A0A060XBZ8_ONCMY Loading...

Phospholipid phosphatase 7 (inactive)

AlphaFold DB , UniProt , Accession A0A060XBZ8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523616, Length 288 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
1M44.9Very low37Very low235 Ų235154.9 Ų154.9100%1.15886%0.859SS**  01130-64.7-55.6-174.100107
2P35.9Very low37.3Very low135 Ų135161.8 Ų161.888%0.87786%0.863SS**  -120.1-173.985.237.4-32.9000113.5
3A34.6Very low37.6Very low98 Ų98160.2 Ų160.281%0.8185%0.854SS**  trans-110.6170-161.600000115.5
4I40.6Very low37.9Very low155 Ų155165.3 Ų165.380%0.79586%0.856SS**PPolyproline II helixtrans-79.3136.5-173.8-59.1161.4000111.6
5P36.2Very low38.1Very low121 Ų121164.1 Ų164.179%0.78685%0.851SS**PPolyproline II helixtrans-75.2122.7165.430.8-32.5000110.8
6S32.7Very low38.7Very low119 Ų119159.9 Ų159.983%0.83283%0.83SS**PPolyproline II helixtrans-88.7125.8-175.150.60000112.8
7S33.3Very low39.6Very low120 Ų120156.4 Ų156.484%0.83982%0.817SS**  trans-101115.6174.754.80000111.5
8R34.5Very low40Very low241 Ų241156.3 Ų156.391%0.90982%0.817SS**  trans-141.6161.1170.5-81.2-169.3168.2179.4-3.3111
9S32.9Very low40.2Very low109 Ų109152.3 Ų152.376%0.76280%0.803SS**  trans8130.4172.177.90000121.3
10R41.9Very low40.9Very low250 Ų250151.8 Ų151.894%0.94379%0.79SS**  trans-97.460.1152.6-90.4-169.6173177.5-0.9112.3
11T39.9Very low41.5Very low121 Ų121149.6 Ų149.674%0.74279%0.785SS**  trans-125.55.6-17341.40000115.3
12R40.4Very low41.7Very low238 Ų238144.4 Ų144.490%0.89876%0.758SS**SBendtrans-95.5-26.4-175.6-160.6164.3-178.2136.90.8115.4R14R12-R14 PolarHBondContact O-N 3.19Å
13D41.5Very low42.3Very low141 Ų141143.8 Ų143.875%0.75474%0.742SS**G310 helixtrans-81.4-7.7-174.5-63.3-64.5000115.8N15 N16D13-N15 PolarHBondContact O-N 3.38Å; D13-N16 PolarHBondContact O-N 3.29Å
14R40.7Very low42.9Very low231 Ų231146.4 Ų146.487%0.87274%0.739SS**G310 helixtrans-72.2-3.2-165-155.9163.570.11793115.7R12R12-R14 PolarHBondContact O-N 3.19Å
15N41.7Very low43.3Very low147 Ų147143.7 Ų143.779%0.78673%0.734SS**G310 helixtrans-113.21.2-175.9-77.715.7000115.1D13 V17D13-N15 PolarHBondContact O-N 3.38Å; N15-V17 PolarHBondContact O-N 3.01Å; N15-V17 VanDerWaalsContact O-N 3.08Å
16N48.3Very low43.8Very low98 Ų98144.9 Ų144.952%0.52473%0.733SS.*  trans-79.695.1176.5-168.40.6000111.3D13 L18 S19D13-N16 PolarHBondContact O-N 3.29Å; N16-L18 VanDerWaalsContact C-N 3.28Å; N16-L18 PolarHBondContact O-N 2.98Å; N16-L18 PolarHBondContact OD1-N 3.5Å; N16-S19 WeakPolarHBondContact CB-OG 3.27Å; N16-S19 PolarHBondContact O-N 3.08Å; N16-S19 PolarHBondContact O-OG 3.23Å
17V52.7Low44.1Very low99 Ų99146.8 Ų146.860%0.673%0.734SS**G310 helixtrans-64.2-31.6-176.2-178.90000112.4N15 S19 R20N15-V17 PolarHBondContact O-N 3.01Å; N15-V17 VanDerWaalsContact O-N 3.08Å; V17-S19 PolarHBondContact O-N 3.27Å; V17-R20 PolarHBondContact O-N 3.44Å
18L46.8Very low44.5Very low155 Ų155148.9 Ų148.981%0.81273%0.73SS**G310 helixtrans-65.7-24-177.4-65.3168.4000113.2N16N16-L18 VanDerWaalsContact C-N 3.28Å; N16-L18 PolarHBondContact O-N 2.98Å; N16-L18 PolarHBondContact OD1-N 3.5Å
19S44.1Very low44.5Very low81 Ų81142.9 Ų142.957%0.56672%0.722SS**G310 helixtrans-89.914.4-17935.90000114.9N16 V17N16-S19 WeakPolarHBondContact CB-OG 3.27Å; N16-S19 PolarHBondContact O-N 3.08Å; N16-S19 PolarHBondContact O-OG 3.23Å; V17-S19 PolarHBondContact O-N 3.27Å
20R54.9Low44.7Very low142 Ų142146.3 Ų146.354%0.53673%0.731SS.*  trans-76.4132170.6-88.5-170.7175.5-113.8-0.7111.1V17 E22 F23V17-R20 PolarHBondContact O-N 3.44Å; R20-E22 WeakPolarHBondContact CD-OE1 3.45Å; R20-E22 IonicContact CZ-OE1 3.7Å; R20-E22 IonicContact NE-OE1 3.99Å; R20-E22 IonicContact NH1-OE1 2.68Å; R20-E22 PolarHBondContact NH1-OE1 3.37Å; R20-E22 PolarHBondContact O-N 2.87Å; R20-E22 VanDerWaalsContact O-N 3.13Å; R20-F23 HydrophobicContact CB-CD2 3.99Å; R20-F23 PolarHBondContact O-N 3.31Å
21P52.2Low44.2Very low105 Ų105145.3 Ų145.368%0.68273%0.727SS**G310 helixtrans-60.8-26.8178.525.3-34.3000112.8F23 M24P21-F23 PolarHBondContact O-N 3.11Å; P21-M24 PolarHBondContact O-N 2.92Å
22E50.2Low43.7Very low126 Ų126145.2 Ų145.259%0.58973%0.73SS**G310 helixtrans-58.4-26.6175.1-63.3168.7-95.400114.2R20R20-E22 WeakPolarHBondContact CD-OE1 3.45Å; R20-E22 IonicContact CZ-OE1 3.7Å; R20-E22 IonicContact NE-OE1 3.99Å; R20-E22 IonicContact NH1-OE1 2.68Å; R20-E22 PolarHBondContact NH1-OE1 3.37Å; R20-E22 PolarHBondContact O-N 2.87Å; R20-E22 VanDerWaalsContact O-N 3.13Å
23F48.9Very low43.2Very low123 Ų123139.9 Ų139.954%0.53972%0.724SS.*G310 helixtrans-100-13.3179.9-72.2-90.2000113.2R20 P21 S25R20-F23 HydrophobicContact CB-CD2 3.99Å; R20-F23 PolarHBondContact O-N 3.31Å; P21-F23 PolarHBondContact O-N 3.11Å; F23-S25 VanDerWaalsContact C-N 3.26Å; F23-S25 PolarHBondContact O-N 3.44Å
24M45.7Very low42.6Very low153 Ų153140 Ų14075%0.75472%0.724SS**G310 helixtrans-76.7-12.6-173.5-151.6167.2-173.700113.4P21P21-M24 PolarHBondContact O-N 2.92Å
25S48.9Very low42.1Very low97 Ų97134.2 Ų134.268%0.67872%0.719SS**G310 helixtrans-77.9-17.5-176.2-1650000114.6F23 N27F23-S25 VanDerWaalsContact C-N 3.26Å; F23-S25 PolarHBondContact O-N 3.44Å; S25-N27 PolarHBondContact O-N 2.75Å
26L47.2Very low41.5Very low146 Ų146136.2 Ų136.276%0.76472%0.724SS**G310 helixtrans-76.6-16.7-168.3-89.7161.5000115.8
27N39.7Very low40.6Very low160 Ų160138 Ų13886%0.85674%0.739SS**G310 helixtrans-120.220.5-174.7-8113.6000113.8S25S25-N27 PolarHBondContact O-N 2.75Å
28Q40.4Very low39.5Very low164 Ų164145.4 Ų145.477%0.76676%0.756SS**  trans-109.4116.8-179.7-146.417050.900111.4
29P36Very low38.6Very low115 Ų115141.4 Ų141.475%0.74775%0.752SS**  trans-65.6145174.327.5-33.5000110.4R31P29-R31 PolarHBondContact O-N 3.02Å
30L35.8Very low37.8Very low180 Ų180144.4 Ų144.494%0.94277%0.767SS**  trans-63.295.7-175.5-76.4167.9000111.7C32L30-C32 PolarHBondContact O-N 3.3Å; L30-C32 VanDerWaalsContact O-N 3.09Å
31R32.1Very low36.6Very low230 Ų230142.3 Ų142.387%0.86878%0.78SS**  trans-73.3100.8171.6-157.6175.3-162.5172.65.8108.6P29 V33P29-R31 PolarHBondContact O-N 3.02Å; R31-V33 PolarHBondContact O-N 3.34Å
32C28.6Very low35.5Very low119 Ų119149.3 Ų149.380%0.80479%0.793SS**  trans-62.8122.7176.2-163.50000109.5L30L30-C32 PolarHBondContact O-N 3.3Å; L30-C32 VanDerWaalsContact O-N 3.09Å
33V31.3Very low34.4Very low125 Ų125154.4 Ų154.476%0.75881%0.807SS**  trans-115.5116.21771770000107.6R31R31-V33 PolarHBondContact O-N 3.34Å
34N29.1Very low33.7Very low143 Ų143154.1 Ų154.177%0.76582%0.817SS**  trans-63.3141.2176.6-75-13.9000110.8E36N34-E36 PolarHBondContact O-N 3.02Å
35S30.3Very low32.8Very low110 Ų110150.8 Ų150.877%0.76981%0.814SS**  trans-78.4101.317854.20000111.4
36E28.9Very low32Very low190 Ų190154.9 Ų154.989%0.88882%0.822SS**  trans-84.2111.6166.3-72.6-159.1130.400111.3N34 R38N34-E36 PolarHBondContact O-N 3.02Å; E36-R38 PolarHBondContact O-N 2.94Å
37T29.9Very low31.5Very low135 Ų135152.8 Ų152.883%0.82882%0.818SS**  trans-76.2115.7-179.5-52.10000111G39T37-G39 PolarHBondContact O-N 3.46Å
38R28.4Very low30.9Very low254 Ų254153.5 Ų153.596%0.95881%0.813SS**  trans-67.2100.4172.1-95.8-175.7170.1177.5-2.1111.4E36E36-R38 PolarHBondContact O-N 2.94Å
39G27.8Very low30.4Very low71 Ų71154 Ų15473%0.73282%0.815SS**  trans-111.5137.916900000112.1T37T37-G39 PolarHBondContact O-N 3.46Å
40T27.9Very low29.9Very low144 Ų144155.4 Ų155.488%0.88381%0.812SS**  trans-107.2116.8-175.850.90000112.9
41A28.9Very low29.6Very low98 Ų98151 Ų15181%0.8180%0.802SS**  trans-161.5125.116100000115.6
42R29.4Very low29.4Very low253 Ų253145.1 Ų145.196%0.95580%0.795SS**  trans40140.2140.3-64.9-179173170.7-2.4124
43R28Very low29.4Very low232 Ų232148.3 Ų148.388%0.87580%0.798SS**  trans-76.8162.6166-118.4178.9-173.2174.51.9112.1
44P33.3Very low29.7Very low117 Ų117147.3 Ų147.376%0.7680%0.795SS**  -128.5165.271.517.17000113.2
45A27.5Very low29.5Very low83 Ų83146.7 Ų146.769%0.68680%0.8SS**  57.5132.362.300000113.6
46Q31Very low29.2Very low183 Ų183148.6 Ų148.686%0.85580%0.802SS**  cis-161.4-164.27.1-124.6-173.4-13.300107.3
47P37.5Very low29.9Very low103 Ų103144.7 Ų144.767%0.66979%0.793SS**  cis-132.1163.8-43.238.5-22000116.2
48K26.3Very low29.8Very low174 Ų174147.9 Ų147.976%0.75780%0.798SS**  trans28.6126.7149.3-63-173.6176.1-172.60124.4
49H29.9Very low29.9Very low176 Ų176144.4 Ų144.482%0.81579%0.793SS**  -168.5152.6118.1-117-87.9000110.2
50Q26.9Very low30.5Very low144 Ų144146.1 Ų146.167%0.67379%0.791SS**  cis113.284.5-13.8-160.9179.2-33.600118.6
51A28.2Very low30.6Very low88 Ų88146.1 Ų146.173%0.72779%0.791SS**  trans-169.3112.8158.800000109.5
52S27.7Very low30.5Very low105 Ų105149 Ų14973%0.73479%0.793SS**  52.3105.299.962.30000116.2
53Q29.7Very low30.6Very low186 Ų186142.4 Ų142.487%0.86979%0.786SS**  70.1151.975.8-86.3-160.9-22.200115.6
54P38Very low30.7Very low105 Ų105136.4 Ų136.468%0.68279%0.786SS**  cis-139.5174.7-40.939.5-23.1000113.2
55C23.4Very low30.6Very low129 Ų129138.3 Ų138.387%0.87279%0.789SS**  trans-164.6133152.1-129.70000113.6
56D24.7Very low30.8Very low151 Ų151143.3 Ų143.381%0.80780%0.796SS**  trans-137.9174.3174.3-82.8-55.2000107.1
57P43.3Very low30.9Very low108 Ų108140.8 Ų140.870%0.70179%0.788SS**  cis-132.5176.5-46.138.8-24.9000111.5
58Q28.9Very low30.7Very low201 Ų201147.7 Ų147.794%0.93980%0.801SS**  trans-155.5145.3150-120.4164.4-1.100112.8
59E29.8Very low31.1Very low181 Ų181148.4 Ų148.485%0.84680%0.804SS**  trans-102.7-156.3-167-59.1-178.1113.600112.3
60P40.2Very low31.3Very low108 Ų108148.6 Ų148.670%0.70181%0.805SS**  -124.6177.7-86.138.4-22.9000112.9
61T29.5Very low31.8Very low143 Ų143147.7 Ų147.788%0.87781%0.812SS**  trans-144.4147.515736.30000111.6
62D28.3Very low32.2Very low159 Ų159147.9 Ų147.985%0.8581%0.814SS**  trans-82.7167.9-159.9-77.8-67.2000117.6
63S29.9Very low32.6Very low115 Ų115152.1 Ų152.180%0.80482%0.819SS**  trans-60.9144.6174.860.20000115.2
64A29.8Very low33.1Very low106 Ų106150 Ų15088%0.87681%0.813SS**  trans-147.1135.1145.200000110.4
65N32.2Very low33.3Very low156 Ų156149.9 Ų149.983%0.83481%0.812SS**  trans-116.5120179.2170.521.1000109.6
66K31.4Very low34.5Very low188 Ų188150.6 Ų150.682%0.81781%0.807SS**  trans-158.7136.1156.4-135.4164.2-173.2173.30117.1
67D33.1Very low35.8Very low131 Ų131150.8 Ų150.870%0.70180%0.803SS**  trans-17.4133.9165.9-54.2-82000119.7
68R33.8Very low36Very low248 Ų248152.5 Ų152.594%0.93681%0.806SS**  -154139.4101.2-149163.3-176.8150.1-1.1112.5
69K33.9Very low36.8Very low189 Ų189148.7 Ų148.782%0.82280%0.8SS**  trans-79.1134.3175.9-66.1175.5178.4175.80111.4
70E34.5Very low38.1Very low180 Ų180145.7 Ų145.784%0.84179%0.789SS**  trans-89.2144.9143.1-64.4-167.3138.400109A72E70-A72 PolarHBondContact O-N 3.22Å; E70-A72 VanDerWaalsContact O-N 3.12Å
71P37.6Very low38.6Very low124 Ų124149.2 Ų149.281%0.80580%0.796SS**  trans-74.5100.8170.930.4-31.2000109K73P71-K73 PolarHBondContact O-N 2.92Å
72A36.6Very low39.9Very low93 Ų93149.7 Ų149.777%0.76979%0.792SS**  trans-54.8111.8170.700000109.1E70 L74E70-A72 PolarHBondContact O-N 3.22Å; E70-A72 VanDerWaalsContact O-N 3.12Å; A72-L74 PolarHBondContact O-N 2.97Å
73K36.7Very low41.2Very low193 Ų193148.6 Ų148.684%0.83979%0.787SS**  trans-70.1102.2-176.5-164.5-179.6-175.8-172.30108.4P71P71-K73 PolarHBondContact O-N 2.92Å
74L38.7Very low42.9Very low142 Ų142146.8 Ų146.874%0.74377%0.772SS**  trans-56.9144.6173.8-65.6171.6000109.2A72 D76A72-L74 PolarHBondContact O-N 2.97Å; L74-D76 PolarHBondContact O-N 3.32Å
75P42.3Very low45.4Very low102 Ų102144.9 Ų144.966%0.66275%0.752SS**  trans-64.913216628.8-32.5000108.7E77P75-E77 HydrophobicContact CB-CG 4.29Å; P75-E77 PolarHBondContact O-N 3.15Å
76D49.4Very low47.8Very low144 Ų144146 Ų14677%0.7775%0.75SS**  trans-75.346.1175-67-68000111.8L74L74-D76 PolarHBondContact O-N 3.32Å
77E51.7Low50.4Low155 Ų155144.3 Ų144.372%0.72474%0.743SS**  trans-93.8158.1169.9-65.1-69.2143.200109.4P75 C79P75-E77 HydrophobicContact CB-CG 4.29Å; P75-E77 PolarHBondContact O-N 3.15Å; E77-C79 VanDerWaalsContact C-N 3.31Å; E77-C79 PolarHBondContact O-N 3.38Å
78D47.9Very low53Low145 Ų145139.4 Ų139.478%0.77572%0.724SS**  trans60.326.4-179-69.2-25.7000117I80D78-I80 PolarHBondContact O-N 3.35Å
79C44.7Very low55.6Low120 Ų120131.8 Ų131.881%0.81170%0.7SS**  trans-67.269.8144.5-89.80000110E77 Q81E77-C79 VanDerWaalsContact C-N 3.31Å; E77-C79 PolarHBondContact O-N 3.38Å; C79-Q81 PolarHBondContact O-N 2.85Å; C79-Q81 VanDerWaalsContact O-N 3.1Å
80I58.7Low58.2Low119 Ų119124.4 Ų124.461%0.6168%0.675SS**  trans-51.5118.9177.8-59.1174.4000108.2D78 L82D78-I80 PolarHBondContact O-N 3.35Å; I80-L82 HydrophobicContact CB-CG 4.28Å; I80-L82 HydrophobicContact CG2-CD2 3.81Å; I80-L82 HydrophobicContact CG2-CG 3.92Å; I80-L82 WeakPolarHBondContact O-CG 3.41Å; I80-L82 PolarHBondContact O-N 2.93Å
81Q50Low60.8Low182 Ų182121.3 Ų121.385%0.8566%0.662SS**  trans-76.576.1-176.5-160.7171.223.300110.2C79 N83C79-Q81 PolarHBondContact O-N 2.85Å; C79-Q81 VanDerWaalsContact O-N 3.1Å; Q81-N83 PolarHBondContact O-N 3.39Å
82L56.8Low63.2Low152 Ų152119.4 Ų119.480%0.79665%0.651SS**  trans-67.628.9-172.9-72.9171.1000115.1I80 P84I80-L82 HydrophobicContact CB-CG 4.28Å; I80-L82 HydrophobicContact CG2-CD2 3.81Å; I80-L82 HydrophobicContact CG2-CG 3.92Å; I80-L82 WeakPolarHBondContact O-CG 3.41Å; I80-L82 PolarHBondContact O-N 2.93Å; L82-P84 VanDerWaalsContact O-CD 3.26Å; L82-P84 WeakPolarHBondContact O-CD 3.35Å
83N55.7Low65.8Low137 Ų137117.7 Ų117.773%0.73363%0.634SS**  trans-113.865.1166.1-167.6-0.2000110.7Q81 S85Q81-N83 PolarHBondContact O-N 3.39Å; N83-S85 PolarHBondContact O-N 3.34Å
84P65Low68.3Low77 Ų77113.6 Ų113.650%0.562%0.62SS.*  trans-62.3110.916528.4-31.4000107.2L82 I89L82-P84 VanDerWaalsContact O-CD 3.26Å; L82-P84 WeakPolarHBondContact O-CD 3.35Å; P84-I89 HydrophobicContact CB-CG1 4.15Å; P84-I89 HydrophobicContact CG-CD1 4.22Å; P84-I89 HydrophobicContact CG-CG1 4.14Å; P84-I89 WeakPolarHBondContact O-CD1 3.36Å
85S83.3Confident70.7Confident66 Ų66111.5 Ų111.546%0.46261%0.609SS.*  trans-49.2146.7-177.268.20000111.5N83 K87 G88 I89N83-S85 PolarHBondContact O-N 3.34Å; S85-K87 PolarHBondContact O-N 3.41Å; S85-G88 WeakPolarHBondContact O-CA 3.26Å; S85-G88 PolarHBondContact O-N 3.32Å; S85-G88 PolarHBondContact OG-N 2.86Å; S85-I89 PolarHBondContact O-N 3.5Å; S85-I89 VanDerWaalsContact O-N 3.08Å
86F82.4Confident73Confident178 Ų178109.4 Ų109.478%0.78160%0.6SS**Hα-helixtrans-49.7-36.9178.5178.8-101.1000112.6I89 A90F86-I89 PolarHBondContact O-N 3.12Å; F86-A90 VanDerWaalsContact O-CB 3.29Å; F86-A90 WeakPolarHBondContact O-CB 3.47Å; F86-A90 PolarHBondContact O-N 3.26Å
87K86.4Confident75Confident153 Ų153107.4 Ų107.467%0.66559%0.589SS**Hα-helixtrans-58.3-44.6171.8-177180178.8-178.40113S85 M91S85-K87 PolarHBondContact O-N 3.41Å; K87-M91 WeakPolarHBondContact O-CB 3.24Å; K87-M91 WeakPolarHBondContact O-CG 3.25Å; K87-M91 PolarHBondContact O-N 3.11Å
88G86.4Confident77Confident29 Ų29100.6 Ų100.630%0.29956%0.557SS.*Hα-helixtrans-63.8-48.8175.800000112.5S85 A90 M91 S92S85-G88 WeakPolarHBondContact O-CA 3.26Å; S85-G88 PolarHBondContact O-N 3.32Å; S85-G88 PolarHBondContact OG-N 2.86Å; G88-A90 VanDerWaalsContact C-N 3.3Å; G88-A90 PolarHBondContact O-N 2.94Å; G88-M91 PolarHBondContact O-N 3.36Å; G88-S92 PolarHBondContact O-N 3.26Å; G88-S92 PolarHBondContact O-OG 2.56Å
89I88.4Confident79Confident88 Ų8896.4 Ų96.445%0.45153%0.534SS..Hα-helixtrans-57.5-45.9176.4-55.5173.5000110.2P84 S85 F86 S93P84-I89 HydrophobicContact CB-CG1 4.15Å; P84-I89 HydrophobicContact CG-CD1 4.22Å; P84-I89 HydrophobicContact CG-CG1 4.14Å; P84-I89 WeakPolarHBondContact O-CD1 3.36Å; S85-I89 PolarHBondContact O-N 3.5Å; S85-I89 VanDerWaalsContact O-N 3.08Å; F86-I89 PolarHBondContact O-N 3.12Å; I89-S93 VanDerWaalsContact O-CB 3.3Å; I89-S93 WeakPolarHBondContact O-CB 3.26Å; I89-S93 PolarHBondContact O-N 3.44Å; I89-S93 PolarHBondContact O-OG 3.04Å
90A89.3Confident81.3Confident34 Ų3493.5 Ų93.528%0.28152%0.515SS..Hα-helixtrans-63.4-44.617900000112.3F86 G88 S93 L94F86-A90 VanDerWaalsContact O-CB 3.29Å; F86-A90 WeakPolarHBondContact O-CB 3.47Å; F86-A90 PolarHBondContact O-N 3.26Å; G88-A90 VanDerWaalsContact C-N 3.3Å; G88-A90 PolarHBondContact O-N 2.94Å; A90-S93 PolarHBondContact O-N 2.88Å; A90-L94 WeakPolarHBondContact O-CB 3.42Å; A90-L94 WeakPolarHBondContact O-CG 3.42Å; A90-L94 PolarHBondContact O-N 2.9Å
91M88.6Confident82.8Confident115 Ų11591.6 Ų91.657%0.56751%0.505SS*.Hα-helixtrans-64.7-45.3178.5-72.4-67.6174.900112.6K87 G88 S93 L94 L95K87-M91 WeakPolarHBondContact O-CB 3.24Å; K87-M91 WeakPolarHBondContact O-CG 3.25Å; K87-M91 PolarHBondContact O-N 3.11Å; G88-M91 PolarHBondContact O-N 3.36Å; M91-S93 VanDerWaalsContact C-N 3.27Å; M91-S93 PolarHBondContact O-N 2.86Å; M91-L94 PolarHBondContact O-N 2.8Å; M91-L95 WeakPolarHBondContact O-CB 3.47Å; M91-L95 PolarHBondContact O-N 2.84Å
92S88.8Confident84.9Confident84 Ų8482.9 Ų82.959%0.58747%0.465SS*.Hα-helixtrans-60.7-38.2173.8-63.50000111.9G88 A96G88-S92 PolarHBondContact O-N 3.26Å; G88-S92 PolarHBondContact O-OG 2.56Å; S92-A96 WeakPolarHBondContact O-CB 3.49Å; S92-A96 PolarHBondContact O-N 2.83Å
93S90.4Very high86.4Confident57 Ų5780.3 Ų80.340%0.39945%0.447SS..Hα-helixtrans-67.6-44.6177.5-56.50000112.1I89 A90 M91 A96 I97I89-S93 VanDerWaalsContact O-CB 3.3Å; I89-S93 WeakPolarHBondContact O-CB 3.26Å; I89-S93 PolarHBondContact O-N 3.44Å; I89-S93 PolarHBondContact O-OG 3.04Å; A90-S93 PolarHBondContact O-N 2.88Å; M91-S93 VanDerWaalsContact C-N 3.27Å; M91-S93 PolarHBondContact O-N 2.86Å; S93-A96 PolarHBondContact O-N 3.09Å; S93-I97 WeakPolarHBondContact O-CD1 3.43Å; S93-I97 VanDerWaalsContact O-CG1 3.27Å; S93-I97 WeakPolarHBondContact O-CG1 3.28Å; S93-I97 PolarHBondContact O-N 3.37Å
