A0A5K4ETE6_SCHMA Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4ETE6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 401 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
1M37.7Very low38.1Very low232 Ų232162.7 Ų162.7100%1.14382%0.822SS**  090.40-66.2163.372.600107
2F37.6Very low38.2Very low208 Ų208156.3 Ų156.391%0.91281%0.813SS**  trans-94.5109.7179.3-71.2-77.2000107.5N4F2-N4 PolarHBondContact O-N 2.94Å
3S38.3Very low38.4Very low91 Ų91152.6 Ų152.664%0.63681%0.808SS**  trans-67124.1177.9540000108.6Q5S3-Q5 PolarHBondContact O-N 2.98Å
4N38.8Very low38.4Very low163 Ų163158 Ų15887%0.87281%0.812SS**  trans-66.380.8163.7-70.2-30.5000107F2 Y6F2-N4 PolarHBondContact O-N 2.94Å; N4-Y6 PolarHBondContact O-N 3.2Å
5Q38.8Very low38.3Very low165 Ų165157.7 Ų157.777%0.77181%0.812SS**  trans-65.491.8168.4-75.4-178.6-25.300107.2S3 M7S3-Q5 PolarHBondContact O-N 2.98Å; Q5-M7 PolarHBondContact O-N 2.85Å
6Y34.9Very low38.4Very low220 Ų220158.4 Ų158.486%0.86382%0.817SS**  trans2081.2139.2-120.5-99.7000112.2N4 G8N4-Y6 PolarHBondContact O-N 3.2Å; Y6-G8 PolarHBondContact O-N 3.29Å
7M37.6Very low38.6Very low184 Ų184156.1 Ų156.191%0.90682%0.818SS**  trans-66.495.7162.5-80.6-161.782.700105.7Q5 T9Q5-M7 PolarHBondContact O-N 2.85Å; M7-T9 PolarHBondContact O-N 2.94Å
8G35.6Very low38.3Very low48 Ų48161.1 Ų161.150%0.49582%0.824SS.*  trans-43.7131.417900000110.3Y6 R10Y6-G8 PolarHBondContact O-N 3.29Å; G8-R10 PolarHBondContact O-N 2.71Å
9T39.3Very low38Very low134 Ų134157.5 Ų157.582%0.82282%0.821SS**  trans-38.7110.6162.642.80000108.4M7 P11M7-T9 PolarHBondContact O-N 2.94Å; T9-P11 WeakPolarHBondContact O-CD 3.25Å; T9-P11 VanDerWaalsContact O-N 3.13Å
10R38.3Very low38Very low228 Ų228154.1 Ų154.186%0.8682%0.817SS**  trans-55.9122172.2-70.1176.8164.5-164.9-3.9105.9G8 A12G8-R10 PolarHBondContact O-N 2.71Å; R10-A12 PolarHBondContact O-N 3.3Å
11P42.7Very low38Very low117 Ų117151.6 Ų151.676%0.7681%0.812SS**  trans-56.8121.4-179.819.1-28.9000107.8T9 S13T9-P11 WeakPolarHBondContact O-CD 3.25Å; T9-P11 VanDerWaalsContact O-N 3.13Å; P11-S13 PolarHBondContact O-N 2.73Å
12A39.3Very low38.1Very low86 Ų86146.2 Ų146.271%0.71179%0.792SS**  trans-42.2125.2176.200000108.7R10 R14R10-A12 PolarHBondContact O-N 3.3Å; A12-R14 PolarHBondContact O-N 3.12Å
13S40.5Very low38.1Very low108 Ų108140.9 Ų140.976%0.75578%0.777SS**  trans-0.895.3161.341.20000113.2P11 N15P11-S13 PolarHBondContact O-N 2.73Å; S13-N15 PolarHBondContact O-N 2.86Å
14R38.8Very low38Very low228 Ų228142.4 Ų142.486%0.8678%0.782SS**  trans-51.4114.6167.5-75-179.4175.2-165.3-2.8107.2A12 L16A12-R14 PolarHBondContact O-N 3.12Å; R14-L16 PolarHBondContact O-N 2.84Å
15N36Very low38Very low153 Ų153144.9 Ų144.982%0.81878%0.781SS**  trans-42.6104.9168.5-72.3-52000108.6S13 S17S13-N15 PolarHBondContact O-N 2.86Å; N15-S17 PolarHBondContact O-N 2.76Å
