A0A087XA67_POEFO Loading...

Syntaphilin

AlphaFold DB , UniProt , Accession A0A087XA67, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 480 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
1M32.1Very low38.6Very low238 Ų238163.5 Ų163.5100%1.17286%0.858SS**  0167.60-64.180.695.300110
2R45.9Very low38.7Very low240 Ų240159.2 Ų159.291%0.90685%0.851SS**  trans-85.3175.6161.9-96.4-172.4-177.6-169.93109.7
3P53.4Low39.4Very low120 Ų120156.7 Ų156.778%0.77985%0.849SS**  cis-127.2174.210.141.1-26000116
4T42.8Very low39.2Very low137 Ų137153.9 Ų153.984%0.8484%0.84SS**  trans-105.5154.216846.30000111.2
5K41.8Very low39.3Very low197 Ų197156.8 Ų156.886%0.85784%0.841SS**  trans-144.4140164.7-104.5-175.2176.4-178.60109.2
6G34.6Very low38.7Very low74 Ų74151.8 Ų151.876%0.76384%0.838SS**  trans-157.7139.9173.100000109.5
7Y32.9Very low38.5Very low219 Ų219155.4 Ų155.486%0.85984%0.838SS**  trans-103.6149.7178.1-71.7-83.2000110.4
8T34.3Very low38.2Very low150 Ų150154.9 Ų154.992%0.9284%0.841SS**  trans-132.4155.8172.449.70000111.3
9S35.3Very low37.9Very low102 Ų102152.4 Ų152.471%0.71384%0.836SS**  trans-110.5143.1-168.1168.40000112.8
10T34.8Very low37.9Very low129 Ų129151.3 Ų151.379%0.79184%0.835SS**  trans-141.9129.3149.4410000107.2
11K36.5Very low37.6Very low193 Ų193153.6 Ų153.684%0.83984%0.836SS**  81114.952.6-73.8-171.6174-176.60113.8
12S40.3Very low37.6Very low111 Ų111146.7 Ų146.778%0.77681%0.811SS**  trans-106.7156.9170.648.40000111.9
13P47.8Very low37.9Very low127 Ų127141.3 Ų141.383%0.82581%0.807SS**  trans-119.5173.7165.739-28000113.4
14T36.8Very low36.9Very low118 Ų118141.7 Ų141.772%0.72480%0.803SS**  trans-146.4144.7-159.1-62.20000113.8
15K40.1Very low36.6Very low197 Ų197146 Ų14686%0.85780%0.804SS**  trans69.9142.8162.4-83.6170.7-179.4179.40120.4
16G29.3Very low36.1Very low76 Ų76148.4 Ų148.478%0.78481%0.807SS**  trans-174.8131.3160.200000110.3
17Y35.9Very low36Very low214 Ų214149 Ų14984%0.83980%0.8SS**  trans-127.1145.1-175.9-94.2-91.2000111.1
18T33.6Very low36Very low147 Ų147145.1 Ų145.190%0.90280%0.799SS**  trans-149.6167.6151.142.20000109.9
19S32.5Very low35.8Very low106 Ų106145.2 Ų145.274%0.74179%0.794SS**  trans-150.3172.7-166.3-172.80000113.7
20T38.6Very low35.7Very low131 Ų131145.7 Ų145.780%0.80480%0.797SS**  trans72.8146.2-178.577.20000114.2
21K30.9Very low36.4Very low200 Ų200145.1 Ų145.187%0.8780%0.796SS**  cis-161.6156.339.4-178.1177.8-179179.70111.9
22S31.8Very low36.1Very low93 Ų93141.9 Ų141.965%0.6580%0.798SS**  trans-111.2161.4173.4-169.80000111.7
23P52.2Low36Very low126 Ų126143.2 Ų143.282%0.81880%0.801SS**  -148.7-175.3110.640-22.7000116.5
24D33.2Very low35.8Very low129 Ų129143.2 Ų143.269%0.6980%0.802SS**  trans-83151.9-156.9-85.3-90.3000121.4
25R35.8Very low35.7Very low228 Ų228149.3 Ų149.386%0.8681%0.811SS**  trans22136.5134.4-55170.5-177.9-109.6-0.6121
26R30.6Very low35.5Very low246 Ų246145.2 Ų145.293%0.92881%0.807SS**  -145157.6126.9-143172-161.4-101.30.4111.9
27S32Very low35.7Very low88 Ų88153.4 Ų153.462%0.61582%0.815SS**  trans-122.1150.8-173.6171.30000112.2
28T33.2Very low35.8Very low137 Ų137154.1 Ų154.184%0.8482%0.816SS**  trans-147145.1155.543.50000109.9
29N31.4Very low36.3Very low151 Ų151152.6 Ų152.681%0.80781%0.809SS**  trans-97.1169.6-172.6-63.9-27.7000114
30S33Very low36.9Very low112 Ų112153.6 Ų153.678%0.78381%0.812SS**  trans-66.3-169.1175.1-28.90000114
31P49.8Very low36.7Very low117 Ų117152 Ų15276%0.7681%0.813SS**  cis-133.5179.8-13.939.9-23.2000114.5
32S30.1Very low37.3Very low126 Ų126146.9 Ų146.988%0.88181%0.808SS**  trans-165.3158.9155.2-87.30000113.6
33T38.6Very low37.9Very low138 Ų138147.8 Ų147.885%0.84781%0.811SS**  trans-100.4165.9-165400000114.8
34P43.5Very low37.1Very low128 Ų128147.1 Ų147.183%0.83181%0.81SS**  trans-87.9157-162.134.5-36.7000114.9
35R33.6Very low37.5Very low245 Ų245148.5 Ų148.593%0.92582%0.817SS**  trans-127.9117.7170.1-161.4174.1-170.2-175.24112.8
36S35.1Very low37.5Very low111 Ų111147.9 Ų147.978%0.77682%0.815SS**  trans-41134.4178.21770000115.7
37R34Very low37.5Very low249 Ų249141.2 Ų141.294%0.9480%0.798SS**  trans-137.5127.2150.1-94.4-173.5-175.4-145.5-1112.4
38R38.2Very low37.7Very low228 Ų228146 Ų14686%0.8681%0.81SS**PPolyproline II helixtrans-76.6145.4177.6-176.4-173.1-166.7175.24.5110.8
39P43.8Very low37.6Very low116 Ų116142.7 Ų142.775%0.75380%0.803SS**PPolyproline II helixtrans-75139.4173.831-34.4000111.5
40P45.1Very low37.9Very low126 Ų126142.9 Ų142.982%0.81880%0.804SS**PPolyproline II helixtrans-90.5142.6167.334.3-30.8000111.7
41A34.7Very low37.7Very low98 Ų98142.4 Ų142.481%0.8181%0.806SS**  trans-88.6175.5167.100000111.2
42A43.4Very low37.2Very low93 Ų93141.4 Ų141.477%0.76980%0.802SS**  trans-73.6143.3-171.300000115
43P45.2Very low37.6Very low112 Ų112142.6 Ų142.673%0.72780%0.804SS**  trans-81.4133.6149.833.7-29.1000109.1
44S34.9Very low37.6Very low112 Ų112141.3 Ų141.378%0.78380%0.8SS**  69.8114.753.582.20000113.4
45N40.9Very low37.4Very low157 Ų157141.3 Ų141.384%0.8480%0.803SS**  trans-81.6172.5-178.1-162.3-9.4000111.8
46R35.5Very low37.3Very low215 Ų215133.3 Ų133.381%0.81180%0.797SS**  trans84.2144.1-178.8-62.9-176176.3167.10.7115.8
47D32.3Very low37.6Very low107 Ų107133.7 Ų133.757%0.57280%0.8SS**  cis-159.9172.2-6.1-101.5-27.4000110.7
48H34.6Very low37.9Very low188 Ų188129.2 Ų129.287%0.8780%0.795SS**  trans77.1148.5166.9-3696.1000118
49G32.2Very low38.2Very low67 Ų67123.6 Ų123.669%0.69179%0.79SS**  cis165.5162.1-9.700000115.3
50N36.9Very low37.8Very low156 Ų156122.1 Ų122.183%0.83480%0.796SS**  trans67109.1164.9-67.3-5.9000122.1
51A29.4Very low37.9Very low101 Ų101121.9 Ų121.984%0.83580%0.797SS**  -156.3104.710800000108.1
52S39.7Very low38Very low96 Ų96122.3 Ų122.367%0.67179%0.794SS**  8710258.2-65.50000114.5
53V39Very low37.9Very low152 Ų152127.6 Ų127.692%0.92180%0.799SS**  trans-152.4142.2141.8-95.90000111.1
54S36.7Very low37.4Very low110 Ų110126.2 Ų126.277%0.76981%0.805SS**  trans-52.8143.2-179.1-51.70000114.2
55S39.7Very low37.8Very low128 Ų128126.3 Ų126.390%0.89581%0.806SS**  72.5123.553.9-50.10000115
56G31.6Very low38Very low77 Ų77126.3 Ų126.379%0.79481%0.806SS**  trans168124.617200000112.1
57S42Very low38.1Very low119 Ų119121.9 Ų121.983%0.83281%0.807SS**  trans-134.4141.5-179.3-57.10000111.4
58N40.8Very low38.8Very low156 Ų156122 Ų12283%0.83482%0.815SS**  trans-173.5121159.3-98.9-16.5000106.9
59S42.9Very low39.5Very low109 Ų109119.2 Ų119.276%0.76281%0.814SS**  96122.760.874.20000111.7
60G35.4Very low40Very low86 Ų86122.6 Ų122.689%0.88782%0.822SS**  trans153.6128170.900000113.5
61S48.2Very low40.6Very low120 Ų120125.5 Ų125.584%0.83983%0.827SS**  trans-143.8134.9178.11700000110.1
62C37.4Very low41.2Very low108 Ų108124 Ų12473%0.7382%0.821SS**  trans-174131.7142.453.50000115.3
63K41.1Very low41.6Very low204 Ų204129 Ų12989%0.88783%0.825SS**  trans61.3119.6134.8-61169.272.2177.40121.6
64G33.7Very low42.2Very low82 Ų82130.9 Ų130.985%0.84582%0.824SS**  trans97.6145.1147.700000115.7
65S44.6Very low42.6Very low115 Ų115133 Ų13380%0.80482%0.82SS**  cis-154.4141.7-6.6-171.80000110.4
66D44.4Very low43.2Very low156 Ų156138.7 Ų138.783%0.83482%0.823SS**  trans-69.1140.6161.5-58-79.5000110.4
67C37.8Very low44.2Very low123 Ų123140.9 Ų140.983%0.83182%0.821SS**  trans-171106.5153.5-120.90000113.4
68S46Very low44.2Very low108 Ų108139.5 Ų139.576%0.75581%0.812SS**  trans23142.8149-56.10000123.5
69P50.4Low44.6Very low130 Ų130138.4 Ų138.484%0.84482%0.815SS**PPolyproline II helixtrans-81.2122.6179.932.8-34.6000114
70T41.9Very low45.1Very low139 Ų139138.4 Ų138.485%0.85381%0.81SS**PPolyproline II helixtrans-86.9119171.847.20000112.3G72T70-G72 PolarHBondContact O-N 3.28Å
71K50.5Low45.6Very low217 Ų217139.7 Ų139.794%0.94380%0.797SS**PPolyproline II helixtrans-62122.3172.3-66.2177179.2177.20110.2
72G42.2Very low45.7Very low69 Ų69141.1 Ų141.171%0.71180%0.795SS**  trans-146.390.5-17100000115.5T70T70-G72 PolarHBondContact O-N 3.28Å
73R48.3Very low46.4Very low200 Ų200143.1 Ų143.176%0.75579%0.793SS**  trans62.7105.2150.3-159.8-170-160.1-58.20.6118.2
74Q51.8Low46.8Very low192 Ų192137 Ų13790%0.89779%0.789SS**  trans-53.1139.9157.3-72.1172.8-40.900111.3
75K44.4Very low47.7Very low156 Ų156140.3 Ų140.368%0.67879%0.785SS**  trans-149115.8169.8-140.9169.9-175.8-174.80107.3T77K75-T77 PolarHBondContact O-N 3.05Å
76Y50.9Low48.4Very low247 Ų247144.9 Ų144.997%0.96979%0.785SS**  trans-63.7101.9169.4-101.8-104.3000107.8
77T53.6Low49.1Very low122 Ų122142.3 Ų142.375%0.74878%0.776SS**  trans-89.8127.2160.846.90000107.4K75K75-T77 PolarHBondContact O-N 3.05Å
78S41.8Very low50Low91 Ų91140.4 Ų140.464%0.63676%0.763SS**  trans-55.4157.5-173.748.10000114.1T80S78-T80 PolarHBondContact O-N 3.46Å
79C49.3Very low50.5Low133 Ų133138.8 Ų138.890%0.89975%0.75SS**  trans-63.877.1168.6-50.80000111.7D81C79-D81 VanDerWaalsContact C-N 3.33Å
80T52.8Low50.9Low108 Ų108139 Ų13966%0.66375%0.751SS**  trans-103.956.8161.2580000108S78 N82S78-T80 PolarHBondContact O-N 3.46Å; T80-N82 PolarHBondContact O-N 3.08Å
81D46.5Very low51.6Low114 Ų114140.6 Ų140.661%0.6175%0.749SS**  trans-78.363.4-171-165.915.9000112.6C79 H83C79-D81 VanDerWaalsContact C-N 3.33Å; D81-H83 VanDerWaalsContact C-N 3.27Å; D81-H83 PolarHBondContact O-N 3.48Å; D81-H83 IonicContact OD1-CE1 2.72Å; D81-H83 PolarHBondContact OD1-CE1 3.4Å; D81-H83 IonicContact OD1-CG 2.74Å; D81-H83 IonicContact OD1-ND1 3.15Å; D81-H83 PolarHBondContact OD1-ND1 2.98Å
82N51Low51.9Low150 Ų150137.1 Ų137.180%0.80274%0.736SS**  trans-87.975.6162-69.5-86.1000107.2T80 G84T80-N82 PolarHBondContact O-N 3.08Å; N82-G84 VanDerWaalsContact C-N 3.29Å; N82-G84 PolarHBondContact O-N 3.35Å
83H50.8Low52.8Low149 Ų149144.1 Ų144.169%0.6974%0.743SS**  trans-55.293.5168.3-96.123.6000109.9D81 I85D81-H83 VanDerWaalsContact C-N 3.27Å; D81-H83 PolarHBondContact O-N 3.48Å; D81-H83 IonicContact OD1-CE1 2.72Å; D81-H83 PolarHBondContact OD1-CE1 3.4Å; D81-H83 IonicContact OD1-CG 2.74Å; D81-H83 IonicContact OD1-ND1 3.15Å; D81-H83 PolarHBondContact OD1-ND1 2.98Å; H83-I85 PolarHBondContact O-N 3.23Å
84G49.7Very low53.9Low77 Ų77138.6 Ų138.679%0.79473%0.728SS**  63-7.1110.200000119.5N82 R86N82-G84 VanDerWaalsContact C-N 3.29Å; N82-G84 PolarHBondContact O-N 3.35Å; G84-R86 PolarHBondContact O-N 3.41Å
85I53.5Low55.6Low150 Ų150133 Ų13377%0.76971%0.707SS**  trans-7771.7177.3-52.9172.4000108.4H83 P87H83-I85 PolarHBondContact O-N 3.23Å; I85-P87 WeakPolarHBondContact O-CD 3.47Å
86R58.1Low57.6Low211 Ų211130.3 Ų130.380%0.79671%0.705SS**PPolyproline II helixtrans-53.5121150.6177.4-175.1179.6-166.40.7105.9G84G84-R86 PolarHBondContact O-N 3.41Å
87P59.3Low59.4Low102 Ų102125 Ų12566%0.66269%0.693SS**PPolyproline II helixtrans-53.6132.7174.9-26.135.1000109.3I85I85-P87 WeakPolarHBondContact O-CD 3.47Å
88P57.3Low61.2Low83 Ų83123.9 Ų123.954%0.53968%0.679SS.*PPolyproline II helixtrans-55.8142175.922.4-31.7000109.2Q92P88-Q92 VanDerWaalsContact CB-OE1 3.23Å
89P56.5Low63.5Low75 Ų75125.5 Ų125.549%0.48768%0.676SS.*PPolyproline II helixtrans-57.5141.9-178.924.5-33.3000110.1E91 Q92P89-E91 PolarHBondContact O-N 3.29Å; P89-Q92 PolarHBondContact O-N 2.85Å
90P58.4Low65.6Low135 Ų135125.8 Ų125.888%0.87766%0.662SS**THydrogen-bonded Turntrans-69.69-160.728.1-37.3000115.9
91E56.1Low67.6Low172 Ų172123.8 Ų123.880%0.80465%0.645SS**THydrogen-bonded Turntrans-106.11-179.7-59-173.7145.700113P89 Y93P89-E91 PolarHBondContact O-N 3.29Å; E91-Y93 PolarHBondContact O-N 2.89Å; E91-Y93 VanDerWaalsContact O-N 3.09Å
92Q57.8Low69.9Low144 Ų144121.8 Ų121.867%0.67364%0.637SS**SBendtrans-70.2107.6168.3-74.1-165.4-43.200110.1P88 P89P88-Q92 VanDerWaalsContact CB-OE1 3.23Å; P89-Q92 PolarHBondContact O-N 2.85Å
93Y60.3Low72Confident216 Ų216117.8 Ų117.885%0.84762%0.62SS**  trans-40.6138.1174.2-60.1-90.3000112.7E91E91-Y93 PolarHBondContact O-N 2.89Å; E91-Y93 VanDerWaalsContact O-N 3.09Å
94L72.8Confident74.2Confident84 Ų84114 Ų11444%0.4461%0.605SS.*SBendtrans3.6116.4162.6-65.6161.5000114.3Q98 Q99 V102L94-Q98 HydrophobicContact CB-CB 3.87Å; L94-Q98 HydrophobicContact CD2-CB 3.86Å; L94-Q98 HydrophobicContact CG-CB 4.47Å; L94-Q99 HydrophobicContact CB-CB 4.34Å; L94-V102 HydrophobicContact CD1-CB 4.46Å; L94-V102 HydrophobicContact CD1-CG2 3.94Å
95T85.6Confident76.5Confident75 Ų75117.6 Ų117.646%0.4659%0.594SS.*  trans-49.3153.8-179.871.60000111.4L97 Q98 Q99T95-L97 CarbonylContact O-C 3.54Å; T95-L97 PolarHBondContact O-N 3.38Å; T95-Q98 CarbonylContact O-C 3.58Å; T95-Q98 WeakPolarHBondContact O-CA 3.25Å; T95-Q98 WeakPolarHBondContact O-CB 3.44Å; T95-Q98 PolarHBondContact O-N 3.08Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.36Å; T95-Q98 PolarHBondContact OG1-N 3.5Å; T95-Q99 PolarHBondContact O-N 3.34Å
96P86.9Confident78.6Confident98 Ų98115.3 Ų115.364%0.63658%0.58SS**Hα-helixtrans-54.3-21.1-176.3-3036.7000115.3K100P96-K100 WeakPolarHBondContact O-CD 3.47Å; P96-K100 VanDerWaalsContact O-CG 3.22Å; P96-K100 WeakPolarHBondContact O-CG 3.42Å; P96-K100 PolarHBondContact O-N 3.27Å
97L89.5Confident80.5Confident136 Ų136110.3 Ų110.371%0.71257%0.569SS**Hα-helixtrans-76.9-48.4168.6-175.663.7000112.6T95 Q99 K100 E101T95-L97 CarbonylContact O-C 3.54Å; T95-L97 PolarHBondContact O-N 3.38Å; L97-Q99 VanDerWaalsContact C-N 3.35Å; L97-Q99 PolarHBondContact O-N 3.01Å; L97-K100 WeakPolarHBondContact O-CB 3.46Å; L97-K100 PolarHBondContact O-N 3.49Å; L97-E101 PolarHBondContact O-N 2.89Å
98Q91.4Very high82.4Confident98 Ų98113.2 Ų113.246%0.45857%0.566SS.*Hα-helixtrans-61.9-38.4175-68.4172.3-27.400112.5L94 T95 E101 V102L94-Q98 HydrophobicContact CB-CB 3.87Å; L94-Q98 HydrophobicContact CD2-CB 3.86Å; L94-Q98 HydrophobicContact CG-CB 4.47Å; T95-Q98 CarbonylContact O-C 3.58Å; T95-Q98 WeakPolarHBondContact O-CA 3.25Å; T95-Q98 WeakPolarHBondContact O-CB 3.44Å; T95-Q98 PolarHBondContact O-N 3.08Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.36Å; T95-Q98 PolarHBondContact OG1-N 3.5Å; Q98-E101 PolarHBondContact O-N 3.11Å; Q98-V102 WeakPolarHBondContact O-CG2 3.47Å; Q98-V102 PolarHBondContact O-N 3.26Å
99Q90.8Very high84.3Confident125 Ų125112.1 Ų112.158%0.58456%0.564SS**Hα-helixtrans-65.3-41175.9-168.1-175.419.500111.3L94 T95 L97 C103L94-Q99 HydrophobicContact CB-CB 4.34Å; T95-Q99 PolarHBondContact O-N 3.34Å; L97-Q99 VanDerWaalsContact C-N 3.35Å; L97-Q99 PolarHBondContact O-N 3.01Å; Q99-C103 WeakPolarHBondContact O-CB 3.44Å; Q99-C103 PolarHBondContact O-N 3.04Å
100K92.1Very high86.3Confident140 Ų140113.6 Ų113.661%0.60956%0.563SS**Hα-helixtrans-61.3-45.5171.4-78.1172.6-179.4-178.30111.4P96 L97 V102 C103 I104P96-K100 WeakPolarHBondContact O-CD 3.47Å; P96-K100 VanDerWaalsContact O-CG 3.22Å; P96-K100 WeakPolarHBondContact O-CG 3.42Å; P96-K100 PolarHBondContact O-N 3.27Å; L97-K100 WeakPolarHBondContact O-CB 3.46Å; L97-K100 PolarHBondContact O-N 3.49Å; K100-V102 PolarHBondContact O-N 2.8Å; K100-C103 WeakPolarHBondContact O-CB 3.34Å; K100-C103 PolarHBondContact O-N 2.76Å; K100-I104 WeakPolarHBondContact O-CB 3.41Å; K100-I104 VanDerWaalsContact O-CG1 3.25Å; K100-I104 WeakPolarHBondContact O-CG1 3.36Å; K100-I104 PolarHBondContact O-N 3.38Å
101E95.8Very high88.2Confident65 Ų65112.1 Ų112.130%0.30455%0.547SS..Hα-helixtrans-62.4-42.6178.6174.458.4-17100112.5L97 Q98 C103 I104 R105L97-E101 PolarHBondContact O-N 2.89Å; Q98-E101 PolarHBondContact O-N 3.11Å; E101-C103 PolarHBondContact O-N 2.96Å; E101-I104 PolarHBondContact O-N 2.84Å; E101-R105 WeakPolarHBondContact O-CG 3.33Å; E101-R105 PolarHBondContact O-N 2.86Å; E101-R105 IonicContact OE1-CZ 2.63Å; E101-R105 IonicContact OE1-NE 3.64Å; E101-R105 PolarHBondContact OE1-NE 3.21Å; E101-R105 IonicContact OE1-NH2 3.39Å; E101-R105 PolarHBondContact OE1-NH2 3.38Å
102V95Very high90.3Very high72 Ų72110.5 Ų110.544%0.43654%0.537SS..Hα-helixtrans-64-40.1173.4170.60000111.5L94 Q98 K100 R105 H106L94-V102 HydrophobicContact CD1-CB 4.46Å; L94-V102 HydrophobicContact CD1-CG2 3.94Å; Q98-V102 WeakPolarHBondContact O-CG2 3.47Å; Q98-V102 PolarHBondContact O-N 3.26Å; K100-V102 PolarHBondContact O-N 2.8Å; V102-R105 PolarHBondContact O-N 3.48Å; V102-H106 PolarHBondContact O-N 2.91Å
