A0A087X8M0_POEFO Loading...

BARX homeobox 2

AlphaFold DB , UniProt , Accession A0A087X8M0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 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
1M39.2Very low46.4Very low232 Ų232159.7 Ų159.7100%1.14380%0.796SS**  0127.60-85.1167.7157.800109.9
2N43.8Very low46.9Very low131 Ų131156.7 Ų156.770%0.70178%0.783SS**  trans71.391.8150.3-55.9-30.7000121.6
3F40.7Very low47.3Very low229 Ų229152.7 Ų152.7100%1.00477%0.766SS**  trans-140.733.5146.3-88.5-76.6000112.7
4G44.8Very low47.7Very low72 Ų72151.5 Ų151.574%0.74276%0.762SS**  trans-99.74.1-170.900000117.9
5T50.9Low48Very low118 Ų118150.8 Ų150.872%0.72476%0.755SS**SBendtrans-133.919.2-159.5130000117.4
6R50.3Low48.2Very low233 Ų233144.8 Ų144.888%0.87974%0.736SS**SBendtrans-106.3-7.5178-73.4-168.9-172.1-166.83.6116.9
7I45.6Very low48.3Very low151 Ų151143.5 Ų143.577%0.77473%0.727SS**SBendtrans-90.9-20.2-178.9-58.1-172.3000112.5
8S48.9Very low48.7Very low83 Ų83140.7 Ų140.758%0.5872%0.718SS**Hα-helixtrans-73.9-35.6-176.7-152.90000113.7R10 R11S8-R10 PolarHBondContact O-N 2.83Å; S8-R11 PolarHBondContact O-N 3.19Å
9S46.1Very low48.7Very low89 Ų89142 Ų14262%0.62271%0.714SS**Hα-helixtrans-72.7-21.3-175.9-60.40000114.9
10R50.7Low49Very low216 Ų216140.9 Ų140.982%0.81571%0.71SS**Hα-helixtrans-80-24.5176.4-74.8-171.7178.9-163.2-0.1113.2S8S8-R10 PolarHBondContact O-N 2.83Å
11R49.7Very low49.1Very low203 Ų203140.6 Ų140.677%0.76671%0.71SS**Hα-helixtrans-77.7-37178.1-110.6-179-170.4178.53.8112.6S8 Q15S8-R11 PolarHBondContact O-N 3.19Å; R11-Q15 PolarHBondContact O-N 3.18Å
12L52.1Low49.6Very low123 Ų123139.6 Ų139.664%0.64469%0.694SS**Hα-helixtrans-70.9-30.9178.4-72.7165.6000112.6A16L12-A16 PolarHBondContact O-N 3.28Å
13N52.1Low49.9Very low105 Ų105138.9 Ų138.956%0.56169%0.689SS**Hα-helixtrans-74.2-36.7-179.2-147.1-81.8000112.6Q15 A16 Q17N13-Q15 VanDerWaalsContact C-N 3.33Å; N13-Q15 PolarHBondContact O-N 3.06Å; N13-A16 PolarHBondContact O-N 3.18Å; N13-Q17 PolarHBondContact O-N 3.29Å
14L52.8Low50.2Low136 Ų136132.7 Ų132.771%0.71268%0.675SS**Hα-helixtrans-69.8-30176-118.772.2000113.1T18L14-T18 PolarHBondContact O-N 3.31Å; L14-T18 PolarHBondContact O-OG1 3.47Å
15Q52.4Low50.2Low141 Ų141134.6 Ų134.666%0.65968%0.675SS**Hα-helixtrans-77.3-31.5-179.9-150.1147.8-19.500111.9R11 N13 T18R11-Q15 PolarHBondContact O-N 3.18Å; N13-Q15 VanDerWaalsContact C-N 3.33Å; N13-Q15 PolarHBondContact O-N 3.06Å; Q15-T18 PolarHBondContact O-OG1 2.95Å
16A51.5Low49.8Very low54 Ų54134.4 Ų134.445%0.44667%0.674SS.*Hα-helixtrans-68.9-39.5172.300000112.5L12 N13 T18 Y19 L20L12-A16 PolarHBondContact O-N 3.28Å; N13-A16 PolarHBondContact O-N 3.18Å; A16-T18 PolarHBondContact O-N 2.77Å; A16-Y19 PolarHBondContact O-N 3.24Å; A16-L20 PolarHBondContact O-N 3.09Å
17Q49Very low49.5Very low124 Ų124129 Ų12958%0.57967%0.669SS**Hα-helixtrans-66.5-36.1179.6-134.77231.100112.7N13 Y19N13-Q17 PolarHBondContact O-N 3.29Å; Q17-Y19 VanDerWaalsContact C-N 3.26Å; Q17-Y19 PolarHBondContact O-N 3.02Å
18T55.7Low49.2Very low92 Ų92126.3 Ų126.356%0.56467%0.669SS**Hα-helixtrans-70.3-19.1175.545.40000114.4L14 Q15 A16L14-T18 PolarHBondContact O-N 3.31Å; L14-T18 PolarHBondContact O-OG1 3.47Å; Q15-T18 PolarHBondContact O-OG1 2.95Å; A16-T18 PolarHBondContact O-N 2.77Å
19Y49.7Very low48.9Very low166 Ų166132.4 Ų132.465%0.65169%0.685SS**Hα-helixtrans-84.3-33-178.6-152.1-95.3000112A16 Q17 R22 L23A16-Y19 PolarHBondContact O-N 3.24Å; Q17-Y19 VanDerWaalsContact C-N 3.26Å; Q17-Y19 PolarHBondContact O-N 3.02Å; Y19-R22 PolarHBondContact O-N 3.03Å; Y19-L23 HydrophobicContact CD1-CD1 4.39Å; Y19-L23 HydrophobicContact CE1-CD1 4.49Å
20L55Low48.4Very low119 Ų119140 Ų14062%0.62370%0.7SS**Hα-helixtrans-75.2-31.7176.3-72173.1000113.1A16 R22 L23A16-L20 PolarHBondContact O-N 3.09Å; L20-R22 PolarHBondContact O-N 3.38Å; L20-L23 PolarHBondContact O-N 3.34Å
21D50.8Low47.8Very low136 Ų136134.3 Ų134.373%0.72770%0.699SS**THydrogen-bonded Turntrans-69.6-21.7173.8-105.1-5.6000113.1
22R49.8Very low47.5Very low210 Ų210133.3 Ų133.379%0.79270%0.703SS**THydrogen-bonded Turntrans-83.5-14.8178.2-124.1178.2-146.9-113.81.9114.1Y19 L20Y19-R22 PolarHBondContact O-N 3.03Å; L20-R22 PolarHBondContact O-N 3.38Å
23L48.5Very low46.8Very low116 Ų116138.9 Ų138.961%0.60772%0.715SS**THydrogen-bonded Turntrans-91.1-10.6177.4-71169.1000113Y19 L20Y19-L23 HydrophobicContact CD1-CD1 4.39Å; Y19-L23 HydrophobicContact CE1-CD1 4.49Å; L20-L23 PolarHBondContact O-N 3.34Å
24S47.7Very low46.4Very low100 Ų100137 Ų13770%0.69972%0.72SS**SBendtrans-91.8-2-179.3-156.70000114.5
25C44.1Very low45.7Very low112 Ų112138.6 Ų138.676%0.75772%0.724SS**  trans-129.864.3178.1-94.30000111.6
26V43.6Very low45.5Very low114 Ų114138.7 Ų138.769%0.69173%0.734SS**  trans-95.1110.6159.3179.60000107.3A28V26-A28 PolarHBondContact O-N 3.46Å
27P42.9Very low44.8Very low120 Ų120143.6 Ų143.678%0.77975%0.75SS**PPolyproline II helixtrans-70.3116.8169.426.4-28.6000108.7K29P27-K29 PolarHBondContact O-N 3.17Å
28A40.6Very low44.5Very low93 Ų93145.6 Ų145.677%0.76976%0.759SS**PPolyproline II helixtrans-55.4126.5175.700000111.1V26 R30V26-A28 PolarHBondContact O-N 3.46Å; A28-R30 PolarHBondContact O-N 3.02Å
29K43.1Very low43.4Very low212 Ų212146.9 Ų146.992%0.92277%0.77SS**PPolyproline II helixtrans-61121.5166.9-65.1-177.6177.3-178.20108.5P27P27-K29 PolarHBondContact O-N 3.17Å
30R34.9Very low42.7Very low249 Ų249147 Ų14794%0.9478%0.776SS**  trans-110.7123.8163.8-159.2169-166.2155.93.8109.5A28A28-R30 PolarHBondContact O-N 3.02Å
31A38.8Very low41.7Very low95 Ų95146.2 Ų146.279%0.78579%0.788SS**  trans-66.9159-169.400000114.9
32H41.9Very low40.9Very low183 Ų183146.4 Ų146.485%0.84778%0.784SS**  trans-28136.9167.4-91.6-104000116.9
33R37.9Very low40.7Very low240 Ų240144.6 Ų144.691%0.90679%0.789SS**  -150.6115.8128.1-103.7-175.9-171-158.81.4109
34G44.2Very low40.1Very low65 Ų65149 Ų14967%0.6780%0.798SS**  trans-69.6140.7173.200000111.1
35H37.7Very low40Very low169 Ų169152.6 Ų152.678%0.78281%0.808SS**  trans-140.3103.2156.9-92.799.3000106.9M37H35-M37 PolarHBondContact O-N 3.41Å
36T48.7Very low39.5Very low143 Ų143152.9 Ų152.988%0.87781%0.812SS**  trans-65.8112.2163.337.60000108.4
37M37.3Very low39Very low157 Ų157152.7 Ų152.777%0.77382%0.815SS**  trans-98.3103.7168.9-74.9-66.2-68.700108.8H35 C39H35-M37 PolarHBondContact O-N 3.41Å; M37-C39 PolarHBondContact O-N 2.9Å
38H41.8Very low39.3Very low166 Ų166153 Ų15377%0.76982%0.818SS**  trans-67.8114166-160.6-87.9000107.9
39C31.7Very low39.3Very low119 Ų119151.9 Ų151.980%0.80482%0.815SS**  trans-9798.2176.5-75.80000109.8M37M37-C39 PolarHBondContact O-N 2.9Å
40Q35.5Very low39.1Very low168 Ų168150.8 Ų150.879%0.78581%0.813SS**  trans-72.6127.3160.4-104.6171.7-13.200109.1E42Q40-E42 PolarHBondContact O-N 3.22Å
41A33.4Very low40Very low104 Ų104147.3 Ų147.386%0.8681%0.812SS**  trans-87.195.217300000109.3
42E35.3Very low40Very low139 Ų139151.7 Ų151.765%0.6581%0.813SS**  trans-92.4116.4165.1-87.6-95129.100108.8Q40 R44Q40-E42 PolarHBondContact O-N 3.22Å; E42-R44 PolarHBondContact O-N 3.01Å; E42-R44 IonicContact OE2-CZ 3.72Å; E42-R44 IonicContact OE2-NH1 2.99Å; E42-R44 PolarHBondContact OE2-NH1 3.34Å; E42-R44 IonicContact OE2-NH2 3.85Å
43L44.7Very low40.1Very low173 Ų173148.4 Ų148.491%0.90682%0.818SS**  trans-66.4105.2170.3-79156.4000109.3
44R36.9Very low40.4Very low209 Ų209141.1 Ų141.179%0.78981%0.809SS**  trans-121.7106.9161.7-74.3-148.5161.571.36.6111.1E42E42-R44 PolarHBondContact O-N 3.01Å; E42-R44 IonicContact OE2-CZ 3.72Å; E42-R44 IonicContact OE2-NH1 2.99Å; E42-R44 PolarHBondContact OE2-NH1 3.34Å; E42-R44 IonicContact OE2-NH2 3.85Å
45L44.2Very low40.4Very low174 Ų174147.1 Ų147.191%0.91181%0.811SS**  trans-69.8124.1160.5-73.2158.1000108.7
46S34.4Very low41.2Very low119 Ų119151.3 Ų151.383%0.83282%0.82SS**  trans-166.9125.6144.7-141.90000114.5
47S32.2Very low41.4Very low109 Ų109152.8 Ų152.876%0.76281%0.81SS**  trans64.1134.6147.1-145.70000123
48P49.2Very low42Very low128 Ų128155.7 Ų155.783%0.83181%0.813SS**  trans-91.1129.4-178.235.9-28.6000111.3
49G41.3Very low42.6Very low69 Ų69155.4 Ų155.471%0.71181%0.81SS**  trans147.493.2168.100000112.3
50Q39.3Very low43.8Very low188 Ų188154.6 Ų154.688%0.87980%0.801SS**  167.2125.6123.6-90.2177.322.900109.7K52Q50-K52 PolarHBondContact O-N 3.07Å; Q50-K52 VanDerWaalsContact O-N 3.11Å
51L53.5Low44.8Very low176 Ų176155.3 Ų155.392%0.92180%0.802SS**  trans-51.6111.1168.1-71.7118.8000110.8
52K39.1Very low47Very low188 Ų188155.3 Ų155.382%0.81779%0.786SS**  trans-134.3101.8144.5-79.9-176.1178.6161.10107.8Q50 A54Q50-K52 PolarHBondContact O-N 3.07Å; Q50-K52 VanDerWaalsContact O-N 3.11Å; K52-A54 PolarHBondContact O-N 3.43Å
53A44.4Very low48.7Very low114 Ų114154.3 Ų154.394%0.94278%0.784SS**  trans-57.284.3169.500000109.4
54A42.8Very low50Low86 Ų86152.3 Ų152.371%0.71177%0.774SS**  trans-83.2133.9174.400000108.9K52K52-A54 PolarHBondContact O-N 3.43Å
55R45Very low51.8Low191 Ų191145.1 Ų145.172%0.72175%0.749SS**  trans67.572.3158.5-100.7171.2174.6-132.24.3116.1R57R55-R57 HydrophobicContact CG-CG 4.32Å; R55-R57 PolarHBondContact O-N 2.87Å
56R55Low53.2Low258 Ų258141.3 Ų141.397%0.97473%0.729SS**  trans-70.477.7142.7-67.6-161.8-173.7-159.94109.1
57R53.5Low54.7Low173 Ų173141.8 Ų141.865%0.65372%0.722SS**  trans-125.1106.2166.6-71.3-165-151.7166.25.3108.1R55R55-R57 HydrophobicContact CG-CG 4.32Å; R55-R57 PolarHBondContact O-N 2.87Å
58Y49.1Very low56.9Low218 Ų218138 Ų13886%0.85570%0.695SS**  trans5576174-54-79.3000114.3T60Y58-T60 VanDerWaalsContact C-N 3.29Å; Y58-T60 PolarHBondContact O-N 3.4Å
59K53.8Low57.7Low160 Ų160142 Ų14270%0.69669%0.693SS**  trans-65.397.4159.5-165.5167.3171.8930105.9F61 E65K59-F61 PolarHBondContact O-N 3.16Å; K59-E65 WeakPolarHBondContact CE-OE1 3.45Å; K59-E65 VanDerWaalsContact CE-OE2 3.3Å; K59-E65 WeakPolarHBondContact CE-OE2 3.45Å; K59-E65 WeakPolarHBondContact CG-OE2 3.26Å; K59-E65 IonicContact NZ-OE1 2.89Å; K59-E65 PolarHBondContact NZ-OE1 3.08Å; K59-E65 IonicContact NZ-OE2 3.61Å
60T56.5Low59.3Low102 Ų102146.5 Ų146.563%0.62670%0.696SS**  trans-49.1124.6171.3-120000106.3Y58 M62Y58-T60 VanDerWaalsContact C-N 3.29Å; Y58-T60 PolarHBondContact O-N 3.4Å; T60-M62 PolarHBondContact O-N 2.94Å
61F57.2Low60.8Low184 Ų184140.1 Ų140.181%0.80767%0.67SS**  trans-65.876.2170.6-84.2-93.9000107.8K59 I63 I66K59-F61 PolarHBondContact O-N 3.16Å; F61-I63 PolarHBondContact O-N 3.47Å; F61-I66 HydrophobicContact CB-CD1 4.37Å; F61-I66 HydrophobicContact CD1-CD1 3.68Å; F61-I66 HydrophobicContact CD1-CG1 4.22Å
62M78.9Confident61.4Low104 Ų104135.2 Ų135.251%0.51265%0.65SS.*  trans-72.5123.6169.3-62.9-160.6-69.100105.3T60 D64 E65 I66T60-M62 PolarHBondContact O-N 2.94Å; M62-D64 PolarHBondContact O-N 3.13Å; M62-D64 VanDerWaalsContact O-N 3.12Å; M62-E65 HydrophobicContact CB-CB 4.24Å; M62-E65 WeakPolarHBondContact O-CB 3.44Å; M62-E65 PolarHBondContact O-N 3.41Å; M62-I66 PolarHBondContact O-N 2.91Å
