O-N 3.2Å; T225-E228 WeakPolarHBondContact CA-OE2 3.26Å; E228-S230 PolarHBondContact O-N 3.39Å; E228-S230 VanDerWaalsContact O-N 3.08Å; E228-N231 PolarHBondContact O-N 3.35Å
229L91.7Very high93.1Very high55 Ų5547.7 Ų47.729%0.28827%0.267SS..THydrogen-bonded Turntrans-63.4-14.5178.2-63171.7000114.1L132 W135 T225 F226 F227 N231L132-L229 HydrophobicContact CB-CD1 3.84Å; L132-L229 HydrophobicContact CD1-CD1 4.31Å; W135-L229 VanDerWaalsContact NE1-C 3.33Å; W135-L229 PolarHBondContact NE1-O 3.47Å; T225-L229 WeakPolarHBondContact O-CG 3.09Å; F226-L229 WeakPolarHBondContact O-CB 3.48Å; F226-L229 PolarHBondContact O-N 3.43Å; F227-L229 PolarHBondContact O-N 2.91Å; L229-N231 PolarHBondContact O-N 3.08Å; L229-N231 PolarHBondContact O-ND2 3.01Å; L229-N231 VanDerWaalsContact O-ND2 3.07Å
230S91.8Very high93.1Very high5 Ų545.4 Ų45.44%0.03525%0.251CS..THydrogen-bonded Turntrans-70.1-16.2173710000113.1F227 E228 L232F227-S230 VanDerWaalsContact O-CB 3.25Å; F227-S230 WeakPolarHBondContact O-CB 3.44Å; F227-S230 PolarHBondContact O-N 3.13Å; F227-S230 PolarHBondContact O-OG 3.13Å; E228-S230 PolarHBondContact O-N 3.39Å; E228-S230 VanDerWaalsContact O-N 3.08Å; S230-L232 PolarHBondContact O-N 3.36Å; S230-L232 PolarHBondContact OG-N 2.9Å
231N92Very high93.2Very high140 Ų14046.1 Ų46.175%0.74925%0.253SS*.  trans62.222.9-173.2-45.2-90.1000113.9E228 L229E228-N231 PolarHBondContact O-N 3.35Å; L229-N231 PolarHBondContact O-N 3.08Å; L229-N231 PolarHBondContact O-ND2 3.01Å; L229-N231 VanDerWaalsContact O-ND2 3.07Å
232L92.6Very high93.2Very high22 Ų2246.5 Ų46.512%0.11525%0.252CS..  trans-73.7149.2165.6-68.9-177000110.9S230 L237 I240 V264 R267 L268S230-L232 PolarHBondContact O-N 3.36Å; S230-L232 PolarHBondContact OG-N 2.9Å; L232-L237 HydrophobicContact CB-CD1 4.4Å; L232-L237 HydrophobicContact CB-CD2 3.8Å; L232-L237 HydrophobicContact CB-CG 3.88Å; L232-L237 HydrophobicContact CD1-CD2 4.01Å; L232-L237 HydrophobicContact CG-CD2 4.47Å; L232-I240 HydrophobicContact CD1-CD1 4.09Å; L232-V264 HydrophobicContact CD1-CB 4.27Å; L232-V264 HydrophobicContact CD1-CG1 3.87Å; L232-V264 HydrophobicContact CD1-CG2 4.21Å; L232-R267 HydrophobicContact CD1-CB 3.96Å; L232-R267 HydrophobicContact CD1-CG 3.98Å; L232-R267 HydrophobicContact CD2-CB 4.31Å; L232-R267 HydrophobicContact CD2-CG 3.7Å; L232-L268 HydrophobicContact CD2-CD2 3.77Å; L232-L268 HydrophobicContact CD2-CG 4.24Å; L232-L268 HydrophobicContact CG-CD2 4.11Å; L232-L268 HydrophobicContact CG-CG 4.44Å
233P93.6Very high93.2Very high65 Ų6542.8 Ų42.842%0.42224%0.235SC..  trans-59.3143.8176.3-22.833000113S235 E236 L237P233-S235 VanDerWaalsContact C-N 3.27Å; P233-S235 PolarHBondContact O-N 3.37Å; P233-E236 HydrophobicContact CB-CB 4.42Å; P233-E236 HydrophobicContact CB-CG 4.2Å; P233-E236 HydrophobicContact CG-CG 4.22Å; P233-E236 WeakPolarHBondContact O-CA 3.39Å; P233-E236 WeakPolarHBondContact O-CB 3.13Å; P233-E236 PolarHBondContact O-N 3.13Å; P233-L237 PolarHBondContact O-N 3.32Å
234S92.3Very high93.2Very high54 Ų5442.8 Ų42.838%0.37824%0.235SC..Hα-helixtrans-46.3-45.5177-51.90000114.1F14 L237 S238F14-S234 WeakPolarHBondContact CD1-OG 3.31Å; S234-L237 PolarHBondContact O-N 2.92Å; S234-S238 PolarHBondContact O-N 3.27Å
235S93.7Very high93.3Very high86 Ų8641.9 Ų41.960%0.60123%0.231SC*.Hα-helixtrans-70.2-28.9179.652.10000113.6P233 K239P233-S235 VanDerWaalsContact C-N 3.27Å; P233-S235 PolarHBondContact O-N 3.37Å; S235-K239 PolarHBondContact O-N 3.28Å
236E93.8Very high93.1Very high42 Ų4241.3 Ų41.320%0.19623%0.225CC..Hα-helixtrans-76.2-37.6172.8-66.5-168.5172.400111.2P233 K239 I240 R267 I273P233-E236 HydrophobicContact CB-CB 4.42Å; P233-E236 HydrophobicContact CB-CG 4.2Å; P233-E236 HydrophobicContact CG-CG 4.22Å; P233-E236 WeakPolarHBondContact O-CA 3.39Å; P233-E236 WeakPolarHBondContact O-CB 3.13Å; P233-E236 PolarHBondContact O-N 3.13Å; E236-K239 PolarHBondContact O-N 3.02Å; E236-I240 VanDerWaalsContact O-CG1 3.31Å; E236-I240 WeakPolarHBondContact O-CG1 3.32Å; E236-I240 PolarHBondContact O-N 3.22Å; E236-R267 IonicContact OE1-CZ 2.78Å; E236-R267 IonicContact OE1-NE 2.65Å; E236-R267 PolarHBondContact OE1-NE 2.97Å; E236-R267 VanDerWaalsContact OE1-NE 3.14Å; E236-R267 IonicContact OE1-NH2 2.82Å; E236-R267 PolarHBondContact OE1-NH2 3.47Å; E236-R267 WeakPolarHBondContact OE2-CG 3.25Å; E236-R267 IonicContact OE2-CZ 3.26Å; E236-R267 IonicContact OE2-NE 2.7Å; E236-R267 PolarHBondContact OE2-NE 3Å; E236-R267 IonicContact OE2-NH2 2.77Å; E236-I273 HydrophobicContact CB-CD1 3.69Å; E236-I273 HydrophobicContact CG-CD1 4.13Å
237L95.1Very high92.9Very high4 Ų445.5 Ų45.52%0.02125%0.248CC..Hα-helixtrans-67.6-39.2174.6-67.8179.6000112.2W11 F227 L232 P233 S234 I240 W241 V264W11-L237 HydrophobicContact CH2-CB 3.89Å; W11-L237 HydrophobicContact CZ3-CB 3.52Å; F227-L237 HydrophobicContact CB-CD2 4.09Å; L232-L237 HydrophobicContact CB-CD1 4.4Å; L232-L237 HydrophobicContact CB-CD2 3.8Å; L232-L237 HydrophobicContact CB-CG 3.88Å; L232-L237 HydrophobicContact CD1-CD2 4.01Å; L232-L237 HydrophobicContact CG-CD2 4.47Å; P233-L237 PolarHBondContact O-N 3.32Å; S234-L237 PolarHBondContact O-N 2.92Å; L237-I240 PolarHBondContact O-N 2.9Å; L237-W241 PolarHBondContact O-N 2.69Å; L237-V264 HydrophobicContact CD2-CG2 4.27Å
238S93.9Very high92.7Very high23 Ų2350.7 Ų50.716%0.16127%0.272CS..Hα-helixtrans-61.2-45.2171.8-166.30000111.5S234 I240 W241 E242S234-S238 PolarHBondContact O-N 3.27Å; S238-I240 VanDerWaalsContact C-N 3.29Å; S238-I240 PolarHBondContact O-N 3.36Å; S238-W241 WeakPolarHBondContact O-CA 3.47Å; S238-W241 VanDerWaalsContact O-CB 3.3Å; S238-W241 WeakPolarHBondContact O-CB 3.31Å; S238-W241 PolarHBondContact O-N 2.86Å; S238-W241 VanDerWaalsContact O-N 3.08Å; S238-E242 WeakPolarHBondContact O-CG 3.38Å; S238-E242 PolarHBondContact O-N 2.88Å; S238-E242 PolarHBondContact OG-OE1 2.97Å
239K93.7Very high92.7Very high58 Ų5849.8 Ų49.825%0.25227%0.269SS..Hα-helixtrans-61.5-37.5175.6-170.3-174.4-177.1-166.90112.3S235 E236 L243 I273 P274 N275S235-K239 PolarHBondContact O-N 3.28Å; E236-K239 PolarHBondContact O-N 3.02Å; K239-L243 HydrophobicContact CG-CD1 4.11Å; K239-L243 WeakPolarHBondContact O-CB 3.36Å; K239-L243 WeakPolarHBondContact O-CD1 3.25Å; K239-L243 WeakPolarHBondContact O-CG 3.4Å; K239-L243 PolarHBondContact O-N 2.95Å; K239-I273 HydrophobicContact CD-CB 4.31Å; K239-I273 HydrophobicContact CD-CG2 3.85Å; K239-I273 HydrophobicContact CG-CG2 4.13Å; K239-I273 PolarHBondContact NZ-O 2.93Å; K239-P274 WeakPolarHBondContact CE-O 3.41Å; K239-P274 PolarHBondContact NZ-O 3.26Å; K239-N275 PolarHBondContact NZ-OD1 3.06Å
240I94.3Very high92.7Very high4 Ų447.3 Ų47.32%0.02126%0.257CS..Hα-helixtrans-66.3-41.7173.8-71.4170.7000110.6L232 E236 L237 S238 L243 S244 A260 L263 V264 I273L232-I240 HydrophobicContact CD1-CD1 4.09Å; E236-I240 VanDerWaalsContact O-CG1 3.31Å; E236-I240 WeakPolarHBondContact O-CG1 3.32Å; E236-I240 PolarHBondContact O-N 3.22Å; L237-I240 PolarHBondContact O-N 2.9Å; S238-I240 VanDerWaalsContact C-N 3.29Å; S238-I240 PolarHBondContact O-N 3.36Å; I240-L243 PolarHBondContact O-N 3.36Å; I240-S244 VanDerWaalsContact O-CB 3.31Å; I240-S244 WeakPolarHBondContact O-CB 3.34Å; I240-S244 PolarHBondContact O-N 3.19Å; I240-S244 PolarHBondContact O-OG 3.48Å; I240-A260 HydrophobicContact CG2-CB 4.11Å; I240-L263 HydrophobicContact CD1-CB 4.3Å; I240-L263 HydrophobicContact CG1-CB 4.04Å; I240-L263 HydrophobicContact CG2-CB 3.99Å; I240-L263 HydrophobicContact CG2-CD1 4.26Å; I240-V264 HydrophobicContact CD1-CG2 3.79Å; I240-V264 HydrophobicContact CG2-CG2 4.23Å; I240-I273 HydrophobicContact CD1-CD1 3.77Å; I240-I273 HydrophobicContact CD1-CG1 4.07Å; I240-I273 HydrophobicContact CG1-CD1 3.78Å; I240-I273 HydrophobicContact CG1-CG1 3.99Å; I240-I273 HydrophobicContact CG1-CG2 4.12Å
241W93.6Very high92.8Very high15 Ų1550.6 Ų50.66%0.05727%0.272CS..Hα-helixtrans-55.9-56.8174.9-176.5-85.7000111.2W11 G220 L237 S238 L243 S244 D245 L252W11-W241 AromaticContact CD1-CD2 3.63Å; W11-W241 AromaticContact CD1-CE2 3.81Å; W11-W241 AromaticContact CD1-CG 3.81Å; W11-W241 HydrophobicContact CD2-CB 3.99Å; W11-W241 HydrophobicContact CD2-CD2 4.23Å; W11-W241 HydrophobicContact CD2-CE3 4.48Å; W11-W241 AromaticContact CD2-CG 3.99Å; W11-W241 HydrophobicContact CD2-CG 3.99Å; W11-W241 AromaticContact CE2-CD2 3.61Å; W11-W241 AromaticContact CE2-CE3 3.46Å; W11-W241 VanDerWaalsContact CE2-CE3 3.46Å; W11-W241 AromaticContact CE2-CG 3.84Å; W11-W241 HydrophobicContact CE3-CB 4.25Å; W11-W241 HydrophobicContact CG-CB 4.42Å; W11-W241 HydrophobicContact CG-CD2 4.28Å; W11-W241 HydrophobicContact CG-CG 4.03Å; W11-W241 HydrophobicContact CZ2-CB 4.35Å; W11-W241 HydrophobicContact CZ2-CD2 4.15Å; W11-W241 AromaticContact CZ2-CE3 3.58Å; W11-W241 HydrophobicContact CZ2-CE3 3.58Å; W11-W241 HydrophobicContact CZ2-CG 4.48Å; W11-W241 HydrophobicContact CZ2-CZ3 4.32Å; W11-W241 AromaticContact NE1-CD2 3.15Å; W11-W241 AromaticContact NE1-CE2 3.64Å; W11-W241 AromaticContact NE1-CE3 3.18Å; W11-W241 AromaticContact NE1-CG 3.67Å; W11-W241 AromaticContact NE1-CZ3 3.68Å; G220-W241 VanDerWaalsContact CA-CH2 3.49Å; L237-W241 PolarHBondContact O-N 2.69Å; S238-W241 WeakPolarHBondContact O-CA 3.47Å; S238-W241 VanDerWaalsContact O-CB 3.3Å; S238-W241 WeakPolarHBondContact O-CB 3.31Å; S238-W241 PolarHBondContact O-N 2.86Å; S238-W241 VanDerWaalsContact O-N 3.08Å; W241-L243 PolarHBondContact O-N 2.83Å; W241-L243 VanDerWaalsContact O-N 3.09Å; W241-S244 PolarHBondContact O-N 3.2Å; W241-S244 PolarHBondContact O-OG 3.35Å; W241-D245 HydrophobicContact CZ2-CB 4.12Å; W241-D245 PolarHBondContact NE1-OD2 3.46Å; W241-D245 PolarHBondContact O-N 2.89Å; W241-L252 HydrophobicContact CE3-CD1 4.21Å; W241-L252 HydrophobicContact CE3-CD2 4.34Å; W241-L252 HydrophobicContact CE3-CG 4.43Å; W241-L252 HydrophobicContact CH2-CD1 4.14Å; W241-L252 HydrophobicContact CH2-CD2 3.74Å; W241-L252 HydrophobicContact CH2-CG 3.58Å; W241-L252 HydrophobicContact CZ2-CD2 4.11Å; W241-L252 HydrophobicContact CZ2-CG 4.42Å; W241-L252 HydrophobicContact CZ3-CD1 3.58Å; W241-L252 HydrophobicContact CZ3-CD2 3.86Å; W241-L252 HydrophobicContact CZ3-CG 3.58Å
242E93.5Very high92.9Very high119 Ų11944 Ų4456%0.55624%0.236SC*.Hα-helixtrans-56.9-25.9-179.9-68.7159.4-134.900113.9S238S238-E242 WeakPolarHBondContact O-CG 3.38Å; S238-E242 PolarHBondContact O-N 2.88Å; S238-E242 PolarHBondContact OG-OE1 2.97Å
243L92.3Very high92.9Very high20 Ų2045 Ų4511%0.10524%0.244CC..THydrogen-bonded Turntrans-91.4-6176.7-70.1169.9000114.2K239 I240 W241 L263 I273 P274K239-L243 HydrophobicContact CG-CD1 4.11Å; K239-L243 WeakPolarHBondContact O-CB 3.36Å; K239-L243 WeakPolarHBondContact O-CD1 3.25Å; K239-L243 WeakPolarHBondContact O-CG 3.4Å; K239-L243 PolarHBondContact O-N 2.95Å; I240-L243 PolarHBondContact O-N 3.36Å; W241-L243 PolarHBondContact O-N 2.83Å; W241-L243 VanDerWaalsContact O-N 3.09Å; L243-L263 HydrophobicContact CB-CD1 4Å; L243-I273 HydrophobicContact CD1-CG2 3.66Å; L243-P274 VanDerWaalsContact CD1-O 3.27Å; L243-P274 WeakPolarHBondContact CD1-O 3.47Å
244S92.9Very high92.8Very high0 Ų042.5 Ų42.50%023%0.227CC..THydrogen-bonded Turntrans-121.6-33.1-172.666.60000114.2I240 W241 L246 E256I240-S244 VanDerWaalsContact O-CB 3.31Å; I240-S244 WeakPolarHBondContact O-CB 3.34Å; I240-S244 PolarHBondContact O-N 3.19Å; I240-S244 PolarHBondContact O-OG 3.48Å; W241-S244 PolarHBondContact O-N 3.2Å; W241-S244 PolarHBondContact O-OG 3.35Å; S244-L246 PolarHBondContact O-N 3.07Å; S244-E256 WeakPolarHBondContact O-CB 3.36Å; S244-E256 WeakPolarHBondContact O-CG 3.36Å
245D93.7Very high92.8Very high3 Ų340.7 Ų40.72%0.01621%0.214CC..  trans-76.393.3169.6179.4-0.2000108W241 H248 D249 G250 L252W241-D245 HydrophobicContact CZ2-CB 4.12Å; W241-D245 PolarHBondContact NE1-OD2 3.46Å; W241-D245 PolarHBondContact O-N 2.89Å; D245-H248 PolarHBondContact O-CE1 3.35Å; D245-H248 VanDerWaalsContact O-CE1 3.27Å; D245-H248 PolarHBondContact O-ND1 3.02Å; D245-H248 WeakPolarHBondContact OD1-CA 3.5Å; D245-H248 PolarHBondContact OD1-N 3.23Å; D245-D249 PolarHBondContact OD1-N 3.45Å; D245-G250 PolarHBondContact OD2-N 2.94Å; D245-L252 HydrophobicContact CB-CD2 3.99Å
246L89Confident92.7Very high67 Ų6736.9 Ų36.935%0.35119%0.187SC..SBendtrans-91.6-25.6-166.8-68.5176.4000113.5S244 E256 I259 L277 L282 V285S244-L246 PolarHBondContact O-N 3.07Å; L246-E256 HydrophobicContact CG-CG 4.47Å; L246-E256 PolarHBondContact N-OE1 3.3Å; L246-I259 HydrophobicContact CD1-CD1 4.1Å; L246-L277 HydrophobicContact CD1-CD2 4.49Å; L246-L277 HydrophobicContact CD2-CD2 4.11Å; L246-L282 HydrophobicContact CD1-CD2 3.98Å; L246-L282 HydrophobicContact CD2-CD2 4.31Å; L246-V285 HydrophobicContact CD1-CG2 3.48Å; L246-V285 VanDerWaalsContact CD1-CG2 3.48Å
247D90.2Very high92.8Very high97 Ų9734.9 Ų34.952%0.51918%0.177SC..SBendtrans-93.8-3.5169.87116000113.7K217 D249K217-D247 IonicContact NZ-OD1 2.73Å; K217-D247 PolarHBondContact NZ-OD1 2.92Å; K217-D247 IonicContact NZ-OD2 2.69Å; K217-D247 PolarHBondContact NZ-OD2 3.05Å; D247-D249 VanDerWaalsContact C-N 3.28Å; D247-D249 PolarHBondContact O-N 3.12Å; D247-D249 WeakPolarHBondContact OD1-CB 3.23Å; D247-D249 PolarHBondContact OD1-N 2.99Å
248H90.4Very high92.6Very high113 Ų11334.7 Ų34.752%0.52318%0.176SC..  trans60.729.5176.7-60-24000113.7D245D245-H248 PolarHBondContact O-CE1 3.35Å; D245-H248 VanDerWaalsContact O-CE1 3.27Å; D245-H248 PolarHBondContact O-ND1 3.02Å; D245-H248 WeakPolarHBondContact OD1-CA 3.5Å; D245-H248 PolarHBondContact OD1-N 3.23Å
249D93.1Very high92.5Very high53 Ų5333.6 Ų33.628%0.28317%0.169SC..SBendtrans-84.8-4.9179.197.6-31.1000114.7K217 D245 D247 Q251K217-D249 WeakPolarHBondContact CE-OD2 3.42Å; K217-D249 IonicContact NZ-OD1 3.14Å; K217-D249 PolarHBondContact NZ-OD1 3.38Å; K217-D249 IonicContact NZ-OD2 3.55Å; K217-D249 PolarHBondContact NZ-OD2 2.95Å; D245-D249 PolarHBondContact OD1-N 3.45Å; D247-D249 VanDerWaalsContact C-N 3.28Å; D247-D249 PolarHBondContact O-N 3.12Å; D247-D249 WeakPolarHBondContact OD1-CB 3.23Å; D247-D249 PolarHBondContact OD1-N 2.99Å; D249-Q251 WeakPolarHBondContact OD1-CA 3.39Å; D249-Q251 VanDerWaalsContact OD1-CB 3.29Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.43Å; D249-Q251 PolarHBondContact OD1-N 2.86Å; D249-Q251 VanDerWaalsContact OD1-O 3.13Å; D249-Q251 PolarHBondContact OD2-NE2 3.12Å