103C94.8Very high92.2Very high67 Ų67109.5 Ų109.545%0.45353%0.532SS..Hα-helixtrans-62.6-43.9174.2-170.90000112Q99 K100 E101 R105 H106 L107Q99-C103 WeakPolarHBondContact O-CB 3.44Å; Q99-C103 PolarHBondContact O-N 3.04Å; K100-C103 WeakPolarHBondContact O-CB 3.34Å; K100-C103 PolarHBondContact O-N 2.76Å; E101-C103 PolarHBondContact O-N 2.96Å; C103-R105 PolarHBondContact O-N 3.43Å; C103-H106 PolarHBondContact O-N 3.49Å; C103-L107 WeakPolarHBondContact O-CB 3.27Å; C103-L107 WeakPolarHBondContact O-CG 3.32Å; C103-L107 PolarHBondContact O-N 3.49Å
104I96.9Very high94Very high70 Ų70102.5 Ų102.536%0.35951%0.513SS..Hα-helixtrans-61.8-42.9176.3-71.5162.6000110.8K100 E101 L107 R108K100-I104 WeakPolarHBondContact O-CB 3.41Å; K100-I104 VanDerWaalsContact O-CG1 3.25Å; K100-I104 WeakPolarHBondContact O-CG1 3.36Å; K100-I104 PolarHBondContact O-N 3.38Å; E101-I104 PolarHBondContact O-N 2.84Å; I104-L107 PolarHBondContact O-N 3.02Å; I104-R108 HydrophobicContact CG2-CG 4.45Å; I104-R108 VanDerWaalsContact CG2-CZ 3.48Å; I104-R108 WeakPolarHBondContact O-CB 3.37Å; I104-R108 VanDerWaalsContact O-CG 3.27Å; I104-R108 WeakPolarHBondContact O-CG 3.45Å; I104-R108 PolarHBondContact O-N 3.37Å
105R97.2Very high95.2Very high151 Ų151102.1 Ų102.157%0.5751%0.51SS*.Hα-helixtrans-61.8-44174.3-71174.5-167.1-178.35.7112.1E101 V102 C103 R108 A109E101-R105 WeakPolarHBondContact O-CG 3.33Å; E101-R105 PolarHBondContact O-N 2.86Å; E101-R105 IonicContact OE1-CZ 2.63Å; E101-R105 IonicContact OE1-NE 3.64Å; E101-R105 PolarHBondContact OE1-NE 3.21Å; E101-R105 IonicContact OE1-NH2 3.39Å; E101-R105 PolarHBondContact OE1-NH2 3.38Å; V102-R105 PolarHBondContact O-N 3.48Å; C103-R105 PolarHBondContact O-N 3.43Å; R105-R108 PolarHBondContact O-N 3.41Å; R105-A109 WeakPolarHBondContact O-CB 3.28Å; R105-A109 PolarHBondContact O-N 3.49Å
106H97.8Very high95.8Very high103 Ų103101.9 Ų101.948%0.47751%0.506SS..Hα-helixtrans-63.2-42.8176.8-176.562.7000112.5V102 C103 A109 K110V102-H106 PolarHBondContact O-N 2.91Å; C103-H106 PolarHBondContact O-N 3.49Å; H106-A109 PolarHBondContact O-N 3.23Å; H106-K110 WeakPolarHBondContact NE2-CE 3.48Å; H106-K110 PolarHBondContact O-N 2.71Å
107L98.6Very high96.4Very high106 Ų106100.6 Ų100.656%0.55550%0.497SS*.Hα-helixtrans-66.8-40.3176.1-70.1171.9000112C103 I104 K110 L111C103-L107 WeakPolarHBondContact O-CB 3.27Å; C103-L107 WeakPolarHBondContact O-CG 3.32Å; C103-L107 PolarHBondContact O-N 3.49Å; I104-L107 PolarHBondContact O-N 3.02Å; L107-K110 PolarHBondContact O-N 3.43Å; L107-L111 VanDerWaalsContact O-CB 3.28Å; L107-L111 WeakPolarHBondContact O-CB 3.39Å; L107-L111 PolarHBondContact O-N 2.83Å
108R98.1Very high96.8Very high163 Ų16399.2 Ų99.262%0.61549%0.489SS*.Hα-helixtrans-62.6-41.6172.5-75.3171.7175.7162.6-0.7112I104 R105 L111 K112I104-R108 HydrophobicContact CG2-CG 4.45Å; I104-R108 VanDerWaalsContact CG2-CZ 3.48Å; I104-R108 WeakPolarHBondContact O-CB 3.37Å; I104-R108 VanDerWaalsContact O-CG 3.27Å; I104-R108 WeakPolarHBondContact O-CG 3.45Å; I104-R108 PolarHBondContact O-N 3.37Å; R105-R108 PolarHBondContact O-N 3.41Å; R108-L111 PolarHBondContact O-N 3.02Å; R108-K112 WeakPolarHBondContact O-CB 3.43Å; R108-K112 PolarHBondContact O-N 2.95Å
109A98.3Very high97.2Very high59 Ų5999.8 Ų99.849%0.48849%0.492SS..Hα-helixtrans-63.5-48.9176.600000111.5R105 H106 L111 K112 E113R105-A109 WeakPolarHBondContact O-CB 3.28Å; R105-A109 PolarHBondContact O-N 3.49Å; H106-A109 PolarHBondContact O-N 3.23Å; A109-L111 PolarHBondContact O-N 3.25Å; A109-K112 PolarHBondContact O-N 2.9Å; A109-E113 WeakPolarHBondContact O-CB 3.45Å; A109-E113 PolarHBondContact O-N 2.85Å
110K98.4Very high97.5Very high106 Ų10698.8 Ų98.846%0.46149%0.49SS..Hα-helixtrans-61.9-39.8174.7-80.7-171.7165.4-172.60113.3H106 L107 E113 T114H106-K110 WeakPolarHBondContact NE2-CE 3.48Å; H106-K110 PolarHBondContact O-N 2.71Å; L107-K110 PolarHBondContact O-N 3.43Å; K110-E113 WeakPolarHBondContact O-CB 3.45Å; K110-E113 PolarHBondContact O-N 2.95Å; K110-T114 WeakPolarHBondContact O-CG2 3.5Å; K110-T114 PolarHBondContact O-N 3.04Å; K110-T114 PolarHBondContact O-OG1 3.29Å
111L98.7Very high97.8Very high104 Ų10498.6 Ų98.655%0.54549%0.486SS..Hα-helixtrans-62.5-46175.6-179.260.2000110.5L107 R108 A109 E113 T114 I115L107-L111 VanDerWaalsContact O-CB 3.28Å; L107-L111 WeakPolarHBondContact O-CB 3.39Å; L107-L111 PolarHBondContact O-N 2.83Å; R108-L111 PolarHBondContact O-N 3.02Å; A109-L111 PolarHBondContact O-N 3.25Å; L111-E113 PolarHBondContact O-N 3.26Å; L111-T114 WeakPolarHBondContact CA-OG1 3.14Å; L111-T114 PolarHBondContact O-N 2.92Å; L111-T114 PolarHBondContact O-OG1 3.45Å; L111-I115 HydrophobicContact CD1-CD1 4.11Å; L111-I115 HydrophobicContact CD1-CG1 4.4Å; L111-I115 HydrophobicContact CG-CD1 3.9Å; L111-I115 VanDerWaalsContact O-CG1 3.3Å; L111-I115 WeakPolarHBondContact O-CG1 3.44Å; L111-I115 PolarHBondContact O-N 3.02Å
112K98.6Very high98Very high139 Ų13999.9 Ų99.960%0.60450%0.495SS*.Hα-helixtrans-61.3-42.9174.8-173.2174.9-178.6178.30112.2R108 A109 I115 N116R108-K112 WeakPolarHBondContact O-CB 3.43Å; R108-K112 PolarHBondContact O-N 2.95Å; A109-K112 PolarHBondContact O-N 2.9Å; K112-I115 PolarHBondContact O-N 3.43Å; K112-N116 WeakPolarHBondContact O-CB 3.41Å; K112-N116 VanDerWaalsContact O-CG 3.26Å; K112-N116 PolarHBondContact O-N 2.87Å; K112-N116 PolarHBondContact O-OD1 3.07Å; K112-N116 VanDerWaalsContact O-OD1 3.13Å
113E98.3Very high98.2Very high122 Ų122100.7 Ų100.757%0.5750%0.5SS*.Hα-helixtrans-56.3-49.8173.3-176.6179.3-158.200111A109 K110 L111 I115 N116 T117A109-E113 WeakPolarHBondContact O-CB 3.45Å; A109-E113 PolarHBondContact O-N 2.85Å; K110-E113 WeakPolarHBondContact O-CB 3.45Å; K110-E113 PolarHBondContact O-N 2.95Å; L111-E113 PolarHBondContact O-N 3.26Å; E113-I115 PolarHBondContact O-N 3.47Å; E113-N116 PolarHBondContact O-N 3.19Å; E113-T117 WeakPolarHBondContact O-CG2 3.07Å; E113-T117 PolarHBondContact O-N 3.06Å; E113-T117 PolarHBondContact O-OG1 3.09Å
114T98.3Very high98.3Very high70 Ų70101.3 Ų101.343%0.42950%0.497SS..Hα-helixtrans-63-40.6177550000113.1K110 L111 T117 L118K110-T114 WeakPolarHBondContact O-CG2 3.5Å; K110-T114 PolarHBondContact O-N 3.04Å; K110-T114 PolarHBondContact O-OG1 3.29Å; L111-T114 WeakPolarHBondContact CA-OG1 3.14Å; L111-T114 PolarHBondContact O-N 2.92Å; L111-T114 PolarHBondContact O-OG1 3.45Å; T114-T117 WeakPolarHBondContact CA-OG1 3.22Å; T114-T117 PolarHBondContact O-N 3.34Å; T114-T117 PolarHBondContact O-OG1 3.4Å; T114-L118 WeakPolarHBondContact O-CG 3.4Å; T114-L118 PolarHBondContact O-N 2.94Å
115I98.6Very high98.4Very high75 Ų75100.7 Ų100.739%0.38549%0.493SS..Hα-helixtrans-63-47.4176.8-70.4165.9000110.7L111 K112 E113 T117 L118 Q119L111-I115 HydrophobicContact CD1-CD1 4.11Å; L111-I115 HydrophobicContact CD1-CG1 4.4Å; L111-I115 HydrophobicContact CG-CD1 3.9Å; L111-I115 VanDerWaalsContact O-CG1 3.3Å; L111-I115 WeakPolarHBondContact O-CG1 3.44Å; L111-I115 PolarHBondContact O-N 3.02Å; K112-I115 PolarHBondContact O-N 3.43Å; E113-I115 PolarHBondContact O-N 3.47Å; I115-T117 PolarHBondContact O-N 3.36Å; I115-L118 PolarHBondContact O-N 3.04Å; I115-Q119 HydrophobicContact CG2-CG 4.48Å; I115-Q119 WeakPolarHBondContact O-CG 3.44Å; I115-Q119 PolarHBondContact O-N 3.02Å
116N98.4Very high98.5Very high70 Ų7097.3 Ų97.337%0.37449%0.487SS..Hα-helixtrans-56.1-50.6175.2-72.715.4000110.5K112 E113 L118 Q119 D120K112-N116 WeakPolarHBondContact O-CB 3.41Å; K112-N116 VanDerWaalsContact O-CG 3.26Å; K112-N116 PolarHBondContact O-N 2.87Å; K112-N116 PolarHBondContact O-OD1 3.07Å; K112-N116 VanDerWaalsContact O-OD1 3.13Å; E113-N116 PolarHBondContact O-N 3.19Å; N116-L118 VanDerWaalsContact C-N 3.26Å; N116-L118 PolarHBondContact O-N 2.88Å; N116-Q119 PolarHBondContact O-N 3.01Å; N116-Q119 VanDerWaalsContact O-N 3.1Å; N116-D120 VanDerWaalsContact O-CG 3.28Å; N116-D120 PolarHBondContact O-N 3.05Å
117T98.6Very high98.5Very high72 Ų7295.7 Ų95.744%0.44248%0.484SS..Hα-helixtrans-63.2-30.3-179.959.40000113.2E113 T114 I115 R121E113-T117 WeakPolarHBondContact O-CG2 3.07Å; E113-T117 PolarHBondContact O-N 3.06Å; E113-T117 PolarHBondContact O-OG1 3.09Å; T114-T117 WeakPolarHBondContact CA-OG1 3.22Å; T114-T117 PolarHBondContact O-N 3.34Å; T114-T117 PolarHBondContact O-OG1 3.4Å; I115-T117 PolarHBondContact O-N 3.36Å; T117-R121 VanDerWaalsContact O-CG 3.3Å; T117-R121 WeakPolarHBondContact O-CG 3.33Å; T117-R121 PolarHBondContact O-N 2.83Å
118L98.6Very high98.5Very high106 Ų10695 Ų9556%0.55548%0.48SS*.Hα-helixtrans-70.1-44.8173-73.5172.7000111.1T114 I115 N116 D120 R121 D122T114-L118 WeakPolarHBondContact O-CG 3.4Å; T114-L118 PolarHBondContact O-N 2.94Å; I115-L118 PolarHBondContact O-N 3.04Å; N116-L118 VanDerWaalsContact C-N 3.26Å; N116-L118 PolarHBondContact O-N 2.88Å; L118-D120 PolarHBondContact O-N 3.17Å; L118-R121 CarbonylContact O-C 3.46Å; L118-R121 WeakPolarHBondContact O-CA 3.36Å; L118-R121 PolarHBondContact O-N 3.03Å; L118-R121 VanDerWaalsContact O-N 3.08Å; L118-D122 PolarHBondContact O-N 3.33Å
119Q98.6Very high98.5Very high110 Ų11093.5 Ų93.551%0.51448%0.475SS..Hα-helixtrans-62-40.2176.2-70.5175.6-29.500112.5I115 N116 R121 D122 T123I115-Q119 HydrophobicContact CG2-CG 4.48Å; I115-Q119 WeakPolarHBondContact O-CG 3.44Å; I115-Q119 PolarHBondContact O-N 3.02Å; N116-Q119 PolarHBondContact O-N 3.01Å; N116-Q119 VanDerWaalsContact O-N 3.1Å; Q119-R121 VanDerWaalsContact C-N 3.28Å; Q119-R121 PolarHBondContact O-N 3.37Å; Q119-D122 PolarHBondContact O-N 3.47Å; Q119-T123 WeakPolarHBondContact O-CG2 3.18Å; Q119-T123 PolarHBondContact O-N 3.35Å; Q119-T123 PolarHBondContact O-OG1 3.35Å
120D98.6Very high98.5Very high104 Ų10494.4 Ų94.456%0.55648%0.477SS*.Hα-helixtrans-59.1-40.7172.7-66.2-31.3000110.9N116 L118 T123 E124N116-D120 VanDerWaalsContact O-CG 3.28Å; N116-D120 PolarHBondContact O-N 3.05Å; L118-D120 PolarHBondContact O-N 3.17Å; D120-T123 PolarHBondContact O-OG1 3.41Å; D120-E124 WeakPolarHBondContact O-CB 3.28Å; D120-E124 PolarHBondContact O-N 2.94Å
121R98.5Very high98.6Very high136 Ų13695.1 Ų95.151%0.51348%0.481SS..Hα-helixtrans-72.8-35.7176.7-68.3-15564.454.522.4113.5T117 L118 Q119 E124 I125T117-R121 VanDerWaalsContact O-CG 3.3Å; T117-R121 WeakPolarHBondContact O-CG 3.33Å; T117-R121 PolarHBondContact O-N 2.83Å; L118-R121 CarbonylContact O-C 3.46Å; L118-R121 WeakPolarHBondContact O-CA 3.36Å; L118-R121 PolarHBondContact O-N 3.03Å; L118-R121 VanDerWaalsContact O-N 3.08Å; Q119-R121 VanDerWaalsContact C-N 3.28Å; Q119-R121 PolarHBondContact O-N 3.37Å; R121-E124 IonicContact CZ-OE2 3.99Å; R121-E124 IonicContact NH1-OE2 3.86Å; R121-E124 PolarHBondContact NH1-OE2 3.13Å; R121-E124 IonicContact NH2-OE2 3.72Å; R121-E124 PolarHBondContact NH2-OE2 3.35Å; R121-E124 PolarHBondContact O-N 2.91Å; R121-I125 WeakPolarHBondContact O-CB 3.39Å; R121-I125 WeakPolarHBondContact O-CD1 3.35Å; R121-I125 WeakPolarHBondContact O-CG1 3.37Å; R121-I125 PolarHBondContact O-N 3.31Å
122D98.7Very high98.6Very high93 Ų9395.8 Ų95.850%0.49748%0.484SS..Hα-helixtrans-66.1-42.2175.1-72.3-33.8000110.7L118 Q119 I125 D126L118-D122 PolarHBondContact O-N 3.33Å; Q119-D122 PolarHBondContact O-N 3.47Å; D122-I125 WeakPolarHBondContact O-CB 3.33Å; D122-I125 PolarHBondContact O-N 3.34Å; D122-D126 PolarHBondContact O-N 3.21Å
123T98.5Very high98.5Very high88 Ų8896 Ų9654%0.5448%0.482SS..Hα-helixtrans-66.3-39.2172.761.10000112.5Q119 D120 I125 D126 T127Q119-T123 WeakPolarHBondContact O-CG2 3.18Å; Q119-T123 PolarHBondContact O-N 3.35Å; Q119-T123 PolarHBondContact O-OG1 3.35Å; D120-T123 PolarHBondContact O-OG1 3.41Å; T123-I125 VanDerWaalsContact C-N 3.34Å; T123-I125 PolarHBondContact O-N 3.08Å; T123-D126 PolarHBondContact O-N 2.8Å; T123-T127 WeakPolarHBondContact O-CG2 3.47Å; T123-T127 PolarHBondContact O-N 3.33Å
124E98.7Very high98.5Very high81 Ų8197.5 Ų97.538%0.37948%0.482SS..Hα-helixtrans-55-50.4170.8-178.2-175.8-141.700110.6D120 R121 D126 T127 L128D120-E124 WeakPolarHBondContact O-CB 3.28Å; D120-E124 PolarHBondContact O-N 2.94Å; R121-E124 IonicContact CZ-OE2 3.99Å; R121-E124 IonicContact NH1-OE2 3.86Å; R121-E124 PolarHBondContact NH1-OE2 3.13Å; R121-E124 IonicContact NH2-OE2 3.72Å; R121-E124 PolarHBondContact NH2-OE2 3.35Å; R121-E124 PolarHBondContact O-N 2.91Å; E124-D126 VanDerWaalsContact C-N 3.32Å; E124-D126 PolarHBondContact O-N 3.19Å; E124-T127 PolarHBondContact O-N 3.49Å; E124-T127 PolarHBondContact O-OG1 3Å; E124-L128 HydrophobicContact CG-CD1 4.05Å; E124-L128 WeakPolarHBondContact O-CG 3.5Å; E124-L128 PolarHBondContact O-N 3.06Å
125I98.6Very high98.5Very high57 Ų57100.4 Ų100.429%0.29249%0.493SS..Hα-helixtrans-57.7-43178.3-73163.6000111.2R121 D122 T123 L128 R129R121-I125 WeakPolarHBondContact O-CB 3.39Å; R121-I125 WeakPolarHBondContact O-CD1 3.35Å; R121-I125 WeakPolarHBondContact O-CG1 3.37Å; R121-I125 PolarHBondContact O-N 3.31Å; D122-I125 WeakPolarHBondContact O-CB 3.33Å; D122-I125 PolarHBondContact O-N 3.34Å; T123-I125 VanDerWaalsContact C-N 3.34Å; T123-I125 PolarHBondContact O-N 3.08Å; I125-L128 PolarHBondContact O-N 2.67Å; I125-R129 HydrophobicContact CG2-CG 4.47Å; I125-R129 VanDerWaalsContact CG2-CZ 3.43Å; I125-R129 WeakPolarHBondContact O-CG 3.5Å; I125-R129 PolarHBondContact O-N 3.39Å
126D98.6Very high98.5Very high80 Ų80102 Ų10243%0.42850%0.499SS..Hα-helixtrans-70.4-34.2178-76.6-23.9000113D122 T123 E124 L128 R129 S130D122-D126 PolarHBondContact O-N 3.21Å; T123-D126 PolarHBondContact O-N 2.8Å; E124-D126 VanDerWaalsContact C-N 3.32Å; E124-D126 PolarHBondContact O-N 3.19Å; D126-L128 VanDerWaalsContact C-N 3.3Å; D126-L128 PolarHBondContact O-N 2.86Å; D126-R129 PolarHBondContact O-N 3.1Å; D126-R129 VanDerWaalsContact OD1-CD 3.23Å; D126-R129 WeakPolarHBondContact OD1-CD 3.44Å; D126-R129 IonicContact OD1-CZ 3.09Å; D126-R129 IonicContact OD1-NE 2.7Å; D126-R129 IonicContact OD1-NH1 2.75Å; D126-R129 PolarHBondContact OD1-NH1 2.94Å; D126-S130 WeakPolarHBondContact O-CB 3.39Å; D126-S130 PolarHBondContact O-N 3.38Å; D126-S130 PolarHBondContact O-OG 3.45Å; D126-S130 VanDerWaalsContact O-OG 3.06Å
127T98.6Very high98.5Very high69 Ų69104 Ų10442%0.42351%0.506SS..Hα-helixtrans-66.2-33.6169.672.80000112.5T123 E124 K131T123-T127 WeakPolarHBondContact O-CG2 3.47Å; T123-T127 PolarHBondContact O-N 3.33Å; E124-T127 PolarHBondContact O-N 3.49Å; E124-T127 PolarHBondContact O-OG1 3Å; T127-K131 WeakPolarHBondContact O-CD 3.48Å; T127-K131 VanDerWaalsContact O-CG 3.27Å; T127-K131 WeakPolarHBondContact O-CG 3.23Å; T127-K131 PolarHBondContact O-N 2.65Å
128L98.6Very high98.5Very high91 Ų91104 Ų10448%0.47650%0.503SS..Hα-helixtrans-72.9-38.2176.6-69.5172.3000111.6E124 I125 D126 K131 L132E124-L128 HydrophobicContact CG-CD1 4.05Å; E124-L128 WeakPolarHBondContact O-CG 3.5Å; E124-L128 PolarHBondContact O-N 3.06Å; I125-L128 PolarHBondContact O-N 2.67Å; D126-L128 VanDerWaalsContact C-N 3.3Å; D126-L128 PolarHBondContact O-N 2.86Å; L128-K131 HydrophobicContact CD2-CD 4.39Å; L128-K131 PolarHBondContact O-N 2.84Å; L128-L132 WeakPolarHBondContact O-CB 3.41Å; L128-L132 PolarHBondContact O-N 3.28Å
129R98.5Very high98.5Very high131 Ų131105.9 Ų105.949%0.49450%0.503SS..Hα-helixtrans-58.8-50.2169.8-74.8164.7173.4158.71.5110.9I125 D126 K131 L132 Y133I125-R129 HydrophobicContact CG2-CG 4.47Å; I125-R129 VanDerWaalsContact CG2-CZ 3.43Å; I125-R129 WeakPolarHBondContact O-CG 3.5Å; I125-R129 PolarHBondContact O-N 3.39Å; D126-R129 PolarHBondContact O-N 3.1Å; D126-R129 VanDerWaalsContact OD1-CD 3.23Å; D126-R129 WeakPolarHBondContact OD1-CD 3.44Å; D126-R129 IonicContact OD1-CZ 3.09Å; D126-R129 IonicContact OD1-NE 2.7Å; D126-R129 IonicContact OD1-NH1 2.75Å; D126-R129 PolarHBondContact OD1-NH1 2.94Å; R129-K131 VanDerWaalsContact C-N 3.3Å; R129-K131 PolarHBondContact O-N 3.33Å; R129-L132 PolarHBondContact O-N 3.32Å; R129-L132 VanDerWaalsContact O-N 3.1Å; R129-Y133 HydrophobicContact CB-CD2 4.45Å; R129-Y133 HydrophobicContact CB-CE2 4.25Å; R129-Y133 WeakPolarHBondContact O-CD2 3.35Å; R129-Y133 PolarHBondContact O-N 2.69Å
130S98.6Very high98.5Very high78 Ų78104.2 Ų104.255%0.54550%0.5SS..Hα-helixtrans-60.3-37.3178.1-62.80000113.1D126 R134D126-S130 WeakPolarHBondContact O-CB 3.39Å; D126-S130 PolarHBondContact O-N 3.38Å; D126-S130 PolarHBondContact O-OG 3.45Å; D126-S130 VanDerWaalsContact O-OG 3.06Å; S130-R134 PolarHBondContact O-N 3.03Å
131K98.7Very high98.5Very high122 Ų122105.1 Ų105.153%0.5350%0.501SS..Hα-helixtrans-66.9-43.2172.4-73.1162.5-175.9163.60112T127 L128 R129 R134 M135T127-K131 WeakPolarHBondContact O-CD 3.48Å; T127-K131 VanDerWaalsContact O-CG 3.27Å; T127-K131 WeakPolarHBondContact O-CG 3.23Å; T127-K131 PolarHBondContact O-N 2.65Å; L128-K131 HydrophobicContact CD2-CD 4.39Å; L128-K131 PolarHBondContact O-N 2.84Å; R129-K131 VanDerWaalsContact C-N 3.3Å; R129-K131 PolarHBondContact O-N 3.33Å; K131-R134 PolarHBondContact O-N 2.98Å; K131-M135 WeakPolarHBondContact O-CG 3.29Å; K131-M135 PolarHBondContact O-N 2.86Å