94L89.1Confident88.1Confident107 Ų10782.8 Ų82.856%0.5645%0.446SS*.Hα-helixtrans-62.3-41.5175.6-73.3169.8000111.9A90 M91 I97 D98A90-L94 WeakPolarHBondContact O-CB 3.42Å; A90-L94 WeakPolarHBondContact O-CG 3.42Å; A90-L94 PolarHBondContact O-N 2.9Å; M91-L94 PolarHBondContact O-N 2.8Å; L94-I97 PolarHBondContact O-N 2.65Å; L94-D98 PolarHBondContact O-N 2.97Å
95L89.6Confident89.3Confident98 Ų9881.6 Ų81.651%0.51344%0.435SS..Hα-helixtrans-66.9-38176.4-177.3145.2000112M91 I97 D98 I99M91-L95 WeakPolarHBondContact O-CB 3.47Å; M91-L95 PolarHBondContact O-N 2.84Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-D98 PolarHBondContact O-N 3.29Å; L95-I99 HydrophobicContact CD2-CD1 3.61Å; L95-I99 HydrophobicContact CG-CD1 4.34Å; L95-I99 WeakPolarHBondContact O-CG1 3.46Å; L95-I99 PolarHBondContact O-N 3.44Å
96A90.9Very high89.5Confident57 Ų5778.6 Ų78.647%0.47142%0.415SS..Hα-helixtrans-64.8-37.4172.500000112.3S92 S93 C100S92-A96 WeakPolarHBondContact O-CB 3.49Å; S92-A96 PolarHBondContact O-N 2.83Å; S93-A96 PolarHBondContact O-N 3.09Å; A96-C100 WeakPolarHBondContact O-CB 3.38Å; A96-C100 PolarHBondContact O-N 3.49Å
97I91.6Very high89.9Confident103 Ų10372 Ų7253%0.52839%0.389SS..Hα-helixtrans-66.3-46.1174.4-69.2162.2000110.9S93 L94 L95 I99 C100 L101S93-I97 WeakPolarHBondContact O-CD1 3.43Å; S93-I97 VanDerWaalsContact O-CG1 3.27Å; S93-I97 WeakPolarHBondContact O-CG1 3.28Å; S93-I97 PolarHBondContact O-N 3.37Å; L94-I97 PolarHBondContact O-N 2.65Å; L95-I97 VanDerWaalsContact C-N 3.34Å; I97-I99 PolarHBondContact O-N 3.3Å; I97-C100 PolarHBondContact O-N 3.46Å; I97-L101 VanDerWaalsContact O-CB 3.28Å; I97-L101 WeakPolarHBondContact O-CB 3.31Å; I97-L101 PolarHBondContact O-N 3.12Å
98D93.3Very high90Very high12 Ų1264.7 Ų64.76%0.06436%0.357CS..Hα-helixtrans-56-49.1175.4174.649.4000111.7L94 L95 S102 R177 H245 L246 T247L94-D98 PolarHBondContact O-N 2.97Å; L95-D98 PolarHBondContact O-N 3.29Å; D98-S102 WeakPolarHBondContact O-CB 3.42Å; D98-S102 PolarHBondContact O-N 3.03Å; D98-S102 PolarHBondContact O-OG 2.84Å; D98-S102 PolarHBondContact OD1-OG 2.95Å; D98-R177 IonicContact OD2-CZ 2.72Å; D98-R177 IonicContact OD2-NH1 3.5Å; D98-R177 IonicContact OD2-NH2 2.79Å; D98-R177 PolarHBondContact OD2-NH2 3.16Å; D98-H245 WeakPolarHBondContact OD2-CB 3.33Å; D98-L246 PolarHBondContact OD1-N 3.47Å; D98-T247 HydrophobicContact CB-CG2 4Å; D98-T247 VanDerWaalsContact CG-CG2 3.44Å; D98-T247 VanDerWaalsContact CG-OG1 3.28Å; D98-T247 PolarHBondContact OD1-N 3.04Å; D98-T247 PolarHBondContact OD1-OG1 2.89Å; D98-T247 WeakPolarHBondContact OD2-CG2 3.49Å; D98-T247 PolarHBondContact OD2-OG1 2.96Å
99I90.6Very high90Very high56 Ų5663.3 Ų63.329%0.28734%0.343SS..Hα-helixtrans-64.3-44177.9-67.4171.8000111.3L95 I97 K103L95-I99 HydrophobicContact CD2-CD1 3.61Å; L95-I99 HydrophobicContact CG-CD1 4.34Å; L95-I99 WeakPolarHBondContact O-CG1 3.46Å; L95-I99 PolarHBondContact O-N 3.44Å; I97-I99 PolarHBondContact O-N 3.3Å; I99-K103 HydrophobicContact CG2-CD 4.29Å; I99-K103 WeakPolarHBondContact O-CB 3.43Å; I99-K103 WeakPolarHBondContact O-CG 3.26Å; I99-K103 PolarHBondContact O-N 3.41Å
100C91.9Very high89.7Confident60 Ų6063.6 Ų63.641%0.40534%0.339SS..Hα-helixtrans-62.6-46.4179.3-176.40000111.7A96 I97 R104A96-C100 WeakPolarHBondContact O-CB 3.38Å; A96-C100 PolarHBondContact O-N 3.49Å; I97-C100 PolarHBondContact O-N 3.46Å; C100-R104 VanDerWaalsContact O-CG 3.27Å; C100-R104 WeakPolarHBondContact O-CG 3.32Å; C100-R104 PolarHBondContact O-N 3.34Å
101L91.3Very high89.2Confident78 Ų7867.9 Ų67.941%0.40836%0.362SS..Hα-helixtrans-70.6-41.6-179.6-173.156.2000111.4I97 K103 R104 L105 L246I97-L101 VanDerWaalsContact O-CB 3.28Å; I97-L101 WeakPolarHBondContact O-CB 3.31Å; I97-L101 PolarHBondContact O-N 3.12Å; L101-K103 PolarHBondContact O-N 3.28Å; L101-R104 PolarHBondContact O-N 2.89Å; L101-L105 HydrophobicContact CD1-CD1 4.39Å; L101-L105 HydrophobicContact CD1-CG 4.35Å; L101-L105 HydrophobicContact CG-CD1 4.17Å; L101-L105 WeakPolarHBondContact O-CB 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.49Å; L101-L105 PolarHBondContact O-N 2.91Å; L101-L246 HydrophobicContact CB-CD1 4.21Å; L101-L246 HydrophobicContact CD2-CD1 3.43Å; L101-L246 VanDerWaalsContact CD2-CD1 3.43Å; L101-L246 HydrophobicContact CG-CD1 3.57Å
102S92.6Very high88.7Confident0 Ų067.7 Ų67.70%037%0.372CS..Hα-helixtrans-63.4-40.5176-57.40000112.2D98 L105 G106 H245 L246D98-S102 WeakPolarHBondContact O-CB 3.42Å; D98-S102 PolarHBondContact O-N 3.03Å; D98-S102 PolarHBondContact O-OG 2.84Å; D98-S102 PolarHBondContact OD1-OG 2.95Å; S102-L105 PolarHBondContact O-N 3.26Å; S102-G106 PolarHBondContact O-N 3.5Å; S102-G106 VanDerWaalsContact O-N 3.15Å; S102-H245 WeakPolarHBondContact OG-CA 3.49Å; S102-L246 PolarHBondContact OG-N 3.34Å
103K89.4Confident88.4Confident98 Ų9865.1 Ų65.143%0.42635%0.354SS..Hα-helixtrans-64.2-40.3172.5-78.1-175.1172.1-174.20112.3I99 L101 G106 P180I99-K103 HydrophobicContact CG2-CD 4.29Å; I99-K103 WeakPolarHBondContact O-CB 3.43Å; I99-K103 WeakPolarHBondContact O-CG 3.26Å; I99-K103 PolarHBondContact O-N 3.41Å; L101-K103 PolarHBondContact O-N 3.28Å; K103-G106 PolarHBondContact O-N 2.78Å; K103-P180 WeakPolarHBondContact CE-O 3.31Å; K103-P180 HydrophobicContact CG-CB 4.12Å
104R90.1Very high88Confident188 Ų18867.2 Ų67.271%0.70937%0.368SS*.Hα-helixtrans-65.9-35.5175.5-74.5172.2-178.9-135.30.6113.3C100 L101 G106C100-R104 VanDerWaalsContact O-CG 3.27Å; C100-R104 WeakPolarHBondContact O-CG 3.32Å; C100-R104 PolarHBondContact O-N 3.34Å; L101-R104 PolarHBondContact O-N 2.89Å; R104-G106 VanDerWaalsContact C-N 3.34Å
105L90.8Very high87.9Confident53 Ų5369.6 Ų69.628%0.27737%0.37SS..Hα-helixtrans-78.1-15.9178.3-71.1175000113.6L101 S102 V107 V239 L240 L246L101-L105 HydrophobicContact CD1-CD1 4.39Å; L101-L105 HydrophobicContact CD1-CG 4.35Å; L101-L105 HydrophobicContact CG-CD1 4.17Å; L101-L105 WeakPolarHBondContact O-CB 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.49Å; L101-L105 PolarHBondContact O-N 2.91Å; S102-L105 PolarHBondContact O-N 3.26Å; L105-V107 PolarHBondContact O-N 3.07Å; L105-V239 HydrophobicContact CB-CG1 4.02Å; L105-V239 HydrophobicContact CD1-CG1 4.26Å; L105-L240 WeakPolarHBondContact O-CA 3.46Å; L105-L240 WeakPolarHBondContact O-CD2 3.45Å; L105-L246 HydrophobicContact CD1-CD1 3.74Å; L105-L246 HydrophobicContact CD1-CD2 3.91Å; L105-L246 HydrophobicContact CD1-CG 4.04Å
106G88.6Confident87.7Confident3 Ų365.4 Ų65.43%0.03135%0.35CS..  trans-67.638.6176.300000115.6S102 K103 R104 C108 A109 L240S102-G106 PolarHBondContact O-N 3.5Å; S102-G106 VanDerWaalsContact O-N 3.15Å; K103-G106 PolarHBondContact O-N 2.78Å; R104-G106 VanDerWaalsContact C-N 3.34Å; G106-C108 PolarHBondContact O-N 3.15Å; G106-C108 VanDerWaalsContact O-N 3.14Å; G106-A109 WeakPolarHBondContact O-CB 3.45Å; G106-A109 PolarHBondContact O-N 3.44Å; G106-L240 CarbonylContact C-O 3.32Å; G106-L240 VanDerWaalsContact C-O 3.32Å; G106-L240 WeakPolarHBondContact CA-O 3.41Å
107V91.1Very high87.6Confident39 Ų3967.8 Ų67.824%0.23636%0.364CS..THydrogen-bonded Turntrans-66.3-12.8-174.5-62.40000114.4L105 S113 W115 L240L105-V107 PolarHBondContact O-N 3.07Å; V107-S113 WeakPolarHBondContact O-CB 3.28Å; V107-W115 HydrophobicContact CB-CB 4.12Å; V107-W115 HydrophobicContact CB-CG 4.34Å; V107-W115 HydrophobicContact CG2-CB 3.92Å; V107-W115 HydrophobicContact CG2-CD2 4.16Å; V107-W115 HydrophobicContact CG2-CE3 4.21Å; V107-W115 HydrophobicContact CG2-CG 4.05Å; V107-W115 PolarHBondContact O-N 3.5Å; V107-W115 VanDerWaalsContact O-N 3.1Å; V107-L240 HydrophobicContact CG2-CD2 4.2Å
108C88.3Confident87.5Confident0 Ų065 Ų650%035%0.351CS..THydrogen-bonded Turntrans-107.113173.8-56.30000112.6G106 Y110 R119 L240 L241G106-C108 PolarHBondContact O-N 3.15Å; G106-C108 VanDerWaalsContact O-N 3.14Å; C108-Y110 PolarHBondContact O-N 3.34Å; C108-R119 HydrophobicContact CB-CB 4.29Å; C108-R119 WeakPolarHBondContact O-CD 3.43Å; C108-R119 PolarHBondContact O-NH1 3.35Å; C108-L240 CarbonylContact C-O 3.59Å; C108-L240 WeakPolarHBondContact CA-O 3.48Å; C108-L240 WeakPolarHBondContact CB-O 3.49Å; C108-L240 PolarHBondContact N-O 3.22Å; C108-L241 HydrophobicContact CB-CD2 4.21Å
109A84.7Confident87.4Confident0 Ų067.4 Ų67.40%036%0.36CS..SBendtrans-62.3-37.9-172.800000113.7G106 R119 W181 M183G106-A109 WeakPolarHBondContact O-CB 3.45Å; G106-A109 PolarHBondContact O-N 3.44Å; A109-R119 VanDerWaalsContact C-NH1 3.33Å; A109-R119 PolarHBondContact O-NH1 3.33Å; A109-W181 HydrophobicContact CB-CD2 4.28Å; A109-W181 HydrophobicContact CB-CG 4.26Å; A109-M183 HydrophobicContact CB-CE 3.64Å; A109-M183 WeakPolarHBondContact O-CE 3.29Å
110Y83.2Confident87.5Confident93 Ų9368.5 Ų68.537%0.36537%0.373SS..SBendtrans-131.5164175.9-56.6-79.4000110.9C108 S112 S113 G116 W181 E182C108-Y110 PolarHBondContact O-N 3.34Å; Y110-S112 PolarHBondContact O-N 2.96Å; Y110-S113 PolarHBondContact N-OG 3.05Å; Y110-S113 VanDerWaalsContact O-CB 3.27Å; Y110-S113 WeakPolarHBondContact O-CB 3.37Å; Y110-S113 PolarHBondContact O-N 3.42Å; Y110-S113 VanDerWaalsContact O-N 3.08Å; Y110-S113 PolarHBondContact O-OG 3.11Å; Y110-G116 WeakPolarHBondContact O-CA 3.31Å; Y110-W181 HydrophobicContact CE2-CD2 4.29Å; Y110-W181 AromaticContact CE2-CE3 3.66Å; Y110-W181 HydrophobicContact CE2-CE3 3.66Å; Y110-W181 AromaticContact CE2-CZ3 3.99Å; Y110-W181 HydrophobicContact CE2-CZ3 3.99Å; Y110-E182 PolarHBondContact OH-O 2.86Å
111T78.1Confident87.6Confident125 Ų12571.8 Ų71.877%0.76738%0.383SS*.THydrogen-bonded Turntrans-64.8-24.2174.245.30000112.8
112S78.8Confident87.8Confident111 Ų11169.4 Ų69.478%0.77637%0.371SS*.THydrogen-bonded Turntrans-86.9-2.3172.953.20000114.4Y110Y110-S112 PolarHBondContact O-N 2.96Å
113S83.2Confident87.8Confident30 Ų3072.2 Ų72.221%0.2139%0.388CS..SBendtrans-72.4158.9173.4-56.20000111V107 Y110 W115 G116V107-S113 WeakPolarHBondContact O-CB 3.28Å; Y110-S113 PolarHBondContact N-OG 3.05Å; Y110-S113 VanDerWaalsContact O-CB 3.27Å; Y110-S113 WeakPolarHBondContact O-CB 3.37Å; Y110-S113 PolarHBondContact O-N 3.42Å; Y110-S113 VanDerWaalsContact O-N 3.08Å; Y110-S113 PolarHBondContact O-OG 3.11Å; S113-W115 PolarHBondContact O-N 2.88Å; S113-W115 VanDerWaalsContact O-N 3.08Å; S113-G116 PolarHBondContact O-N 3.48Å
114S81Confident88Confident100 Ų10072.5 Ų72.570%0.69939%0.394SS*.THydrogen-bonded Turntrans-55.1-32.3-174.351.50000114.3
115W87.4Confident88.3Confident157 Ų15765.6 Ų65.660%0.59537%0.371SS*.THydrogen-bonded Turntrans-111.527.2177.3-76.627000111.6V107 S113 S117 V118 R119V107-W115 HydrophobicContact CB-CB 4.12Å; V107-W115 HydrophobicContact CB-CG 4.34Å; V107-W115 HydrophobicContact CG2-CB 3.92Å; V107-W115 HydrophobicContact CG2-CD2 4.16Å; V107-W115 HydrophobicContact CG2-CE3 4.21Å; V107-W115 HydrophobicContact CG2-CG 4.05Å; V107-W115 PolarHBondContact O-N 3.5Å; V107-W115 VanDerWaalsContact O-N 3.1Å; S113-W115 PolarHBondContact O-N 2.88Å; S113-W115 VanDerWaalsContact O-N 3.08Å; W115-S117 PolarHBondContact O-N 3.11Å; W115-S117 VanDerWaalsContact O-N 3.16Å; W115-V118 HydrophobicContact CB-CG2 3.85Å; W115-V118 HydrophobicContact CD2-CG2 4.44Å; W115-V118 HydrophobicContact CE3-CG2 4.03Å; W115-V118 HydrophobicContact CG-CG2 4.43Å; W115-V118 WeakPolarHBondContact O-CG2 3.46Å; W115-V118 PolarHBondContact O-N 3.04Å; W115-R119 PolarHBondContact O-N 3.31Å
116G84.2Confident88.4Confident10 Ų1063.3 Ų63.310%0.10336%0.359CS..THydrogen-bonded Turntrans-59-25.8-178.800000114.7Y110 S113 R119Y110-G116 WeakPolarHBondContact O-CA 3.31Å; S113-G116 PolarHBondContact O-N 3.48Å; G116-R119 WeakPolarHBondContact O-CB 3.32Å; G116-R119 PolarHBondContact O-N 3.33Å
117S89.3Confident88.7Confident107 Ų10766.5 Ų66.575%0.74838%0.375SS*.THydrogen-bonded Turntrans-67.1-43175.653.30000113W115 R119W115-S117 PolarHBondContact O-N 3.11Å; W115-S117 VanDerWaalsContact O-N 3.16Å; S117-R119 VanDerWaalsContact C-N 3.25Å; S117-R119 PolarHBondContact O-N 2.93Å
118V90.9Very high88.9Confident45 Ų4567.2 Ų67.227%0.27338%0.38SS..THydrogen-bonded Turntrans-79.6-5.1179.2-62.50000113.2W115 S120 M121 I122W115-V118 HydrophobicContact CB-CG2 3.85Å; W115-V118 HydrophobicContact CD2-CG2 4.44Å; W115-V118 HydrophobicContact CE3-CG2 4.03Å; W115-V118 HydrophobicContact CG-CG2 4.43Å; W115-V118 WeakPolarHBondContact O-CG2 3.46Å; W115-V118 PolarHBondContact O-N 3.04Å; V118-S120 PolarHBondContact O-N 2.94Å; V118-S120 VanDerWaalsContact O-N 3.07Å; V118-M121 WeakPolarHBondContact O-CB 3.33Å; V118-M121 PolarHBondContact O-N 3.18Å; V118-I122 WeakPolarHBondContact O-CG1 3.36Å; V118-I122 PolarHBondContact O-N 2.8Å
119R91.3Very high89.2Confident62 Ų6267.2 Ų67.223%0.23438%0.38CS..Hα-helixtrans-48.8-37.4175.8-179.1-180170.189.1-11.5112.9C108 A109 W115 G116 S117 T123 L241C108-R119 HydrophobicContact CB-CB 4.29Å; C108-R119 WeakPolarHBondContact O-CD 3.43Å; C108-R119 PolarHBondContact O-NH1 3.35Å; A109-R119 VanDerWaalsContact C-NH1 3.33Å; A109-R119 PolarHBondContact O-NH1 3.33Å; W115-R119 PolarHBondContact O-N 3.31Å; G116-R119 WeakPolarHBondContact O-CB 3.32Å; G116-R119 PolarHBondContact O-N 3.33Å; S117-R119 VanDerWaalsContact C-N 3.25Å; S117-R119 PolarHBondContact O-N 2.93Å; R119-T123 WeakPolarHBondContact O-CB 3.34Å; R119-T123 PolarHBondContact O-N 2.85Å; R119-T123 PolarHBondContact O-OG1 2.89Å; R119-L241 HydrophobicContact CG-CD2 3.77Å
120S91.4Very high89.6Confident80 Ų8067.5 Ų67.556%0.55938%0.381SS*.Hα-helixtrans-62.7-49.9176.3-171.80000111.7V118 I122 T123 L124V118-S120 PolarHBondContact O-N 2.94Å; V118-S120 VanDerWaalsContact O-N 3.07Å; S120-I122 PolarHBondContact O-N 2.96Å; S120-T123 WeakPolarHBondContact O-CB 3.19Å; S120-T123 PolarHBondContact O-N 2.93Å; S120-T123 VanDerWaalsContact O-N 3.1Å; S120-L124 WeakPolarHBondContact O-CG 3.19Å; S120-L124 PolarHBondContact O-N 3.42Å
121M94.3Very high90Very high129 Ų12963.2 Ų63.264%0.63537%0.365SS*.Hα-helixtrans-61.5-42.3177-62.2175.369.700112.1V118 T123 L124 L125V118-M121 WeakPolarHBondContact O-CB 3.33Å; V118-M121 PolarHBondContact O-N 3.18Å; M121-T123 VanDerWaalsContact C-N 3.28Å; M121-T123 PolarHBondContact O-N 3.36Å; M121-L124 PolarHBondContact O-N 2.97Å; M121-L125 WeakPolarHBondContact O-CB 3.37Å; M121-L125 PolarHBondContact O-N 3.35Å
122I94.8Very high90.7Very high27 Ų2760.9 Ų60.914%0.13835%0.347CS..Hα-helixtrans-66.7-30.9176.3-55.7-57.5000111.4V118 S120 A126 L240 L241V118-I122 WeakPolarHBondContact O-CG1 3.36Å; V118-I122 PolarHBondContact O-N 2.8Å; S120-I122 PolarHBondContact O-N 2.96Å; I122-A126 WeakPolarHBondContact O-CB 3.27Å; I122-A126 PolarHBondContact O-N 3.4Å; I122-L240 HydrophobicContact CD1-CD1 4.21Å; I122-L240 HydrophobicContact CG2-CB 4.18Å; I122-L240 HydrophobicContact CG2-CD1 4.42Å; I122-L241 HydrophobicContact CB-CD2 4.49Å; I122-L241 HydrophobicContact CG2-CD1 4.05Å; I122-L241 HydrophobicContact CG2-CD2 4.26Å; I122-L241 HydrophobicContact CG2-CG 3.78Å
123T92.6Very high91.4Very high59 Ų5958.7 Ų58.736%0.36233%0.329SS..Hα-helixtrans-73.5-38.1174.5-56.10000112R119 S120 M121 A126 L127R119-T123 WeakPolarHBondContact O-CB 3.34Å; R119-T123 PolarHBondContact O-N 2.85Å; R119-T123 PolarHBondContact O-OG1 2.89Å; S120-T123 WeakPolarHBondContact O-CB 3.19Å; S120-T123 PolarHBondContact O-N 2.93Å; S120-T123 VanDerWaalsContact O-N 3.1Å; M121-T123 VanDerWaalsContact C-N 3.28Å; M121-T123 PolarHBondContact O-N 3.36Å; T123-A126 WeakPolarHBondContact O-CB 3.35Å; T123-A126 PolarHBondContact O-N 3.04Å; T123-L127 PolarHBondContact O-N 3.05Å
124L94.1Very high92Very high105 Ų10560.1 Ų60.155%0.5533%0.33SS..Hα-helixtrans-64.9-41.2172-69.7171.3000111.6S120 M121 L127 T128S120-L124 WeakPolarHBondContact O-CG 3.19Å; S120-L124 PolarHBondContact O-N 3.42Å; M121-L124 PolarHBondContact O-N 2.97Å; L124-L127 WeakPolarHBondContact O-CB 3.38Å; L124-L127 PolarHBondContact O-N 2.97Å; L124-T128 PolarHBondContact O-N 2.74Å
125L96.2Very high92.7Very high43 Ų4356.9 Ų56.923%0.22530%0.304CS..Hα-helixtrans-58.2-47.9170.9172.362.3000111.2M121 L127 T128 L233 V234M121-L125 WeakPolarHBondContact O-CB 3.37Å; M121-L125 PolarHBondContact O-N 3.35Å; L125-L127 VanDerWaalsContact C-N 3.29Å; L125-L127 PolarHBondContact O-N 3.24Å; L125-T128 PolarHBondContact O-N 2.92Å; L125-T128 VanDerWaalsContact O-N 3.12Å; L125-T128 PolarHBondContact O-OG1 3.32Å; L125-L233 HydrophobicContact CD1-CB 4.26Å; L125-L233 HydrophobicContact CD2-CB 4.06Å; L125-V234 HydrophobicContact CD1-CG2 3.95Å
126A94Very high93.1Very high4 Ų456.1 Ų56.13%0.03331%0.305CS..Hα-helixtrans-58.4-39.3175.200000112.5I122 T123 T128 G129 H130 H202 S237 L241I122-A126 WeakPolarHBondContact O-CB 3.27Å; I122-A126 PolarHBondContact O-N 3.4Å; T123-A126 WeakPolarHBondContact O-CB 3.35Å; T123-A126 PolarHBondContact O-N 3.04Å; A126-T128 PolarHBondContact O-N 2.97Å; A126-G129 WeakPolarHBondContact O-CA 3.3Å; A126-G129 PolarHBondContact O-N 3.06Å; A126-H130 PolarHBondContact O-N 2.94Å; A126-H202 PolarHBondContact O-CD2 3.49Å; A126-H202 VanDerWaalsContact O-CD2 3.24Å; A126-S237 WeakPolarHBondContact CB-OG 3.35Å; A126-L241 HydrophobicContact CB-CD1 4.2Å
127L94Very high93.7Very high70 Ų7057 Ų5737%0.36632%0.315SS..Hα-helixtrans-60.6-28.3177.5-175.962.4000113.1T123 L124 L125 G129 H130 T133 L188T123-L127 PolarHBondContact O-N 3.05Å; L124-L127 WeakPolarHBondContact O-CB 3.38Å; L124-L127 PolarHBondContact O-N 2.97Å; L125-L127 VanDerWaalsContact C-N 3.29Å; L125-L127 PolarHBondContact O-N 3.24Å; L127-G129 VanDerWaalsContact C-N 3.27Å; L127-G129 PolarHBondContact O-N 3.44Å; L127-H130 HydrophobicContact CD1-CB 4.14Å; L127-H130 WeakPolarHBondContact O-CB 3.29Å; L127-H130 PolarHBondContact O-N 3.49Å; L127-T133 PolarHBondContact O-OG1 2.84Å; L127-L188 HydrophobicContact CD1-CD1 3.91Å