63I72.3Confident62.7Low118 Ų118130.5 Ų130.561%0.60563%0.633SS**Hα-helixtrans-54-34.8178.5-64.2168.9000109.1F61 E65 I66 L67F61-I63 PolarHBondContact O-N 3.47Å; I63-E65 VanDerWaalsContact C-N 3.26Å; I63-E65 PolarHBondContact O-N 2.89Å; I63-I66 PolarHBondContact O-N 2.98Å; I63-L67 HydrophobicContact CG2-CD1 3.61Å; I63-L67 HydrophobicContact CG2-CG 4.1Å; I63-L67 WeakPolarHBondContact O-CB 3.37Å; I63-L67 VanDerWaalsContact O-CG 3.3Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 3.19Å
64D71.9Confident64.1Low131 Ų131132.7 Ų132.770%0.70162%0.618SS**Hα-helixtrans-63.7-27.3176.8-53.2-40000113.6M62 S68M62-D64 PolarHBondContact O-N 3.13Å; M62-D64 VanDerWaalsContact O-N 3.12Å; D64-S68 WeakPolarHBondContact O-CA 3.46Å; D64-S68 WeakPolarHBondContact O-CB 3.13Å; D64-S68 PolarHBondContact O-N 3.17Å
65E73.8Confident65Low58 Ų58136.1 Ų136.127%0.27162%0.617SS.*Hα-helixtrans-81.8-33.3177.1-166.7171.2-142.900111.9K59 M62 I63 S68 T71K59-E65 WeakPolarHBondContact CE-OE1 3.45Å; K59-E65 VanDerWaalsContact CE-OE2 3.3Å; K59-E65 WeakPolarHBondContact CE-OE2 3.45Å; K59-E65 WeakPolarHBondContact CG-OE2 3.26Å; K59-E65 IonicContact NZ-OE1 2.89Å; K59-E65 PolarHBondContact NZ-OE1 3.08Å; K59-E65 IonicContact NZ-OE2 3.61Å; M62-E65 HydrophobicContact CB-CB 4.24Å; M62-E65 WeakPolarHBondContact O-CB 3.44Å; M62-E65 PolarHBondContact O-N 3.41Å; I63-E65 VanDerWaalsContact C-N 3.26Å; I63-E65 PolarHBondContact O-N 2.89Å; E65-S68 WeakPolarHBondContact O-CB 3.43Å; E65-S68 PolarHBondContact O-N 2.93Å; E65-S68 PolarHBondContact O-OG 3.39Å; E65-T71 VanDerWaalsContact O-CG2 3.22Å; E65-T71 WeakPolarHBondContact O-CG2 3.1Å; E65-T71 PolarHBondContact O-OG1 3.49Å
66I74Confident65.9Low94 Ų94132.9 Ų132.948%0.48261%0.61SS.*Hα-helixtrans-75-30.1175-53.3167.5000111.3F61 M62 I63 T71F61-I66 HydrophobicContact CB-CD1 4.37Å; F61-I66 HydrophobicContact CD1-CD1 3.68Å; F61-I66 HydrophobicContact CD1-CG1 4.22Å; M62-I66 PolarHBondContact O-N 2.91Å; I63-I66 PolarHBondContact O-N 2.98Å; I66-T71 PolarHBondContact O-OG1 3.39Å
67L66.8Low66.1Low129 Ų129128.4 Ų128.468%0.67560%0.598SS**SBendtrans-95.45.5175.3-59.2-178.8000112I63I63-L67 HydrophobicContact CG2-CD1 3.61Å; I63-L67 HydrophobicContact CG2-CG 4.1Å; I63-L67 WeakPolarHBondContact O-CB 3.37Å; I63-L67 VanDerWaalsContact O-CG 3.3Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 3.19Å
68S77.8Confident66.6Low29 Ų29124.4 Ų124.420%0.20359%0.589CS.*SBendtrans-65.5143.7177.970.50000109.9D64 E65 E70 T71 C72D64-S68 WeakPolarHBondContact O-CA 3.46Å; D64-S68 WeakPolarHBondContact O-CB 3.13Å; D64-S68 PolarHBondContact O-N 3.17Å; E65-S68 WeakPolarHBondContact O-CB 3.43Å; E65-S68 PolarHBondContact O-N 2.93Å; E65-S68 PolarHBondContact O-OG 3.39Å; S68-E70 PolarHBondContact O-N 2.77Å; S68-T71 PolarHBondContact N-OG1 3.48Å; S68-T71 PolarHBondContact O-N 2.73Å; S68-T71 PolarHBondContact O-OG1 3.47Å; S68-T71 WeakPolarHBondContact OG-CG2 3.3Å; S68-T71 PolarHBondContact OG-N 3.4Å; S68-T71 PolarHBondContact OG-OG1 3.07Å; S68-T71 VanDerWaalsContact OG-OG1 3.05Å; S68-C72 PolarHBondContact O-N 2.9Å
69R66.4Low66.9Low212 Ų212117.9 Ų117.980%0.858%0.576SS**Hα-helixtrans-53.3-39.3177.9-82.3179.6177.2-111.73.1111.9T71 C72 D73R69-T71 VanDerWaalsContact C-N 3.34Å; R69-T71 PolarHBondContact O-N 3.38Å; R69-C72 WeakPolarHBondContact O-CB 3.39Å; R69-C72 PolarHBondContact O-N 3.48Å; R69-D73 WeakPolarHBondContact O-CB 3.33Å; R69-D73 PolarHBondContact O-N 3.11Å
70E74.2Confident66.9Low163 Ų163116.7 Ų116.776%0.76258%0.576SS**Hα-helixtrans-60.4-40.4178.3-64.3174.4-179.400112.8S68 Y74S68-E70 PolarHBondContact O-N 2.77Å; E70-Y74 WeakPolarHBondContact O-CB 3.5Å; E70-Y74 PolarHBondContact O-N 3.49Å; E70-Y74 VanDerWaalsContact O-N 3.09Å
71T70.8Confident66.8Low54 Ų54122.3 Ų122.333%0.33159%0.587SS.*Hα-helixtrans-75.5-33.2175.555.60000113.4E65 I66 S68 R69 F75E65-T71 VanDerWaalsContact O-CG2 3.22Å; E65-T71 WeakPolarHBondContact O-CG2 3.1Å; E65-T71 PolarHBondContact O-OG1 3.49Å; I66-T71 PolarHBondContact O-OG1 3.39Å; S68-T71 PolarHBondContact N-OG1 3.48Å; S68-T71 PolarHBondContact O-N 2.73Å; S68-T71 PolarHBondContact O-OG1 3.47Å; S68-T71 WeakPolarHBondContact OG-CG2 3.3Å; S68-T71 PolarHBondContact OG-N 3.4Å; S68-T71 PolarHBondContact OG-OG1 3.07Å; S68-T71 VanDerWaalsContact OG-OG1 3.05Å; R69-T71 VanDerWaalsContact C-N 3.34Å; R69-T71 PolarHBondContact O-N 3.38Å; T71-F75 PolarHBondContact O-N 2.9Å; T71-F75 VanDerWaalsContact O-N 3.15Å
72C66Low66.2Low74 Ų74117.4 Ų117.450%0.558%0.576SS.*Hα-helixtrans-65-48.8174.4-169.20000110.6S68 R69 Y74 F75 E76S68-C72 PolarHBondContact O-N 2.9Å; R69-C72 WeakPolarHBondContact O-CB 3.39Å; R69-C72 PolarHBondContact O-N 3.48Å; C72-Y74 VanDerWaalsContact C-N 3.3Å; C72-Y74 PolarHBondContact O-N 2.9Å; C72-F75 PolarHBondContact O-N 2.96Å; C72-F75 VanDerWaalsContact O-N 3.15Å; C72-E76 PolarHBondContact O-N 3.49Å
73D67.6Low64.8Low89 Ų89119.1 Ų119.148%0.47658%0.584SS.*Hα-helixtrans-64.1-35.8179.2-64.5-12.7000111.1R69 E76 K77R69-D73 WeakPolarHBondContact O-CB 3.33Å; R69-D73 PolarHBondContact O-N 3.11Å; D73-E76 PolarHBondContact O-N 3.22Å; D73-K77 WeakPolarHBondContact O-CB 3.36Å; D73-K77 PolarHBondContact O-N 3.08Å
74Y72.2Confident63.5Low159 Ų159119.5 Ų119.562%0.62460%0.596SS**Hα-helixtrans-62.1-45.1173.1-178.6-103.6000112E70 C72 K77 L78E70-Y74 WeakPolarHBondContact O-CB 3.5Å; E70-Y74 PolarHBondContact O-N 3.49Å; E70-Y74 VanDerWaalsContact O-N 3.09Å; C72-Y74 VanDerWaalsContact C-N 3.3Å; C72-Y74 PolarHBondContact O-N 2.9Å; Y74-K77 PolarHBondContact O-N 3.14Å; Y74-L78 HydrophobicContact CD1-CD1 3.69Å; Y74-L78 HydrophobicContact CD2-CD1 4.09Å; Y74-L78 HydrophobicContact CE1-CD1 3.32Å; Y74-L78 HydrophobicContact CE2-CD1 3.74Å; Y74-L78 HydrophobicContact CG-CD1 4.06Å; Y74-L78 WeakPolarHBondContact O-CD1 3.3Å; Y74-L78 PolarHBondContact O-N 2.88Å
75F62.6Low62.5Low158 Ų158118.8 Ų118.869%0.69360%0.599SS**Hα-helixtrans-69.7-34.7179.4-136.8-91.7000112.3T71 C72 L78 S79T71-F75 PolarHBondContact O-N 2.9Å; T71-F75 VanDerWaalsContact O-N 3.15Å; C72-F75 PolarHBondContact O-N 2.96Å; C72-F75 VanDerWaalsContact O-N 3.15Å; F75-L78 PolarHBondContact O-N 2.94Å; F75-S79 PolarHBondContact O-N 3.18Å
76E64.5Low61.1Low123 Ų123120.1 Ų120.158%0.57561%0.614SS**Hα-helixtrans-66.8-40.8174.7-137.4176.8-162.300111.6C72 D73 S79 L80C72-E76 PolarHBondContact O-N 3.49Å; D73-E76 PolarHBondContact O-N 3.22Å; E76-S79 WeakPolarHBondContact O-CB 3.22Å; E76-S79 PolarHBondContact O-N 3.12Å; E76-L80 PolarHBondContact O-N 3.04Å
77K59.3Low59.7Low164 Ų164124 Ų12471%0.71364%0.635SS**Hα-helixtrans-63.9-39.3173.1-118.3174.5179.9174.70112.9D73 Y74 S79 L80 Y81D73-K77 WeakPolarHBondContact O-CB 3.36Å; D73-K77 PolarHBondContact O-N 3.08Å; Y74-K77 PolarHBondContact O-N 3.14Å; K77-S79 VanDerWaalsContact C-N 3.32Å; K77-L80 PolarHBondContact O-N 3.32Å; K77-Y81 PolarHBondContact O-N 3.39Å
78L63.2Low59Low90 Ų90124.1 Ų124.147%0.47164%0.635SS.*Hα-helixtrans-64.7-36.8172.8-96.4103.1000112.1Y74 F75 L80 Y81 S82Y74-L78 HydrophobicContact CD1-CD1 3.69Å; Y74-L78 HydrophobicContact CD2-CD1 4.09Å; Y74-L78 HydrophobicContact CE1-CD1 3.32Å; Y74-L78 HydrophobicContact CE2-CD1 3.74Å; Y74-L78 HydrophobicContact CG-CD1 4.06Å; Y74-L78 WeakPolarHBondContact O-CD1 3.3Å; Y74-L78 PolarHBondContact O-N 2.88Å; F75-L78 PolarHBondContact O-N 2.94Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-Y81 PolarHBondContact O-N 3.33Å; L78-S82 PolarHBondContact O-N 2.94Å
79S55.8Low57.3Low81 Ų81128.9 Ų128.957%0.56666%0.662SS**Hα-helixtrans-66.9-34.9176.5-169.70000112.5F75 E76 K77 S82F75-S79 PolarHBondContact O-N 3.18Å; E76-S79 WeakPolarHBondContact O-CB 3.22Å; E76-S79 PolarHBondContact O-N 3.12Å; K77-S79 VanDerWaalsContact C-N 3.32Å; S79-S82 PolarHBondContact O-N 3.08Å
80L54.2Low56.4Low135 Ų135129 Ų12971%0.70766%0.663SS**Hα-helixtrans-74-29.3178-73.6169.4000113.1E76 K77 L78 S82E76-L80 PolarHBondContact O-N 3.04Å; K77-L80 PolarHBondContact O-N 3.32Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L80-S82 VanDerWaalsContact C-N 3.29Å; L80-S82 PolarHBondContact O-N 2.63Å
81Y53.3Low54.9Low219 Ų219126.9 Ų126.986%0.85966%0.663SS**Hα-helixtrans-78.1-12.4175.9-163.9-103.4000113.4K77 L78K77-Y81 PolarHBondContact O-N 3.39Å; L78-Y81 PolarHBondContact O-N 3.33Å
82S45.3Very low53.3Low81 Ų81133.1 Ų133.157%0.56669%0.686SS**THydrogen-bonded Turntrans-82.5-11.4-179.5-174.40000114.2L78 S79 L80L78-S82 PolarHBondContact O-N 2.94Å; S79-S82 PolarHBondContact O-N 3.08Å; L80-S82 VanDerWaalsContact C-N 3.29Å; L80-S82 PolarHBondContact O-N 2.63Å
83M48.8Very low52.7Low141 Ų141135.3 Ų135.370%0.69570%0.699SS**SBendtrans-101101178-60.9-68.790.100109.1P85M83-P85 WeakPolarHBondContact O-CD 3.26Å
84C44.7Very low51.3Low126 Ų126137.7 Ų137.785%0.85171%0.711SS**  trans-55121.8172.7-62.70000110.2S86C84-S86 PolarHBondContact O-N 3.21Å
85P51.7Low49.9Very low116 Ų116138.3 Ų138.375%0.75372%0.719SS**  trans-78.4122.4168.730.9-27.2000108.5M83M83-P85 WeakPolarHBondContact O-CD 3.26Å
86S44.4Very low49.1Very low86 Ų86136.3 Ų136.360%0.60173%0.725SS**  trans67.176.7145-44.20000118.4C84 I88C84-S86 PolarHBondContact O-N 3.21Å; S86-I88 PolarHBondContact O-N 3.36Å
87L45Very low47.7Very low174 Ų174136.8 Ų136.891%0.91174%0.74SS**  trans-87.172.7135.5-67.3-177.9000108.2V89L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 PolarHBondContact O-N 3.27Å
88I50.7Low47.3Very low133 Ų133135.4 Ų135.468%0.68275%0.751SS**  trans-74.193.1166-66.3171.1000106.1S86 R90S86-I88 PolarHBondContact O-N 3.36Å; I88-R90 PolarHBondContact O-N 2.78Å; I88-R90 VanDerWaalsContact O-N 3.17Å
89V43.3Very low46Very low128 Ų128134.7 Ų134.778%0.77677%0.766SS**  trans-72.4104165.4176.70000106.7L87 P91L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 PolarHBondContact O-N 3.27Å; V89-P91 WeakPolarHBondContact O-CD 3.45Å
90R46.4Very low45.8Very low216 Ų216136.1 Ų136.182%0.81578%0.776SS**  trans-76.6115.5173.5-153.1173.2-167113.4-2107.7I88 K92I88-R90 PolarHBondContact O-N 2.78Å; I88-R90 VanDerWaalsContact O-N 3.17Å; R90-K92 PolarHBondContact O-N 2.98Å
91P42.8Very low45.4Very low117 Ų117134.9 Ų134.976%0.7678%0.778SS**  trans-73.8115.5172.427.7-28.5000108.6V89V89-P91 WeakPolarHBondContact O-CD 3.45Å
92K38.4Very low44.9Very low185 Ų185129.3 Ų129.380%0.80477%0.772SS**  trans-75.2128.6163.5-87.2171171.3165.70107.9R90 L94R90-K92 PolarHBondContact O-N 2.98Å; K92-L94 PolarHBondContact O-N 2.75Å
93P52.1Low45.3Very low120 Ų120133 Ų13378%0.77978%0.784SS**  trans-81.9110167.331.4-25.5000107.5
94L38.4Very low45Very low140 Ų140136.2 Ų136.273%0.73379%0.788SS**  trans-135107.7161.6-71.7177.7000108.6K92K92-L94 PolarHBondContact O-N 2.75Å
95H43.3Very low44.8Very low171 Ų171135.9 Ų135.979%0.79279%0.788SS**  trans34.5117.7137.4-63.5-82.3000119.3
96S45.3Very low44.2Very low117 Ų117138.5 Ų138.582%0.81878%0.784SS**  trans12.5115.2142.7-51.60000118.4
97C35.1Very low44.6Very low132 Ų132139.8 Ų139.889%0.89279%0.79SS**  trans-148.5122.5148.7-75.10000109.6
98S50.5Low44.8Very low135 Ų135139.5 Ų139.594%0.94479%0.789SS**  trans-66.2137.7166.3176.80000110.1
99G37.4Very low44.6Very low75 Ų75141.1 Ų141.177%0.77380%0.798SS**  trans175.1118.817600000113.5
100S50.1Low44.6Very low112 Ų112139.8 Ų139.878%0.78379%0.794SS**  trans-75.2155.9-174.6-177.90000114.3