132L98.8Very high98.4Very high117 Ų117105.1 Ų105.161%0.61351%0.507SS*.Hα-helixtrans-65.9-41.6179.9-178.662.9000112L128 R129 M135 Q136L128-L132 WeakPolarHBondContact O-CB 3.41Å; L128-L132 PolarHBondContact O-N 3.28Å; R129-L132 PolarHBondContact O-N 3.32Å; R129-L132 VanDerWaalsContact O-N 3.1Å; L132-M135 PolarHBondContact O-N 2.84Å; L132-Q136 WeakPolarHBondContact O-CB 3.39Å; L132-Q136 PolarHBondContact O-N 2.88Å
133Y98.3Very high98.4Very high145 Ų145103.1 Ų103.157%0.56949%0.494SS*.Hα-helixtrans-59.8-48.2174.3-75.7-57.6000111.3R129 M135 Q136 E137R129-Y133 HydrophobicContact CB-CD2 4.45Å; R129-Y133 HydrophobicContact CB-CE2 4.25Å; R129-Y133 WeakPolarHBondContact O-CD2 3.35Å; R129-Y133 PolarHBondContact O-N 2.69Å; Y133-M135 PolarHBondContact O-N 3.06Å; Y133-Q136 CarbonylContact O-C 3.56Å; Y133-Q136 WeakPolarHBondContact O-CA 3.32Å; Y133-Q136 WeakPolarHBondContact O-CB 3.44Å; Y133-Q136 PolarHBondContact O-N 3.34Å; Y133-Q136 VanDerWaalsContact O-N 3.09Å; Y133-E137 WeakPolarHBondContact O-CG 3.13Å; Y133-E137 PolarHBondContact O-N 3.23Å
134R98.3Very high98.4Very high152 Ų152101.9 Ų101.957%0.57449%0.489SS*.Hα-helixtrans-59.2-46.8174.9-78.2-164.759-123.1-29.4113.1S130 K131 Q136 E137 D138S130-R134 PolarHBondContact O-N 3.03Å; K131-R134 PolarHBondContact O-N 2.98Å; R134-Q136 PolarHBondContact O-N 3.17Å; R134-E137 WeakPolarHBondContact O-CB 3.4Å; R134-E137 PolarHBondContact O-N 3.32Å; R134-E137 VanDerWaalsContact O-N 3.11Å; R134-D138 IonicContact NH2-OD1 3.18Å; R134-D138 IonicContact NH2-OD2 2.81Å; R134-D138 WeakPolarHBondContact O-CB 3.21Å; R134-D138 PolarHBondContact O-N 3.46Å; R134-D138 VanDerWaalsContact O-OD2 3.13Å
135M97.9Very high98.4Very high131 Ų131103.7 Ų103.765%0.64550%0.497SS*.Hα-helixtrans-64.1-25.8176.4-70.9179.267.600113.2K131 L132 Y133 W139K131-M135 WeakPolarHBondContact O-CG 3.29Å; K131-M135 PolarHBondContact O-N 2.86Å; L132-M135 PolarHBondContact O-N 2.84Å; Y133-M135 PolarHBondContact O-N 3.06Å; M135-W139 VanDerWaalsContact O-CB 3.27Å; M135-W139 WeakPolarHBondContact O-CB 3.37Å; M135-W139 PolarHBondContact O-N 3.33Å
136Q98.6Very high98.4Very high110 Ų110107 Ų10751%0.51451%0.505SS..Hα-helixtrans-75.7-40.2172.4-176-170.1-44.100111.3L132 Y133 R134 W139 V140L132-Q136 WeakPolarHBondContact O-CB 3.39Å; L132-Q136 PolarHBondContact O-N 2.88Å; Y133-Q136 CarbonylContact O-C 3.56Å; Y133-Q136 WeakPolarHBondContact O-CA 3.32Å; Y133-Q136 WeakPolarHBondContact O-CB 3.44Å; Y133-Q136 PolarHBondContact O-N 3.34Å; Y133-Q136 VanDerWaalsContact O-N 3.09Å; R134-Q136 PolarHBondContact O-N 3.17Å; Q136-W139 PolarHBondContact O-N 2.98Å; Q136-V140 WeakPolarHBondContact O-CB 3.36Å; Q136-V140 VanDerWaalsContact O-CG2 3.28Å; Q136-V140 WeakPolarHBondContact O-CG2 3.47Å; Q136-V140 PolarHBondContact O-N 3.49Å
137E98.1Very high98.4Very high111 Ų111106.7 Ų106.752%0.51951%0.507SS..Hα-helixtrans-62.3-53.7173.4-69.1162.8163.400110.3Y133 R134 W139 V140 E141Y133-E137 WeakPolarHBondContact O-CG 3.13Å; Y133-E137 PolarHBondContact O-N 3.23Å; R134-E137 WeakPolarHBondContact O-CB 3.4Å; R134-E137 PolarHBondContact O-N 3.32Å; R134-E137 VanDerWaalsContact O-N 3.11Å; E137-W139 VanDerWaalsContact C-N 3.28Å; E137-W139 PolarHBondContact O-N 3.06Å; E137-V140 PolarHBondContact O-N 3.02Å; E137-E141 PolarHBondContact O-N 3.4Å
138D98.5Very high98.3Very high72 Ų72108.3 Ų108.339%0.38551%0.509SS..Hα-helixtrans-50.8-46.2175.3-59.3-34.2000110.6R134 E141 E142R134-D138 IonicContact NH2-OD1 3.18Å; R134-D138 IonicContact NH2-OD2 2.81Å; R134-D138 WeakPolarHBondContact O-CB 3.21Å; R134-D138 PolarHBondContact O-N 3.46Å; R134-D138 VanDerWaalsContact O-OD2 3.13Å; D138-E141 PolarHBondContact O-N 2.93Å; D138-E142 PolarHBondContact O-N 3.14Å
139W98.6Very high98.3Very high146 Ų146107 Ų10755%0.55351%0.511SS*.Hα-helixtrans-69.1-37.3178.4179.678.4000114M135 Q136 E137 E141 E142 E143M135-W139 VanDerWaalsContact O-CB 3.27Å; M135-W139 WeakPolarHBondContact O-CB 3.37Å; M135-W139 PolarHBondContact O-N 3.33Å; Q136-W139 PolarHBondContact O-N 2.98Å; E137-W139 VanDerWaalsContact C-N 3.28Å; E137-W139 PolarHBondContact O-N 3.06Å; W139-E141 VanDerWaalsContact C-N 3.35Å; W139-E142 PolarHBondContact O-N 3.05Å; W139-E143 HydrophobicContact CH2-CG 4.43Å; W139-E143 WeakPolarHBondContact O-CB 3.19Å; W139-E143 PolarHBondContact O-N 3.47Å
140V98.6Very high98.3Very high75 Ų75105.6 Ų105.646%0.45551%0.51SS..Hα-helixtrans-67.3-37.9176.2166.30000110.7Q136 E137 E143 C144Q136-V140 WeakPolarHBondContact O-CB 3.36Å; Q136-V140 VanDerWaalsContact O-CG2 3.28Å; Q136-V140 WeakPolarHBondContact O-CG2 3.47Å; Q136-V140 PolarHBondContact O-N 3.49Å; E137-V140 PolarHBondContact O-N 3.02Å; V140-E143 PolarHBondContact O-N 3.27Å; V140-C144 WeakPolarHBondContact O-CB 3.37Å; V140-C144 PolarHBondContact O-N 3.06Å
141E98.1Very high98.3Very high122 Ų122107.2 Ų107.257%0.5751%0.512SS*.Hα-helixtrans-65.7-45.5174.3-70.1-174.6-170.200111.6E137 D138 W139 E143 C144 H145E137-E141 PolarHBondContact O-N 3.4Å; D138-E141 PolarHBondContact O-N 2.93Å; W139-E141 VanDerWaalsContact C-N 3.35Å; E141-E143 VanDerWaalsContact C-N 3.33Å; E141-E143 PolarHBondContact O-N 3.22Å; E141-C144 PolarHBondContact O-N 3.35Å; E141-H145 PolarHBondContact O-N 2.94Å; E141-H145 PolarHBondContact O-ND1 3.07Å
142E97.6Very high98.3Very high136 Ų136104 Ų10464%0.63651%0.509SS*.Hα-helixtrans-59.6-40.4174-75.3-174.2177.900112.8D138 W139 R146D138-E142 PolarHBondContact O-N 3.14Å; W139-E142 PolarHBondContact O-N 3.05Å; E142-R146 WeakPolarHBondContact O-CB 3.25Å; E142-R146 PolarHBondContact O-N 2.92Å; E142-R146 VanDerWaalsContact O-N 3.17Å
143E97.4Very high98.2Very high52 Ų52102.5 Ų102.524%0.24350%0.501CS..Hα-helixtrans-65.3-42.2175.3-17464.8-136.800111.5W139 V140 E141 R146 V147W139-E143 HydrophobicContact CH2-CG 4.43Å; W139-E143 WeakPolarHBondContact O-CB 3.19Å; W139-E143 PolarHBondContact O-N 3.47Å; V140-E143 PolarHBondContact O-N 3.27Å; E141-E143 VanDerWaalsContact C-N 3.33Å; E141-E143 PolarHBondContact O-N 3.22Å; E143-R146 PolarHBondContact O-N 3.36Å; E143-R146 IonicContact OE1-CZ 3.1Å; E143-R146 IonicContact OE1-NH1 2.74Å; E143-R146 IonicContact OE1-NH2 2.69Å; E143-R146 PolarHBondContact OE1-NH2 2.8Å; E143-R146 IonicContact OE2-CZ 3.19Å; E143-R146 IonicContact OE2-NH1 2.66Å; E143-R146 PolarHBondContact OE2-NH1 2.99Å; E143-R146 IonicContact OE2-NH2 3.35Å; E143-R146 PolarHBondContact OE2-NH2 2.91Å; E143-V147 WeakPolarHBondContact O-CG2 3.43Å; E143-V147 PolarHBondContact O-N 3.4Å
144C98.3Very high98.2Very high62 Ų62101.6 Ų101.642%0.41950%0.5SS..Hα-helixtrans-61.5-54.2178.4-157.30000111.4V140 E141 R146 V147 E148V140-C144 WeakPolarHBondContact O-CB 3.37Å; V140-C144 PolarHBondContact O-N 3.06Å; E141-C144 PolarHBondContact O-N 3.35Å; C144-R146 PolarHBondContact O-N 2.99Å; C144-V147 PolarHBondContact O-N 3.36Å; C144-E148 WeakPolarHBondContact O-CG 3.33Å; C144-E148 PolarHBondContact O-N 3.02Å; C144-E148 PolarHBondContact SG-OE1 3.32Å
145H98.5Very high98.2Very high118 Ų11899.9 Ų99.955%0.54650%0.498SS..Hα-helixtrans-56.2-36.8177.2-66.6117000112.4E141 E148 A149E141-H145 PolarHBondContact O-N 2.94Å; E141-H145 PolarHBondContact O-ND1 3.07Å; H145-E148 IonicContact CD2-OE2 3.72Å; H145-A149 WeakPolarHBondContact O-CB 3.21Å; H145-A149 PolarHBondContact O-N 2.8Å
146R98.5Very high98.3Very high126 Ų12695.7 Ų95.748%0.47549%0.485SS..Hα-helixtrans-68.7-39.3177.3-164.9177.677.6-116.84.4112.4E142 E143 C144 Q150E142-R146 WeakPolarHBondContact O-CB 3.25Å; E142-R146 PolarHBondContact O-N 2.92Å; E142-R146 VanDerWaalsContact O-N 3.17Å; E143-R146 PolarHBondContact O-N 3.36Å; E143-R146 IonicContact OE1-CZ 3.1Å; E143-R146 IonicContact OE1-NH1 2.74Å; E143-R146 IonicContact OE1-NH2 2.69Å; E143-R146 PolarHBondContact OE1-NH2 2.8Å; E143-R146 IonicContact OE2-CZ 3.19Å; E143-R146 IonicContact OE2-NH1 2.66Å; E143-R146 PolarHBondContact OE2-NH1 2.99Å; E143-R146 IonicContact OE2-NH2 3.35Å; E143-R146 PolarHBondContact OE2-NH2 2.91Å; C144-R146 PolarHBondContact O-N 2.99Å; R146-Q150 WeakPolarHBondContact O-CG 3.36Å; R146-Q150 PolarHBondContact O-N 3.32Å; R146-Q150 VanDerWaalsContact O-N 3.17Å
147V98.6Very high98.2Very high75 Ų7597.8 Ų97.846%0.45549%0.488SS..Hα-helixtrans-71-41176.8171.60000111.2E143 C144 Q150 L151E143-V147 WeakPolarHBondContact O-CG2 3.43Å; E143-V147 PolarHBondContact O-N 3.4Å; C144-V147 PolarHBondContact O-N 3.36Å; V147-Q150 PolarHBondContact O-N 3.48Å; V147-L151 PolarHBondContact O-N 3.49Å
148E98.1Very high98.3Very high103 Ų10398.1 Ų98.148%0.48149%0.489SS..Hα-helixtrans-59.3-48.6174.5-73167.9-169.800111.7C144 H145 Q150 L151 A152C144-E148 WeakPolarHBondContact O-CG 3.33Å; C144-E148 PolarHBondContact O-N 3.02Å; C144-E148 PolarHBondContact SG-OE1 3.32Å; H145-E148 IonicContact CD2-OE2 3.72Å; E148-Q150 VanDerWaalsContact C-N 3.28Å; E148-Q150 PolarHBondContact O-N 3.34Å; E148-L151 WeakPolarHBondContact O-CB 3.3Å; E148-L151 PolarHBondContact O-N 2.91Å; E148-A152 PolarHBondContact O-N 3.13Å
149A98.1Very high98.2Very high62 Ų6299.7 Ų99.751%0.51249%0.494SS..Hα-helixtrans-60.4-36.8175.400000112.5H145 L153H145-A149 WeakPolarHBondContact O-CB 3.21Å; H145-A149 PolarHBondContact O-N 2.8Å; A149-L153 WeakPolarHBondContact O-CB 3.41Å; A149-L153 PolarHBondContact O-N 2.83Å; A149-L153 VanDerWaalsContact O-N 3.14Å
150Q98.2Very high98.2Very high102 Ų10298.1 Ų98.148%0.47750%0.496SS..Hα-helixtrans-70.6-28.3173.6-75.6-173.71300113.7R146 V147 E148 K154R146-Q150 WeakPolarHBondContact O-CG 3.36Å; R146-Q150 PolarHBondContact O-N 3.32Å; R146-Q150 VanDerWaalsContact O-N 3.17Å; V147-Q150 PolarHBondContact O-N 3.48Å; E148-Q150 VanDerWaalsContact C-N 3.28Å; E148-Q150 PolarHBondContact O-N 3.34Å; Q150-K154 WeakPolarHBondContact O-CD 3.29Å; Q150-K154 VanDerWaalsContact O-CG 3.29Å; Q150-K154 WeakPolarHBondContact O-CG 3.43Å; Q150-K154 PolarHBondContact O-N 3.47Å
151L98.3Very high98.1Very high112 Ų112101.1 Ų101.159%0.58651%0.505SS*.Hα-helixtrans-75-53.2176.8-177.560.7000110.5V147 E148 L153 K154 E155V147-L151 PolarHBondContact O-N 3.49Å; E148-L151 WeakPolarHBondContact O-CB 3.3Å; E148-L151 PolarHBondContact O-N 2.91Å; L151-L153 PolarHBondContact O-N 3.44Å; L151-K154 WeakPolarHBondContact O-CA 3.18Å; L151-K154 WeakPolarHBondContact O-CB 3.4Å; L151-K154 PolarHBondContact O-N 3.19Å; L151-E155 PolarHBondContact O-N 3.04Å
152A98.2Very high98.1Very high55 Ų55101 Ų10146%0.45550%0.504SS..Hα-helixtrans-57-37.9177.300000112.3E148 K154 E155 A156E148-A152 PolarHBondContact O-N 3.13Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.28Å; A152-E155 PolarHBondContact O-N 3.35Å; A152-A156 WeakPolarHBondContact O-CB 3.17Å; A152-A156 PolarHBondContact O-N 3.22Å
153L98.3Very high98.2Very high86 Ų86100 Ų10045%0.4550%0.502SS..Hα-helixtrans-68.8-26.7175.1176148.3000113.5A149 L151 R157A149-L153 WeakPolarHBondContact O-CB 3.41Å; A149-L153 PolarHBondContact O-N 2.83Å; A149-L153 VanDerWaalsContact O-N 3.14Å; L151-L153 PolarHBondContact O-N 3.44Å; L153-R157 WeakPolarHBondContact O-CB 3.38Å; L153-R157 VanDerWaalsContact O-CD 3.29Å; L153-R157 WeakPolarHBondContact O-CD 3.46Å; L153-R157 WeakPolarHBondContact O-CG 3.28Å; L153-R157 PolarHBondContact O-N 3.13Å
154K98.4Very high98.2Very high125 Ų125103.8 Ų103.854%0.54352%0.518SS..Hα-helixtrans-77.5-42.5171.5-73.1165.6-173.9166.80111.1Q150 L151 A152 R157 Q158Q150-K154 WeakPolarHBondContact O-CD 3.29Å; Q150-K154 VanDerWaalsContact O-CG 3.29Å; Q150-K154 WeakPolarHBondContact O-CG 3.43Å; Q150-K154 PolarHBondContact O-N 3.47Å; L151-K154 WeakPolarHBondContact O-CA 3.18Å; L151-K154 WeakPolarHBondContact O-CB 3.4Å; L151-K154 PolarHBondContact O-N 3.19Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.28Å; K154-R157 WeakPolarHBondContact O-CB 3.48Å; K154-R157 PolarHBondContact O-N 2.81Å; K154-Q158 PolarHBondContact O-N 3.05Å
155E98.2Very high98.1Very high117 Ų117107.2 Ų107.255%0.54753%0.528SS..Hα-helixtrans-60.4-53.4177.7-173.5164-142.800111.2L151 A152 R157 Q158 E159L151-E155 PolarHBondContact O-N 3.04Å; A152-E155 PolarHBondContact O-N 3.35Å; E155-R157 VanDerWaalsContact C-N 3.25Å; E155-R157 PolarHBondContact O-N 3.42Å; E155-Q158 CarbonylContact O-C 3.6Å; E155-Q158 WeakPolarHBondContact O-CA 3.37Å; E155-Q158 WeakPolarHBondContact O-CB 3.49Å; E155-Q158 PolarHBondContact O-N 3.3Å; E155-E159 PolarHBondContact O-N 3.14Å
156A98.1Very high98.1Very high43 Ų43104 Ų10436%0.35552%0.522SS..Hα-helixtrans-58.1-34.617500000113A152 I160A152-A156 WeakPolarHBondContact O-CB 3.17Å; A152-A156 PolarHBondContact O-N 3.22Å; A156-I160 WeakPolarHBondContact O-CB 3.36Å; A156-I160 WeakPolarHBondContact O-CD1 3.37Å; A156-I160 WeakPolarHBondContact O-CG1 3.49Å; A156-I160 PolarHBondContact O-N 3.16Å
157R98.3Very high98Very high154 Ų154101.9 Ų101.958%0.58152%0.523SS*.Hα-helixtrans-67.7-37.3172.8-78.5172.3178.5-176.5-0.3112.4L153 K154 E155 Q161L153-R157 WeakPolarHBondContact O-CB 3.38Å; L153-R157 VanDerWaalsContact O-CD 3.29Å; L153-R157 WeakPolarHBondContact O-CD 3.46Å; L153-R157 WeakPolarHBondContact O-CG 3.28Å; L153-R157 PolarHBondContact O-N 3.13Å; K154-R157 WeakPolarHBondContact O-CB 3.48Å; K154-R157 PolarHBondContact O-N 2.81Å; E155-R157 VanDerWaalsContact C-N 3.25Å; E155-R157 PolarHBondContact O-N 3.42Å; R157-Q161 VanDerWaalsContact O-CG 3.28Å; R157-Q161 WeakPolarHBondContact O-CG 3.41Å; R157-Q161 PolarHBondContact O-N 3.09Å
158Q98.4Very high97.9Very high117 Ų117100.8 Ų100.855%0.54751%0.514SS..Hα-helixtrans-69.3-40.8175.8-174.1178.7-23.400111.1K154 E155 Q161 Q162K154-Q158 PolarHBondContact O-N 3.05Å; E155-Q158 CarbonylContact O-C 3.6Å; E155-Q158 WeakPolarHBondContact O-CA 3.37Å; E155-Q158 WeakPolarHBondContact O-CB 3.49Å; E155-Q158 PolarHBondContact O-N 3.3Å; Q158-Q161 PolarHBondContact O-N 3.1Å; Q158-Q162 WeakPolarHBondContact O-CG 3.18Å; Q158-Q162 PolarHBondContact O-N 3.49Å
159E97.6Very high97.7Very high106 Ų10698.5 Ų98.550%0.49551%0.507SS..Hα-helixtrans-60.8-48.2172.2-69.3-175.6170.200111.9E155 Q161 Q162 L163E155-E159 PolarHBondContact O-N 3.14Å; E159-Q161 PolarHBondContact O-N 3.11Å; E159-Q162 PolarHBondContact O-N 3.48Å; E159-Q162 VanDerWaalsContact O-N 3.09Å; E159-L163 WeakPolarHBondContact O-CB 3.29Å; E159-L163 WeakPolarHBondContact O-CG 3.35Å; E159-L163 PolarHBondContact O-N 3Å
160I97.7Very high97.5Very high113 Ų11399.7 Ų99.758%0.57951%0.508SS*.Hα-helixtrans-58.7-36.4176.1-71.3164.6000111.1A156 K164A156-I160 WeakPolarHBondContact O-CB 3.36Å; A156-I160 WeakPolarHBondContact O-CD1 3.37Å; A156-I160 WeakPolarHBondContact O-CG1 3.49Å; A156-I160 PolarHBondContact O-N 3.16Å; I160-K164 WeakPolarHBondContact O-CB 3.47Å; I160-K164 PolarHBondContact O-N 2.8Å
161Q98.1Very high97.2Very high138 Ų138101.4 Ų101.465%0.64551%0.51SS*.Hα-helixtrans-69.5-40.8174.3-74.4173.49.800112.8R157 Q158 E159 K164 H165R157-Q161 VanDerWaalsContact O-CG 3.28Å; R157-Q161 WeakPolarHBondContact O-CG 3.41Å; R157-Q161 PolarHBondContact O-N 3.09Å; Q158-Q161 PolarHBondContact O-N 3.1Å; E159-Q161 PolarHBondContact O-N 3.11Å; Q161-K164 PolarHBondContact O-N 3.23Å; Q161-H165 WeakPolarHBondContact O-CB 3.36Å; Q161-H165 PolarHBondContact O-N 3.29Å
162Q98Very high96.8Very high118 Ų11899.7 Ų99.755%0.55150%0.504SS*.Hα-helixtrans-63.7-47.5174.5-71.117647.100111.6Q158 E159 K164 H165 A166Q158-Q162 WeakPolarHBondContact O-CG 3.18Å; Q158-Q162 PolarHBondContact O-N 3.49Å; E159-Q162 PolarHBondContact O-N 3.48Å; E159-Q162 VanDerWaalsContact O-N 3.09Å; Q162-K164 PolarHBondContact O-N 3.1Å; Q162-H165 PolarHBondContact O-N 3.25Å; Q162-A166 WeakPolarHBondContact O-CB 3.41Å; Q162-A166 PolarHBondContact O-N 3.15Å
163L98.3Very high96.3Very high115 Ų115105.5 Ų105.560%0.60251%0.514SS*.Hα-helixtrans-60.9-43.2176.1-70.9170.1000111.3E159 A166 V167E159-L163 WeakPolarHBondContact O-CB 3.29Å; E159-L163 WeakPolarHBondContact O-CG 3.35Å; E159-L163 PolarHBondContact O-N 3Å; L163-A166 PolarHBondContact O-N 3.32Å; L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 3.19Å