16L40.7Very low37.9Very low169 Ų169140.1 Ų140.189%0.88578%0.776SS**  trans-65.4106.3164.9-69.9171000104.9R14 R18R14-L16 PolarHBondContact O-N 2.84Å; L16-R18 PolarHBondContact O-N 3.14Å
17S40.8Very low38Very low119 Ų119138.8 Ų138.883%0.83278%0.777SS**  trans-52.9103.2171.5-58.30000107.5N15 A19N15-S17 PolarHBondContact O-N 2.76Å; S17-A19 PolarHBondContact O-N 3.05Å
18R33.8Very low38.2Very low246 Ų246135 Ų13593%0.92877%0.769SS**  trans-58.6113.5169.6-119.7176.6-174.9-173.41.4105.4L16 A20L16-R18 PolarHBondContact O-N 3.14Å; R18-A20 PolarHBondContact O-N 2.94Å; R18-A20 VanDerWaalsContact O-N 3.13Å
19A32.2Very low38Very low94 Ų94134.7 Ų134.778%0.77777%0.766SS**  trans-49125.1168.600000107S17 S21S17-A19 PolarHBondContact O-N 3.05Å; A19-S21 PolarHBondContact O-N 3.41Å
20A39Very low38.3Very low88 Ų88134.4 Ų134.473%0.72777%0.766SS**  trans-54.8106.4173.800000106.7R18 T22R18-A20 PolarHBondContact O-N 2.94Å; R18-A20 VanDerWaalsContact O-N 3.13Å; A20-T22 PolarHBondContact O-N 3.06Å
21S37.5Very low38.3Very low103 Ų103133.8 Ų133.872%0.7277%0.766SS**  trans-64.399.6167.4-178.30000104.8A19 T23A19-S21 PolarHBondContact O-N 3.41Å; S21-T23 PolarHBondContact O-N 2.81Å
22T39.3Very low38.1Very low118 Ų118132.2 Ų132.272%0.72476%0.758SS**  trans-68.674.9169.554.30000107A20 V24A20-T22 PolarHBondContact O-N 3.06Å; T22-V24 PolarHBondContact O-N 3.25Å
23T38.1Very low38Very low96 Ų96139.3 Ų139.359%0.58977%0.766SS**  trans-68.694.5156.9-45.40000103.9S21 Y25S21-T23 PolarHBondContact O-N 2.81Å; T23-Y25 VanDerWaalsContact C-N 3.25Å; T23-Y25 PolarHBondContact O-N 3.05Å
24V35.7Very low38.1Very low124 Ų124142 Ų14275%0.75277%0.771SS**  trans-59.695.8174.4178.60000106T22 G26T22-V24 PolarHBondContact O-N 3.25Å; V24-G26 PolarHBondContact O-N 2.81Å; V24-G26 VanDerWaalsContact O-N 3.08Å
25Y38.3Very low38.1Very low215 Ų215138.7 Ų138.784%0.84377%0.771SS**  trans-66.1108.2174.7-99-92000107.5T23T23-Y25 VanDerWaalsContact C-N 3.25Å; T23-Y25 PolarHBondContact O-N 3.05Å
26G37.7Very low38.3Very low64 Ų64135.5 Ų135.566%0.6677%0.765SS**  trans49.992.6150.200000115.9V24 S28V24-G26 PolarHBondContact O-N 2.81Å; V24-G26 VanDerWaalsContact O-N 3.08Å; G26-S28 PolarHBondContact O-N 2.82Å; G26-S28 VanDerWaalsContact O-N 3.14Å
27Q37.2Very low38.2Very low192 Ų192136.4 Ų136.490%0.89777%0.765SS**  trans-54.5119.7145.4-85.6-168-2500107.7G29Q27-G29 PolarHBondContact O-N 3.4Å
28S41.1Very low38.1Very low104 Ų104139.1 Ų139.173%0.72776%0.764SS**  trans-57.898.117348.10000109.2G26G26-S28 PolarHBondContact O-N 2.82Å; G26-S28 VanDerWaalsContact O-N 3.14Å
29G32.6Very low38.6Very low43 Ų43133.1 Ų133.144%0.44376%0.757SS.*  trans-60.7152.8163.100000110Q27 Y31 S32Q27-G29 PolarHBondContact O-N 3.4Å; G29-Y31 PolarHBondContact O-N 3.1Å; G29-S32 PolarHBondContact O-N 2.95Å
30P44.3Very low39.3Very low127 Ų127137.6 Ų137.683%0.82576%0.762SS**THydrogen-bonded Turntrans-66.98.6-170.926.5-34.7000115.4