101S45.5Very low44.5Very low108 Ų108135.7 Ų135.776%0.75579%0.793SS**  trans73.7115.1151.7-65.80000119.9
102S44.5Very low44.5Very low103 Ų103136.8 Ų136.872%0.7279%0.791SS**  151.911198.4-164.60000112.6
103L53.2Low44.8Very low158 Ų158133.5 Ų133.583%0.82779%0.786SS**  trans40.1104.2141.4-54.4176.9000119.8
104R42.8Very low44.3Very low208 Ų208138.7 Ų138.779%0.78579%0.79SS**  -159.989.5122.9-111.2-165.4-90.4176.4-6.1110.6Y106R104-Y106 HydrophobicContact CB-CE2 4.49Å
105S40.4Very low44.4Very low120 Ų120140 Ų14084%0.83979%0.792SS**PPolyproline II helixtrans-76.5117168.9178.70000108.8
106Y38.9Very low44.3Very low171 Ų171137 Ų13767%0.67179%0.788SS**PPolyproline II helixtrans-98.3137.7161.3-74.9-83.9000108.1R104 L108R104-Y106 HydrophobicContact CB-CE2 4.49Å; Y106-L108 PolarHBondContact O-N 2.72Å
107P52.8Low44.4Very low113 Ų113137 Ų13773%0.73479%0.785SS**PPolyproline II helixtrans-70.6121.7-169.628.7-33.1000110.2L109P107-L109 PolarHBondContact O-N 3.38Å
108L49.8Very low44.7Very low168 Ų168137.2 Ų137.288%0.8878%0.778SS**  trans-69.1111.8160.3-65.6-178.5000107.2Y106 S110Y106-L108 PolarHBondContact O-N 2.72Å; L108-S110 PolarHBondContact O-N 2.72Å
109L45.4Very low44.2Very low167 Ų167137.3 Ų137.387%0.87477%0.772SS**  trans-57101.6164.7-80.8142.3000108.2P107 V111P107-L109 PolarHBondContact O-N 3.38Å; L109-V111 PolarHBondContact O-N 3.26Å; L109-V111 VanDerWaalsContact O-N 3.17Å
110S44.6Very low44.4Very low99 Ų99140.9 Ų140.969%0.69277%0.769SS**  trans-66.1110166.8380000108.1L108 I112L108-S110 PolarHBondContact O-N 2.72Å; S110-I112 VanDerWaalsContact C-N 3.33Å; S110-I112 PolarHBondContact O-N 3.17Å
111V43.2Very low44Very low130 Ų130141.8 Ų141.879%0.78877%0.772SS**  trans-65.598168.1172.80000107.1L109 T113L109-V111 PolarHBondContact O-N 3.26Å; L109-V111 VanDerWaalsContact O-N 3.17Å; V111-T113 VanDerWaalsContact C-N 3.26Å; V111-T113 PolarHBondContact O-N 3.17Å
112I43.2Very low43.7Very low140 Ų140144.6 Ų144.672%0.71877%0.773SS**  trans-67.990.8167.6-62.8165000106.6S110 R114S110-I112 VanDerWaalsContact C-N 3.33Å; S110-I112 PolarHBondContact O-N 3.17Å; I112-R114 VanDerWaalsContact C-N 3.33Å; I112-R114 HydrophobicContact CG2-CG 4.13Å; I112-R114 PolarHBondContact O-N 2.96Å
113T44.7Very low43.7Very low116 Ų116147.1 Ų147.171%0.71278%0.778SS**  trans-63.798.6158.2145.70000106.6V111 Q115V111-T113 VanDerWaalsContact C-N 3.26Å; V111-T113 PolarHBondContact O-N 3.17Å; T113-Q115 PolarHBondContact O-N 2.86Å
114R41.7Very low43.4Very low230 Ų230144.9 Ų144.987%0.86877%0.773SS**  trans-65.2102.9166.9-83.8-163.1151.4-123.4-4.5108.2I112I112-R114 VanDerWaalsContact C-N 3.33Å; I112-R114 HydrophobicContact CG2-CG 4.13Å; I112-R114 PolarHBondContact O-N 2.96Å
115Q39.3Very low43.4Very low166 Ų166143 Ų14378%0.77677%0.773SS**PPolyproline II helixtrans-56137.8156-80-14642.200109.3T113T113-Q115 PolarHBondContact O-N 2.86Å
116P42.9Very low43.6Very low108 Ų108142.6 Ų142.670%0.70177%0.767SS**PPolyproline II helixtrans-68.7138.3164.829.4-31.1000109.2N118P116-N118 PolarHBondContact O-N 3.44Å
117P46.5Very low43.4Very low117 Ų117139.6 Ų139.676%0.7677%0.771SS**PPolyproline II helixtrans-66.6126.2177.525.3-30.5000110.6V119P117-V119 PolarHBondContact O-N 3.1Å
118N41.2Very low42.9Very low138 Ų138139.6 Ų139.674%0.73877%0.774SS**  trans-58105.9165.8-174.4-19.7000108.9P116P116-N118 PolarHBondContact O-N 3.44Å
119V41.3Very low42.9Very low136 Ų136137.9 Ų137.982%0.82477%0.773SS**  trans-89.5102.9170-123.70000107.2P117P117-V119 PolarHBondContact O-N 3.1Å
120Q40.6Very low42.4Very low151 Ų151133.4 Ų133.471%0.70677%0.767SS**  trans-72.5133.1165.5-67.6-132.6-27.700109.7H122Q120-H122 PolarHBondContact O-N 3.4Å
121P42Very low42.1Very low131 Ų131133.3 Ų133.385%0.85177%0.772SS**  trans-81.4103.3169.730.8-26.6000108.6
122H39.8Very low41.8Very low167 Ų167134.2 Ų134.277%0.77378%0.778SS**  trans-91.4119.2165.361.9-84000108.9Q120Q120-H122 PolarHBondContact O-N 3.4Å
123L44.3Very low41.7Very low156 Ų156132.7 Ų132.782%0.81778%0.78SS**  trans-72.9147.9169.5-16673000109.4
124P47Very low41.5Very low111 Ų111132 Ų13272%0.72178%0.779SS**  trans-125.8126.8140.822.6-5.8000111.8
125Q41.7Very low41.4Very low169 Ų169129.1 Ų129.179%0.7978%0.775SS**  trans-65.7153.6157.1-125.8179.5-11.500109.2
126P45.9Very low41.6Very low111 Ų111128.7 Ų128.772%0.72178%0.778SS**  -148.3155.999.535.8-17.8000116.6
127S33.9Very low42.1Very low107 Ų107129.1 Ų129.175%0.74878%0.78SS**  trans57.1108.8145.8560000121.6
128S42.2Very low41.5Very low113 Ų113130.3 Ų130.379%0.7978%0.779SS**  trans-61.2167.5146.2-124.50000111.2
129P50.1Low41.4Very low132 Ų132132 Ų13286%0.85779%0.785SS**  -146.3164.552.937.4-16.2000116.7
130G34.6Very low41.3Very low74 Ų74129.7 Ų129.776%0.76378%0.775SS**  trans175.598.9167.100000112.9
131A37.9Very low41.8Very low96 Ų96128.1 Ų128.179%0.79378%0.778SS**  trans-61.4151.3178.600000113.6
132V37.8Very low41.3Very low149 Ų149129.2 Ų129.290%0.90377%0.772SS**  -169.5141109.1-870000111.5
133S40.9Very low41.2Very low109 Ų109127.5 Ų127.576%0.76277%0.767SS**  trans-64.4148.3176.1-178.90000113.4
134S40.2Very low41.4Very low100 Ų100125.4 Ų125.470%0.69976%0.763SS**  trans-173.8103.4147.1-85.90000113.7
135H39.8Very low40.8Very low171 Ų171131.3 Ų131.379%0.79277%0.771SS**  trans36.3130.5141.273.8-85.2000123.6
136L44Very low40.3Very low157 Ų157126.3 Ų126.382%0.82277%0.765SS**  trans-75.4172.6159.8-77.7179.6000111.1
137P52.4Low39.9Very low116 Ų116126.5 Ų126.575%0.75377%0.769SS**  cis-151.7162.537.441.8-18.9000121.3
138L34Very low40.1Very low142 Ų142128.9 Ų128.974%0.74377%0.768SS**  trans45.7121.6131.6-164.768.1000120.5
139M40.3Very low40Very low174 Ų174128.9 Ų128.986%0.85777%0.765SS**  -162.5123.7123.2-87.4-98.488.900109.3
140S38.1Very low39.4Very low87 Ų87126.4 Ų126.461%0.60875%0.752SS**  trans-96.1165.5167.8-154.10000108.3
141P50.3Low39.9Very low118 Ų118128.3 Ų128.377%0.76675%0.75SS**  -146141.181.227.1-4.5000117.3
142Q31.7Very low39.9Very low155 Ų155128.6 Ų128.672%0.72475%0.747SS**  69.6101.4128.7-59.7-76.6-17.400121.7
143L37.5Very low39.9Very low130 Ų130130.6 Ų130.668%0.68175%0.746SS**  20.3167.4121-90102.7000122.4R145L143-R145 HydrophobicContact CD2-CB 3.74Å
144P49.2Very low40Very low113 Ų113131.9 Ų131.973%0.73475%0.75SS**  cis-129.4153.21124.9-0.9000114.4
145R34.2Very low40.1Very low234 Ų234133 Ų13388%0.88376%0.755SS**  68.6120.461-166170.4-162178.34.9115.4L143L143-R145 HydrophobicContact CD2-CB 3.74Å
146G31.8Very low40.1Very low64 Ų64132.5 Ų132.566%0.6676%0.757SS**  trans146130.8154.700000110.4
147S37.7Very low40.1Very low116 Ų116130.4 Ų130.481%0.81176%0.755SS**  cis177.7130.9-7.723.50000104.5
148E37Very low39.4Very low157 Ų157132.4 Ų132.473%0.73476%0.758SS**  trans-53150.9155.8-113.6-84.5116.100109.2S150E148-S150 VanDerWaalsContact CD-N 3.27Å; E148-S150 PolarHBondContact OE1-N 2.91Å; E148-S150 PolarHBondContact OE2-N 3.48Å
149P41.8Very low40Very low112 Ų112130.7 Ų130.773%0.72776%0.758SS**  -147.2145.882.636-17.1000116.8
150S36.6Very low40Very low81 Ų81126.8 Ų126.857%0.56675%0.748SS**  trans-51.5148.7149.2-171.10000112E148E148-S150 VanDerWaalsContact CD-N 3.27Å; E148-S150 PolarHBondContact OE1-N 2.91Å; E148-S150 PolarHBondContact OE2-N 3.48Å
151P44.3Very low40.5Very low114 Ų114131.1 Ų131.174%0.7476%0.758SS**  -140.8147.4110.133.7-18.9000114.8
152S38.3Very low39.9Very low102 Ų102130 Ų13071%0.71375%0.753SS**  trans-33139.6158.1-44.30000115.3
153Q39.1Very low40.9Very low191 Ų191132.2 Ų132.289%0.89376%0.764SS**  trans-163.8111.1141-106.9166.287.100111.2
154T42.3Very low40.9Very low136 Ų136131.6 Ų131.683%0.83477%0.765SS**  trans-67148.215228.20000109.7
155P42.2Very low40.8Very low124 Ų124135 Ų13581%0.80577%0.771SS**  trans-129142.8134.929.2-15.1000112.4
156L40.1Very low40.9Very low160 Ų160128.3 Ų128.384%0.83876%0.761SS**  trans-69.5150.5173.7-67.6161000111.4
157S44.2Very low41.5Very low113 Ų113130.1 Ų130.179%0.7976%0.763SS**  trans23.4113.9150.8-62.10000119.9
158I37.2Very low41.7Very low158 Ų158130.2 Ų130.281%0.8176%0.759SS**  trans-129.3112.7138-78.7177.8000107.8
159S46Very low42.3Very low106 Ų106128 Ų12874%0.74176%0.758SS**  trans-65.5123.8157.6-170.90000107.1
160S41Very low43.1Very low92 Ų92133.9 Ų133.964%0.64377%0.766SS**  trans-147.793.8166.3-146.80000108.9S162S160-S162 PolarHBondContact O-N 2.79Å
161E49Very low44.2Very low177 Ų177137.7 Ų137.783%0.82778%0.779SS**  trans-45.111115554.6-13874.900110.7
162S37.9Very low45.1Very low94 Ų94141.6 Ų141.666%0.65778%0.784SS**  trans-141.4103.8162.336.20000107.4S160 T164S160-S162 PolarHBondContact O-N 2.79Å; S162-T164 PolarHBondContact O-N 3.23Å; S162-T164 VanDerWaalsContact O-N 3.09Å
163E50.8Low46.4Very low203 Ų203145.8 Ų145.895%0.94979%0.79SS**  trans-60.3108.8167.5-62.2-134.2105.400107.8
164T38.8Very low47.8Very low116 Ų116142.3 Ų142.371%0.71278%0.784SS**  trans-133.9110.6163.5-40.90000106S162 S166S162-T164 PolarHBondContact O-N 3.23Å; S162-T164 VanDerWaalsContact O-N 3.09Å; T164-S166 PolarHBondContact O-N 3.37Å
165E47.3Very low49.3Very low184 Ų184147.3 Ų147.386%0.8679%0.787SS**  trans-58.881.6177.4-161.4-147.9127.500109.6S167E165-S167 PolarHBondContact O-N 3.39Å
166S36.6Very low51Low95 Ų95153 Ų15366%0.66479%0.793SS**  trans-85.7101.3167.264.60000107T164 T168T164-S166 PolarHBondContact O-N 3.37Å; S166-T168 VanDerWaalsContact C-N 3.27Å; S166-T168 PolarHBondContact O-N 2.87Å
167S42.8Very low52.9Low101 Ų101150.8 Ų150.871%0.70679%0.79SS**  trans-49.792.9165.242.10000109.1E165 P169E165-S167 PolarHBondContact O-N 3.39Å; S167-P169 WeakPolarHBondContact O-CD 3.46Å
168T42.4Very low55Low118 Ų118156.2 Ų156.272%0.72479%0.794SS**  trans-59.8111.7176.249.50000107.6S166 R170S166-T168 VanDerWaalsContact C-N 3.27Å; S166-T168 PolarHBondContact O-N 2.87Å; T168-R170 PolarHBondContact O-N 2.97Å
169P50Low57.4Low110 Ų110153.2 Ų153.271%0.71478%0.783SS**  trans-66.4114.9176.626.7-30.2000105.7S167 L171S167-P169 WeakPolarHBondContact O-CD 3.46Å; P169-L171 VanDerWaalsContact C-N 3.35Å; P169-L171 PolarHBondContact O-N 3.44Å
170R57.3Low59.7Low236 Ų236155.6 Ų155.689%0.89179%0.786SS**  trans-43.6102.4171.3-78.1-178.6-97-103.11.6108.1T168 K172T168-R170 PolarHBondContact O-N 2.97Å; R170-K172 VanDerWaalsContact C-N 3.31Å; R170-K172 PolarHBondContact O-N 3.27Å
171L59.8Low62.4Low162 Ų162153.5 Ų153.585%0.84877%0.765SS**  trans-59.397.4179.8-77.2155.5000107P169 K173P169-L171 VanDerWaalsContact C-N 3.35Å; P169-L171 PolarHBondContact O-N 3.44Å; L171-K173 PolarHBondContact O-N 3.36Å
172K63.7Low64.7Low195 Ų195148.8 Ų148.885%0.84875%0.749SS**  trans-56.2110.2172-66.5179.2-178.3176.10105.1R170 P174R170-K172 VanDerWaalsContact C-N 3.31Å; R170-K172 PolarHBondContact O-N 3.27Å; K172-P174 WeakPolarHBondContact O-CD 3.25Å
173K65.6Low67.5Low190 Ų190152.3 Ų152.383%0.82676%0.755SS**  trans-44118.8177.7-9679.4172.4-178.20107.5L171 R175L171-K173 PolarHBondContact O-N 3.36Å; K173-R175 PolarHBondContact O-N 3.47Å; K173-R175 VanDerWaalsContact O-N 3.17Å
174P68.3Low69.8Low119 Ų119148.6 Ų148.677%0.77374%0.74SS**PPolyproline II helixtrans-53.8126.5-179-27.134.1000109.2K172 R176K172-P174 WeakPolarHBondContact O-CD 3.25Å; P174-R176 PolarHBondContact O-N 3.45Å; P174-R176 VanDerWaalsContact O-N 3.17Å