128T95.6Very high94.1Very high55 Ų5552.1 Ų52.134%0.33728%0.281SS..Hα-helixtrans-68.2-24.9172.7720000113L124 L125 A126 W134 W230L124-T128 PolarHBondContact O-N 2.74Å; L125-T128 PolarHBondContact O-N 2.92Å; L125-T128 VanDerWaalsContact O-N 3.12Å; L125-T128 PolarHBondContact O-OG1 3.32Å; A126-T128 PolarHBondContact O-N 2.97Å; T128-W134 PolarHBondContact O-NE1 2.91Å; T128-W230 PolarHBondContact OG1-NE1 2.96Å
129G93.4Very high94.3Very high0 Ų053.7 Ų53.70%029%0.287CS..THydrogen-bonded Turntrans-89.55.2173.300000114.9A126 L127 R205A126-G129 WeakPolarHBondContact O-CA 3.3Å; A126-G129 PolarHBondContact O-N 3.06Å; L127-G129 VanDerWaalsContact C-N 3.27Å; L127-G129 PolarHBondContact O-N 3.44Å; G129-R205 PolarHBondContact O-NE 3.38Å; G129-R205 VanDerWaalsContact O-NE 3.09Å
130H94.1Very high94.5Very high6 Ų653.7 Ų53.73%0.02829%0.294CS..  trans-79.2137.1-171.9-159.2-104000111.5A126 L127 I132 T133 W134 L188 A192 H202A126-H130 PolarHBondContact O-N 2.94Å; L127-H130 HydrophobicContact CD1-CB 4.14Å; L127-H130 WeakPolarHBondContact O-CB 3.29Å; L127-H130 PolarHBondContact O-N 3.49Å; H130-I132 VanDerWaalsContact C-N 3.34Å; H130-I132 PolarHBondContact O-N 3.18Å; H130-T133 WeakPolarHBondContact O-CB 3.31Å; H130-T133 PolarHBondContact O-N 3.34Å; H130-T133 VanDerWaalsContact O-N 3.15Å; H130-W134 PolarHBondContact O-N 3.39Å; H130-L188 PolarHBondContact CE1-O 2.93Å; H130-L188 PolarHBondContact NE2-O 3.26Å; H130-L188 VanDerWaalsContact NE2-O 3.13Å; H130-A192 VanDerWaalsContact CE1-CB 3.49Å; H130-A192 WeakPolarHBondContact CE1-CB 3.41Å; H130-A192 WeakPolarHBondContact NE2-CB 3.09Å; H130-H202 AromaticContact CD2-CE1 3.95Å; H130-H202 AromaticContact CD2-NE2 3.54Å
131G92.3Very high94.7Very high2 Ų253.1 Ų53.12%0.02129%0.289CS..Hα-helixtrans-60-42-173.100000113.1T133 W134 I135G131-T133 VanDerWaalsContact C-N 3.3Å; G131-T133 PolarHBondContact O-N 2.85Å; G131-W134 PolarHBondContact O-N 3.18Å; G131-I135 WeakPolarHBondContact O-CG1 3.45Å; G131-I135 PolarHBondContact O-N 2.97Å
132I92.4Very high94.7Very high77 Ų7748.5 Ų48.540%0.39527%0.266SS..Hα-helixtrans-58.9-41.3178.2-54.7179.1000111.3H130 W134 F136 C191H130-I132 VanDerWaalsContact C-N 3.34Å; H130-I132 PolarHBondContact O-N 3.18Å; I132-W134 VanDerWaalsContact C-N 3.35Å; I132-W134 PolarHBondContact O-N 3.18Å; I132-F136 VanDerWaalsContact O-CB 3.23Å; I132-F136 WeakPolarHBondContact O-CB 3.47Å; I132-F136 PolarHBondContact O-N 3.17Å; I132-C191 HydrophobicContact CD1-CB 3.76Å
133T93.4Very high94.5Very high65 Ų6552.4 Ų52.440%0.39929%0.291SS..Hα-helixtrans-59.9-45.2179.7-46.50000111.2L127 H130 G131 G137L127-T133 PolarHBondContact O-OG1 2.84Å; H130-T133 WeakPolarHBondContact O-CB 3.31Å; H130-T133 PolarHBondContact O-N 3.34Å; H130-T133 VanDerWaalsContact O-N 3.15Å; G131-T133 VanDerWaalsContact C-N 3.3Å; G131-T133 PolarHBondContact O-N 2.85Å; T133-G137 PolarHBondContact O-N 3.2Å
134W95.8Very high94.6Very high59 Ų5959.3 Ų59.322%0.22331%0.311CS..Hα-helixtrans-76.6-39.1-179.3-78.195.5000113.7T128 H130 G131 I132 T138 L161 V209 L213 W230T128-W134 PolarHBondContact O-NE1 2.91Å; H130-W134 PolarHBondContact O-N 3.39Å; G131-W134 PolarHBondContact O-N 3.18Å; I132-W134 VanDerWaalsContact C-N 3.35Å; I132-W134 PolarHBondContact O-N 3.18Å; W134-T138 VanDerWaalsContact O-CB 3.28Å; W134-T138 WeakPolarHBondContact O-CB 3.46Å; W134-T138 PolarHBondContact O-N 3.41Å; W134-T138 PolarHBondContact O-OG1 3.41Å; W134-L161 HydrophobicContact CB-CD1 3.83Å; W134-L161 HydrophobicContact CB-CD2 3.58Å; W134-L161 HydrophobicContact CB-CG 4.38Å; W134-L161 HydrophobicContact CG-CD2 4.27Å; W134-V209 HydrophobicContact CD2-CG1 4.08Å; W134-V209 HydrophobicContact CD2-CG2 4.34Å; W134-V209 HydrophobicContact CE3-CG1 3.84Å; W134-V209 HydrophobicContact CE3-CG2 4.48Å; W134-V209 HydrophobicContact CH2-CG1 3.51Å; W134-V209 HydrophobicContact CZ2-CG1 3.76Å; W134-V209 HydrophobicContact CZ3-CG1 3.55Å; W134-L213 HydrophobicContact CH2-CD1 4.03Å; W134-L213 HydrophobicContact CZ3-CD1 4.24Å; W134-W230 AromaticContact CE2-CH2 3.92Å; W134-W230 AromaticContact CZ2-CH2 3.61Å; W134-W230 HydrophobicContact CZ2-CH2 3.61Å; W134-W230 AromaticContact CZ2-CZ2 3.83Å; W134-W230 HydrophobicContact CZ2-CZ2 3.83Å; W134-W230 HydrophobicContact CZ2-CZ3 4.43Å; W134-W230 AromaticContact NE1-CH2 3.84Å; W134-W230 AromaticContact NE1-CZ2 3.85Å
135I96Very high94.4Very high32 Ų3255.2 Ų55.216%0.16429%0.291CS..Hα-helixtrans-60.9-50.9173.9-68.9-69.6000110.1G131 T138 I139 L158 L161 L162 I165G131-I135 WeakPolarHBondContact O-CG1 3.45Å; G131-I135 PolarHBondContact O-N 2.97Å; I135-T138 PolarHBondContact O-N 3.35Å; I135-I139 HydrophobicContact CG2-CD1 3.76Å; I135-I139 VanDerWaalsContact O-CG1 3.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.44Å; I135-I139 PolarHBondContact O-N 3.34Å; I135-L158 HydrophobicContact CD1-CD1 3.7Å; I135-L161 HydrophobicContact CD1-CB 3.55Å; I135-L161 HydrophobicContact CD1-CD1 4.31Å; I135-L161 HydrophobicContact CG1-CB 4.39Å; I135-L162 HydrophobicContact CD1-CD2 4.03Å; I135-L162 HydrophobicContact CD1-CG 4.22Å; I135-I165 HydrophobicContact CD1-CD1 4.19Å; I135-I165 HydrophobicContact CG1-CD1 3.84Å
136F95.7Very high94.1Very high141 Ų14160.6 Ų60.662%0.61832%0.32SS*.Hα-helixtrans-61.5-47.7178.9-179.5-100.1000111.8I132 T138 I139 V140I132-F136 VanDerWaalsContact O-CB 3.23Å; I132-F136 WeakPolarHBondContact O-CB 3.47Å; I132-F136 PolarHBondContact O-N 3.17Å; F136-T138 VanDerWaalsContact C-N 3.35Å; F136-T138 PolarHBondContact O-N 3.47Å; F136-I139 PolarHBondContact O-N 3.1Å; F136-V140 HydrophobicContact CD1-CG2 4.25Å; F136-V140 HydrophobicContact CD2-CG2 4.47Å; F136-V140 HydrophobicContact CE1-CG2 3.86Å; F136-V140 HydrophobicContact CE2-CG2 4.1Å; F136-V140 HydrophobicContact CZ-CG2 3.78Å; F136-V140 WeakPolarHBondContact O-CG2 3.41Å; F136-V140 PolarHBondContact O-N 3.35Å
137G96.4Very high94.1Very high30 Ų3064.7 Ų64.731%0.30935%0.345SS..Hα-helixtrans-57.9-44.8176.600000112.8T133 I139 V140 C141T133-G137 PolarHBondContact O-N 3.2Å; G137-I139 PolarHBondContact O-N 2.88Å; G137-V140 PolarHBondContact O-N 2.67Å; G137-C141 WeakPolarHBondContact O-CB 3.3Å; G137-C141 PolarHBondContact O-N 2.95Å; G137-C141 PolarHBondContact O-SG 3.06Å; G137-C141 VanDerWaalsContact O-SG 3.36Å
138T96.8Very high94Very high4 Ų466 Ų663%0.02535%0.352CS..Hα-helixtrans-65.1-40.9179.6-53.90000111.8W134 I135 F136 C141 L142 L154 L157 L158 L161W134-T138 VanDerWaalsContact O-CB 3.28Å; W134-T138 WeakPolarHBondContact O-CB 3.46Å; W134-T138 PolarHBondContact O-N 3.41Å; W134-T138 PolarHBondContact O-OG1 3.41Å; I135-T138 PolarHBondContact O-N 3.35Å; F136-T138 VanDerWaalsContact C-N 3.35Å; F136-T138 PolarHBondContact O-N 3.47Å; T138-C141 PolarHBondContact O-N 3.38Å; T138-L142 VanDerWaalsContact O-CB 3.31Å; T138-L142 WeakPolarHBondContact O-CB 3.33Å; T138-L142 PolarHBondContact O-N 3.06Å; T138-L154 HydrophobicContact CG2-CB 4.46Å; T138-L154 HydrophobicContact CG2-CD2 4.09Å; T138-L154 VanDerWaalsContact CG2-O 3.28Å; T138-L154 WeakPolarHBondContact CG2-O 3.43Å; T138-L157 HydrophobicContact CG2-CB 4.29Å; T138-L157 HydrophobicContact CG2-CD2 4.2Å; T138-L157 HydrophobicContact CG2-CG 4.21Å; T138-L158 HydrophobicContact CG2-CB 3.94Å; T138-L161 WeakPolarHBondContact OG1-CD1 3.29Å
139I95.6Very high93.9Very high77 Ų7766.7 Ų66.740%0.39536%0.363SS..Hα-helixtrans-66-42.6176.1-67.9166.6000111.4I135 F136 G137 L142 T143 L158I135-I139 HydrophobicContact CG2-CD1 3.76Å; I135-I139 VanDerWaalsContact O-CG1 3.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.44Å; I135-I139 PolarHBondContact O-N 3.34Å; F136-I139 PolarHBondContact O-N 3.1Å; G137-I139 PolarHBondContact O-N 2.88Å; I139-L142 PolarHBondContact O-N 3.47Å; I139-T143 WeakPolarHBondContact O-CG2 3.4Å; I139-T143 PolarHBondContact O-N 3.09Å; I139-T143 PolarHBondContact O-OG1 3.46Å; I139-T143 VanDerWaalsContact O-OG1 3.06Å; I139-L158 HydrophobicContact CG1-CD1 4.35Å; I139-L158 HydrophobicContact CG1-CD2 4.41Å
140V95.9Very high93.9Very high63 Ų6367.7 Ų67.738%0.38237%0.373SS..Hα-helixtrans-64.3-40.2175.6171.80000111.1F136 G137 T143 R144F136-V140 HydrophobicContact CD1-CG2 4.25Å; F136-V140 HydrophobicContact CD2-CG2 4.47Å; F136-V140 HydrophobicContact CE1-CG2 3.86Å; F136-V140 HydrophobicContact CE2-CG2 4.1Å; F136-V140 HydrophobicContact CZ-CG2 3.78Å; F136-V140 WeakPolarHBondContact O-CG2 3.41Å; F136-V140 PolarHBondContact O-N 3.35Å; G137-V140 PolarHBondContact O-N 2.67Å; V140-T143 PolarHBondContact O-OG1 3.34Å; V140-T143 VanDerWaalsContact O-OG1 3.05Å; V140-R144 WeakPolarHBondContact O-CB 3.32Å; V140-R144 VanDerWaalsContact O-CG 3.28Å; V140-R144 WeakPolarHBondContact O-CG 3.24Å; V140-R144 PolarHBondContact O-N 3.49Å
141C95.5Very high94Very high67 Ų6768.7 Ų68.745%0.45338%0.378SS..Hα-helixtrans-65.1-40.2172.9-72.70000112.1G137 T138 R144 S145 L154G137-C141 WeakPolarHBondContact O-CB 3.3Å; G137-C141 PolarHBondContact O-N 2.95Å; G137-C141 PolarHBondContact O-SG 3.06Å; G137-C141 VanDerWaalsContact O-SG 3.36Å; T138-C141 PolarHBondContact O-N 3.38Å; C141-R144 CarbonylContact O-C 3.51Å; C141-R144 PolarHBondContact O-N 2.92Å; C141-S145 WeakPolarHBondContact O-CB 3.43Å; C141-S145 PolarHBondContact O-N 3.35Å; C141-L154 HydrophobicContact CB-CD1 3.82Å; C141-L154 HydrophobicContact CB-CD2 3.66Å; C141-L154 HydrophobicContact CB-CG 4.43Å
142L94.3Very high94.2Very high33 Ų3370.6 Ų70.617%0.17339%0.386CS..Hα-helixtrans-65.2-45.7-179.1-17562.9000111.5T138 I139 R144 S145 Q151 L154 V155 I277T138-L142 VanDerWaalsContact O-CB 3.31Å; T138-L142 WeakPolarHBondContact O-CB 3.33Å; T138-L142 PolarHBondContact O-N 3.06Å; I139-L142 PolarHBondContact O-N 3.47Å; L142-R144 PolarHBondContact O-N 3.03Å; L142-S145 PolarHBondContact O-N 2.94Å; L142-Q151 HydrophobicContact CD1-CB 4.13Å; L142-Q151 HydrophobicContact CD1-CG 4.11Å; L142-L154 HydrophobicContact CB-CB 4.42Å; L142-L154 HydrophobicContact CD1-CB 3.98Å; L142-V155 HydrophobicContact CD1-CG2 3.95Å; L142-V155 HydrophobicContact CD2-CG2 4.12Å; L142-I277 HydrophobicContact CD1-CD1 4.1Å
143T90.7Very high94.4Very high108 Ų10868.3 Ų68.366%0.66338%0.376SS*.Hα-helixtrans-66.3-11.9174.854.30000114.3I139 V140I139-T143 WeakPolarHBondContact O-CG2 3.4Å; I139-T143 PolarHBondContact O-N 3.09Å; I139-T143 PolarHBondContact O-OG1 3.46Å; I139-T143 VanDerWaalsContact O-OG1 3.06Å; V140-T143 PolarHBondContact O-OG1 3.34Å; V140-T143 VanDerWaalsContact O-OG1 3.05Å
144R93.5Very high94.6Very high205 Ų20566.7 Ų66.777%0.77437%0.365SS*.Hα-helixtrans-105.2-11.1175-69.3-62.7-160.2141.24.1114V140 C141 L142V140-R144 WeakPolarHBondContact O-CB 3.32Å; V140-R144 VanDerWaalsContact O-CG 3.28Å; V140-R144 WeakPolarHBondContact O-CG 3.24Å; V140-R144 PolarHBondContact O-N 3.49Å; C141-R144 CarbonylContact O-C 3.51Å; C141-R144 PolarHBondContact O-N 2.92Å; L142-R144 PolarHBondContact O-N 3.03Å
145S91.8Very high94.6Very high19 Ų1964.6 Ų64.613%0.13336%0.358CS..  trans-86.6120.3-178.2-174.70000110.7C141 L142 Q151C141-S145 WeakPolarHBondContact O-CB 3.43Å; C141-S145 PolarHBondContact O-N 3.35Å; L142-S145 PolarHBondContact O-N 2.94Å; S145-Q151 PolarHBondContact O-NE2 3Å; S145-Q151 PolarHBondContact OG-N 2.82Å
146N88.6Confident94.7Very high156 Ų15663 Ų6383%0.83435%0.35SS*.  trans-1023173.5-64.8-45.3000113
147T94.2Very high94.8Very high89 Ų8956.7 Ų56.755%0.54632%0.323SS..SBendtrans-103.7134.1-178.862.80000110.7A149 G150 Q151T147-A149 VanDerWaalsContact C-N 3.35Å; T147-A149 PolarHBondContact O-N 3.44Å; T147-G150 PolarHBondContact O-N 2.76Å; T147-G150 VanDerWaalsContact O-N 3.11Å; T147-G150 PolarHBondContact OG1-N 3.4Å; T147-Q151 WeakPolarHBondContact O-CG 3.35Å; T147-Q151 PolarHBondContact O-N 3.41Å
148L93.1Very high94.9Very high99 Ų9957 Ų5752%0.51832%0.317SS..Hα-helixtrans-56.3-47.5-178.7-61.6176.5000111.7G150 Q151 E152 Q274L148-G150 PolarHBondContact O-N 3.27Å; L148-Q151 PolarHBondContact O-N 2.94Å; L148-E152 WeakPolarHBondContact O-CB 3.31Å; L148-E152 PolarHBondContact O-N 3.15Å; L148-Q274 HydrophobicContact CD2-CG 3.98Å
149A93.3Very high94.9Very high68 Ų6859.7 Ų59.756%0.56233%0.331SS*.Hα-helixtrans-63.7-37.1177.100000113.1T147 E152 V153T147-A149 VanDerWaalsContact C-N 3.35Å; T147-A149 PolarHBondContact O-N 3.44Å; A149-E152 PolarHBondContact O-N 3.46Å; A149-V153 WeakPolarHBondContact O-CG2 3.39Å; A149-V153 PolarHBondContact O-N 3.2Å; A149-V153 VanDerWaalsContact O-N 3.11Å
150G93.6Very high95.1Very high22 Ų2256 Ų5623%0.22731%0.312CS..Hα-helixtrans-67.4-42.2175.500000111.8T147 L148 L154T147-G150 PolarHBondContact O-N 2.76Å; T147-G150 VanDerWaalsContact O-N 3.11Å; T147-G150 PolarHBondContact OG1-N 3.4Å; L148-G150 PolarHBondContact O-N 3.27Å; G150-L154 WeakPolarHBondContact O-CB 3.5Å; G150-L154 WeakPolarHBondContact O-CD1 3.28Å; G150-L154 WeakPolarHBondContact O-CG 3.28Å; G150-L154 PolarHBondContact O-N 2.98Å
151Q95.1Very high95.2Very high26 Ų2653 Ų5312%0.12129%0.294CS..Hα-helixtrans-65-41.5174.4-70.1176.5-12.100112L142 S145 T147 L148 L154 V155 I277L142-Q151 HydrophobicContact CD1-CB 4.13Å; L142-Q151 HydrophobicContact CD1-CG 4.11Å; S145-Q151 PolarHBondContact O-NE2 3Å; S145-Q151 PolarHBondContact OG-N 2.82Å; T147-Q151 WeakPolarHBondContact O-CG 3.35Å; T147-Q151 PolarHBondContact O-N 3.41Å; L148-Q151 PolarHBondContact O-N 2.94Å; Q151-L154 PolarHBondContact O-N 3.24Å; Q151-V155 WeakPolarHBondContact O-CB 3.24Å; Q151-V155 WeakPolarHBondContact O-CG2 3.31Å; Q151-V155 PolarHBondContact O-N 3.46Å; Q151-I277 HydrophobicContact CB-CD1 3.91Å; Q151-I277 HydrophobicContact CG-CD1 4.21Å
152E96.3Very high95.2Very high42 Ų4253.8 Ų53.820%0.19629%0.293CS..Hα-helixtrans-58.8-50176.4-171-173.7118.300111.6L148 A149 L154 V155 N156 W267 L268 S270L148-E152 WeakPolarHBondContact O-CB 3.31Å; L148-E152 PolarHBondContact O-N 3.15Å; A149-E152 PolarHBondContact O-N 3.46Å; E152-L154 VanDerWaalsContact C-N 3.32Å; E152-L154 PolarHBondContact O-N 2.91Å; E152-V155 PolarHBondContact O-N 2.83Å; E152-N156 PolarHBondContact O-N 3.35Å; E152-N156 PolarHBondContact O-ND2 3.24Å; E152-W267 PolarHBondContact OE1-NE1 3.05Å; E152-L268 VanDerWaalsContact CG-O 3.31Å; E152-L268 WeakPolarHBondContact CG-O 3.33Å; E152-S270 VanDerWaalsContact OE2-CA 3.26Å; E152-S270 WeakPolarHBondContact OE2-CA 3.47Å; E152-S270 VanDerWaalsContact OE2-CB 3.25Å; E152-S270 WeakPolarHBondContact OE2-CB 3.48Å; E152-S270 PolarHBondContact OE2-N 2.69Å; E152-S270 PolarHBondContact OE2-OG 3.1Å
153V96.8Very high95.4Very high30 Ų3054.2 Ų54.218%0.18230%0.296CS..Hα-helixtrans-63.4-38.1177.71740000111.4A149 L157 F212 H216 W267A149-V153 WeakPolarHBondContact O-CG2 3.39Å; A149-V153 PolarHBondContact O-N 3.2Å; A149-V153 VanDerWaalsContact O-N 3.11Å; V153-L157 WeakPolarHBondContact O-CB 3.47Å; V153-L157 PolarHBondContact O-N 2.92Å; V153-F212 HydrophobicContact CG1-CE1 3.77Å; V153-F212 HydrophobicContact CG1-CZ 4.28Å; V153-F212 WeakPolarHBondContact O-CZ 3.43Å; V153-H216 HydrophobicContact CG1-CB 4.21Å; V153-H216 HydrophobicContact CG2-CB 4.42Å; V153-W267 HydrophobicContact CG2-CZ2 4.35Å
154L97.2Very high95.7Very high30 Ų3049.1 Ų49.116%0.15726%0.264CS..Hα-helixtrans-73.6-35.1179.1-72.4166.1000113.4T138 C141 L142 G150 Q151 E152 L157 L158T138-L154 HydrophobicContact CG2-CB 4.46Å; T138-L154 HydrophobicContact CG2-CD2 4.09Å; T138-L154 VanDerWaalsContact CG2-O 3.28Å; T138-L154 WeakPolarHBondContact CG2-O 3.43Å; C141-L154 HydrophobicContact CB-CD1 3.82Å; C141-L154 HydrophobicContact CB-CD2 3.66Å; C141-L154 HydrophobicContact CB-CG 4.43Å; L142-L154 HydrophobicContact CB-CB 4.42Å; L142-L154 HydrophobicContact CD1-CB 3.98Å; G150-L154 WeakPolarHBondContact O-CB 3.5Å; G150-L154 WeakPolarHBondContact O-CD1 3.28Å; G150-L154 WeakPolarHBondContact O-CG 3.28Å; G150-L154 PolarHBondContact O-N 2.98Å; Q151-L154 PolarHBondContact O-N 3.24Å; E152-L154 VanDerWaalsContact C-N 3.32Å; E152-L154 PolarHBondContact O-N 2.91Å; L154-L157 PolarHBondContact O-N 2.87Å; L154-L158 WeakPolarHBondContact O-CB 3.37Å; L154-L158 PolarHBondContact O-N 2.94Å
155V97.1Very high95.8Very high15 Ų1541.3 Ų41.39%0.09124%0.237CC..Hα-helixtrans-68.8-43174.3169.20000110.7L142 Q151 E152 L157 L158 L159 L268 C273 L276 I277L142-V155 HydrophobicContact CD1-CG2 3.95Å; L142-V155 HydrophobicContact CD2-CG2 4.12Å; Q151-V155 WeakPolarHBondContact O-CB 3.24Å; Q151-V155 WeakPolarHBondContact O-CG2 3.31Å; Q151-V155 PolarHBondContact O-N 3.46Å; E152-V155 PolarHBondContact O-N 2.83Å; V155-L157 PolarHBondContact O-N 3.37Å; V155-L158 PolarHBondContact O-N 3Å; V155-L159 WeakPolarHBondContact O-CB 3.31Å; V155-L159 PolarHBondContact O-N 3.35Å; V155-L268 HydrophobicContact CG1-CD1 4.2Å; V155-C273 HydrophobicContact CB-CB 4.27Å; V155-C273 HydrophobicContact CG1-CB 4.32Å; V155-C273 HydrophobicContact CG2-CB 4.3Å; V155-L276 HydrophobicContact CG1-CD1 4.26Å; V155-I277 HydrophobicContact CG2-CD1 4.02Å; V155-I277 HydrophobicContact CG2-CG1 4.12Å
156N97.9Very high96Very high0 Ų047.2 Ų47.20%027%0.265CS..Hα-helixtrans-66.4-35.1174.8-75.7-76.9000112.3E152 L159 A160 F212 V263 W267 L268E152-N156 PolarHBondContact O-N 3.35Å; E152-N156 PolarHBondContact O-ND2 3.24Å; N156-L159 PolarHBondContact O-N 3.02Å; N156-A160 WeakPolarHBondContact O-CB 3.27Å; N156-A160 PolarHBondContact O-N 3.35Å; N156-F212 HydrophobicContact CB-CE2 4.15Å; N156-F212 HydrophobicContact CB-CZ 4.05Å; N156-V263 HydrophobicContact CB-CG1 4.43Å; N156-W267 HydrophobicContact CB-CD2 4.19Å; N156-W267 HydrophobicContact CB-CE3 3.88Å; N156-W267 HydrophobicContact CB-CH2 3.6Å; N156-W267 HydrophobicContact CB-CZ2 3.91Å; N156-W267 HydrophobicContact CB-CZ3 3.59Å; N156-L268 PolarHBondContact ND2-O 2.77Å; N156-L268 PolarHBondContact OD1-N 2.77Å