250G92.1Very high92.5Very high3 Ų330.9 Ų30.93%0.03116%0.157CC..SBendtrans81.216.9-179.600000114.2G220 D245G220-G250 VanDerWaalsContact CA-O 3.31Å; G220-G250 WeakPolarHBondContact CA-O 3.39Å; G220-G250 PolarHBondContact N-O 3.35Å; G220-G250 VanDerWaalsContact N-O 3.08Å; D245-G250 PolarHBondContact OD2-N 2.94Å
251Q93.7Very high92.5Very high75 Ų7530.7 Ų30.735%0.3516%0.156SC..EExtended strand (participates in β ladder)trans-140154.2176.8-42.2175.797.800109.4K217 L218 D249K217-Q251 HydrophobicContact CB-CB 3.72Å; K217-Q251 HydrophobicContact CD-CB 3.66Å; K217-Q251 HydrophobicContact CG-CB 4.37Å; L218-Q251 CarbonylContact O-C 3.55Å; L218-Q251 WeakPolarHBondContact O-CA 3.42Å; L218-Q251 WeakPolarHBondContact O-CB 3.46Å; D249-Q251 WeakPolarHBondContact OD1-CA 3.39Å; D249-Q251 VanDerWaalsContact OD1-CB 3.29Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.43Å; D249-Q251 PolarHBondContact OD1-N 2.86Å; D249-Q251 VanDerWaalsContact OD1-O 3.13Å; D249-Q251 PolarHBondContact OD2-NE2 3.12Å
252L93.7Very high92.4Very high0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-108.9123.5179.9-55.8179.2000111.1L218 F227 W241 D245 E256 F257 A260L218-L252 PolarHBondContact N-O 2.83Å; L218-L252 PolarHBondContact O-N 3.35Å; F227-L252 HydrophobicContact CE2-CD1 3.91Å; F227-L252 HydrophobicContact CZ-CD1 4.47Å; W241-L252 HydrophobicContact CE3-CD1 4.21Å; W241-L252 HydrophobicContact CE3-CD2 4.34Å; W241-L252 HydrophobicContact CE3-CG 4.43Å; W241-L252 HydrophobicContact CH2-CD1 4.14Å; W241-L252 HydrophobicContact CH2-CD2 3.74Å; W241-L252 HydrophobicContact CH2-CG 3.58Å; W241-L252 HydrophobicContact CZ2-CD2 4.11Å; W241-L252 HydrophobicContact CZ2-CG 4.42Å; W241-L252 HydrophobicContact CZ3-CD1 3.58Å; W241-L252 HydrophobicContact CZ3-CD2 3.86Å; W241-L252 HydrophobicContact CZ3-CG 3.58Å; D245-L252 HydrophobicContact CB-CD2 3.99Å; L252-E256 HydrophobicContact CB-CB 4.15Å; L252-E256 HydrophobicContact CD2-CB 4.03Å; L252-F257 HydrophobicContact CB-CB 4.09Å; L252-F257 HydrophobicContact CD1-CB 4.4Å; L252-F257 HydrophobicContact CD1-CD2 4.41Å; L252-A260 HydrophobicContact CD1-CB 4.21Å
253T92.9Very high92.3Very high45 Ų4524.4 Ų24.428%0.27613%0.127SC..  trans-63.9170.3160.161.30000110.8K217 S255 E256 F257K217-T253 HydrophobicContact CD-CG2 4.08Å; K217-T253 HydrophobicContact CG-CG2 3.89Å; T253-S255 VanDerWaalsContact C-N 3.26Å; T253-S255 PolarHBondContact O-N 2.81Å; T253-E256 VanDerWaalsContact CB-OE2 3.24Å; T253-E256 WeakPolarHBondContact CB-OE2 3.5Å; T253-E256 VanDerWaalsContact CG2-OE2 3.22Å; T253-E256 WeakPolarHBondContact CG2-OE2 3.41Å; T253-E256 PolarHBondContact N-OE2 3.07Å; T253-E256 PolarHBondContact O-N 3.47Å; T253-E256 VanDerWaalsContact OG1-CG 3.31Å; T253-E256 WeakPolarHBondContact OG1-CG 3.37Å; T253-E256 PolarHBondContact OG1-N 2.86Å; T253-E256 PolarHBondContact OG1-OE2 3.45Å; T253-F257 WeakPolarHBondContact O-CB 3.42Å; T253-F257 PolarHBondContact O-N 3.12Å
254L91.5Very high92.4Very high12 Ų1223.4 Ų23.46%0.06312%0.122CC..Hα-helixtrans-53.5-43.3172.6174.364.7000112.4L204 F207 I214 C258 W289L204-L254 HydrophobicContact CD1-CD1 3.84Å; L204-L254 HydrophobicContact CD1-CD2 3.78Å; F207-L254 HydrophobicContact CB-CD1 3.81Å; F207-L254 HydrophobicContact CD1-CD1 4.06Å; F207-L254 HydrophobicContact CD2-CD1 4.15Å; F207-L254 HydrophobicContact CE1-CB 4.48Å; F207-L254 HydrophobicContact CE2-CB 4.46Å; F207-L254 HydrophobicContact CG-CD1 3.75Å; F207-L254 HydrophobicContact CZ-CB 4.38Å; I214-L254 HydrophobicContact CG2-CD2 3.96Å; L254-C258 WeakPolarHBondContact O-CB 3.32Å; L254-C258 PolarHBondContact O-N 2.96Å; L254-C258 PolarHBondContact O-SG 2.86Å; L254-W289 HydrophobicContact CD2-CB 3.57Å; L254-W289 HydrophobicContact CD2-CD2 4.36Å; L254-W289 HydrophobicContact CD2-CG 3.69Å; L254-W289 HydrophobicContact CG-CB 4.49Å; L254-W289 HydrophobicContact CG-CD2 4.4Å; L254-W289 HydrophobicContact CG-CG 4.12Å
255S90.8Very high92.3Very high16 Ų1623.7 Ų23.711%0.11212%0.123CC..Hα-helixtrans-61.1-48.9179.6-69.90000111.9T253 C258 I259 V285 W289T253-S255 VanDerWaalsContact C-N 3.26Å; T253-S255 PolarHBondContact O-N 2.81Å; S255-C258 PolarHBondContact O-N 2.97Å; S255-I259 WeakPolarHBondContact O-CG1 3.44Å; S255-I259 PolarHBondContact O-N 2.74Å; S255-V285 PolarHBondContact OG-O 3.23Å; S255-W289 PolarHBondContact OG-NE1 2.81Å
256E93.5Very high92.1Very high6 Ų624.1 Ų24.13%0.02813%0.125CC..Hα-helixtrans-67.1-42.2-178.5-67.9168.8127.100111.6K217 S244 L246 L252 T253 C258 I259 A260K217-E256 IonicContact NZ-OE2 3.84Å; S244-E256 WeakPolarHBondContact O-CB 3.36Å; S244-E256 WeakPolarHBondContact O-CG 3.36Å; L246-E256 HydrophobicContact CG-CG 4.47Å; L246-E256 PolarHBondContact N-OE1 3.3Å; L252-E256 HydrophobicContact CB-CB 4.15Å; L252-E256 HydrophobicContact CD2-CB 4.03Å; T253-E256 VanDerWaalsContact CB-OE2 3.24Å; T253-E256 WeakPolarHBondContact CB-OE2 3.5Å; T253-E256 VanDerWaalsContact CG2-OE2 3.22Å; T253-E256 WeakPolarHBondContact CG2-OE2 3.41Å; T253-E256 PolarHBondContact N-OE2 3.07Å; T253-E256 PolarHBondContact O-N 3.47Å; T253-E256 VanDerWaalsContact OG1-CG 3.31Å; T253-E256 WeakPolarHBondContact OG1-CG 3.37Å; T253-E256 PolarHBondContact OG1-N 2.86Å; T253-E256 PolarHBondContact OG1-OE2 3.45Å; E256-C258 VanDerWaalsContact C-N 3.32Å; E256-C258 PolarHBondContact O-N 3.07Å; E256-I259 WeakPolarHBondContact O-CB 3.5Å; E256-I259 PolarHBondContact O-N 2.94Å; E256-I259 VanDerWaalsContact O-N 3.15Å; E256-A260 PolarHBondContact O-N 3.37Å
257F94Very high92.2Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-60.9-39.9172.4176.5-93.9000112.1Q206 F207 L210 L218 F226 F227 L252 T253 I259 A260 M261Q206-F257 HydrophobicContact CB-CE1 4.06Å; Q206-F257 HydrophobicContact CB-CZ 4.18Å; F207-F257 HydrophobicContact CB-CD1 3.83Å; F207-F257 HydrophobicContact CB-CE1 3.83Å; F207-F257 HydrophobicContact CD2-CB 3.74Å; F207-F257 AromaticContact CD2-CD1 3.67Å; F207-F257 HydrophobicContact CD2-CD1 3.67Å; F207-F257 HydrophobicContact CD2-CD2 4.3Å; F207-F257 HydrophobicContact CD2-CE1 4.32Å; F207-F257 AromaticContact CD2-CG 3.64Å; F207-F257 HydrophobicContact CD2-CG 3.64Å; F207-F257 HydrophobicContact CE2-CB 4.07Å; F207-F257 HydrophobicContact CE2-CG 4.38Å; F207-F257 HydrophobicContact CG-CD1 4.25Å; L210-F257 HydrophobicContact CD1-CE2 3.76Å; L210-F257 HydrophobicContact CD1-CZ 3.88Å; L218-F257 HydrophobicContact CD2-CD2 3.56Å; L218-F257 HydrophobicContact CD2-CE2 3.74Å; L218-F257 HydrophobicContact CD2-CG 4.48Å; F226-F257 AromaticContact CD1-CE2 3.97Å; F226-F257 HydrophobicContact CD1-CE2 3.97Å; F226-F257 HydrophobicContact CD1-CZ 4.23Å; F226-F257 HydrophobicContact CE1-CE2 4.04Å; F226-F257 AromaticContact CE1-CZ 3.85Å; F226-F257 HydrophobicContact CE1-CZ 3.85Å; F227-F257 HydrophobicContact CE1-CE2 4.21Å; F227-F257 HydrophobicContact CE2-CD2 4.31Å; F227-F257 HydrophobicContact CE2-CE2 4.39Å; F227-F257 AromaticContact CZ-CD2 3.74Å; F227-F257 HydrophobicContact CZ-CD2 3.74Å; F227-F257 AromaticContact CZ-CE2 3.69Å; F227-F257 HydrophobicContact CZ-CE2 3.69Å; L252-F257 HydrophobicContact CB-CB 4.09Å; L252-F257 HydrophobicContact CD1-CB 4.4Å; L252-F257 HydrophobicContact CD1-CD2 4.41Å; T253-F257 WeakPolarHBondContact O-CB 3.42Å; T253-F257 PolarHBondContact O-N 3.12Å; F257-I259 VanDerWaalsContact C-N 3.33Å; F257-A260 PolarHBondContact O-N 3.25Å; F257-M261 HydrophobicContact CE1-CE 3.65Å; F257-M261 HydrophobicContact CE2-CE 4.32Å; F257-M261 HydrophobicContact CZ-CE 3.43Å; F257-M261 VanDerWaalsContact CZ-CE 3.43Å; F257-M261 WeakPolarHBondContact O-CB 3.34Å; F257-M261 PolarHBondContact O-N 3.45Å
258C91.8Very high92.2Very high0 Ų022.3 Ų22.30%011%0.11CC..Hα-helixtrans-68.2-31.5175.7-74.70000112.8Y203 L254 S255 E256 H262 W289Y203-C258 VanDerWaalsContact CB-SG 3.53Å; Y203-C258 HydrophobicContact CD2-CB 4.22Å; L254-C258 WeakPolarHBondContact O-CB 3.32Å; L254-C258 PolarHBondContact O-N 2.96Å; L254-C258 PolarHBondContact O-SG 2.86Å; S255-C258 PolarHBondContact O-N 2.97Å; E256-C258 VanDerWaalsContact C-N 3.32Å; E256-C258 PolarHBondContact O-N 3.07Å; C258-H262 WeakPolarHBondContact O-CB 3.26Å; C258-H262 PolarHBondContact O-N 2.93Å; C258-W289 HydrophobicContact CB-CE3 4.5Å; C258-W289 HydrophobicContact CB-CH2 3.17Å; C258-W289 HydrophobicContact CB-CZ2 3.53Å; C258-W289 HydrophobicContact CB-CZ3 3.7Å; C258-W289 WeakPolarHBondContact SG-CZ3 3.48Å
259I92Very high92.1Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-66.5-52.7171.1-69.7162.6000110.1L246 S255 E256 F257 M261 H262 L263 L277 L281 V285L246-I259 HydrophobicContact CD1-CD1 4.1Å; S255-I259 WeakPolarHBondContact O-CG1 3.44Å; S255-I259 PolarHBondContact O-N 2.74Å; E256-I259 WeakPolarHBondContact O-CB 3.5Å; E256-I259 PolarHBondContact O-N 2.94Å; E256-I259 VanDerWaalsContact O-N 3.15Å; F257-I259 VanDerWaalsContact C-N 3.33Å; I259-M261 VanDerWaalsContact C-N 3.31Å; I259-M261 PolarHBondContact O-N 2.92Å; I259-H262 PolarHBondContact O-N 3Å; I259-H262 VanDerWaalsContact O-N 3.13Å; I259-L263 HydrophobicContact CG2-CD1 4.09Å; I259-L263 WeakPolarHBondContact O-CG 3.2Å; I259-L263 PolarHBondContact O-N 3.08Å; I259-L277 HydrophobicContact CD1-CD2 4.19Å; I259-L277 HydrophobicContact CG2-CD1 3.6Å; I259-L277 HydrophobicContact CG2-CD2 4.03Å; I259-L281 VanDerWaalsContact CD1-O 3.31Å; I259-L281 WeakPolarHBondContact CD1-O 3.38Å; I259-L281 HydrophobicContact CG1-CB 4.45Å; I259-V285 HydrophobicContact CD1-CG2 3.66Å
260A93.7Very high91.9Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-53.6-48.7175.700000111.5F227 I240 L252 E256 F257 H262 L263 V264F227-A260 HydrophobicContact CE1-CB 4.36Å; F227-A260 HydrophobicContact CE2-CB 3.95Å; F227-A260 HydrophobicContact CZ-CB 3.59Å; I240-A260 HydrophobicContact CG2-CB 4.11Å; L252-A260 HydrophobicContact CD1-CB 4.21Å; E256-A260 PolarHBondContact O-N 3.37Å; F257-A260 PolarHBondContact O-N 3.25Å; A260-H262 PolarHBondContact O-N 3.39Å; A260-L263 PolarHBondContact O-N 3.42Å; A260-V264 WeakPolarHBondContact O-CG2 3.46Å; A260-V264 PolarHBondContact O-N 2.92Å
261M93.4Very high91.7Very high0 Ų022.2 Ų22.20%013%0.127CC..Hα-helixtrans-57.3-46.3176.8-178.26473.900112.3W135 F138 Y203 Q206 F226 F227 F257 I259 V264 V265W135-M261 HydrophobicContact CH2-CE 4.5Å; W135-M261 HydrophobicContact CH2-SD 4.12Å; W135-M261 HydrophobicContact CZ3-SD 4.19Å; F138-M261 HydrophobicContact CD1-SD 3.95Å; F138-M261 HydrophobicContact CE1-CE 4.02Å; F138-M261 HydrophobicContact CE1-SD 3.5Å; F138-M261 WeakPolarHBondContact CE1-SD 3.33Å; Y203-M261 HydrophobicContact CD1-CB 4.35Å; Y203-M261 HydrophobicContact CD1-CG 3.28Å; Y203-M261 HydrophobicContact CD1-SD 4.43Å; Y203-M261 HydrophobicContact CD2-CB 4.44Å; Y203-M261 HydrophobicContact CD2-CG 4.15Å; Y203-M261 HydrophobicContact CE1-CG 3.48Å; Y203-M261 VanDerWaalsContact CE1-CG 3.48Å; Y203-M261 HydrophobicContact CE2-CG 4.32Å; Y203-M261 HydrophobicContact CG-CB 4.29Å; Y203-M261 HydrophobicContact CG-CG 3.65Å; Q206-M261 HydrophobicContact CB-CE 3.74Å; Q206-M261 HydrophobicContact CG-CE 3.91Å; F226-M261 HydrophobicContact CE1-CE 3.52Å; F226-M261 HydrophobicContact CZ-CE 3.86Å; F227-M261 HydrophobicContact CE1-CE 4.4Å; F257-M261 HydrophobicContact CE1-CE 3.65Å; F257-M261 HydrophobicContact CE2-CE 4.32Å; F257-M261 HydrophobicContact CZ-CE 3.43Å; F257-M261 VanDerWaalsContact CZ-CE 3.43Å; F257-M261 WeakPolarHBondContact O-CB 3.34Å; F257-M261 PolarHBondContact O-N 3.45Å; I259-M261 VanDerWaalsContact C-N 3.31Å; I259-M261 PolarHBondContact O-N 2.92Å; M261-V264 PolarHBondContact O-N 2.99Å; M261-V265 WeakPolarHBondContact O-CG2 3.47Å; M261-V265 PolarHBondContact O-N 2.94Å
262H91.5Very high91.5Very high1 Ų123.2 Ų23.21%0.00514%0.14CC..Hα-helixtrans-64.4-41.8179.1-167.169.9000111.6V195 Y203 C258 I259 A260 V265 Y266V195-H262 HydrophobicContact CG2-CB 4.23Å; Y203-H262 HydrophobicContact CE2-CB 3.9Å; Y203-H262 AromaticContact CE2-ND1 3.93Å; Y203-H262 AromaticContact CZ-ND1 3.94Å; Y203-H262 PolarHBondContact OH-ND1 3.08Å; C258-H262 WeakPolarHBondContact O-CB 3.26Å; C258-H262 PolarHBondContact O-N 2.93Å; I259-H262 PolarHBondContact O-N 3Å; I259-H262 VanDerWaalsContact O-N 3.13Å; A260-H262 PolarHBondContact O-N 3.39Å; H262-V265 PolarHBondContact O-N 2.99Å; H262-Y266 AromaticContact CD2-CD2 3.83Å; H262-Y266 AromaticContact CE1-CD2 3.83Å; H262-Y266 AromaticContact CE1-CE2 3.62Å; H262-Y266 AromaticContact NE2-CD2 3.48Å; H262-Y266 WeakPolarHBondContact NE2-CD2 3.37Å; H262-Y266 AromaticContact NE2-CE2 3.34Å; H262-Y266 VanDerWaalsContact NE2-CE2 3.34Å; H262-Y266 WeakPolarHBondContact NE2-CE2 3.4Å; H262-Y266 WeakPolarHBondContact O-CB 3.36Å; H262-Y266 PolarHBondContact O-N 3.22Å
263L92.6Very high91.3Very high1 Ų124 Ų241%0.00514%0.144CC..Hα-helixtrans-62.2-41.2175-67173.2000112.4W193 I240 L243 I259 A260 Y266 R267 P274 L277 L281W193-L263 HydrophobicContact CZ3-CD2 4.02Å; I240-L263 HydrophobicContact CD1-CB 4.3Å; I240-L263 HydrophobicContact CG1-CB 4.04Å; I240-L263 HydrophobicContact CG2-CB 3.99Å; I240-L263 HydrophobicContact CG2-CD1 4.26Å; L243-L263 HydrophobicContact CB-CD1 4Å; I259-L263 HydrophobicContact CG2-CD1 4.09Å; I259-L263 WeakPolarHBondContact O-CG 3.2Å; I259-L263 PolarHBondContact O-N 3.08Å; A260-L263 PolarHBondContact O-N 3.42Å; L263-Y266 WeakPolarHBondContact O-CB 3.5Å; L263-Y266 PolarHBondContact O-N 3.1Å; L263-R267 PolarHBondContact O-N 3.15Å; L263-P274 HydrophobicContact CD2-CG 4.13Å; L263-L277 HydrophobicContact CD1-CD1 4.25Å; L263-L281 HydrophobicContact CD2-CD1 4.12Å