175R75Confident72.6Confident240 Ų240144.7 Ų144.791%0.90671%0.714SS**PPolyproline II helixtrans-57.5126172.9-63-179.885.5178.78.1106.2K173 S177K173-R175 PolarHBondContact O-N 3.47Å; K173-R175 VanDerWaalsContact O-N 3.17Å; R175-S177 PolarHBondContact O-N 3.26Å
176R78.1Confident75Confident245 Ų245139.4 Ų139.493%0.92569%0.691SS**PPolyproline II helixtrans-52.3121.8177-72.6-177-178.4127.3-0.5108.2P174 R178P174-R176 PolarHBondContact O-N 3.45Å; P174-R176 VanDerWaalsContact O-N 3.17Å; R176-R178 PolarHBondContact O-N 3.42Å
177S79.5Confident78Confident112 Ų112140.7 Ų140.778%0.78369%0.688SS**PPolyproline II helixtrans-55.7139.7176.9-172.80000109.2R175 T179R175-S177 PolarHBondContact O-N 3.26Å; S177-T179 PolarHBondContact O-N 3.47Å
178R88.6Confident80.6Confident228 Ų228136.8 Ų136.886%0.8666%0.664SS**PPolyproline II helixtrans-70.6126.4177.6-73.5-179.5177165.6-0.8108.4R176R176-R178 PolarHBondContact O-N 3.42Å
179T86.9Confident83.3Confident95 Ų95131.2 Ų131.258%0.58363%0.63SS**PPolyproline II helixtrans-72.1133.8171-42.90000109.8S177S177-T179 PolarHBondContact O-N 3.47Å
180I94.1Very high85.6Confident156 Ų156128.1 Ų128.180%0.861%0.606SS**PPolyproline II helixtrans-103.1130170.6-55.2179.6000107.2
181F97.3Very high87.5Confident47 Ų47123.2 Ų123.221%0.20659%0.591CS.*PPolyproline II helixtrans-84.6144.6175.8-59.4-54000110.2Q185 L186 L213 Q217 W221F181-Q185 HydrophobicContact CB-CB 4.3Å; F181-L186 HydrophobicContact CB-CD2 3.89Å; F181-L186 HydrophobicContact CB-CG 4.02Å; F181-L186 HydrophobicContact CD2-CD2 4.12Å; F181-L186 HydrophobicContact CG-CD2 4.45Å; F181-L213 HydrophobicContact CD1-CD1 4.36Å; F181-L213 HydrophobicContact CD1-CD2 3.79Å; F181-L213 HydrophobicContact CE1-CD1 4.34Å; F181-L213 HydrophobicContact CE1-CD2 3.81Å; F181-Q217 HydrophobicContact CE1-CB 4.09Å; F181-Q217 HydrophobicContact CE1-CG 4.21Å; F181-Q217 HydrophobicContact CZ-CB 4.06Å; F181-Q217 HydrophobicContact CZ-CG 4.31Å; F181-W221 AromaticContact CD2-CD1 3.86Å; F181-W221 HydrophobicContact CE2-CB 4.47Å; F181-W221 AromaticContact CE2-CD1 3.7Å; F181-W221 HydrophobicContact CE2-CG 4.47Å
182T98.1Very high89.4Confident79 Ų79118.7 Ų118.749%0.48557%0.565SS.*PPolyproline II helixtrans-70.3161.2173.969.10000110.8L184 Q185 L186T182-L184 VanDerWaalsContact C-N 3.31Å; T182-L184 PolarHBondContact O-N 3.47Å; T182-Q185 WeakPolarHBondContact O-CB 3.37Å; T182-Q185 PolarHBondContact O-N 3.23Å; T182-Q185 VanDerWaalsContact O-N 3.17Å; T182-Q185 VanDerWaalsContact OG1-CG 3.26Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.28Å; T182-Q185 PolarHBondContact OG1-N 2.89Å; T182-L186 WeakPolarHBondContact O-CG 3.49Å; T182-L186 PolarHBondContact O-N 2.91Å
183E97.5Very high91Very high168 Ų168109.5 Ų109.579%0.78553%0.525SS*.Hα-helixtrans-61.3-40.7179-174.8147.8-152.500112.4Q185 L186 M187E183-Q185 VanDerWaalsContact C-N 3.32Å; E183-Q185 PolarHBondContact O-N 2.86Å; E183-L186 PolarHBondContact O-N 3.29Å; E183-M187 WeakPolarHBondContact O-CB 3.36Å; E183-M187 PolarHBondContact O-N 2.98Å
184L97.8Very high92.6Very high124 Ų124106.5 Ų106.565%0.64951%0.514SS*.Hα-helixtrans-59.3-42174.7-176.662.8000112.1T182 M187 G188T182-L184 VanDerWaalsContact C-N 3.31Å; T182-L184 PolarHBondContact O-N 3.47Å; L184-M187 HydrophobicContact CD1-CE 3.9Å; L184-M187 PolarHBondContact O-N 3.16Å; L184-G188 PolarHBondContact O-N 2.85Å
185Q98.3Very high94Very high35 Ų35108.9 Ų108.916%0.16451%0.512CS..Hα-helixtrans-64.1-45.6176.4-73.3171.8-2000111.6F181 T182 E183 M187 G188 L189 L211 L213F181-Q185 HydrophobicContact CB-CB 4.3Å; T182-Q185 WeakPolarHBondContact O-CB 3.37Å; T182-Q185 PolarHBondContact O-N 3.23Å; T182-Q185 VanDerWaalsContact O-N 3.17Å; T182-Q185 VanDerWaalsContact OG1-CG 3.26Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.28Å; T182-Q185 PolarHBondContact OG1-N 2.89Å; E183-Q185 VanDerWaalsContact C-N 3.32Å; E183-Q185 PolarHBondContact O-N 2.86Å; Q185-M187 VanDerWaalsContact C-N 3.34Å; Q185-M187 PolarHBondContact O-N 3.22Å; Q185-G188 PolarHBondContact O-N 3.39Å; Q185-L189 WeakPolarHBondContact O-CB 3.36Å; Q185-L189 WeakPolarHBondContact O-CD1 3.37Å; Q185-L189 WeakPolarHBondContact O-CG 3.44Å; Q185-L189 PolarHBondContact O-N 3.08Å; Q185-L211 HydrophobicContact CG-CB 4.45Å; Q185-L211 PolarHBondContact NE2-O 2.91Å; Q185-L213 HydrophobicContact CG-CD2 4.49Å
186L98.3Very high95.1Very high72 Ų72100.2 Ų100.238%0.37748%0.482SS..Hα-helixtrans-61.3-42.9178-68.4175.1000111.8F181 T182 E183 L189 E190F181-L186 HydrophobicContact CB-CD2 3.89Å; F181-L186 HydrophobicContact CB-CG 4.02Å; F181-L186 HydrophobicContact CD2-CD2 4.12Å; F181-L186 HydrophobicContact CG-CD2 4.45Å; T182-L186 WeakPolarHBondContact O-CG 3.49Å; T182-L186 PolarHBondContact O-N 2.91Å; E183-L186 PolarHBondContact O-N 3.29Å; L186-L189 PolarHBondContact O-N 3.37Å; L186-E190 WeakPolarHBondContact O-CB 3.38Å; L186-E190 PolarHBondContact O-N 3.3Å
187M98.3Very high96Very high122 Ų12291.2 Ų91.260%0.60145%0.449SS*.Hα-helixtrans-63.2-43.9177.6-173.3171.661.100111.7E183 L184 Q185 E190 K191E183-M187 WeakPolarHBondContact O-CB 3.36Å; E183-M187 PolarHBondContact O-N 2.98Å; L184-M187 HydrophobicContact CD1-CE 3.9Å; L184-M187 PolarHBondContact O-N 3.16Å; Q185-M187 VanDerWaalsContact C-N 3.34Å; Q185-M187 PolarHBondContact O-N 3.22Å; M187-E190 PolarHBondContact O-N 2.87Å; M187-K191 VanDerWaalsContact O-CB 3.3Å; M187-K191 WeakPolarHBondContact O-CB 3.35Å; M187-K191 PolarHBondContact O-N 3.26Å
188G98.1Very high96.9Very high20 Ų2092.8 Ų92.821%0.20644%0.439CS..Hα-helixtrans-62.3-43.9175.600000113.1L184 Q185 K191 K192L184-G188 PolarHBondContact O-N 2.85Å; Q185-G188 PolarHBondContact O-N 3.39Å; G188-K191 PolarHBondContact O-N 3.01Å; G188-K192 PolarHBondContact O-N 3.07Å; G188-K192 VanDerWaalsContact O-N 3.11Å
189L98.6Very high97.3Very high0 Ų082.9 Ų82.90%040%0.403CS..Hα-helixtrans-61.4-45.5175.5-71.5164.7000111.6Q185 L186 K192 F193 L207 L211 L213 V218 W221 Y222Q185-L189 WeakPolarHBondContact O-CB 3.36Å; Q185-L189 WeakPolarHBondContact O-CD1 3.37Å; Q185-L189 WeakPolarHBondContact O-CG 3.44Å; Q185-L189 PolarHBondContact O-N 3.08Å; L186-L189 PolarHBondContact O-N 3.37Å; L189-K192 PolarHBondContact O-N 3.2Å; L189-F193 VanDerWaalsContact O-CB 3.26Å; L189-F193 WeakPolarHBondContact O-CB 3.48Å; L189-F193 PolarHBondContact O-N 3.33Å; L189-L207 HydrophobicContact CD2-CD2 3.99Å; L189-L207 HydrophobicContact CD2-CG 4.49Å; L189-L211 HydrophobicContact CD2-CD1 3.93Å; L189-L211 HydrophobicContact CG-CD1 3.71Å; L189-L213 HydrophobicContact CD1-CD1 4.01Å; L189-L213 HydrophobicContact CD2-CD1 4.42Å; L189-L213 HydrophobicContact CG-CD1 4.48Å; L189-V218 HydrophobicContact CD2-CG1 4.34Å; L189-V218 HydrophobicContact CD2-CG2 4.4Å; L189-W221 HydrophobicContact CB-CD2 3.97Å; L189-W221 HydrophobicContact CB-CE3 3.94Å; L189-W221 HydrophobicContact CB-CH2 3.69Å; L189-W221 HydrophobicContact CB-CZ2 3.7Å; L189-W221 HydrophobicContact CB-CZ3 3.81Å; L189-W221 HydrophobicContact CD1-CB 4.48Å; L189-W221 HydrophobicContact CD1-CD2 3.83Å; L189-W221 HydrophobicContact CD1-CE3 4.47Å; L189-W221 HydrophobicContact CD1-CG 3.8Å; L189-W221 HydrophobicContact CD2-CD2 4.34Å; L189-W221 HydrophobicContact CD2-CE3 4.23Å; L189-W221 HydrophobicContact CG-CD2 4.27Å; L189-W221 HydrophobicContact CG-CE3 4.44Å; L189-Y222 HydrophobicContact CD2-CE2 4.3Å
190E98.4Very high97.9Very high46 Ų4680.7 Ų80.722%0.21539%0.392CS..Hα-helixtrans-66.2-44.2179.5-169.760.5-145.600111.8L186 M187 K192 F193 Q194 R225L186-E190 WeakPolarHBondContact O-CB 3.38Å; L186-E190 PolarHBondContact O-N 3.3Å; M187-E190 PolarHBondContact O-N 2.87Å; E190-K192 VanDerWaalsContact C-N 3.33Å; E190-K192 PolarHBondContact O-N 3.17Å; E190-F193 CarbonylContact O-C 3.47Å; E190-F193 WeakPolarHBondContact O-CB 3.47Å; E190-F193 PolarHBondContact O-N 2.85Å; E190-F193 VanDerWaalsContact O-N 3.1Å; E190-Q194 WeakPolarHBondContact O-CG 3.49Å; E190-Q194 PolarHBondContact O-N 3.03Å; E190-R225 VanDerWaalsContact CD-NH2 3.3Å; E190-R225 IonicContact OE1-CZ 3.15Å; E190-R225 IonicContact OE1-NE 3.77Å; E190-R225 PolarHBondContact OE1-NE 3.34Å; E190-R225 IonicContact OE1-NH2 3.91Å; E190-R225 PolarHBondContact OE1-NH2 3.5Å; E190-R225 IonicContact OE2-CZ 2.54Å; E190-R225 IonicContact OE2-NE 2.72Å; E190-R225 PolarHBondContact OE2-NE 3.19Å; E190-R225 IonicContact OE2-NH2 3.42Å; E190-R225 PolarHBondContact OE2-NH2 3.4Å
191K98.3Very high98.1Very high132 Ų13277.4 Ų77.457%0.57438%0.379SS*.Hα-helixtrans-57.5-44.9177.1-176.5178.3-177.1176.60111.7M187 G188M187-K191 VanDerWaalsContact O-CB 3.3Å; M187-K191 WeakPolarHBondContact O-CB 3.35Å; M187-K191 PolarHBondContact O-N 3.26Å; G188-K191 PolarHBondContact O-N 3.01Å
192K98.2Very high98.1Very high68 Ų6878.8 Ų78.830%0.29639%0.392SS..Hα-helixtrans-70.1-37.7175.9-170.972.6172.2-175.70111.1G188 L189 E190 Q194 K195 Q196 L199 L207 Y222G188-K192 PolarHBondContact O-N 3.07Å; G188-K192 VanDerWaalsContact O-N 3.11Å; L189-K192 PolarHBondContact O-N 3.2Å; E190-K192 VanDerWaalsContact C-N 3.33Å; E190-K192 PolarHBondContact O-N 3.17Å; K192-Q194 VanDerWaalsContact C-N 3.34Å; K192-Q194 PolarHBondContact O-N 3.42Å; K192-K195 PolarHBondContact O-N 3.01Å; K192-Q196 PolarHBondContact O-N 3.36Å; K192-L199 HydrophobicContact CG-CD2 4.02Å; K192-L207 HydrophobicContact CB-CD1 4.16Å; K192-L207 HydrophobicContact CB-CD2 4.15Å; K192-L207 HydrophobicContact CG-CD1 4.36Å; K192-L207 HydrophobicContact CG-CD2 4.03Å; K192-Y222 WeakPolarHBondContact CG-OH 3.4Å
193F98.4Very high98.1Very high1 Ų177 Ų770%0.00438%0.38CS..Hα-helixtrans-64.2-35.2177.9-175.8-100.2000113.3L189 E190 K195 Q196 K197 W221 Y222 R225 R226 W229L189-F193 VanDerWaalsContact O-CB 3.26Å; L189-F193 WeakPolarHBondContact O-CB 3.48Å; L189-F193 PolarHBondContact O-N 3.33Å; E190-F193 CarbonylContact O-C 3.47Å; E190-F193 WeakPolarHBondContact O-CB 3.47Å; E190-F193 PolarHBondContact O-N 2.85Å; E190-F193 VanDerWaalsContact O-N 3.1Å; F193-K195 VanDerWaalsContact C-N 3.3Å; F193-K195 PolarHBondContact O-N 3.04Å; F193-Q196 CarbonylContact O-C 3.49Å; F193-Q196 PolarHBondContact O-N 3.32Å; F193-K197 HydrophobicContact CD1-CD 4.08Å; F193-K197 HydrophobicContact CD2-CD 4.39Å; F193-K197 HydrophobicContact CE1-CD 3.57Å; F193-K197 HydrophobicContact CE2-CB 4.22Å; F193-K197 HydrophobicContact CE2-CD 3.92Å; F193-K197 HydrophobicContact CG-CD 4.46Å; F193-K197 HydrophobicContact CZ-CB 4.43Å; F193-K197 HydrophobicContact CZ-CD 3.48Å; F193-K197 VanDerWaalsContact CZ-CD 3.48Å; F193-K197 VanDerWaalsContact O-CD 3.31Å; F193-K197 WeakPolarHBondContact O-CD 3.31Å; F193-K197 WeakPolarHBondContact O-CE 3.33Å; F193-K197 PolarHBondContact O-NZ 3.44Å; F193-W221 HydrophobicContact CB-CH2 4.27Å; F193-W221 HydrophobicContact CB-CZ3 4.02Å; F193-W221 HydrophobicContact CD2-CZ3 4.39Å; F193-W221 HydrophobicContact CG-CZ3 4.29Å; F193-Y222 HydrophobicContact CB-CE1 4.41Å; F193-Y222 AromaticContact CD2-CD1 3.88Å; F193-Y222 HydrophobicContact CD2-CD1 3.88Å; F193-Y222 AromaticContact CD2-CE1 3.65Å; F193-Y222 HydrophobicContact CD2-CE1 3.65Å; F193-Y222 HydrophobicContact CE2-CD1 4.37Å; F193-Y222 HydrophobicContact CE2-CE1 4.48Å; F193-Y222 PolarHBondContact N-OH 3.24Å; F193-R225 HydrophobicContact CD1-CG 3.63Å; F193-R225 HydrophobicContact CD2-CB 4.38Å; F193-R225 HydrophobicContact CD2-CG 3.85Å; F193-R225 HydrophobicContact CE1-CG 3.55Å; F193-R225 HydrophobicContact CE2-CB 4.2Å; F193-R225 HydrophobicContact CE2-CG 3.78Å; F193-R225 HydrophobicContact CG-CG 3.79Å; F193-R225 HydrophobicContact CZ-CB 4.37Å; F193-R225 HydrophobicContact CZ-CG 3.63Å; F193-R226 HydrophobicContact CE2-CG 3.82Å; F193-R226 HydrophobicContact CZ-CG 4.19Å; F193-W229 HydrophobicContact CE1-CB 4.33Å; F193-W229 HydrophobicContact CE1-CG 4.43Å; F193-W229 HydrophobicContact CZ-CB 4.16Å; F193-W229 HydrophobicContact CZ-CG 4.36Å