157L98.1Very high96.4Very high8 Ų842.1 Ų42.14%0.04224%0.239CC..Hα-helixtrans-64.7-41.7171.7-179.458.4000111.9T138 V153 L154 V155 A160 L161 V209 F212T138-L157 HydrophobicContact CG2-CB 4.29Å; T138-L157 HydrophobicContact CG2-CD2 4.2Å; T138-L157 HydrophobicContact CG2-CG 4.21Å; V153-L157 WeakPolarHBondContact O-CB 3.47Å; V153-L157 PolarHBondContact O-N 2.92Å; L154-L157 PolarHBondContact O-N 2.87Å; V155-L157 PolarHBondContact O-N 3.37Å; L157-A160 PolarHBondContact O-N 3.32Å; L157-L161 HydrophobicContact CD1-CD1 4.32Å; L157-L161 HydrophobicContact CD1-CG 4.43Å; L157-L161 HydrophobicContact CG-CD1 4.09Å; L157-L161 WeakPolarHBondContact O-CG 3.32Å; L157-L161 PolarHBondContact O-N 3.42Å; L157-V209 HydrophobicContact CD1-CG2 4.36Å; L157-F212 HydrophobicContact CB-CD1 4.33Å; L157-F212 HydrophobicContact CB-CE1 3.69Å; L157-F212 HydrophobicContact CB-CE2 4.41Å; L157-F212 HydrophobicContact CB-CZ 3.75Å; L157-F212 HydrophobicContact CD1-CD1 3.88Å; L157-F212 HydrophobicContact CD1-CE1 4.13Å; L157-F212 HydrophobicContact CD1-CG 4.13Å; L157-F212 HydrophobicContact CG-CE1 4.35Å
158L97.7Very high96.5Very high35 Ų3538 Ų3818%0.18321%0.214CC..Hα-helixtrans-64.1-43.3176.6-176.259.2000111.2I135 T138 I139 L154 V155 A160 L161 L162I135-L158 HydrophobicContact CD1-CD1 3.7Å; T138-L158 HydrophobicContact CG2-CB 3.94Å; I139-L158 HydrophobicContact CG1-CD1 4.35Å; I139-L158 HydrophobicContact CG1-CD2 4.41Å; L154-L158 WeakPolarHBondContact O-CB 3.37Å; L154-L158 PolarHBondContact O-N 2.94Å; V155-L158 PolarHBondContact O-N 3Å; L158-A160 VanDerWaalsContact C-N 3.34Å; L158-A160 PolarHBondContact O-N 3.5Å; L158-L161 PolarHBondContact O-N 3.49Å; L158-L162 HydrophobicContact CD1-CD1 4.46Å; L158-L162 HydrophobicContact CD1-CG 4.48Å; L158-L162 HydrophobicContact CG-CD1 4.2Å; L158-L162 VanDerWaalsContact O-CG 3.29Å; L158-L162 WeakPolarHBondContact O-CG 3.44Å; L158-L162 PolarHBondContact O-N 2.56Å
159L97.5Very high96.5Very high61 Ų6134.4 Ų34.432%0.31920%0.198SC..Hα-helixtrans-57.7-45.6172.8178.362.8000111.4V155 N156 L161 L162 L163 L268V155-L159 WeakPolarHBondContact O-CB 3.31Å; V155-L159 PolarHBondContact O-N 3.35Å; N156-L159 PolarHBondContact O-N 3.02Å; L159-L161 PolarHBondContact O-N 2.94Å; L159-L162 PolarHBondContact O-N 2.68Å; L159-L163 VanDerWaalsContact O-CB 3.29Å; L159-L163 WeakPolarHBondContact O-CB 3.37Å; L159-L163 PolarHBondContact O-N 3.36Å; L159-L268 HydrophobicContact CD2-CD1 3.95Å; L159-L268 HydrophobicContact CD2-CG 4.16Å
160A98.1Very high96.6Very high0 Ų032.8 Ų32.80%019%0.188CC..Hα-helixtrans-62.6-41.7178.100000112.9N156 L157 L158 D164 M208 V263N156-A160 WeakPolarHBondContact O-CB 3.27Å; N156-A160 PolarHBondContact O-N 3.35Å; L157-A160 PolarHBondContact O-N 3.32Å; L158-A160 VanDerWaalsContact C-N 3.34Å; L158-A160 PolarHBondContact O-N 3.5Å; A160-D164 WeakPolarHBondContact O-CB 2.94Å; A160-D164 PolarHBondContact O-N 2.88Å; A160-M208 HydrophobicContact CB-CE 3.99Å; A160-M208 HydrophobicContact CB-CG 4.46Å; A160-M208 HydrophobicContact CB-SD 3.51Å; A160-M208 VanDerWaalsContact CB-SD 3.51Å; A160-M208 WeakPolarHBondContact O-CE 3.45Å; A160-V263 HydrophobicContact CB-CB 4.4Å; A160-V263 HydrophobicContact CB-CG1 4.29Å; A160-V263 HydrophobicContact CB-CG2 3.76Å
161L98Very high96.7Very high0 Ų033.7 Ų33.70%019%0.189CC..Hα-helixtrans-66.4-39.9176.6-72.7163.5000112.3W134 I135 T138 L157 L158 L159 I165 M208 V209W134-L161 HydrophobicContact CB-CD1 3.83Å; W134-L161 HydrophobicContact CB-CD2 3.58Å; W134-L161 HydrophobicContact CB-CG 4.38Å; W134-L161 HydrophobicContact CG-CD2 4.27Å; I135-L161 HydrophobicContact CD1-CB 3.55Å; I135-L161 HydrophobicContact CD1-CD1 4.31Å; I135-L161 HydrophobicContact CG1-CB 4.39Å; T138-L161 WeakPolarHBondContact OG1-CD1 3.29Å; L157-L161 HydrophobicContact CD1-CD1 4.32Å; L157-L161 HydrophobicContact CD1-CG 4.43Å; L157-L161 HydrophobicContact CG-CD1 4.09Å; L157-L161 WeakPolarHBondContact O-CG 3.32Å; L157-L161 PolarHBondContact O-N 3.42Å; L158-L161 PolarHBondContact O-N 3.49Å; L159-L161 PolarHBondContact O-N 2.94Å; L161-I165 WeakPolarHBondContact O-CB 3.4Å; L161-I165 WeakPolarHBondContact O-CD1 3.45Å; L161-I165 VanDerWaalsContact O-CG1 3.23Å; L161-I165 WeakPolarHBondContact O-CG1 3.28Å; L161-I165 PolarHBondContact O-N 3.03Å; L161-M208 HydrophobicContact CD2-CE 3.81Å; L161-M208 HydrophobicContact CG-CE 4.06Å; L161-V209 HydrophobicContact CD2-CG2 3.86Å
162L97.1Very high96.7Very high83 Ų8332.5 Ų32.544%0.43518%0.184SC..Hα-helixtrans-67.7-46176.2-69.6171.2000111.4I135 L158 L159 D164 I165 M166I135-L162 HydrophobicContact CD1-CD2 4.03Å; I135-L162 HydrophobicContact CD1-CG 4.22Å; L158-L162 HydrophobicContact CD1-CD1 4.46Å; L158-L162 HydrophobicContact CD1-CG 4.48Å; L158-L162 HydrophobicContact CG-CD1 4.2Å; L158-L162 VanDerWaalsContact O-CG 3.29Å; L158-L162 WeakPolarHBondContact O-CG 3.44Å; L158-L162 PolarHBondContact O-N 2.56Å; L159-L162 PolarHBondContact O-N 2.68Å; L162-D164 VanDerWaalsContact C-N 3.33Å; L162-D164 PolarHBondContact O-N 2.91Å; L162-I165 PolarHBondContact O-N 3.33Å; L162-M166 WeakPolarHBondContact O-CB 3.4Å; L162-M166 VanDerWaalsContact O-CG 3.3Å; L162-M166 WeakPolarHBondContact O-CG 3.23Å; L162-M166 PolarHBondContact O-N 3.41Å
163L97.4Very high96.6Very high43 Ų4337.5 Ų37.523%0.22521%0.205CC..Hα-helixtrans-54.4-47.5173.5172.666.9000111.5L159 T167 H259 L262 V263L159-L163 VanDerWaalsContact O-CB 3.29Å; L159-L163 WeakPolarHBondContact O-CB 3.37Å; L159-L163 PolarHBondContact O-N 3.36Å; L163-T167 VanDerWaalsContact O-CB 3.24Å; L163-T167 WeakPolarHBondContact O-CB 3.47Å; L163-T167 PolarHBondContact O-N 3.27Å; L163-T167 PolarHBondContact O-OG1 2.93Å; L163-H259 HydrophobicContact CD2-CB 4.33Å; L163-L262 HydrophobicContact CD1-CD2 4.35Å; L163-L262 HydrophobicContact CD2-CB 4.48Å; L163-L262 HydrophobicContact CD2-CD2 4.06Å; L163-L262 HydrophobicContact CD2-CG 4.36Å; L163-V263 HydrophobicContact CD2-CG2 3.78Å
164D97.6Very high96.5Very high0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-62.5-51.3178.7179.796.9000112.1A160 L162 M166 T167 V168 S204 R205 M208 H259A160-D164 WeakPolarHBondContact O-CB 2.94Å; A160-D164 PolarHBondContact O-N 2.88Å; L162-D164 VanDerWaalsContact C-N 3.33Å; L162-D164 PolarHBondContact O-N 2.91Å; D164-M166 VanDerWaalsContact C-N 3.34Å; D164-M166 PolarHBondContact O-N 2.86Å; D164-T167 PolarHBondContact O-N 3.49Å; D164-V168 WeakPolarHBondContact O-CB 3.43Å; D164-V168 VanDerWaalsContact O-CG2 3.3Å; D164-V168 WeakPolarHBondContact O-CG2 3.19Å; D164-V168 PolarHBondContact O-N 3.33Å; D164-S204 VanDerWaalsContact OD1-CB 3.25Å; D164-S204 WeakPolarHBondContact OD1-CB 3.12Å; D164-S204 PolarHBondContact OD1-OG 2.99Å; D164-R205 HydrophobicContact CB-CG 4.5Å; D164-R205 WeakPolarHBondContact OD2-CG 3.22Å; D164-R205 IonicContact OD2-NH1 3.49Å; D164-R205 PolarHBondContact OD2-NH1 3.25Å; D164-M208 HydrophobicContact CB-CE 4.1Å; D164-H259 IonicContact OD1-CE1 3.44Å; D164-H259 PolarHBondContact OD1-CE1 3.37Å; D164-H259 IonicContact OD1-ND1 2.92Å; D164-H259 PolarHBondContact OD1-ND1 2.86Å
165I95.6Very high96.3Very high42 Ų4246 Ų4622%0.21525%0.247CC..Hα-helixtrans-60.3-45.1-178.8-69.8165.7000110.6I135 L161 L162 A169I135-I165 HydrophobicContact CD1-CD1 4.19Å; I135-I165 HydrophobicContact CG1-CD1 3.84Å; L161-I165 WeakPolarHBondContact O-CB 3.4Å; L161-I165 WeakPolarHBondContact O-CD1 3.45Å; L161-I165 VanDerWaalsContact O-CG1 3.23Å; L161-I165 WeakPolarHBondContact O-CG1 3.28Å; L161-I165 PolarHBondContact O-N 3.03Å; L162-I165 PolarHBondContact O-N 3.33Å; I165-A169 WeakPolarHBondContact O-CB 3.34Å; I165-A169 PolarHBondContact O-N 3.36Å
166M95.9Very high96.1Very high143 Ų14350.8 Ų50.870%0.70427%0.267SS*.Hα-helixtrans-64.7-46.3178.6-71.7178.666.600112.1L162 D164 G170L162-M166 WeakPolarHBondContact O-CB 3.4Å; L162-M166 VanDerWaalsContact O-CG 3.3Å; L162-M166 WeakPolarHBondContact O-CG 3.23Å; L162-M166 PolarHBondContact O-N 3.41Å; D164-M166 VanDerWaalsContact C-N 3.34Å; D164-M166 PolarHBondContact O-N 2.86Å; M166-G170 PolarHBondContact O-N 3.46Å
167T96.6Very high95.8Very high49 Ų4953.3 Ų53.330%0.30128%0.277SS..Hα-helixtrans-68.9-46.3-177-54.90000111.1L163 D164 G170 V171 L255 H259L163-T167 VanDerWaalsContact O-CB 3.24Å; L163-T167 WeakPolarHBondContact O-CB 3.47Å; L163-T167 PolarHBondContact O-N 3.27Å; L163-T167 PolarHBondContact O-OG1 2.93Å; D164-T167 PolarHBondContact O-N 3.49Å; T167-G170 PolarHBondContact O-N 2.9Å; T167-V171 WeakPolarHBondContact O-CG2 3.36Å; T167-V171 PolarHBondContact O-N 3.36Å; T167-L255 HydrophobicContact CG2-CD1 4.46Å; T167-H259 WeakPolarHBondContact CB-NE2 3.41Å; T167-H259 WeakPolarHBondContact CG2-NE2 3.37Å
168V96Very high95.4Very high3 Ų359.7 Ų59.72%0.01830%0.304CS..Hα-helixtrans-64.6-47.2178.2174.60000111.3D164 G170 V171 Q172 P199 A201 L255D164-V168 WeakPolarHBondContact O-CB 3.43Å; D164-V168 VanDerWaalsContact O-CG2 3.3Å; D164-V168 WeakPolarHBondContact O-CG2 3.19Å; D164-V168 PolarHBondContact O-N 3.33Å; V168-G170 VanDerWaalsContact C-N 3.27Å; V168-G170 PolarHBondContact O-N 2.98Å; V168-V171 PolarHBondContact O-N 3.36Å; V168-Q172 HydrophobicContact CG1-CG 4.14Å; V168-Q172 VanDerWaalsContact O-CB 3.28Å; V168-Q172 WeakPolarHBondContact O-CB 3.25Å; V168-Q172 WeakPolarHBondContact O-CG 3.42Å; V168-Q172 PolarHBondContact O-N 3.42Å; V168-P199 HydrophobicContact CG1-CG 4.07Å; V168-P199 HydrophobicContact CG2-CG 4.27Å; V168-A201 HydrophobicContact CB-CB 4.48Å; V168-A201 HydrophobicContact CG1-CB 3.53Å; V168-L255 HydrophobicContact CG2-CD2 3.87Å
169A94.4Very high94.9Very high22 Ų2259.1 Ų59.118%0.18231%0.307CS..Hα-helixtrans-62.7-36.1178.100000111.9I165 K173 M193I165-A169 WeakPolarHBondContact O-CB 3.34Å; I165-A169 PolarHBondContact O-N 3.36Å; A169-K173 WeakPolarHBondContact O-CB 3.45Å; A169-K173 PolarHBondContact O-N 2.83Å; A169-M193 HydrophobicContact CB-CB 3.82Å; A169-M193 HydrophobicContact CB-CG 4.46Å
170G95.3Very high94.3Very high34 Ų3456.7 Ų56.735%0.35129%0.294SS..Hα-helixtrans-60.6-55.7172.100000112.4M166 T167 V168 Q172 K173 L174M166-G170 PolarHBondContact O-N 3.46Å; T167-G170 PolarHBondContact O-N 2.9Å; V168-G170 VanDerWaalsContact C-N 3.27Å; V168-G170 PolarHBondContact O-N 2.98Å; G170-Q172 PolarHBondContact O-N 3.12Å; G170-K173 PolarHBondContact O-N 2.75Å; G170-L174 WeakPolarHBondContact O-CG 3.39Å; G170-L174 PolarHBondContact O-N 3.03Å
171V96.1Very high93.6Very high42 Ų4260.9 Ų60.926%0.25531%0.31SS..Hα-helixtrans-63.7-41.1-179.3178.90000111.6T167 V168 K173 L174 I175 F198 P199T167-V171 WeakPolarHBondContact O-CG2 3.36Å; T167-V171 PolarHBondContact O-N 3.36Å; V168-V171 PolarHBondContact O-N 3.36Å; V171-K173 PolarHBondContact O-N 2.96Å; V171-L174 PolarHBondContact O-N 3.02Å; V171-I175 HydrophobicContact CG1-CD1 3.69Å; V171-I175 HydrophobicContact CG1-CG1 4.37Å; V171-I175 PolarHBondContact O-N 3.17Å; V171-F198 HydrophobicContact CG1-CD1 4.28Å; V171-F198 HydrophobicContact CG1-CE1 4.17Å; V171-P199 HydrophobicContact CG1-CG 4.43Å
172Q94.5Very high92.6Very high1 Ų167.6 Ų67.61%0.00534%0.342CS..Hα-helixtrans-58.2-45.9173.2-82.3-169.217.100111.8V168 G170 L174 K176 M193 D194 Y196 F198 P199V168-Q172 HydrophobicContact CG1-CG 4.14Å; V168-Q172 VanDerWaalsContact O-CB 3.28Å; V168-Q172 WeakPolarHBondContact O-CB 3.25Å; V168-Q172 WeakPolarHBondContact O-CG 3.42Å; V168-Q172 PolarHBondContact O-N 3.42Å; G170-Q172 PolarHBondContact O-N 3.12Å; Q172-L174 VanDerWaalsContact C-N 3.29Å; Q172-L174 PolarHBondContact O-N 2.93Å; Q172-K176 WeakPolarHBondContact O-CA 3.44Å; Q172-K176 PolarHBondContact O-N 3.42Å; Q172-M193 PolarHBondContact OE1-O 3.15Å; Q172-M193 VanDerWaalsContact OE1-O 3.12Å; Q172-D194 PolarHBondContact NE2-OD1 3.1Å; Q172-Y196 HydrophobicContact CB-CD2 4.23Å; Q172-Y196 PolarHBondContact NE2-O 3.45Å; Q172-Y196 VanDerWaalsContact NE2-O 3.11Å; Q172-Y196 VanDerWaalsContact O-CD2 3.22Å; Q172-Y196 WeakPolarHBondContact O-CD2 3.2Å; Q172-Y196 PolarHBondContact OE1-O 3.07Å; Q172-F198 WeakPolarHBondContact CA-O 3.01Å; Q172-F198 VanDerWaalsContact CG-O 3.28Å; Q172-F198 WeakPolarHBondContact CG-O 3.47Å; Q172-P199 PolarHBondContact NE2-O 3Å
173K93.3Very high91.6Very high146 Ų14666.1 Ų66.164%0.63533%0.333SS*.Hα-helixtrans-69.3-24.2179.4-171173.8-179-179.70113.4A169 G170 V171 K176A169-K173 WeakPolarHBondContact O-CB 3.45Å; A169-K173 PolarHBondContact O-N 2.83Å; G170-K173 PolarHBondContact O-N 2.75Å; V171-K173 PolarHBondContact O-N 2.96Å; K173-K176 WeakPolarHBondContact O-CE 3.44Å; K173-K176 WeakPolarHBondContact O-CG 3.28Å
174L94.8Very high90.7Very high144 Ų14470.3 Ų70.375%0.75436%0.361SS*.Hα-helixtrans-78.7-51.6172.7-70.7168.3000112G170 V171 Q172G170-L174 WeakPolarHBondContact O-CG 3.39Å; G170-L174 PolarHBondContact O-N 3.03Å; V171-L174 PolarHBondContact O-N 3.02Å; Q172-L174 VanDerWaalsContact C-N 3.29Å; Q172-L174 PolarHBondContact O-N 2.93Å
175I94Very high89.7Confident94 Ų9472 Ų7248%0.48237%0.372SS..Hα-helixtrans-86.3-32.1-169.5-67.5178.1000112.8V171 R177 F198V171-I175 HydrophobicContact CG1-CD1 3.69Å; V171-I175 HydrophobicContact CG1-CG1 4.37Å; V171-I175 PolarHBondContact O-N 3.17Å; I175-R177 HydrophobicContact CG2-CB 4.29Å; I175-R177 PolarHBondContact O-N 2.92Å; I175-F198 HydrophobicContact CB-CD1 4.45Å; I175-F198 HydrophobicContact CD1-CD1 3.6Å; I175-F198 HydrophobicContact CD1-CE1 3.57Å; I175-F198 HydrophobicContact CG2-CB 4.41Å; I175-F198 HydrophobicContact CG2-CD1 4.09Å
176K92.3Very high88.9Confident117 Ų11771.3 Ų71.351%0.50938%0.375SS..  trans53.726.6173.5-53.8-176-175.4174.50116Q172 K173 K178 Y196Q172-K176 WeakPolarHBondContact O-CA 3.44Å; Q172-K176 PolarHBondContact O-N 3.42Å; K173-K176 WeakPolarHBondContact O-CE 3.44Å; K173-K176 WeakPolarHBondContact O-CG 3.28Å; K176-K178 PolarHBondContact O-N 2.76Å; K176-Y196 VanDerWaalsContact CA-CD1 3.48Å; K176-Y196 HydrophobicContact CB-CD1 3.91Å; K176-Y196 HydrophobicContact CB-CE1 3.68Å; K176-Y196 HydrophobicContact CB-CE2 4.41Å; K176-Y196 HydrophobicContact CB-CG 4.36Å; K176-Y196 HydrophobicContact CG-CD1 4.49Å; K176-Y196 HydrophobicContact CG-CD2 4.43Å; K176-Y196 HydrophobicContact CG-CE1 4.03Å; K176-Y196 HydrophobicContact CG-CE2 3.95Å
177R90.7Very high88.1Confident53 Ų5372.4 Ų72.420%0.238%0.376CS..PPolyproline II helixtrans-57130.9178.6-170.1-175.9178.7172.31.3110.2D98 I175 S197 F198 H245 T247 D248D98-R177 IonicContact OD2-CZ 2.72Å; D98-R177 IonicContact OD2-NH1 3.5Å; D98-R177 IonicContact OD2-NH2 2.79Å; D98-R177 PolarHBondContact OD2-NH2 3.16Å; I175-R177 HydrophobicContact CG2-CB 4.29Å; I175-R177 PolarHBondContact O-N 2.92Å; R177-S197 WeakPolarHBondContact CD-OG 3.48Å; R177-S197 WeakPolarHBondContact CG-OG 3.16Å; R177-S197 PolarHBondContact O-N 2.8Å; R177-S197 PolarHBondContact O-OG 2.95Å; R177-F198 HydrophobicContact CB-CB 3.78Å; R177-F198 HydrophobicContact CG-CB 4.44Å; R177-H245 VanDerWaalsContact CZ-CD2 3.42Å; R177-H245 PolarHBondContact NE-CD2 2.93Å; R177-H245 PolarHBondContact NH2-CD2 3.29Å; R177-H245 PolarHBondContact NH2-ND1 2.63Å; R177-T247 PolarHBondContact NH1-OG1 3.12Å; R177-D248 VanDerWaalsContact CD-OD1 3.28Å; R177-D248 WeakPolarHBondContact CD-OD1 3.48Å; R177-D248 IonicContact CZ-OD1 2.8Å; R177-D248 IonicContact NE-OD1 3.7Å; R177-D248 IonicContact NH1-OD1 3.78Å; R177-D248 PolarHBondContact NH1-OD1 3.27Å
178K90.3Very high87.1Confident142 Ų14273.8 Ų73.862%0.61738%0.381SS*.PPolyproline II helixtrans-78143.4170.4-75.2-171.9171.7-1720111K176 E182 S197 H245K176-K178 PolarHBondContact O-N 2.76Å; K178-E182 IonicContact NZ-OE1 2.72Å; K178-E182 PolarHBondContact NZ-OE1 2.99Å; K178-S197 PolarHBondContact O-OG 2.98Å; K178-H245 PolarHBondContact O-NE2 2.98Å
179G87.1Confident86.3Confident23 Ų2374 Ų7424%0.23738%0.382CS..PPolyproline II helixtrans-63.9169.7174.400000114W181 R243G179-W181 PolarHBondContact O-N 3.47Å; G179-R243 WeakPolarHBondContact CA-O 3.35Å
180P86.3Confident85.6Confident9 Ų979.1 Ų79.16%0.05840%0.398CS..SBendtrans-61.2-29.6178.8-1724.5000114K103 G242 H244 H245K103-P180 WeakPolarHBondContact CE-O 3.31Å; K103-P180 HydrophobicContact CG-CB 4.12Å; P180-G242 WeakPolarHBondContact CD-O 3.4Å; P180-H244 VanDerWaalsContact CD-C 3.48Å; P180-H244 WeakPolarHBondContact CG-O 3.25Å; P180-H245 HydrophobicContact CG-CB 4.42Å
181W82Confident84.5Confident89 Ų8980.7 Ų80.734%0.33740%0.402SS..SBendtrans-123.4141.1176.9-61.487000109.8A109 Y110 G179 M183 G242A109-W181 HydrophobicContact CB-CD2 4.28Å; A109-W181 HydrophobicContact CB-CG 4.26Å; Y110-W181 HydrophobicContact CE2-CD2 4.29Å; Y110-W181 AromaticContact CE2-CE3 3.66Å; Y110-W181 HydrophobicContact CE2-CE3 3.66Å; Y110-W181 AromaticContact CE2-CZ3 3.99Å; Y110-W181 HydrophobicContact CE2-CZ3 3.99Å; G179-W181 PolarHBondContact O-N 3.47Å; W181-M183 HydrophobicContact CB-CE 4.08Å; W181-M183 PolarHBondContact O-N 3.12Å; W181-G242 VanDerWaalsContact CD1-CA 3.48Å; W181-G242 PolarHBondContact N-O 3Å
182E77.8Confident83.3Confident140 Ų14079.2 Ų79.265%0.65440%0.395SS*.  trans-78.3116.1173.4-60.1-156.6130.400109.7Y110 K178Y110-E182 PolarHBondContact OH-O 2.86Å; K178-E182 IonicContact NZ-OE1 2.72Å; K178-E182 PolarHBondContact NZ-OE1 2.99Å
183M76.1Confident82.5Confident53 Ų5384.1 Ų84.126%0.26142%0.419SS..  trans-132.7147.2174.5-62.6-165.9-166.800109.8A109 W181 L241A109-M183 HydrophobicContact CB-CE 3.64Å; A109-M183 WeakPolarHBondContact O-CE 3.29Å; W181-M183 HydrophobicContact CB-CE 4.08Å; W181-M183 PolarHBondContact O-N 3.12Å; M183-L241 WeakPolarHBondContact CE-O 3.2Å
184T77.9Confident81.9Confident130 Ų13077.5 Ų77.580%0.79839%0.39SS*.PPolyproline II helixtrans-66.6130.3163.941.30000109.4
185P76.4Confident81.4Confident36 Ų3673.2 Ų73.223%0.23437%0.37CS..PPolyproline II helixtrans-64.2141.5173.9-16.228.6000110.4D189 Y190 V195P185-D189 HydrophobicContact CB-CB 4.05Å; P185-Y190 HydrophobicContact CB-CD2 3.89Å; P185-Y190 HydrophobicContact CB-CE1 4.49Å; P185-Y190 HydrophobicContact CB-CE2 3.65Å; P185-Y190 HydrophobicContact CB-CG 4.42Å; P185-Y190 HydrophobicContact CG-CE1 4.36Å; P185-Y190 HydrophobicContact CG-CE2 3.96Å; P185-Y190 WeakPolarHBondContact O-CE2 3.25Å; P185-V195 HydrophobicContact CG-CG1 4.25Å