264V93.9Very high91.1Very high0 Ų023 Ų230%014%0.139CC..Hα-helixtrans-61.4-48.5174.1170.50000111W135 F227 L232 L237 I240 A260 M261 Y266 R267 L268W135-V264 HydrophobicContact CE3-CG1 4.27Å; W135-V264 HydrophobicContact CH2-CG1 3.92Å; W135-V264 HydrophobicContact CZ3-CG1 3.46Å; W135-V264 VanDerWaalsContact CZ3-CG1 3.46Å; F227-V264 HydrophobicContact CD1-CG2 3.96Å; F227-V264 HydrophobicContact CE1-CG2 4.3Å; L232-V264 HydrophobicContact CD1-CB 4.27Å; L232-V264 HydrophobicContact CD1-CG1 3.87Å; L232-V264 HydrophobicContact CD1-CG2 4.21Å; L237-V264 HydrophobicContact CD2-CG2 4.27Å; I240-V264 HydrophobicContact CD1-CG2 3.79Å; I240-V264 HydrophobicContact CG2-CG2 4.23Å; A260-V264 WeakPolarHBondContact O-CG2 3.46Å; A260-V264 PolarHBondContact O-N 2.92Å; M261-V264 PolarHBondContact O-N 2.99Å; V264-Y266 VanDerWaalsContact C-N 3.29Å; V264-Y266 PolarHBondContact O-N 3.37Å; V264-R267 PolarHBondContact O-N 3.5Å; V264-R267 VanDerWaalsContact O-N 3.13Å; V264-L268 HydrophobicContact CG1-CD1 3.84Å; V264-L268 HydrophobicContact CG1-CG 4.32Å; V264-L268 WeakPolarHBondContact O-CG 3.22Å; V264-L268 PolarHBondContact O-N 2.96Å
265V91Very high90.8Very high5 Ų528.6 Ų28.63%0.0317%0.168CC..Hα-helixtrans-65-34.5178.1-178.30000111.3F138 I142 Y203 M261 H262 N269F138-V265 HydrophobicContact CB-CG2 4.18Å; F138-V265 HydrophobicContact CD1-CG2 3.95Å; I142-V265 HydrophobicContact CD1-CG1 4.04Å; Y203-V265 HydrophobicContact CE1-CG2 4.5Å; M261-V265 WeakPolarHBondContact O-CG2 3.47Å; M261-V265 PolarHBondContact O-N 2.94Å; H262-V265 PolarHBondContact O-N 2.99Å; V265-N269 WeakPolarHBondContact O-CB 3.48Å; V265-N269 PolarHBondContact O-N 3.22Å; V265-N269 VanDerWaalsContact O-N 3.12Å; V265-N269 PolarHBondContact O-ND2 3.47Å
266Y89.4Confident90.5Very high13 Ų1334.1 Ų34.15%0.05120%0.197CC..Hα-helixtrans-60.8-44.5171.4-108-98.9000112.2I142 P192 W193 H262 L263 V264 N269 V271I142-Y266 HydrophobicContact CD1-CD2 3.8Å; I142-Y266 HydrophobicContact CD1-CE2 3.45Å; I142-Y266 VanDerWaalsContact CD1-CE2 3.45Å; I142-Y266 HydrophobicContact CG2-CE2 4.18Å; I142-Y266 VanDerWaalsContact CG2-OH 3.22Å; I142-Y266 WeakPolarHBondContact CG2-OH 3.42Å; P192-Y266 VanDerWaalsContact C-OH 3.26Å; P192-Y266 WeakPolarHBondContact CA-OH 3.41Å; P192-Y266 HydrophobicContact CB-CE1 4Å; P192-Y266 VanDerWaalsContact CB-OH 3.26Å; P192-Y266 WeakPolarHBondContact CB-OH 3.48Å; P192-Y266 VanDerWaalsContact O-CE2 3.32Å; P192-Y266 WeakPolarHBondContact O-CE2 3.43Å; P192-Y266 PolarHBondContact O-OH 3.37Å; W193-Y266 HydrophobicContact CE3-CD1 4.1Å; W193-Y266 HydrophobicContact CE3-CD2 4.42Å; W193-Y266 HydrophobicContact CE3-CE1 4.3Å; W193-Y266 HydrophobicContact CE3-CG 4.23Å; W193-Y266 AromaticContact CH2-CD1 3.64Å; W193-Y266 HydrophobicContact CH2-CD1 3.64Å; W193-Y266 HydrophobicContact CH2-CE1 4.21Å; W193-Y266 HydrophobicContact CH2-CG 4.23Å; W193-Y266 HydrophobicContact CZ2-CD1 4.49Å; W193-Y266 AromaticContact CZ3-CD1 3.42Å; W193-Y266 HydrophobicContact CZ3-CD1 3.42Å; W193-Y266 VanDerWaalsContact CZ3-CD1 3.42Å; W193-Y266 HydrophobicContact CZ3-CD2 4.21Å; W193-Y266 HydrophobicContact CZ3-CE1 4.02Å; W193-Y266 AromaticContact CZ3-CG 3.59Å; W193-Y266 HydrophobicContact CZ3-CG 3.59Å; H262-Y266 AromaticContact CD2-CD2 3.83Å; H262-Y266 AromaticContact CE1-CD2 3.83Å; H262-Y266 AromaticContact CE1-CE2 3.62Å; H262-Y266 AromaticContact NE2-CD2 3.48Å; H262-Y266 WeakPolarHBondContact NE2-CD2 3.37Å; H262-Y266 AromaticContact NE2-CE2 3.34Å; H262-Y266 VanDerWaalsContact NE2-CE2 3.34Å; H262-Y266 WeakPolarHBondContact NE2-CE2 3.4Å; H262-Y266 WeakPolarHBondContact O-CB 3.36Å; H262-Y266 PolarHBondContact O-N 3.22Å; L263-Y266 WeakPolarHBondContact O-CB 3.5Å; L263-Y266 PolarHBondContact O-N 3.1Å; V264-Y266 VanDerWaalsContact C-N 3.29Å; V264-Y266 PolarHBondContact O-N 3.37Å; Y266-N269 PolarHBondContact O-N 3.4Å; Y266-V271 HydrophobicContact CD1-CB 3.71Å; Y266-V271 HydrophobicContact CD1-CG1 3.75Å; Y266-V271 HydrophobicContact CD1-CG2 3.82Å; Y266-V271 HydrophobicContact CE1-CB 4.26Å; Y266-V271 HydrophobicContact CE1-CG1 4.11Å; Y266-V271 HydrophobicContact CE1-CG2 3.95Å; Y266-V271 WeakPolarHBondContact O-CB 3.41Å; Y266-V271 PolarHBondContact O-N 3Å; Y266-V271 VanDerWaalsContact O-N 3.13Å
267R91.3Very high90Very high71 Ų7135.1 Ų35.127%0.26820%0.202SC..Hα-helixtrans-70.3-40.9-179.5-174.554.6-178.5137.61.3113.1L232 E236 L263 V264 N269 G270 V271 I273L232-R267 HydrophobicContact CD1-CB 3.96Å; L232-R267 HydrophobicContact CD1-CG 3.98Å; L232-R267 HydrophobicContact CD2-CB 4.31Å; L232-R267 HydrophobicContact CD2-CG 3.7Å; E236-R267 IonicContact OE1-CZ 2.78Å; E236-R267 IonicContact OE1-NE 2.65Å; E236-R267 PolarHBondContact OE1-NE 2.97Å; E236-R267 VanDerWaalsContact OE1-NE 3.14Å; E236-R267 IonicContact OE1-NH2 2.82Å; E236-R267 PolarHBondContact OE1-NH2 3.47Å; E236-R267 WeakPolarHBondContact OE2-CG 3.25Å; E236-R267 IonicContact OE2-CZ 3.26Å; E236-R267 IonicContact OE2-NE 2.7Å; E236-R267 PolarHBondContact OE2-NE 3Å; E236-R267 IonicContact OE2-NH2 2.77Å; L263-R267 PolarHBondContact O-N 3.15Å; V264-R267 PolarHBondContact O-N 3.5Å; V264-R267 VanDerWaalsContact O-N 3.13Å; R267-N269 PolarHBondContact O-N 3.11Å; R267-G270 WeakPolarHBondContact O-CA 3.39Å; R267-G270 PolarHBondContact O-N 3.42Å; R267-V271 WeakPolarHBondContact CA-O 3.39Å; R267-V271 VanDerWaalsContact CD-O 3.25Å; R267-V271 WeakPolarHBondContact CD-O 3.29Å; R267-I273 HydrophobicContact CB-CD1 4.27Å; R267-I273 HydrophobicContact CB-CG1 4Å; R267-I273 HydrophobicContact CG-CD1 3.93Å; R267-I273 HydrophobicContact CG-CG1 4.09Å
268L90.6Very high89.2Confident54 Ų5436.5 Ų36.528%0.28321%0.211SC..Hα-helixtrans-61.3-32.5173.9-69.9170.5000112.4W135 L232 V264 G270W135-L268 HydrophobicContact CE3-CD1 3.87Å; W135-L268 HydrophobicContact CZ3-CD1 4.32Å; L232-L268 HydrophobicContact CD2-CD2 3.77Å; L232-L268 HydrophobicContact CD2-CG 4.24Å; L232-L268 HydrophobicContact CG-CD2 4.11Å; L232-L268 HydrophobicContact CG-CG 4.44Å; V264-L268 HydrophobicContact CG1-CD1 3.84Å; V264-L268 HydrophobicContact CG1-CG 4.32Å; V264-L268 WeakPolarHBondContact O-CG 3.22Å; V264-L268 PolarHBondContact O-N 2.96Å; L268-G270 PolarHBondContact O-N 2.81Å
269N87.8Confident88.4Confident64 Ų6442 Ų4234%0.34224%0.244SC..THydrogen-bonded Turntrans-77.17.5171.4-75.3-48.3000113.9V265 Y266 R267V265-N269 WeakPolarHBondContact O-CB 3.48Å; V265-N269 PolarHBondContact O-N 3.22Å; V265-N269 VanDerWaalsContact O-N 3.12Å; V265-N269 PolarHBondContact O-ND2 3.47Å; Y266-N269 PolarHBondContact O-N 3.4Å; R267-N269 PolarHBondContact O-N 3.11Å
270G88Confident87.4Confident53 Ų5344 Ų4455%0.54626%0.256SS..THydrogen-bonded Turntrans85.22.4174.900000115.5R267 L268R267-G270 WeakPolarHBondContact O-CA 3.39Å; R267-G270 PolarHBondContact O-N 3.42Å; L268-G270 PolarHBondContact O-N 2.81Å
271V88.4Confident86.4Confident51 Ų5144 Ų4431%0.30926%0.256SS..PPolyproline II helixtrans-77.8137176.9-169.10000109.3Y266 R267Y266-V271 HydrophobicContact CD1-CB 3.71Å; Y266-V271 HydrophobicContact CD1-CG1 3.75Å; Y266-V271 HydrophobicContact CD1-CG2 3.82Å; Y266-V271 HydrophobicContact CE1-CB 4.26Å; Y266-V271 HydrophobicContact CE1-CG1 4.11Å; Y266-V271 HydrophobicContact CE1-CG2 3.95Å; Y266-V271 WeakPolarHBondContact O-CB 3.41Å; Y266-V271 PolarHBondContact O-N 3Å; Y266-V271 VanDerWaalsContact O-N 3.13Å; R267-V271 WeakPolarHBondContact CA-O 3.39Å; R267-V271 VanDerWaalsContact CD-O 3.25Å; R267-V271 WeakPolarHBondContact CD-O 3.29Å
272P89.1Confident85.3Confident95 Ų9547.4 Ų47.462%0.61727%0.274SS*.PPolyproline II helixtrans-68.4139.8175.427.3-34.6000111.6
273I89.9Confident84.2Confident17 Ų1753.2 Ų53.29%0.08730%0.302CS..PPolyproline II helixtrans-63.9126.9174.7-62.5149.7000108.7E236 K239 I240 L243 R267E236-I273 HydrophobicContact CB-CD1 3.69Å; E236-I273 HydrophobicContact CG-CD1 4.13Å; K239-I273 HydrophobicContact CD-CB 4.31Å; K239-I273 HydrophobicContact CD-CG2 3.85Å; K239-I273 HydrophobicContact CG-CG2 4.13Å; K239-I273 PolarHBondContact NZ-O 2.93Å; I240-I273 HydrophobicContact CD1-CD1 3.77Å; I240-I273 HydrophobicContact CD1-CG1 4.07Å; I240-I273 HydrophobicContact CG1-CD1 3.78Å; I240-I273 HydrophobicContact CG1-CG1 3.99Å; I240-I273 HydrophobicContact CG1-CG2 4.12Å; L243-I273 HydrophobicContact CD1-CG2 3.66Å; R267-I273 HydrophobicContact CB-CD1 4.27Å; R267-I273 HydrophobicContact CB-CG1 4Å; R267-I273 HydrophobicContact CG-CD1 3.93Å; R267-I273 HydrophobicContact CG-CG1 4.09Å
274P87.9Confident83.1Confident25 Ų2553.6 Ų53.616%0.16230%0.304CS..PPolyproline II helixtrans-64.3164.1-177.629.9-36.1000111.4W193 K239 L243 L263 P278W193-P274 HydrophobicContact CH2-CG 4.02Å; W193-P274 HydrophobicContact CZ2-CB 4.49Å; W193-P274 HydrophobicContact CZ2-CG 4.29Å; K239-P274 WeakPolarHBondContact CE-O 3.41Å; K239-P274 PolarHBondContact NZ-O 3.26Å; L243-P274 VanDerWaalsContact CD1-O 3.27Å; L243-P274 WeakPolarHBondContact CD1-O 3.47Å; L263-P274 HydrophobicContact CD2-CG 4.13Å; P274-P278 HydrophobicContact CG-CG 4.31Å
275N85.4Confident81.7Confident129 Ų12956.3 Ų56.369%0.6932%0.32SS*.SBendtrans-88.2-20.4179.9-70.2-4.9000113.6K239K239-N275 PolarHBondContact NZ-OD1 3.06Å
276N84.5Confident80.2Confident132 Ų13264.5 Ų64.571%0.70636%0.358SS*.SBendtrans-135.4150.9173.2-55.1-57.1000106.9P278N276-P278 WeakPolarHBondContact O-CD 3.29Å
277L82.6Confident78.9Confident27 Ų2766 Ų6614%0.14137%0.369CS..  trans-68126.3179.1-170.367.9000110.7L246 I259 L263 L281 L282L246-L277 HydrophobicContact CD1-CD2 4.49Å; L246-L277 HydrophobicContact CD2-CD2 4.11Å; I259-L277 HydrophobicContact CD1-CD2 4.19Å; I259-L277 HydrophobicContact CG2-CD1 3.6Å; I259-L277 HydrophobicContact CG2-CD2 4.03Å; L263-L277 HydrophobicContact CD1-CD1 4.25Å; L277-L281 HydrophobicContact CD1-CB 3.78Å; L277-L281 HydrophobicContact CD1-CD1 3.69Å; L277-L281 HydrophobicContact CD1-CG 4.38Å; L277-L281 HydrophobicContact CD2-CB 4.22Å; L277-L281 HydrophobicContact CG-CB 3.95Å; L277-L282 HydrophobicContact CD2-CD2 3.75Å; L277-L282 HydrophobicContact CD2-CG 4.01Å
278P78.9Confident77.3Confident28 Ų2867.4 Ų67.418%0.18238%0.382CS..  trans-63.1141.6175.7-23.534.9000112.2W193 P274 N276 V280 L281 L282W193-P278 HydrophobicContact CB-CB 4.33Å; W193-P278 HydrophobicContact CD2-CB 4.4Å; W193-P278 HydrophobicContact CD2-CG 3.76Å; W193-P278 HydrophobicContact CE3-CG 4.42Å; W193-P278 HydrophobicContact CG-CB 3.91Å; W193-P278 HydrophobicContact CG-CG 3.81Å; W193-P278 HydrophobicContact CZ2-CG 4.36Å; P274-P278 HydrophobicContact CG-CG 4.31Å; N276-P278 WeakPolarHBondContact O-CD 3.29Å; P278-V280 PolarHBondContact O-N 3.4Å; P278-V280 VanDerWaalsContact O-N 3.08Å; P278-L281 PolarHBondContact O-N 2.97Å; P278-L282 PolarHBondContact O-N 3.3Å
279T73.6Confident75.9Confident115 Ų11565.7 Ų65.771%0.70637%0.371SS*.Hα-helixtrans-56.9-30-175.7-40.50000114L281 L282 E283T279-L281 PolarHBondContact O-N 2.67Å; T279-L282 WeakPolarHBondContact O-CA 3.44Å; T279-L282 WeakPolarHBondContact O-CB 3.35Å; T279-L282 PolarHBondContact O-N 2.77Å; T279-E283 PolarHBondContact O-N 2.99Å; T279-E283 VanDerWaalsContact O-N 3.08Å
280V71.8Confident74.4Confident42 Ų4267.7 Ų67.726%0.25538%0.382SS..Hα-helixtrans-67.7-23.1176.5178.20000112.6W193 A194 P278W193-V280 HydrophobicContact CB-CB 4.39Å; A194-V280 HydrophobicContact CB-CG1 4.24Å; P278-V280 PolarHBondContact O-N 3.4Å; P278-V280 VanDerWaalsContact O-N 3.08Å
281L73.5Confident72.4Confident0 Ų069 Ų690%038%0.382CS..Hα-helixtrans-86.1-17.4168.7-66.5-179.5000113.3W193 V195 I259 L263 L277 P278 T279 L284W193-L281 HydrophobicContact CB-CG 4.15Å; W193-L281 HydrophobicContact CE3-CD1 4.01Å; W193-L281 VanDerWaalsContact O-CD2 3.23Å; W193-L281 WeakPolarHBondContact O-CD2 3.22Å; V195-L281 HydrophobicContact CG2-CD2 3.87Å; I259-L281 VanDerWaalsContact CD1-O 3.31Å; I259-L281 WeakPolarHBondContact CD1-O 3.38Å; I259-L281 HydrophobicContact CG1-CB 4.45Å; L263-L281 HydrophobicContact CD2-CD1 4.12Å; L277-L281 HydrophobicContact CD1-CB 3.78Å; L277-L281 HydrophobicContact CD1-CD1 3.69Å; L277-L281 HydrophobicContact CD1-CG 4.38Å; L277-L281 HydrophobicContact CD2-CB 4.22Å; L277-L281 HydrophobicContact CG-CB 3.95Å; P278-L281 PolarHBondContact O-N 2.97Å; T279-L281 PolarHBondContact O-N 2.67Å; L281-L284 HydrophobicContact CD2-CD2 4.09Å; L281-L284 WeakPolarHBondContact O-CB 3.42Å
282L70.4Confident70.2Confident72 Ų7269.1 Ų69.138%0.37738%0.383SS..Hα-helixtrans-75.1-35.3168.5-71.1170.3000111.5L246 L277 P278 T279 L284 V285L246-L282 HydrophobicContact CD1-CD2 3.98Å; L246-L282 HydrophobicContact CD2-CD2 4.31Å; L277-L282 HydrophobicContact CD2-CD2 3.75Å; L277-L282 HydrophobicContact CD2-CG 4.01Å; P278-L282 PolarHBondContact O-N 3.3Å; T279-L282 WeakPolarHBondContact O-CA 3.44Å; T279-L282 WeakPolarHBondContact O-CB 3.35Å; T279-L282 PolarHBondContact O-N 2.77Å; L282-L284 PolarHBondContact O-N 3.3Å; L282-V285 VanDerWaalsContact O-CB 3.25Å; L282-V285 WeakPolarHBondContact O-CB 3.46Å; L282-V285 WeakPolarHBondContact O-CG2 3.45Å; L282-V285 PolarHBondContact O-N 3.42Å
283E67.4Low67.7Low123 Ų12374.6 Ų74.658%0.57540%0.397SS*.Hα-helixtrans-56.8-33172.3-170-179.1168.800111.7T279 V285 E286 T287T279-E283 PolarHBondContact O-N 2.99Å; T279-E283 VanDerWaalsContact O-N 3.08Å; E283-V285 PolarHBondContact O-N 3.47Å; E283-E286 PolarHBondContact O-N 3.11Å; E283-E286 VanDerWaalsContact O-N 3.11Å; E283-T287 HydrophobicContact CG-CG2 4.47Å; E283-T287 WeakPolarHBondContact O-CG2 3.49Å; E283-T287 PolarHBondContact O-N 2.84Å
284L68.7Low65.2Low9 Ų981.5 Ų81.55%0.04743%0.433CS..Hα-helixtrans-58.6-27.8174.4-10970.1000114.1V195 L281 L282 T287 W289V195-L284 HydrophobicContact CB-CD1 4.27Å; V195-L284 HydrophobicContact CB-CD2 3.91Å; V195-L284 HydrophobicContact CG2-CD1 4.15Å; V195-L284 HydrophobicContact CG2-CD2 3.35Å; V195-L284 HydrophobicContact CG2-CG 4.38Å; L281-L284 HydrophobicContact CD2-CD2 4.09Å; L281-L284 WeakPolarHBondContact O-CB 3.42Å; L282-L284 PolarHBondContact O-N 3.3Å; L284-T287 PolarHBondContact O-OG1 2.8Å; L284-T287 VanDerWaalsContact O-OG1 3.12Å; L284-W289 HydrophobicContact CB-CZ2 4.02Å; L284-W289 HydrophobicContact CD2-CH2 3.49Å; L284-W289 VanDerWaalsContact CD2-CH2 3.49Å; L284-W289 HydrophobicContact CD2-CZ2 3.76Å; L284-W289 HydrophobicContact CG-CH2 3.8Å; L284-W289 HydrophobicContact CG-CZ2 3.71Å; L284-W289 PolarHBondContact O-NE1 3.01Å
285V65.8Low62.7Low58 Ų5885.8 Ų85.835%0.35246%0.464SS..Hα-helixtrans-67.8-40176.8-171.70000110.8L246 S255 I259 L282 E283L246-V285 HydrophobicContact CD1-CG2 3.48Å; L246-V285 VanDerWaalsContact CD1-CG2 3.48Å; S255-V285 PolarHBondContact OG-O 3.23Å; I259-V285 HydrophobicContact CD1-CG2 3.66Å; L282-V285 VanDerWaalsContact O-CB 3.25Å; L282-V285 WeakPolarHBondContact O-CB 3.46Å; L282-V285 WeakPolarHBondContact O-CG2 3.45Å; L282-V285 PolarHBondContact O-N 3.42Å; E283-V285 PolarHBondContact O-N 3.47Å