164K97.6Very high95.5Very high133 Ų133107 Ų10758%0.57852%0.522SS*.Hα-helixtrans-60.5-47.3173.6-179.3177.2175.8-175.30111.5I160 Q161 Q162 A166 V167 D168I160-K164 WeakPolarHBondContact O-CB 3.47Å; I160-K164 PolarHBondContact O-N 2.8Å; Q161-K164 PolarHBondContact O-N 3.23Å; Q162-K164 PolarHBondContact O-N 3.1Å; K164-A166 VanDerWaalsContact C-N 3.31Å; K164-A166 PolarHBondContact O-N 2.9Å; K164-V167 PolarHBondContact O-N 2.96Å; K164-D168 WeakPolarHBondContact CE-OD2 3.37Å; K164-D168 WeakPolarHBondContact CG-OD2 3.3Å; K164-D168 WeakPolarHBondContact O-CB 3.42Å; K164-D168 VanDerWaalsContact O-CG 3.29Å; K164-D168 PolarHBondContact O-N 2.97Å
165H97.6Very high94.6Very high134 Ų134104.3 Ų104.362%0.6252%0.519SS*.Hα-helixtrans-60.5-40.2177.4179.5-85.8000111.9Q161 Q162 T169Q161-H165 WeakPolarHBondContact O-CB 3.36Å; Q161-H165 PolarHBondContact O-N 3.29Å; Q162-H165 PolarHBondContact O-N 3.25Å; H165-T169 PolarHBondContact CE1-OG1 3.46Å; H165-T169 VanDerWaalsContact O-CB 3.3Å; H165-T169 WeakPolarHBondContact O-CB 3.36Å; H165-T169 PolarHBondContact O-N 3.46Å; H165-T169 PolarHBondContact O-OG1 2.9Å
166A97.2Very high93.3Very high51 Ų51104.4 Ų104.442%0.42152%0.523SS..Hα-helixtrans-63.8-45.7175.100000112Q162 L163 K164 T169 V170Q162-A166 WeakPolarHBondContact O-CB 3.41Å; Q162-A166 PolarHBondContact O-N 3.15Å; L163-A166 PolarHBondContact O-N 3.32Å; K164-A166 VanDerWaalsContact C-N 3.31Å; K164-A166 PolarHBondContact O-N 2.9Å; A166-T169 PolarHBondContact O-N 2.72Å; A166-V170 WeakPolarHBondContact O-CG2 3.36Å; A166-V170 PolarHBondContact O-N 2.9Å
167V96.8Very high91.8Very high81 Ų81105.5 Ų105.549%0.49153%0.532SS..Hα-helixtrans-63.8-43.3175.8168.40000111.8L163 K164 T169 V170 R171L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 3.19Å; K164-V167 PolarHBondContact O-N 2.96Å; V167-T169 VanDerWaalsContact C-N 3.32Å; V167-T169 PolarHBondContact O-N 3.01Å; V167-V170 PolarHBondContact O-N 3.26Å; V167-R171 WeakPolarHBondContact O-CB 3.42Å; V167-R171 PolarHBondContact O-N 3.4Å
168D96.1Very high90Very high52 Ų52100 Ų10028%0.27852%0.524SS..Hα-helixtrans-66.9-34.7177.6-69.9-18.5000110.9K164 R171 T172K164-D168 WeakPolarHBondContact CE-OD2 3.37Å; K164-D168 WeakPolarHBondContact CG-OD2 3.3Å; K164-D168 WeakPolarHBondContact O-CB 3.42Å; K164-D168 VanDerWaalsContact O-CG 3.29Å; K164-D168 PolarHBondContact O-N 2.97Å; D168-R171 PolarHBondContact O-N 3.32Å; D168-R171 IonicContact OD1-CZ 3.59Å; D168-R171 IonicContact OD1-NH1 2.65Å; D168-R171 PolarHBondContact OD1-NH1 3.25Å; D168-R171 IonicContact OD1-NH2 3.83Å; D168-T172 PolarHBondContact O-N 3.48Å; D168-T172 PolarHBondContact O-OG1 2.86Å
169T95.1Very high88Confident55 Ų5597.3 Ų97.334%0.33753%0.527SS..Hα-helixtrans-67.1-43.7172.1-58.70000112.1H165 A166 V167 R171 T172 R173H165-T169 PolarHBondContact CE1-OG1 3.46Å; H165-T169 VanDerWaalsContact O-CB 3.3Å; H165-T169 WeakPolarHBondContact O-CB 3.36Å; H165-T169 PolarHBondContact O-N 3.46Å; H165-T169 PolarHBondContact O-OG1 2.9Å; A166-T169 PolarHBondContact O-N 2.72Å; V167-T169 VanDerWaalsContact C-N 3.32Å; V167-T169 PolarHBondContact O-N 3.01Å; T169-R171 VanDerWaalsContact C-N 3.29Å; T169-R171 PolarHBondContact O-N 2.88Å; T169-T172 PolarHBondContact O-N 2.9Å; T169-T172 PolarHBondContact O-OG1 3.48Å; T169-R173 WeakPolarHBondContact O-CG 3.41Å; T169-R173 PolarHBondContact O-N 3.43Å
170V93.8Very high85.9Confident86 Ų86101 Ų10152%0.52155%0.549SS..Hα-helixtrans-64.4-38.1174171.90000110.2A166 V167 R173 L174A166-V170 WeakPolarHBondContact O-CG2 3.36Å; A166-V170 PolarHBondContact O-N 2.9Å; V167-V170 PolarHBondContact O-N 3.26Å; V170-R173 PolarHBondContact O-N 3.41Å; V170-L174 HydrophobicContact CG1-CD1 3.81Å; V170-L174 HydrophobicContact CG1-CG 4.3Å; V170-L174 WeakPolarHBondContact O-CB 3.36Å; V170-L174 VanDerWaalsContact O-CG 3.29Å; V170-L174 WeakPolarHBondContact O-CG 3.48Å; V170-L174 PolarHBondContact O-N 2.87Å
171R92.1Very high83.8Confident139 Ų13997.8 Ų97.853%0.52554%0.537SS..Hα-helixtrans-63.4-44175.4-170.4-176.4-60.8118.18.6112.1V167 D168 T169 L174 S175V167-R171 WeakPolarHBondContact O-CB 3.42Å; V167-R171 PolarHBondContact O-N 3.4Å; D168-R171 PolarHBondContact O-N 3.32Å; D168-R171 IonicContact OD1-CZ 3.59Å; D168-R171 IonicContact OD1-NH1 2.65Å; D168-R171 PolarHBondContact OD1-NH1 3.25Å; D168-R171 IonicContact OD1-NH2 3.83Å; T169-R171 VanDerWaalsContact C-N 3.29Å; T169-R171 PolarHBondContact O-N 2.88Å; R171-L174 PolarHBondContact O-N 3.23Å; R171-S175 WeakPolarHBondContact O-CB 3.44Å; R171-S175 PolarHBondContact O-N 2.92Å; R171-S175 PolarHBondContact O-OG 3.2Å
172T89.5Confident81.9Confident75 Ų7594 Ų9446%0.4654%0.535SS..Hα-helixtrans-65.3-44.7176.851.90000111.2D168 T169 L174 S175 D176D168-T172 PolarHBondContact O-N 3.48Å; D168-T172 PolarHBondContact O-OG1 2.86Å; T169-T172 PolarHBondContact O-N 2.9Å; T169-T172 PolarHBondContact O-OG1 3.48Å; T172-L174 VanDerWaalsContact C-N 3.32Å; T172-L174 PolarHBondContact O-N 2.89Å; T172-S175 CarbonylContact O-C 3.56Å; T172-S175 PolarHBondContact O-N 3.32Å; T172-D176 VanDerWaalsContact O-CG 3.29Å; T172-D176 PolarHBondContact O-N 3.26Å
173R87.9Confident80.4Confident177 Ų17792.6 Ų92.667%0.66853%0.532SS*.Hα-helixtrans-57.8-40.8174.2-66.2-58.9-174.2-162.31.8113.2T169 V170 S175 A177T169-R173 WeakPolarHBondContact O-CG 3.41Å; T169-R173 PolarHBondContact O-N 3.43Å; V170-R173 PolarHBondContact O-N 3.41Å; R173-S175 VanDerWaalsContact C-N 3.34Å; R173-A177 WeakPolarHBondContact O-CB 3.24Å; R173-A177 PolarHBondContact O-N 2.93Å; R173-A177 VanDerWaalsContact O-N 3.1Å
174L80.8Confident79Confident119 Ų11991.8 Ų91.862%0.62353%0.531SS*.Hα-helixtrans-72.8-24.7174.9-70.7173.4000113.3V170 R171 T172 G178V170-L174 HydrophobicContact CG1-CD1 3.81Å; V170-L174 HydrophobicContact CG1-CG 4.3Å; V170-L174 WeakPolarHBondContact O-CB 3.36Å; V170-L174 VanDerWaalsContact O-CG 3.29Å; V170-L174 WeakPolarHBondContact O-CG 3.48Å; V170-L174 PolarHBondContact O-N 2.87Å; R171-L174 PolarHBondContact O-N 3.23Å; T172-L174 VanDerWaalsContact C-N 3.32Å; T172-L174 PolarHBondContact O-N 2.89Å; L174-G178 VanDerWaalsContact O-CA 3.28Å; L174-G178 WeakPolarHBondContact O-CA 3.45Å; L174-G178 PolarHBondContact O-N 3.44Å
175S79.1Confident77.5Confident68 Ų6886.6 Ų86.648%0.47652%0.515SS..Hα-helixtrans-80.7-41.2176.4-55.70000111.5R171 T172 R173 A177 G178 G179R171-S175 WeakPolarHBondContact O-CB 3.44Å; R171-S175 PolarHBondContact O-N 2.92Å; R171-S175 PolarHBondContact O-OG 3.2Å; T172-S175 CarbonylContact O-C 3.56Å; T172-S175 PolarHBondContact O-N 3.32Å; R173-S175 VanDerWaalsContact C-N 3.34Å; S175-A177 VanDerWaalsContact C-N 3.35Å; S175-G178 PolarHBondContact O-N 2.95Å; S175-G179 PolarHBondContact O-N 3.06Å
176D72.3Confident76.5Confident119 Ų11983.8 Ų83.864%0.63651%0.507SS*.Hα-helixtrans-61.6-43.1173.2-66.4-19.3000110.7T172T172-D176 VanDerWaalsContact O-CG 3.29Å; T172-D176 PolarHBondContact O-N 3.26Å
177A66.6Low75.7Confident66 Ų6687.3 Ų87.355%0.54552%0.515SS..Hα-helixtrans-72.3-39.917400000112.6R173 S175R173-A177 WeakPolarHBondContact O-CB 3.24Å; R173-A177 PolarHBondContact O-N 2.93Å; R173-A177 VanDerWaalsContact O-N 3.1Å; S175-A177 VanDerWaalsContact C-N 3.35Å
178G60.3Low75.1Confident39 Ų3989.4 Ų89.440%0.40252%0.518SS..Hα-helixtrans-81.8-9.1-173.800000115.6L174 S175 L180L174-G178 VanDerWaalsContact O-CA 3.28Å; L174-G178 WeakPolarHBondContact O-CA 3.45Å; L174-G178 PolarHBondContact O-N 3.44Å; S175-G178 PolarHBondContact O-N 2.95Å; G178-L180 PolarHBondContact O-N 3.09Å; G178-L180 VanDerWaalsContact O-N 3.09Å
179G55.1Low74.5Confident60 Ų6094.6 Ų94.662%0.61953%0.534SS*.THydrogen-bonded Turntrans-59.3-24.5-173.600000115.4S175S175-G179 PolarHBondContact O-N 3.06Å
180L54Low74.1Confident182 Ų18298.6 Ų98.695%0.95355%0.547SS*.THydrogen-bonded Turntrans-139.4-3.7172.8-75.3174.3000114.2G178G178-L180 PolarHBondContact O-N 3.09Å; G178-L180 VanDerWaalsContact O-N 3.09Å
181S54.1Low73.8Confident46 Ų46100.9 Ų100.932%0.32255%0.552SS.*  trans-152.592.6-173.3167.10000111.9D183 V184S181-D183 PolarHBondContact O-N 3.28Å; S181-V184 PolarHBondContact OG-N 3.27Å
182G58.2Low73.8Confident59 Ų5997.6 Ų97.661%0.60855%0.545SS*.SBendtrans-68.387.7152.700000108.5
183D66.5Low74Confident89 Ų8998.2 Ų98.248%0.47655%0.545SS..  trans9.2103.8-165.3-18032.8000116.2S181 G185 V186 Q187S181-D183 PolarHBondContact O-N 3.28Å; D183-G185 CarbonylContact O-C 3.59Å; D183-G185 PolarHBondContact O-N 2.86Å; D183-G185 WeakPolarHBondContact OD1-CA 3.45Å; D183-G185 PolarHBondContact OD1-N 3.16Å; D183-G185 WeakPolarHBondContact OD2-CA 3.36Å; D183-V186 HydrophobicContact CB-CB 4.19Å; D183-V186 HydrophobicContact CB-CG2 4.41Å; D183-V186 PolarHBondContact O-N 2.82Å; D183-V186 WeakPolarHBondContact OD2-CG2 3.27Å; D183-V186 PolarHBondContact OD2-N 2.87Å; D183-Q187 PolarHBondContact O-N 2.95Å
184V67.5Low74.1Confident98 Ų9895 Ų9559%0.59454%0.541SS*.Hα-helixtrans-51.6-28172.6176.20000112.3S181 K188S181-V184 PolarHBondContact OG-N 3.27Å; V184-K188 WeakPolarHBondContact O-CB 3.37Å; V184-K188 PolarHBondContact O-N 3.03Å
185G67.6Low74.7Confident24 Ų2492.4 Ų92.425%0.24753%0.53CS..Hα-helixtrans-59.9-67168.600000112.4D183 Q187 K188 Y189D183-G185 CarbonylContact O-C 3.59Å; D183-G185 PolarHBondContact O-N 2.86Å; D183-G185 WeakPolarHBondContact OD1-CA 3.45Å; D183-G185 PolarHBondContact OD1-N 3.16Å; D183-G185 WeakPolarHBondContact OD2-CA 3.36Å; G185-Q187 VanDerWaalsContact C-N 3.33Å; G185-Q187 PolarHBondContact O-N 3.46Å; G185-K188 WeakPolarHBondContact O-CB 3.42Å; G185-K188 PolarHBondContact O-N 3.39Å; G185-K188 VanDerWaalsContact O-N 3.13Å; G185-Y189 WeakPolarHBondContact O-CD2 3.35Å; G185-Y189 PolarHBondContact O-N 3.14Å
186V76.3Confident75.5Confident74 Ų7495 Ų9545%0.44854%0.535SS..Hα-helixtrans-52.3-45.8176.1166.40000112.4D183 K188 Y189 F190D183-V186 HydrophobicContact CB-CB 4.19Å; D183-V186 HydrophobicContact CB-CG2 4.41Å; D183-V186 PolarHBondContact O-N 2.82Å; D183-V186 WeakPolarHBondContact OD2-CG2 3.27Å; D183-V186 PolarHBondContact OD2-N 2.87Å; V186-K188 VanDerWaalsContact C-N 3.32Å; V186-K188 PolarHBondContact O-N 2.91Å; V186-Y189 PolarHBondContact O-N 2.92Å; V186-Y189 VanDerWaalsContact O-N 3.17Å; V186-F190 HydrophobicContact CG1-CD2 3.95Å; V186-F190 HydrophobicContact CG1-CE2 3.94Å; V186-F190 WeakPolarHBondContact O-CD2 3.36Å; V186-F190 PolarHBondContact O-N 3.39Å
187Q79.7Confident76.4Confident125 Ų12592.9 Ų92.958%0.58452%0.523SS*.Hα-helixtrans-63.6-38.6179.5-172.1171.51.300111.9D183 G185 F190 Q191D183-Q187 PolarHBondContact O-N 2.95Å; G185-Q187 VanDerWaalsContact C-N 3.33Å; G185-Q187 PolarHBondContact O-N 3.46Å; Q187-F190 PolarHBondContact O-N 3.25Å; Q187-Q191 PolarHBondContact O-N 2.94Å
188K83.8Confident77.7Confident126 Ų12695 Ų9555%0.54852%0.522SS..Hα-helixtrans-63.3-44.4172.1179.6-174.6171.5-170.80111.7V184 G185 V186 F190 Q191 D192V184-K188 WeakPolarHBondContact O-CB 3.37Å; V184-K188 PolarHBondContact O-N 3.03Å; G185-K188 WeakPolarHBondContact O-CB 3.42Å; G185-K188 PolarHBondContact O-N 3.39Å; G185-K188 VanDerWaalsContact O-N 3.13Å; V186-K188 VanDerWaalsContact C-N 3.32Å; V186-K188 PolarHBondContact O-N 2.91Å; K188-F190 VanDerWaalsContact C-N 3.32Å; K188-F190 PolarHBondContact O-N 3.17Å; K188-Q191 PolarHBondContact O-N 3.33Å; K188-D192 WeakPolarHBondContact CE-OD2 3.35Å; K188-D192 PolarHBondContact O-N 3.21Å
189Y83.5Confident79.4Confident160 Ų16099.7 Ų99.763%0.62753%0.531SS*.Hα-helixtrans-59.2-41.3178.2-72.8-62.8000112.2G185 V186 Q191 D192 I193G185-Y189 WeakPolarHBondContact O-CD2 3.35Å; G185-Y189 PolarHBondContact O-N 3.14Å; V186-Y189 PolarHBondContact O-N 2.92Å; V186-Y189 VanDerWaalsContact O-N 3.17Å; Y189-Q191 VanDerWaalsContact C-N 3.32Å; Y189-Q191 PolarHBondContact O-N 2.92Å; Y189-D192 PolarHBondContact O-N 2.98Å; Y189-I193 WeakPolarHBondContact O-CB 3.24Å; Y189-I193 WeakPolarHBondContact O-CD1 3.43Å; Y189-I193 WeakPolarHBondContact O-CG1 3.32Å; Y189-I193 PolarHBondContact O-N 2.91Å
190F86.6Confident81.3Confident139 Ų139101.9 Ų101.961%0.6153%0.528SS*.Hα-helixtrans-59.9-40.1172.3-89.3-77.1000112.8V186 Q187 K188 N194V186-F190 HydrophobicContact CG1-CD2 3.95Å; V186-F190 HydrophobicContact CG1-CE2 3.94Å; V186-F190 WeakPolarHBondContact O-CD2 3.36Å; V186-F190 PolarHBondContact O-N 3.39Å; Q187-F190 PolarHBondContact O-N 3.25Å; K188-F190 VanDerWaalsContact C-N 3.32Å; K188-F190 PolarHBondContact O-N 3.17Å; F190-N194 PolarHBondContact O-N 2.89Å
191Q87.8Confident83.1Confident135 Ų13598.5 Ų98.563%0.63151%0.507SS*.Hα-helixtrans-72.9-38.1-179.9-167145.652.300112.7Q187 K188 Y189 T195Q187-Q191 PolarHBondContact O-N 2.94Å; K188-Q191 PolarHBondContact O-N 3.33Å; Y189-Q191 VanDerWaalsContact C-N 3.32Å; Y189-Q191 PolarHBondContact O-N 2.92Å; Q191-T195 WeakPolarHBondContact O-CB 3.4Å; Q191-T195 PolarHBondContact O-N 3.32Å; Q191-T195 PolarHBondContact O-OG1 2.96Å
192D92.5Very high85Confident69 Ų6999.6 Ų99.637%0.36951%0.51SS..Hα-helixtrans-65.4-41.8172.7-78.2-28.3000111.2K188 Y189 T195 Q196K188-D192 WeakPolarHBondContact CE-OD2 3.35Å; K188-D192 PolarHBondContact O-N 3.21Å; Y189-D192 PolarHBondContact O-N 2.98Å; D192-T195 PolarHBondContact O-N 3.49Å; D192-Q196 WeakPolarHBondContact O-CG 3.35Å; D192-Q196 PolarHBondContact O-N 3.47Å
193I93.1Very high86.7Confident89 Ų89102.6 Ų102.646%0.45651%0.511SS..Hα-helixtrans-63.1-49176.5-71.7164.7000111.4Y189 T195 Q196 N197Y189-I193 WeakPolarHBondContact O-CB 3.24Å; Y189-I193 WeakPolarHBondContact O-CD1 3.43Å; Y189-I193 WeakPolarHBondContact O-CG1 3.32Å; Y189-I193 PolarHBondContact O-N 2.91Å; I193-T195 VanDerWaalsContact C-N 3.26Å; I193-T195 PolarHBondContact O-N 3.1Å; I193-Q196 PolarHBondContact O-N 3.38Å; I193-N197 PolarHBondContact O-N 2.78Å
194N90.6Very high88Confident109 Ų109103.4 Ų103.458%0.58352%0.515SS*.Hα-helixtrans-60.6-37.4175.3-88.9-12.5000112F190 Q196 N197 H198F190-N194 PolarHBondContact O-N 2.89Å; N194-Q196 VanDerWaalsContact C-N 3.29Å; N194-Q196 PolarHBondContact O-N 3.28Å; N194-N197 PolarHBondContact O-N 3.26Å; N194-H198 PolarHBondContact O-N 2.74Å
195T94.1Very high89.1Confident65 Ų65102.8 Ų102.840%0.39951%0.508SS..Hα-helixtrans-66.9-29.2175.7-57.80000112.5Q191 D192 I193 K199Q191-T195 WeakPolarHBondContact O-CB 3.4Å; Q191-T195 PolarHBondContact O-N 3.32Å; Q191-T195 PolarHBondContact O-OG1 2.96Å; D192-T195 PolarHBondContact O-N 3.49Å; I193-T195 VanDerWaalsContact C-N 3.26Å; I193-T195 PolarHBondContact O-N 3.1Å; T195-K199 WeakPolarHBondContact O-CD 3.28Å; T195-K199 VanDerWaalsContact O-CG 3.27Å; T195-K199 WeakPolarHBondContact O-CG 3.37Å
196Q94.8Very high90.1Very high123 Ų123106.3 Ų106.358%0.57552%0.521SS*.Hα-helixtrans-77.7-44.4172.6-71.6-177.525.700112.1D192 I193 N194 H198 K199 L200D192-Q196 WeakPolarHBondContact O-CG 3.35Å; D192-Q196 PolarHBondContact O-N 3.47Å; I193-Q196 PolarHBondContact O-N 3.38Å; N194-Q196 VanDerWaalsContact C-N 3.29Å; N194-Q196 PolarHBondContact O-N 3.28Å; Q196-H198 VanDerWaalsContact C-N 3.32Å; Q196-H198 PolarHBondContact O-N 2.97Å; Q196-K199 WeakPolarHBondContact O-CB 3.26Å; Q196-K199 PolarHBondContact O-N 3.03Å; Q196-L200 WeakPolarHBondContact O-CG 3.46Å; Q196-L200 PolarHBondContact O-N 3.33Å
197N91.3Very high90.6Very high73 Ų73108.2 Ų108.239%0.3953%0.526SS..Hα-helixtrans-55.4-46.9175.2-75.3-11.9000111.3I193 N194 K199 L200 E201I193-N197 PolarHBondContact O-N 2.78Å; N194-N197 PolarHBondContact O-N 3.26Å; N197-K199 VanDerWaalsContact C-N 3.26Å; N197-K199 PolarHBondContact O-N 2.69Å; N197-L200 CarbonylContact O-C 3.6Å; N197-L200 WeakPolarHBondContact O-CA 3.34Å; N197-L200 WeakPolarHBondContact O-CB 3.48Å; N197-L200 PolarHBondContact O-N 2.66Å; N197-E201 WeakPolarHBondContact O-CG 3.37Å; N197-E201 PolarHBondContact O-N 3.17Å
198H95.1Very high90.9Very high112 Ų112107.8 Ų107.852%0.51952%0.524SS..Hα-helixtrans-66.9-25179.4-164.254.4000114.1N194 Q196 E201 N202N194-H198 PolarHBondContact O-N 2.74Å; Q196-H198 VanDerWaalsContact C-N 3.32Å; Q196-H198 PolarHBondContact O-N 2.97Å; H198-E201 WeakPolarHBondContact CA-OE2 3.43Å; H198-E201 IonicContact CE1-OE2 3.78Å; H198-E201 IonicContact CG-OE2 3.72Å; H198-E201 IonicContact ND1-OE2 2.8Å; H198-E201 PolarHBondContact ND1-OE2 3.45Å; H198-N202 PolarHBondContact CE1-ND2 3.42Å; H198-N202 PolarHBondContact NE2-ND2 3.04Å; H198-N202 WeakPolarHBondContact O-CB 3.49Å; H198-N202 PolarHBondContact O-N 2.8Å; H198-N202 VanDerWaalsContact O-N 3.11Å; H198-N202 PolarHBondContact O-ND2 3.03Å