186G78.5Confident81.2Confident28 Ų2872.7 Ų72.729%0.28936%0.363SS..PPolyproline II helixtrans-73.7163.2173.200000111.7L188 D189 Y190G186-L188 PolarHBondContact O-N 3.17Å; G186-D189 PolarHBondContact N-OD2 2.98Å; G186-D189 WeakPolarHBondContact O-CB 3.2Å; G186-D189 PolarHBondContact O-N 2.95Å; G186-Y190 WeakPolarHBondContact O-CD2 3.4Å; G186-Y190 PolarHBondContact O-N 3.37Å
187F80.3Confident81.1Confident166 Ų16667.2 Ų67.273%0.72834%0.339SS*.Hα-helixtrans-49.7-45175174.7-102.6000112.4Y190 C191F187-Y190 PolarHBondContact O-N 2.87Å; F187-C191 PolarHBondContact O-N 3.11Å; F187-C191 PolarHBondContact O-SG 3.29Å
188L75.5Confident81.2Confident77 Ų7767 Ų6740%0.40334%0.34SS..Hα-helixtrans-66.9-40177-66179.8000113.2L127 H130 G186 Y190 C191 A192L127-L188 HydrophobicContact CD1-CD1 3.91Å; H130-L188 PolarHBondContact CE1-O 2.93Å; H130-L188 PolarHBondContact NE2-O 3.26Å; H130-L188 VanDerWaalsContact NE2-O 3.13Å; G186-L188 PolarHBondContact O-N 3.17Å; L188-Y190 VanDerWaalsContact C-N 3.29Å; L188-Y190 PolarHBondContact O-N 3.22Å; L188-C191 PolarHBondContact O-N 2.8Å; L188-A192 WeakPolarHBondContact O-CB 3.37Å; L188-A192 PolarHBondContact O-N 3.5Å
189D78.7Confident81.5Confident7 Ų760.4 Ų60.44%0.03731%0.311CS..Hα-helixtrans-60.4-41.5175.7-59.8-60.6000110.2P185 G186 M193 D194 R238 R243P185-D189 HydrophobicContact CB-CB 4.05Å; G186-D189 PolarHBondContact N-OD2 2.98Å; G186-D189 WeakPolarHBondContact O-CB 3.2Å; G186-D189 PolarHBondContact O-N 2.95Å; D189-M193 PolarHBondContact O-N 2.96Å; D189-M193 VanDerWaalsContact O-N 3.17Å; D189-D194 PolarHBondContact O-N 3.32Å; D189-R238 IonicContact OD1-CZ 3.42Å; D189-R238 VanDerWaalsContact OD1-CZ 3.28Å; D189-R238 IonicContact OD1-NH1 3.09Å; D189-R238 PolarHBondContact OD1-NH1 3.07Å; D189-R238 IonicContact OD1-NH2 3.34Å; D189-R238 PolarHBondContact OD1-NH2 3.24Å; D189-R243 IonicContact OD1-CZ 3.87Å; D189-R243 IonicContact OD1-NE 2.79Å; D189-R243 IonicContact OD1-NH2 3.69Å; D189-R243 IonicContact OD2-CZ 3.6Å; D189-R243 IonicContact OD2-NE 2.81Å; D189-R243 PolarHBondContact OD2-NE 3.01Å; D189-R243 IonicContact OD2-NH2 3.24Å; D189-R243 PolarHBondContact OD2-NH2 3.41Å
190Y79.9Confident81.9Confident131 Ų13159.4 Ų59.451%0.51430%0.301SS..Hα-helixtrans-63.2-49.3172.7-82.8-67.9000112.7P185 G186 F187 L188 A192 M193 V195P185-Y190 HydrophobicContact CB-CD2 3.89Å; P185-Y190 HydrophobicContact CB-CE1 4.49Å; P185-Y190 HydrophobicContact CB-CE2 3.65Å; P185-Y190 HydrophobicContact CB-CG 4.42Å; P185-Y190 HydrophobicContact CG-CE1 4.36Å; P185-Y190 HydrophobicContact CG-CE2 3.96Å; P185-Y190 WeakPolarHBondContact O-CE2 3.25Å; G186-Y190 WeakPolarHBondContact O-CD2 3.4Å; G186-Y190 PolarHBondContact O-N 3.37Å; F187-Y190 PolarHBondContact O-N 2.87Å; L188-Y190 VanDerWaalsContact C-N 3.29Å; L188-Y190 PolarHBondContact O-N 3.22Å; Y190-A192 PolarHBondContact O-N 3.11Å; Y190-M193 PolarHBondContact O-N 3.33Å; Y190-V195 HydrophobicContact CD1-CG2 3.78Å; Y190-V195 HydrophobicContact CE1-CG2 4.06Å
191C72.8Confident82.3Confident66 Ų6659 Ų5945%0.44630%0.299SS..Hα-helixtrans-64.8-26.3-179.5-67.50000113.5I132 F187 L188I132-C191 HydrophobicContact CD1-CB 3.76Å; F187-C191 PolarHBondContact O-N 3.11Å; F187-C191 PolarHBondContact O-SG 3.29Å; L188-C191 PolarHBondContact O-N 2.8Å
192A71Confident83Confident11 Ų1154.9 Ų54.99%0.09128%0.283CS..THydrogen-bonded Turntrans-93.48.2172.400000113.9H130 L188 Y190 D194H130-A192 VanDerWaalsContact CE1-CB 3.49Å; H130-A192 WeakPolarHBondContact CE1-CB 3.41Å; H130-A192 WeakPolarHBondContact NE2-CB 3.09Å; L188-A192 WeakPolarHBondContact O-CB 3.37Å; L188-A192 PolarHBondContact O-N 3.5Å; Y190-A192 PolarHBondContact O-N 3.11Å; A192-D194 PolarHBondContact O-N 2.78Å; A192-D194 VanDerWaalsContact O-N 3.11Å
193M77.6Confident84Confident104 Ų10448.2 Ų48.251%0.51225%0.252SS..THydrogen-bonded Turntrans58.514.8-179-58.9-67.6-69.700115.4A169 Q172 D189 Y190 V195A169-M193 HydrophobicContact CB-CB 3.82Å; A169-M193 HydrophobicContact CB-CG 4.46Å; Q172-M193 PolarHBondContact OE1-O 3.15Å; Q172-M193 VanDerWaalsContact OE1-O 3.12Å; D189-M193 PolarHBondContact O-N 2.96Å; D189-M193 VanDerWaalsContact O-N 3.17Å; Y190-M193 PolarHBondContact O-N 3.33Å; M193-V195 PolarHBondContact O-N 3.44Å
194D80.8Confident85Confident7 Ų745.7 Ų45.74%0.03724%0.24CC..  trans-85.357.1-176-163.632.7000111Q172 D189 A192 A201 H202 R238 H244Q172-D194 PolarHBondContact NE2-OD1 3.1Å; D189-D194 PolarHBondContact O-N 3.32Å; A192-D194 PolarHBondContact O-N 2.78Å; A192-D194 VanDerWaalsContact O-N 3.11Å; D194-A201 HydrophobicContact CB-CB 4.32Å; D194-A201 WeakPolarHBondContact OD1-CB 3.26Å; D194-H202 IonicContact OD2-CE1 3.35Å; D194-H202 PolarHBondContact OD2-CE1 2.82Å; D194-H202 IonicContact OD2-ND1 3.44Å; D194-H202 PolarHBondContact OD2-ND1 2.68Å; D194-R238 IonicContact OD2-CZ 2.65Å; D194-R238 IonicContact OD2-NE 3.28Å; D194-R238 IonicContact OD2-NH2 2.68Å; D194-R238 PolarHBondContact OD2-NH2 3.24Å; D194-H244 IonicContact OD1-CE1 3.8Å; D194-H244 PolarHBondContact OD1-CE1 2.78Å; D194-H244 IonicContact OD2-CE1 3.67Å; D194-H244 IonicContact OD2-NE2 3.91Å
195V83.4Confident86Confident55 Ų5539.7 Ų39.733%0.33320%0.202SC..  trans-92.2-25.3-172.4176.90000112.5P185 Y190 M193P185-V195 HydrophobicContact CG-CG1 4.25Å; Y190-V195 HydrophobicContact CD1-CG2 3.78Å; Y190-V195 HydrophobicContact CE1-CG2 4.06Å; M193-V195 PolarHBondContact O-N 3.44Å
196Y89.7Confident87Confident82 Ų8238 Ų3832%0.32219%0.191SC..SBendtrans-114.6157.6179.6-59.9-71.9000110.9Q172 K176Q172-Y196 HydrophobicContact CB-CD2 4.23Å; Q172-Y196 PolarHBondContact NE2-O 3.45Å; Q172-Y196 VanDerWaalsContact NE2-O 3.11Å; Q172-Y196 VanDerWaalsContact O-CD2 3.22Å; Q172-Y196 WeakPolarHBondContact O-CD2 3.2Å; Q172-Y196 PolarHBondContact OE1-O 3.07Å; K176-Y196 VanDerWaalsContact CA-CD1 3.48Å; K176-Y196 HydrophobicContact CB-CD1 3.91Å; K176-Y196 HydrophobicContact CB-CE1 3.68Å; K176-Y196 HydrophobicContact CB-CE2 4.41Å; K176-Y196 HydrophobicContact CB-CG 4.36Å; K176-Y196 HydrophobicContact CG-CD1 4.49Å; K176-Y196 HydrophobicContact CG-CD2 4.43Å; K176-Y196 HydrophobicContact CG-CE1 4.03Å; K176-Y196 HydrophobicContact CG-CE2 3.95Å
197S89.9Confident88Confident2 Ų237.1 Ų37.11%0.01418%0.182CC..  trans-81.7-30.2-168.5850000114.3R177 K178 P199 A200 H244 D248R177-S197 WeakPolarHBondContact CD-OG 3.48Å; R177-S197 WeakPolarHBondContact CG-OG 3.16Å; R177-S197 PolarHBondContact O-N 2.8Å; R177-S197 PolarHBondContact O-OG 2.95Å; K178-S197 PolarHBondContact O-OG 2.98Å; S197-P199 CarbonylContact O-C 3.31Å; S197-P199 VanDerWaalsContact O-C 3.31Å; S197-A200 PolarHBondContact O-N 3.05Å; S197-H244 PolarHBondContact O-ND1 3.11Å; S197-D248 WeakPolarHBondContact CB-OD2 3.35Å; S197-D248 VanDerWaalsContact O-CB 3.28Å; S197-D248 WeakPolarHBondContact O-CB 3.28Å; S197-D248 VanDerWaalsContact O-CG 3.32Å; S197-D248 PolarHBondContact OG-OD2 3.47Å
198F93.6Very high88.9Confident49 Ų4929.2 Ų29.222%0.21515%0.147CC..SBendtrans-109.1128-174.9-175.9-83.6000113V171 Q172 I175 R177 D248 C251V171-F198 HydrophobicContact CG1-CD1 4.28Å; V171-F198 HydrophobicContact CG1-CE1 4.17Å; Q172-F198 WeakPolarHBondContact CA-O 3.01Å; Q172-F198 VanDerWaalsContact CG-O 3.28Å; Q172-F198 WeakPolarHBondContact CG-O 3.47Å; I175-F198 HydrophobicContact CB-CD1 4.45Å; I175-F198 HydrophobicContact CD1-CD1 3.6Å; I175-F198 HydrophobicContact CD1-CE1 3.57Å; I175-F198 HydrophobicContact CG2-CB 4.41Å; I175-F198 HydrophobicContact CG2-CD1 4.09Å; R177-F198 HydrophobicContact CB-CB 3.78Å; R177-F198 HydrophobicContact CG-CB 4.44Å; F198-D248 WeakPolarHBondContact CB-OD1 3.27Å; F198-D248 WeakPolarHBondContact CD2-OD1 3.31Å; F198-C251 HydrophobicContact CE2-CB 3.61Å; F198-C251 HydrophobicContact CZ-CB 4.01Å
199P95.5Very high89.9Confident3 Ų325.6 Ų25.62%0.01913%0.128CC..SBendcis-76.4164.1-13.433-35.9000111V168 V171 Q172 S197 A201 L255V168-P199 HydrophobicContact CG1-CG 4.07Å; V168-P199 HydrophobicContact CG2-CG 4.27Å; V171-P199 HydrophobicContact CG1-CG 4.43Å; Q172-P199 PolarHBondContact NE2-O 3Å; S197-P199 CarbonylContact O-C 3.31Å; S197-P199 VanDerWaalsContact O-C 3.31Å; P199-A201 PolarHBondContact O-N 3.43Å; P199-A201 VanDerWaalsContact O-N 3.11Å; P199-L255 HydrophobicContact CB-CD2 4.26Å; P199-L255 HydrophobicContact CG-CD2 3.66Å
200A95.9Very high90.9Very high2 Ų225.4 Ų25.42%0.01713%0.128CC..  trans-73.5104.2178.200000111.7S197 H202 A203 S204 H244 D248S197-A200 PolarHBondContact O-N 3.05Å; A200-H202 VanDerWaalsContact C-N 3.3Å; A200-H202 PolarHBondContact O-N 3.25Å; A200-A203 HydrophobicContact CB-CB 4Å; A200-A203 WeakPolarHBondContact O-CB 3.45Å; A200-A203 PolarHBondContact O-N 3.09Å; A200-S204 PolarHBondContact O-N 2.98Å; A200-H244 HydrophobicContact CB-CB 4.25Å; A200-D248 HydrophobicContact CB-CB 4.24Å; A200-D248 WeakPolarHBondContact CB-O 3.34Å; A200-D248 PolarHBondContact N-O 3.04Å; A200-D248 VanDerWaalsContact N-O 3.07Å
201A95.4Very high91.8Very high2 Ų222.6 Ų22.62%0.01712%0.118CC..Hα-helixtrans-59-38.3-173.100000113.9V168 D194 P199 S204 R205V168-A201 HydrophobicContact CB-CB 4.48Å; V168-A201 HydrophobicContact CG1-CB 3.53Å; D194-A201 HydrophobicContact CB-CB 4.32Å; D194-A201 WeakPolarHBondContact OD1-CB 3.26Å; P199-A201 PolarHBondContact O-N 3.43Å; P199-A201 VanDerWaalsContact O-N 3.11Å; A201-S204 PolarHBondContact O-N 3.4Å; A201-R205 PolarHBondContact O-N 3.23Å
202H96.3Very high93Very high1 Ų119.5 Ų19.51%0.00510%0.097CC..Hα-helixtrans-66.9-35.2177.4-71.475.3000112.5A126 H130 D194 A200 A206 V234 R238A126-H202 PolarHBondContact O-CD2 3.49Å; A126-H202 VanDerWaalsContact O-CD2 3.24Å; H130-H202 AromaticContact CD2-CE1 3.95Å; H130-H202 AromaticContact CD2-NE2 3.54Å; D194-H202 IonicContact OD2-CE1 3.35Å; D194-H202 PolarHBondContact OD2-CE1 2.82Å; D194-H202 IonicContact OD2-ND1 3.44Å; D194-H202 PolarHBondContact OD2-ND1 2.68Å; A200-H202 VanDerWaalsContact C-N 3.3Å; A200-H202 PolarHBondContact O-N 3.25Å; H202-A206 VanDerWaalsContact O-CB 3.24Å; H202-A206 WeakPolarHBondContact O-CB 3.28Å; H202-A206 PolarHBondContact O-N 2.96Å; H202-A206 VanDerWaalsContact O-N 3.12Å; H202-V234 HydrophobicContact CB-CG1 4.14Å; H202-R238 HydrophobicContact CB-CG 3.74Å; H202-R238 PolarHBondContact ND1-NE 2.79Å
203A98Very high94.2Very high1 Ų120.2 Ų20.21%0.00810%0.099CC..Hα-helixtrans-71-42.4175.400000111A200 A206 A207 M249 F253A200-A203 HydrophobicContact CB-CB 4Å; A200-A203 WeakPolarHBondContact O-CB 3.45Å; A200-A203 PolarHBondContact O-N 3.09Å; A203-A206 PolarHBondContact O-N 3.36Å; A203-A207 WeakPolarHBondContact O-CB 3.49Å; A203-A207 PolarHBondContact O-N 3.02Å; A203-M249 HydrophobicContact CB-CG 4.18Å; A203-F253 HydrophobicContact CB-CD1 3.67Å; A203-F253 HydrophobicContact CB-CE1 3.64Å; A203-F253 HydrophobicContact CB-CG 4.2Å; A203-F253 HydrophobicContact CB-CZ 4.17Å; A203-F253 VanDerWaalsContact O-CD1 3.31Å; A203-F253 WeakPolarHBondContact O-CD1 3.44Å
204S98.4Very high95.2Very high0 Ų016.9 Ų16.90%08%0.083CC..Hα-helixtrans-58.7-55.6175.9-167.80000112D164 A200 A201 A206 A207 M208 G252 G256D164-S204 VanDerWaalsContact OD1-CB 3.25Å; D164-S204 WeakPolarHBondContact OD1-CB 3.12Å; D164-S204 PolarHBondContact OD1-OG 2.99Å; A200-S204 PolarHBondContact O-N 2.98Å; A201-S204 PolarHBondContact O-N 3.4Å; S204-A206 PolarHBondContact O-N 3.4Å; S204-A207 PolarHBondContact O-N 3.26Å; S204-M208 VanDerWaalsContact O-CB 3.31Å; S204-M208 WeakPolarHBondContact O-CB 3.41Å; S204-M208 PolarHBondContact O-N 2.62Å; S204-G252 WeakPolarHBondContact CA-O 3.38Å; S204-G252 WeakPolarHBondContact CB-O 3.39Å; S204-G256 VanDerWaalsContact O-CA 3.24Å; S204-G256 WeakPolarHBondContact O-CA 3.33Å; S204-G256 PolarHBondContact OG-N 2.88Å
205R97.9Very high95.9Very high3 Ų318.9 Ų18.91%0.01110%0.098CC..Hα-helixtrans-56.1-47.2175.6-75.2-173.3-78.7-84.36.9112.9G129 D164 A201 M208 V209G129-R205 PolarHBondContact O-NE 3.38Å; G129-R205 VanDerWaalsContact O-NE 3.09Å; D164-R205 HydrophobicContact CB-CG 4.5Å; D164-R205 WeakPolarHBondContact OD2-CG 3.22Å; D164-R205 IonicContact OD2-NH1 3.49Å; D164-R205 PolarHBondContact OD2-NH1 3.25Å; A201-R205 PolarHBondContact O-N 3.23Å; R205-M208 PolarHBondContact O-N 3.44Å; R205-V209 VanDerWaalsContact O-CB 3.29Å; R205-V209 WeakPolarHBondContact O-CB 3.49Å; R205-V209 VanDerWaalsContact O-CG2 3.25Å; R205-V209 WeakPolarHBondContact O-CG2 3.35Å; R205-V209 PolarHBondContact O-N 3.11Å
206A98.3Very high96.4Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-69.5-37.9-173.600000112.4H202 A203 S204 S210 W230 A231 V234H202-A206 VanDerWaalsContact O-CB 3.24Å; H202-A206 WeakPolarHBondContact O-CB 3.28Å; H202-A206 PolarHBondContact O-N 2.96Å; H202-A206 VanDerWaalsContact O-N 3.12Å; A203-A206 PolarHBondContact O-N 3.36Å; S204-A206 PolarHBondContact O-N 3.4Å; A206-S210 WeakPolarHBondContact O-CB 3.45Å; A206-S210 PolarHBondContact O-N 3.3Å; A206-S210 PolarHBondContact O-OG 3.33Å; A206-W230 HydrophobicContact CB-CE3 4.46Å; A206-W230 HydrophobicContact CB-CH2 3.91Å; A206-W230 HydrophobicContact CB-CZ3 3.88Å; A206-A231 HydrophobicContact CB-CB 3.89Å; A206-A231 WeakPolarHBondContact O-CB 3.2Å; A206-V234 HydrophobicContact CB-CB 4.02Å; A206-V234 HydrophobicContact CB-CG1 3.77Å
207A98.6Very high96.6Very high11 Ų1118.7 Ų18.79%0.09110%0.098CC..Hα-helixtrans-65.1-45.8171.700000112.3A203 S204 K211 F253A203-A207 WeakPolarHBondContact O-CB 3.49Å; A203-A207 PolarHBondContact O-N 3.02Å; S204-A207 PolarHBondContact O-N 3.26Å; A207-K211 VanDerWaalsContact O-CB 3.32Å; A207-K211 WeakPolarHBondContact O-CB 3.26Å; A207-K211 PolarHBondContact O-N 2.98Å; A207-F253 HydrophobicContact CB-CB 4.38Å; A207-F253 HydrophobicContact CB-CD1 3.91Å
208M98.6Very high96.7Very high0 Ų025.9 Ų25.90%014%0.141CC..Hα-helixtrans-58.6-54.3178.1-179.3-85.4-74.300111.2A160 L161 D164 S204 R205 K211 F212 G256 H259 F260A160-M208 HydrophobicContact CB-CE 3.99Å; A160-M208 HydrophobicContact CB-CG 4.46Å; A160-M208 HydrophobicContact CB-SD 3.51Å; A160-M208 VanDerWaalsContact CB-SD 3.51Å; A160-M208 WeakPolarHBondContact O-CE 3.45Å; L161-M208 HydrophobicContact CD2-CE 3.81Å; L161-M208 HydrophobicContact CG-CE 4.06Å; D164-M208 HydrophobicContact CB-CE 4.1Å; S204-M208 VanDerWaalsContact O-CB 3.31Å; S204-M208 WeakPolarHBondContact O-CB 3.41Å; S204-M208 PolarHBondContact O-N 2.62Å; R205-M208 PolarHBondContact O-N 3.44Å; M208-K211 PolarHBondContact O-N 3.42Å; M208-F212 VanDerWaalsContact O-CB 3.29Å; M208-F212 WeakPolarHBondContact O-CB 3.4Å; M208-F212 PolarHBondContact O-N 3.43Å; M208-G256 WeakPolarHBondContact CA-O 3.45Å; M208-G256 VanDerWaalsContact CB-O 3.27Å; M208-G256 WeakPolarHBondContact CB-O 3.19Å; M208-H259 HydrophobicContact CG-CB 3.97Å; M208-F260 HydrophobicContact CG-CB 4.48Å
209V98.4Very high96.7Very high0 Ų025.2 Ų25.20%014%0.14CC..Hα-helixtrans-64.5-43.9-178.7171.90000111.3W134 L157 L161 R205 F212 L213 W230W134-V209 HydrophobicContact CD2-CG1 4.08Å; W134-V209 HydrophobicContact CD2-CG2 4.34Å; W134-V209 HydrophobicContact CE3-CG1 3.84Å; W134-V209 HydrophobicContact CE3-CG2 4.48Å; W134-V209 HydrophobicContact CH2-CG1 3.51Å; W134-V209 HydrophobicContact CZ2-CG1 3.76Å; W134-V209 HydrophobicContact CZ3-CG1 3.55Å; L157-V209 HydrophobicContact CD1-CG2 4.36Å; L161-V209 HydrophobicContact CD2-CG2 3.86Å; R205-V209 VanDerWaalsContact O-CB 3.29Å; R205-V209 WeakPolarHBondContact O-CB 3.49Å; R205-V209 VanDerWaalsContact O-CG2 3.25Å; R205-V209 WeakPolarHBondContact O-CG2 3.35Å; R205-V209 PolarHBondContact O-N 3.11Å; V209-F212 PolarHBondContact O-N 2.87Å; V209-L213 HydrophobicContact CG1-CD1 3.66Å; V209-L213 HydrophobicContact CG1-CG 4.22Å; V209-L213 WeakPolarHBondContact O-CB 3.23Å; V209-L213 VanDerWaalsContact O-CG 3.28Å; V209-L213 WeakPolarHBondContact O-CG 3.49Å; V209-L213 PolarHBondContact O-N 3.45Å; V209-W230 HydrophobicContact CG1-CH2 4.47Å; V209-W230 HydrophobicContact CG1-CZ3 4.5Å
210S98.3Very high96.7Very high4 Ų427.9 Ų27.93%0.02816%0.162CC..Hα-helixtrans-62-45.7176.1-75.60000112A206 F212 L213 L214 L227 W230A206-S210 WeakPolarHBondContact O-CB 3.45Å; A206-S210 PolarHBondContact O-N 3.3Å; A206-S210 PolarHBondContact O-OG 3.33Å; S210-F212 VanDerWaalsContact C-N 3.34Å; S210-F212 PolarHBondContact O-N 3.27Å; S210-L213 PolarHBondContact O-N 3.43Å; S210-L214 VanDerWaalsContact O-CB 3.26Å; S210-L214 WeakPolarHBondContact O-CB 3.28Å; S210-L214 WeakPolarHBondContact O-CD1 3.4Å; S210-L214 WeakPolarHBondContact O-CG 3.43Å; S210-L214 PolarHBondContact O-N 3.12Å; S210-L227 VanDerWaalsContact OG-CD1 3.25Å; S210-L227 WeakPolarHBondContact OG-CD1 3.46Å; S210-L227 WeakPolarHBondContact OG-CG 3.28Å; S210-L227 PolarHBondContact OG-O 2.77Å; S210-W230 VanDerWaalsContact OG-CE3 3.27Å; S210-W230 WeakPolarHBondContact OG-CZ3 3.38Å
211K98.3Very high96.7Very high71 Ų7132.7 Ų32.731%0.30919%0.191SC..Hα-helixtrans-64.1-39.9177.5177.76217498.30111.7A207 M208 L214 S215 L257 F260A207-K211 VanDerWaalsContact O-CB 3.32Å; A207-K211 WeakPolarHBondContact O-CB 3.26Å; A207-K211 PolarHBondContact O-N 2.98Å; M208-K211 PolarHBondContact O-N 3.42Å; K211-L214 PolarHBondContact O-N 3.08Å; K211-S215 PolarHBondContact NZ-OG 2.96Å; K211-S215 WeakPolarHBondContact O-CB 3.35Å; K211-S215 PolarHBondContact O-N 2.91Å; K211-S215 VanDerWaalsContact O-N 3.09Å; K211-S215 PolarHBondContact O-OG 2.66Å; K211-L257 HydrophobicContact CB-CD2 4.03Å; K211-L257 HydrophobicContact CG-CD2 4.2Å; K211-F260 HydrophobicContact CB-CB 4.34Å; K211-F260 HydrophobicContact CB-CD1 4.42Å; K211-F260 HydrophobicContact CB-CD2 4.31Å; K211-F260 HydrophobicContact CB-CG 4.05Å; K211-F260 HydrophobicContact CD-CD1 4.2Å; K211-F260 HydrophobicContact CD-CE1 4.15Å; K211-F260 VanDerWaalsContact CE-CE1 3.45Å; K211-F260 HydrophobicContact CG-CB 4.06Å; K211-F260 HydrophobicContact CG-CD1 3.3Å; K211-F260 HydrophobicContact CG-CD2 3.8Å; K211-F260 HydrophobicContact CG-CE1 3.67Å; K211-F260 HydrophobicContact CG-CE2 4.12Å; K211-F260 HydrophobicContact CG-CG 3.38Å; K211-F260 HydrophobicContact CG-CZ 4.07Å