286E59.3Low60.3Low177 Ų17785 Ų8583%0.82747%0.469SS*.Hα-helixtrans-82.8-24.3-179.5-57.5-169.9160.100112.8E283 N288E283-E286 PolarHBondContact O-N 3.11Å; E283-E286 VanDerWaalsContact O-N 3.11Å; E286-N288 PolarHBondContact O-N 2.96Å
287T61.6Low58Low44 Ų4485.2 Ų85.227%0.2748%0.475SS..SBendtrans-68.3122.5178.459.90000112.7K200 E283 L284 W289K200-T287 PolarHBondContact NZ-OG1 3.29Å; E283-T287 HydrophobicContact CG-CG2 4.47Å; E283-T287 WeakPolarHBondContact O-CG2 3.49Å; E283-T287 PolarHBondContact O-N 2.84Å; L284-T287 PolarHBondContact O-OG1 2.8Å; L284-T287 VanDerWaalsContact O-OG1 3.12Å; T287-W289 PolarHBondContact O-N 3.1Å; T287-W289 PolarHBondContact O-NE1 2.92Å
288N57.5Low55.7Low101 Ų10188.6 Ų88.654%0.5450%0.501SS..  trans-63.9102.9169.3-179.21.3000110.9E286 L290 S291E286-N288 PolarHBondContact O-N 2.96Å; N288-L290 PolarHBondContact O-N 3.37Å; N288-L290 VanDerWaalsContact O-N 3.11Å; N288-L290 WeakPolarHBondContact OD1-CB 3.35Å; N288-L290 PolarHBondContact OD1-N 2.84Å; N288-L290 VanDerWaalsContact OD1-N 3.15Å; N288-S291 VanDerWaalsContact O-CB 3.29Å; N288-S291 WeakPolarHBondContact O-CB 3.32Å; N288-S291 PolarHBondContact O-N 3.05Å; N288-S291 PolarHBondContact O-OG 2.91Å
289W62.5Low54Low17 Ų1793.1 Ų93.16%0.06453%0.53CS..THydrogen-bonded Turntrans-56.7-23.9-178.6-68.686.8000115K200 L254 S255 C258 L284 T287 S291K200-W289 HydrophobicContact CB-CE3 4.02Å; K200-W289 HydrophobicContact CB-CZ3 3.68Å; K200-W289 HydrophobicContact CD-CE3 3.95Å; K200-W289 HydrophobicContact CD-CH2 4.06Å; K200-W289 HydrophobicContact CD-CZ3 3.59Å; K200-W289 HydrophobicContact CG-CE3 4.12Å; K200-W289 HydrophobicContact CG-CH2 4.11Å; K200-W289 HydrophobicContact CG-CZ3 3.46Å; K200-W289 VanDerWaalsContact CG-CZ3 3.46Å; L254-W289 HydrophobicContact CD2-CB 3.57Å; L254-W289 HydrophobicContact CD2-CD2 4.36Å; L254-W289 HydrophobicContact CD2-CG 3.69Å; L254-W289 HydrophobicContact CG-CB 4.49Å; L254-W289 HydrophobicContact CG-CD2 4.4Å; L254-W289 HydrophobicContact CG-CG 4.12Å; S255-W289 PolarHBondContact OG-NE1 2.81Å; C258-W289 HydrophobicContact CB-CE3 4.5Å; C258-W289 HydrophobicContact CB-CH2 3.17Å; C258-W289 HydrophobicContact CB-CZ2 3.53Å; C258-W289 HydrophobicContact CB-CZ3 3.7Å; C258-W289 WeakPolarHBondContact SG-CZ3 3.48Å; L284-W289 HydrophobicContact CB-CZ2 4.02Å; L284-W289 HydrophobicContact CD2-CH2 3.49Å; L284-W289 VanDerWaalsContact CD2-CH2 3.49Å; L284-W289 HydrophobicContact CD2-CZ2 3.76Å; L284-W289 HydrophobicContact CG-CH2 3.8Å; L284-W289 HydrophobicContact CG-CZ2 3.71Å; L284-W289 PolarHBondContact O-NE1 3.01Å; T287-W289 PolarHBondContact O-N 3.1Å; T287-W289 PolarHBondContact O-NE1 2.92Å; W289-S291 PolarHBondContact O-N 2.85Å
290L55.7Low52.4Low107 Ų10793.4 Ų93.456%0.5653%0.532SS*.THydrogen-bonded Turntrans-72.9-14177.5-61.1165.6000112.6I214 N288 T292I214-L290 HydrophobicContact CD1-CD2 4.15Å; N288-L290 PolarHBondContact O-N 3.37Å; N288-L290 VanDerWaalsContact O-N 3.11Å; N288-L290 WeakPolarHBondContact OD1-CB 3.35Å; N288-L290 PolarHBondContact OD1-N 2.84Å; N288-L290 VanDerWaalsContact OD1-N 3.15Å; L290-T292 PolarHBondContact O-N 3.34Å
291S46.3Very low51.2Low79 Ų7997.9 Ų97.955%0.55256%0.559SS**  trans-78.142-178.7-61.60000114N288 W289N288-S291 VanDerWaalsContact O-CB 3.29Å; N288-S291 WeakPolarHBondContact O-CB 3.32Å; N288-S291 PolarHBondContact O-N 3.05Å; N288-S291 PolarHBondContact O-OG 2.91Å; W289-S291 PolarHBondContact O-N 2.85Å
292T42.1Very low49.8Very low55 Ų55106 Ų10634%0.33760%0.595SS.*SBendtrans-101122.8162.949.60000109.3L290L290-T292 PolarHBondContact O-N 3.34Å
293K36.1Very low48.3Very low210 Ų210107 Ų10791%0.91361%0.612SS**SBendtrans71.446.2178.2-154-170.9-179-179.60117.1
294L38.1Very low47Very low161 Ų161108 Ų10884%0.84362%0.622SS**  trans-142.226.4165-115.8170.1000115
295S34.7Very low45.4Very low116 Ų116114 Ų11481%0.81166%0.659SS**  trans-130.460.3-178.4-54.90000112.3
296S34.8Very low44.1Very low113 Ų113117.1 Ų117.179%0.7968%0.679SS**  trans-135.142.4179.568.80000113.4
297T37.6Very low43.1Very low135 Ų135114.3 Ų114.383%0.82867%0.673SS**  trans-162.2140.5165.816.50000111.7
298S34.3Very low41.9Very low98 Ų98118.5 Ų118.569%0.68570%0.699SS**  trans108.770.2163.9-48.80000118.9T300S298-T300 PolarHBondContact O-N 3.27Å
299P42.5Very low40.9Very low124 Ų124118.2 Ų118.281%0.80571%0.711SS**  trans-76.899.914732.2-28.6000109.4V301P299-V301 PolarHBondContact O-N 2.96Å
300T40.1Very low39.8Very low121 Ų121123.9 Ų123.974%0.74275%0.748SS**  trans-64.9107.9-178.5-510000111.5S298 K302S298-T300 PolarHBondContact O-N 3.27Å; T300-K302 PolarHBondContact O-N 3.48Å
301V47.2Very low38.9Very low135 Ų135125.3 Ų125.382%0.81876%0.761SS**  trans-65.7105.7178.2178.90000110.1P299 A303P299-V301 PolarHBondContact O-N 2.96Å; V301-A303 PolarHBondContact O-N 3.14Å
302K42.9Very low38.6Very low172 Ų172128.4 Ų128.475%0.74878%0.777SS**  trans-76.5103.1170.6-68.7-177.5179.6178.70109.3T300 N304T300-K302 PolarHBondContact O-N 3.48Å; K302-N304 PolarHBondContact O-N 3.41Å; K302-N304 VanDerWaalsContact O-N 3.08Å
303A39.6Very low38.4Very low91 Ų91131.8 Ų131.875%0.75280%0.798SS**  trans-71.597.1172.100000110.3V301 T305V301-A303 PolarHBondContact O-N 3.14Å; A303-T305 PolarHBondContact O-N 3.28Å
304N39.7Very low38.6Very low145 Ų145126.5 Ų126.578%0.77579%0.793SS**  trans-78.7108.4174-80.11.7000110.5K302 T306K302-N304 PolarHBondContact O-N 3.41Å; K302-N304 VanDerWaalsContact O-N 3.08Å; N304-T306 PolarHBondContact O-N 3.04Å
305T36.1Very low38.7Very low135 Ų135126.1 Ų126.183%0.82879%0.792SS**  trans-72.9115.1174.5-50.30000111.4A303A303-T305 PolarHBondContact O-N 3.28Å
306T38.5Very low39.1Very low124 Ų124126 Ų12676%0.76179%0.791SS**  trans-128.495164.7-55.80000111.1N304N304-T306 PolarHBondContact O-N 3.04Å
307T37.2Very low39.2Very low117 Ų117128.3 Ų128.372%0.71879%0.794SS**  trans21.2111.9136.6-45.70000118.8
308T36.8Very low39Very low133 Ų133128 Ų12882%0.81680%0.796SS**  -148.6133.6128.1-64.20000107.3
309A35.9Very low39.1Very low94 Ų94128.8 Ų128.878%0.77780%0.797SS**  trans-114125-178.400000111.3
310T39.9Very low38.9Very low137 Ų137131 Ų13184%0.8480%0.802SS**  trans-143.1121.1165.719.50000110
311T37.3Very low38.7Very low136 Ų136132.4 Ų132.483%0.83481%0.805SS**  trans-86.7123.2-178.3500000112.1
312T39.9Very low38.3Very low145 Ų145133.5 Ų133.589%0.8980%0.801SS**  trans-151.8126.4142.5-40000114.2
313T36.6Very low37.9Very low126 Ų126132.4 Ų132.477%0.77380%0.799SS**  trans-48.7133.6169.6-49.40000115
314A40.7Very low37.7Very low99 Ų99135.2 Ų135.282%0.81880%0.8SS**  trans-150.2133.6150.100000109.7
315N40Very low37.5Very low152 Ų152133.6 Ų133.681%0.81380%0.796SS**  trans-99138-175.9-60.5-32.2000111.8
316S43.9Very low37.1Very low115 Ų115134.6 Ų134.680%0.80480%0.796SS**  trans-163116.4146.439.30000111.6
317N36.7Very low36.6Very low160 Ų160133.8 Ų133.886%0.85679%0.794SS**  trans-81.8138.2169.7-71.8-8.8000110
318C33.8Very low36.4Very low128 Ų128134.1 Ų134.187%0.86580%0.796SS**  trans-139.362.9163.851.80000111.4
319T35.7Very low36.3Very low116 Ų116134.7 Ų134.771%0.71279%0.793SS**  trans-71.3123.7165.948.80000110.6
320N38.3Very low36Very low169 Ų169136.8 Ų136.890%0.90479%0.792SS**  trans-155138.5153.6-92.4-36.9000108.4
321N36Very low35.6Very low151 Ų151140.1 Ų140.181%0.80780%0.795SS**  trans-105.8147.6-168.8-51-37.8000111.4
322H38.9Very low35.3Very low159 Ų159139.5 Ų139.574%0.73679%0.791SS**  trans-159.9145.9140.6-126.8-106.1000111.2
323E34.2Very low34.7Very low149 Ų149137.6 Ų137.670%0.69678%0.782SS**  trans22131.6152.1-70.1170.215400120.3
324L36.3Very low34.4Very low149 Ų149139.5 Ų139.578%0.7878%0.783SS**  cis-135.6135.46.2-67.597.6000108.6
325T34.1Very low34.1Very low111 Ų111142.1 Ų142.168%0.68178%0.778SS**  57.8112.469.856.10000116.8
326N29.4Very low33.5Very low157 Ų157141.8 Ų141.884%0.8478%0.776SS**  trans68.9145.2167.1-55.5-21.4000116.7
327C28.2Very low33Very low106 Ų106144.4 Ų144.472%0.71678%0.775SS**  cis-128.4147.717.4-61.10000114.1L329C327-L329 HydrophobicContact CB-CG 4.34Å
328T32.7Very low32.8Very low125 Ų125143.9 Ų143.977%0.76777%0.771SS**  trans-93.8123.2145.1-65.60000107.7
329L33.4Very low32.6Very low144 Ų144142.8 Ų142.875%0.75477%0.765SS**  trans-133.5116.7161.8-69.3173.7000106.4C327C327-L329 HydrophobicContact CB-CG 4.34Å
330N30.9Very low32.7Very low138 Ų138142.5 Ų142.574%0.73877%0.765SS**  68.413256.9-82.2-6.9000115.9
331F29.9Very low32.3Very low207 Ų207141.5 Ų141.591%0.90877%0.765SS**  trans-63.5123160-88.2-110.6000111
332T31.2Very low32.1Very low123 Ų123137.7 Ų137.776%0.75576%0.761SS**  trans-164122.3144.4280000105.1
333C28.4Very low31.5Very low105 Ų105140.9 Ų140.971%0.70977%0.768SS**  71.8114.853.5-1580000113.3
334Q30.4Very low31.4Very low167 Ų167142.8 Ų142.878%0.7877%0.774SS**  trans81.2146.9157.3-78.2176.613.500122.7
335Q34.4Very low31.2Very low154 Ų154140.2 Ų140.272%0.7277%0.769SS**  trans61.8124158.3-99.761.3-5.900122.7
336N27.3Very low31.1Very low145 Ų145141.6 Ų141.678%0.77577%0.771SS**  trans-60.7147.1161.4-46.1-66.2000112.1
337H33.5Very low31.3Very low169 Ų169141.4 Ų141.478%0.78277%0.769SS**  trans-162.6113.4134.9-91.5-64.3000108.1
338I32.8Very low31.5Very low150 Ų150144.4 Ų144.477%0.76978%0.775SS**  72.5128.798-64.5-176.5000115
339S29.2Very low31.7Very low105 Ų105143 Ų14373%0.73477%0.768SS**  trans-56.4-176.6175.4-380000114.4
340P37.2Very low31.8Very low110 Ų110143 Ų14371%0.71477%0.769SS**  cis-152.6-176.219.445.2-23.6000119.7
341V29.9Very low31.9Very low148 Ų148142 Ų14290%0.89777%0.773SS**  trans64.6143144.6160.40000120.7
342G32.8Very low32Very low71 Ų71137 Ų13773%0.73276%0.762SS**  trans143103.4147.100000116.8
343Y26.2Very low32.1Very low225 Ų225139.3 Ų139.388%0.88276%0.764SS**  trans-103.7138.5166.3-104.1-83.7000110.6
344K31Very low32.3Very low189 Ų189140.9 Ų140.982%0.82276%0.761SS**  trans61.2124.9167.1-56.7-178.8176.2-1780115.1
345S32.2Very low32.5Very low96 Ų96141.9 Ų141.967%0.67176%0.759SS**  179.514865.4-100.10000112.9
346I32.3Very low32.5Very low140 Ų140140.2 Ų140.272%0.71876%0.755SS**  trans70116.6134.7-61.6170.9000119.4
347D32.4Very low32.8Very low152 Ų152139.4 Ų139.481%0.81375%0.751SS**  trans68.8115.2145-56-5.1000124.4
348M32.5Very low33.1Very low169 Ų169140.6 Ų140.683%0.83376%0.756SS**  trans-58.6163.4150-156.949.786.200109.5
349P38.7Very low33.1Very low96 Ų96141 Ų14162%0.62376%0.76SS**  cis-161174.939.847.3-25.2000122.6
350N33.9Very low33.3Very low144 Ų144143.9 Ų143.977%0.7777%0.766SS**  trans79.6148.8143-70.6-18.5000123.2
351S34.6Very low33.1Very low117 Ų117143.1 Ų143.182%0.81876%0.763SS**  trans81.3135.5157.5-160.30000118.4
352C30.7Very low33.4Very low101 Ų101142.2 Ų142.268%0.68275%0.753SS**  cis-178.4133.9-33.5-114.70000109.5
353Q33.3Very low33.5Very low172 Ų172146.9 Ų146.980%0.80475%0.753SS**  trans64.6167160.2-53173.9-17.500115.4
354H33.8Very low33.7Very low139 Ų139143 Ų14364%0.64475%0.747SS**  cis-160.4130.223.1-153.8-90.6000112
355Y33.8Very low33.9Very low187 Ų187139.4 Ų139.473%0.73375%0.746SS**  trans58.7113.7149.3-78-119.3000124
356D34.8Very low34.1Very low120 Ų120139.8 Ų139.864%0.64275%0.749SS**  59.7121.5115.5-74-34.5000125.4
357N33.3Very low34.4Very low127 Ų127138.2 Ų138.268%0.67975%0.75SS**  trans57.8121.5130.7-58.6-47000121.9
358H40.1Very low34.8Very low194 Ų194136.3 Ų136.390%0.89875%0.749SS**  -166.7140.4105.1-103.5-73.1000112.4
359N32.4Very low35.3Very low160 Ų160133.3 Ų133.386%0.85674%0.742SS**  trans-77.6138.2172-100.8-33.6000111.6
360L34.3Very low35.1Very low164 Ų164136.4 Ų136.486%0.85975%0.752SS**  trans-155.2148.1148.4-111.3171000110.6
361S31.4Very low35.1Very low94 Ų94134.2 Ų134.266%0.65775%0.748SS**  trans-81.817217753.80000111.9
362L36Very low35.2Very low129 Ų129133.6 Ų133.668%0.67574%0.743SS**  173.4157122.4-94.8167000114.6
363F35.8Very low35.3Very low169 Ų169134.5 Ų134.574%0.74175%0.745SS**  trans50.1147.9163.7-58.8-65.3000119.8
364L31Very low35.8Very low144 Ų144132.2 Ų132.275%0.75475%0.745SS**  cis147.1160.5-18.7-107.6162.5000107.6
365S33.9Very low35.5Very low114 Ų114131.2 Ų131.280%0.79775%0.749SS**  trans83.2140.9172.8-39.10000114.8
366S37.3Very low35.3Very low104 Ų104128 Ų12873%0.72775%0.753SS**  cis-158.6146.90.547.30000113.4
367S38.6Very low35.1Very low106 Ų106128.9 Ų128.974%0.74175%0.753SS**  trans60.3123.1149.6-52.80000119.8
368S41Very low34.8Very low113 Ų113129.6 Ų129.679%0.7976%0.761SS**  cis86153.738.4-61.90000114.8
369P41.7Very low34.6Very low106 Ų106127.8 Ų127.869%0.68875%0.751SS**  cis-146-174.9-31.137.6-17.8000115.2
370I35.6Very low34.4Very low161 Ų161125.7 Ų125.783%0.82674%0.744SS**  trans58.8148.7165.213.3178.6000117.1
371S34.1Very low34.2Very low98 Ų98126.2 Ų126.269%0.68575%0.747SS**  cis-153.7173.14.9-156.10000107.9
372S36.3Very low34.1Very low103 Ų103127.8 Ų127.872%0.7275%0.753SS**  cis-149.6-174.714.4-66.10000110.5
373V32.4Very low34Very low120 Ų120127.3 Ų127.373%0.72776%0.76SS**  trans-134.7162.5167.1-147.10000109.5T375V373-T375 HydrophobicContact CG1-CG2 4.16Å
374P43.7Very low33.8Very low125 Ų125124.8 Ų124.881%0.81276%0.764SS**  -133.1153.411538-30.8000114.1
375T28.8Very low33.9Very low117 Ų117123.8 Ų123.872%0.71877%0.769SS**  trans-102.6-170.1-179.346.70000111.9V373V373-T375 HydrophobicContact CG1-CG2 4.16Å
376C28.1Very low33.7Very low120 Ų120123.4 Ų123.481%0.81177%0.766SS**  trans86.3140.1170.1-56.80000115.5
377E31.5Very low33.4Very low138 Ų138125.4 Ų125.465%0.64577%0.767SS**  cis-126.6149.9-1.2-69.3-172.5123.200112.1K379E377-K379 WeakPolarHBondContact OE1-CE 3.3Å; E377-K379 IonicContact OE1-NZ 2.99Å; E377-K379 PolarHBondContact OE1-NZ 2.62Å; E377-K379 WeakPolarHBondContact OE2-CE 3.39Å; E377-K379 IonicContact OE2-NZ 3.7Å; E377-K379 PolarHBondContact OE2-NZ 2.92Å
378V27.9Very low33.1Very low142 Ų142128.6 Ų128.686%0.86177%0.77SS**  trans-109.8123.9155.3175.30000106.7