194Q97.8Very high98.2Very high128 Ų12871.6 Ų71.660%0.59835%0.352SS*.Hα-helixtrans-58.1-44.8174.7-75.9174.3-4.900111.4E190 K192 K197E190-Q194 WeakPolarHBondContact O-CG 3.49Å; E190-Q194 PolarHBondContact O-N 3.03Å; K192-Q194 VanDerWaalsContact C-N 3.34Å; K192-Q194 PolarHBondContact O-N 3.42Å; Q194-K197 PolarHBondContact O-NZ 3.06Å
195K97.8Very high98.2Very high169 Ų16968.6 Ų68.674%0.73534%0.337SS*.Hα-helixtrans-73.4-40178.6-59.4-177.9-179.8-1690113.1K192 F193K192-K195 PolarHBondContact O-N 3.01Å; F193-K195 VanDerWaalsContact C-N 3.3Å; F193-K195 PolarHBondContact O-N 3.04Å
196Q97.9Very high98.2Very high57 Ų5771.2 Ų71.227%0.26635%0.352SS..  trans-143.1109.1-171.3-175.7178.6-6.700110.6K192 F193 Y198 L199 D203 Y222K192-Q196 PolarHBondContact O-N 3.36Å; F193-Q196 CarbonylContact O-C 3.49Å; F193-Q196 PolarHBondContact O-N 3.32Å; Q196-Y198 VanDerWaalsContact C-N 3.3Å; Q196-Y198 WeakPolarHBondContact CG-O 3.38Å; Q196-Y198 PolarHBondContact NE2-O 3.39Å; Q196-Y198 PolarHBondContact O-N 2.85Å; Q196-L199 HydrophobicContact CG-CD2 4.2Å; Q196-D203 PolarHBondContact NE2-OD2 3.08Å; Q196-Y222 WeakPolarHBondContact O-CE1 3.45Å
197K97.7Very high98.2Very high57 Ų5768.6 Ų68.625%0.24834%0.338CS..SBendtrans-73-21.3-177.8-53.4-63.3166.2-157.70113.5F193 Q194 R226F193-K197 HydrophobicContact CD1-CD 4.08Å; F193-K197 HydrophobicContact CD2-CD 4.39Å; F193-K197 HydrophobicContact CE1-CD 3.57Å; F193-K197 HydrophobicContact CE2-CB 4.22Å; F193-K197 HydrophobicContact CE2-CD 3.92Å; F193-K197 HydrophobicContact CG-CD 4.46Å; F193-K197 HydrophobicContact CZ-CB 4.43Å; F193-K197 HydrophobicContact CZ-CD 3.48Å; F193-K197 VanDerWaalsContact CZ-CD 3.48Å; F193-K197 VanDerWaalsContact O-CD 3.31Å; F193-K197 WeakPolarHBondContact O-CD 3.31Å; F193-K197 WeakPolarHBondContact O-CE 3.33Å; F193-K197 PolarHBondContact O-NZ 3.44Å; Q194-K197 PolarHBondContact O-NZ 3.06Å; K197-R226 WeakPolarHBondContact O-CD 3.48Å
198Y98.2Very high98.2Very high144 Ų14463.1 Ų63.157%0.56531%0.312SS*.SBendtrans-132.8116.6-177.6-63.7-108.3000109.3Q196Q196-Y198 VanDerWaalsContact C-N 3.3Å; Q196-Y198 WeakPolarHBondContact CG-O 3.38Å; Q196-Y198 PolarHBondContact NE2-O 3.39Å; Q196-Y198 PolarHBondContact O-N 2.85Å
199L98.1Very high98.2Very high21 Ų2169.2 Ų69.211%0.1134%0.335CS..  trans-88.2137.7176.8-63.1175.2000111.6K192 Q196 D203 R204 L207 V218 Y222K192-L199 HydrophobicContact CG-CD2 4.02Å; Q196-L199 HydrophobicContact CG-CD2 4.2Å; L199-D203 HydrophobicContact CB-CB 4.2Å; L199-D203 HydrophobicContact CD2-CB 3.88Å; L199-R204 HydrophobicContact CB-CB 4.42Å; L199-L207 HydrophobicContact CD1-CD2 3.68Å; L199-V218 HydrophobicContact CD1-CG1 3.92Å; L199-Y222 HydrophobicContact CD1-CD1 4.21Å; L199-Y222 HydrophobicContact CD1-CD2 3.85Å; L199-Y222 HydrophobicContact CD1-CE1 3.74Å; L199-Y222 HydrophobicContact CD1-CE2 3.35Å; L199-Y222 HydrophobicContact CD1-CG 4.26Å; L199-Y222 HydrophobicContact CD2-CE1 4.16Å; L199-Y222 HydrophobicContact CG-CD1 4.04Å; L199-Y222 HydrophobicContact CG-CE1 3.48Å; L199-Y222 VanDerWaalsContact CG-CE1 3.48Å; L199-Y222 HydrophobicContact CG-CE2 4.08Å
200S98.2Very high98.2Very high49 Ų4974 Ų7434%0.34337%0.368SS..  trans-69.6170.2163.872.70000110.6P202 D203 R204S200-P202 WeakPolarHBondContact OG-CD 3.31Å; S200-P202 WeakPolarHBondContact OG-CG 3.38Å; S200-D203 WeakPolarHBondContact CB-OD2 3.43Å; S200-D203 PolarHBondContact N-OD2 3.1Å; S200-D203 PolarHBondContact OG-N 3.43Å; S200-D203 PolarHBondContact OG-OD2 3.19Å; S200-R204 WeakPolarHBondContact O-CB 3.35Å; S200-R204 PolarHBondContact O-N 3.46Å; S200-R204 VanDerWaalsContact O-N 3.12Å
201T98.1Very high98.2Very high87 Ų8773.2 Ų73.253%0.53437%0.366SS..Hα-helixtrans-58.6-49.5175-54.30000112.9R204 L205T201-R204 WeakPolarHBondContact O-CB 3.45Å; T201-R204 PolarHBondContact O-N 3.23Å; T201-L205 PolarHBondContact O-N 3.43Å
202P98.3Very high98.2Very high75 Ų7570.1 Ų70.149%0.48737%0.371SS..Hα-helixtrans-63.7-45177.323.2-32.6000112.6S200 R204 L205 D206S200-P202 WeakPolarHBondContact OG-CD 3.31Å; S200-P202 WeakPolarHBondContact OG-CG 3.38Å; P202-R204 PolarHBondContact O-N 2.9Å; P202-R204 VanDerWaalsContact O-N 3.08Å; P202-L205 WeakPolarHBondContact O-CA 3.15Å; P202-L205 WeakPolarHBondContact O-CB 3.45Å; P202-L205 PolarHBondContact O-N 3.18Å; P202-D206 PolarHBondContact O-N 2.99Å; P202-D206 VanDerWaalsContact O-N 3.08Å
203D98.3Very high98.2Very high42 Ų4267.7 Ų67.723%0.22536%0.362CS..Hα-helixtrans-58.2-33.1178.4-64.3-45.2000112.9Q196 L199 S200 L207Q196-D203 PolarHBondContact NE2-OD2 3.08Å; L199-D203 HydrophobicContact CB-CB 4.2Å; L199-D203 HydrophobicContact CD2-CB 3.88Å; S200-D203 WeakPolarHBondContact CB-OD2 3.43Å; S200-D203 PolarHBondContact N-OD2 3.1Å; S200-D203 PolarHBondContact OG-N 3.43Å; S200-D203 PolarHBondContact OG-OD2 3.19Å; D203-L207 WeakPolarHBondContact O-CB 2.81Å; D203-L207 PolarHBondContact O-N 3.03Å; D203-L207 VanDerWaalsContact O-N 3.13Å
204R98.6Very high98.1Very high54 Ų5471.2 Ų71.220%0.20438%0.383CS..Hα-helixtrans-70.9-38.4177.4-172.1-171.1-56.1157.59.8111.7L199 S200 T201 P202 A208 Q215 V218L199-R204 HydrophobicContact CB-CB 4.42Å; S200-R204 WeakPolarHBondContact O-CB 3.35Å; S200-R204 PolarHBondContact O-N 3.46Å; S200-R204 VanDerWaalsContact O-N 3.12Å; T201-R204 WeakPolarHBondContact O-CB 3.45Å; T201-R204 PolarHBondContact O-N 3.23Å; P202-R204 PolarHBondContact O-N 2.9Å; P202-R204 VanDerWaalsContact O-N 3.08Å; R204-A208 WeakPolarHBondContact O-CB 3.36Å; R204-A208 PolarHBondContact O-N 3.38Å; R204-Q215 WeakPolarHBondContact CD-O 3.3Å; R204-Q215 HydrophobicContact CG-CB 4.45Å; R204-V218 HydrophobicContact CG-CB 4.02Å; R204-V218 HydrophobicContact CG-CG1 3.8Å
205L98.6Very high98.2Very high62 Ų6269.2 Ų69.233%0.32537%0.374SS..Hα-helixtrans-61.2-49.9175.7-77.5163.5000110.1T201 P202 L207 A208 Q209 Q215T201-L205 PolarHBondContact O-N 3.43Å; P202-L205 WeakPolarHBondContact O-CA 3.15Å; P202-L205 WeakPolarHBondContact O-CB 3.45Å; P202-L205 PolarHBondContact O-N 3.18Å; L205-L207 PolarHBondContact O-N 3.49Å; L205-A208 WeakPolarHBondContact O-CB 3.4Å; L205-A208 PolarHBondContact O-N 3.49Å; L205-Q209 WeakPolarHBondContact O-CG 3.3Å; L205-Q209 PolarHBondContact O-N 3.45Å; L205-Q215 HydrophobicContact CD2-CG 3.73Å; L205-Q215 HydrophobicContact CG-CG 4.31Å
206D98.4Very high98.1Very high90 Ų9066.7 Ų66.748%0.48137%0.368SS..Hα-helixtrans-63-42.8-177.6-59.6-13000111.6P202 Q209 S210P202-D206 PolarHBondContact O-N 2.99Å; P202-D206 VanDerWaalsContact O-N 3.08Å; D206-Q209 PolarHBondContact O-N 3.35Å; D206-S210 WeakPolarHBondContact O-CB 3.42Å; D206-S210 PolarHBondContact O-N 3.36Å; D206-S210 PolarHBondContact O-OG 3.12Å
207L98.5Very high98.1Very high17 Ų1766.2 Ų66.29%0.08937%0.366CS..Hα-helixtrans-66.7-38.7177.2-174.962.4000112.2L189 K192 L199 D203 L205 S210 L211 V218 Y222L189-L207 HydrophobicContact CD2-CD2 3.99Å; L189-L207 HydrophobicContact CD2-CG 4.49Å; K192-L207 HydrophobicContact CB-CD1 4.16Å; K192-L207 HydrophobicContact CB-CD2 4.15Å; K192-L207 HydrophobicContact CG-CD1 4.36Å; K192-L207 HydrophobicContact CG-CD2 4.03Å; L199-L207 HydrophobicContact CD1-CD2 3.68Å; D203-L207 WeakPolarHBondContact O-CB 2.81Å; D203-L207 PolarHBondContact O-N 3.03Å; D203-L207 VanDerWaalsContact O-N 3.13Å; L205-L207 PolarHBondContact O-N 3.49Å; L207-S210 PolarHBondContact O-N 3.42Å; L207-L211 HydrophobicContact CD1-CD1 3.7Å; L207-L211 HydrophobicContact CD1-CG 4.13Å; L207-L211 HydrophobicContact CG-CD1 4.08Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.31Å; L207-L211 VanDerWaalsContact O-N 3.16Å; L207-V218 HydrophobicContact CD2-CG1 3.89Å; L207-Y222 HydrophobicContact CD2-CE2 3.8Å
208A98.4Very high98.2Very high6 Ų663.5 Ų63.55%0.0535%0.354CS..Hα-helixtrans-62.7-47.4177.300000110.9R204 L205 L211 G212 L213 Q215 V218R204-A208 WeakPolarHBondContact O-CB 3.36Å; R204-A208 PolarHBondContact O-N 3.38Å; L205-A208 WeakPolarHBondContact O-CB 3.4Å; L205-A208 PolarHBondContact O-N 3.49Å; A208-L211 PolarHBondContact O-N 3.22Å; A208-G212 PolarHBondContact O-N 3.42Å; A208-L213 CarbonylContact C-O 3.6Å; A208-L213 VanDerWaalsContact CB-O 3.3Å; A208-L213 WeakPolarHBondContact CB-O 3.36Å; A208-L213 PolarHBondContact O-N 2.92Å; A208-Q215 HydrophobicContact CB-CG 4.43Å; A208-V218 HydrophobicContact CB-CG2 3.97Å
209Q98.4Very high98.2Very high149 Ų14960.9 Ų60.970%0.69635%0.345SS*.Hα-helixtrans-60.6-47.2175.7-72.3177.6-16.700111.6L205 D206 L211 G212L205-Q209 WeakPolarHBondContact O-CG 3.3Å; L205-Q209 PolarHBondContact O-N 3.45Å; D206-Q209 PolarHBondContact O-N 3.35Å; Q209-L211 VanDerWaalsContact C-N 3.25Å; Q209-L211 PolarHBondContact O-N 3.34Å; Q209-G212 PolarHBondContact O-N 3.45Å
210S98.1Very high98.2Very high99 Ų9962.6 Ų62.669%0.69236%0.357SS*.Hα-helixtrans-61.9-30.5-178-58.80000113.6D206 L207D206-S210 WeakPolarHBondContact O-CB 3.42Å; D206-S210 PolarHBondContact O-N 3.36Å; D206-S210 PolarHBondContact O-OG 3.12Å; L207-S210 PolarHBondContact O-N 3.42Å
211L97.7Very high98.2Very high30 Ų3061.8 Ų61.816%0.15735%0.346CS..Hα-helixtrans-105.11.3-176.5-60.8-179.4000113.9Q185 L189 L207 A208 Q209 L213Q185-L211 HydrophobicContact CG-CB 4.45Å; Q185-L211 PolarHBondContact NE2-O 2.91Å; L189-L211 HydrophobicContact CD2-CD1 3.93Å; L189-L211 HydrophobicContact CG-CD1 3.71Å; L207-L211 HydrophobicContact CD1-CD1 3.7Å; L207-L211 HydrophobicContact CD1-CG 4.13Å; L207-L211 HydrophobicContact CG-CD1 4.08Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.31Å; L207-L211 VanDerWaalsContact O-N 3.16Å; A208-L211 PolarHBondContact O-N 3.22Å; Q209-L211 VanDerWaalsContact C-N 3.25Å; Q209-L211 PolarHBondContact O-N 3.34Å; L211-L213 VanDerWaalsContact C-N 3.28Å; L211-L213 HydrophobicContact CB-CD1 4.14Å; L211-L213 HydrophobicContact CB-CG 4.08Å; L211-L213 HydrophobicContact CD1-CD1 4.45Å; L211-L213 PolarHBondContact O-N 3.01Å
212G97.9Very high98.2Very high67 Ų6758 Ų5869%0.69132%0.322SS*.THydrogen-bonded Turntrans62.434.2-174.700000113.1A208 Q209A208-G212 PolarHBondContact O-N 3.42Å; Q209-G212 PolarHBondContact O-N 3.45Å