199K95.8Very high91Very high137 Ų137106.9 Ų106.960%0.59652%0.524SS*.Hα-helixtrans-74.1-36.6170.1-71.6167.9-174.3173.50111.9T195 Q196 N197 L203T195-K199 WeakPolarHBondContact O-CD 3.28Å; T195-K199 VanDerWaalsContact O-CG 3.27Å; T195-K199 WeakPolarHBondContact O-CG 3.37Å; Q196-K199 WeakPolarHBondContact O-CB 3.26Å; Q196-K199 PolarHBondContact O-N 3.03Å; N197-K199 VanDerWaalsContact C-N 3.26Å; N197-K199 PolarHBondContact O-N 2.69Å; K199-L203 VanDerWaalsContact O-CB 3.32Å; K199-L203 WeakPolarHBondContact O-CB 3.37Å; K199-L203 PolarHBondContact O-N 3.2Å
200L94.8Very high90.9Very high105 Ų105102.1 Ų102.155%0.5552%0.518SS..Hα-helixtrans-68.6-42174.6-67.5170.5000111.4Q196 N197 L203 L204Q196-L200 WeakPolarHBondContact O-CG 3.46Å; Q196-L200 PolarHBondContact O-N 3.33Å; N197-L200 CarbonylContact O-C 3.6Å; N197-L200 WeakPolarHBondContact O-CA 3.34Å; N197-L200 WeakPolarHBondContact O-CB 3.48Å; N197-L200 PolarHBondContact O-N 2.66Å; L200-L203 PolarHBondContact O-N 3.41Å; L200-L204 VanDerWaalsContact O-CB 3.28Å; L200-L204 WeakPolarHBondContact O-CB 3.27Å; L200-L204 PolarHBondContact O-N 3.41Å
201E92.7Very high90.2Very high112 Ų112101.7 Ų101.752%0.52352%0.518SS..Hα-helixtrans-56.3-49.8171-71.2165.1-175.600111.3N197 H198 L203 L204 L205N197-E201 WeakPolarHBondContact O-CG 3.37Å; N197-E201 PolarHBondContact O-N 3.17Å; H198-E201 WeakPolarHBondContact CA-OE2 3.43Å; H198-E201 IonicContact CE1-OE2 3.78Å; H198-E201 IonicContact CG-OE2 3.72Å; H198-E201 IonicContact ND1-OE2 2.8Å; H198-E201 PolarHBondContact ND1-OE2 3.45Å; E201-L203 PolarHBondContact O-N 3.01Å; E201-L204 PolarHBondContact O-N 3.01Å; E201-L205 WeakPolarHBondContact O-CB 3.36Å; E201-L205 PolarHBondContact O-N 2.87Å
202N92.9Very high89.4Confident69 Ų6998 Ų9837%0.36951%0.51SS..Hα-helixtrans-62.2-42175.7-90.6-90.2000112.3H198 L205 N206H198-N202 PolarHBondContact CE1-ND2 3.42Å; H198-N202 PolarHBondContact NE2-ND2 3.04Å; H198-N202 WeakPolarHBondContact O-CB 3.49Å; H198-N202 PolarHBondContact O-N 2.8Å; H198-N202 VanDerWaalsContact O-N 3.11Å; H198-N202 PolarHBondContact O-ND2 3.03Å; N202-L205 PolarHBondContact O-N 3.45Å; N202-N206 WeakPolarHBondContact O-CB 3.45Å; N202-N206 PolarHBondContact O-N 3.28Å; N202-N206 PolarHBondContact O-ND2 3.41Å
203L94.5Very high87.9Confident121 Ų12196.7 Ų96.763%0.63451%0.514SS*.Hα-helixtrans-64.4-41.9178.8-176.764.4000111.4K199 L200 E201 N206 M207K199-L203 VanDerWaalsContact O-CB 3.32Å; K199-L203 WeakPolarHBondContact O-CB 3.37Å; K199-L203 PolarHBondContact O-N 3.2Å; L200-L203 PolarHBondContact O-N 3.41Å; E201-L203 PolarHBondContact O-N 3.01Å; L203-N206 PolarHBondContact O-N 2.82Å; L203-M207 WeakPolarHBondContact O-CB 3.43Å; L203-M207 PolarHBondContact O-N 2.85Å
204L92.8Very high86.2Confident107 Ų10798 Ų9856%0.5652%0.521SS*.Hα-helixtrans-66.2-44.1177.6-173.7141.8000111.5L200 E201 N206 M207 E208L200-L204 VanDerWaalsContact O-CB 3.28Å; L200-L204 WeakPolarHBondContact O-CB 3.27Å; L200-L204 PolarHBondContact O-N 3.41Å; E201-L204 PolarHBondContact O-N 3.01Å; L204-N206 PolarHBondContact O-N 2.93Å; L204-M207 WeakPolarHBondContact O-CB 3.47Å; L204-M207 PolarHBondContact O-N 3.38Å; L204-E208 WeakPolarHBondContact O-CB 3.5Å; L204-E208 PolarHBondContact O-N 2.94Å
205L90.5Very high84.4Confident85 Ų8596 Ų9645%0.44552%0.52SS..Hα-helixtrans-60.9-43.3174.2-179.964.9000112.1E201 N202 M207 E208 I209E201-L205 WeakPolarHBondContact O-CB 3.36Å; E201-L205 PolarHBondContact O-N 2.87Å; N202-L205 PolarHBondContact O-N 3.45Å; L205-M207 VanDerWaalsContact C-N 3.33Å; L205-M207 PolarHBondContact O-N 3.28Å; L205-E208 PolarHBondContact O-N 3.45Å; L205-I209 HydrophobicContact CD1-CD1 4.24Å; L205-I209 HydrophobicContact CG-CD1 4.05Å; L205-I209 WeakPolarHBondContact O-CD1 3.25Å; L205-I209 VanDerWaalsContact O-CG1 3.25Å; L205-I209 WeakPolarHBondContact O-CG1 3.24Å; L205-I209 PolarHBondContact O-N 3.17Å
206N89.8Confident82.4Confident97 Ų9799.3 Ų99.352%0.51954%0.535SS..Hα-helixtrans-65.7-36.1175.9-80-74.2000112.1N202 L203 L204 A210N202-N206 WeakPolarHBondContact O-CB 3.45Å; N202-N206 PolarHBondContact O-N 3.28Å; N202-N206 PolarHBondContact O-ND2 3.41Å; L203-N206 PolarHBondContact O-N 2.82Å; L204-N206 PolarHBondContact O-N 2.93Å; N206-A210 WeakPolarHBondContact O-CB 3.5Å; N206-A210 PolarHBondContact O-N 3.48Å
207M85.9Confident80.3Confident115 Ų115102.8 Ų102.857%0.56754%0.543SS*.Hα-helixtrans-67.6-42.3174.4-175.5178.269.600111.9L203 L204 L205 A210 Q211L203-M207 WeakPolarHBondContact O-CB 3.43Å; L203-M207 PolarHBondContact O-N 2.85Å; L204-M207 WeakPolarHBondContact O-CB 3.47Å; L204-M207 PolarHBondContact O-N 3.38Å; L205-M207 VanDerWaalsContact C-N 3.33Å; L205-M207 PolarHBondContact O-N 3.28Å; M207-A210 PolarHBondContact O-N 3.15Å; M207-Q211 WeakPolarHBondContact O-CB 3.25Å; M207-Q211 PolarHBondContact O-N 3.2Å
208E87Confident78.5Confident115 Ų115106.2 Ų106.254%0.53756%0.561SS.*Hα-helixtrans-60.9-45.7175.6-177.4175.9-160.800111.5L204 L205 A210 Q211 A212L204-E208 WeakPolarHBondContact O-CB 3.5Å; L204-E208 PolarHBondContact O-N 2.94Å; L205-E208 PolarHBondContact O-N 3.45Å; E208-A210 PolarHBondContact O-N 2.91Å; E208-Q211 PolarHBondContact O-N 3.24Å; E208-A212 WeakPolarHBondContact O-CB 3.31Å; E208-A212 PolarHBondContact O-N 3.47Å
209I84.3Confident76.2Confident107 Ų107105.1 Ų105.155%0.54957%0.565SS.*Hα-helixtrans-61.1-43.2175-68.7164.7000111.1L205 A212 G213L205-I209 HydrophobicContact CD1-CD1 4.24Å; L205-I209 HydrophobicContact CG-CD1 4.05Å; L205-I209 WeakPolarHBondContact O-CD1 3.25Å; L205-I209 VanDerWaalsContact O-CG1 3.25Å; L205-I209 WeakPolarHBondContact O-CG1 3.24Å; L205-I209 PolarHBondContact O-N 3.17Å; I209-A212 PolarHBondContact O-N 3.07Å; I209-G213 PolarHBondContact O-N 2.95Å; I209-G213 VanDerWaalsContact O-N 3.08Å
210A81.7Confident73.9Confident61 Ų61104.7 Ų104.750%0.50457%0.569SS.*Hα-helixtrans-64.9-38.2176.400000112.4N206 M207 E208 G213 L214N206-A210 WeakPolarHBondContact O-CB 3.5Å; N206-A210 PolarHBondContact O-N 3.48Å; M207-A210 PolarHBondContact O-N 3.15Å; E208-A210 PolarHBondContact O-N 2.91Å; A210-G213 PolarHBondContact O-N 3Å; A210-L214 PolarHBondContact O-N 3.33Å
211Q72.5Confident71.3Confident129 Ų129107.7 Ų107.760%0.60359%0.586SS**Hα-helixtrans-70.3-39.8177.8-169171.69.200112M207 E208 G213 L214 A215M207-Q211 WeakPolarHBondContact O-CB 3.25Å; M207-Q211 PolarHBondContact O-N 3.2Å; E208-Q211 PolarHBondContact O-N 3.24Å; Q211-G213 VanDerWaalsContact C-N 3.28Å; Q211-G213 PolarHBondContact O-N 3.04Å; Q211-L214 PolarHBondContact O-N 3.25Å; Q211-L214 VanDerWaalsContact O-N 3.08Å; Q211-A215 PolarHBondContact O-N 3.07Å
212A70.4Confident69.1Low57 Ų57106.3 Ų106.347%0.47159%0.594SS.*Hα-helixtrans-60.7-37171.700000112.1E208 I209 L214 A215 N216E208-A212 WeakPolarHBondContact O-CB 3.31Å; E208-A212 PolarHBondContact O-N 3.47Å; I209-A212 PolarHBondContact O-N 3.07Å; A212-L214 PolarHBondContact O-N 2.95Å; A212-A215 PolarHBondContact O-N 3.01Å; A212-N216 PolarHBondContact O-N 2.76Å
213G62.4Low66.5Low43 Ų43109.8 Ų109.844%0.44361%0.612SS.*Hα-helixtrans-66-16.6173.800000115.4I209 A210 Q211 R217I209-G213 PolarHBondContact O-N 2.95Å; I209-G213 VanDerWaalsContact O-N 3.08Å; A210-G213 PolarHBondContact O-N 3Å; Q211-G213 VanDerWaalsContact C-N 3.28Å; Q211-G213 PolarHBondContact O-N 3.04Å; G213-R217 PolarHBondContact O-NE 3.3Å
214L56.6Low63.7Low117 Ų117113.1 Ų113.161%0.61362%0.622SS**Hα-helixtrans-97.2-40.9172.2-73.5167.3000112A210 Q211 A212 N216 R217A210-L214 PolarHBondContact O-N 3.33Å; Q211-L214 PolarHBondContact O-N 3.25Å; Q211-L214 VanDerWaalsContact O-N 3.08Å; A212-L214 PolarHBondContact O-N 2.95Å; L214-N216 PolarHBondContact O-N 3.29Å; L214-R217 PolarHBondContact O-N 3.41Å
215A52.9Low61.8Low67 Ų67112.7 Ų112.755%0.55463%0.626SS**Hα-helixtrans-55.6-40177.800000112.1Q211 A212 R217 N218Q211-A215 PolarHBondContact O-N 3.07Å; A212-A215 PolarHBondContact O-N 3.01Å; A215-R217 PolarHBondContact O-N 2.8Å; A215-N218 PolarHBondContact O-N 2.92Å
216N51.6Low59.2Low133 Ų133115 Ų11571%0.71165%0.647SS**THydrogen-bonded Turntrans-7416.5178-160.325.1000114.8A212 L214A212-N216 PolarHBondContact O-N 2.76Å; L214-N216 PolarHBondContact O-N 3.29Å
217R52Low56.8Low197 Ų197117.8 Ų117.874%0.74366%0.661SS**THydrogen-bonded Turntrans-120.6-15.1173.2-62.4-176.9-175-105.20.8113.9G213 L214 A215G213-R217 PolarHBondContact O-NE 3.3Å; L214-R217 PolarHBondContact O-N 3.41Å; A215-R217 PolarHBondContact O-N 2.8Å
218N53.4Low54.7Low145 Ų145118.1 Ų118.178%0.77568%0.675SS**SBendtrans-108.116.5-169.1-80.951.5000114.1A215A215-N218 PolarHBondContact O-N 2.92Å
219C46.6Very low52.4Low88 Ų88117 Ų11760%0.59569%0.685SS**SBendtrans-11817.2-17956.30000114.2
220N47.7Very low50.1Low129 Ų129118.8 Ų118.869%0.6970%0.696SS**SBendtrans-133.674.7171.6-65.2-71.6000110.2
221D38.7Very low48.2Very low167 Ų167119.4 Ų119.489%0.89371%0.709SS**SBendtrans171.9154.5134.9-94.8-34.9000113.4
222A47.6Very low47Very low84 Ų84118.3 Ų118.369%0.69471%0.711SS**  trans65.475.8157.700000120.8
223D38.7Very low45.7Very low142 Ų142124.4 Ų124.476%0.75973%0.729SS**  46.3130.9115.2-67.9-55.5000124.8
224F34.8Very low44.5Very low191 Ų191129.8 Ų129.884%0.83875%0.748SS**  trans80.7155.4141.2-89.2-113.8000120.4
225P52.1Low44.1Very low98 Ų98130.1 Ų130.164%0.63676%0.76SS**  trans-127.5170.4-13444.6-34.1000116.7
226C36.3Very low43.6Very low133 Ų133130.5 Ų130.590%0.89977%0.771SS**  trans-103.9122.6162.9-74.60000112
227L40.6Very low42.5Very low156 Ų156134 Ų13482%0.81778%0.78SS**  trans-102.8172.8159-71.5171.6000109.2
228S40.9Very low42.2Very low122 Ų122129.7 Ų129.785%0.85378%0.775SS**  trans74.8139.7177.1-64.40000115.9
229A37.8Very low41.4Very low90 Ų90128 Ų12874%0.74477%0.774SS**  cis-153157.4-8.800000113.2
230D37.2Very low41Very low145 Ų145129.7 Ų129.778%0.77579%0.785SS**  trans3.3138.2147.5-163.55.1000119.3T232D230-T232 PolarHBondContact OD1-OG1 3.26Å
231G41.8Very low40.3Very low75 Ų75126.9 Ų126.977%0.77379%0.786SS**  trans-170.353.2-17300000112.5Q233G231-Q233 PolarHBondContact O-N 3.32Å
232T46.6Very low40.5Very low105 Ų105128 Ų12864%0.64479%0.786SS**  trans-51121.7-175.4-54.20000114.4D230D230-T232 PolarHBondContact OD1-OG1 3.26Å
233Q43.9Very low40.2Very low186 Ų186131.2 Ų131.287%0.86979%0.792SS**  -174.6143.8123.1-101.2151.2114.500115.3G231G231-Q233 PolarHBondContact O-N 3.32Å
234D37.3Very low40.5Very low156 Ų156129.9 Ų129.983%0.83479%0.794SS**  trans47.689.6152.4-15919.4000120.5
235S47.3Very low41.3Very low124 Ų124126.7 Ų126.787%0.86779%0.79SS**  -158.3130.6128.9500000110.7
236G42.8Very low41.3Very low75 Ų75125.8 Ų125.877%0.77378%0.783SS**  trans159.684.1171.500000117.8
237F29.2Very low42.7Very low207 Ų207122.7 Ų122.791%0.90876%0.763SS**  -156.2154.2119.6-163.8-106.5000111.4
238V45.6Very low43.5Very low106 Ų106125.3 Ų125.364%0.64276%0.762SS**  trans-109.6151.2-160.61680000112.2
239C35.8Very low44.4Very low110 Ų110122.5 Ų122.574%0.74375%0.747SS**  trans88.8139.6153.5-97.60000123.2
240C39.1Very low45.3Very low122 Ų122122.3 Ų122.382%0.82473%0.733SS**  trans69.5100.3144.2-640000119.8
241G33Very low46.6Very low70 Ų70120.6 Ų120.672%0.72272%0.723SS**  trans-159.272.9162.700000110.4N243G241-N243 PolarHBondContact O-N 3.31Å
242E42.9Very low47.7Very low190 Ų190122.3 Ų122.389%0.88871%0.714SS**  trans-64.9106-178.7-71.3170.3103.600111.4
243N41.4Very low48.7Very low152 Ų152123.6 Ų123.681%0.81372%0.716SS**  trans-141.363.5163.8-85.2-61.1000108.3G241 V245G241-N243 PolarHBondContact O-N 3.31Å; N243-V245 PolarHBondContact O-N 3.28Å
244S44.1Very low49.9Very low115 Ų115121.1 Ų121.180%0.80471%0.705SS**  trans-69.596.3171.1-163.70000108.3P246S244-P246 WeakPolarHBondContact O-CD 3.37Å
245V51.6Low51.2Low124 Ų124116.3 Ų116.375%0.75269%0.687SS**PPolyproline II helixtrans-60.2120.8167.8-176.50000106.3N243 S247N243-V245 PolarHBondContact O-N 3.28Å; V245-S247 PolarHBondContact O-N 2.89Å
246P52.2Low52.2Low78 Ų78113 Ų11351%0.50667%0.667SS.*PPolyproline II helixtrans-53.2131.5-173.9-28.235.2000110.7S244 D250 L251S244-P246 WeakPolarHBondContact O-CD 3.37Å; P246-D250 HydrophobicContact CB-CB 4.36Å; P246-L251 HydrophobicContact CB-CD1 4.07Å
247S65.5Low53.6Low68 Ų68116.9 Ų116.948%0.47666%0.66SS.*PPolyproline II helixtrans-62.5153.3-179.3-174.90000109V245 A249 D250 L251V245-S247 PolarHBondContact O-N 2.89Å; S247-A249 PolarHBondContact O-N 3.44Å; S247-D250 WeakPolarHBondContact CA-OD2 3.5Å; S247-D250 VanDerWaalsContact CB-OD2 3.23Å; S247-D250 WeakPolarHBondContact CB-OD2 3.42Å; S247-D250 PolarHBondContact N-OD2 3.31Å; S247-D250 PolarHBondContact O-N 2.88Å; S247-L251 PolarHBondContact O-N 3.37Å
248R57Low55.2Low212 Ų212111.5 Ų111.580%0.864%0.64SS**Hα-helixtrans-58.1-19.8174-179.6171.7166.7171-4.2112.2L252R248-L252 HydrophobicContact CG-CD1 4.4Å; R248-L252 WeakPolarHBondContact O-CD1 3.15Å; R248-L252 VanDerWaalsContact O-CG 3.25Å; R248-L252 WeakPolarHBondContact O-CG 3.49Å
249A59.8Low56.1Low63 Ų63110.1 Ų110.152%0.52164%0.635SS.*Hα-helixtrans-69.7-45.2169.700000112.8S247 L252 L253S247-A249 PolarHBondContact O-N 3.44Å; A249-L252 PolarHBondContact O-N 2.9Å; A249-L252 VanDerWaalsContact O-N 3.15Å; A249-L253 PolarHBondContact O-N 3.26Å
250D57.4Low57.4Low85 Ų85111.9 Ų111.946%0.45563%0.632SS.*Hα-helixtrans-65.9-45.9-174.8-50.5-41.5000111P246 S247 L252 L253 E254P246-D250 HydrophobicContact CB-CB 4.36Å; S247-D250 WeakPolarHBondContact CA-OD2 3.5Å; S247-D250 VanDerWaalsContact CB-OD2 3.23Å; S247-D250 WeakPolarHBondContact CB-OD2 3.42Å; S247-D250 PolarHBondContact N-OD2 3.31Å; S247-D250 PolarHBondContact O-N 2.88Å; D250-L252 PolarHBondContact O-N 3.5Å; D250-L253 PolarHBondContact O-N 3.09Å; D250-L253 VanDerWaalsContact O-N 3.1Å; D250-E254 PolarHBondContact O-N 2.9Å
251L64.4Low58.5Low109 Ų109111.1 Ų111.157%0.57162%0.616SS**Hα-helixtrans-59.1-30.7173.6-93.1130.2000113.5P246 S247 A255P246-L251 HydrophobicContact CB-CD1 4.07Å; S247-L251 PolarHBondContact O-N 3.37Å; L251-A255 WeakPolarHBondContact O-CB 3.29Å; L251-A255 PolarHBondContact O-N 2.94Å
252L64.3Low59.6Low112 Ų112111.4 Ų111.459%0.58660%0.604SS**Hα-helixtrans-80.1-32.7176.1-73.2172.2000112R248 A249 D250 A256R248-L252 HydrophobicContact CG-CD1 4.4Å; R248-L252 WeakPolarHBondContact O-CD1 3.15Å; R248-L252 VanDerWaalsContact O-CG 3.25Å; R248-L252 WeakPolarHBondContact O-CG 3.49Å; A249-L252 PolarHBondContact O-N 2.9Å; A249-L252 VanDerWaalsContact O-N 3.15Å; D250-L252 PolarHBondContact O-N 3.5Å; L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 3.42Å
253L68.4Low60.5Low131 Ų131105 Ų10569%0.68658%0.583SS**Hα-helixtrans-70.5-42.9176.9-159.171.1000111.3A249 D250 A256 Y257A249-L253 PolarHBondContact O-N 3.26Å; D250-L253 PolarHBondContact O-N 3.09Å; D250-L253 VanDerWaalsContact O-N 3.1Å; L253-A256 PolarHBondContact O-N 3.1Å; L253-Y257 PolarHBondContact O-N 2.87Å
254E68.9Low61.7Low134 Ų134100.4 Ų100.463%0.62656%0.564SS**Hα-helixtrans-70.4-36.9176.7-165166.9-171.600111.9D250 A256 Y257 L258D250-E254 PolarHBondContact O-N 2.9Å; E254-A256 VanDerWaalsContact C-N 3.34Å; E254-A256 PolarHBondContact O-N 2.8Å; E254-Y257 PolarHBondContact O-N 3.46Å; E254-L258 WeakPolarHBondContact O-CG 3.21Å; E254-L258 PolarHBondContact O-N 3.24Å
255A64.6Low62.4Low56 Ų5699.8 Ų99.846%0.46355%0.551SS.*Hα-helixtrans-64.5-35.417100000113.1L251 S259L251-A255 WeakPolarHBondContact O-CB 3.29Å; L251-A255 PolarHBondContact O-N 2.94Å; A255-S259 PolarHBondContact O-N 2.99Å
256A68.1Low62.4Low55 Ų5599 Ų9946%0.45554%0.542SS..Hα-helixtrans-67.3-4317400000111.7L252 L253 E254 L258 S259 E260L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 3.42Å; L253-A256 PolarHBondContact O-N 3.1Å; E254-A256 VanDerWaalsContact C-N 3.34Å; E254-A256 PolarHBondContact O-N 2.8Å; A256-L258 PolarHBondContact O-N 3.11Å; A256-S259 WeakPolarHBondContact O-CB 3.16Å; A256-S259 PolarHBondContact O-N 2.86Å; A256-S259 VanDerWaalsContact O-N 3.11Å; A256-E260 PolarHBondContact O-N 3.49Å
257Y71.6Confident63.1Low156 Ų15699.2 Ų99.261%0.61254%0.542SS*.Hα-helixtrans-60.4-45.3177.5-172.1-92.3000112.3L253 E254 S259 E260 E261L253-Y257 PolarHBondContact O-N 2.87Å; E254-Y257 PolarHBondContact O-N 3.46Å; Y257-S259 PolarHBondContact O-N 3.18Å; Y257-E260 PolarHBondContact O-N 3.06Å; Y257-E261 PolarHBondContact O-N 3.12Å; Y257-E261 VanDerWaalsContact O-N 3.14Å
258L63.6Low63.2Low93 Ų93102.3 Ų102.349%0.48755%0.547SS..Hα-helixtrans-65.6-24.3175.8-67.6169.5000113.1E254 A256 T262E254-L258 WeakPolarHBondContact O-CG 3.21Å; E254-L258 PolarHBondContact O-N 3.24Å; A256-L258 PolarHBondContact O-N 3.11Å; L258-T262 WeakPolarHBondContact O-CB 3.38Å; L258-T262 WeakPolarHBondContact O-CG2 3.49Å; L258-T262 PolarHBondContact O-N 3.39Å; L258-T262 VanDerWaalsContact O-N 3.1Å; L258-T262 PolarHBondContact O-OG1 2.75Å