379K34.8Very low32.7Very low157 Ų157131.4 Ų131.468%0.68377%0.77SS**  trans-117.1113173.7-87.3174.9176.7146.50110.7E377E377-K379 WeakPolarHBondContact OE1-CE 3.3Å; E377-K379 IonicContact OE1-NZ 2.99Å; E377-K379 PolarHBondContact OE1-NZ 2.62Å; E377-K379 WeakPolarHBondContact OE2-CE 3.39Å; E377-K379 IonicContact OE2-NZ 3.7Å; E377-K379 PolarHBondContact OE2-NZ 2.92Å
380T27.5Very low32.3Very low115 Ų115131.4 Ų131.471%0.70677%0.768SS**  trans-69.8128.7179.1-36.50000110.8T382T380-T382 HydrophobicContact CG2-CG2 3.99Å
381L31.9Very low32.3Very low176 Ų176131.3 Ų131.392%0.92177%0.769SS**  trans-126.8124.4153.9-81.9177.5000109.2
382T29.3Very low32.4Very low127 Ų127132.4 Ų132.478%0.77977%0.772SS**  trans-100.1121-174.950.20000110.7T380T380-T382 HydrophobicContact CG2-CG2 3.99Å
383S33.3Very low32.4Very low118 Ų118133.1 Ų133.183%0.82578%0.777SS**  trans-152.1120.6159.156.10000110.4
384S30.9Very low32.3Very low117 Ų117134.9 Ų134.982%0.81878%0.781SS**  trans-61.7145.5179.7-42.40000112.6
385S32.5Very low31.9Very low123 Ų123134.6 Ų134.686%0.8678%0.777SS**  -178.6158.6115.8-79.20000113.2
386S30.7Very low32.2Very low106 Ų106137 Ų13774%0.74178%0.781SS**  trans-52.5142.2-172.7-52.40000117.3
387I30.2Very low32.3Very low145 Ų145140.2 Ų140.274%0.74479%0.786SS**  35.6111.4124.5-50.8166.9000116.4
388H33.5Very low32.4Very low174 Ų174140.3 Ų140.381%0.80679%0.789SS**  -163.3137.3115.3-105.4-78000110.4
389H31.3Very low32.8Very low172 Ų172141.9 Ų141.980%0.79679%0.787SS**  trans-72.3134.2167.6-106.3-80.1000109
390V33.8Very low32.6Very low105 Ų105139.5 Ų139.564%0.63679%0.79SS**  trans-131.6109.5171.8-167.70000109T392V390-T392 HydrophobicContact CG1-CG2 3.72Å; V390-T392 PolarHBondContact O-N 2.93Å
391N35Very low33.1Very low159 Ų159140.2 Ų140.285%0.8580%0.795SS**  trans-82.7105.2161.1-81.66.2000107.2S393N391-S393 PolarHBondContact O-N 3.21Å
392T37.8Very low33.1Very low122 Ų122139.3 Ų139.375%0.74879%0.791SS**  trans-83.796.7179500000111.1V390V390-T392 HydrophobicContact CG1-CG2 3.72Å; V390-T392 PolarHBondContact O-N 2.93Å
393S35.5Very low33.3Very low118 Ų118142.7 Ų142.783%0.82580%0.795SS**  trans-92.4137.1145.4-1710000107.7N391N391-S393 PolarHBondContact O-N 3.21Å
394L29.7Very low33.3Very low156 Ų156143 Ų14382%0.81779%0.792SS**  trans-124.2108.6-163.9-166.3175.1000110.3
395T36Very low33.5Very low120 Ų120145.3 Ų145.374%0.73679%0.79SS**  trans-142.7140.7167.1-12.20000111.2
396E35Very low33.4Very low168 Ų168146.2 Ų146.279%0.78578%0.784SS**  trans59.288.8164.3-49.4-158.4162.700118.6
397M29.8Very low33.7Very low186 Ų186150 Ų15092%0.91679%0.788SS**  trans-126107.5138.5-167.6179.1-63.100109.5
398I35Very low34.1Very low141 Ų141151.1 Ų151.172%0.72379%0.789SS**  trans-81.8115.3177.9-62169.4000109.4
399Q35.9Very low34.2Very low175 Ų175151.3 Ų151.382%0.81879%0.79SS**  trans-161.8106.3146.8-115.5149.487.100114.2
400S30Very low34.6Very low106 Ų106151.9 Ų151.974%0.74179%0.793SS**  trans14.7114.5143.156.80000120.1
401T37.2Very low34.7Very low130 Ų130154 Ų15480%0.79880%0.795SS**  trans-147.7125.1135.719.30000109.9
402N31.8Very low34.8Very low157 Ų157155.7 Ų155.784%0.8480%0.798SS**  trans-76.7138.8161.4-90.5-41.2000108.7
403F34.7Very low34.7Very low199 Ų199156.6 Ų156.687%0.87379%0.793SS**  trans-141.278.7165-123.4-77.1000111.8
404T33.8Very low34.6Very low123 Ų123160 Ų16076%0.75580%0.796SS**  trans-82.3116.8159.649.10000109
405E34Very low34.9Very low166 Ų166156.7 Ų156.778%0.77678%0.784SS**  trans-174.2125.1132.7-105.2-165.8151.100114.9
406L30.7Very low34.9Very low143 Ų143157.4 Ų157.475%0.74978%0.783SS**  trans36.9109.3132.7-60.2173.5000121
407K37.2Very low35Very low186 Ų186156.6 Ų156.681%0.80978%0.78SS**  trans-178.3142.1131.5-97.9154-178.9175.40109.2
408H39.2Very low35.2Very low168 Ų168155.9 Ų155.978%0.77877%0.774SS**  cis-146.8170.9-5.9-117.8-23.8000109.3
409H35.1Very low35.2Very low178 Ų178156.9 Ų156.982%0.82478%0.775SS**  trans-70139.3174.8-72.20.6000112.7
410H39.8Very low35Very low183 Ų183157.8 Ų157.885%0.84778%0.78SS**  -136142.4123.4-121.863.6000111
411H34.8Very low35Very low150 Ų150161.8 Ų161.869%0.69478%0.779SS**  trans-125.5121.2-173.8-156.773.1000106.3
412H37.4Very low34.5Very low194 Ų194166.2 Ų166.290%0.89878%0.781SS**  trans-138.9140.2164.6-122.9-85.4000109.8
413H35.3Very low34.4Very low142 Ų142168.5 Ų168.566%0.65778%0.778SS**  trans-138.2107.5-151.8-172.5-55.5000108.4
414E35.2Very low34.3Very low188 Ų188163.4 Ų163.488%0.87977%0.767SS**  trans-144115.4169.9-163173.6155.900111.4
415P35.7Very low34Very low87 Ų87166 Ų16657%0.56578%0.775SS**  trans-107.2136.917035.2-26.1000111.1
416N35.6Very low33.6Very low136 Ų136163.3 Ų163.373%0.72778%0.775SS**  trans-165.3121.2142.9-100.2-42.3000115.3
417Q37.3Very low33.7Very low151 Ų151161.6 Ų161.671%0.70677%0.774SS**  trans50.9111.3131.7-65.2-17966.100121.8
418Q33.9Very low33.4Very low171 Ų171161.4 Ų161.480%0.79978%0.776SS**  49.9110.4125.3-61.1-177.8-6.500119.4
419Q35Very low33.2Very low161 Ų161158.3 Ų158.375%0.75277%0.774SS**  -149.3103.9125.5-124.8170107.300113.1
420Q30.7Very low33.1Very low195 Ų195156.7 Ų156.791%0.91177%0.771SS**  trans-76.1125.1156.2-71.9179.8-18.100108.4
421R31.6Very low32.9Very low189 Ų189155.2 Ų155.271%0.71378%0.775SS**  trans-137.7132.9158.9-75.8-164.7-176.6-128-0.2110.1
422R25.4Very low32.6Very low224 Ų224153.9 Ų153.985%0.84578%0.782SS**  trans-119.5108.3-179.5171.7-148.5-63.9-167.7-3.1107.5
423W30Very low32.4Very low204 Ų204149.6 Ų149.677%0.77377%0.774SS**  trans-142.1126.6171.8-58.188000106.7
424S33Very low32.2Very low93 Ų93150.1 Ų150.165%0.6578%0.781SS**  cis80.1136.743.6-56.40000112.8
425L26.5Very low32Very low178 Ų178148.9 Ų148.993%0.93278%0.78SS**SBendtrans-64.7169.1-178.3-64.7106000112.9
426S26.5Very low31.8Very low109 Ų109149.3 Ų149.376%0.76279%0.79SS**  trans81.6144.8-175.1-150.70000112.2
427S33.6Very low31.7Very low106 Ų106147.3 Ų147.374%0.74179%0.787SS**  cis-143.3162.525-60.60000115.6
428Q29.8Very low31.7Very low182 Ų182147.7 Ų147.785%0.8579%0.789SS**  trans-70.9-170.9155.2-63.7173.2-34.500110.8
429S35.9Very low31.9Very low104 Ų104148.2 Ų148.273%0.72779%0.791SS**  trans71.4142.5-177.873.80000116.4
430D31.8Very low31.8Very low144 Ų144143.9 Ų143.977%0.7779%0.79SS**  cis-159.2147.3-16.2-100.2-25.2000108.6
431V36.1Very low31.8Very low152 Ų152142.3 Ų142.392%0.92179%0.785SS**  trans-173.1125.8133.2-95.90000110.4
432S29.2Very low32.1Very low121 Ų121138.4 Ų138.485%0.84678%0.782SS**  trans-107.8138.3172.3-50.30000111.4
433S31.7Very low32.4Very low105 Ų105134.4 Ų134.473%0.73478%0.776SS**  trans-162.5133.2157.762.60000113
434L31.6Very low32.4Very low153 Ų153134.9 Ų134.980%0.80178%0.784SS**  trans62.5101.7157.5-57.2164.2000115.7
435L31.3Very low32.5Very low162 Ų162137.4 Ų137.485%0.84879%0.786SS**  cis67.4113.144.2-51.2170.2000115.1
436A32.1Very low32.8Very low95 Ų95133 Ų13379%0.78577%0.77SS**  154.9151.4110.300000114.2
437S33.1Very low33.4Very low94 Ų94137.8 Ų137.866%0.65778%0.777SS**  trans62.1128.3172.3-62.70000118.9
438E38Very low33.2Very low160 Ų160140.5 Ų140.575%0.74878%0.782SS**  cis82.7139.744.5-62.3153.6154.400112
439E36.4Very low33.5Very low181 Ų181139.4 Ų139.485%0.84678%0.782SS**  cis-161.6160.53.1-128.7178.8-179.600112.8
440G33.9Very low33.3Very low70 Ų70139 Ų13972%0.72278%0.776SS**  trans84.1162.6157.600000119.1
441M31.4Very low33.5Very low163 Ų163139.2 Ų139.280%0.80378%0.777SS**  cis-161.5144.8-6.5-108.3-74.2-83.500111.1
442T37.8Very low33.6Very low107 Ų107136 Ų13666%0.65677%0.766SS**  trans47.1118.2161.150.40000120.3
443L30.1Very low33.9Very low139 Ų139138.3 Ų138.373%0.72876%0.763SS**  72.3114.458.8-173.276.2000114.9E445L443-E445 HydrophobicContact CD1-CG 4.5Å
444F31.8Very low33.9Very low215 Ų215139.6 Ų139.694%0.94376%0.761SS**  trans-147.5116.7142.9-133.6-92.8000112.3
445E35Very low34.1Very low146 Ų146140.3 Ų140.368%0.68276%0.758SS**  trans-74.2178.1166.9-87.1-160.4101.200111.9L443L443-E445 HydrophobicContact CD1-CG 4.5Å
446S32.7Very low34.3Very low85 Ų85140.2 Ų140.259%0.59475%0.753SS**  cis-172.9166.7-29.363.10000106
447K37.6Very low34.4Very low209 Ų209141.1 Ų141.191%0.90975%0.751SS**  trans-171.4105.5148.1-109.4157.8-171.2173.90112.6
448L30.7Very low34.7Very low164 Ų164144.1 Ų144.186%0.85976%0.758SS**  trans-76.1151.5161-75.3157000109.9
449N34.8Very low34.6Very low158 Ų158142.1 Ų142.185%0.84576%0.759SS**  trans-137.7131.7146.8-168.727.2000109.5
450T33.5Very low34.5Very low96 Ų96141.3 Ų141.359%0.58976%0.759SS**  trans-112150.2-177.851.60000109.9
451N34.4Very low34.3Very low148 Ų148149.4 Ų149.479%0.79177%0.768SS**  164.3142.2128.6-90.2-56.7000112.9
452A38Very low34.4Very low84 Ų84146 Ų14669%0.69477%0.765SS**  trans54.6142.5147.300000120.6
453Q36.2Very low34.2Very low170 Ų170148.6 Ų148.679%0.79477%0.768SS**  cis-155.3172.6-8-122.1-166.36800110.1
454L32.5Very low34.3Very low132 Ų132148.8 Ų148.869%0.69178%0.775SS**  trans-21.7147.6172.6-74.672.6000116.2
455K35Very low34.4Very low168 Ų168145.6 Ų145.673%0.7377%0.767SS**  -167.2123.165.5-154.6140.7-179.1-178.20117.4
456H35Very low34.5Very low160 Ų160144.5 Ų144.574%0.74177%0.772SS**  trans71.1149.9159.6-57.2-40000121.1
457P35.2Very low34.7Very low115 Ų115145.8 Ų145.875%0.74778%0.777SS**  trans-130.3172.7-160.641.6-23.2000116.8
458I38.5Very low34.6Very low156 Ų156143 Ų14380%0.877%0.772SS**  trans-79.9147.2163.1-56.2162.5000109.7
459P36.5Very low34.9Very low118 Ų118140.1 Ų140.177%0.76677%0.771SS**  trans-128.1125.4155.533.5-19.3000113.7
460L33.5Very low35Very low164 Ų164139.2 Ų139.286%0.85977%0.771SS**  trans-98.6147.6162.7-79171.1000110.5
461R31Very low35.3Very low241 Ų241139.5 Ų139.591%0.90978%0.775SS**  trans67.481.8145.8-158.9177.5-170.4120.8-2.7120.1
462A32.7Very low35.4Very low90 Ų90140.7 Ų140.774%0.74478%0.776SS**  64.9145.7118.900000124.3
463K32.8Very low35.3Very low162 Ų162145.8 Ų145.870%0.70479%0.787SS**  trans108130.8148.5-74.2-176.4175.2174.30121.2
464T33Very low35.5Very low143 Ų143142.5 Ų142.588%0.87778%0.779SS**  trans84.5153148.136.40000121.5
465L34Very low35.7Very low149 Ų149143.5 Ų143.578%0.7879%0.785SS**  trans-103.2169.4-158.4-144.282.9000112.4
466P37.5Very low35.7Very low122 Ų122140.1 Ų140.179%0.79278%0.782SS**  -143.1-164.2111.437.9-22.2000115.6
467T36.1Very low35.7Very low112 Ų112140.7 Ų140.769%0.68779%0.788SS**  trans-108.7167-145.133.50000118.7
468N34.8Very low35.7Very low151 Ų151143.5 Ų143.581%0.80779%0.793SS**  trans78.1120.2150.6-63.2-14.9000122.2
469A36.9Very low35.6Very low103 Ų103140.9 Ų140.985%0.85179%0.788SS**  178.9146.1117.300000115.1
470V37.5Very low35.6Very low139 Ų139141.1 Ų141.184%0.84279%0.788SS**  trans-64.9-176.4176.4-1040000116.2
471P40.1Very low35.7Very low103 Ų103138.8 Ų138.867%0.66978%0.78SS**  cis-139.4172.3-4.524.31.7000119.2
472E35.9Very low36Very low172 Ų172136.5 Ų136.580%0.80478%0.78SS**  trans42136.1141.3-64.2-179.1116.400126
473M36.9Very low35.8Very low191 Ų191139.2 Ų139.294%0.94178%0.782SS**  -162.3151.4104.2-126.4179.169.100115.7
474V39.5Very low35.9Very low101 Ų101142.9 Ų142.961%0.61279%0.793SS**  trans-84.2147.4-156.5-1720000117.3
475N37.9Very low35.9Very low154 Ų154140.6 Ų140.682%0.82478%0.783SS**  trans153.6157130.3-84.4-54.8000114.2
476S34.4Very low35.9Very low96 Ų96139.8 Ų139.867%0.67179%0.785SS**  cis-171.9168.8-40.9-162.60000110.6
477M35Very low35.7Very low173 Ų173139.4 Ų139.485%0.85278%0.78SS**  trans70.9109.6175.5-58.3-179.6175.300116.4
478M35.3Very low35.6Very low174 Ų174140.5 Ų140.586%0.85778%0.781SS**  82.8107.669-79.4-172.5169.400113.8
479S36.6Very low35.8Very low101 Ų101140 Ų14071%0.70677%0.774SS**  94.5143.985.8-68.40000112.5
480T37.1Very low35.9Very low123 Ų123142 Ų14276%0.75577%0.765SS**  cis-157.7148.84.6-0.30000112.3
481T35.3Very low35.8Very low114 Ų114141.8 Ų141.870%0.69976%0.755SS**  trans3.7139.2151.255.70000121.9
482Q36.2Very low35.4Very low193 Ų193142.3 Ų142.390%0.90275%0.752SS**  -167.8143107.9-107.7176.9-7.300113.5
483D29.6Very low35.4Very low147 Ų147139.8 Ų139.879%0.78674%0.744SS**  trans-93.6158.5179.1-51.7-90.8000113.1
484Y34Very low35.3Very low239 Ų239138.9 Ų138.994%0.93774%0.735SS**  trans-155.9154.2144-114.2-76.8000111
485S32.7Very low34.9Very low96 Ų96141.1 Ų141.167%0.67174%0.743SS**  trans-116.5166.5-171.756.90000113.1
486T34.8Very low34.8Very low132 Ų132142.9 Ų142.981%0.8175%0.746SS**  152.7140.5126.5-630000113.7
487V32.5Very low34.8Very low113 Ų113142.5 Ų142.569%0.68575%0.749SS**  trans-56.5150.7176.4176.70000115.4
488D34.8Very low34.5Very low135 Ų135144.4 Ų144.472%0.72275%0.748SS**  trans-162.1133.1140.3-102.1-25.5000109.7
489H39.6Very low34.4Very low141 Ų141144.9 Ų144.965%0.65375%0.748SS**  62.9136.292.7-70.434000114
490H38.1Very low33.9Very low146 Ų146148.3 Ų148.368%0.67675%0.75SS**  cis-163.8171.15.8-122.9-55.6000111
491Q36.2Very low34Very low134 Ų134147 Ų14763%0.62674%0.744SS**  trans67.5125.7150.4-105.743.38.600122.8
492N31.2Very low33.6Very low114 Ų114150 Ų15061%0.6175%0.748SS**  48.3150.2116-64.446.4000121.2
493D35.8Very low33.3Very low119 Ų119147.9 Ų147.964%0.63674%0.743SS**  cis-159.6167.17.5-121.4-33.1000112.9
494F34.4Very low33.4Very low172 Ų172145.4 Ų145.475%0.75474%0.737SS**  trans43.1112.8159.3-82.1-97.1000122.7
495L31.2Very low33.2Very low147 Ų147143.2 Ų143.277%0.7773%0.729SS**  18.4124.8129.8-66.1168.5000119.6
496H35.6Very low33.4Very low192 Ų192145.2 Ų145.289%0.88973%0.732SS**  -165.6160.4119.5-123.1-96.3000114.3
497A35.5Very low33.2Very low88 Ų88144.8 Ų144.873%0.72772%0.724SS**  trans61.8114.316100000120.3
498Y28.4Very low33.2Very low213 Ų213145.7 Ų145.784%0.83573%0.725SS**  trans-63.3139.4153.7-85-117.6000110.6
499Q32.5Very low33.2Very low183 Ų183148.2 Ų148.286%0.85573%0.73SS**  trans-152.9106.8154-163.164.964.400112.3
500F27.5Very low32.6Very low173 Ų173150.2 Ų150.276%0.75974%0.737SS**  trans-97.5176.3158.8-87.2-76.2000108.6
501P38.2Very low32.3Very low97 Ų97148.2 Ų148.263%0.6374%0.738SS**  cis-134-168.2-1017.59.9000114.1
502F27.9Very low32Very low177 Ų177147.6 Ų147.678%0.77674%0.744SS**  trans89139.8151.7-77.2-69.7000122.6
503N29.5Very low31.9Very low147 Ų147146.6 Ų146.679%0.78675%0.751SS**  trans69.6146.4161.9-60.6-8.7000116.9
504S31.8Very low31.7Very low96 Ų96147.5 Ų147.567%0.67176%0.755SS**  cis-153.6163.91.9-145.40000113.1