213L97.8Very high98.2Very high18 Ų1858.2 Ų58.29%0.09432%0.317CS..  trans-110.2161.2179.8-64.9-179.7000110.9F181 Q185 L189 A208 L211 V218F181-L213 HydrophobicContact CD1-CD1 4.36Å; F181-L213 HydrophobicContact CD1-CD2 3.79Å; F181-L213 HydrophobicContact CE1-CD1 4.34Å; F181-L213 HydrophobicContact CE1-CD2 3.81Å; Q185-L213 HydrophobicContact CG-CD2 4.49Å; L189-L213 HydrophobicContact CD1-CD1 4.01Å; L189-L213 HydrophobicContact CD2-CD1 4.42Å; L189-L213 HydrophobicContact CG-CD1 4.48Å; A208-L213 CarbonylContact C-O 3.6Å; A208-L213 VanDerWaalsContact CB-O 3.3Å; A208-L213 WeakPolarHBondContact CB-O 3.36Å; A208-L213 PolarHBondContact O-N 2.92Å; L211-L213 VanDerWaalsContact C-N 3.28Å; L211-L213 HydrophobicContact CB-CD1 4.14Å; L211-L213 HydrophobicContact CB-CG 4.08Å; L211-L213 HydrophobicContact CD1-CD1 4.45Å; L211-L213 PolarHBondContact O-N 3.01Å; L213-V218 HydrophobicContact CB-CG2 4.07Å; L213-V218 HydrophobicContact CD1-CG2 4.36Å
214T98.2Very high98.1Very high75 Ų7561.1 Ų61.146%0.4633%0.332SS..  trans-81.6151.7169.164.30000111L216 Q217 V218T214-L216 PolarHBondContact O-N 2.8Å; T214-L216 VanDerWaalsContact O-N 3.14Å; T214-Q217 WeakPolarHBondContact O-CB 3.5Å; T214-Q217 PolarHBondContact O-N 3.17Å; T214-Q217 VanDerWaalsContact OG1-CD 3.3Å; T214-Q217 VanDerWaalsContact OG1-CG 3.25Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.37Å; T214-Q217 PolarHBondContact OG1-N 3.2Å; T214-Q217 PolarHBondContact OG1-OE1 2.78Å; T214-V218 PolarHBondContact O-N 3.03Å; T214-V218 VanDerWaalsContact O-N 3.08Å
215Q98.1Very high98.1Very high86 Ų8660.9 Ų60.940%0.40233%0.331SS..Hα-helixtrans-53.4-36.4173.1-67.9178.162.500112.3R204 L205 A208 V218 K219R204-Q215 WeakPolarHBondContact CD-O 3.3Å; R204-Q215 HydrophobicContact CG-CB 4.45Å; L205-Q215 HydrophobicContact CD2-CG 3.73Å; L205-Q215 HydrophobicContact CG-CG 4.31Å; A208-Q215 HydrophobicContact CB-CG 4.43Å; Q215-V218 PolarHBondContact O-N 3.03Å; Q215-K219 VanDerWaalsContact O-CB 3.28Å; Q215-K219 WeakPolarHBondContact O-CB 3.39Å; Q215-K219 PolarHBondContact O-N 3.36Å
216L97.6Very high98.1Very high115 Ų11561.1 Ų61.160%0.60233%0.328SS*.Hα-helixtrans-65.3-44.5178179.160.2000111.5T214 V218 K219 T220T214-L216 PolarHBondContact O-N 2.8Å; T214-L216 VanDerWaalsContact O-N 3.14Å; L216-V218 PolarHBondContact O-N 3.15Å; L216-K219 WeakPolarHBondContact O-CB 3.35Å; L216-K219 PolarHBondContact O-N 3.4Å; L216-T220 WeakPolarHBondContact O-CB 3.44Å; L216-T220 PolarHBondContact O-N 3.47Å; L216-T220 PolarHBondContact O-OG1 3.03Å
217Q97.8Very high98Very high48 Ų4862.5 Ų62.522%0.22433%0.333CS..Hα-helixtrans-60.7-45.5176.8-75.6164.2-43.700111.4F181 T214 K219 T220 W221F181-Q217 HydrophobicContact CE1-CB 4.09Å; F181-Q217 HydrophobicContact CE1-CG 4.21Å; F181-Q217 HydrophobicContact CZ-CB 4.06Å; F181-Q217 HydrophobicContact CZ-CG 4.31Å; T214-Q217 WeakPolarHBondContact O-CB 3.5Å; T214-Q217 PolarHBondContact O-N 3.17Å; T214-Q217 VanDerWaalsContact OG1-CD 3.3Å; T214-Q217 VanDerWaalsContact OG1-CG 3.25Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.37Å; T214-Q217 PolarHBondContact OG1-N 3.2Å; T214-Q217 PolarHBondContact OG1-OE1 2.78Å; Q217-K219 PolarHBondContact O-N 3.04Å; Q217-T220 PolarHBondContact O-N 3Å; Q217-W221 WeakPolarHBondContact O-CB 3.25Å; Q217-W221 PolarHBondContact O-N 3.4Å
218V98.4Very high97.9Very high0 Ų067.7 Ų67.70%036%0.355CS..Hα-helixtrans-60.7-45.3175.3179.10000110.7L189 L199 R204 L207 A208 L213 T214 Q215 L216 T220 W221 Y222L189-V218 HydrophobicContact CD2-CG1 4.34Å; L189-V218 HydrophobicContact CD2-CG2 4.4Å; L199-V218 HydrophobicContact CD1-CG1 3.92Å; R204-V218 HydrophobicContact CG-CB 4.02Å; R204-V218 HydrophobicContact CG-CG1 3.8Å; L207-V218 HydrophobicContact CD2-CG1 3.89Å; A208-V218 HydrophobicContact CB-CG2 3.97Å; L213-V218 HydrophobicContact CB-CG2 4.07Å; L213-V218 HydrophobicContact CD1-CG2 4.36Å; T214-V218 PolarHBondContact O-N 3.03Å; T214-V218 VanDerWaalsContact O-N 3.08Å; Q215-V218 PolarHBondContact O-N 3.03Å; L216-V218 PolarHBondContact O-N 3.15Å; V218-T220 PolarHBondContact O-N 2.95Å; V218-W221 PolarHBondContact O-N 3.2Å; V218-Y222 HydrophobicContact CG1-CD2 3.89Å; V218-Y222 HydrophobicContact CG1-CE2 4.08Å; V218-Y222 WeakPolarHBondContact O-CB 3.3Å; V218-Y222 WeakPolarHBondContact O-CD2 3.39Å; V218-Y222 PolarHBondContact O-N 3.47Å
219K97.9Very high97.7Very high88 Ų8872.1 Ų72.138%0.38337%0.37SS..Hα-helixtrans-58-49.3177179.2-175.2176.7-177.30111.8Q215 L216 Q217 Y222 Q223Q215-K219 VanDerWaalsContact O-CB 3.28Å; Q215-K219 WeakPolarHBondContact O-CB 3.39Å; Q215-K219 PolarHBondContact O-N 3.36Å; L216-K219 WeakPolarHBondContact O-CB 3.35Å; L216-K219 PolarHBondContact O-N 3.4Å; Q217-K219 PolarHBondContact O-N 3.04Å; K219-Y222 PolarHBondContact O-N 3.25Å; K219-Q223 WeakPolarHBondContact O-CG 3.33Å; K219-Q223 PolarHBondContact O-N 3.15Å
220T98.1Very high97.5Very high58 Ų5870.8 Ų70.836%0.35636%0.362SS..Hα-helixtrans-65.3-42.6-179.8-63.80000111.2L216 Q217 V218 Y222 Q223 N224L216-T220 WeakPolarHBondContact O-CB 3.44Å; L216-T220 PolarHBondContact O-N 3.47Å; L216-T220 PolarHBondContact O-OG1 3.03Å; Q217-T220 PolarHBondContact O-N 3Å; V218-T220 PolarHBondContact O-N 2.95Å; T220-Y222 PolarHBondContact O-N 3.48Å; T220-Q223 PolarHBondContact O-N 3.09Å; T220-N224 VanDerWaalsContact O-CG 3.31Å; T220-N224 PolarHBondContact O-N 2.94Å; T220-N224 PolarHBondContact O-ND2 3.41Å
221W98.1Very high97.2Very high32 Ų3273.2 Ų73.212%0.12136%0.36CS..Hα-helixtrans-60.8-46.1176.1-170.2100000111.2F181 L189 F193 Q217 V218 Q223 N224 R225F181-W221 AromaticContact CD2-CD1 3.86Å; F181-W221 HydrophobicContact CE2-CB 4.47Å; F181-W221 AromaticContact CE2-CD1 3.7Å; F181-W221 HydrophobicContact CE2-CG 4.47Å; L189-W221 HydrophobicContact CB-CD2 3.97Å; L189-W221 HydrophobicContact CB-CE3 3.94Å; L189-W221 HydrophobicContact CB-CH2 3.69Å; L189-W221 HydrophobicContact CB-CZ2 3.7Å; L189-W221 HydrophobicContact CB-CZ3 3.81Å; L189-W221 HydrophobicContact CD1-CB 4.48Å; L189-W221 HydrophobicContact CD1-CD2 3.83Å; L189-W221 HydrophobicContact CD1-CE3 4.47Å; L189-W221 HydrophobicContact CD1-CG 3.8Å; L189-W221 HydrophobicContact CD2-CD2 4.34Å; L189-W221 HydrophobicContact CD2-CE3 4.23Å; L189-W221 HydrophobicContact CG-CD2 4.27Å; L189-W221 HydrophobicContact CG-CE3 4.44Å; F193-W221 HydrophobicContact CB-CH2 4.27Å; F193-W221 HydrophobicContact CB-CZ3 4.02Å; F193-W221 HydrophobicContact CD2-CZ3 4.39Å; F193-W221 HydrophobicContact CG-CZ3 4.29Å; Q217-W221 WeakPolarHBondContact O-CB 3.25Å; Q217-W221 PolarHBondContact O-N 3.4Å; V218-W221 PolarHBondContact O-N 3.2Å; W221-Q223 VanDerWaalsContact C-N 3.33Å; W221-Q223 PolarHBondContact O-N 3.46Å; W221-N224 PolarHBondContact O-N 3.26Å; W221-R225 HydrophobicContact CD2-CB 4.45Å; W221-R225 HydrophobicContact CE3-CB 3.93Å; W221-R225 HydrophobicContact CE3-CG 4.44Å; W221-R225 HydrophobicContact CH2-CB 4.03Å; W221-R225 HydrophobicContact CH2-CG 3.68Å; W221-R225 HydrophobicContact CZ2-CG 4.4Å; W221-R225 HydrophobicContact CZ3-CB 3.69Å; W221-R225 HydrophobicContact CZ3-CG 3.7Å; W221-R225 VanDerWaalsContact O-CB 3.31Å; W221-R225 WeakPolarHBondContact O-CB 3.39Å; W221-R225 PolarHBondContact O-N 3.45Å
222Y98.6Very high96.8Very high8 Ų874.7 Ų74.73%0.03137%0.367CS..Hα-helixtrans-64.2-33.8176.9-96.1-102.9000113.5L189 K192 F193 Q196 L199 L207 V218 K219 T220 R226L189-Y222 HydrophobicContact CD2-CE2 4.3Å; K192-Y222 WeakPolarHBondContact CG-OH 3.4Å; F193-Y222 HydrophobicContact CB-CE1 4.41Å; F193-Y222 AromaticContact CD2-CD1 3.88Å; F193-Y222 HydrophobicContact CD2-CD1 3.88Å; F193-Y222 AromaticContact CD2-CE1 3.65Å; F193-Y222 HydrophobicContact CD2-CE1 3.65Å; F193-Y222 HydrophobicContact CE2-CD1 4.37Å; F193-Y222 HydrophobicContact CE2-CE1 4.48Å; F193-Y222 PolarHBondContact N-OH 3.24Å; Q196-Y222 WeakPolarHBondContact O-CE1 3.45Å; L199-Y222 HydrophobicContact CD1-CD1 4.21Å; L199-Y222 HydrophobicContact CD1-CD2 3.85Å; L199-Y222 HydrophobicContact CD1-CE1 3.74Å; L199-Y222 HydrophobicContact CD1-CE2 3.35Å; L199-Y222 HydrophobicContact CD1-CG 4.26Å; L199-Y222 HydrophobicContact CD2-CE1 4.16Å; L199-Y222 HydrophobicContact CG-CD1 4.04Å; L199-Y222 HydrophobicContact CG-CE1 3.48Å; L199-Y222 VanDerWaalsContact CG-CE1 3.48Å; L199-Y222 HydrophobicContact CG-CE2 4.08Å; L207-Y222 HydrophobicContact CD2-CE2 3.8Å; V218-Y222 HydrophobicContact CG1-CD2 3.89Å; V218-Y222 HydrophobicContact CG1-CE2 4.08Å; V218-Y222 WeakPolarHBondContact O-CB 3.3Å; V218-Y222 WeakPolarHBondContact O-CD2 3.39Å; V218-Y222 PolarHBondContact O-N 3.47Å; K219-Y222 PolarHBondContact O-N 3.25Å; T220-Y222 PolarHBondContact O-N 3.48Å; Y222-R226 WeakPolarHBondContact O-CB 3.42Å; Y222-R226 VanDerWaalsContact O-CG 3.3Å; Y222-R226 WeakPolarHBondContact O-CG 3.22Å; Y222-R226 PolarHBondContact O-N 3.37Å; Y222-R226 VanDerWaalsContact O-N 3.08Å; Y222-R226 PolarHBondContact O-NE 3.26Å
223Q98.3Very high96.3Very high78 Ų7875.7 Ų75.736%0.36436%0.36SS..Hα-helixtrans-64.4-51.5172.1-75.4175.1-0.500110.8K219 T220 W221 R225 R226 M227K219-Q223 WeakPolarHBondContact O-CG 3.33Å; K219-Q223 PolarHBondContact O-N 3.15Å; T220-Q223 PolarHBondContact O-N 3.09Å; W221-Q223 VanDerWaalsContact C-N 3.33Å; W221-Q223 PolarHBondContact O-N 3.46Å; Q223-R225 VanDerWaalsContact C-N 3.32Å; Q223-R225 PolarHBondContact O-N 3.44Å; Q223-R226 PolarHBondContact O-N 2.92Å; Q223-M227 WeakPolarHBondContact O-CG 3.49Å; Q223-M227 PolarHBondContact O-N 2.87Å; Q223-M227 VanDerWaalsContact O-N 3.07Å
224N97.7Very high95.5Very high103 Ų10382.1 Ų82.155%0.55139%0.393SS*.Hα-helixtrans-60.4-43.2178.9-68.4-18.6000111.7T220 W221 M227 K228T220-N224 VanDerWaalsContact O-CG 3.31Å; T220-N224 PolarHBondContact O-N 2.94Å; T220-N224 PolarHBondContact O-ND2 3.41Å; W221-N224 PolarHBondContact O-N 3.26Å; N224-M227 PolarHBondContact O-N 2.73Å; N224-K228 PolarHBondContact O-N 3.05Å
225R97.9Very high94.6Very high49 Ų4986.5 Ų86.519%0.18541%0.406CS..Hα-helixtrans-63.8-43180-171.265.1-179.1127.5-5.9112E190 F193 W221 Q223 M227 K228 W229E190-R225 VanDerWaalsContact CD-NH2 3.3Å; E190-R225 IonicContact OE1-CZ 3.15Å; E190-R225 IonicContact OE1-NE 3.77Å; E190-R225 PolarHBondContact OE1-NE 3.34Å; E190-R225 IonicContact OE1-NH2 3.91Å; E190-R225 PolarHBondContact OE1-NH2 3.5Å; E190-R225 IonicContact OE2-CZ 2.54Å; E190-R225 IonicContact OE2-NE 2.72Å; E190-R225 PolarHBondContact OE2-NE 3.19Å; E190-R225 IonicContact OE2-NH2 3.42Å; E190-R225 PolarHBondContact OE2-NH2 3.4Å; F193-R225 HydrophobicContact CD1-CG 3.63Å; F193-R225 HydrophobicContact CD2-CB 4.38Å; F193-R225 HydrophobicContact CD2-CG 3.85Å; F193-R225 HydrophobicContact CE1-CG 3.55Å; F193-R225 HydrophobicContact CE2-CB 4.2Å; F193-R225 HydrophobicContact CE2-CG 3.78Å; F193-R225 HydrophobicContact CG-CG 3.79Å; F193-R225 HydrophobicContact CZ-CB 4.37Å; F193-R225 HydrophobicContact CZ-CG 3.63Å; W221-R225 HydrophobicContact CD2-CB 4.45Å; W221-R225 HydrophobicContact CE3-CB 3.93Å; W221-R225 HydrophobicContact CE3-CG 4.44Å; W221-R225 HydrophobicContact CH2-CB 4.03Å; W221-R225 HydrophobicContact CH2-CG 3.68Å; W221-R225 HydrophobicContact CZ2-CG 4.4Å; W221-R225 HydrophobicContact CZ3-CB 3.69Å; W221-R225 HydrophobicContact CZ3-CG 3.7Å; W221-R225 VanDerWaalsContact O-CB 3.31Å; W221-R225 WeakPolarHBondContact O-CB 3.39Å; W221-R225 PolarHBondContact O-N 3.45Å; Q223-R225 VanDerWaalsContact C-N 3.32Å; Q223-R225 PolarHBondContact O-N 3.44Å; R225-M227 PolarHBondContact O-N 2.68Å; R225-K228 PolarHBondContact O-N 3.21Å; R225-W229 WeakPolarHBondContact O-CB 3.33Å; R225-W229 PolarHBondContact O-N 3.28Å