259S64.8Low63.5Low77 Ų7795.7 Ų95.754%0.53853%0.53SS..Hα-helixtrans-69.2-42.2173.3-164.60000111.9A255 A256 Y257 T262 A263A255-S259 PolarHBondContact O-N 2.99Å; A256-S259 WeakPolarHBondContact O-CB 3.16Å; A256-S259 PolarHBondContact O-N 2.86Å; A256-S259 VanDerWaalsContact O-N 3.11Å; Y257-S259 PolarHBondContact O-N 3.18Å; S259-T262 PolarHBondContact O-OG1 2.7Å; S259-T262 VanDerWaalsContact O-OG1 3.14Å; S259-A263 WeakPolarHBondContact O-CB 3.44Å; S259-A263 PolarHBondContact O-N 2.86Å
260E62.8Low63.5Low148 Ų14899.6 Ų99.669%0.69253%0.532SS*.Hα-helixtrans-68.2-41175.3-69.7-165.6119.700112.1A256 Y257 T262 A263 S264A256-E260 PolarHBondContact O-N 3.49Å; Y257-E260 PolarHBondContact O-N 3.06Å; E260-T262 PolarHBondContact O-N 2.89Å; E260-A263 PolarHBondContact O-N 3.19Å; E260-S264 WeakPolarHBondContact O-CB 3.41Å; E260-S264 PolarHBondContact O-N 3.39Å
261E62.2Low63.4Low106 Ų106101.3 Ų101.350%0.49554%0.537SS..Hα-helixtrans-64.9-38.9178.8-170.2164-157.900112.1Y257 S264 L265Y257-E261 PolarHBondContact O-N 3.12Å; Y257-E261 VanDerWaalsContact O-N 3.14Å; E261-S264 PolarHBondContact O-N 2.96Å; E261-L265 PolarHBondContact O-N 3.43Å
262T56.9Low63Low75 Ų7598.5 Ų98.546%0.4653%0.526SS..Hα-helixtrans-72.3-31.917551.50000113.2L258 S259 E260 L265 N266L258-T262 WeakPolarHBondContact O-CB 3.38Å; L258-T262 WeakPolarHBondContact O-CG2 3.49Å; L258-T262 PolarHBondContact O-N 3.39Å; L258-T262 VanDerWaalsContact O-N 3.1Å; L258-T262 PolarHBondContact O-OG1 2.75Å; S259-T262 PolarHBondContact O-OG1 2.7Å; S259-T262 VanDerWaalsContact O-OG1 3.14Å; E260-T262 PolarHBondContact O-N 2.89Å; T262-L265 PolarHBondContact O-N 2.83Å; T262-N266 PolarHBondContact O-N 3.38Å; T262-N266 VanDerWaalsContact O-N 3.09Å; T262-N266 PolarHBondContact O-ND2 3.24Å
263A61.8Low62.6Low55 Ų5598.4 Ų98.446%0.45552%0.523SS..Hα-helixtrans-66.5-39.5170.300000112.4S259 E260 N266 T267S259-A263 WeakPolarHBondContact O-CB 3.44Å; S259-A263 PolarHBondContact O-N 2.86Å; E260-A263 PolarHBondContact O-N 3.19Å; A263-N266 PolarHBondContact O-N 3.45Å; A263-T267 PolarHBondContact O-N 3.06Å; A263-T267 VanDerWaalsContact O-N 3.16Å; A263-T267 PolarHBondContact O-OG1 2.96Å; A263-T267 VanDerWaalsContact O-OG1 3.06Å
264S64.9Low61.9Low57 Ų5797.2 Ų97.240%0.39951%0.514SS..Hα-helixtrans-64.2-37.8175.2-171.30000112.5E260 E261 T267 K268E260-S264 WeakPolarHBondContact O-CB 3.41Å; E260-S264 PolarHBondContact O-N 3.39Å; E261-S264 PolarHBondContact O-N 2.96Å; S264-T267 PolarHBondContact O-OG1 3.13Å; S264-T267 VanDerWaalsContact O-OG1 3.05Å; S264-K268 PolarHBondContact O-N 3.19Å
265L58.8Low61Low101 Ų10197.4 Ų97.453%0.52951%0.514SS..Hα-helixtrans-67.5-46.3173.2-85.4163.6000112.8E261 T262 T267 K268 V269E261-L265 PolarHBondContact O-N 3.43Å; T262-L265 PolarHBondContact O-N 2.83Å; L265-T267 VanDerWaalsContact C-N 3.31Å; L265-T267 PolarHBondContact O-N 2.86Å; L265-K268 PolarHBondContact O-N 3.14Å; L265-V269 WeakPolarHBondContact O-CG2 3.2Å; L265-V269 PolarHBondContact O-N 3.28Å
266N52.9Low60.2Low108 Ų108101.1 Ų101.158%0.57852%0.522SS*.Hα-helixtrans-62.7-35-179.2-82.6-74000113.1T262 A263 R270T262-N266 PolarHBondContact O-N 3.38Å; T262-N266 VanDerWaalsContact O-N 3.09Å; T262-N266 PolarHBondContact O-ND2 3.24Å; A263-N266 PolarHBondContact O-N 3.45Å; N266-R270 PolarHBondContact O-N 3.26Å
267T65.6Low59.3Low83 Ų83106 Ų10651%0.50954%0.536SS..Hα-helixtrans-70.7-38.4175.8470000112.5A263 S264 L265 R270 Q271A263-T267 PolarHBondContact O-N 3.06Å; A263-T267 VanDerWaalsContact O-N 3.16Å; A263-T267 PolarHBondContact O-OG1 2.96Å; A263-T267 VanDerWaalsContact O-OG1 3.06Å; S264-T267 PolarHBondContact O-OG1 3.13Å; S264-T267 VanDerWaalsContact O-OG1 3.05Å; L265-T267 VanDerWaalsContact C-N 3.31Å; L265-T267 PolarHBondContact O-N 2.86Å; T267-R270 PolarHBondContact O-N 3.34Å; T267-Q271 PolarHBondContact O-N 3.45Å; T267-Q271 VanDerWaalsContact O-N 3.17Å
268K67.9Low58.1Low133 Ų133103 Ų10358%0.57853%0.533SS*.Hα-helixtrans-64.6-39.4172.3-80.5173.9176.31670113.6S264 L265 Q271 S272S264-K268 PolarHBondContact O-N 3.19Å; L265-K268 PolarHBondContact O-N 3.14Å; K268-Q271 PolarHBondContact O-N 3.26Å; K268-S272 PolarHBondContact O-N 3.36Å
269V63.9Low57.3Low73 Ų73103.3 Ų103.344%0.44254%0.539SS..Hα-helixtrans-58.6-50.4175.8170.70000110.1L265 Q271 S272 E273L265-V269 WeakPolarHBondContact O-CG2 3.2Å; L265-V269 PolarHBondContact O-N 3.28Å; V269-Q271 VanDerWaalsContact C-N 3.34Å; V269-Q271 PolarHBondContact O-N 3.08Å; V269-S272 PolarHBondContact O-N 2.87Å; V269-S272 PolarHBondContact O-OG 2.93Å; V269-E273 PolarHBondContact O-N 2.96Å; V269-E273 VanDerWaalsContact O-N 3.13Å
270R59.6Low56.2Low145 Ų145108 Ų10855%0.54755%0.553SS.*Hα-helixtrans-57.5-42.1177.6-71.7-174.958.773.921.2113.5N266 T267 S272 E273 E274N266-R270 PolarHBondContact O-N 3.26Å; T267-R270 PolarHBondContact O-N 3.34Å; R270-S272 VanDerWaalsContact C-N 3.33Å; R270-S272 PolarHBondContact O-N 2.88Å; R270-E273 PolarHBondContact O-N 3.26Å; R270-E274 IonicContact NH2-OE1 3.1Å; R270-E274 PolarHBondContact NH2-OE1 2.68Å; R270-E274 PolarHBondContact O-N 2.87Å; R270-E274 VanDerWaalsContact O-N 3.13Å
271Q55.5Low55Low121 Ų121105.7 Ų105.757%0.56555%0.553SS**Hα-helixtrans-63.2-39.7176.1-73.5177.7-27.300111.7T267 K268 V269 E273 E274 E275T267-Q271 PolarHBondContact O-N 3.45Å; T267-Q271 VanDerWaalsContact O-N 3.17Å; K268-Q271 PolarHBondContact O-N 3.26Å; V269-Q271 VanDerWaalsContact C-N 3.34Å; V269-Q271 PolarHBondContact O-N 3.08Å; Q271-E273 VanDerWaalsContact C-N 3.26Å; Q271-E273 PolarHBondContact O-N 2.92Å; Q271-E274 PolarHBondContact O-N 3.21Å; Q271-E275 WeakPolarHBondContact O-CG 3.49Å; Q271-E275 PolarHBondContact O-N 3.08Å
272S55.1Low53.9Low49 Ų49105.5 Ų105.534%0.34356%0.563SS.*Hα-helixtrans-68.5-20.7176.675.70000114.3K268 V269 R270 Q276K268-S272 PolarHBondContact O-N 3.36Å; V269-S272 PolarHBondContact O-N 2.87Å; V269-S272 PolarHBondContact O-OG 2.93Å; R270-S272 VanDerWaalsContact C-N 3.33Å; R270-S272 PolarHBondContact O-N 2.88Å; S272-Q276 WeakPolarHBondContact O-CG 3.44Å; S272-Q276 PolarHBondContact O-N 3.23Å; S272-Q276 PolarHBondContact O-NE2 3.48Å
273E56.2Low53.2Low111 Ų111107.6 Ų107.652%0.51958%0.576SS.*Hα-helixtrans-78.7-43172.1-65.9174.2140.700111V269 R270 Q271 Q276 Q277V269-E273 PolarHBondContact O-N 2.96Å; V269-E273 VanDerWaalsContact O-N 3.13Å; R270-E273 PolarHBondContact O-N 3.26Å; Q271-E273 VanDerWaalsContact C-N 3.26Å; Q271-E273 PolarHBondContact O-N 2.92Å; E273-Q276 PolarHBondContact O-N 3.4Å; E273-Q277 PolarHBondContact O-N 2.96Å; E273-Q277 VanDerWaalsContact O-N 3.08Å
274E53.8Low52.2Low106 Ų106114.4 Ų114.450%0.49560%0.598SS.*Hα-helixtrans-67.4-34.2177.9-69171.3-167.800112.1R270 Q271 T278R270-E274 IonicContact NH2-OE1 3.1Å; R270-E274 PolarHBondContact NH2-OE1 2.68Å; R270-E274 PolarHBondContact O-N 2.87Å; R270-E274 VanDerWaalsContact O-N 3.13Å; Q271-E274 PolarHBondContact O-N 3.21Å; E274-T278 PolarHBondContact O-N 3.29Å; E274-T278 PolarHBondContact O-OG1 3.4Å
275E50.5Low50.7Low137 Ų137115.4 Ų115.464%0.6462%0.618SS**Hα-helixtrans-70.2-38.7172-72.7-174.2153.800112.9Q271 Q277 T278 V279Q271-E275 WeakPolarHBondContact O-CG 3.49Å; Q271-E275 PolarHBondContact O-N 3.08Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 3.45Å; E275-T278 WeakPolarHBondContact CA-OG1 3.23Å; E275-T278 PolarHBondContact O-N 2.93Å; E275-T278 PolarHBondContact O-OG1 2.92Å; E275-T278 VanDerWaalsContact O-OG1 3.06Å; E275-V279 WeakPolarHBondContact O-CG2 3.34Å; E275-V279 PolarHBondContact O-N 3.25Å
276Q48.5Very low49.4Very low134 Ų134116.7 Ų116.763%0.62663%0.63SS**Hα-helixtrans-66.7-34.9175.7-80.9173.986.800112.4S272 E273 T278S272-Q276 WeakPolarHBondContact O-CG 3.44Å; S272-Q276 PolarHBondContact O-N 3.23Å; S272-Q276 PolarHBondContact O-NE2 3.48Å; E273-Q276 PolarHBondContact O-N 3.4Å; Q276-T278 VanDerWaalsContact C-N 3.32Å; Q276-T278 PolarHBondContact O-N 2.97Å
277Q48.5Very low48.4Very low158 Ų158120.1 Ų120.174%0.73864%0.642SS**Hα-helixtrans-72.3-23.6178.2-166.6164.753.200113.3E273 E275E273-Q277 PolarHBondContact O-N 2.96Å; E273-Q277 VanDerWaalsContact O-N 3.08Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 3.45Å
278T46.1Very low46.8Very low92 Ų92122.8 Ų122.856%0.56466%0.658SS**Hα-helixtrans-88.6-25.5176.943.10000114E274 E275 Q276 S281E274-T278 PolarHBondContact O-N 3.29Å; E274-T278 PolarHBondContact O-OG1 3.4Å; E275-T278 WeakPolarHBondContact CA-OG1 3.23Å; E275-T278 PolarHBondContact O-N 2.93Å; E275-T278 PolarHBondContact O-OG1 2.92Å; E275-T278 VanDerWaalsContact O-OG1 3.06Å; Q276-T278 VanDerWaalsContact C-N 3.32Å; Q276-T278 PolarHBondContact O-N 2.97Å; T278-S281 PolarHBondContact O-OG 2.94Å
279V45.9Very low45.1Very low101 Ų101123.6 Ų123.661%0.61267%0.668SS**Hα-helixtrans-72.5-33.3174.6173.80000112.4E275 S281 S282E275-V279 WeakPolarHBondContact O-CG2 3.34Å; E275-V279 PolarHBondContact O-N 3.25Å; V279-S281 VanDerWaalsContact C-N 3.31Å; V279-S281 PolarHBondContact O-N 2.94Å; V279-S282 PolarHBondContact O-N 3.29Å
280Q41.7Very low43.5Very low176 Ų176128.4 Ų128.482%0.82269%0.685SS**THydrogen-bonded Turntrans-68.4-22.1-179.8-79.7-167-9.100114.9
281S38.6Very low42.1Very low99 Ų99130.8 Ų130.869%0.69270%0.703SS**THydrogen-bonded Turntrans-89.2-3.1-178.659.50000114.6T278 V279T278-S281 PolarHBondContact O-OG 2.94Å; V279-S281 VanDerWaalsContact C-N 3.31Å; V279-S281 PolarHBondContact O-N 2.94Å
282S38.7Very low41Very low102 Ų102133.1 Ų133.171%0.71371%0.714SS**SBendtrans-106.96.4-166.9-1520000114.7V279V279-S282 PolarHBondContact O-N 3.29Å
283V43.3Very low39.7Very low119 Ų119136.8 Ų136.872%0.72173%0.733SS**SBendtrans-110.9-16.5-167.2-177.10000114.5
284E40.3Very low38.5Very low197 Ų197139.4 Ų139.492%0.92175%0.746SS**SBendtrans-113.2107.2173-78.4-170.813100111.1
285G32.2Very low37.5Very low79 Ų79141.6 Ų141.681%0.81476%0.756SS**  trans157.333.3174.300000118.5
286T33.3Very low36.7Very low127 Ų127147.2 Ų147.278%0.77977%0.771SS**  trans-110.5141.8172.6-40.60000110.1
287E30.9Very low36Very low180 Ų180150.1 Ų150.184%0.84178%0.782SS**  trans71.3140.6-176.2-47175.9-141.500112.3
288V31.7Very low35.2Very low140 Ų140148.5 Ų148.585%0.84878%0.783SS**  cis-132.8172.823.9175.50000111.5
289L32.5Very low34.6Very low150 Ų150150.2 Ų150.279%0.78580%0.797SS**  trans-85157-168.4-64.7160.3000116.7
290H30.8Very low34.1Very low174 Ų174152.5 Ų152.581%0.80681%0.806SS**  trans40.8124.2143.5-83.1-114.4000121.9
291E30.4Very low33.9Very low194 Ų194151.9 Ų151.991%0.90781%0.807SS**  -151.1-179.3119-133.8170.7-155.100111.4
292E31Very low33.5Very low171 Ų171151.8 Ų151.880%0.79981%0.812SS**  trans-92.7140.3-151-74.1-162.2112.300119.1
293V28.5Very low33.4Very low125 Ų125151.2 Ų151.276%0.75882%0.823SS**  33.4100.9120.5-166.20000120
294E30.8Very low33Very low167 Ų167156.5 Ų156.578%0.7883%0.829SS**  trans-176.5148.3135.4-104.2-154.9118.300108.3
295Q33Very low32.8Very low151 Ų151155.7 Ų155.771%0.70683%0.828SS**  cis-134.1134.3-1.7-94157.114.600110.4K297Q295-K297 PolarHBondContact O-N 2.84Å
296R33.7Very low32.9Very low256 Ų256161.6 Ų161.697%0.96683%0.834SS**  trans-84.391.2160.6-101.8-171.9168.7-154.8-0.4109.7
297K34.4Very low32.8Very low194 Ų194158.6 Ų158.684%0.84383%0.829SS**  trans-162.5154.1160.4-115.8167.2-174.1177.10112.7Q295Q295-K297 PolarHBondContact O-N 2.84Å
298V31.9Very low33Very low125 Ų125159 Ų15976%0.75883%0.831SS**  trans82.672.4-174.3-164.90000114.6
299C33.1Very low33.2Very low128 Ų128160 Ų16087%0.86583%0.831SS**  trans-105.4-3.5155.8-64.80000112.6
300D35.3Very low33.1Very low148 Ų148160.7 Ų160.779%0.79184%0.835SS**SBendtrans-114.250.6-167.3-60.3-69.5000113.9
301L36.7Very low32.9Very low164 Ų164162.5 Ų162.586%0.85984%0.841SS**SBendtrans-159.661.8161.6-14073.9000115.8
302A31.8Very low32.9Very low97 Ų97157.2 Ų157.280%0.80283%0.83SS**  trans-141.3-5.816700000115.1R304A302-R304 VanDerWaalsContact C-N 3.26Å; A302-R304 PolarHBondContact O-N 3.06Å
303G36.8Very low32.9Very low90 Ų90152.7 Ų152.793%0.92883%0.83SS**  trans-77.859.3-179.500000114.2
304R34.5Very low32.9Very low229 Ų229152.9 Ų152.986%0.86484%0.835SS**  trans-155.6147.7172.3-147.6172.7-177.8171.70.1111.8A302A302-R304 VanDerWaalsContact C-N 3.26Å; A302-R304 PolarHBondContact O-N 3.06Å
305M36.3Very low33.1Very low181 Ų181151.6 Ų151.689%0.89284%0.843SS**  trans70.149.4174.9-53.8-177.467.100116.5
306Q34.3Very low33Very low202 Ų202147.8 Ų147.894%0.94484%0.844SS**  -80.2132128.6-79.2-176.1-18.300107.4
307G31.2Very low33Very low65 Ų65144 Ų14467%0.6784%0.837SS**  trans-163107.8-179.700000111.3
308E33.9Very low32.9Very low189 Ų189141.9 Ų141.988%0.88384%0.836SS**  trans64.8146.9154.1-54.5-177.1139.100116.7
309L35.9Very low32.9Very low161 Ų161145.7 Ų145.784%0.84384%0.842SS**  cis-124.9138.718.1-71.3154.4000112
310N30.9Very low32.9Very low163 Ų163147.8 Ų147.887%0.87284%0.839SS**  trans-89.1144.1158.4-72.2-38.9000108.8
311F26.1Very low32.6Very low212 Ų212148.7 Ų148.793%0.9384%0.844SS**  trans-122.3110.5159.1-154.8-89.9000108.5
312A32Very low32.3Very low83 Ų83146.9 Ų146.969%0.68684%0.835SS**  trans-82.8140.4-177.700000110.7
313G30Very low32.4Very low76 Ų76149.8 Ų149.878%0.78483%0.832SS**  trans-86.4136.3163.100000110.3
314C29Very low32Very low130 Ų130155 Ų15588%0.87882%0.823SS**  trans-140121.1167-91.20000109.5
315C34.8Very low31.9Very low139 Ų139148.9 Ų148.994%0.93981%0.812SS**  trans-92.5146.2149.7-610000107.2
316G31.6Very low31.7Very low71 Ų71148.2 Ų148.273%0.73281%0.806SS**  trans-174.9130177.600000110.7
317E32.3Very low31.5Very low176 Ų176145.4 Ų145.482%0.82280%0.798SS**  trans-78.5164.7-163.1-66.3117.4117.900117.2
318D32.6Very low31.7Very low151 Ų151152.4 Ų152.481%0.80781%0.81SS**  trans55124.7143.7-63.2-11.3000122.7
319K33Very low31.6Very low204 Ų204151.5 Ų151.589%0.88781%0.806SS**  -153.9158.6119.1-117.3170.7-173.8177.30114.3
320Q31.5Very low31.4Very low172 Ų172151.9 Ų151.980%0.80480%0.803SS**  trans-75.4159.4-179.9-59.4159.5-78.500112.2
321D29.3Very low31.4Very low168 Ų168152.4 Ų152.490%0.89880%0.8SS**  -160.5177.7120-100.1-24.3000111.5
322D30.7Very low31.6Very low125 Ų125147.2 Ų147.267%0.66880%0.797SS**  trans-101.1164.6-134.6-153-19.1000117.8
323Q33.9Very low31.4Very low158 Ų158146.3 Ų146.374%0.73880%0.796SS**  trans58.8137154.6-93.9147.772.900120.7
324R28.2Very low31.4Very low199 Ų199151.4 Ų151.475%0.75180%0.803SS**  -167.9133.461.7-176.2-176.7-178.1-74.61.7115.3
325V32.4Very low31.5Very low102 Ų102148.1 Ų148.162%0.61879%0.791SS**  trans-18130.8158.4-153.10000118.5
326E31.3Very low31.2Very low167 Ų167150.4 Ų150.478%0.7879%0.787SS**  -174.3153108.7-100.1176.2-157.700114.9
327D30.7Very low31.1Very low142 Ų142157.1 Ų157.176%0.75979%0.791SS**  trans-88.3158.2-168.8-56.2-88000115.5
328K34.6Very low31.2Very low213 Ų213153 Ų15393%0.92678%0.781SS**  -161.9154.1118-112.4166.9-175175.70115.3
329Q32.3Very low31Very low170 Ų170150.7 Ų150.779%0.79477%0.773SS**  trans-102.2173.7-172.1-59.6165.5-61.400113.2
330Q31.7Very low31.1Very low169 Ų169149.1 Ų149.179%0.7977%0.769SS**  trans104.6111.9156.5-63.1176.6-46.800114.6
331E31.3Very low31Very low173 Ų173148.5 Ų148.581%0.80877%0.766SS**  cis97.512149.8-92.7-162.8120.500113.1
332A29.4Very low30.9Very low104 Ų104146.6 Ų146.686%0.8676%0.76SS**  trans59.8145.3151.600000120.5
333G28.6Very low30.7Very low64 Ų64145.6 Ų145.666%0.6676%0.763SS**  cis149.9142.1-11.300000113.8
334I31.2Very low31.4Very low183 Ų183143.8 Ų143.894%0.93877%0.765SS**  trans67.4141.4168.7-48.4173.4000114.2
335G29.1Very low31.5Very low60 Ų60140 Ų14062%0.61976%0.764SS**  cis168.1176.9-5.200000111.4
336E29.1Very low31.4Very low187 Ų187143.1 Ų143.187%0.87478%0.775SS**  trans63.1174.2167.6-54-163.1112.800118.5
337R29.5Very low31.3Very low213 Ų213140.9 Ų140.980%0.80477%0.773SS**  -165.1150.6-56.3176.1176.4171.61780.6110.3
338S34.4Very low32.3Very low89 Ų89139.4 Ų139.462%0.62277%0.771SS**  trans71.1162.1163-81.30000117.2
339T29.1Very low31.9Very low103 Ų103136.2 Ų136.263%0.63276%0.76SS**  cis-154.6152.22.2-2.90000112.4
340E34.1Very low31.8Very low171 Ų171136.8 Ų136.880%0.79976%0.756SS**  trans57.9164141.8-77.1158.6166.600121.3
341E29.9Very low31.6Very low159 Ų159134.7 Ų134.774%0.74376%0.755SS**  cis-153.6-176.84.8-141.3-146.9123.900114.2
342T26.8Very low31.5Very low127 Ų127137.1 Ų137.178%0.77976%0.757SS**  trans97.3131.9159.671.80000121.5
343S27.7Very low31.6Very low104 Ų104140.2 Ų140.273%0.72776%0.758SS**  trans-157.8162.4168.7-171.50000107.5