505Y29.4Very low31.7Very low193 Ų193145.9 Ų145.976%0.75775%0.754SS**  trans6.3122150.7-84.2-100.3000119.4
506N36.1Very low31.7Very low138 Ų138146.2 Ų146.274%0.73876%0.756SS**  173.711499.1-89.2-46.1000113.5
507D30.8Very low32Very low123 Ų123142.3 Ų142.366%0.65875%0.748SS**  42.5125.4111-90.942.5000122.6
508N32.6Very low31.8Very low131 Ų131145.4 Ų145.470%0.70175%0.749SS**  trans90.8129.6139.2-71.7-54.7000122
509K35.2Very low32.1Very low189 Ų189142 Ų14282%0.82274%0.744SS**  trans74.3148.1158.9-68.3174.7-178.6175.70118.5
510F27.7Very low32.1Very low183 Ų183140.1 Ų140.180%0.80374%0.735SS**  cis-176.1167.1-30.9-134.9-90.5000105.8
511C30.7Very low32.4Very low104 Ų104137.2 Ų137.270%0.70374%0.736SS**  trans74118.7174.6-54.90000115.1
512T29.8Very low32.6Very low121 Ų121137.8 Ų137.874%0.74274%0.738SS**  7189.255.7-53.60000110.5
513A29.4Very low33.2Very low92 Ų92135 Ų13576%0.7674%0.738SS**  99.8178.760.400000112.4
514I32.5Very low33.3Very low139 Ų139138.1 Ų138.171%0.71374%0.739SS**  trans89.991.2171.2-50.3176.9000117.2
515N32.9Very low33.6Very low138 Ų138142 Ų14274%0.73875%0.751SS**  51.2117.8125.1-49.6-19.4000122.9
516N31.6Very low34.1Very low154 Ų154140.3 Ų140.382%0.82475%0.75SS**  32.6159.896.8-80.5-3.6000120.8
517P41.9Very low34.4Very low109 Ų109139.4 Ų139.471%0.70875%0.752SS**  cis-145.4-159.2-26.937.5-15.6000113.8
518M31.9Very low35.7Very low153 Ų153139.4 Ų139.475%0.75476%0.758SS**  trans129138.5138.1-66.4-151.4103.800120.6
519I35.1Very low36.1Very low143 Ų143138.7 Ų138.773%0.73376%0.761SS**  trans64129.8141.6-73.8168.2000120.1
520E31.1Very low36.1Very low142 Ų142136.7 Ų136.766%0.66476%0.757SS**  cis-135.5-116.2-23.3-165.9-157.8114.400110.5T522E520-T522 PolarHBondContact OE1-N 3.02Å; E520-T522 PolarHBondContact OE1-OG1 3.38Å
521S34.9Very low36.5Very low112 Ų112134.8 Ų134.878%0.78376%0.761SS**  cis-145.6134.52.3-63.30000111.5
522T41.2Very low36.7Very low110 Ų110136 Ų13668%0.67576%0.759SS**  trans-98.9160-178-23.50000112.6E520E520-T522 PolarHBondContact OE1-N 3.02Å; E520-T522 PolarHBondContact OE1-OG1 3.38Å
523P40.6Very low37.2Very low117 Ų117138.3 Ų138.376%0.7676%0.761SS**  -154.5148.792.238.8-19.5000118.7
524R32.2Very low37.6Very low214 Ų214138.2 Ų138.281%0.80876%0.755SS**  trans39.1129.3144.7-75.8-177.8161.3-166-5.8122.5
525L39.4Very low37.9Very low177 Ų177137.2 Ų137.293%0.92776%0.76SS**  -151.2164.6113.6-106.5166.3000110.3
526Q39.5Very low38.4Very low158 Ų158136.3 Ų136.374%0.73876%0.762SS**  trans-111.2152-166.2-70.6174.6-10400114.7
527P42.6Very low38.7Very low119 Ų119137.1 Ų137.177%0.77377%0.765SS**  trans-101.4156.6170.738.5-33.4000114.2
528P58.1Low38.4Very low123 Ų123139 Ų13980%0.79977%0.768SS**  trans-102167.5163.637.6-30.7000113.1
529P40.9Very low38.7Very low115 Ų115141.7 Ų141.775%0.74778%0.776SS**  trans-110.4160-158.340.4-35000117.7
530I33.8Very low38.5Very low147 Ų147141.6 Ų141.675%0.75478%0.777SS**  trans17.1125.8141.6-46.7169.5000118.3I532I530-I532 HydrophobicContact CG2-CG1 4.42Å
531T37.3Very low38.9Very low144 Ų144140.5 Ų140.588%0.88379%0.785SS**  trans-149.6151.2140.8-72.60000109.5
532I34.9Very low39Very low130 Ų130143.4 Ų143.467%0.66779%0.786SS**  trans-111.9143.6-169.7-52.7160000108.7I530I530-I532 HydrophobicContact CG2-CG1 4.42Å
533H38.8Very low39.1Very low169 Ų169147.4 Ų147.478%0.78280%0.796SS**  167.1147.1128-101.9-83.6000117.4
534S38.6Very low39Very low90 Ų90146.1 Ų146.163%0.62979%0.791SS**  trans70.395.1142.6-600000122.3
535S39.3Very low39.5Very low117 Ų117143.3 Ų143.382%0.81879%0.791SS**  61.8143.2117.2-52.50000122.9
536P43.6Very low39.4Very low120 Ų120140.3 Ų140.378%0.77979%0.785SS**  trans-99.6172.4-177.941-37.5000114.5
537I38.2Very low39.5Very low171 Ų171140.6 Ų140.688%0.87779%0.79SS**  trans-155154.7153.2-105.3151.3000110.6
538L34.1Very low39.4Very low149 Ų149141.1 Ų141.178%0.7879%0.791SS**  trans-71.9160.3-174.7-62.2133.4000114.2
539F37.9Very low38.4Very low208 Ų208140.1 Ų140.191%0.91279%0.788SS**  trans-152.6146.3132.9-125.9-82.6000113.2
540N31.8Very low38.5Very low142 Ų142140 Ų14076%0.75979%0.787SS**  trans-81.2157.2176.7-71.5-12.1000112.1
541S38.7Very low38.7Very low119 Ų119138.7 Ų138.783%0.83279%0.791SS**  -162.2170.2110-151.40000113
542Q38.1Very low38.7Very low173 Ų173137.4 Ų137.481%0.80879%0.788SS**  trans-92.5158.9-172.4-59.4161.4-32.800112.4
543H42.8Very low39Very low193 Ų193137 Ų13789%0.89480%0.796SS**  -151.1150.3129.5-109.3-77.5000109.9
544S38.5Very low39.2Very low91 Ų91134.6 Ų134.664%0.63679%0.793SS**  trans-87.4159.9179.255.20000112
545D42.8Very low39.4Very low154 Ų154138 Ų13882%0.82480%0.803SS**  -170.8161.1105.1-88-7.1000111.9
546S36.6Very low39.4Very low114 Ų114140.9 Ų140.980%0.79780%0.803SS**  trans-93.1148.8-167.2-56.80000113.2
547I42.3Very low39.6Very low164 Ų164144.8 Ų144.884%0.84181%0.808SS**  trans-165.8127.4138.4-102.2149.5000112.2
548T40.3Very low40.6Very low130 Ų130140.8 Ų140.880%0.79880%0.8SS**  trans33.8114.3149.5-44.80000121.5
549S37.9Very low42Very low103 Ų103139.2 Ų139.272%0.7280%0.799SS**  trans-90.4-174.2161.163.80000111.5
550P42.7Very low43.4Very low112 Ų112134.9 Ų134.973%0.72779%0.792SS**  cis-131.5173.6-10.641.3-26.6000114.4
551S38.1Very low45Very low120 Ų120133.7 Ų133.784%0.83979%0.792SS**  trans-179133.9135.8-83.20000111.8
552S37.2Very low46.4Very low117 Ų117133.6 Ų133.682%0.81879%0.788SS**  trans-101.1118.6-179.7-59.70000111.8V554S552-V554 PolarHBondContact O-N 2.87Å; S552-V554 VanDerWaalsContact O-N 3.08Å
553S41.6Very low47.5Very low120 Ų120130.9 Ų130.984%0.83979%0.785SS**  trans-72.797176.1-57.10000111.6I555S553-I555 PolarHBondContact O-N 2.95Å; S553-I555 VanDerWaalsContact O-N 3.15Å
554V42.7Very low48.3Very low120 Ų120127 Ų12773%0.72778%0.777SS**  trans-72104.3174.61790000109.8S552 Q556S552-V554 PolarHBondContact O-N 2.87Å; S552-V554 VanDerWaalsContact O-N 3.08Å; V554-Q556 HydrophobicContact CG1-CG 4.3Å; V554-Q556 PolarHBondContact O-N 3.32Å; V554-Q556 VanDerWaalsContact O-N 3.08Å
555I41.9Very low48.9Very low162 Ų162128.8 Ų128.883%0.83179%0.787SS**  trans-73.599170.1-60.4178.4000108.2S553 K557S553-I555 PolarHBondContact O-N 2.95Å; S553-I555 VanDerWaalsContact O-N 3.15Å; I555-K557 PolarHBondContact O-N 3.21Å; I555-K557 VanDerWaalsContact O-N 3.16Å
556Q39.3Very low48.8Very low177 Ų177132.6 Ų132.683%0.82779%0.79SS**  trans-68.6108.8175.8-69.2-177-14.400110.3V554 A558V554-Q556 HydrophobicContact CG1-CG 4.3Å; V554-Q556 PolarHBondContact O-N 3.32Å; V554-Q556 VanDerWaalsContact O-N 3.08Å; Q556-A558 PolarHBondContact O-N 3.11Å
557K47.3Very low49.1Very low202 Ų202131.7 Ų131.788%0.87879%0.789SS**PPolyproline II helixtrans-75.5120171-167.5173.9-175.9178.30108.7I555I555-K557 PolarHBondContact O-N 3.21Å; I555-K557 VanDerWaalsContact O-N 3.16Å
558A60.4Low48.6Very low87 Ų87131.4 Ų131.472%0.71979%0.79SS**PPolyproline II helixtrans-59.7143.1-176.300000112.2Q556Q556-A558 PolarHBondContact O-N 3.11Å
559P63.8Low48.3Very low116 Ų116133.3 Ų133.375%0.75379%0.794SS**PPolyproline II helixtrans-68.8149177.729.4-35000111.4
560P66.4Low48.2Very low116 Ų116135.9 Ų135.975%0.75380%0.799SS**PPolyproline II helixtrans-66.9151.9175.129.5-35000111.5
561P65.8Low47.6Very low117 Ų117137.8 Ų137.876%0.7680%0.802SS**PPolyproline II helixtrans-66.3149.8178.928.4-35.2000111.9
562P68.7Low47.4Very low118 Ų118138.9 Ų138.977%0.76680%0.803SS**PPolyproline II helixtrans-67.4146.1178.728.7-35000111.6
563P61.5Low47.1Very low115 Ų115137.5 Ų137.575%0.74779%0.79SS**PPolyproline II helixtrans-66.8150.6174.929-34.9000111.3
564P58.1Low46.5Very low111 Ų111138.1 Ų138.172%0.72178%0.784SS**PPolyproline II helixtrans-64.9151.8179.427.7-35.2000111.9R566P564-R566 PolarHBondContact O-N 3.05Å
565P52.1Low46.2Very low129 Ų129140.6 Ų140.684%0.83879%0.791SS**PPolyproline II helixtrans-64.4120.1-178.626.8-34.3000110.6A567P565-A567 PolarHBondContact O-N 3.29Å
566R40.7Very low45.6Very low234 Ų234139 Ų13988%0.88378%0.784SS**PPolyproline II helixtrans-70.4122.3171.4-67.5-178.267.9148.10.4108.7P564 N568P564-R566 PolarHBondContact O-N 3.05Å; R566-N568 PolarHBondContact O-N 2.97Å
567A41.5Very low45.2Very low95 Ų95136 Ų13679%0.78578%0.783SS**PPolyproline II helixtrans-61.3134.317100000110.1P565 L569P565-A567 PolarHBondContact O-N 3.29Å; A567-L569 PolarHBondContact O-N 3.21Å
568N32.8Very low44.5Very low159 Ų159132.5 Ų132.585%0.8578%0.778SS**  trans-75.285.9178.7-74.2-29.2000110.5R566 L570R566-N568 PolarHBondContact O-N 2.97Å; N568-L570 PolarHBondContact O-N 2.91Å
569L34.3Very low43.1Very low170 Ų170135.4 Ų135.489%0.8978%0.777SS**  trans-76.5110164.3-117.3157.9000108.1A567 L571A567-L569 PolarHBondContact O-N 3.21Å; L569-L571 PolarHBondContact O-N 3.37Å
570L35.4Very low41.7Very low156 Ų156137 Ų13782%0.81778%0.779SS**  trans-63.7120.9-174.3-73.6169.1000111.1N568 V572N568-L570 PolarHBondContact O-N 2.91Å; L570-V572 PolarHBondContact O-N 3.14Å
571L30.5Very low39.9Very low152 Ų152137.6 Ų137.680%0.79678%0.776SS**  trans-80.596.5174.8-167.175.9000109.3L569 T573L569-L571 PolarHBondContact O-N 3.37Å; L571-T573 HydrophobicContact CD2-CG2 3.78Å; L571-T573 HydrophobicContact CG-CG2 3.97Å; L571-T573 PolarHBondContact O-N 3.05Å; L571-T573 VanDerWaalsContact O-N 3.12Å
572V34.2Very low38.3Very low143 Ų143139.2 Ų139.287%0.86778%0.778SS**  trans-73.6100.3168.9-179.20000108.3L570L570-V572 PolarHBondContact O-N 3.14Å
573T30.2Very low36.7Very low88 Ų88142.8 Ų142.854%0.5479%0.787SS.*  trans-87.2157.4174.651.90000111.7L571L571-T573 HydrophobicContact CD2-CG2 3.78Å; L571-T573 HydrophobicContact CG-CG2 3.97Å; L571-T573 PolarHBondContact O-N 3.05Å; L571-T573 VanDerWaalsContact O-N 3.12Å
574N29.6Very low35.3Very low133 Ų133140.4 Ų140.471%0.71178%0.783SS**  trans70.398.1168.1-53.23.6000116.8
575I36.4Very low34Very low173 Ų173144.2 Ų144.289%0.88779%0.791SS**  -127.4124.1121.4-60.6-176.3000106.5
576D29.3Very low33Very low127 Ų127147.5 Ų147.568%0.67979%0.792SS**  trans-83.5157179-89-69.6000112.9V578D576-V578 PolarHBondContact O-N 3.48Å
577S29.9Very low32.6Very low116 Ų116141.8 Ų141.881%0.81179%0.787SS**  trans-8.7108.6163.4-51.80000117.4
578V33.5Very low31.9Very low127 Ų127141.2 Ų141.277%0.7779%0.79SS**  trans-111.6105.8149.9-1780000108D576D576-V578 PolarHBondContact O-N 3.48Å
579H30.1Very low31.8Very low148 Ų148139.3 Ų139.369%0.68578%0.784SS**  trans-87.7113179.517453.4000109D581H579-D581 IonicContact CE1-OD1 3.25Å; H579-D581 PolarHBondContact CE1-OD1 3.34Å; H579-D581 VanDerWaalsContact CE1-OD1 3.25Å; H579-D581 IonicContact CE1-OD2 3.24Å; H579-D581 PolarHBondContact CE1-OD2 2.97Å; H579-D581 VanDerWaalsContact CE1-OD2 3.24Å; H579-D581 IonicContact ND1-OD1 3.6Å; H579-D581 IonicContact NE2-OD2 3.72Å
580N34.3Very low31.4Very low149 Ų149136.5 Ų136.580%0.79778%0.779SS**  trans-129.293171.8-97.1-17.4000108.7
581D29.8Very low31.2Very low129 Ų129137 Ų13769%0.6978%0.781SS**  trans-72.5165166.9-76.9-12.5000111.2H579H579-D581 IonicContact CE1-OD1 3.25Å; H579-D581 PolarHBondContact CE1-OD1 3.34Å; H579-D581 VanDerWaalsContact CE1-OD1 3.25Å; H579-D581 IonicContact CE1-OD2 3.24Å; H579-D581 PolarHBondContact CE1-OD2 2.97Å; H579-D581 VanDerWaalsContact CE1-OD2 3.24Å; H579-D581 IonicContact ND1-OD1 3.6Å; H579-D581 IonicContact NE2-OD2 3.72Å
582N32.2Very low31.1Very low152 Ų152135.5 Ų135.581%0.81378%0.779SS**  trans78.866.9155-161.935.6000119.7
583M34.7Very low30.9Very low193 Ų193138 Ų13895%0.95178%0.781SS**  trans-152.2150135.8-80.1-61.2-178.400106.2
584G31.1Very low31.1Very low64 Ų64142.7 Ų142.766%0.6680%0.796SS**  cis174.1121.21.800000107.3
585Q30.7Very low31.2Very low192 Ų192144.4 Ų144.490%0.89780%0.798SS**  trans-48.4159.9-168.8-60.5165.1-4.900117.7
586K32Very low31.1Very low198 Ų198144 Ų14486%0.86179%0.792SS**  trans77.4152.1-179.6-58.1176.1175.4174.90113.7
587C32.3Very low31.1Very low114 Ų114144.5 Ų144.577%0.7779%0.794SS**  cis-112.31485.3-67.50000112.9
588G27Very low31.3Very low82 Ų82147.3 Ų147.385%0.84579%0.793SS**  trans-88.8136.9155.300000109.3
589V31.3Very low31.2Very low119 Ų119147.9 Ų147.972%0.72180%0.796SS**  trans-126.8111.8172.3179.40000107.8L591V589-L591 PolarHBondContact O-N 3.25Å
590S25.3Very low31.4Very low112 Ų112145.5 Ų145.578%0.78379%0.793SS**  trans-72.3118168.2-59.30000108.6T592S590-T592 PolarHBondContact O-N 3.02Å
591L30.4Very low31.2Very low166 Ų166143 Ų14387%0.86979%0.787SS**  trans-89.494.9160.9-69.9177.8000107.8V589V589-L591 PolarHBondContact O-N 3.25Å
592T29.7Very low31.2Very low121 Ų121145.2 Ų145.274%0.74280%0.798SS**  trans-64.9162.3164.542.30000110.7S590 E594S590-T592 PolarHBondContact O-N 3.02Å; T592-E594 PolarHBondContact O-N 3.49Å
593E29.7Very low31.1Very low195 Ų195143.3 Ų143.391%0.91179%0.792SS**  trans-58.9121.5-176.8-58.8163.1122.400112
594E34.4Very low30.9Very low186 Ų186138.1 Ų138.187%0.86978%0.78SS**  trans-112.9130.9153.4-73.5-162.614700109.2T592T592-E594 PolarHBondContact O-N 3.49Å
595K30.3Very low30.9Very low170 Ų170143 Ų14374%0.73979%0.786SS**  trans-116.889.6-169.3176-148.9166.2-169.50108.1
596E35.8Very low31Very low165 Ų165144.3 Ų144.377%0.77179%0.789SS**  trans-113109179-81.1-67.1126.300110.9F598E596-F598 PolarHBondContact O-N 2.92Å; E596-F598 VanDerWaalsContact O-N 3.12Å
597D28.8Very low30.9Very low136 Ų136141.1 Ų141.173%0.72778%0.782SS**  trans-77.984.1177-74-69.4000110.5
598F33.2Very low30.8Very low176 Ų176141.7 Ų141.777%0.77279%0.787SS**  trans-134.7123.3173.7-125.9-90.2000114.5E596E596-F598 PolarHBondContact O-N 2.92Å; E596-F598 VanDerWaalsContact O-N 3.12Å
599V31.3Very low31.1Very low138 Ų138146.6 Ų146.684%0.83679%0.788SS**  trans-114.6104.3174.5177.90000109.2
600P35.6Very low31Very low98 Ų98148.2 Ų148.264%0.63679%0.787SS**  trans-76.2133169.4-13.129.7000110.7L602P600-L602 PolarHBondContact O-N 2.87Å
601S29.3Very low31.5Very low96 Ų96151.4 Ų151.467%0.67179%0.792SS**  trans-73.9109.3176.3-167.50000110.8T603S601-T603 PolarHBondContact O-N 3.39Å; S601-T603 PolarHBondContact OG-OG1 3.38Å
602L29.8Very low31.4Very low176 Ų176150.4 Ų150.492%0.92178%0.781SS**  trans-76.668.1174.1-70174.7000111P600P600-L602 PolarHBondContact O-N 2.87Å