226R97.8Very high92.8Very high67 Ų6785.1 Ų85.125%0.25342%0.415SS..Hα-helixtrans-63.8-38.5174.7-76.2-177.6-66.8164.43.6112.7F193 K197 Y222 Q223 W229 K230F193-R226 HydrophobicContact CE2-CG 3.82Å; F193-R226 HydrophobicContact CZ-CG 4.19Å; K197-R226 WeakPolarHBondContact O-CD 3.48Å; Y222-R226 WeakPolarHBondContact O-CB 3.42Å; Y222-R226 VanDerWaalsContact O-CG 3.3Å; Y222-R226 WeakPolarHBondContact O-CG 3.22Å; Y222-R226 PolarHBondContact O-N 3.37Å; Y222-R226 VanDerWaalsContact O-N 3.08Å; Y222-R226 PolarHBondContact O-NE 3.26Å; Q223-R226 PolarHBondContact O-N 2.92Å; R226-W229 PolarHBondContact O-N 3.22Å; R226-K230 WeakPolarHBondContact O-CB 3.43Å; R226-K230 PolarHBondContact O-N 3.41Å
227M97.4Very high91.1Very high120 Ų12083.4 Ų83.459%0.59143%0.425SS*.Hα-helixtrans-63.5-44.4175.8-67.3-57.1178.400111.5Q223 N224 R225 K231Q223-M227 WeakPolarHBondContact O-CG 3.49Å; Q223-M227 PolarHBondContact O-N 2.87Å; Q223-M227 VanDerWaalsContact O-N 3.07Å; N224-M227 PolarHBondContact O-N 2.73Å; R225-M227 PolarHBondContact O-N 2.68Å; M227-K231 PolarHBondContact O-N 3.44Å; M227-K231 VanDerWaalsContact O-N 3.08Å
228K95.2Very high88.5Confident125 Ų12589.3 Ų89.354%0.54345%0.452SS..Hα-helixtrans-59.7-53.2173.4-175.4175.8175.8-173.70110.1N224 R225 K230 K231 M232N224-K228 PolarHBondContact O-N 3.05Å; R225-K228 PolarHBondContact O-N 3.21Å; K228-K230 PolarHBondContact O-N 3.4Å; K228-K231 WeakPolarHBondContact O-CA 3.38Å; K228-K231 WeakPolarHBondContact O-CB 3.37Å; K228-K231 PolarHBondContact O-N 3.15Å; K228-M232 HydrophobicContact CG-CG 4.45Å; K228-M232 HydrophobicContact CG-SD 4.25Å; K228-M232 VanDerWaalsContact O-CG 3.3Å; K228-M232 WeakPolarHBondContact O-CG 3.4Å; K228-M232 PolarHBondContact O-N 2.97Å
229W95Very high86.2Confident99 Ų9995 Ų9538%0.37548%0.479SS..Hα-helixtrans-54.5-4918017665.2000112.5F193 R225 R226 K231 M232 V233F193-W229 HydrophobicContact CE1-CB 4.33Å; F193-W229 HydrophobicContact CE1-CG 4.43Å; F193-W229 HydrophobicContact CZ-CB 4.16Å; F193-W229 HydrophobicContact CZ-CG 4.36Å; R225-W229 WeakPolarHBondContact O-CB 3.33Å; R225-W229 PolarHBondContact O-N 3.28Å; R226-W229 PolarHBondContact O-N 3.22Å; W229-K231 VanDerWaalsContact C-N 3.3Å; W229-K231 PolarHBondContact O-N 3.09Å; W229-M232 PolarHBondContact O-N 3.16Å; W229-V233 HydrophobicContact CD2-CG2 4.25Å; W229-V233 HydrophobicContact CG-CG2 4.38Å; W229-V233 HydrophobicContact CZ2-CG2 4.13Å; W229-V233 WeakPolarHBondContact O-CG2 3.22Å; W229-V233 PolarHBondContact O-N 3.34Å
230K94.6Very high83.6Confident122 Ų12294.6 Ų94.653%0.5349%0.491SS..Hα-helixtrans-56.8-42.9175.7-175.9-179.866.2171.60112R226 K228 M232 V233 L234R226-K230 WeakPolarHBondContact O-CB 3.43Å; R226-K230 PolarHBondContact O-N 3.41Å; K228-K230 PolarHBondContact O-N 3.4Å; K230-M232 VanDerWaalsContact C-N 3.27Å; K230-M232 PolarHBondContact O-N 3.45Å; K230-V233 PolarHBondContact O-N 3.25Å; K230-L234 VanDerWaalsContact O-CB 3.25Å; K230-L234 WeakPolarHBondContact O-CB 3.36Å; K230-L234 PolarHBondContact O-N 3.39Å
231K91.9Very high81.8Confident149 Ų14997.4 Ų97.465%0.64851%0.511SS*.Hα-helixtrans-63.9-33.6177.4-175177.6177.7179.60112.1M227 K228 W229 K235M227-K231 PolarHBondContact O-N 3.44Å; M227-K231 VanDerWaalsContact O-N 3.08Å; K228-K231 WeakPolarHBondContact O-CA 3.38Å; K228-K231 WeakPolarHBondContact O-CB 3.37Å; K228-K231 PolarHBondContact O-N 3.15Å; W229-K231 VanDerWaalsContact C-N 3.3Å; W229-K231 PolarHBondContact O-N 3.09Å; K231-K235 WeakPolarHBondContact O-CB 3.32Å
232M89.2Confident79.7Confident61 Ų61101.8 Ų101.830%0.354%0.541SS..Hα-helixtrans-76.2-41.9177.9-57.6-159.473.600111.5K228 W229 K230 K235 E239K228-M232 HydrophobicContact CG-CG 4.45Å; K228-M232 HydrophobicContact CG-SD 4.25Å; K228-M232 VanDerWaalsContact O-CG 3.3Å; K228-M232 WeakPolarHBondContact O-CG 3.4Å; K228-M232 PolarHBondContact O-N 2.97Å; W229-M232 PolarHBondContact O-N 3.16Å; K230-M232 VanDerWaalsContact C-N 3.27Å; K230-M232 PolarHBondContact O-N 3.45Å; M232-K235 PolarHBondContact O-N 2.97Å; M232-E239 HydrophobicContact CE-CG 4.09Å; M232-E239 WeakPolarHBondContact CE-OE1 3.41Å; M232-E239 WeakPolarHBondContact CE-OE2 3.49Å
233V86.6Confident77Confident89 Ų89110.7 Ų110.754%0.53958%0.58SS.*Hα-helixtrans-66.1-44177.7175.60000111.7W229 K230 K235W229-V233 HydrophobicContact CD2-CG2 4.25Å; W229-V233 HydrophobicContact CG-CG2 4.38Å; W229-V233 HydrophobicContact CZ2-CG2 4.13Å; W229-V233 WeakPolarHBondContact O-CG2 3.22Å; W229-V233 PolarHBondContact O-N 3.34Å; K230-V233 PolarHBondContact O-N 3.25Å; V233-K235 PolarHBondContact O-N 3.02Å
234L82.1Confident74.8Confident152 Ų152113 Ų11380%0.79660%0.602SS**THydrogen-bonded Turntrans-70.6-15.9-176.7-163.466.4000113.2K230K230-L234 VanDerWaalsContact O-CB 3.25Å; K230-L234 WeakPolarHBondContact O-CB 3.36Å; K230-L234 PolarHBondContact O-N 3.39Å
235K78.1Confident72Confident167 Ų167117.7 Ų117.773%0.72662%0.617SS**THydrogen-bonded Turntrans-100.610.6-173.3-145.1167.1-179.3-172.90114.1K231 M232 V233K231-K235 WeakPolarHBondContact O-CB 3.32Å; M232-K235 PolarHBondContact O-N 2.97Å; V233-K235 PolarHBondContact O-N 3.02Å
236G59.8Low69.4Low58 Ų58118.7 Ų118.760%0.59864%0.644SS**  trans69.1109.5179.500000110.6H238G236-H238 PolarHBondContact O-N 2.85Å
237G63.5Low66.8Low78 Ų78126.7 Ų126.780%0.80467%0.674SS**  trans-46.9120.2-168.400000115
238H43.3Very low64.5Low173 Ų173127.1 Ų127.180%0.80169%0.685SS**  trans-151.4111.2147.8-159.5-94.4000107.6G236G236-H238 PolarHBondContact O-N 2.85Å
239E49.6Very low62.2Low120 Ų120130.8 Ų130.856%0.56170%0.701SS**  trans-92.9138.5170.1-75.1-87.6179.600108.8M232M232-E239 HydrophobicContact CE-CG 4.09Å; M232-E239 WeakPolarHBondContact CE-OE1 3.41Å; M232-E239 WeakPolarHBondContact CE-OE2 3.49Å
240A43.8Very low59.9Low78 Ų78134.8 Ų134.865%0.64572%0.721SS**  trans-152.9115.3142.200000108.8T242A240-T242 PolarHBondContact O-N 3.3Å
241P60.1Low57.7Low117 Ų117136.6 Ų136.676%0.7674%0.737SS**  trans-83.279.1175.1-6.924.3000112
242T53.9Low55.8Low125 Ų125134.8 Ų134.877%0.76774%0.743SS**  trans-149.5128.2158.952.20000112.6A240A240-T242 PolarHBondContact O-N 3.3Å
243K40.5Very low54.2Low194 Ų194139.2 Ų139.284%0.84377%0.766SS**  trans80.1137.2165.2-77.9167.2176.11690119.8K245K243-K245 PolarHBondContact O-N 2.96Å
244P52Low52.8Low128 Ų128138.5 Ų138.583%0.83176%0.763SS**  trans-78.9109.2172.933.2-28.4000108.2
245K40.3Very low52Low200 Ų200134.9 Ų134.987%0.8775%0.748SS**  trans-122.7120.3165.1-140.377.4175.1-177.10108.3K243K243-K245 PolarHBondContact O-N 2.96Å
246G43.4Very low51.3Low71 Ų71132.2 Ų132.273%0.73275%0.746SS**  trans-60.9165.1-175.500000113.6
247R43.4Very low51.7Low235 Ų235136.7 Ų136.789%0.88775%0.751SS**SBendtrans41109.3157.4-159.9178.4-169.2-1523.8116.2K249R247-K249 PolarHBondContact O-N 2.54Å; R247-K249 VanDerWaalsContact O-N 3.1Å
248P48.7Very low52.1Low129 Ų129138.3 Ų138.384%0.83874%0.738SS**  trans-63.8119.1175.326.4-30.4000110K250P248-K250 PolarHBondContact O-N 3.46Å
249K46.3Very low53.2Low201 Ų201134.1 Ų134.187%0.87472%0.72SS**  trans-67.5115.9158.1-100.1176171.2179.40106.4R247R247-K249 PolarHBondContact O-N 2.54Å; R247-K249 VanDerWaalsContact O-N 3.1Å
250K46.9Very low54.4Low183 Ų183133.7 Ų133.780%0.79672%0.718SS**SBendtrans-47.2144.6153.454.5-175.6-177.8175.10108.1P248P248-K250 PolarHBondContact O-N 3.46Å
251N48.6Very low55.8Low160 Ų160131.6 Ų131.686%0.85670%0.701SS**  trans122.220.8177.8-55.44.1000115.2
252S52.8Low56.7Low112 Ų112130.8 Ų130.878%0.78369%0.687SS**  trans-127.838.3169.8-172.20000111.9
253I54.5Low57.9Low153 Ų153131 Ų13179%0.78568%0.679SS**SBendtrans-118.2109.5165.4-55.7174.1000103.4T255I253-T255 PolarHBondContact O-N 3.45Å
254P57Low59.8Low74 Ų74128.9 Ų128.948%0.48167%0.666SS.*  trans-51.5130.2171.8-24.233.8000108.3E258 I259P254-E258 VanDerWaalsContact CA-OE2 3.32Å; P254-E258 WeakPolarHBondContact CA-OE2 3.2Å; P254-E258 HydrophobicContact CB-CB 4.41Å; P254-I259 HydrophobicContact CB-CG1 4.24Å
255T64.9Low61.1Low76 Ų76130 Ų13047%0.46665%0.654SS.*  trans-63.3149.8179.3450000108.7I253 E257 E258 I259I253-T255 PolarHBondContact O-N 3.45Å; T255-E257 PolarHBondContact O-N 3.36Å; T255-E258 PolarHBondContact N-OE2 3.49Å; T255-E258 WeakPolarHBondContact O-CB 3.47Å; T255-E258 PolarHBondContact O-N 3.36Å; T255-I259 PolarHBondContact O-N 3.09Å
256T64.3Low63.1Low112 Ų112125.3 Ų125.369%0.68764%0.638SS**Hα-helixtrans-52.9-27.4177.729.30000112.8E260T256-E260 WeakPolarHBondContact O-CG 3.44Å; T256-E260 PolarHBondContact O-N 3.3Å; T256-E260 VanDerWaalsContact O-N 3.1Å
257E68.7Low64.9Low151 Ų151129 Ų12971%0.70663%0.633SS**Hα-helixtrans-67.9-37.4171.7-99.2174.2151.600114.3T255 I259 A261T255-E257 PolarHBondContact O-N 3.36Å; E257-I259 VanDerWaalsContact C-N 3.33Å; E257-A261 VanDerWaalsContact O-CB 3.23Å; E257-A261 WeakPolarHBondContact O-CB 3.3Å; E257-A261 PolarHBondContact O-N 2.92Å
258E70.7Confident66.7Low112 Ų112124.4 Ų124.452%0.52362%0.624SS.*Hα-helixtrans-69.3-36.2176.8-74.5173.3155.900110.7P254 T255 A261 E262P254-E258 VanDerWaalsContact CA-OE2 3.32Å; P254-E258 WeakPolarHBondContact CA-OE2 3.2Å; P254-E258 HydrophobicContact CB-CB 4.41Å; T255-E258 PolarHBondContact N-OE2 3.49Å; T255-E258 WeakPolarHBondContact O-CB 3.47Å; T255-E258 PolarHBondContact O-N 3.36Å; E258-A261 PolarHBondContact O-N 3.18Å; E258-E262 PolarHBondContact O-N 3.4Å
259I66.7Low68.2Low86 Ų86122.9 Ų122.944%0.44161%0.606SS.*Hα-helixtrans-66.5-46.2176.6-57.9170.7000110.4P254 T255 E257 A261 E262 E263P254-I259 HydrophobicContact CB-CG1 4.24Å; T255-I259 PolarHBondContact O-N 3.09Å; E257-I259 VanDerWaalsContact C-N 3.33Å; I259-A261 VanDerWaalsContact C-N 3.31Å; I259-A261 PolarHBondContact O-N 3.36Å; I259-E262 PolarHBondContact O-N 2.99Å; I259-E263 PolarHBondContact O-N 2.91Å; I259-E263 VanDerWaalsContact O-N 3.09Å
260E74.2Confident69.7Low110 Ų110119.4 Ų119.451%0.51459%0.592SS.*Hα-helixtrans-68.7-28.8176.5-73.6179.7-169.300113T256 R264T256-E260 WeakPolarHBondContact O-CG 3.44Å; T256-E260 PolarHBondContact O-N 3.3Å; T256-E260 VanDerWaalsContact O-N 3.1Å; E260-R264 PolarHBondContact O-N 3.36Å; E260-R264 PolarHBondContact O-NE 3.43Å
261A74.1Confident71.1Confident34 Ų34115.5 Ų115.528%0.28158%0.577SS.*Hα-helixtrans-69.9-41.1173.500000111.6E257 E258 I259 R264 R265E257-A261 VanDerWaalsContact O-CB 3.23Å; E257-A261 WeakPolarHBondContact O-CB 3.3Å; E257-A261 PolarHBondContact O-N 2.92Å; E258-A261 PolarHBondContact O-N 3.18Å; I259-A261 VanDerWaalsContact C-N 3.31Å; I259-A261 PolarHBondContact O-N 3.36Å; A261-R264 PolarHBondContact O-N 2.95Å; A261-R265 WeakPolarHBondContact O-CG 3.01Å; A261-R265 PolarHBondContact O-N 3.43Å
262E79.8Confident72.4Confident100 Ų100114.1 Ų114.147%0.46757%0.566SS.*Hα-helixtrans-66.6-41.1177.1-151.674.1-113.500111.6E258 I259 R264 R265 L266E258-E262 PolarHBondContact O-N 3.4Å; I259-E262 PolarHBondContact O-N 2.99Å; E262-R264 VanDerWaalsContact C-N 3.32Å; E262-R264 PolarHBondContact O-N 3.38Å; E262-R265 PolarHBondContact O-N 3.45Å; E262-R265 VanDerWaalsContact O-N 3.16Å; E262-R265 IonicContact OE1-CZ 3.47Å; E262-R265 IonicContact OE1-NH1 3.38Å; E262-R265 PolarHBondContact OE1-NH1 3.07Å; E262-R265 VanDerWaalsContact OE1-NH1 3.15Å; E262-L266 WeakPolarHBondContact O-CG 3.33Å; E262-L266 PolarHBondContact O-N 2.96Å