212F98.3Very high96.7Very high1 Ų136.7 Ų36.70%0.00422%0.217CC..Hα-helixtrans-59-56.1175.6-171.1-79.8000111.3V153 N156 L157 M208 V209 S210 L214 S215 H216 F260 V263 W267V153-F212 HydrophobicContact CG1-CE1 3.77Å; V153-F212 HydrophobicContact CG1-CZ 4.28Å; V153-F212 WeakPolarHBondContact O-CZ 3.43Å; N156-F212 HydrophobicContact CB-CE2 4.15Å; N156-F212 HydrophobicContact CB-CZ 4.05Å; L157-F212 HydrophobicContact CB-CD1 4.33Å; L157-F212 HydrophobicContact CB-CE1 3.69Å; L157-F212 HydrophobicContact CB-CE2 4.41Å; L157-F212 HydrophobicContact CB-CZ 3.75Å; L157-F212 HydrophobicContact CD1-CD1 3.88Å; L157-F212 HydrophobicContact CD1-CE1 4.13Å; L157-F212 HydrophobicContact CD1-CG 4.13Å; L157-F212 HydrophobicContact CG-CE1 4.35Å; M208-F212 VanDerWaalsContact O-CB 3.29Å; M208-F212 WeakPolarHBondContact O-CB 3.4Å; M208-F212 PolarHBondContact O-N 3.43Å; V209-F212 PolarHBondContact O-N 2.87Å; S210-F212 VanDerWaalsContact C-N 3.34Å; S210-F212 PolarHBondContact O-N 3.27Å; F212-L214 VanDerWaalsContact C-N 3.31Å; F212-L214 PolarHBondContact O-N 2.97Å; F212-S215 PolarHBondContact O-N 3.33Å; F212-H216 AromaticContact CD1-CD2 3.88Å; F212-H216 AromaticContact CD2-CD2 3.9Å; F212-H216 HydrophobicContact CE1-CB 4.49Å; F212-H216 AromaticContact CE1-CD2 3.91Å; F212-H216 AromaticContact CE2-CD2 3.95Å; F212-H216 AromaticContact CG-CD2 3.86Å; F212-H216 AromaticContact CZ-CD2 3.94Å; F212-H216 PolarHBondContact O-CD2 3.25Å; F212-H216 PolarHBondContact O-N 3.11Å; F212-F260 HydrophobicContact CB-CD2 4Å; F212-F260 HydrophobicContact CB-CE2 4.38Å; F212-F260 HydrophobicContact CD2-CD2 4.28Å; F212-F260 HydrophobicContact CD2-CE2 4.48Å; F212-V263 HydrophobicContact CE2-CG1 4.36Å; F212-W267 HydrophobicContact CD2-CZ3 4.44Å; F212-W267 AromaticContact CE2-CH2 3.89Å; F212-W267 HydrophobicContact CE2-CH2 3.89Å; F212-W267 AromaticContact CE2-CZ3 3.51Å; F212-W267 HydrophobicContact CE2-CZ3 3.51Å; F212-W267 AromaticContact CZ-CH2 3.62Å; F212-W267 HydrophobicContact CZ-CH2 3.62Å; F212-W267 AromaticContact CZ-CZ3 3.78Å; F212-W267 HydrophobicContact CZ-CZ3 3.78Å
213L97.5Very high96.7Very high26 Ų2641.2 Ų41.214%0.13624%0.241CC..Hα-helixtrans-64.9-33.1-179.3-62.6172000112.3W134 V209 S210 S215 L217 L227W134-L213 HydrophobicContact CH2-CD1 4.03Å; W134-L213 HydrophobicContact CZ3-CD1 4.24Å; V209-L213 HydrophobicContact CG1-CD1 3.66Å; V209-L213 HydrophobicContact CG1-CG 4.22Å; V209-L213 WeakPolarHBondContact O-CB 3.23Å; V209-L213 VanDerWaalsContact O-CG 3.28Å; V209-L213 WeakPolarHBondContact O-CG 3.49Å; V209-L213 PolarHBondContact O-N 3.45Å; S210-L213 PolarHBondContact O-N 3.43Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.46Å; L213-L217 HydrophobicContact CB-CD1 4.44Å; L213-L217 HydrophobicContact CD2-CD1 3.58Å; L213-L217 HydrophobicContact CD2-CG 4.36Å; L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 PolarHBondContact O-N 3.48Å; L213-L217 VanDerWaalsContact O-N 3.15Å; L213-L227 HydrophobicContact CB-CD2 3.82Å; L213-L227 HydrophobicContact CD1-CD1 4.36Å
214L97.2Very high96.6Very high34 Ų3445.2 Ų45.218%0.17826%0.255CS..Hα-helixtrans-66.1-28.2172.6-74.6169.8000113.6S210 K211 F212 R224 L227 V228S210-L214 VanDerWaalsContact O-CB 3.26Å; S210-L214 WeakPolarHBondContact O-CB 3.28Å; S210-L214 WeakPolarHBondContact O-CD1 3.4Å; S210-L214 WeakPolarHBondContact O-CG 3.43Å; S210-L214 PolarHBondContact O-N 3.12Å; K211-L214 PolarHBondContact O-N 3.08Å; F212-L214 VanDerWaalsContact C-N 3.31Å; F212-L214 PolarHBondContact O-N 2.97Å; L214-R224 HydrophobicContact CD2-CB 3.54Å; L214-R224 HydrophobicContact CD2-CG 3.61Å; L214-R224 PolarHBondContact O-NH1 3.27Å; L214-L227 HydrophobicContact CD2-CD2 4.1Å; L214-L227 HydrophobicContact CG-CD2 3.86Å; L214-V228 HydrophobicContact CD1-CG2 3.8Å
215S96.3Very high96.6Very high49 Ų4950.3 Ų50.334%0.34328%0.282SS..Hα-helixtrans-89.4-44.2-177.1-50.40000111.7K211 F212 L213 F260K211-S215 PolarHBondContact NZ-OG 2.96Å; K211-S215 WeakPolarHBondContact O-CB 3.35Å; K211-S215 PolarHBondContact O-N 2.91Å; K211-S215 VanDerWaalsContact O-N 3.09Å; K211-S215 PolarHBondContact O-OG 2.66Å; F212-S215 PolarHBondContact O-N 3.33Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.46Å; S215-F260 WeakPolarHBondContact OG-CZ 3.43Å
216H94.6Very high96.5Very high58 Ų5855.1 Ų55.127%0.26931%0.307SS..Hα-helixtrans-99.3-8.8-171.1-55.6-68.7000115V153 F212 F260 W267V153-H216 HydrophobicContact CG1-CB 4.21Å; V153-H216 HydrophobicContact CG2-CB 4.42Å; F212-H216 AromaticContact CD1-CD2 3.88Å; F212-H216 AromaticContact CD2-CD2 3.9Å; F212-H216 HydrophobicContact CE1-CB 4.49Å; F212-H216 AromaticContact CE1-CD2 3.91Å; F212-H216 AromaticContact CE2-CD2 3.95Å; F212-H216 AromaticContact CG-CD2 3.86Å; F212-H216 AromaticContact CZ-CD2 3.94Å; F212-H216 PolarHBondContact O-CD2 3.25Å; F212-H216 PolarHBondContact O-N 3.11Å; H216-F260 AromaticContact NE2-CE2 3.65Å; H216-W267 AromaticContact CD2-CH2 3.76Å; H216-W267 AromaticContact CD2-CZ3 3.8Å; H216-W267 AromaticContact CE1-CE3 3.97Å; H216-W267 AromaticContact CE1-CH2 3.46Å; H216-W267 VanDerWaalsContact CE1-CH2 3.46Å; H216-W267 WeakPolarHBondContact CE1-CH2 3.11Å; H216-W267 AromaticContact CE1-CZ3 3.31Å; H216-W267 WeakPolarHBondContact CE1-CZ3 3.09Å; H216-W267 AromaticContact CG-CH2 3.71Å; H216-W267 AromaticContact ND1-CH2 3.51Å; H216-W267 AromaticContact ND1-CZ3 3.88Å; H216-W267 AromaticContact NE2-CH2 3.65Å; H216-W267 AromaticContact NE2-CZ3 3.28Å; H216-W267 VanDerWaalsContact NE2-CZ3 3.28Å; H216-W267 WeakPolarHBondContact NE2-CZ3 3.41Å
217L93.6Very high96.5Very high76 Ų7656.2 Ų56.240%0.39831%0.313SS..SBendtrans-119.1142.1176.2-58.2179.7000112.5L213 L219 R224L213-L217 HydrophobicContact CB-CD1 4.44Å; L213-L217 HydrophobicContact CD2-CD1 3.58Å; L213-L217 HydrophobicContact CD2-CG 4.36Å; L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 PolarHBondContact O-N 3.48Å; L213-L217 VanDerWaalsContact O-N 3.15Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 HydrophobicContact CB-CD1 3.39Å; L217-L219 HydrophobicContact CD1-CD1 4.31Å; L217-L219 PolarHBondContact O-N 3.49Å; L217-R224 PolarHBondContact O-NH2 2.93Å
218V92.4Very high96.4Very high152 Ų15259.6 Ų59.692%0.92133%0.332SS*.  trans-81.273.6179.4-172.10000110.3
219L93.4Very high96.4Very high36 Ų3663.6 Ų63.619%0.18835%0.353CS..  trans-79.3137.9176-87.762.8000111.9L217 L223 R224 L227L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 HydrophobicContact CB-CD1 3.39Å; L217-L219 HydrophobicContact CD1-CD1 4.31Å; L217-L219 PolarHBondContact O-N 3.49Å; L219-L223 HydrophobicContact CB-CB 4.19Å; L219-L223 HydrophobicContact CD2-CB 4.01Å; L219-L223 HydrophobicContact CG-CB 4.06Å; L219-L223 HydrophobicContact CG-CD1 4.5Å; L219-R224 HydrophobicContact CB-CG 3.69Å; L219-R224 PolarHBondContact O-NE 2.81Å; L219-R224 PolarHBondContact O-NH2 3.44Å; L219-L227 HydrophobicContact CD2-CD2 3.69Å
220A95.6Very high96.4Very high59 Ų5965.8 Ų65.849%0.48836%0.361SS..  trans-63.4150.5165.100000111.4L223 R224A220-L223 WeakPolarHBondContact O-CB 3.49Å; A220-L223 PolarHBondContact O-N 3.29Å; A220-R224 PolarHBondContact O-N 3.43Å; A220-R224 VanDerWaalsContact O-N 3.12Å
221V95Very high96.4Very high103 Ų10365.9 Ų65.962%0.62436%0.363SS*.Hα-helixtrans-51.7-43.5-173.4-178.70000114.1L223 R224 I225V221-L223 VanDerWaalsContact C-N 3.34Å; V221-L223 PolarHBondContact O-N 3.19Å; V221-R224 WeakPolarHBondContact O-CB 3.32Å; V221-R224 PolarHBondContact O-N 2.96Å; V221-R224 VanDerWaalsContact O-N 3.16Å; V221-I225 HydrophobicContact CG1-CD1 4.12Å; V221-I225 WeakPolarHBondContact O-CG1 3.39Å; V221-I225 PolarHBondContact O-N 3.34Å; V221-I225 VanDerWaalsContact O-N 3.13Å
222P96.4Very high96.4Very high86 Ų8667.4 Ų67.456%0.55837%0.369SS*.Hα-helixtrans-61.6-38.5176.9-2435.5000113.4R224 I225 L226P222-R224 VanDerWaalsContact C-N 3.33Å; P222-I225 PolarHBondContact O-N 3.13Å; P222-L226 WeakPolarHBondContact O-CB 3.24Å; P222-L226 VanDerWaalsContact O-CG 3.32Å; P222-L226 WeakPolarHBondContact O-CG 3.4Å; P222-L226 PolarHBondContact O-N 2.95Å
223L95.8Very high96.4Very high95 Ų9570.9 Ų70.950%0.49739%0.388SS..Hα-helixtrans-66.8-36.3176.6-62.4175.8000111.3L219 A220 V221 L226 L227L219-L223 HydrophobicContact CB-CB 4.19Å; L219-L223 HydrophobicContact CD2-CB 4.01Å; L219-L223 HydrophobicContact CG-CB 4.06Å; L219-L223 HydrophobicContact CG-CD1 4.5Å; A220-L223 WeakPolarHBondContact O-CB 3.49Å; A220-L223 PolarHBondContact O-N 3.29Å; V221-L223 VanDerWaalsContact C-N 3.34Å; V221-L223 PolarHBondContact O-N 3.19Å; L223-L226 HydrophobicContact CD2-CD1 4.43Å; L223-L226 PolarHBondContact O-N 3.32Å; L223-L227 VanDerWaalsContact O-CB 3.23Å; L223-L227 WeakPolarHBondContact O-CB 3.29Å; L223-L227 PolarHBondContact O-N 3.09Å
224R96.4Very high96.4Very high85 Ų8569.6 Ų69.632%0.32138%0.381SS..Hα-helixtrans-61.5-44.3174.7-61.7-174.5175.5-92.7-10.9111.5L214 L217 L219 A220 V221 P222 L227 V228L214-R224 HydrophobicContact CD2-CB 3.54Å; L214-R224 HydrophobicContact CD2-CG 3.61Å; L214-R224 PolarHBondContact O-NH1 3.27Å; L217-R224 PolarHBondContact O-NH2 2.93Å; L219-R224 HydrophobicContact CB-CG 3.69Å; L219-R224 PolarHBondContact O-NE 2.81Å; L219-R224 PolarHBondContact O-NH2 3.44Å; A220-R224 PolarHBondContact O-N 3.43Å; A220-R224 VanDerWaalsContact O-N 3.12Å; V221-R224 WeakPolarHBondContact O-CB 3.32Å; V221-R224 PolarHBondContact O-N 2.96Å; V221-R224 VanDerWaalsContact O-N 3.16Å; P222-R224 VanDerWaalsContact C-N 3.33Å; R224-L227 PolarHBondContact O-N 3.12Å; R224-V228 WeakPolarHBondContact O-CG2 3.3Å; R224-V228 PolarHBondContact O-N 3.36Å
225I97.1Very high96.4Very high108 Ų10868 Ų6855%0.55437%0.373SS*.Hα-helixtrans-65.1-47.5177.4-63.5166.4000110.7V221 P222 L227 V228 L229V221-I225 HydrophobicContact CG1-CD1 4.12Å; V221-I225 WeakPolarHBondContact O-CG1 3.39Å; V221-I225 PolarHBondContact O-N 3.34Å; V221-I225 VanDerWaalsContact O-N 3.13Å; P222-I225 PolarHBondContact O-N 3.13Å; I225-L227 VanDerWaalsContact C-N 3.26Å; I225-L227 PolarHBondContact O-N 3.42Å; I225-V228 PolarHBondContact O-N 2.99Å; I225-L229 WeakPolarHBondContact O-CB 3.35Å; I225-L229 PolarHBondContact O-N 3.01Å
226L97.1Very high96.4Very high104 Ų10467.3 Ų67.355%0.54537%0.365SS..Hα-helixtrans-58.7-36.7177.6-74.6167.4000112.5P222 L223 L229 W230P222-L226 WeakPolarHBondContact O-CB 3.24Å; P222-L226 VanDerWaalsContact O-CG 3.32Å; P222-L226 WeakPolarHBondContact O-CG 3.4Å; P222-L226 PolarHBondContact O-N 2.95Å; L223-L226 HydrophobicContact CD2-CD1 4.43Å; L223-L226 PolarHBondContact O-N 3.32Å; L226-L229 PolarHBondContact O-N 3.13Å; L226-W230 VanDerWaalsContact O-CB 3.25Å; L226-W230 WeakPolarHBondContact O-CB 3.33Å; L226-W230 PolarHBondContact O-N 3.38Å
227L97.2Very high96.5Very high23 Ų2364.5 Ų64.512%0.1235%0.352CS..Hα-helixtrans-73.5-34.5-179.7-177.660.7000113.1S210 L213 L214 L219 L223 R224 I225 W230 A231S210-L227 VanDerWaalsContact OG-CD1 3.25Å; S210-L227 WeakPolarHBondContact OG-CD1 3.46Å; S210-L227 WeakPolarHBondContact OG-CG 3.28Å; S210-L227 PolarHBondContact OG-O 2.77Å; L213-L227 HydrophobicContact CB-CD2 3.82Å; L213-L227 HydrophobicContact CD1-CD1 4.36Å; L214-L227 HydrophobicContact CD2-CD2 4.1Å; L214-L227 HydrophobicContact CG-CD2 3.86Å; L219-L227 HydrophobicContact CD2-CD2 3.69Å; L223-L227 VanDerWaalsContact O-CB 3.23Å; L223-L227 WeakPolarHBondContact O-CB 3.29Å; L223-L227 PolarHBondContact O-N 3.09Å; R224-L227 PolarHBondContact O-N 3.12Å; I225-L227 VanDerWaalsContact C-N 3.26Å; I225-L227 PolarHBondContact O-N 3.42Å; L227-W230 HydrophobicContact CD1-CE3 3.94Å; L227-W230 HydrophobicContact CD1-CZ3 4.34Å; L227-A231 PolarHBondContact O-N 3.33Å
228V97.8Very high96.6Very high82 Ų8261.3 Ų61.350%0.49733%0.334SS..Hα-helixtrans-69.7-44.4170175.70000110.6L214 R224 I225 W230 A231 F232L214-V228 HydrophobicContact CD1-CG2 3.8Å; R224-V228 WeakPolarHBondContact O-CG2 3.3Å; R224-V228 PolarHBondContact O-N 3.36Å; I225-V228 PolarHBondContact O-N 2.99Å; V228-W230 PolarHBondContact O-N 2.9Å; V228-A231 PolarHBondContact O-N 3.3Å; V228-F232 PolarHBondContact O-N 2.89Å; V228-F232 VanDerWaalsContact O-N 3.11Å
229L98.2Very high96.7Very high83 Ų8354 Ų5444%0.43529%0.29SS..Hα-helixtrans-61.3-43.3177.3178.960.7000111.5I225 L226 A231 F232 L233I225-L229 WeakPolarHBondContact O-CB 3.35Å; I225-L229 PolarHBondContact O-N 3.01Å; L226-L229 PolarHBondContact O-N 3.13Å; L229-A231 PolarHBondContact O-N 3.22Å; L229-F232 PolarHBondContact O-N 3.47Å; L229-L233 HydrophobicContact CD1-CD1 3.99Å; L229-L233 HydrophobicContact CD1-CG 4.03Å; L229-L233 HydrophobicContact CD2-CD1 4.49Å; L229-L233 HydrophobicContact CG-CD1 3.82Å; L229-L233 HydrophobicContact CG-CG 4.29Å; L229-L233 WeakPolarHBondContact O-CB 3.49Å; L229-L233 VanDerWaalsContact O-CG 3.24Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 2.72Å
230W98.4Very high96.7Very high46 Ų4653.8 Ų53.817%0.17429%0.289CS..Hα-helixtrans-56.1-47.517416878.2000111.7T128 W134 A206 V209 S210 L226 L227 V228 F232 L233 V234T128-W230 PolarHBondContact OG1-NE1 2.96Å; W134-W230 AromaticContact CE2-CH2 3.92Å; W134-W230 AromaticContact CZ2-CH2 3.61Å; W134-W230 HydrophobicContact CZ2-CH2 3.61Å; W134-W230 AromaticContact CZ2-CZ2 3.83Å; W134-W230 HydrophobicContact CZ2-CZ2 3.83Å; W134-W230 HydrophobicContact CZ2-CZ3 4.43Å; W134-W230 AromaticContact NE1-CH2 3.84Å; W134-W230 AromaticContact NE1-CZ2 3.85Å; A206-W230 HydrophobicContact CB-CE3 4.46Å; A206-W230 HydrophobicContact CB-CH2 3.91Å; A206-W230 HydrophobicContact CB-CZ3 3.88Å; V209-W230 HydrophobicContact CG1-CH2 4.47Å; V209-W230 HydrophobicContact CG1-CZ3 4.5Å; S210-W230 VanDerWaalsContact OG-CE3 3.27Å; S210-W230 WeakPolarHBondContact OG-CZ3 3.38Å; L226-W230 VanDerWaalsContact O-CB 3.25Å; L226-W230 WeakPolarHBondContact O-CB 3.33Å; L226-W230 PolarHBondContact O-N 3.38Å; L227-W230 HydrophobicContact CD1-CE3 3.94Å; L227-W230 HydrophobicContact CD1-CZ3 4.34Å; V228-W230 PolarHBondContact O-N 2.9Å; W230-F232 PolarHBondContact O-N 3.48Å; W230-L233 PolarHBondContact O-N 2.79Å; W230-V234 HydrophobicContact CD2-CG2 4.26Å; W230-V234 HydrophobicContact CG-CG2 4.37Å; W230-V234 HydrophobicContact CZ2-CG2 4.11Å; W230-V234 WeakPolarHBondContact O-CB 3.25Å; W230-V234 WeakPolarHBondContact O-CG2 3.23Å; W230-V234 PolarHBondContact O-N 2.81Å
231A98.2Very high96.5Very high7 Ų751 Ų516%0.05827%0.266CS..Hα-helixtrans-62.4-43.4179.400000112.7A206 L227 V228 L229 V234 G235 F253A206-A231 HydrophobicContact CB-CB 3.89Å; A206-A231 WeakPolarHBondContact O-CB 3.2Å; L227-A231 PolarHBondContact O-N 3.33Å; V228-A231 PolarHBondContact O-N 3.3Å; L229-A231 PolarHBondContact O-N 3.22Å; A231-V234 PolarHBondContact O-N 2.82Å; A231-G235 PolarHBondContact O-N 3.23Å; A231-F253 WeakPolarHBondContact O-CE1 3.32Å
232F98.3Very high96.3Very high102 Ų10246.1 Ų46.145%0.44724%0.236SC..Hα-helixtrans-61-47.2174.6-179.8-101.4000111.9V228 L229 W230 V234 G235 M236 F253V228-F232 PolarHBondContact O-N 2.89Å; V228-F232 VanDerWaalsContact O-N 3.11Å; L229-F232 PolarHBondContact O-N 3.47Å; W230-F232 PolarHBondContact O-N 3.48Å; F232-V234 PolarHBondContact O-N 3.47Å; F232-G235 PolarHBondContact O-N 3.24Å; F232-M236 HydrophobicContact CE1-CE 4.44Å; F232-M236 HydrophobicContact CE2-CE 4.34Å; F232-M236 HydrophobicContact CZ-CE 3.8Å; F232-M236 VanDerWaalsContact O-CB 3.31Å; F232-M236 WeakPolarHBondContact O-CB 3.48Å; F232-M236 PolarHBondContact O-N 2.9Å; F232-F253 HydrophobicContact CD2-CE2 4.32Å; F232-F253 HydrophobicContact CD2-CZ 4.46Å
233L98.1Very high96Very high74 Ų7444.4 Ų44.439%0.38722%0.219SC..Hα-helixtrans-64-38.3179.1-72.7176.1000112.4L125 L229 W230 M236 S237L125-L233 HydrophobicContact CD1-CB 4.26Å; L125-L233 HydrophobicContact CD2-CB 4.06Å; L229-L233 HydrophobicContact CD1-CD1 3.99Å; L229-L233 HydrophobicContact CD1-CG 4.03Å; L229-L233 HydrophobicContact CD2-CD1 4.49Å; L229-L233 HydrophobicContact CG-CD1 3.82Å; L229-L233 HydrophobicContact CG-CG 4.29Å; L229-L233 WeakPolarHBondContact O-CB 3.49Å; L229-L233 VanDerWaalsContact O-CG 3.24Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 2.72Å; W230-L233 PolarHBondContact O-N 2.79Å; L233-M236 PolarHBondContact O-N 3.37Å; L233-S237 WeakPolarHBondContact O-CB 3.49Å; L233-S237 PolarHBondContact O-N 3.33Å
234V98Very high95.9Very high0 Ų040.1 Ų40.10%020%0.196CC..Hα-helixtrans-64.3-46.2174.51650000111.4L125 H202 A206 W230 A231 F232 S237L125-V234 HydrophobicContact CD1-CG2 3.95Å; H202-V234 HydrophobicContact CB-CG1 4.14Å; A206-V234 HydrophobicContact CB-CB 4.02Å; A206-V234 HydrophobicContact CB-CG1 3.77Å; W230-V234 HydrophobicContact CD2-CG2 4.26Å; W230-V234 HydrophobicContact CG-CG2 4.37Å; W230-V234 HydrophobicContact CZ2-CG2 4.11Å; W230-V234 WeakPolarHBondContact O-CB 3.25Å; W230-V234 WeakPolarHBondContact O-CG2 3.23Å; W230-V234 PolarHBondContact O-N 2.81Å; A231-V234 PolarHBondContact O-N 2.82Å; F232-V234 PolarHBondContact O-N 3.47Å; V234-S237 WeakPolarHBondContact O-CB 3.38Å; V234-S237 PolarHBondContact O-N 3.39Å; V234-S237 PolarHBondContact O-OG 3.34Å
235G96.8Very high95.9Very high1 Ų136.5 Ų36.51%0.0118%0.183CC..Hα-helixtrans-60.9-48.1174.400000112A231 F232 S237 R238 M249A231-G235 PolarHBondContact O-N 3.23Å; F232-G235 PolarHBondContact O-N 3.24Å; G235-S237 VanDerWaalsContact C-N 3.3Å; G235-S237 PolarHBondContact O-N 2.8Å; G235-R238 PolarHBondContact O-N 2.63Å; G235-M249 VanDerWaalsContact C-SD 3.57Å