603T30.5Very low31.4Very low112 Ų112152.7 Ų152.769%0.68779%0.787SS**  trans-141.145.4-174.7570000112.8S601S601-T603 PolarHBondContact O-N 3.39Å; S601-T603 PolarHBondContact OG-OG1 3.38Å
604A30.3Very low31.3Very low84 Ų84148 Ų14869%0.69477%0.772SS**SBendtrans-157.6162.3168.500000111.3F606A604-F606 PolarHBondContact O-N 3.04Å
605E32Very low31.1Very low168 Ų168148.8 Ų148.879%0.78578%0.776SS**  trans6146.8157.3-66173.9161.700118N607E605-N607 PolarHBondContact O-N 3.29Å
606F32Very low31Very low218 Ų218144.9 Ų144.996%0.95677%0.77SS**  trans-67.182.3136.3-93.1-86.6000108.8A604A604-F606 PolarHBondContact O-N 3.04Å
607N30.4Very low30.7Very low132 Ų132146 Ų14671%0.70678%0.775SS**  trans-121.1134.2173-89.2-33.5000110.9E605 E609E605-N607 PolarHBondContact O-N 3.29Å; N607-E609 PolarHBondContact O-N 2.97Å
608S30.3Very low30.6Very low126 Ų126146.6 Ų146.688%0.88177%0.774SS**  trans-75116.5-170.2-53.20000112.9
609E32.2Very low30.5Very low185 Ų185143.6 Ų143.686%0.86477%0.772SS**  trans-140.587.5161.5-121.7170.5-167.300112.6N607 M611N607-E609 PolarHBondContact O-N 2.97Å; E609-M611 PolarHBondContact O-N 3.42Å
610E29.2Very low30.3Very low152 Ų152146 Ų14671%0.7177%0.767SS**  trans2969.6143-159172.116200119.2K612E610-K612 HydrophobicContact CG-CB 3.75Å; E610-K612 PolarHBondContact O-N 3.47Å; E610-K612 VanDerWaalsContact OE1-CD 3.24Å; E610-K612 WeakPolarHBondContact OE1-CD 3.44Å; E610-K612 IonicContact OE1-NZ 3.96Å
611M35.5Very low30.4Very low180 Ų180147.5 Ų147.589%0.88777%0.769SS**  trans-75.367.2154.3-84.1-161.5170.200111.5E609 L613E609-M611 PolarHBondContact O-N 3.42Å; M611-L613 PolarHBondContact O-N 2.86Å
612K29.2Very low30.4Very low145 Ų145146.5 Ų146.563%0.6376%0.762SS**  trans-72.692.6167.8-179180-179.3-179.80109E610 T614E610-K612 HydrophobicContact CG-CB 3.75Å; E610-K612 PolarHBondContact O-N 3.47Å; E610-K612 VanDerWaalsContact OE1-CD 3.24Å; E610-K612 WeakPolarHBondContact OE1-CD 3.44Å; E610-K612 IonicContact OE1-NZ 3.96Å; K612-T614 VanDerWaalsContact C-N 3.31Å; K612-T614 HydrophobicContact CD-CG2 4.48Å; K612-T614 HydrophobicContact CG-CG2 4.19Å; K612-T614 PolarHBondContact O-N 3.03Å
613L29.1Very low30.6Very low168 Ų168145 Ų14588%0.8876%0.762SS**  trans-64.289.4173-77.7166.8000109.8M611 E615M611-L613 PolarHBondContact O-N 2.86Å; L613-E615 PolarHBondContact O-N 3.03Å
614T27.9Very low30.6Very low96 Ų96143.9 Ų143.959%0.58976%0.759SS**  trans-71.7111.5176.147.30000110K612 S616K612-T614 VanDerWaalsContact C-N 3.31Å; K612-T614 HydrophobicContact CD-CG2 4.48Å; K612-T614 HydrophobicContact CG-CG2 4.19Å; K612-T614 PolarHBondContact O-N 3.03Å; T614-S616 PolarHBondContact O-N 3.48Å
615E30.7Very low30.9Very low204 Ų204147.3 Ų147.395%0.95376%0.764SS**SBendtrans-6661.7177.1-168.5179.9171.300112.1L613L613-E615 PolarHBondContact O-N 3.03Å
616S28Very low30.9Very low87 Ų87147.3 Ų147.361%0.60877%0.768SS**  trans-159.544.6-170.5680000115.5T614T614-S616 PolarHBondContact O-N 3.48Å
617Q29.9Very low31.1Very low190 Ų190143.3 Ų143.389%0.88876%0.757SS**  trans-16362.6163.7-114.516128.200114P619Q617-P619 WeakPolarHBondContact O-CD 3.48Å
618Q26.7Very low31.2Very low147 Ų147143.8 Ų143.869%0.68776%0.759SS**  trans-76123.2155.2-78.6-172.6-44.400109Y620Q618-Y620 VanDerWaalsContact C-N 3.33Å; Q618-Y620 HydrophobicContact CB-CD2 4.01Å; Q618-Y620 HydrophobicContact CB-CE2 4.03Å; Q618-Y620 PolarHBondContact O-N 3.39Å
619P30.2Very low31.4Very low114 Ų114144.4 Ų144.474%0.7475%0.753SS**  trans-71.792.3165.129.9-31.8000108.6Q617 I621Q617-P619 WeakPolarHBondContact O-CD 3.48Å; P619-I621 VanDerWaalsContact C-N 3.34Å; P619-I621 PolarHBondContact O-N 2.89Å
620Y28.4Very low31.6Very low187 Ų187142.1 Ų142.173%0.73375%0.746SS**  trans-63.894.5168.5-89.5-101.3000109.1Q618 S622Q618-Y620 VanDerWaalsContact C-N 3.33Å; Q618-Y620 HydrophobicContact CB-CD2 4.01Å; Q618-Y620 HydrophobicContact CB-CE2 4.03Å; Q618-Y620 PolarHBondContact O-N 3.39Å; Y620-S622 PolarHBondContact O-N 2.94Å
621I37.5Very low31.9Very low130 Ų130141.8 Ų141.867%0.66775%0.749SS**  trans-74.184.2165.8-59.8174.3000106.8P619P619-I621 VanDerWaalsContact C-N 3.34Å; P619-I621 PolarHBondContact O-N 2.89Å
622S28.9Very low32Very low75 Ų75139.9 Ų139.952%0.52474%0.743SS.*  trans-59.4125.4177.2-63.50000110.3Y620 S624Y620-S622 PolarHBondContact O-N 2.94Å; S622-S624 PolarHBondContact O-N 3.26Å
623P33.4Very low32.9Very low144 Ų144137.5 Ų137.594%0.93574%0.744SS**  trans-75.771.817731.9-35.3000110.5
624S30.4Very low34.1Very low89 Ų89135 Ų13562%0.62273%0.732SS**  trans-102.6143.6-179.3-66.20000110.9S622S622-S624 PolarHBondContact O-N 3.26Å
625I36.2Very low35.2Very low156 Ų156134.7 Ų134.780%0.873%0.727SS**  trans71.864.7173.8-42.1166.2000114.7
626I33.2Very low36.3Very low168 Ų168130.7 Ų130.786%0.86271%0.712SS**  trans-94.5101.3131.6-62.9175.2000106.3
627N35.6Very low37.9Very low135 Ų135132.1 Ų132.172%0.72271%0.713SS**  trans-141.187.7169.5-166.321000109.4N629N627-N629 PolarHBondContact O-N 3.43Å
628N33.7Very low39.7Very low141 Ų141127.4 Ų127.475%0.75469%0.693SS**  trans-58.8117.4172.5-82-21000109.8
629N33.2Very low41.9Very low140 Ų140124.6 Ų124.675%0.74968%0.683SS**  trans-172.6149.6141.4-93.8-41000111.2N627N627-N629 PolarHBondContact O-N 3.43Å
630N36.4Very low44.3Very low136 Ų136123.5 Ų123.573%0.72767%0.674SS**  trans72.795.2168.1-49.3-35.5000118
631N35.4Very low46.7Very low145 Ų145119.3 Ų119.378%0.77567%0.665SS**  33.5101.7119-48.3-17.2000118.1
632N38.7Very low48.9Very low141 Ų141117.9 Ų117.975%0.75466%0.657SS**  -169.5166.1124.9-90-26.4000110D634N632-D634 PolarHBondContact O-N 2.92Å
633S47.3Very low51.5Low95 Ų95120.1 Ų120.166%0.66466%0.663SS**SBendtrans-81.5-7.5-167.742.60000116.1
634D54.6Low54Low116 Ų116119.2 Ų119.262%0.6264%0.644SS**  trans-107.7-11.6-151.6-55.5-13.4000113.9N632 N636N632-D634 PolarHBondContact O-N 2.92Å; D634-N636 PolarHBondContact O-N 3.25Å
635D50.6Low56.7Low88 Ų88121.1 Ų121.147%0.47164%0.643SS.*THydrogen-bonded Turntrans-72.8-5.8-174.6-76.7-51.6000115.6N637 N638 N639D635-N637 VanDerWaalsContact C-N 3.28Å; D635-N637 PolarHBondContact O-N 3.06Å; D635-N638 PolarHBondContact O-N 3.33Å; D635-N638 PolarHBondContact OD1-ND2 3.4Å; D635-N638 VanDerWaalsContact OD1-ND2 3.11Å; D635-N639 PolarHBondContact O-N 3.08Å; D635-N639 PolarHBondContact O-ND2 3.12Å
636N53.5Low59.2Low120 Ų120117.5 Ų117.564%0.64262%0.622SS**Hα-helixtrans-62.3-34.8179.7-74.8-40.6000112.5D634 V640D634-N636 PolarHBondContact O-N 3.25Å; N636-V640 WeakPolarHBondContact O-CG2 3.29Å; N636-V640 PolarHBondContact O-N 3.2Å
637N61.2Low61.7Low118 Ų118113.3 Ų113.363%0.63161%0.607SS**Hα-helixtrans-69.2-45.2177.7-66.6-22.1000111.4D635 N639 V640 D641D635-N637 VanDerWaalsContact C-N 3.28Å; D635-N637 PolarHBondContact O-N 3.06Å; N637-N639 VanDerWaalsContact C-N 3.3Å; N637-N639 PolarHBondContact O-N 3.24Å; N637-V640 PolarHBondContact O-N 3.37Å; N637-V640 VanDerWaalsContact O-N 3.1Å; N637-D641 PolarHBondContact O-N 3.44Å
638N69.2Low64.3Low90 Ų90111.4 Ų111.448%0.48160%0.597SS.*Hα-helixtrans-56.8-43.9178.4-63.6-30.9000111.5D635 D641 I642D635-N638 PolarHBondContact O-N 3.33Å; D635-N638 PolarHBondContact OD1-ND2 3.4Å; D635-N638 VanDerWaalsContact OD1-ND2 3.11Å; N638-D641 PolarHBondContact O-N 3.3Å; N638-I642 WeakPolarHBondContact O-CD1 3.24Å; N638-I642 WeakPolarHBondContact O-CG1 3.47Å; N638-I642 PolarHBondContact O-N 3.12Å
639N73.5Confident67Low88 Ų88106.8 Ų106.847%0.47158%0.576SS.*Hα-helixtrans-67.2-36.7177.5-73.8-57000112.9D635 N637 L643D635-N639 PolarHBondContact O-N 3.08Å; D635-N639 PolarHBondContact O-ND2 3.12Å; N637-N639 VanDerWaalsContact C-N 3.3Å; N637-N639 PolarHBondContact O-N 3.24Å; N639-L643 WeakPolarHBondContact O-CB 3.43Å; N639-L643 VanDerWaalsContact O-CG 3.27Å; N639-L643 WeakPolarHBondContact O-CG 3.35Å; N639-L643 PolarHBondContact O-N 3.23Å
640V79.2Confident69.7Low91 Ų91104.6 Ų104.655%0.55256%0.563SS**Hα-helixtrans-66.2-43.1175.2168.60000111.4N636 N637 L643 K644N636-V640 WeakPolarHBondContact O-CG2 3.29Å; N636-V640 PolarHBondContact O-N 3.2Å; N637-V640 PolarHBondContact O-N 3.37Å; N637-V640 VanDerWaalsContact O-N 3.1Å; V640-L643 PolarHBondContact O-N 2.9Å; V640-K644 WeakPolarHBondContact O-CB 3.35Å; V640-K644 PolarHBondContact O-N 2.94Å
641D79.6Confident72.3Confident100 Ų100101.6 Ų101.654%0.53555%0.553SS.*Hα-helixtrans-67-37.1177.8-75.7-37.4000112.3N637 N638 K644 H645N637-D641 PolarHBondContact O-N 3.44Å; N638-D641 PolarHBondContact O-N 3.3Å; D641-K644 PolarHBondContact O-N 3.25Å; D641-H645 PolarHBondContact O-N 3.43Å
642I84.3Confident75Confident100 Ų100100.5 Ų100.551%0.51354%0.543SS..Hα-helixtrans-62.9-49172.2-69.3165.6000110.8N638 K644 H645 Q646N638-I642 WeakPolarHBondContact O-CD1 3.24Å; N638-I642 WeakPolarHBondContact O-CG1 3.47Å; N638-I642 PolarHBondContact O-N 3.12Å; I642-K644 VanDerWaalsContact C-N 3.29Å; I642-K644 PolarHBondContact O-N 2.99Å; I642-H645 PolarHBondContact O-N 3.4Å; I642-Q646 WeakPolarHBondContact O-CG 3.39Å; I642-Q646 PolarHBondContact O-N 3.43Å
643L83.2Confident77.5Confident122 Ų12298.1 Ų98.164%0.63953%0.529SS*.Hα-helixtrans-62.2-36.9178.5-74.2169.7000112.1N639 V640 Q646 C647N639-L643 WeakPolarHBondContact O-CB 3.43Å; N639-L643 VanDerWaalsContact O-CG 3.27Å; N639-L643 WeakPolarHBondContact O-CG 3.35Å; N639-L643 PolarHBondContact O-N 3.23Å; V640-L643 PolarHBondContact O-N 2.9Å; L643-Q646 PolarHBondContact O-N 2.82Å; L643-C647 WeakPolarHBondContact O-CB 3.28Å; L643-C647 PolarHBondContact O-N 3.35Å
644K86.2Confident79.4Confident125 Ų12597.7 Ų97.754%0.54352%0.52SS..Hα-helixtrans-63.8-49.1174.2-175.5-178.4174.9-170.90111.7V640 D641 I642 Q646 C647 D648V640-K644 WeakPolarHBondContact O-CB 3.35Å; V640-K644 PolarHBondContact O-N 2.94Å; D641-K644 PolarHBondContact O-N 3.25Å; I642-K644 VanDerWaalsContact C-N 3.29Å; I642-K644 PolarHBondContact O-N 2.99Å; K644-Q646 VanDerWaalsContact C-N 3.28Å; K644-Q646 PolarHBondContact O-N 2.94Å; K644-C647 WeakPolarHBondContact O-CA 3.32Å; K644-C647 WeakPolarHBondContact O-CB 3.41Å; K644-C647 PolarHBondContact O-N 2.87Å; K644-D648 PolarHBondContact O-N 3.28Å
645H86Confident81.1Confident129 Ų12998.3 Ų98.360%0.59752%0.519SS*.Hα-helixtrans-61-35.6176.5-174.3-63.9000112.4D641 I642 S649D641-H645 PolarHBondContact O-N 3.43Å; I642-H645 PolarHBondContact O-N 3.4Å; H645-S649 WeakPolarHBondContact O-CB 3.27Å; H645-S649 PolarHBondContact O-N 3.48Å; H645-S649 VanDerWaalsContact O-N 3.09Å
646Q87.9Confident83Confident79 Ų7999.6 Ų99.637%0.36952%0.522SS..Hα-helixtrans-64.8-43.4172-68.6-65.2-42.900111.4I642 L643 K644 S649 I650I642-Q646 WeakPolarHBondContact O-CG 3.39Å; I642-Q646 PolarHBondContact O-N 3.43Å; L643-Q646 PolarHBondContact O-N 2.82Å; K644-Q646 VanDerWaalsContact C-N 3.28Å; K644-Q646 PolarHBondContact O-N 2.94Å; Q646-S649 PolarHBondContact O-N 3.25Å; Q646-I650 WeakPolarHBondContact O-CB 3.48Å; Q646-I650 WeakPolarHBondContact O-CD1 3.44Å; Q646-I650 VanDerWaalsContact O-CG1 3.28Å; Q646-I650 WeakPolarHBondContact O-CG1 3.33Å; Q646-I650 PolarHBondContact O-N 2.92Å
647C86.6Confident84.9Confident80 Ų8099 Ų9954%0.54152%0.518SS..Hα-helixtrans-62.9-45.8177.3-168.70000112.4L643 K644 S649 I650 S651L643-C647 WeakPolarHBondContact O-CB 3.28Å; L643-C647 PolarHBondContact O-N 3.35Å; K644-C647 WeakPolarHBondContact O-CA 3.32Å; K644-C647 WeakPolarHBondContact O-CB 3.41Å; K644-C647 PolarHBondContact O-N 2.87Å; C647-S649 VanDerWaalsContact C-N 3.33Å; C647-S649 PolarHBondContact O-N 3.37Å; C647-I650 PolarHBondContact O-N 3.48Å; C647-S651 WeakPolarHBondContact O-CB 3.46Å; C647-S651 PolarHBondContact O-N 2.73Å
648D90.5Very high86.3Confident96 Ų9697.1 Ų97.151%0.51351%0.511SS..Hα-helixtrans-61.4-41.9177.7-67.3-28.2000111K644 S651 Q652K644-D648 PolarHBondContact O-N 3.28Å; D648-S651 WeakPolarHBondContact O-CB 3.28Å; D648-S651 PolarHBondContact O-N 3.05Å; D648-Q652 PolarHBondContact O-N 3.03Å
649S90.4Very high87.4Confident44 Ų4496.3 Ų96.331%0.30851%0.509SS..Hα-helixtrans-67-41.7177.1-1710000113H645 Q646 C647 S651 Q652 I653H645-S649 WeakPolarHBondContact O-CB 3.27Å; H645-S649 PolarHBondContact O-N 3.48Å; H645-S649 VanDerWaalsContact O-N 3.09Å; Q646-S649 PolarHBondContact O-N 3.25Å; C647-S649 VanDerWaalsContact C-N 3.33Å; C647-S649 PolarHBondContact O-N 3.37Å; S649-S651 VanDerWaalsContact C-N 3.32Å; S649-S651 PolarHBondContact O-N 3.47Å; S649-Q652 PolarHBondContact O-N 3.31Å; S649-I653 WeakPolarHBondContact O-CG1 3.46Å; S649-I653 PolarHBondContact O-N 3.22Å
650I89.6Confident88.3Confident94 Ų9495.5 Ų95.548%0.48251%0.508SS..Hα-helixtrans-62.9-39.6173.8-70.8164000110.9Q646 C647 I653 N654Q646-I650 WeakPolarHBondContact O-CB 3.48Å; Q646-I650 WeakPolarHBondContact O-CD1 3.44Å; Q646-I650 VanDerWaalsContact O-CG1 3.28Å; Q646-I650 WeakPolarHBondContact O-CG1 3.33Å; Q646-I650 PolarHBondContact O-N 2.92Å; C647-I650 PolarHBondContact O-N 3.48Å; I650-I653 PolarHBondContact O-N 2.91Å; I650-N654 PolarHBondContact O-N 2.94Å; I650-N654 PolarHBondContact O-ND2 3.47Å
651S90.3Very high89Confident72 Ų7295.8 Ų95.850%0.50351%0.506SS..Hα-helixtrans-59.8-46.6175.4-165.70000111.6C647 D648 S649 I653 N654 E655C647-S651 WeakPolarHBondContact O-CB 3.46Å; C647-S651 PolarHBondContact O-N 2.73Å; D648-S651 WeakPolarHBondContact O-CB 3.28Å; D648-S651 PolarHBondContact O-N 3.05Å; S649-S651 VanDerWaalsContact C-N 3.32Å; S649-S651 PolarHBondContact O-N 3.47Å; S651-I653 PolarHBondContact O-N 3.1Å; S651-N654 PolarHBondContact O-N 2.91Å; S651-E655 PolarHBondContact O-N 3.41Å
652Q91.8Very high89.6Confident123 Ų12394.7 Ų94.758%0.57550%0.499SS*.Hα-helixtrans-61.8-40.3177.1-168.3-179.827.800112.5D648 S649 E655 Q656D648-Q652 PolarHBondContact O-N 3.03Å; S649-Q652 PolarHBondContact O-N 3.31Å; Q652-E655 PolarHBondContact O-N 3.02Å; Q652-Q656 WeakPolarHBondContact O-CG 3.41Å; Q652-Q656 PolarHBondContact O-N 3.07Å
653I92.3Very high90Very high90 Ų9096 Ų9646%0.46250%0.501SS..Hα-helixtrans-64.3-42.3176.1-68.9165.5000110.8S649 I650 S651 E655 Q656 L657S649-I653 WeakPolarHBondContact O-CG1 3.46Å; S649-I653 PolarHBondContact O-N 3.22Å; I650-I653 PolarHBondContact O-N 2.91Å; S651-I653 PolarHBondContact O-N 3.1Å; I653-E655 PolarHBondContact O-N 3.31Å; I653-Q656 PolarHBondContact O-N 2.99Å; I653-L657 HydrophobicContact CG2-CD1 3.98Å; I653-L657 HydrophobicContact CG2-CG 4.46Å; I653-L657 WeakPolarHBondContact O-CB 3.5Å; I653-L657 WeakPolarHBondContact O-CG 3.24Å; I653-L657 PolarHBondContact O-N 3.23Å