344P48.4Very low31.9Very low120 Ų120142.4 Ų142.478%0.77976%0.763SS**  -152136104.435.8-17.2000117.7
345V29.3Very low32.2Very low121 Ų121139.7 Ų139.773%0.73376%0.757SS**  28126.8127.6-175.30000120.7
346I31.9Very low32.1Very low166 Ų166140.8 Ų140.885%0.85177%0.768SS**  -160.1147.4128.5-98.1153.3000109
347T29.2Very low32.2Very low121 Ų121136 Ų13674%0.74276%0.761SS**  trans-150.5168.5-177.344.70000109.7
348P50.8Low32.4Very low110 Ų110135.4 Ų135.471%0.71477%0.767SS**  cis-117-136.36.9260.2000111
349E25.9Very low32.2Very low146 Ų146140 Ų14068%0.68278%0.779SS**  cis-163178.77.1-154.2170.3-101.300113.2
350Y29.6Very low32.4Very low183 Ų183140.5 Ų140.572%0.71878%0.784SS**  trans54105.6164.243.6-109.4000123
351T28.7Very low32.2Very low124 Ų124140.9 Ų140.976%0.76179%0.785SS**  87.5101.7120.7-56.50000120.9
352R29.5Very low32.2Very low225 Ų225139.7 Ų139.785%0.84979%0.79SS**  trans60.7115.7136.7-173.3-162.4-72.2-164.6-2.1119.2
353L31.9Very low32.6Very low169 Ų169138.9 Ų138.989%0.88579%0.789SS**  -165.6168.5119.3-103167.3000110.7
354S33.2Very low33.2Very low109 Ų109142.2 Ų142.276%0.76279%0.793SS**  trans-134.4136.2-169.8-179.30000112.7
355P38.3Very low32.7Very low127 Ų127142 Ų14283%0.82579%0.792SS**  trans-109.1137167.936.5-26.4000112.4
356G26.8Very low33Very low82 Ų82142.3 Ų142.385%0.84580%0.796SS**  trans-111.5-170.6-175.300000116
357A32Very low33.1Very low88 Ų88146.1 Ų146.173%0.72780%0.8SS**  trans-149.9113.1167.500000107.5
358Q32.1Very low33.1Very low199 Ų199152 Ų15293%0.9381%0.808SS**  89.5115.690.1-81-173.254.900113.9
359E30.8Very low32.1Very low186 Ų186152.1 Ų152.187%0.86981%0.812SS**  trans-121.7161.5164-110.4-160.1104.600109.5
360P34.6Very low32.4Very low114 Ų114151.7 Ų151.774%0.7482%0.819SS**  trans-80.5163.9-163.832.3-36.1000114.9
361Q28.7Very low32.4Very low178 Ų178147.3 Ų147.383%0.83282%0.815SS**  trans-89147.5-174.1-57.1-176.16.200112.9
362T30.9Very low32.7Very low135 Ų135152.9 Ų152.983%0.82882%0.822SS**  trans-113.7126158.984.20000108.7
363S34.4Very low33.1Very low110 Ų110150.3 Ų150.377%0.76982%0.82SS**  trans-96.9112.4-172.4-55.20000111.8
364Q40.7Very low33.3Very low174 Ų174150.7 Ų150.781%0.81382%0.817SS**PPolyproline II helixtrans-85.4147.1162.7-65.9-17113.400110.6
365P37Very low33.1Very low115 Ų115153 Ų15375%0.74782%0.819SS**PPolyproline II helixtrans-70.3145178.128.7-34.5000111.8R367P365-R367 PolarHBondContact O-N 2.84Å
366P36.2Very low32.8Very low127 Ų127151.6 Ų151.683%0.82582%0.818SS**PPolyproline II helixtrans-67.6133.3-175.1-20.933.1000113.5R368P366-R368 PolarHBondContact O-N 3.36Å
367R32.8Very low33.1Very low247 Ų247151.4 Ų151.493%0.93282%0.816SS**PPolyproline II helixtrans-70.1119.6164.4-65.5-174-179.8-151.90109P365 S369P365-R367 PolarHBondContact O-N 2.84Å; R367-S369 PolarHBondContact O-N 3.42Å; R367-S369 VanDerWaalsContact O-N 3.16Å
368R29.6Very low32.9Very low243 Ų243154 Ų15492%0.91782%0.823SS**  trans-68.5108.8166.6-84.3-174.4171178.3-3.1109.5P366P366-R368 PolarHBondContact O-N 3.36Å
369S29.7Very low33Very low114 Ų114150.5 Ų150.580%0.79782%0.816SS**PPolyproline II helixtrans-65.4138.8151.240.50000108.9R367R367-S369 PolarHBondContact O-N 3.42Å; R367-S369 VanDerWaalsContact O-N 3.16Å
370V33.2Very low32.9Very low136 Ų136147.9 Ų147.982%0.82481%0.812SS**PPolyproline II helixtrans-97.4132.1163.6-179.60000106.5
371S30.2Very low32.9Very low92 Ų92148.1 Ų148.164%0.64381%0.811SS**PPolyproline II helixtrans-66.6143.6-179.240.40000111.5
372R33.7Very low33.1Very low240 Ų240147.7 Ų147.791%0.90681%0.809SS**  trans-86.1110.2168168.5-174.3168.9173.4-2.4107.8
373E38.2Very low33.3Very low172 Ų172147.3 Ų147.380%0.80481%0.806SS**  trans-122.7160.4161.9-86.4162.5129.100109.7
374E35.8Very low33.2Very low176 Ų176150.5 Ų150.582%0.82281%0.809SS**  trans-100.7160.2-151.5-157.1179.5113.200112.8
375I29.7Very low33.3Very low157 Ų157149 Ų14981%0.80581%0.806SS**  176.6129.8122.7-89.4154.2000110.8
376A31.2Very low33.5Very low98 Ų98152.4 Ų152.481%0.8181%0.812SS**  trans43.5129.3157.200000122
377G33.9Very low33.6Very low78 Ų78153.6 Ų153.680%0.80481%0.812SS**  122.245.4122.200000120.4
378V28.1Very low33.9Very low142 Ų142149 Ų14986%0.86181%0.806SS**  trans-131.3114.3155.6-177.60000109.9
379T32.6Very low34.5Very low127 Ų127144 Ų14478%0.77980%0.797SS**  trans-77.212417244.40000110.4
380V30.6Very low35.2Very low130 Ų130146.2 Ų146.279%0.78880%0.795SS**  trans-76.2129162.9178.20000107.9
381V33.7Very low35.4Very low120 Ų120145 Ų14573%0.72778%0.784SS**  trans-122.1118.6163.3177.10000106.2
382E33.6Very low36Very low168 Ų168147.6 Ų147.679%0.78578%0.783SS**PPolyproline II helixtrans-71.7134.4170.9-64.5173.8122.500108.5H384E382-H384 PolarHBondContact O-N 3.17Å
383V35.3Very low35.9Very low128 Ų128141.4 Ų141.478%0.77677%0.773SS**PPolyproline II helixtrans-82118.1171.5-176.50000107.6
384H31.8Very low35.8Very low177 Ų177139.1 Ų139.182%0.81977%0.766SS**PPolyproline II helixtrans-91.3136.5157.8-104.660.6000108E382E382-H384 PolarHBondContact O-N 3.17Å
385D42.8Very low35.8Very low143 Ų143137.3 Ų137.377%0.76576%0.757SS**PPolyproline II helixtrans-87.1132.5166.9-56.1-69.3000109.1
386E40Very low36.1Very low185 Ų185137.8 Ų137.886%0.86476%0.756SS**  trans-174.8109.9145.3-106.8169-150.500111.1
387D39.3Very low36.1Very low153 Ų153141.4 Ų141.482%0.81876%0.756SS**  trans38.7135.8143.2-54.5-20.7000125.8
388D39.6Very low36.1Very low151 Ų151141.6 Ų141.681%0.80775%0.751SS**  trans94.3147134.9-101-21.7000126.6
389D41.1Very low36.2Very low136 Ų136142.1 Ų142.173%0.72775%0.754SS**  trans68.9114156.9-80.6-31.4000125.5
390E44.7Very low36.2Very low162 Ų162139.5 Ų139.576%0.75775%0.752SS**  65.9114.4125.7-74-79.5106.400124.4
391D37.5Very low36.2Very low111 Ų111140.2 Ų140.259%0.59476%0.757SS**  99.4149119.3-151.425000123.2
392K42.1Very low36.3Very low145 Ų145139 Ų13963%0.6376%0.759SS**  trans6289.5162.3-63.3-80153.1-3.90123.3
393T33.3Very low36.2Very low111 Ų111137.6 Ų137.668%0.68176%0.762SS**  53.9152.5109.759.90000124.4
394N35.3Very low36.5Very low124 Ų124135.7 Ų135.766%0.66376%0.76SS**  trans79.2151.9155.4-76.131000118.7
395E36.7Very low36.7Very low138 Ų138136.2 Ų136.265%0.64576%0.762SS**  cis-170.1144.6-26.5-116.9169.5-145.600108.4
396Q35.2Very low36.7Very low166 Ų166137.3 Ų137.378%0.77677%0.768SS**  trans59.4171.2155.3-78.4171.87.400118.1
397E30.5Very low36.6Very low174 Ų174136 Ų13681%0.81376%0.762SS**  cis-149.1177.2-31.2177.7160.2152.100108.4
398A34.1Very low36.7Very low83 Ų83134.8 Ų134.869%0.68676%0.756SS**  trans-81.2153.2-166.300000116.6
399T30.1Very low36.5Very low153 Ų153132.2 Ų132.294%0.93975%0.75SS**  trans178.4154.6134.1280000109.2
400G32.3Very low36.4Very low71 Ų71128.3 Ų128.373%0.73274%0.741SS**  cis149.949.7-3.500000114.8
401V31.9Very low36Very low146 Ų146128.2 Ų128.289%0.88574%0.738SS**  trans-133.8137.9177.2-177.60000110.3
402A34.3Very low36Very low95 Ų95129.8 Ų129.879%0.78575%0.745SS**  trans-121135.117600000111
403V32.7Very low36.1Very low137 Ų137130.8 Ų130.883%0.8375%0.752SS**  trans-135.1137.5157-178.70000105.6
404A41.3Very low36.2Very low89 Ų89133 Ų13374%0.73675%0.752SS**  trans-108.1133-177.800000110.6
405E36.7Very low37.1Very low188 Ų188131.5 Ų131.588%0.87975%0.751SS**  trans-134.8138.9160.6-70.3-75.813100106
406D42.7Very low37.9Very low165 Ų165134.4 Ų134.488%0.88276%0.758SS**  trans-81.9130.3-173.6-86.4-62.4000113
407E36.8Very low38.7Very low157 Ų157135.6 Ų135.673%0.73476%0.755SS**  trans-151.586.9161.2-94.1-64.7139.200110.1S409E407-S409 PolarHBondContact O-N 3.33Å; E407-S409 WeakPolarHBondContact OE2-CB 3.3Å; E407-S409 PolarHBondContact OE2-OG 3.37Å
408D42.5Very low39.7Very low129 Ų129129.9 Ų129.969%0.6973%0.734SS**  trans-74.263.2164.8-175.730.6000109.5G410 K411D408-G410 VanDerWaalsContact C-N 3.34Å; D408-G410 PolarHBondContact O-N 3.39Å; D408-K411 IonicContact OD1-NZ 3.85Å; D408-K411 PolarHBondContact OD1-NZ 2.85Å; D408-K411 IonicContact OD2-NZ 2.68Å; D408-K411 PolarHBondContact OD2-NZ 2.9Å; D408-K411 VanDerWaalsContact OD2-NZ 3.1Å
409S35.8Very low40.9Very low97 Ų97137.9 Ų137.968%0.67875%0.747SS**  trans-7683.2-168.7-1380000111.6E407E407-S409 PolarHBondContact O-N 3.33Å; E407-S409 WeakPolarHBondContact OE2-CB 3.3Å; E407-S409 PolarHBondContact OE2-OG 3.37Å
410G38.8Very low42.4Very low53 Ų53136.4 Ų136.455%0.54673%0.729SS.*  trans74.979.5155.600000115.9D408 I412D408-G410 VanDerWaalsContact C-N 3.34Å; D408-G410 PolarHBondContact O-N 3.39Å; G410-I412 VanDerWaalsContact C-N 3.26Å; G410-I412 WeakPolarHBondContact O-CG1 3.49Å; G410-I412 PolarHBondContact O-N 3.39Å
411K36.7Very low43.8Very low161 Ų161139.5 Ų139.570%0.772%0.723SS**  trans-60.694.1147.9-65.6175.8-168.972.50108D408 Q413D408-K411 IonicContact OD1-NZ 3.85Å; D408-K411 PolarHBondContact OD1-NZ 2.85Å; D408-K411 IonicContact OD2-NZ 2.68Å; D408-K411 PolarHBondContact OD2-NZ 2.9Å; D408-K411 VanDerWaalsContact OD2-NZ 3.1Å; K411-Q413 VanDerWaalsContact C-N 3.31Å; K411-Q413 PolarHBondContact O-N 3.49Å
412I37.3Very low45.4Very low143 Ų143138.8 Ų138.873%0.73371%0.713SS**  trans-64.990.2-177.2-55.9178.6000109.4G410 K414G410-I412 VanDerWaalsContact C-N 3.26Å; G410-I412 WeakPolarHBondContact O-CG1 3.49Å; G410-I412 PolarHBondContact O-N 3.39Å; I412-K414 HydrophobicContact CG2-CG 4.42Å; I412-K414 PolarHBondContact O-N 2.88Å; I412-K414 VanDerWaalsContact O-N 3.08Å
413Q42.7Very low47Very low167 Ų167139.2 Ų139.278%0.7870%0.701SS**  trans-59.7111.6159.3-74.8-171.8-30.800107.1K411 S415K411-Q413 VanDerWaalsContact C-N 3.31Å; K411-Q413 PolarHBondContact O-N 3.49Å; Q413-S415 PolarHBondContact O-N 3.48Å; Q413-S415 PolarHBondContact O-OG 2.85Å
414K36.8Very low48.7Very low158 Ų158134.4 Ų134.469%0.68767%0.671SS**  trans-72.476.1176.2-69.8177.5178175.30109.1I412 Y416I412-K414 HydrophobicContact CG2-CG 4.42Å; I412-K414 PolarHBondContact O-N 2.88Å; I412-K414 VanDerWaalsContact O-N 3.08Å; K414-Y416 HydrophobicContact CB-CD2 4.33Å; K414-Y416 HydrophobicContact CB-CE2 3.77Å; K414-Y416 WeakPolarHBondContact O-CD2 3.41Å; K414-Y416 PolarHBondContact O-N 3.35Å; K414-Y416 VanDerWaalsContact O-N 3.12Å
415S52.6Low50.1Low92 Ų92134.2 Ų134.264%0.64366%0.657SS**  trans-76.591.9178.6-62.80000109.4Q413 W417Q413-S415 PolarHBondContact O-N 3.48Å; Q413-S415 PolarHBondContact O-OG 2.85Å; S415-W417 PolarHBondContact O-N 3.36Å
416Y54.4Low51.7Low199 Ų199130.2 Ų130.278%0.7864%0.641SS**  trans-70.116179.9-74.7-83.7000114.8K414K414-Y416 HydrophobicContact CB-CD2 4.33Å; K414-Y416 HydrophobicContact CB-CE2 3.77Å; K414-Y416 WeakPolarHBondContact O-CD2 3.41Å; K414-Y416 PolarHBondContact O-N 3.35Å; K414-Y416 VanDerWaalsContact O-N 3.12Å
417W51.8Low53.1Low190 Ų190125.2 Ų125.272%0.7262%0.623SS**SBendtrans-138.5158.5-175.3-74.289.9000111.2S415 D424S415-W417 PolarHBondContact O-N 3.36Å; W417-D424 HydrophobicContact CE3-CB 4.09Å; W417-D424 HydrophobicContact CZ3-CB 4.22Å
418S52.2Low54.8Low54 Ų54121.6 Ų121.638%0.37861%0.611SS.*  trans-71.1158.3-170.883.20000112.2H420 D424S418-H420 PolarHBondContact O-N 2.95Å; S418-H420 PolarHBondContact OG-N 3.46Å; S418-H420 PolarHBondContact OG-O 2.97Å; S418-D424 PolarHBondContact OG-OD1 2.85Å
419R59.5Low56.1Low251 Ų251117.2 Ų117.295%0.94759%0.593SS**SBendtrans-67.83.2169.8-85.4-176.4168.4175.8-3.6113.6
420H60.5Low58Low122 Ų122117.8 Ų117.857%0.56559%0.588SS**  trans-126.782.6-168.5-60.1109.7000111.9S418 L422 I423S418-H420 PolarHBondContact O-N 2.95Å; S418-H420 PolarHBondContact OG-N 3.46Å; S418-H420 PolarHBondContact OG-O 2.97Å; H420-L422 PolarHBondContact O-N 3.44Å; H420-I423 HydrophobicContact CB-CD1 3.95Å; H420-I423 HydrophobicContact CB-CG1 4.18Å; H420-I423 PolarHBondContact O-N 3.46Å
421F62.7Low59.4Low136 Ų136119.5 Ų119.560%0.59659%0.589SS**Hα-helixtrans-41.3-33.6175.7171.1-101000115.2I423 L425F421-I423 PolarHBondContact O-N 3.36Å; F421-L425 HydrophobicContact CE1-CD2 3.96Å; F421-L425 HydrophobicContact CZ-CD2 4.24Å; F421-L425 WeakPolarHBondContact O-CB 3.36Å; F421-L425 PolarHBondContact O-N 3.1Å
422L63.9Low60.9Low132 Ų132114.9 Ų114.969%0.69157%0.574SS**Hα-helixtrans-65.3-33.8177.8-67.2173.3000113.6H420 L426H420-L422 PolarHBondContact O-N 3.44Å; L422-L426 WeakPolarHBondContact O-CB 3.47Å; L422-L426 PolarHBondContact O-N 3.26Å
423I68.4Low62.7Low104 Ų104112.6 Ų112.653%0.53357%0.567SS.*Hα-helixtrans-73.1-45.5179.1-64.2176.9000109.5H420 F421 L425 L426 A427H420-I423 HydrophobicContact CB-CD1 3.95Å; H420-I423 HydrophobicContact CB-CG1 4.18Å; H420-I423 PolarHBondContact O-N 3.46Å; F421-I423 PolarHBondContact O-N 3.36Å; I423-L425 VanDerWaalsContact C-N 3.34Å; I423-L425 PolarHBondContact O-N 2.95Å; I423-L426 PolarHBondContact O-N 2.89Å; I423-A427 WeakPolarHBondContact O-CB 3.44Å; I423-A427 PolarHBondContact O-N 3.39Å
424D68.8Low63.9Low36 Ų36108.6 Ų108.619%0.19356%0.555CS.*Hα-helixtrans-64.3-40.5178.2-52.2-5.7000110.7W417 S418 V428W417-D424 HydrophobicContact CE3-CB 4.09Å; W417-D424 HydrophobicContact CZ3-CB 4.22Å; S418-D424 PolarHBondContact OG-OD1 2.85Å; D424-V428 WeakPolarHBondContact O-CG2 3.46Å; D424-V428 PolarHBondContact O-N 3.18Å
425L71.3Confident65.3Low85 Ų85105 Ų10545%0.44555%0.547SS..Hα-helixtrans-64.8-41.7172.6-179.762.6000112.1F421 I423 V428 A429F421-L425 HydrophobicContact CE1-CD2 3.96Å; F421-L425 HydrophobicContact CZ-CD2 4.24Å; F421-L425 WeakPolarHBondContact O-CB 3.36Å; F421-L425 PolarHBondContact O-N 3.1Å; I423-L425 VanDerWaalsContact C-N 3.34Å; I423-L425 PolarHBondContact O-N 2.95Å; L425-V428 PolarHBondContact O-N 3.25Å; L425-A429 VanDerWaalsContact O-CB 3.25Å; L425-A429 WeakPolarHBondContact O-CB 3.42Å; L425-A429 PolarHBondContact O-N 3.19Å
426L69.3Low66.2Low103 Ų103103.4 Ų103.454%0.53953%0.532SS..Hα-helixtrans-66.5-40178.4-172.869.9000111.6L422 I423 V428 A429 I430L422-L426 WeakPolarHBondContact O-CB 3.47Å; L422-L426 PolarHBondContact O-N 3.26Å; I423-L426 PolarHBondContact O-N 2.89Å; L426-V428 VanDerWaalsContact C-N 3.29Å; L426-V428 PolarHBondContact O-N 3.37Å; L426-A429 PolarHBondContact O-N 3.05Å; L426-A429 VanDerWaalsContact O-N 3.12Å; L426-I430 HydrophobicContact CD1-CD1 4.35Å; L426-I430 HydrophobicContact CD1-CG1 4.23Å; L426-I430 HydrophobicContact CD2-CD1 4.32Å; L426-I430 HydrophobicContact CG-CD1 3.82Å; L426-I430 HydrophobicContact CG-CG1 4.17Å; L426-I430 VanDerWaalsContact O-CG1 3.31Å; L426-I430 WeakPolarHBondContact O-CG1 3.47Å; L426-I430 PolarHBondContact O-N 3.12Å
427A71.6Confident67Low61 Ų6196.2 Ų96.250%0.50451%0.514SS..Hα-helixtrans-60.5-37.2175.500000112.4I423 P431I423-A427 WeakPolarHBondContact O-CB 3.44Å; I423-A427 PolarHBondContact O-N 3.39Å; A427-P431 VanDerWaalsContact O-CD 3.25Å; A427-P431 WeakPolarHBondContact O-CD 3.39Å
428V73.4Confident68Low81 Ų8196.9 Ų96.949%0.49152%0.517SS..Hα-helixtrans-77.9-30.6173.3176.60000112.2D424 L425 L426 V432D424-V428 WeakPolarHBondContact O-CG2 3.46Å; D424-V428 PolarHBondContact O-N 3.18Å; L425-V428 PolarHBondContact O-N 3.25Å; L426-V428 VanDerWaalsContact C-N 3.29Å; L426-V428 PolarHBondContact O-N 3.37Å; V428-V432 WeakPolarHBondContact O-CG2 3.48Å
429A69.5Low68.8Low37 Ų3799.3 Ų99.331%0.30653%0.525SS..Hα-helixtrans-77.2-38.8-178.400000113.7L425 L426 V432 V433L425-A429 VanDerWaalsContact O-CB 3.25Å; L425-A429 WeakPolarHBondContact O-CB 3.42Å; L425-A429 PolarHBondContact O-N 3.19Å; L426-A429 PolarHBondContact O-N 3.05Å; L426-A429 VanDerWaalsContact O-N 3.12Å; A429-V432 WeakPolarHBondContact O-CA 3.45Å; A429-V432 WeakPolarHBondContact O-CB 3.1Å; A429-V432 PolarHBondContact O-N 2.97Å; A429-V433 PolarHBondContact O-N 3.37Å
430I75.8Confident69.1Low109 Ų10992.2 Ų92.256%0.55951%0.513SS*.THydrogen-bonded Turntrans-52.8-47.4-175.7-76.5164.2000112.6L426 V432 P434L426-I430 HydrophobicContact CD1-CD1 4.35Å; L426-I430 HydrophobicContact CD1-CG1 4.23Å; L426-I430 HydrophobicContact CD2-CD1 4.32Å; L426-I430 HydrophobicContact CG-CD1 3.82Å; L426-I430 HydrophobicContact CG-CG1 4.17Å; L426-I430 VanDerWaalsContact O-CG1 3.31Å; L426-I430 WeakPolarHBondContact O-CG1 3.47Å; L426-I430 PolarHBondContact O-N 3.12Å; I430-V432 PolarHBondContact O-N 3.37Å; I430-P434 VanDerWaalsContact O-CD 3.26Å; I430-P434 WeakPolarHBondContact O-CD 3.49Å
431P67.4Low69.4Low89 Ų8996.7 Ų96.758%0.57853%0.525SS*.THydrogen-bonded Turntrans-68.6-18.6175.7-20.734.1000114.5A427A427-P431 VanDerWaalsContact O-CD 3.25Å; A427-P431 WeakPolarHBondContact O-CD 3.39Å