236M96.8Very high95.8Very high33 Ų3333 Ų3316%0.16317%0.165CC..Hα-helixtrans-62-35178.9-173.855.964.200112.5F232 L233 R238 V239 L240 L246 M249F232-M236 HydrophobicContact CE1-CE 4.44Å; F232-M236 HydrophobicContact CE2-CE 4.34Å; F232-M236 HydrophobicContact CZ-CE 3.8Å; F232-M236 VanDerWaalsContact O-CB 3.31Å; F232-M236 WeakPolarHBondContact O-CB 3.48Å; F232-M236 PolarHBondContact O-N 2.9Å; L233-M236 PolarHBondContact O-N 3.37Å; M236-R238 PolarHBondContact O-N 3.09Å; M236-R238 VanDerWaalsContact O-N 3.14Å; M236-V239 WeakPolarHBondContact O-CB 3.44Å; M236-V239 PolarHBondContact O-N 3.31Å; M236-V239 HydrophobicContact SD-CB 4.23Å; M236-L240 HydrophobicContact CG-CD1 4.13Å; M236-L240 HydrophobicContact CG-CG 4.09Å; M236-L240 WeakPolarHBondContact O-CG 3.43Å; M236-L240 PolarHBondContact O-N 3.43Å; M236-L240 HydrophobicContact SD-CG 4.41Å; M236-L246 HydrophobicContact CE-CD2 4.26Å; M236-M249 HydrophobicContact CB-SD 4.4Å; M236-M249 HydrophobicContact CE-CE 3.92Å; M236-M249 HydrophobicContact CE-SD 4.01Å
237S96.4Very high95.7Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-53.7-37.217977.10000112.7A126 L233 V234 G235 L240 L241A126-S237 WeakPolarHBondContact CB-OG 3.35Å; L233-S237 WeakPolarHBondContact O-CB 3.49Å; L233-S237 PolarHBondContact O-N 3.33Å; V234-S237 WeakPolarHBondContact O-CB 3.38Å; V234-S237 PolarHBondContact O-N 3.39Å; V234-S237 PolarHBondContact O-OG 3.34Å; G235-S237 VanDerWaalsContact C-N 3.3Å; G235-S237 PolarHBondContact O-N 2.8Å; S237-L240 PolarHBondContact O-N 2.94Å; S237-L241 WeakPolarHBondContact O-CB 3.11Å; S237-L241 WeakPolarHBondContact O-CD1 3.4Å; S237-L241 WeakPolarHBondContact O-CG 3.19Å; S237-L241 PolarHBondContact O-N 3.35Å
238R94.4Very high95.6Very high8 Ų829.7 Ų29.73%0.0315%0.15CC..Hα-helixtrans-76.5-25.2-179-63-65.7-76.4-169.9-5.3113D189 D194 H202 G235 M236 G242 R243 H244D189-R238 IonicContact OD1-CZ 3.42Å; D189-R238 VanDerWaalsContact OD1-CZ 3.28Å; D189-R238 IonicContact OD1-NH1 3.09Å; D189-R238 PolarHBondContact OD1-NH1 3.07Å; D189-R238 IonicContact OD1-NH2 3.34Å; D189-R238 PolarHBondContact OD1-NH2 3.24Å; D194-R238 IonicContact OD2-CZ 2.65Å; D194-R238 IonicContact OD2-NE 3.28Å; D194-R238 IonicContact OD2-NH2 2.68Å; D194-R238 PolarHBondContact OD2-NH2 3.24Å; H202-R238 HydrophobicContact CB-CG 3.74Å; H202-R238 PolarHBondContact ND1-NE 2.79Å; G235-R238 PolarHBondContact O-N 2.63Å; M236-R238 PolarHBondContact O-N 3.09Å; M236-R238 VanDerWaalsContact O-N 3.14Å; R238-G242 PolarHBondContact O-N 2.93Å; R238-R243 VanDerWaalsContact NH2-CD 3.34Å; R238-R243 PolarHBondContact O-N 3.03Å; R238-H244 PolarHBondContact NE-NE2 3.18Å; R238-H244 PolarHBondContact O-N 3.44Å
239V95Very high95.6Very high0 Ų026.5 Ų26.50%013%0.13CC..Hα-helixtrans-76.9-44.1170.4-174.70000110.2L105 M236 L241 G242 L246 M249L105-V239 HydrophobicContact CB-CG1 4.02Å; L105-V239 HydrophobicContact CD1-CG1 4.26Å; M236-V239 WeakPolarHBondContact O-CB 3.44Å; M236-V239 PolarHBondContact O-N 3.31Å; M236-V239 HydrophobicContact SD-CB 4.23Å; V239-L241 VanDerWaalsContact C-N 3.3Å; V239-L241 PolarHBondContact O-N 3.12Å; V239-G242 WeakPolarHBondContact O-CA 3.49Å; V239-G242 PolarHBondContact O-N 2.96Å; V239-L246 HydrophobicContact CG1-CD2 4.08Å; V239-L246 HydrophobicContact CG1-CG 4.28Å; V239-L246 HydrophobicContact CG2-CD2 4.33Å; V239-M249 HydrophobicContact CG2-CB 4.08Å; V239-M249 HydrophobicContact CG2-CG 4.44Å; V239-M249 HydrophobicContact CG2-SD 3.92Å
240L93.8Very high95.6Very high31 Ų3125.1 Ų25.116%0.16213%0.13CC..Hα-helixtrans-60.5-37.6175.2-65.5175.9000112.6L105 G106 V107 C108 I122 M236 S237 G242L105-L240 WeakPolarHBondContact O-CA 3.46Å; L105-L240 WeakPolarHBondContact O-CD2 3.45Å; G106-L240 CarbonylContact C-O 3.32Å; G106-L240 VanDerWaalsContact C-O 3.32Å; G106-L240 WeakPolarHBondContact CA-O 3.41Å; V107-L240 HydrophobicContact CG2-CD2 4.2Å; C108-L240 CarbonylContact C-O 3.59Å; C108-L240 WeakPolarHBondContact CA-O 3.48Å; C108-L240 WeakPolarHBondContact CB-O 3.49Å; C108-L240 PolarHBondContact N-O 3.22Å; I122-L240 HydrophobicContact CD1-CD1 4.21Å; I122-L240 HydrophobicContact CG2-CB 4.18Å; I122-L240 HydrophobicContact CG2-CD1 4.42Å; M236-L240 HydrophobicContact CG-CD1 4.13Å; M236-L240 HydrophobicContact CG-CG 4.09Å; M236-L240 WeakPolarHBondContact O-CG 3.43Å; M236-L240 PolarHBondContact O-N 3.43Å; M236-L240 HydrophobicContact SD-CG 4.41Å; S237-L240 PolarHBondContact O-N 2.94Å; L240-G242 PolarHBondContact O-N 3.31Å
241L92.1Very high95.5Very high0 Ų025.5 Ų25.50%014%0.14CC..THydrogen-bonded Turntrans-76.20.1172.2-69.3168000113.6C108 R119 I122 A126 M183 S237 V239 R243C108-L241 HydrophobicContact CB-CD2 4.21Å; R119-L241 HydrophobicContact CG-CD2 3.77Å; I122-L241 HydrophobicContact CB-CD2 4.49Å; I122-L241 HydrophobicContact CG2-CD1 4.05Å; I122-L241 HydrophobicContact CG2-CD2 4.26Å; I122-L241 HydrophobicContact CG2-CG 3.78Å; A126-L241 HydrophobicContact CB-CD1 4.2Å; M183-L241 WeakPolarHBondContact CE-O 3.2Å; S237-L241 WeakPolarHBondContact O-CB 3.11Å; S237-L241 WeakPolarHBondContact O-CD1 3.4Å; S237-L241 WeakPolarHBondContact O-CG 3.19Å; S237-L241 PolarHBondContact O-N 3.35Å; V239-L241 VanDerWaalsContact C-N 3.3Å; V239-L241 PolarHBondContact O-N 3.12Å; L241-R243 VanDerWaalsContact C-N 3.33Å; L241-R243 PolarHBondContact O-N 3.43Å
242G90.2Very high95.5Very high0 Ų025.2 Ų25.20%014%0.137CC..THydrogen-bonded Turntrans74.610.8173.900000116.2P180 W181 R238 V239 L240P180-G242 WeakPolarHBondContact CD-O 3.4Å; W181-G242 VanDerWaalsContact CD1-CA 3.48Å; W181-G242 PolarHBondContact N-O 3Å; R238-G242 PolarHBondContact O-N 2.93Å; V239-G242 WeakPolarHBondContact O-CA 3.49Å; V239-G242 PolarHBondContact O-N 2.96Å; L240-G242 PolarHBondContact O-N 3.31Å
243R90.2Very high95.5Very high51 Ų5122.2 Ų22.219%0.19212%0.124CC..SBendtrans-85.9-31.7-174.9-78-175.5173.991.3-19.5114.1G179 D189 R238 L241G179-R243 WeakPolarHBondContact CA-O 3.35Å; D189-R243 IonicContact OD1-CZ 3.87Å; D189-R243 IonicContact OD1-NE 2.79Å; D189-R243 IonicContact OD1-NH2 3.69Å; D189-R243 IonicContact OD2-CZ 3.6Å; D189-R243 IonicContact OD2-NE 2.81Å; D189-R243 PolarHBondContact OD2-NE 3.01Å; D189-R243 IonicContact OD2-NH2 3.24Å; D189-R243 PolarHBondContact OD2-NH2 3.41Å; R238-R243 VanDerWaalsContact NH2-CD 3.34Å; R238-R243 PolarHBondContact O-N 3.03Å; L241-R243 VanDerWaalsContact C-N 3.33Å; L241-R243 PolarHBondContact O-N 3.43Å
244H94.1Very high95.6Very high4 Ų421.6 Ų21.62%0.01913%0.13CC..SBendtrans-129.2151.2-176.3-55.4-110.7000111.5P180 D194 S197 A200 R238 D248P180-H244 VanDerWaalsContact CD-C 3.48Å; P180-H244 WeakPolarHBondContact CG-O 3.25Å; D194-H244 IonicContact OD1-CE1 3.8Å; D194-H244 PolarHBondContact OD1-CE1 2.78Å; D194-H244 IonicContact OD2-CE1 3.67Å; D194-H244 IonicContact OD2-NE2 3.91Å; S197-H244 PolarHBondContact O-ND1 3.11Å; A200-H244 HydrophobicContact CB-CB 4.25Å; R238-H244 PolarHBondContact NE-NE2 3.18Å; R238-H244 PolarHBondContact O-N 3.44Å; H244-D248 HydrophobicContact CB-CB 4.09Å
245H95Very high95.6Very high9 Ų923 Ų234%0.04214%0.137CC..  trans-80.1161.6173.7-55.5-99.6000110.6D98 S102 R177 K178 P180 T247 D248 M249D98-H245 WeakPolarHBondContact OD2-CB 3.33Å; S102-H245 WeakPolarHBondContact OG-CA 3.49Å; R177-H245 VanDerWaalsContact CZ-CD2 3.42Å; R177-H245 PolarHBondContact NE-CD2 2.93Å; R177-H245 PolarHBondContact NH2-CD2 3.29Å; R177-H245 PolarHBondContact NH2-ND1 2.63Å; K178-H245 PolarHBondContact O-NE2 2.98Å; P180-H245 HydrophobicContact CG-CB 4.42Å; H245-T247 VanDerWaalsContact C-N 3.29Å; H245-T247 PolarHBondContact O-N 3.38Å; H245-D248 IonicContact CD2-OD2 3.55Å; H245-D248 PolarHBondContact CD2-OD2 3.35Å; H245-D248 VanDerWaalsContact CD2-OD2 3.24Å; H245-D248 IonicContact CG-OD2 3.86Å; H245-D248 PolarHBondContact N-OD2 2.89Å; H245-D248 WeakPolarHBondContact O-CB 3.42Å; H245-D248 PolarHBondContact O-N 2.9Å; H245-D248 VanDerWaalsContact O-N 3.12Å; H245-M249 PolarHBondContact O-N 3.48Å; H245-M249 VanDerWaalsContact O-N 3.11Å
246L95.4Very high95.7Very high36 Ų3623 Ų2319%0.18814%0.137CC..Hα-helixtrans-62.9-36.9177.6-78.8173.8000112.1D98 L101 S102 L105 M236 V239 D248 M249 A250D98-L246 PolarHBondContact OD1-N 3.47Å; L101-L246 HydrophobicContact CB-CD1 4.21Å; L101-L246 HydrophobicContact CD2-CD1 3.43Å; L101-L246 VanDerWaalsContact CD2-CD1 3.43Å; L101-L246 HydrophobicContact CG-CD1 3.57Å; S102-L246 PolarHBondContact OG-N 3.34Å; L105-L246 HydrophobicContact CD1-CD1 3.74Å; L105-L246 HydrophobicContact CD1-CD2 3.91Å; L105-L246 HydrophobicContact CD1-CG 4.04Å; M236-L246 HydrophobicContact CE-CD2 4.26Å; V239-L246 HydrophobicContact CG1-CD2 4.08Å; V239-L246 HydrophobicContact CG1-CG 4.28Å; V239-L246 HydrophobicContact CG2-CD2 4.33Å; L246-D248 VanDerWaalsContact C-N 3.33Å; L246-M249 HydrophobicContact CD2-CE 3.74Å; L246-M249 WeakPolarHBondContact O-CB 3.24Å; L246-M249 PolarHBondContact O-N 2.82Å; L246-A250 PolarHBondContact O-N 3.26Å
247T95.3Very high95.7Very high56 Ų5625.7 Ų25.734%0.34415%0.151SC..Hα-helixtrans-61.7-39.5172.1530000112.3D98 R177 H245 M249 A250 C251D98-T247 HydrophobicContact CB-CG2 4Å; D98-T247 VanDerWaalsContact CG-CG2 3.44Å; D98-T247 VanDerWaalsContact CG-OG1 3.28Å; D98-T247 PolarHBondContact OD1-N 3.04Å; D98-T247 PolarHBondContact OD1-OG1 2.89Å; D98-T247 WeakPolarHBondContact OD2-CG2 3.49Å; D98-T247 PolarHBondContact OD2-OG1 2.96Å; R177-T247 PolarHBondContact NH1-OG1 3.12Å; H245-T247 VanDerWaalsContact C-N 3.29Å; H245-T247 PolarHBondContact O-N 3.38Å; T247-M249 VanDerWaalsContact C-N 3.31Å; T247-M249 PolarHBondContact O-N 2.89Å; T247-A250 PolarHBondContact O-N 2.67Å; T247-C251 WeakPolarHBondContact O-CB 3.05Å; T247-C251 PolarHBondContact O-N 2.87Å; T247-C251 PolarHBondContact O-SG 2.65Å; T247-C251 VanDerWaalsContact O-SG 3.41Å
248D96.1Very high95.8Very high0 Ų031 Ų310%018%0.179CC..Hα-helixtrans-62.7-39.2176.1-57.7-23.3000111.8R177 S197 F198 A200 H244 H245 L246 G252R177-D248 VanDerWaalsContact CD-OD1 3.28Å; R177-D248 WeakPolarHBondContact CD-OD1 3.48Å; R177-D248 IonicContact CZ-OD1 2.8Å; R177-D248 IonicContact NE-OD1 3.7Å; R177-D248 IonicContact NH1-OD1 3.78Å; R177-D248 PolarHBondContact NH1-OD1 3.27Å; S197-D248 WeakPolarHBondContact CB-OD2 3.35Å; S197-D248 VanDerWaalsContact O-CB 3.28Å; S197-D248 WeakPolarHBondContact O-CB 3.28Å; S197-D248 VanDerWaalsContact O-CG 3.32Å; S197-D248 PolarHBondContact OG-OD2 3.47Å; F198-D248 WeakPolarHBondContact CB-OD1 3.27Å; F198-D248 WeakPolarHBondContact CD2-OD1 3.31Å; A200-D248 HydrophobicContact CB-CB 4.24Å; A200-D248 WeakPolarHBondContact CB-O 3.34Å; A200-D248 PolarHBondContact N-O 3.04Å; A200-D248 VanDerWaalsContact N-O 3.07Å; H244-D248 HydrophobicContact CB-CB 4.09Å; H245-D248 IonicContact CD2-OD2 3.55Å; H245-D248 PolarHBondContact CD2-OD2 3.35Å; H245-D248 VanDerWaalsContact CD2-OD2 3.24Å; H245-D248 IonicContact CG-OD2 3.86Å; H245-D248 PolarHBondContact N-OD2 2.89Å; H245-D248 WeakPolarHBondContact O-CB 3.42Å; H245-D248 PolarHBondContact O-N 2.9Å; H245-D248 VanDerWaalsContact O-N 3.12Å; L246-D248 VanDerWaalsContact C-N 3.33Å; D248-G252 PolarHBondContact O-N 2.9Å
249M97Very high96Very high15 Ų1530.9 Ų30.97%0.07418%0.179CC..Hα-helixtrans-65.8-46.4176.5-177-169.169.900111.2A203 G235 M236 V239 H245 L246 T247 G252 F253A203-M249 HydrophobicContact CB-CG 4.18Å; G235-M249 VanDerWaalsContact C-SD 3.57Å; M236-M249 HydrophobicContact CB-SD 4.4Å; M236-M249 HydrophobicContact CE-CE 3.92Å; M236-M249 HydrophobicContact CE-SD 4.01Å; V239-M249 HydrophobicContact CG2-CB 4.08Å; V239-M249 HydrophobicContact CG2-CG 4.44Å; V239-M249 HydrophobicContact CG2-SD 3.92Å; H245-M249 PolarHBondContact O-N 3.48Å; H245-M249 VanDerWaalsContact O-N 3.11Å; L246-M249 HydrophobicContact CD2-CE 3.74Å; L246-M249 WeakPolarHBondContact O-CB 3.24Å; L246-M249 PolarHBondContact O-N 2.82Å; T247-M249 VanDerWaalsContact C-N 3.31Å; T247-M249 PolarHBondContact O-N 2.89Å; M249-G252 PolarHBondContact O-N 3.36Å; M249-F253 HydrophobicContact CE-CE2 4.1Å; M249-F253 HydrophobicContact CG-CD2 4.14Å; M249-F253 HydrophobicContact CG-CE2 3.57Å; M249-F253 HydrophobicContact CG-CZ 3.97Å; M249-F253 WeakPolarHBondContact O-CD2 3.32Å; M249-F253 PolarHBondContact O-N 3.3Å; M249-F253 HydrophobicContact SD-CE2 3.93Å; M249-F253 HydrophobicContact SD-CZ 4.3Å
250A97.5Very high96.2Very high54 Ų5431 Ų3145%0.44618%0.179SC..Hα-helixtrans-64.7-45.5178.500000112.2L246 T247 G252 F253 A254L246-A250 PolarHBondContact O-N 3.26Å; T247-A250 PolarHBondContact O-N 2.67Å; A250-G252 VanDerWaalsContact C-N 3.3Å; A250-G252 PolarHBondContact O-N 3.35Å; A250-F253 PolarHBondContact O-N 3.29Å; A250-A254 PolarHBondContact O-N 3.28Å
251C97.6Very high96.4Very high55 Ų5532 Ų3237%0.37219%0.189SC..Hα-helixtrans-65.2-33.7173.7-69.10000112.1F198 T247 A254 L255F198-C251 HydrophobicContact CE2-CB 3.61Å; F198-C251 HydrophobicContact CZ-CB 4.01Å; T247-C251 WeakPolarHBondContact O-CB 3.05Å; T247-C251 PolarHBondContact O-N 2.87Å; T247-C251 PolarHBondContact O-SG 2.65Å; T247-C251 VanDerWaalsContact O-SG 3.41Å; C251-A254 PolarHBondContact O-N 3.4Å; C251-L255 VanDerWaalsContact O-CB 3.31Å; C251-L255 WeakPolarHBondContact O-CB 3.19Å; C251-L255 PolarHBondContact O-N 3.37Å
252G98Very high96.6Very high0 Ų035.9 Ų35.90%021%0.209CC..Hα-helixtrans-59.1-53.8170.100000112S204 D248 M249 A250 A254 L255 G256S204-G252 WeakPolarHBondContact CA-O 3.38Å; S204-G252 WeakPolarHBondContact CB-O 3.39Å; D248-G252 PolarHBondContact O-N 2.9Å; M249-G252 PolarHBondContact O-N 3.36Å; A250-G252 VanDerWaalsContact C-N 3.3Å; A250-G252 PolarHBondContact O-N 3.35Å; G252-A254 VanDerWaalsContact C-N 3.32Å; G252-A254 PolarHBondContact O-N 2.72Å; G252-L255 PolarHBondContact O-N 2.98Å; G252-G256 PolarHBondContact O-N 2.9Å
253F98.6Very high96.9Very high39 Ų3935.9 Ų35.917%0.17121%0.21CC..Hα-helixtrans-58-42.2177-67.2-43.6000112.8A203 A207 A231 F232 M249 A250 G256 L257A203-F253 HydrophobicContact CB-CD1 3.67Å; A203-F253 HydrophobicContact CB-CE1 3.64Å; A203-F253 HydrophobicContact CB-CG 4.2Å; A203-F253 HydrophobicContact CB-CZ 4.17Å; A203-F253 VanDerWaalsContact O-CD1 3.31Å; A203-F253 WeakPolarHBondContact O-CD1 3.44Å; A207-F253 HydrophobicContact CB-CB 4.38Å; A207-F253 HydrophobicContact CB-CD1 3.91Å; A231-F253 WeakPolarHBondContact O-CE1 3.32Å; F232-F253 HydrophobicContact CD2-CE2 4.32Å; F232-F253 HydrophobicContact CD2-CZ 4.46Å; M249-F253 HydrophobicContact CE-CE2 4.1Å; M249-F253 HydrophobicContact CG-CD2 4.14Å; M249-F253 HydrophobicContact CG-CE2 3.57Å; M249-F253 HydrophobicContact CG-CZ 3.97Å; M249-F253 WeakPolarHBondContact O-CD2 3.32Å; M249-F253 PolarHBondContact O-N 3.3Å; M249-F253 HydrophobicContact SD-CE2 3.93Å; M249-F253 HydrophobicContact SD-CZ 4.3Å; A250-F253 PolarHBondContact O-N 3.29Å; F253-G256 PolarHBondContact O-N 3.31Å; F253-L257 WeakPolarHBondContact O-CG 3.48Å; F253-L257 PolarHBondContact O-N 3.32Å; F253-L257 VanDerWaalsContact O-N 3.1Å
254A98.4Very high97.2Very high62 Ų6238 Ų3851%0.51222%0.221SC..Hα-helixtrans-63-42.4176.800000112.5A250 C251 G252 L257 L258A250-A254 PolarHBondContact O-N 3.28Å; C251-A254 PolarHBondContact O-N 3.4Å; G252-A254 VanDerWaalsContact C-N 3.32Å; G252-A254 PolarHBondContact O-N 2.72Å; A254-L257 PolarHBondContact O-N 2.96Å; A254-L258 PolarHBondContact O-N 3.29Å
255L98.4Very high97.3Very high30 Ų3043 Ų4316%0.15725%0.253CS..Hα-helixtrans-65.8-38.6175.9-178.761.2000112T167 V168 P199 C251 G252 L257 L258 H259T167-L255 HydrophobicContact CG2-CD1 4.46Å; V168-L255 HydrophobicContact CG2-CD2 3.87Å; P199-L255 HydrophobicContact CB-CD2 4.26Å; P199-L255 HydrophobicContact CG-CD2 3.66Å; C251-L255 VanDerWaalsContact O-CB 3.31Å; C251-L255 WeakPolarHBondContact O-CB 3.19Å; C251-L255 PolarHBondContact O-N 3.37Å; G252-L255 PolarHBondContact O-N 2.98Å; L255-L257 PolarHBondContact O-N 3.47Å; L255-L258 HydrophobicContact CD1-CD2 4.33Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 PolarHBondContact O-N 3.38Å; L255-H259 WeakPolarHBondContact CD1-NE2 3.5Å; L255-H259 VanDerWaalsContact CG-CE1 3.44Å; L255-H259 WeakPolarHBondContact CG-CE1 3.16Å; L255-H259 PolarHBondContact O-N 3.48Å
256G98.4Very high97.3Very high0 Ų046.4 Ų46.40%027%0.274CS..Hα-helixtrans-62.3-40.1175.200000113.4S204 M208 G252 F253 H259 F260S204-G256 VanDerWaalsContact O-CA 3.24Å; S204-G256 WeakPolarHBondContact O-CA 3.33Å; S204-G256 PolarHBondContact OG-N 2.88Å; M208-G256 WeakPolarHBondContact CA-O 3.45Å; M208-G256 VanDerWaalsContact CB-O 3.27Å; M208-G256 WeakPolarHBondContact CB-O 3.19Å; G252-G256 PolarHBondContact O-N 2.9Å; F253-G256 PolarHBondContact O-N 3.31Å; G256-H259 PolarHBondContact O-N 2.68Å; G256-F260 PolarHBondContact O-N 3.15Å
257L98.5Very high97.4Very high90 Ų9047.9 Ų47.947%0.47128%0.277SS..Hα-helixtrans-66.7-37.7173-66.6174.5000111.9K211 F253 A254 L255 F260 S261K211-L257 HydrophobicContact CB-CD2 4.03Å; K211-L257 HydrophobicContact CG-CD2 4.2Å; F253-L257 WeakPolarHBondContact O-CG 3.48Å; F253-L257 PolarHBondContact O-N 3.32Å; F253-L257 VanDerWaalsContact O-N 3.1Å; A254-L257 PolarHBondContact O-N 2.96Å; L255-L257 PolarHBondContact O-N 3.47Å; L257-F260 PolarHBondContact O-N 3.4Å; L257-S261 PolarHBondContact O-N 2.95Å
258L98.4Very high97.4Very high111 Ų11147.4 Ų47.458%0.58127%0.272SS*.Hα-helixtrans-64.5-41.2173.5-179.662.7000112.2A254 L255 S261 L262A254-L258 PolarHBondContact O-N 3.29Å; L255-L258 HydrophobicContact CD1-CD2 4.33Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 PolarHBondContact O-N 3.38Å; L258-S261 PolarHBondContact O-N 3.48Å; L258-L262 WeakPolarHBondContact O-CB 3.5Å; L258-L262 PolarHBondContact O-N 2.95Å