654N86Confident90.4Very high87 Ų8795.5 Ų95.547%0.46550%0.498SS..Hα-helixtrans-64.8-36.3177.5-72.8-27.7000112.7I650 S651 T658I650-N654 PolarHBondContact O-N 2.94Å; I650-N654 PolarHBondContact O-ND2 3.47Å; S651-N654 PolarHBondContact O-N 2.91Å; N654-T658 VanDerWaalsContact O-CB 3.28Å; N654-T658 WeakPolarHBondContact O-CB 3.42Å; N654-T658 PolarHBondContact O-N 3.35Å; N654-T658 PolarHBondContact O-OG1 3.32Å
655E91.4Very high90.6Very high129 Ų12994 Ų9460%0.60349%0.493SS*.Hα-helixtrans-66.9-42.5173.5-171.4175.5-163.400112.1S651 Q652 I653 T658 T659S651-E655 PolarHBondContact O-N 3.41Å; Q652-E655 PolarHBondContact O-N 3.02Å; I653-E655 PolarHBondContact O-N 3.31Å; E655-T658 PolarHBondContact O-N 2.74Å; E655-T659 WeakPolarHBondContact O-CG2 3.43Å; E655-T659 PolarHBondContact O-N 3.45Å; E655-T659 PolarHBondContact O-OG1 3.17Å
656Q91Very high90.9Very high115 Ų11594.6 Ų94.654%0.53749%0.494SS..Hα-helixtrans-63.9-40.6175.1-71.4-67.4-28.300112.3Q652 I653 T659 T660Q652-Q656 WeakPolarHBondContact O-CG 3.41Å; Q652-Q656 PolarHBondContact O-N 3.07Å; I653-Q656 PolarHBondContact O-N 2.99Å; Q656-T659 PolarHBondContact O-OG1 3.43Å; Q656-T659 VanDerWaalsContact O-OG1 3.1Å; Q656-T660 VanDerWaalsContact O-CB 3.27Å; Q656-T660 WeakPolarHBondContact O-CB 3.28Å; Q656-T660 PolarHBondContact O-N 3.34Å; Q656-T660 PolarHBondContact O-OG1 3.06Å
657L93.3Very high91.1Very high106 Ų10694.3 Ų94.356%0.55550%0.495SS*.Hα-helixtrans-65.4-41.2173.7-74.2170.2000111.7I653 T660 L661I653-L657 HydrophobicContact CG2-CD1 3.98Å; I653-L657 HydrophobicContact CG2-CG 4.46Å; I653-L657 WeakPolarHBondContact O-CB 3.5Å; I653-L657 WeakPolarHBondContact O-CG 3.24Å; I653-L657 PolarHBondContact O-N 3.23Å; L657-T660 PolarHBondContact O-N 3.48Å; L657-L661 VanDerWaalsContact O-CB 3.24Å; L657-L661 WeakPolarHBondContact O-CB 3.49Å; L657-L661 PolarHBondContact O-N 3.45Å
658T90.9Very high91.4Very high80 Ų8099 Ų9949%0.49150%0.501SS..Hα-helixtrans-67.4-45.3-179.2-62.10000111.8N654 E655 L661 I662N654-T658 VanDerWaalsContact O-CB 3.28Å; N654-T658 WeakPolarHBondContact O-CB 3.42Å; N654-T658 PolarHBondContact O-N 3.35Å; N654-T658 PolarHBondContact O-OG1 3.32Å; E655-T658 PolarHBondContact O-N 2.74Å; T658-L661 PolarHBondContact O-N 2.94Å; T658-I662 HydrophobicContact CG2-CD1 3.98Å; T658-I662 WeakPolarHBondContact O-CB 3.46Å; T658-I662 VanDerWaalsContact O-CG1 3.28Å; T658-I662 WeakPolarHBondContact O-CG1 3.27Å; T658-I662 PolarHBondContact O-N 3.06Å
659T92Very high91.5Very high72 Ų7298.8 Ų98.844%0.44250%0.5SS..Hα-helixtrans-65-40.3175.750.30000112.1E655 Q656 I662 K663E655-T659 WeakPolarHBondContact O-CG2 3.43Å; E655-T659 PolarHBondContact O-N 3.45Å; E655-T659 PolarHBondContact O-OG1 3.17Å; Q656-T659 PolarHBondContact O-OG1 3.43Å; Q656-T659 VanDerWaalsContact O-OG1 3.1Å; T659-I662 PolarHBondContact O-N 2.95Å; T659-K663 PolarHBondContact O-N 2.9Å
660T92.9Very high91.6Very high71 Ų7199.5 Ų99.544%0.43651%0.508SS..Hα-helixtrans-62.6-43.8173.3-59.20000112.1Q656 L657 K663 L664Q656-T660 VanDerWaalsContact O-CB 3.27Å; Q656-T660 WeakPolarHBondContact O-CB 3.28Å; Q656-T660 PolarHBondContact O-N 3.34Å; Q656-T660 PolarHBondContact O-OG1 3.06Å; L657-T660 PolarHBondContact O-N 3.48Å; T660-K663 WeakPolarHBondContact O-CB 3.46Å; T660-K663 PolarHBondContact O-N 2.84Å; T660-L664 HydrophobicContact CG2-CD1 4.16Å; T660-L664 WeakPolarHBondContact O-CG 3.38Å; T660-L664 PolarHBondContact O-N 3.33Å
661L92.3Very high91.6Very high97 Ų97100.1 Ų100.151%0.50851%0.512SS..Hα-helixtrans-67.1-39.7179.2-174.9146.6000111.9L657 T658 K663 L664 Q665L657-L661 VanDerWaalsContact O-CB 3.24Å; L657-L661 WeakPolarHBondContact O-CB 3.49Å; L657-L661 PolarHBondContact O-N 3.45Å; T658-L661 PolarHBondContact O-N 2.94Å; L661-K663 VanDerWaalsContact C-N 3.34Å; L661-L664 PolarHBondContact O-N 3.06Å; L661-Q665 HydrophobicContact CD2-CG 4.29Å; L661-Q665 WeakPolarHBondContact O-CB 3.48Å; L661-Q665 WeakPolarHBondContact O-CG 3.41Å; L661-Q665 PolarHBondContact O-N 2.9Å
662I92.3Very high91.5Very high78 Ų78101.2 Ų101.240%0.451%0.507SS..Hα-helixtrans-62.1-41.2172.3-70.4165.8000110.9T658 T659 Q665 K666T658-I662 HydrophobicContact CG2-CD1 3.98Å; T658-I662 WeakPolarHBondContact O-CB 3.46Å; T658-I662 VanDerWaalsContact O-CG1 3.28Å; T658-I662 WeakPolarHBondContact O-CG1 3.27Å; T658-I662 PolarHBondContact O-N 3.06Å; T659-I662 PolarHBondContact O-N 2.95Å; I662-Q665 PolarHBondContact O-N 2.97Å; I662-K666 HydrophobicContact CG2-CD 4.45Å; I662-K666 WeakPolarHBondContact O-CG 3.28Å; I662-K666 PolarHBondContact O-N 3.44Å
663K92.5Very high91.4Very high127 Ų12799 Ų9955%0.55250%0.499SS*.Hα-helixtrans-60.9-53.3175.1-173.2-173.1173.3-175.40111T659 T660 L661 Q665 K666 D667T659-K663 PolarHBondContact O-N 2.9Å; T660-K663 WeakPolarHBondContact O-CB 3.46Å; T660-K663 PolarHBondContact O-N 2.84Å; L661-K663 VanDerWaalsContact C-N 3.34Å; K663-Q665 VanDerWaalsContact C-N 3.26Å; K663-Q665 PolarHBondContact O-N 2.79Å; K663-K666 WeakPolarHBondContact O-CB 3.35Å; K663-K666 PolarHBondContact O-N 2.89Å; K663-D667 VanDerWaalsContact O-CG 3.28Å; K663-D667 PolarHBondContact O-N 3.42Å
664L91.3Very high91.2Very high111 Ų111100.8 Ų100.858%0.58150%0.503SS*.Hα-helixtrans-60.3-33.5179-69.5172000112.8T660 L661 R668T660-L664 HydrophobicContact CG2-CD1 4.16Å; T660-L664 WeakPolarHBondContact O-CG 3.38Å; T660-L664 PolarHBondContact O-N 3.33Å; L661-L664 PolarHBondContact O-N 3.06Å; L664-R668 VanDerWaalsContact O-CB 3.28Å; L664-R668 WeakPolarHBondContact O-CB 3.5Å; L664-R668 PolarHBondContact O-N 3.36Å
665Q91.8Very high91.2Very high95 Ų95101.7 Ų101.744%0.44451%0.508SS..Hα-helixtrans-67.2-41.9172.6-77.1-177.3-6.100112.6L661 I662 K663 R668 I669L661-Q665 HydrophobicContact CD2-CG 4.29Å; L661-Q665 WeakPolarHBondContact O-CB 3.48Å; L661-Q665 WeakPolarHBondContact O-CG 3.41Å; L661-Q665 PolarHBondContact O-N 2.9Å; I662-Q665 PolarHBondContact O-N 2.97Å; K663-Q665 VanDerWaalsContact C-N 3.26Å; K663-Q665 PolarHBondContact O-N 2.79Å; Q665-R668 PolarHBondContact O-N 2.87Å; Q665-I669 WeakPolarHBondContact O-CD1 3.44Å; Q665-I669 VanDerWaalsContact O-CG1 3.27Å; Q665-I669 WeakPolarHBondContact O-CG1 3.38Å; Q665-I669 PolarHBondContact O-N 2.98Å
666K91.2Very high90.7Very high140 Ų140101.4 Ų101.461%0.60951%0.506SS*.Hα-helixtrans-62.1-47.3173.4-72.4176.4179.2-176.20111.1I662 K663 R668 I669 A670I662-K666 HydrophobicContact CG2-CD 4.45Å; I662-K666 WeakPolarHBondContact O-CG 3.28Å; I662-K666 PolarHBondContact O-N 3.44Å; K663-K666 WeakPolarHBondContact O-CB 3.35Å; K663-K666 PolarHBondContact O-N 2.89Å; K666-R668 VanDerWaalsContact C-N 3.34Å; K666-R668 PolarHBondContact O-N 3.39Å; K666-I669 PolarHBondContact O-N 3.05Å; K666-I669 VanDerWaalsContact O-N 3.14Å; K666-A670 WeakPolarHBondContact O-CB 3.49Å; K666-A670 PolarHBondContact O-N 2.96Å
667D92.4Very high90.2Very high74 Ų74105.3 Ų105.340%0.39652%0.516SS..Hα-helixtrans-61.6-41.3179.3-62.2-18.9000111.2K663 I669 A670 L671K663-D667 VanDerWaalsContact O-CG 3.28Å; K663-D667 PolarHBondContact O-N 3.42Å; D667-I669 PolarHBondContact O-N 3.4Å; D667-A670 PolarHBondContact O-N 3.33Å; D667-L671 WeakPolarHBondContact O-CB 3.38Å; D667-L671 WeakPolarHBondContact O-CG 3.46Å; D667-L671 PolarHBondContact O-N 3.09Å
668R93.6Very high89.3Confident177 Ų177104.6 Ų104.667%0.66851%0.512SS*.Hα-helixtrans-61.7-41173.4-172.5-173.972.6154.42.7112.7L664 Q665 K666 K672L664-R668 VanDerWaalsContact O-CB 3.28Å; L664-R668 WeakPolarHBondContact O-CB 3.5Å; L664-R668 PolarHBondContact O-N 3.36Å; Q665-R668 PolarHBondContact O-N 2.87Å; K666-R668 VanDerWaalsContact C-N 3.34Å; K666-R668 PolarHBondContact O-N 3.39Å; R668-K672 PolarHBondContact O-N 2.93Å
669I93.1Very high88Confident93 Ų93106.9 Ų106.948%0.47752%0.519SS..Hα-helixtrans-69.4-42.8178.2-69.9164.6000110.3Q665 K666 D667 L671 K672 I673Q665-I669 WeakPolarHBondContact O-CD1 3.44Å; Q665-I669 VanDerWaalsContact O-CG1 3.27Å; Q665-I669 WeakPolarHBondContact O-CG1 3.38Å; Q665-I669 PolarHBondContact O-N 2.98Å; K666-I669 PolarHBondContact O-N 3.05Å; K666-I669 VanDerWaalsContact O-N 3.14Å; D667-I669 PolarHBondContact O-N 3.4Å; I669-L671 PolarHBondContact O-N 3.28Å; I669-K672 PolarHBondContact O-N 2.8Å; I669-I673 HydrophobicContact CG2-CD1 3.8Å; I669-I673 WeakPolarHBondContact O-CG1 3.49Å; I669-I673 PolarHBondContact O-N 3.46Å
670A91.4Very high86.3Confident58 Ų58107.9 Ų107.948%0.47953%0.526SS..Hα-helixtrans-60-44.9175.400000111.7K666 D667 I673 F674K666-A670 WeakPolarHBondContact O-CB 3.49Å; K666-A670 PolarHBondContact O-N 2.96Å; D667-A670 PolarHBondContact O-N 3.33Å; A670-I673 PolarHBondContact O-N 2.95Å; A670-F674 VanDerWaalsContact O-CB 3.32Å; A670-F674 WeakPolarHBondContact O-CB 3.24Å; A670-F674 PolarHBondContact O-N 2.97Å
671L90.3Very high84.2Confident107 Ų107109.9 Ų109.956%0.5653%0.534SS*.Hα-helixtrans-63.1-40174.6-76.1171.5000112.8D667 I669 F674 L675D667-L671 WeakPolarHBondContact O-CB 3.38Å; D667-L671 WeakPolarHBondContact O-CG 3.46Å; D667-L671 PolarHBondContact O-N 3.09Å; I669-L671 PolarHBondContact O-N 3.28Å; L671-F674 PolarHBondContact O-N 3.01Å; L671-L675 WeakPolarHBondContact O-CG 3.36Å; L671-L675 PolarHBondContact O-N 3.18Å
672K88.4Confident82.2Confident96 Ų96113.6 Ų113.642%0.41755%0.549SS..Hα-helixtrans-60.5-50174-173.7-174.5170-171.30110.8S136 R668 I669 F674 L675 E676S136-K672 PolarHBondContact OG-NZ 2.91Å; R668-K672 PolarHBondContact O-N 2.93Å; I669-K672 PolarHBondContact O-N 2.8Å; K672-F674 VanDerWaalsContact C-N 3.29Å; K672-F674 PolarHBondContact O-N 3.1Å; K672-L675 PolarHBondContact O-N 3.19Å; K672-E676 WeakPolarHBondContact CE-OE2 3.42Å; K672-E676 VanDerWaalsContact O-CB 3.24Å; K672-E676 WeakPolarHBondContact O-CB 3.27Å; K672-E676 PolarHBondContact O-N 2.97Å
673I89.3Confident80.1Confident77 Ų77116 Ų11640%0.39557%0.568SS.*Hα-helixtrans-62.4-36.7179.6-66.1166.1000111.4I669 A670 R677I669-I673 HydrophobicContact CG2-CD1 3.8Å; I669-I673 WeakPolarHBondContact O-CG1 3.49Å; I669-I673 PolarHBondContact O-N 3.46Å; A670-I673 PolarHBondContact O-N 2.95Å; I673-R677 WeakPolarHBondContact O-CB 3.35Å; I673-R677 VanDerWaalsContact O-CG 3.29Å; I673-R677 WeakPolarHBondContact O-CG 3.33Å; I673-R677 PolarHBondContact O-N 3.03Å
674F87.6Confident77.7Confident126 Ų126119.7 Ų119.755%0.55359%0.591SS**Hα-helixtrans-65.9-48176.8-177.2-107.3000111.8A670 L671 K672 R677 L678A670-F674 VanDerWaalsContact O-CB 3.32Å; A670-F674 WeakPolarHBondContact O-CB 3.24Å; A670-F674 PolarHBondContact O-N 2.97Å; L671-F674 PolarHBondContact O-N 3.01Å; K672-F674 VanDerWaalsContact C-N 3.29Å; K672-F674 PolarHBondContact O-N 3.1Å; F674-R677 PolarHBondContact O-N 3.19Å; F674-L678 HydrophobicContact CD1-CD1 3.91Å; F674-L678 HydrophobicContact CE1-CD1 3.45Å; F674-L678 VanDerWaalsContact CE1-CD1 3.45Å; F674-L678 HydrophobicContact CE2-CD1 4.32Å; F674-L678 HydrophobicContact CZ-CD1 3.69Å; F674-L678 WeakPolarHBondContact O-CG 3.33Å; F674-L678 PolarHBondContact O-N 3.18Å; F674-L678 VanDerWaalsContact O-N 3.11Å
675L85.6Confident77Confident107 Ų107120.2 Ų120.256%0.5659%0.592SS**Hα-helixtrans-62.7-46175.2-69.4169.8000111.5L671 K672 R677 L678 M679L671-L675 WeakPolarHBondContact O-CG 3.36Å; L671-L675 PolarHBondContact O-N 3.18Å; K672-L675 PolarHBondContact O-N 3.19Å; L675-R677 PolarHBondContact O-N 3.32Å; L675-L678 PolarHBondContact O-N 3.46Å; L675-M679 VanDerWaalsContact O-CG 3.3Å; L675-M679 WeakPolarHBondContact O-CG 3.45Å; L675-M679 PolarHBondContact O-N 3.11Å
676E80.6Confident76.3Confident122 Ų122121.5 Ų121.557%0.5760%0.599SS**Hα-helixtrans-59.6-30.1178.2-165.2171.8153.600112.4K672K672-E676 WeakPolarHBondContact CE-OE2 3.42Å; K672-E676 VanDerWaalsContact O-CB 3.24Å; K672-E676 WeakPolarHBondContact O-CB 3.27Å; K672-E676 PolarHBondContact O-N 2.97Å
677R81.4Confident75.4Confident198 Ų198120.4 Ų120.475%0.74760%0.599SS**Hα-helixtrans-83.3-16.5172.7-74.8178.5174.6-167-1.3115.2I673 F674 L675 P680I673-R677 WeakPolarHBondContact O-CB 3.35Å; I673-R677 VanDerWaalsContact O-CG 3.29Å; I673-R677 WeakPolarHBondContact O-CG 3.33Å; I673-R677 PolarHBondContact O-N 3.03Å; F674-R677 PolarHBondContact O-N 3.19Å; L675-R677 PolarHBondContact O-N 3.32Å; R677-P680 WeakPolarHBondContact O-CD 3.22Å
678L74.1Confident74.4Confident90 Ų90123.2 Ų123.247%0.47161%0.611SS.*Hα-helixtrans-92.9-19.3175-72.3177.8000113.4F674 L675F674-L678 HydrophobicContact CD1-CD1 3.91Å; F674-L678 HydrophobicContact CE1-CD1 3.45Å; F674-L678 VanDerWaalsContact CE1-CD1 3.45Å; F674-L678 HydrophobicContact CE2-CD1 4.32Å; F674-L678 HydrophobicContact CZ-CD1 3.69Å; F674-L678 WeakPolarHBondContact O-CG 3.33Å; F674-L678 PolarHBondContact O-N 3.18Å; F674-L678 VanDerWaalsContact O-N 3.11Å; L675-L678 PolarHBondContact O-N 3.46Å
679M63.6Low73.2Confident129 Ų129119.8 Ų119.864%0.63561%0.607SS**  trans-66.9-21.7179.3-74.6-68.1-6100117.6L675 L681L675-M679 VanDerWaalsContact O-CG 3.3Å; L675-M679 WeakPolarHBondContact O-CG 3.45Å; L675-M679 PolarHBondContact O-N 3.11Å; M679-L681 PolarHBondContact O-N 3.33Å
680P57.3Low71.9Confident92 Ų92121.6 Ų121.660%0.59762%0.616SS**THydrogen-bonded Turntrans-82.859.6179.534.8-34.7000112R677R677-P680 WeakPolarHBondContact O-CD 3.22Å
681L47.1Very low70.5Confident113 Ų113126.1 Ų126.159%0.59263%0.626SS**THydrogen-bonded Turntrans-132.42.1-178.4-89.4171.7000115.3M679 T683 I684M679-L681 PolarHBondContact O-N 3.33Å; L681-T683 VanDerWaalsContact C-N 3.29Å; L681-T683 PolarHBondContact O-N 3.34Å; L681-I684 HydrophobicContact CD2-CD1 4.38Å
682E51.8Low69Low175 Ų175127.6 Ų127.682%0.81863%0.631SS**THydrogen-bonded Turntrans-92.921.4176.8-63.3-178.2130.300113
683T48.5Very low67.4Low130 Ų130130.3 Ų130.380%0.79865%0.649SS**THydrogen-bonded Turntrans-138.137.6178.564.70000113.3L681L681-T683 VanDerWaalsContact C-N 3.29Å; L681-T683 PolarHBondContact O-N 3.34Å
684I42Very low65.4Low204 Ų204135.1 Ų135.1100%1.04667%0.672SS**  trans-132.90169.5-58.1-177.4000108.4L681L681-I684 HydrophobicContact CD2-CD1 4.38Å

Retrieved 684 of 684 residues in 865.9 ms (Link to these results)