432V69.5Low69.2Low63 Ų6392.3 Ų92.338%0.38252%0.517SS..Hα-helixtrans-92.7-27.6-174.9178.20000112.1V428 A429 I430 T435 V436V428-V432 WeakPolarHBondContact O-CG2 3.48Å; A429-V432 WeakPolarHBondContact O-CA 3.45Å; A429-V432 WeakPolarHBondContact O-CB 3.1Å; A429-V432 PolarHBondContact O-N 2.97Å; I430-V432 PolarHBondContact O-N 3.37Å; V432-T435 PolarHBondContact O-N 2.78Å; V432-T435 PolarHBondContact O-OG1 3.23Å; V432-V436 HydrophobicContact CG1-CG2 3.8Å; V432-V436 WeakPolarHBondContact O-CG2 3.3Å; V432-V436 PolarHBondContact O-N 2.89Å
433V75.3Confident68.6Low96 Ų9691.9 Ų91.958%0.58252%0.523SS*.Hα-helixtrans-55.6-46177.8175.30000112.8A429 T435 V436 A437A429-V433 PolarHBondContact O-N 3.37Å; V433-T435 PolarHBondContact O-N 2.93Å; V433-V436 PolarHBondContact O-N 3.26Å; V433-A437 VanDerWaalsContact O-CB 3.24Å; V433-A437 WeakPolarHBondContact O-CB 3.43Å; V433-A437 PolarHBondContact O-N 3.35Å
434P68Low68.1Low83 Ų8393.9 Ų93.954%0.53954%0.54SS..Hα-helixtrans-62.4-42.1179.2-23.934.8000113.5I430 A437 W438I430-P434 VanDerWaalsContact O-CD 3.26Å; I430-P434 WeakPolarHBondContact O-CD 3.49Å; P434-A437 PolarHBondContact O-N 2.85Å; P434-W438 WeakPolarHBondContact O-CB 3.36Å; P434-W438 PolarHBondContact O-N 3.49Å
435T66.3Low67.2Low83 Ų83103.7 Ų103.751%0.50957%0.574SS.*Hα-helixtrans-71.3-33.5-17953.90000112.4V432 V433 L439V432-T435 PolarHBondContact O-N 2.78Å; V432-T435 PolarHBondContact O-OG1 3.23Å; V433-T435 PolarHBondContact O-N 2.93Å; T435-L439 VanDerWaalsContact O-CB 3.3Å; T435-L439 WeakPolarHBondContact O-CB 3.35Å; T435-L439 PolarHBondContact O-N 3.27Å; T435-L439 VanDerWaalsContact O-N 3.1Å
436V70.3Confident66.4Low57 Ų57103.4 Ų103.435%0.34559%0.591SS.*Hα-helixtrans-71.9-43.1171.81750000111.4V432 V433 W438 L439 C440V432-V436 HydrophobicContact CG1-CG2 3.8Å; V432-V436 WeakPolarHBondContact O-CG2 3.3Å; V432-V436 PolarHBondContact O-N 2.89Å; V433-V436 PolarHBondContact O-N 3.26Å; V436-W438 VanDerWaalsContact C-N 3.3Å; V436-W438 PolarHBondContact O-N 2.97Å; V436-L439 PolarHBondContact O-N 3.46Å; V436-C440 WeakPolarHBondContact O-CB 3.5Å; V436-C440 PolarHBondContact O-N 2.86Å; V436-C440 PolarHBondContact O-SG 3.49Å; V436-C440 VanDerWaalsContact O-SG 3.32Å
437A72.4Confident65.3Low48 Ų48101.9 Ų101.940%0.39760%0.6SS.*Hα-helixtrans-63.2-35178.400000112.8V433 P434 R441V433-A437 VanDerWaalsContact O-CB 3.24Å; V433-A437 WeakPolarHBondContact O-CB 3.43Å; V433-A437 PolarHBondContact O-N 3.35Å; P434-A437 PolarHBondContact O-N 2.85Å; A437-R441 PolarHBondContact O-N 2.87Å
438W72.6Confident63.8Low205 Ų205107.8 Ų107.878%0.77762%0.618SS**Hα-helixtrans-68.5-48.7172.1-175.585.6000111.8P434 V436 C440 R441 G442P434-W438 WeakPolarHBondContact O-CB 3.36Å; P434-W438 PolarHBondContact O-N 3.49Å; V436-W438 VanDerWaalsContact C-N 3.3Å; V436-W438 PolarHBondContact O-N 2.97Å; W438-C440 VanDerWaalsContact C-N 3.25Å; W438-C440 PolarHBondContact O-N 3.48Å; W438-R441 PolarHBondContact O-N 3.3Å; W438-G442 PolarHBondContact O-N 3.13Å; W438-G442 VanDerWaalsContact O-N 3.16Å
439L68.8Low62.7Low104 Ų104108 Ų10855%0.54562%0.621SS.*Hα-helixtrans-59.8-34.2178.1-173.665.6000112.6T435 V436 R441T435-L439 VanDerWaalsContact O-CB 3.3Å; T435-L439 WeakPolarHBondContact O-CB 3.35Å; T435-L439 PolarHBondContact O-N 3.27Å; T435-L439 VanDerWaalsContact O-N 3.1Å; V436-L439 PolarHBondContact O-N 3.46Å; L439-R441 VanDerWaalsContact C-N 3.3Å; L439-R441 PolarHBondContact O-N 2.9Å
440C65.7Low61.4Low102 Ų102115.4 Ų115.469%0.68965%0.651SS**THydrogen-bonded Turntrans-81.10.3176-66.40000114.6V436 W438V436-C440 WeakPolarHBondContact O-CB 3.5Å; V436-C440 PolarHBondContact O-N 2.86Å; V436-C440 PolarHBondContact O-SG 3.49Å; V436-C440 VanDerWaalsContact O-SG 3.32Å; W438-C440 VanDerWaalsContact C-N 3.25Å; W438-C440 PolarHBondContact O-N 3.48Å
441R66.4Low60.6Low217 Ų217117.6 Ų117.682%0.81965%0.654SS**THydrogen-bonded Turntrans-119.7-12.1177.6-90.7-170.4157.194.3-0.6115.1A437 W438 L439 P443A437-R441 PolarHBondContact O-N 2.87Å; W438-R441 PolarHBondContact O-N 3.3Å; L439-R441 VanDerWaalsContact C-N 3.3Å; L439-R441 PolarHBondContact O-N 2.9Å; R441-P443 WeakPolarHBondContact O-CD 3.27Å
442G59.1Low59.9Low43 Ų43119.8 Ų119.844%0.44366%0.656SS.*SBendtrans-75.5125.4175.300000112.6W438 V444W438-G442 PolarHBondContact O-N 3.13Å; W438-G442 VanDerWaalsContact O-N 3.16Å; G442-V444 PolarHBondContact O-N 3.18Å
443P51.3Low59.4Low124 Ų124124.8 Ų124.881%0.80567%0.673SS**  trans-60.1132.1168.2-22.434.2000110.8R441 R445R441-P443 WeakPolarHBondContact O-CD 3.27Å; P443-R445 PolarHBondContact O-N 3.46Å
444V58.3Low58.8Low146 Ų146122.5 Ų122.589%0.88567%0.669SS**  trans-72.987.8-173.3-175.60000111.1G442 G446G442-V444 PolarHBondContact O-N 3.18Å; V444-G446 PolarHBondContact O-N 3.17Å
445R48.5Very low58.6Low241 Ų241120.6 Ų120.691%0.90966%0.657SS**  trans-82.2104.6158.3-86.6-171.8155.9131.4-1.5108.7P443 G447P443-R445 PolarHBondContact O-N 3.46Å; R445-G447 PolarHBondContact O-N 2.8Å
446G55.1Low58.5Low79 Ų79121.3 Ų121.381%0.81466%0.657SS**  trans-66.5123.6173.400000111V444V444-G446 PolarHBondContact O-N 3.17Å
447G45.7Very low58.4Low71 Ų71123.2 Ų123.273%0.73267%0.665SS**  trans179.782.9-177.600000112.6R445R445-G447 PolarHBondContact O-N 2.8Å
448Q41.4Very low58.2Low186 Ų186127.3 Ų127.387%0.86967%0.67SS**  trans64.5143.7179.2-70.9-74.4-35.400116.7
449P49.5Very low58.3Low85 Ų85119 Ų11955%0.55265%0.649SS**  trans-95.1105.5-173.135.1-31.3000112.9Y451P449-Y451 HydrophobicContact CB-CD2 3.83Å; P449-Y451 HydrophobicContact CB-CE2 3.84Å; P449-Y451 PolarHBondContact O-N 3.08Å
450M42.4Very low58.1Low192 Ų192118.1 Ų118.195%0.94665%0.65SS**  trans-78.566.2173.7-150.7-171.792.700112.8
451Y59.7Low58.2Low155 Ų155115.9 Ų115.961%0.60864%0.635SS**  trans-86.3144.5157-58.4-54.1000107.3P449P449-Y451 HydrophobicContact CB-CD2 3.83Å; P449-Y451 HydrophobicContact CB-CE2 3.84Å; P449-Y451 PolarHBondContact O-N 3.08Å
452H52.7Low58.2Low135 Ų135109.8 Ų109.863%0.62562%0.622SS**SBend-139.7-20.260.4-82.8-83.6000117.4G454 S455 L456H452-G454 PolarHBondContact O-N 3.16Å; H452-S455 WeakPolarHBondContact CA-OG 3.37Å; H452-S455 PolarHBondContact O-N 3.25Å; H452-S455 PolarHBondContact O-OG 3.39Å; H452-L456 HydrophobicContact CB-CD1 3.91Å; H452-L456 HydrophobicContact CB-CG 4.47Å; H452-L456 WeakPolarHBondContact O-CB 3.28Å; H452-L456 WeakPolarHBondContact O-CG 3.49Å; H452-L456 PolarHBondContact O-N 3.42Å
453F57.8Low58.6Low169 Ų169112.1 Ų112.174%0.74163%0.627SS**Hα-helixtrans-61.7-49.7-169.4-121.3-86.3000113.2S455 L456 L457F453-S455 VanDerWaalsContact C-N 3.33Å; F453-S455 PolarHBondContact O-N 3.38Å; F453-L456 PolarHBondContact O-N 2.87Å; F453-L457 HydrophobicContact CD1-CD1 3.92Å; F453-L457 HydrophobicContact CE1-CD1 4.23Å; F453-L457 PolarHBondContact O-N 3.49Å
454G62.6Low59.4Low48 Ų48108.6 Ų108.650%0.49561%0.608SS.*Hα-helixtrans-65.3-31.7178.800000114.1H452 R458H452-G454 PolarHBondContact O-N 3.16Å; G454-R458 WeakPolarHBondContact O-CD 3.25Å; G454-R458 VanDerWaalsContact O-CG 3.24Å; G454-R458 WeakPolarHBondContact O-CG 3.41Å; G454-R458 PolarHBondContact O-N 2.89Å
455S63.9Low59.7Low42 Ų42106.1 Ų106.129%0.29459%0.59SS.*Hα-helixtrans-76.2-36.7174.141.70000112.8H452 F453 R458 G459H452-S455 WeakPolarHBondContact CA-OG 3.37Å; H452-S455 PolarHBondContact O-N 3.25Å; H452-S455 PolarHBondContact O-OG 3.39Å; F453-S455 VanDerWaalsContact C-N 3.33Å; F453-S455 PolarHBondContact O-N 3.38Å; S455-R458 PolarHBondContact O-N 2.98Å; S455-G459 PolarHBondContact O-N 2.88Å
456L63.7Low60.4Low98 Ų9899.5 Ų99.551%0.51357%0.569SS.*Hα-helixtrans-67.3-41.4174.9-81.5165.3000111.1H452 F453 G459 C460H452-L456 HydrophobicContact CB-CD1 3.91Å; H452-L456 HydrophobicContact CB-CG 4.47Å; H452-L456 WeakPolarHBondContact O-CB 3.28Å; H452-L456 WeakPolarHBondContact O-CG 3.49Å; H452-L456 PolarHBondContact O-N 3.42Å; F453-L456 PolarHBondContact O-N 2.87Å; L456-G459 PolarHBondContact O-N 2.97Å; L456-C460 WeakPolarHBondContact O-CB 3.46Å; L456-C460 PolarHBondContact O-N 3.2Å; L456-C460 PolarHBondContact O-SG 2.77Å
457L68.6Low60.5Low97 Ų9799.1 Ų99.151%0.50855%0.554SS.*Hα-helixtrans-60.9-46.8172.3-97.866.3000111.6F453 G459 C460 C461F453-L457 HydrophobicContact CD1-CD1 3.92Å; F453-L457 HydrophobicContact CE1-CD1 4.23Å; F453-L457 PolarHBondContact O-N 3.49Å; L457-G459 VanDerWaalsContact C-N 3.28Å; L457-G459 PolarHBondContact O-N 3.47Å; L457-C460 PolarHBondContact O-N 3.5Å; L457-C461 WeakPolarHBondContact O-CB 3.36Å; L457-C461 PolarHBondContact O-N 2.84Å; L457-C461 PolarHBondContact O-SG 3.29Å
458R69Low61.1Low135 Ų135101.8 Ų101.851%0.50955%0.551SS.*Hα-helixtrans-57.9-39.3175.5-73.7169.7-177174.72.1112.2G454 S455 T462G454-R458 WeakPolarHBondContact O-CD 3.25Å; G454-R458 VanDerWaalsContact O-CG 3.24Å; G454-R458 WeakPolarHBondContact O-CG 3.41Å; G454-R458 PolarHBondContact O-N 2.89Å; S455-R458 PolarHBondContact O-N 2.98Å; R458-T462 WeakPolarHBondContact O-CB 3.4Å; R458-T462 WeakPolarHBondContact O-CG2 3.49Å; R458-T462 PolarHBondContact O-N 3.4Å; R458-T462 PolarHBondContact O-OG1 3.49Å
459G74.1Confident61.8Low31 Ų31103.6 Ų103.632%0.3255%0.55SS..Hα-helixtrans-65.9-55.4173.100000113.2S455 L456 L457 C461 T462 V463S455-G459 PolarHBondContact O-N 2.88Å; L456-G459 PolarHBondContact O-N 2.97Å; L457-G459 VanDerWaalsContact C-N 3.28Å; L457-G459 PolarHBondContact O-N 3.47Å; G459-C461 PolarHBondContact O-N 2.82Å; G459-T462 PolarHBondContact O-N 2.82Å; G459-T462 PolarHBondContact O-OG1 2.92Å; G459-V463 WeakPolarHBondContact O-CB 3.47Å; G459-V463 WeakPolarHBondContact O-CG2 3.44Å; G459-V463 PolarHBondContact O-N 3.32Å
460C65.6Low62.2Low84 Ų84108.7 Ų108.757%0.56856%0.558SS**Hα-helixtrans-60.6-42.8-178.3-73.20000112.7L456 L457 V463 A464L456-C460 WeakPolarHBondContact O-CB 3.46Å; L456-C460 PolarHBondContact O-N 3.2Å; L456-C460 PolarHBondContact O-SG 2.77Å; L457-C460 PolarHBondContact O-N 3.5Å; C460-V463 PolarHBondContact O-N 2.8Å; C460-A464 VanDerWaalsContact O-CB 3.24Å; C460-A464 WeakPolarHBondContact O-CB 3.34Å; C460-A464 PolarHBondContact O-N 3.09Å
461C66.4Low62.5Low55 Ų55102.7 Ų102.737%0.37255%0.546SS..Hα-helixtrans-65.1-41.8178-66.40000112.2L457 G459 L465L457-C461 WeakPolarHBondContact O-CB 3.36Å; L457-C461 PolarHBondContact O-N 2.84Å; L457-C461 PolarHBondContact O-SG 3.29Å; G459-C461 PolarHBondContact O-N 2.82Å; C461-L465 WeakPolarHBondContact O-CB 3.43Å; C461-L465 VanDerWaalsContact O-CG 3.29Å; C461-L465 WeakPolarHBondContact O-CG 3.36Å; C461-L465 PolarHBondContact O-N 2.94Å
462T66.9Low62.3Low90 Ų9098.9 Ų98.955%0.55255%0.553SS**Hα-helixtrans-70.7-37.6178.150.60000112.4R458 G459 H466R458-T462 WeakPolarHBondContact O-CB 3.4Å; R458-T462 WeakPolarHBondContact O-CG2 3.49Å; R458-T462 PolarHBondContact O-N 3.4Å; R458-T462 PolarHBondContact O-OG1 3.49Å; G459-T462 PolarHBondContact O-N 2.82Å; G459-T462 PolarHBondContact O-OG1 2.92Å; T462-H466 WeakPolarHBondContact O-CB 3.22Å; T462-H466 PolarHBondContact O-N 3.3Å
463V68.4Low62.1Low91 Ų9194.7 Ų94.755%0.55255%0.547SS*.Hα-helixtrans-66.6-42.8173.8171.30000111.5G459 C460 H466 S467G459-V463 WeakPolarHBondContact O-CB 3.47Å; G459-V463 WeakPolarHBondContact O-CG2 3.44Å; G459-V463 PolarHBondContact O-N 3.32Å; C460-V463 PolarHBondContact O-N 2.8Å; V463-H466 PolarHBondContact O-N 2.72Å; V463-S467 WeakPolarHBondContact O-CB 3.46Å; V463-S467 PolarHBondContact O-N 2.86Å; V463-S467 PolarHBondContact O-OG 3.23Å
464A68.3Low61.7Low50 Ų5094.1 Ų94.141%0.41355%0.55SS.*Hα-helixtrans-60.5-46.517600000111.8C460 H466 S467 L468C460-A464 VanDerWaalsContact O-CB 3.24Å; C460-A464 WeakPolarHBondContact O-CB 3.34Å; C460-A464 PolarHBondContact O-N 3.09Å; A464-H466 VanDerWaalsContact C-N 3.35Å; A464-H466 PolarHBondContact O-N 2.74Å; A464-S467 PolarHBondContact O-N 2.84Å; A464-L468 WeakPolarHBondContact O-CG 3.39Å; A464-L468 PolarHBondContact O-N 2.77Å
465L64.8Low60.9Low95 Ų95102.2 Ų102.250%0.49757%0.566SS.*Hα-helixtrans-62-38.8175.3-72.4168.4000112.5C461 R469C461-L465 WeakPolarHBondContact O-CB 3.43Å; C461-L465 VanDerWaalsContact O-CG 3.29Å; C461-L465 WeakPolarHBondContact O-CG 3.36Å; C461-L465 PolarHBondContact O-N 2.94Å; L465-R469 WeakPolarHBondContact O-CB 3.38Å; L465-R469 PolarHBondContact O-N 2.92Å; L465-R469 VanDerWaalsContact O-N 3.08Å
466H61.8Low59.9Low101 Ų101108.1 Ų108.147%0.46859%0.589SS.*Hα-helixtrans-68.1-38.8175.2178.2-98.9000112.5T462 V463 A464 R469 R470T462-H466 WeakPolarHBondContact O-CB 3.22Å; T462-H466 PolarHBondContact O-N 3.3Å; V463-H466 PolarHBondContact O-N 2.72Å; A464-H466 VanDerWaalsContact C-N 3.35Å; A464-H466 PolarHBondContact O-N 2.74Å; H466-R469 PolarHBondContact O-N 3.1Å; H466-R470 PolarHBondContact CE1-NE 2.71Å; H466-R470 PolarHBondContact NE2-NE 3.49Å; H466-R470 VanDerWaalsContact NE2-NE 3.13Å; H466-R470 PolarHBondContact O-N 2.81Å; H466-R470 VanDerWaalsContact O-N 3.14Å
467S57.7Low58.7Low71 Ų71113.2 Ų113.250%0.49760%0.603SS.*Hα-helixtrans-63.7-45.5175-68.90000111.9V463 A464 R469 R470 G471V463-S467 WeakPolarHBondContact O-CB 3.46Å; V463-S467 PolarHBondContact O-N 2.86Å; V463-S467 PolarHBondContact O-OG 3.23Å; A464-S467 PolarHBondContact O-N 2.84Å; S467-R469 VanDerWaalsContact C-N 3.28Å; S467-R469 PolarHBondContact O-N 2.84Å; S467-R470 PolarHBondContact O-N 2.95Å; S467-R470 VanDerWaalsContact O-N 3.17Å; S467-G471 PolarHBondContact O-N 3.18Å
468L57.7Low58.1Low127 Ų127114.2 Ų114.267%0.66562%0.615SS**Hα-helixtrans-57.6-41.8173.1-70.8167.3000111.5A464 R470 G471 G472A464-L468 WeakPolarHBondContact O-CG 3.39Å; A464-L468 PolarHBondContact O-N 2.77Å; L468-R470 VanDerWaalsContact C-N 3.29Å; L468-R470 PolarHBondContact O-N 2.8Å; L468-G471 PolarHBondContact O-N 2.63Å; L468-G472 PolarHBondContact O-N 3.42Å
469R57.4Low56.9Low225 Ų225113 Ų11385%0.84963%0.634SS**Hα-helixtrans-68.7-20.4179.5-156.9174.2-165.21736.2114.4L465 H466 S467L465-R469 WeakPolarHBondContact O-CB 3.38Å; L465-R469 PolarHBondContact O-N 2.92Å; L465-R469 VanDerWaalsContact O-N 3.08Å; H466-R469 PolarHBondContact O-N 3.1Å; S467-R469 VanDerWaalsContact C-N 3.28Å; S467-R469 PolarHBondContact O-N 2.84Å
470R56.7Low55.4Low191 Ų191118.7 Ų118.772%0.72169%0.693SS**Hα-helixtrans-96.8-29.1171.2-68.8-165.1-176.7-147.61.6113.5H466 S467 L468 G473H466-R470 PolarHBondContact CE1-NE 2.71Å; H466-R470 PolarHBondContact NE2-NE 3.49Å; H466-R470 VanDerWaalsContact NE2-NE 3.13Å; H466-R470 PolarHBondContact O-N 2.81Å; H466-R470 VanDerWaalsContact O-N 3.14Å; S467-R470 PolarHBondContact O-N 2.95Å; S467-R470 VanDerWaalsContact O-N 3.17Å; L468-R470 VanDerWaalsContact C-N 3.29Å; L468-R470 PolarHBondContact O-N 2.8Å; R470-G473 PolarHBondContact O-N 2.78Å
471G49.9Very low54.9Low67 Ų67120.5 Ų120.569%0.69170%0.699SS**Hα-helixtrans-69.9-27.7-17800000114.7S467 L468 G473S467-G471 PolarHBondContact O-N 3.18Å; L468-G471 PolarHBondContact O-N 2.63Å; G471-G473 VanDerWaalsContact C-N 3.27Å; G471-G473 PolarHBondContact O-N 3.31Å
472G53.7Low54.3Low74 Ų74123.9 Ų123.976%0.76372%0.716SS**THydrogen-bonded Turntrans-77.2-3.2176.300000115.5L468 L474L468-G472 PolarHBondContact O-N 3.42Å; G472-L474 PolarHBondContact O-N 3.33Å
473G49.3Very low53.6Low48 Ų48125.8 Ų125.850%0.49573%0.725SS.*  trans-85.8100.9-176.500000112.9R470 G471 R475R470-G473 PolarHBondContact O-N 2.78Å; G471-G473 VanDerWaalsContact C-N 3.27Å; G471-G473 PolarHBondContact O-N 3.31Å; G473-R475 PolarHBondContact O-N 2.81Å
474L49Very low52.7Low156 Ų156127.8 Ų127.882%0.81774%0.735SS**  trans-55.399174.2179.765.2000111.4G472 H476G472-L474 PolarHBondContact O-N 3.33Å; L474-H476 PolarHBondContact O-N 2.76Å
475R45.2Very low51.7Low218 Ų218132.7 Ų132.782%0.82376%0.755SS**  trans-83.188.4173.7-75.8-71.9177.8-144.9-2.1109.8G473 Y477G473-R475 PolarHBondContact O-N 2.81Å; R475-Y477 PolarHBondContact O-N 2.98Å
476H44.6Very low50.9Low167 Ų167135.2 Ų135.277%0.77377%0.773SS**PPolyproline II helixtrans-53.9118.5161.9-116.6-81000109.2L474L474-H476 PolarHBondContact O-N 2.76Å
477Y38.5Very low50.1Low205 Ų205137.6 Ų137.680%0.80479%0.794SS**PPolyproline II helixtrans-83.8129158.4-82.9-93.8000107.7R475R475-Y477 PolarHBondContact O-N 2.98Å
478P54.9Low49.5Very low117 Ų117142.8 Ų142.876%0.7682%0.817SS**PPolyproline II helixtrans-70.1138.8161.931.1-31.8000108.7
479A44Very low48.8Very low110 Ų110144.1 Ų144.191%0.90983%0.83SS**PPolyproline II helixtrans-75.2145.6169.700000110.3
480G42.7Very low48Very low151 Ų151136.7 Ų136.7100%1.55783%0.828SS**  trans-166.90176.600000110.1

Retrieved 480 of 480 residues in 138.9 ms (Link to these results)