259H98.3Very high97.3Very high5 Ų550.2 Ų50.22%0.02329%0.292CS..Hα-helixtrans-61.6-42.2174.3-67.8155.4000111.9L163 D164 T167 M208 L255 G256 L262 V263L163-H259 HydrophobicContact CD2-CB 4.33Å; D164-H259 IonicContact OD1-CE1 3.44Å; D164-H259 PolarHBondContact OD1-CE1 3.37Å; D164-H259 IonicContact OD1-ND1 2.92Å; D164-H259 PolarHBondContact OD1-ND1 2.86Å; T167-H259 WeakPolarHBondContact CB-NE2 3.41Å; T167-H259 WeakPolarHBondContact CG2-NE2 3.37Å; M208-H259 HydrophobicContact CG-CB 3.97Å; L255-H259 WeakPolarHBondContact CD1-NE2 3.5Å; L255-H259 VanDerWaalsContact CG-CE1 3.44Å; L255-H259 WeakPolarHBondContact CG-CE1 3.16Å; L255-H259 PolarHBondContact O-N 3.48Å; G256-H259 PolarHBondContact O-N 2.68Å; H259-L262 PolarHBondContact O-N 3.47Å; H259-V263 WeakPolarHBondContact O-CG2 3.19Å; H259-V263 PolarHBondContact O-N 2.99Å; H259-V263 VanDerWaalsContact O-N 3.07Å
260F98.2Very high97.1Very high2 Ų251.1 Ų51.11%0.00930%0.299CS..Hα-helixtrans-58.3-52.8173.2167.3-93.4000111.3M208 K211 F212 S215 H216 G256 L257 L262 V263 E264M208-F260 HydrophobicContact CG-CB 4.48Å; K211-F260 HydrophobicContact CB-CB 4.34Å; K211-F260 HydrophobicContact CB-CD1 4.42Å; K211-F260 HydrophobicContact CB-CD2 4.31Å; K211-F260 HydrophobicContact CB-CG 4.05Å; K211-F260 HydrophobicContact CD-CD1 4.2Å; K211-F260 HydrophobicContact CD-CE1 4.15Å; K211-F260 VanDerWaalsContact CE-CE1 3.45Å; K211-F260 HydrophobicContact CG-CB 4.06Å; K211-F260 HydrophobicContact CG-CD1 3.3Å; K211-F260 HydrophobicContact CG-CD2 3.8Å; K211-F260 HydrophobicContact CG-CE1 3.67Å; K211-F260 HydrophobicContact CG-CE2 4.12Å; K211-F260 HydrophobicContact CG-CG 3.38Å; K211-F260 HydrophobicContact CG-CZ 4.07Å; F212-F260 HydrophobicContact CB-CD2 4Å; F212-F260 HydrophobicContact CB-CE2 4.38Å; F212-F260 HydrophobicContact CD2-CD2 4.28Å; F212-F260 HydrophobicContact CD2-CE2 4.48Å; S215-F260 WeakPolarHBondContact OG-CZ 3.43Å; H216-F260 AromaticContact NE2-CE2 3.65Å; G256-F260 PolarHBondContact O-N 3.15Å; L257-F260 PolarHBondContact O-N 3.4Å; F260-L262 VanDerWaalsContact C-N 3.29Å; F260-L262 PolarHBondContact O-N 2.91Å; F260-V263 PolarHBondContact O-N 3.14Å; F260-V263 VanDerWaalsContact O-N 3.15Å; F260-E264 HydrophobicContact CE1-CB 4.31Å; F260-E264 VanDerWaalsContact CE1-CD 3.45Å; F260-E264 HydrophobicContact CE1-CG 4.44Å; F260-E264 WeakPolarHBondContact CE1-OE2 3.45Å; F260-E264 HydrophobicContact CZ-CB 4.27Å; F260-E264 HydrophobicContact CZ-CG 4.27Å; F260-E264 VanDerWaalsContact CZ-OE1 3.27Å; F260-E264 WeakPolarHBondContact CZ-OE1 3.36Å; F260-E264 WeakPolarHBondContact O-CB 3.46Å; F260-E264 PolarHBondContact O-N 2.83Å
261S97.9Very high96.9Very high54 Ų5452.5 Ų52.538%0.37831%0.306SS..Hα-helixtrans-66.4-29-177.9-71.70000113.4L257 L258 T265L257-S261 PolarHBondContact O-N 2.95Å; L258-S261 PolarHBondContact O-N 3.48Å; S261-T265 WeakPolarHBondContact O-CG2 3.28Å; S261-T265 PolarHBondContact O-N 2.97Å; S261-T265 VanDerWaalsContact O-N 3.12Å; S261-T265 PolarHBondContact O-OG1 2.84Å
262L97.4Very high96.7Very high80 Ų8051.5 Ų51.542%0.41930%0.301SS..Hα-helixtrans-67.9-42.3171.9-178.355.2000111.5L163 L258 H259 F260 E264 T265 V266L163-L262 HydrophobicContact CD1-CD2 4.35Å; L163-L262 HydrophobicContact CD2-CB 4.48Å; L163-L262 HydrophobicContact CD2-CD2 4.06Å; L163-L262 HydrophobicContact CD2-CG 4.36Å; L258-L262 WeakPolarHBondContact O-CB 3.5Å; L258-L262 PolarHBondContact O-N 2.95Å; H259-L262 PolarHBondContact O-N 3.47Å; F260-L262 VanDerWaalsContact C-N 3.29Å; F260-L262 PolarHBondContact O-N 2.91Å; L262-E264 VanDerWaalsContact C-N 3.34Å; L262-T265 PolarHBondContact O-N 2.91Å; L262-T265 PolarHBondContact O-OG1 2.87Å; L262-V266 HydrophobicContact CD1-CG1 4.45Å; L262-V266 WeakPolarHBondContact O-CG2 3.36Å; L262-V266 PolarHBondContact O-N 3.25Å; L262-V266 VanDerWaalsContact O-N 3.11Å
263V97.1Very high96.5Very high1 Ų151.5 Ų51.51%0.00630%0.301CS..Hα-helixtrans-68-35.4175.9173.50000111.7N156 A160 L163 F212 H259 F260 T265 V266 W267N156-V263 HydrophobicContact CB-CG1 4.43Å; A160-V263 HydrophobicContact CB-CB 4.4Å; A160-V263 HydrophobicContact CB-CG1 4.29Å; A160-V263 HydrophobicContact CB-CG2 3.76Å; L163-V263 HydrophobicContact CD2-CG2 3.78Å; F212-V263 HydrophobicContact CE2-CG1 4.36Å; H259-V263 WeakPolarHBondContact O-CG2 3.19Å; H259-V263 PolarHBondContact O-N 2.99Å; H259-V263 VanDerWaalsContact O-N 3.07Å; F260-V263 PolarHBondContact O-N 3.14Å; F260-V263 VanDerWaalsContact O-N 3.15Å; V263-T265 VanDerWaalsContact C-N 3.3Å; V263-T265 PolarHBondContact O-N 3.42Å; V263-V266 CarbonylContact O-C 3.56Å; V263-V266 PolarHBondContact O-N 3.34Å; V263-W267 HydrophobicContact CG1-CE3 4.33Å; V263-W267 WeakPolarHBondContact O-CA 3.48Å; V263-W267 PolarHBondContact O-N 3.22Å
264E96.1Very high96.2Very high94 Ų9452.6 Ų52.644%0.43931%0.307SS..Hα-helixtrans-61.7-34.9172.9-169.1172.7-131.100111.9F260 L262F260-E264 HydrophobicContact CE1-CB 4.31Å; F260-E264 VanDerWaalsContact CE1-CD 3.45Å; F260-E264 HydrophobicContact CE1-CG 4.44Å; F260-E264 WeakPolarHBondContact CE1-OE2 3.45Å; F260-E264 HydrophobicContact CZ-CB 4.27Å; F260-E264 HydrophobicContact CZ-CG 4.27Å; F260-E264 VanDerWaalsContact CZ-OE1 3.27Å; F260-E264 WeakPolarHBondContact CZ-OE1 3.36Å; F260-E264 WeakPolarHBondContact O-CB 3.46Å; F260-E264 PolarHBondContact O-N 2.83Å; L262-E264 VanDerWaalsContact C-N 3.34Å
265T95.9Very high95.9Very high111 Ų11153.7 Ų53.768%0.68131%0.307SS*.Hα-helixtrans-82.7-19.8175.958.40000115S261 L262 V263S261-T265 WeakPolarHBondContact O-CG2 3.28Å; S261-T265 PolarHBondContact O-N 2.97Å; S261-T265 VanDerWaalsContact O-N 3.12Å; S261-T265 PolarHBondContact O-OG1 2.84Å; L262-T265 PolarHBondContact O-N 2.91Å; L262-T265 PolarHBondContact O-OG1 2.87Å; V263-T265 VanDerWaalsContact C-N 3.3Å; V263-T265 PolarHBondContact O-N 3.42Å
266V95.6Very high95.6Very high79 Ų7956.6 Ų56.648%0.47932%0.323SS..THydrogen-bonded Turntrans-112.124.9176.3-51.60000113.4L262 V263 L268L262-V266 HydrophobicContact CD1-CG1 4.45Å; L262-V266 WeakPolarHBondContact O-CG2 3.36Å; L262-V266 PolarHBondContact O-N 3.25Å; L262-V266 VanDerWaalsContact O-N 3.11Å; V263-V266 CarbonylContact O-C 3.56Å; V263-V266 PolarHBondContact O-N 3.34Å; V266-L268 PolarHBondContact O-N 3.2Å
267W96.6Very high95.2Very high67 Ų6758.4 Ų58.425%0.25433%0.332SS..PPolyproline II helixtrans-53.7122.9-171.3-171.5-90.8000113.1E152 V153 N156 F212 H216 V263 S269E152-W267 PolarHBondContact OE1-NE1 3.05Å; V153-W267 HydrophobicContact CG2-CZ2 4.35Å; N156-W267 HydrophobicContact CB-CD2 4.19Å; N156-W267 HydrophobicContact CB-CE3 3.88Å; N156-W267 HydrophobicContact CB-CH2 3.6Å; N156-W267 HydrophobicContact CB-CZ2 3.91Å; N156-W267 HydrophobicContact CB-CZ3 3.59Å; F212-W267 HydrophobicContact CD2-CZ3 4.44Å; F212-W267 AromaticContact CE2-CH2 3.89Å; F212-W267 HydrophobicContact CE2-CH2 3.89Å; F212-W267 AromaticContact CE2-CZ3 3.51Å; F212-W267 HydrophobicContact CE2-CZ3 3.51Å; F212-W267 AromaticContact CZ-CH2 3.62Å; F212-W267 HydrophobicContact CZ-CH2 3.62Å; F212-W267 AromaticContact CZ-CZ3 3.78Å; F212-W267 HydrophobicContact CZ-CZ3 3.78Å; H216-W267 AromaticContact CD2-CH2 3.76Å; H216-W267 AromaticContact CD2-CZ3 3.8Å; H216-W267 AromaticContact CE1-CE3 3.97Å; H216-W267 AromaticContact CE1-CH2 3.46Å; H216-W267 VanDerWaalsContact CE1-CH2 3.46Å; H216-W267 WeakPolarHBondContact CE1-CH2 3.11Å; H216-W267 AromaticContact CE1-CZ3 3.31Å; H216-W267 WeakPolarHBondContact CE1-CZ3 3.09Å; H216-W267 AromaticContact CG-CH2 3.71Å; H216-W267 AromaticContact ND1-CH2 3.51Å; H216-W267 AromaticContact ND1-CZ3 3.88Å; H216-W267 AromaticContact NE2-CH2 3.65Å; H216-W267 AromaticContact NE2-CZ3 3.28Å; H216-W267 VanDerWaalsContact NE2-CZ3 3.28Å; H216-W267 WeakPolarHBondContact NE2-CZ3 3.41Å; V263-W267 HydrophobicContact CG1-CE3 4.33Å; V263-W267 WeakPolarHBondContact O-CA 3.48Å; V263-W267 PolarHBondContact O-N 3.22Å; W267-S269 PolarHBondContact O-N 3.36Å
268L95.1Very high94.7Very high47 Ų4756.9 Ų56.925%0.24633%0.329CS..PPolyproline II helixtrans-78.9119.3179.3-60.7-179.3000110E152 V155 N156 L159 V266 C273 L276E152-L268 VanDerWaalsContact CG-O 3.31Å; E152-L268 WeakPolarHBondContact CG-O 3.33Å; V155-L268 HydrophobicContact CG1-CD1 4.2Å; N156-L268 PolarHBondContact ND2-O 2.77Å; N156-L268 PolarHBondContact OD1-N 2.77Å; L159-L268 HydrophobicContact CD2-CD1 3.95Å; L159-L268 HydrophobicContact CD2-CG 4.16Å; V266-L268 PolarHBondContact O-N 3.2Å; L268-C273 PolarHBondContact O-SG 2.99Å; L268-C273 VanDerWaalsContact O-SG 3.41Å; L268-L276 HydrophobicContact CD1-CD1 3.69Å
269S94.7Very high94.2Very high59 Ų5956.6 Ų56.641%0.41333%0.327SS..PPolyproline II helixtrans-66.7160.117562.50000112.5W267 S271 A272 C273W267-S269 PolarHBondContact O-N 3.36Å; S269-S271 PolarHBondContact O-N 3.07Å; S269-S271 VanDerWaalsContact O-N 3.11Å; S269-S271 PolarHBondContact OG-OG 3.39Å; S269-A272 PolarHBondContact O-N 2.76Å; S269-A272 VanDerWaalsContact O-N 3.08Å; S269-C273 PolarHBondContact O-N 3Å; S269-C273 PolarHBondContact O-SG 3.41Å
270S93.1Very high93.4Very high33 Ų3357.7 Ų57.723%0.23134%0.34CS..Hα-helixtrans-47.5-40.9177.3-81.40000113.5E152 C273 Q274E152-S270 VanDerWaalsContact OE2-CA 3.26Å; E152-S270 WeakPolarHBondContact OE2-CA 3.47Å; E152-S270 VanDerWaalsContact OE2-CB 3.25Å; E152-S270 WeakPolarHBondContact OE2-CB 3.48Å; E152-S270 PolarHBondContact OE2-N 2.69Å; E152-S270 PolarHBondContact OE2-OG 3.1Å; S270-C273 PolarHBondContact O-N 2.91Å; S270-Q274 WeakPolarHBondContact O-CG 3.42Å; S270-Q274 PolarHBondContact O-N 3.43Å
271S93.1Very high92.6Very high84 Ų8461.6 Ų61.659%0.58736%0.364SS*.Hα-helixtrans-66.6-46.3179.650.90000112.5S269 C273 Q274 T275S269-S271 PolarHBondContact O-N 3.07Å; S269-S271 VanDerWaalsContact O-N 3.11Å; S269-S271 PolarHBondContact OG-OG 3.39Å; S271-C273 VanDerWaalsContact C-N 3.3Å; S271-C273 PolarHBondContact O-N 3.05Å; S271-Q274 PolarHBondContact O-N 3.19Å; S271-T275 PolarHBondContact O-N 2.99Å; S271-T275 PolarHBondContact O-OG1 3.13Å
272A92.9Very high91.2Very high33 Ų3364.6 Ų64.627%0.27338%0.375SS..Hα-helixtrans-61.6-39.917400000111.5S269 T275 L276S269-A272 PolarHBondContact O-N 2.76Å; S269-A272 VanDerWaalsContact O-N 3.08Å; A272-T275 PolarHBondContact O-N 2.95Å; A272-L276 WeakPolarHBondContact O-CG 3.41Å; A272-L276 PolarHBondContact O-N 3.14Å
273C93.3Very high89.5Confident0 Ų065.1 Ų65.10%039%0.385CS..Hα-helixtrans-61.4-43.5174.1-65.30000112.2V155 L268 S269 S270 S271 T275 L276 I277V155-C273 HydrophobicContact CB-CB 4.27Å; V155-C273 HydrophobicContact CG1-CB 4.32Å; V155-C273 HydrophobicContact CG2-CB 4.3Å; L268-C273 PolarHBondContact O-SG 2.99Å; L268-C273 VanDerWaalsContact O-SG 3.41Å; S269-C273 PolarHBondContact O-N 3Å; S269-C273 PolarHBondContact O-SG 3.41Å; S270-C273 PolarHBondContact O-N 2.91Å; S271-C273 VanDerWaalsContact C-N 3.3Å; S271-C273 PolarHBondContact O-N 3.05Å; C273-T275 PolarHBondContact O-N 3.02Å; C273-L276 PolarHBondContact O-N 3.36Å; C273-I277 WeakPolarHBondContact O-CB 3.33Å; C273-I277 WeakPolarHBondContact O-CD1 3.42Å; C273-I277 VanDerWaalsContact O-CG1 3.24Å; C273-I277 WeakPolarHBondContact O-CG1 3.48Å; C273-I277 PolarHBondContact O-N 3.4Å
274Q93.2Very high87.7Confident63 Ų6375.3 Ų75.329%0.29442%0.424SS..Hα-helixtrans-62.3-41.7174.5-69-43.7-68.700112.1L148 S270 S271 L276 I277 S278L148-Q274 HydrophobicContact CD2-CG 3.98Å; S270-Q274 WeakPolarHBondContact O-CG 3.42Å; S270-Q274 PolarHBondContact O-N 3.43Å; S271-Q274 PolarHBondContact O-N 3.19Å; Q274-L276 PolarHBondContact O-N 3.26Å; Q274-I277 PolarHBondContact O-N 2.68Å; Q274-S278 VanDerWaalsContact O-CB 3.28Å; Q274-S278 WeakPolarHBondContact O-CB 3.27Å; Q274-S278 PolarHBondContact O-N 2.99Å
275T91.7Very high85.5Confident84 Ų8474 Ų7452%0.51543%0.425SS..Hα-helixtrans-61-44.9175.9-56.90000111.5S271 A272 C273 S278 I279S271-T275 PolarHBondContact O-N 2.99Å; S271-T275 PolarHBondContact O-OG1 3.13Å; A272-T275 PolarHBondContact O-N 2.95Å; C273-T275 PolarHBondContact O-N 3.02Å; T275-S278 PolarHBondContact O-N 3.42Å; T275-I279 HydrophobicContact CG2-CD1 3.81Å; T275-I279 HydrophobicContact CG2-CG1 4.49Å; T275-I279 WeakPolarHBondContact O-CB 3.48Å; T275-I279 VanDerWaalsContact O-CG1 3.27Å; T275-I279 WeakPolarHBondContact O-CG1 3.27Å; T275-I279 PolarHBondContact O-N 3.33Å
276L91.3Very high83.6Confident91 Ų9173 Ų7348%0.47642%0.42SS..Hα-helixtrans-64.3-43177-70.2173.3000112.6V155 L268 A272 C273 Q274 G280V155-L276 HydrophobicContact CG1-CD1 4.26Å; L268-L276 HydrophobicContact CD1-CD1 3.69Å; A272-L276 WeakPolarHBondContact O-CG 3.41Å; A272-L276 PolarHBondContact O-N 3.14Å; C273-L276 PolarHBondContact O-N 3.36Å; Q274-L276 PolarHBondContact O-N 3.26Å; L276-G280 PolarHBondContact O-N 3.46Å
277I90Very high81.5Confident38 Ų3879.7 Ų79.720%0.19544%0.443CS..Hα-helixtrans-62.8-44.2176.2-68.3163.9000110.3L142 Q151 V155 C273 Q274 G280 T281L142-I277 HydrophobicContact CD1-CD1 4.1Å; Q151-I277 HydrophobicContact CB-CD1 3.91Å; Q151-I277 HydrophobicContact CG-CD1 4.21Å; V155-I277 HydrophobicContact CG2-CD1 4.02Å; V155-I277 HydrophobicContact CG2-CG1 4.12Å; C273-I277 WeakPolarHBondContact O-CB 3.33Å; C273-I277 WeakPolarHBondContact O-CD1 3.42Å; C273-I277 VanDerWaalsContact O-CG1 3.24Å; C273-I277 WeakPolarHBondContact O-CG1 3.48Å; C273-I277 PolarHBondContact O-N 3.4Å; Q274-I277 PolarHBondContact O-N 2.68Å; I277-G280 CarbonylContact O-C 3.58Å; I277-G280 WeakPolarHBondContact O-CA 3.48Å; I277-G280 PolarHBondContact O-N 3.41Å; I277-T281 PolarHBondContact O-N 3.28Å; I277-T281 PolarHBondContact O-OG1 3.08Å
278S88.3Confident79.1Confident58 Ų5889.9 Ų89.941%0.40648%0.484SS..Hα-helixtrans-66.6-42.6179.9-175.70000112.9Q274 T275 G280 T281 L282Q274-S278 VanDerWaalsContact O-CB 3.28Å; Q274-S278 WeakPolarHBondContact O-CB 3.27Å; Q274-S278 PolarHBondContact O-N 2.99Å; T275-S278 PolarHBondContact O-N 3.42Å; S278-G280 VanDerWaalsContact C-N 3.26Å; S278-G280 PolarHBondContact O-N 3.37Å; S278-T281 PolarHBondContact O-N 3.08Å; S278-T281 PolarHBondContact O-OG1 2.88Å; S278-L282 WeakPolarHBondContact O-CB 3.48Å; S278-L282 WeakPolarHBondContact O-CD1 3.06Å; S278-L282 VanDerWaalsContact O-CG 3.26Å; S278-L282 WeakPolarHBondContact O-CG 3.19Å; S278-L282 PolarHBondContact O-N 3.1Å
279I88.7Confident78.2Confident106 Ų10692 Ų9254%0.54450%0.496SS..Hα-helixtrans-60.9-41.1172.3-69.9166.6000109.8T275 S283T275-I279 HydrophobicContact CG2-CD1 3.81Å; T275-I279 HydrophobicContact CG2-CG1 4.49Å; T275-I279 WeakPolarHBondContact O-CB 3.48Å; T275-I279 VanDerWaalsContact O-CG1 3.27Å; T275-I279 WeakPolarHBondContact O-CG1 3.27Å; T275-I279 PolarHBondContact O-N 3.33Å; I279-S283 PolarHBondContact O-N 3.38Å
280G81.5Confident77.4Confident28 Ų2893.7 Ų93.729%0.28950%0.5SS..Hα-helixtrans-54.2-61.3171.700000111.7L276 I277 S278 L282 S283L276-G280 PolarHBondContact O-N 3.46Å; I277-G280 CarbonylContact O-C 3.58Å; I277-G280 WeakPolarHBondContact O-CA 3.48Å; I277-G280 PolarHBondContact O-N 3.41Å; S278-G280 VanDerWaalsContact C-N 3.26Å; S278-G280 PolarHBondContact O-N 3.37Å; G280-L282 VanDerWaalsContact C-N 3.32Å; G280-L282 PolarHBondContact O-N 3.08Å; G280-S283 WeakPolarHBondContact O-CB 3.21Å; G280-S283 PolarHBondContact O-N 3.2Å; G280-S283 PolarHBondContact O-OG 2.84Å
281T80.8Confident76.5Confident84 Ų8497.1 Ų97.152%0.51552%0.515SS..Hα-helixtrans-62.9-33.3-176.254.50000113.7I277 S278 S283 W284 S285I277-T281 PolarHBondContact O-N 3.28Å; I277-T281 PolarHBondContact O-OG1 3.08Å; S278-T281 PolarHBondContact O-N 3.08Å; S278-T281 PolarHBondContact O-OG1 2.88Å; T281-S283 PolarHBondContact O-N 3.16Å; T281-W284 PolarHBondContact O-N 3.49Å; T281-S285 PolarHBondContact O-N 3.01Å; T281-S285 VanDerWaalsContact O-N 3.12Å
282L69.4Low75.5Confident116 Ų11697.9 Ų97.961%0.60751%0.511SS*.Hα-helixtrans-64.5-22.2173.5-75.7165.7000113.6S278 G280 W284 S285S278-L282 WeakPolarHBondContact O-CB 3.48Å; S278-L282 WeakPolarHBondContact O-CD1 3.06Å; S278-L282 VanDerWaalsContact O-CG 3.26Å; S278-L282 WeakPolarHBondContact O-CG 3.19Å; S278-L282 PolarHBondContact O-N 3.1Å; G280-L282 VanDerWaalsContact C-N 3.32Å; G280-L282 PolarHBondContact O-N 3.08Å; L282-W284 VanDerWaalsContact C-N 3.33Å; L282-S285 PolarHBondContact O-OG 3.49Å
283S62.3Low74.4Confident92 Ų92101.9 Ų101.964%0.64353%0.526SS*.THydrogen-bonded Turntrans-80-12.8170.674.30000114I279 G280 T281I279-S283 PolarHBondContact O-N 3.38Å; G280-S283 WeakPolarHBondContact O-CB 3.21Å; G280-S283 PolarHBondContact O-N 3.2Å; G280-S283 PolarHBondContact O-OG 2.84Å; T281-S283 PolarHBondContact O-N 3.16Å
284W58.5Low73.2Confident214 Ų214108.7 Ų108.781%0.81156%0.561SS**THydrogen-bonded Turntrans-105.6-13.4179.2-66.498000113.8T281 L282 P286T281-W284 PolarHBondContact O-N 3.49Å; L282-W284 VanDerWaalsContact C-N 3.33Å; W284-P286 VanDerWaalsContact O-CD 3.26Å; W284-P286 WeakPolarHBondContact O-CD 3.42Å
285S49.9Very low71.8Confident66 Ų66112 Ų11246%0.46258%0.58SS.*SBendtrans-64.7117.1169.847.40000109.4T281 L282T281-S285 PolarHBondContact O-N 3.01Å; T281-S285 VanDerWaalsContact O-N 3.12Å; L282-S285 PolarHBondContact O-OG 3.49Å
286P56.6Low70.2Confident91 Ų91114.2 Ų114.259%0.59159%0.585SS**  trans-64.3145.7-178.5-20.933.5000111.5W284 Y288W284-P286 VanDerWaalsContact O-CD 3.26Å; W284-P286 WeakPolarHBondContact O-CD 3.42Å; P286-Y288 HydrophobicContact CB-CD2 4.38Å; P286-Y288 HydrophobicContact CG-CE2 4.49Å; P286-Y288 PolarHBondContact O-N 3.44Å; P286-Y288 VanDerWaalsContact O-N 3.09Å
287F51Low68.5Low219 Ų219116.1 Ų116.196%0.96159%0.594SS**  trans-65.3104.1152.4-63.8-87.8000107
288Y44.8Very low66.5Low281 Ų281123.2 Ų123.2100%1.10263%0.63SS**  trans-77.20170.2-91-86000111P286P286-Y288 HydrophobicContact CB-CD2 4.38Å; P286-Y288 HydrophobicContact CG-CE2 4.49Å; P286-Y288 PolarHBondContact O-N 3.44Å; P286-Y288 VanDerWaalsContact O-N 3.09Å

Retrieved 288 of 288 residues in 1858.3 ms (Link to these results)