263E77.8Confident73.2Confident130 Ų130115.5 Ų115.561%0.60756%0.56SS**Hα-helixtrans-62.6-37.7174.8-76-173.9168.300112.4I259 R265 K267I259-E263 PolarHBondContact O-N 2.91Å; I259-E263 VanDerWaalsContact O-N 3.09Å; E263-R265 VanDerWaalsContact C-N 3.35Å; E263-K267 WeakPolarHBondContact O-CB 3.41Å; E263-K267 PolarHBondContact O-N 3.48Å
264R80.7Confident73.8Confident150 Ų150114.3 Ų114.357%0.56655%0.552SS**Hα-helixtrans-66.4-35.9174-96.8-179.1-80.8110.2-2112.7E260 A261 E262 M268E260-R264 PolarHBondContact O-N 3.36Å; E260-R264 PolarHBondContact O-NE 3.43Å; A261-R264 PolarHBondContact O-N 2.95Å; E262-R264 VanDerWaalsContact C-N 3.32Å; E262-R264 PolarHBondContact O-N 3.38Å; R264-M268 WeakPolarHBondContact O-CB 3.45Å; R264-M268 PolarHBondContact O-N 3.39Å; R264-M268 VanDerWaalsContact O-N 3.07Å
265R80.2Confident74.4Confident150 Ų150119 Ų11957%0.56656%0.56SS**Hα-helixtrans-68-45.6176.8-71.3178.372.5-158.93.5111.4A261 E262 E263 K267 M268 E269A261-R265 WeakPolarHBondContact O-CG 3.01Å; A261-R265 PolarHBondContact O-N 3.43Å; E262-R265 PolarHBondContact O-N 3.45Å; E262-R265 VanDerWaalsContact O-N 3.16Å; E262-R265 IonicContact OE1-CZ 3.47Å; E262-R265 IonicContact OE1-NH1 3.38Å; E262-R265 PolarHBondContact OE1-NH1 3.07Å; E262-R265 VanDerWaalsContact OE1-NH1 3.15Å; E263-R265 VanDerWaalsContact C-N 3.35Å; R265-K267 VanDerWaalsContact C-N 3.29Å; R265-K267 PolarHBondContact O-N 3.17Å; R265-M268 PolarHBondContact O-N 3.06Å; R265-M268 VanDerWaalsContact O-N 3.17Å; R265-E269 PolarHBondContact O-N 3.48Å
266L81.6Confident74.4Confident102 Ų102123.9 Ų123.953%0.53458%0.575SS.*Hα-helixtrans-61.7-38.9176.1-69.8171.6000111.9E262 M268 E269 E270E262-L266 WeakPolarHBondContact O-CG 3.33Å; E262-L266 PolarHBondContact O-N 2.96Å; L266-M268 VanDerWaalsContact C-N 3.33Å; L266-M268 PolarHBondContact O-N 3.35Å; L266-E269 PolarHBondContact O-N 2.91Å; L266-E270 WeakPolarHBondContact O-CB 3.4Å; L266-E270 PolarHBondContact O-N 3.1Å
267K81.8Confident74.2Confident148 Ų148122.3 Ų122.364%0.64357%0.573SS**Hα-helixtrans-67.8-33.3177-165.2172.3-176.2-178.60112.9E263 R265 E271E263-K267 WeakPolarHBondContact O-CB 3.41Å; E263-K267 PolarHBondContact O-N 3.48Å; R265-K267 VanDerWaalsContact C-N 3.29Å; R265-K267 PolarHBondContact O-N 3.17Å; K267-E271 PolarHBondContact O-N 3.22Å; K267-E271 VanDerWaalsContact O-N 3.11Å
268M79.9Confident73.8Confident139 Ų139119.9 Ų119.969%0.68557%0.573SS**Hα-helixtrans-72.8-38.5175-164.6171.4-179.100111.5R264 R265 L266 E271 E272R264-M268 WeakPolarHBondContact O-CB 3.45Å; R264-M268 PolarHBondContact O-N 3.39Å; R264-M268 VanDerWaalsContact O-N 3.07Å; R265-M268 PolarHBondContact O-N 3.06Å; R265-M268 VanDerWaalsContact O-N 3.17Å; L266-M268 VanDerWaalsContact C-N 3.33Å; L266-M268 PolarHBondContact O-N 3.35Å; M268-E271 PolarHBondContact O-N 3.18Å; M268-E272 WeakPolarHBondContact O-CB 3.48Å; M268-E272 PolarHBondContact O-N 3Å
269E80.4Confident73Confident98 Ų98121.7 Ų121.746%0.45859%0.586SS.*Hα-helixtrans-66.2-36.8173.2-77.7177.4-178.500112.5R265 L266 E272 Q273R265-E269 PolarHBondContact O-N 3.48Å; L266-E269 PolarHBondContact O-N 2.91Å; E269-E272 PolarHBondContact O-N 3.48Å; E269-Q273 WeakPolarHBondContact O-CB 3.23Å; E269-Q273 WeakPolarHBondContact O-CG 3.45Å; E269-Q273 PolarHBondContact O-N 2.98Å
270E78.9Confident72.3Confident127 Ų127125.2 Ų125.259%0.59360%0.601SS**Hα-helixtrans-67.6-40.2175.2-170.2178.2-171.700111.8L266 Q273 M274L266-E270 WeakPolarHBondContact O-CB 3.4Å; L266-E270 PolarHBondContact O-N 3.1Å; E270-Q273 PolarHBondContact O-N 3.11Å; E270-M274 WeakPolarHBondContact O-CB 3.46Å; E270-M274 PolarHBondContact O-N 3.01Å
271E75.6Confident71.1Confident101 Ų101125 Ų12547%0.47261%0.609SS.*Hα-helixtrans-68.3-35.9175.2-161.8-175.4152.200111.9K267 M268 M274 R275K267-E271 PolarHBondContact O-N 3.22Å; K267-E271 VanDerWaalsContact O-N 3.11Å; M268-E271 PolarHBondContact O-N 3.18Å; E271-M274 PolarHBondContact O-N 2.95Å; E271-R275 WeakPolarHBondContact O-CG 3.41Å; E271-R275 PolarHBondContact O-N 2.74Å; E271-R275 IonicContact OE1-CZ 3.33Å; E271-R275 IonicContact OE1-NE 2.72Å; E271-R275 PolarHBondContact OE1-NE 3.35Å; E271-R275 IonicContact OE1-NH2 3.26Å; E271-R275 PolarHBondContact OE1-NH2 2.89Å
272E75.3Confident69.7Low132 Ų132132.7 Ų132.762%0.61764%0.639SS**Hα-helixtrans-68.5-39.1174.6-170172.4-178.700112.1M268 E269 R275 K276M268-E272 WeakPolarHBondContact O-CB 3.48Å; M268-E272 PolarHBondContact O-N 3Å; E269-E272 PolarHBondContact O-N 3.48Å; E272-R275 PolarHBondContact O-N 3.4Å; E272-K276 WeakPolarHBondContact O-CB 3.33Å; E272-K276 PolarHBondContact O-N 3.11Å
273Q69.8Low67.7Low141 Ų141134.8 Ų134.866%0.65965%0.654SS**Hα-helixtrans-64.4-38.8172.2-78.6-176.929.500112.3E269 E270 K276 A277E269-Q273 WeakPolarHBondContact O-CB 3.23Å; E269-Q273 WeakPolarHBondContact O-CG 3.45Å; E269-Q273 PolarHBondContact O-N 2.98Å; E270-Q273 PolarHBondContact O-N 3.11Å; Q273-K276 PolarHBondContact O-N 3.34Å; Q273-A277 PolarHBondContact O-N 3.42Å; Q273-A277 VanDerWaalsContact O-N 3.09Å
274M67.8Low66.1Low128 Ų128135.7 Ų135.763%0.63166%0.662SS**Hα-helixtrans-67.9-35.7177.1-168.1-178.7-65.700112.3E270 E271 A277 S278E270-M274 WeakPolarHBondContact O-CB 3.46Å; E270-M274 PolarHBondContact O-N 3.01Å; E271-M274 PolarHBondContact O-N 2.95Å; M274-A277 PolarHBondContact O-N 3.37Å; M274-S278 PolarHBondContact O-OG 3.42Å
275R69.8Low64.1Low173 Ų173134.4 Ų134.465%0.65368%0.676SS**Hα-helixtrans-68-40.2173.4-73.8172.4-175.7-99.40.5111.9E271 E272 A277 S278E271-R275 WeakPolarHBondContact O-CG 3.41Å; E271-R275 PolarHBondContact O-N 2.74Å; E271-R275 IonicContact OE1-CZ 3.33Å; E271-R275 IonicContact OE1-NE 2.72Å; E271-R275 PolarHBondContact OE1-NE 3.35Å; E271-R275 IonicContact OE1-NH2 3.26Å; E271-R275 PolarHBondContact OE1-NH2 2.89Å; E272-R275 PolarHBondContact O-N 3.4Å; R275-A277 VanDerWaalsContact C-N 3.27Å; R275-A277 PolarHBondContact O-N 3.41Å; R275-S278 PolarHBondContact O-N 3.22Å
276K65Low62.3Low178 Ų178132.8 Ų132.877%0.77469%0.687SS**Hα-helixtrans-69.6-23.4178.4-159.2174.3-176.7-179.40113.3E272 Q273 S278E272-K276 WeakPolarHBondContact O-CB 3.33Å; E272-K276 PolarHBondContact O-N 3.11Å; Q273-K276 PolarHBondContact O-N 3.34Å; K276-S278 VanDerWaalsContact C-N 3.33Å
277A60Low60.3Low78 Ų78136.5 Ų136.565%0.64570%0.702SS**THydrogen-bonded Turntrans-79.8-8.2176.200000114.5Q273 M274 R275Q273-A277 PolarHBondContact O-N 3.42Å; Q273-A277 VanDerWaalsContact O-N 3.09Å; M274-A277 PolarHBondContact O-N 3.37Å; R275-A277 VanDerWaalsContact C-N 3.27Å; R275-A277 PolarHBondContact O-N 3.41Å
278S59.3Low58.5Low101 Ų101135.7 Ų135.771%0.70671%0.709SS**THydrogen-bonded Turntrans-100.10.5-178.5-64.10000114.4M274 R275 K276M274-S278 PolarHBondContact O-OG 3.42Å; R275-S278 PolarHBondContact O-N 3.22Å; K276-S278 VanDerWaalsContact C-N 3.33Å
279D54.9Low56.3Low150 Ų150137.6 Ų137.680%0.80272%0.716SS**  trans-118.929.5-174.7-127.41.5000112.5P281D279-P281 WeakPolarHBondContact O-CD 3.32Å
280E50.8Low54.4Low159 Ų159138.2 Ų138.274%0.74373%0.732SS**  trans-90112.8169.1-111.7-71.312200109.4Q282E280-Q282 PolarHBondContact O-N 2.99Å
281P50.2Low53Low105 Ų105137.8 Ų137.868%0.68274%0.74SS**  trans-72.1112.3176.827.1-30000110.2D279 D283D279-P281 WeakPolarHBondContact O-CD 3.32Å; P281-D283 PolarHBondContact O-N 3.19Å
282Q44.8Very low51.1Low196 Ų196139 Ų13992%0.91676%0.76SS**  trans-70.8105.1165.6-68.7-157.2-35.700109.8E280E280-Q282 PolarHBondContact O-N 2.99Å
283D36.9Very low49.1Very low145 Ų145136.1 Ų136.178%0.77577%0.765SS**  trans-94107.9166.7-144.5-1.6000110.3P281P281-D283 PolarHBondContact O-N 3.19Å
284L45.7Very low47.5Very low149 Ų149133.6 Ų133.678%0.7877%0.768SS**  trans16.2119.5147.7-65.8159.5000119.1
285S37.7Very low46.2Very low122 Ų122134.6 Ų134.685%0.85378%0.775SS**  167.5116.698.748.30000112.3
286S42.5Very low45Very low116 Ų116135.1 Ų135.181%0.81178%0.784SS**  trans-100.6115.2159.545.80000107.7
287E39.6Very low43.7Very low181 Ų181129.9 Ų129.985%0.84678%0.781SS**  trans-135.9119153.2-83.1-136.4111.800110.4
288T42.9Very low42.8Very low130 Ų130134.2 Ų134.280%0.79879%0.793SS**  trans-53.7126.1163.427.70000112.1
289H35.1Very low41.9Very low179 Ų179137.4 Ų137.483%0.82980%0.796SS**  trans-151.6113.8148-110.6-80.4000110.1
290S40.8Very low41.3Very low112 Ų112139.5 Ų139.578%0.78380%0.801SS**  trans-76.8148149.8-72.30000108.2
291P48.5Very low40.7Very low117 Ų117138.5 Ų138.576%0.7680%0.797SS**  -145.7145.2101.733.1-15.2000115.6
292S36.3Very low40.3Very low128 Ų128140.1 Ų140.190%0.89580%0.795SS**  trans21.6128.9133.3-159.50000120.3
293G33Very low40Very low71 Ų71138.5 Ų138.573%0.73279%0.788SS**  trans147.1103144.600000118.1
294A36.1Very low41.1Very low87 Ų87136.4 Ų136.472%0.71978%0.782SS**  trans74.7120.713500000122.8
295I40.4Very low40.9Very low150 Ų150136.9 Ų136.977%0.76978%0.784SS**  66.2119.2127.8-55.9175.9000115.6
296E45Very low41.7Very low183 Ų183136 Ų13686%0.85578%0.775SS**  -176.2131.663-135.5155.8-165.900104.9
297G37.5Very low41.7Very low68 Ų68138.7 Ų138.770%0.70178%0.777SS**  97.7133.781.100000111.7
298L41.2Very low41.9Very low170 Ų170134.9 Ų134.989%0.8977%0.771SS**  trans91.884.6-179.7-56.9163.4000113.9
299E40.2Very low42Very low168 Ų168137 Ų13779%0.78577%0.772SS**  55.997.254.1-101.6-175117.200114.6
300Q41.4Very low42.6Very low194 Ų194133.8 Ų133.891%0.90777%0.765SS**  179.288.8127.4-98.5172.6-7.200106.6
301E39.6Very low42.8Very low138 Ų138137.6 Ų137.665%0.64577%0.77SS**  64.499.572.4-167.7130.4104.100113.9
302Q40.3Very low43.1Very low139 Ų139139.6 Ų139.665%0.6577%0.773SS**  trans62.3147.9132.5-67167.419.900119.4
303Q39.8Very low43.8Very low162 Ų162138 Ų13876%0.75777%0.767SS**  cis-161.4170.810.2-124.3169.815.700108.2
304P58.5Low45Very low101 Ų101144 Ų14466%0.65680%0.799SS**  trans-97.6-171.7-177.334.1-20.6000113.2
305L42.9Very low45.4Very low158 Ų158146.9 Ų146.983%0.82780%0.802SS**  trans104.7165.8160.7-51.1-177.7000116.1
306P54.6Low45.7Very low103 Ų103146.7 Ų146.767%0.66980%0.804SS**  -141.6-178.7-70.245.3-28.5000113.5
307M42.1Very low45.7Very low173 Ų173144.7 Ų144.785%0.85280%0.801SS**  trans66.6158.1151.5-64.6-62.3-80.200122.6
308S43.9Very low46.2Very low102 Ų102149.2 Ų149.271%0.71381%0.807SS**  trans85.7105.8166.270.40000115.5
309E43.8Very low46.5Very low175 Ų175147.9 Ų147.982%0.81880%0.802SS**  104.6126.166.7-97.5-172.2137.700110.6
310T48.3Very low46.9Very low111 Ų111146.5 Ų146.568%0.68180%0.803SS**  trans11132148.4540000119.2
311H46.2Very low47.3Very low191 Ų191143.1 Ų143.188%0.88480%0.796SS**  -157.3135.2124.9-109.3-79.5000113
312L53.5Low47.9Very low160 Ų160143.5 Ų143.584%0.83881%0.808SS**  trans-58.7149.2162.2-97.780.2000112.4
313A51.9Low48.5Very low93 Ų93143.9 Ų143.977%0.76982%0.821SS**  trans-162.3111.6138.600000106.4
314S56.8Low49.3Very low198 Ų198142.3 Ų142.3100%1.38583%0.826SS**  65.9088.8-81.70000113.4

Retrieved 314 of 314 residues in 140.5 ms (Link to these results)