31Y38.8Very low39.7Very low215 Ų215142.1 Ų142.184%0.84377%0.768SS**THydrogen-bonded Turntrans-107.121.8175.4-58.4-70.7000113.3G29 R33G29-Y31 PolarHBondContact O-N 3.1Å; Y31-R33 PolarHBondContact O-N 2.98Å
32S38.1Very low40.1Very low85 Ų85144.8 Ų144.859%0.59477%0.767SS**  trans-71.274.7175.4-159.20000110.7G29 L34G29-S32 PolarHBondContact O-N 2.95Å; S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 2.96Å
33R38.2Very low40.8Very low235 Ų235143.7 Ų143.789%0.88776%0.762SS**  trans-69.796.3165.8-72.1-171.8176.8-176-0.4107.6Y31 N35Y31-R33 PolarHBondContact O-N 2.98Å; R33-N35 PolarHBondContact O-N 2.8Å
34L41.9Very low41.9Very low165 Ų165146 Ų14686%0.86478%0.775SS**  trans-55.684.8160.5-77154.5000108.6S32S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 2.96Å
35N39.1Very low42.6Very low158 Ų158147.4 Ų147.485%0.84578%0.778SS**  trans-100.7100.5159.2-114.7-6.8000107.6R33R33-N35 PolarHBondContact O-N 2.8Å
36A39.6Very low43.1Very low85 Ų85139.7 Ų139.770%0.70276%0.759SS**  trans-53.7151.5168.100000110.6
37Q39.8Very low43.8Very low188 Ų188145.7 Ų145.788%0.87977%0.767SS**  trans74.959.2169.5-51.9-176.2-7.200116.6
38Q37.3Very low44.7Very low177 Ų177141.9 Ų141.983%0.82775%0.753SS**  trans-108.8120.4135.6-82.5-171.1-0.900108.2Q40Q38-Q40 PolarHBondContact O-N 2.99Å
39P45.5Very low45.5Very low119 Ų119143.9 Ų143.977%0.77376%0.755SS**  trans-57120170.722.6-29000106.9Q41P39-Q41 PolarHBondContact O-N 3.17Å
40Q46.3Very low46.6Very low189 Ų189147.2 Ų147.288%0.88376%0.763SS**  trans-48.5108.1178.1-69.4-113.2-1800107.9Q38 K42Q38-Q40 PolarHBondContact O-N 2.99Å; Q40-K42 VanDerWaalsContact C-N 3.3Å; Q40-K42 PolarHBondContact O-N 2.83Å
41Q48Very low47.2Very low183 Ų183149 Ų14986%0.85577%0.766SS**  trans-62.3102.5171-76.8-175.32000105.8P39P39-Q41 PolarHBondContact O-N 3.17Å
42K45.9Very low48.1Very low158 Ų158142.7 Ų142.769%0.68776%0.758SS**  trans-53.3125.4172.7-147.9179.3-173.2-173.30105.4Q40 V44Q40-K42 VanDerWaalsContact C-N 3.3Å; Q40-K42 PolarHBondContact O-N 2.83Å; K42-V44 PolarHBondContact O-N 2.87Å; K42-V44 VanDerWaalsContact O-N 3.11Å
43P52.6Low49Very low95 Ų95146.5 Ų146.562%0.61777%0.767SS**  trans-55127.3-179.516.8-26.6000107.6N45 A46P43-N45 PolarHBondContact O-N 2.92Å; P43-A46 HydrophobicContact CG-CB 4.28Å; P43-A46 WeakPolarHBondContact O-CB 3.38Å; P43-A46 PolarHBondContact O-N 2.77Å
44V61.1Low49.9Very low144 Ų144140.5 Ų140.587%0.87376%0.758SS**THydrogen-bonded Turntrans-56.5-13.7-172.2178.20000112.6K42K42-V44 PolarHBondContact O-N 2.87Å; K42-V44 VanDerWaalsContact O-N 3.11Å
45N50.7Low51.1Low154 Ų154141.2 Ų141.282%0.82476%0.757SS**THydrogen-bonded Turntrans-107.212.6177.7-71.11.1000114.9P43 K47P43-N45 PolarHBondContact O-N 2.92Å; N45-K47 VanDerWaalsContact C-N 3.29Å; N45-K47 PolarHBondContact O-N 3.14Å
46A49.7Very low52.6Low53 Ų53142.7 Ų142.744%0.43876%0.759SS.*  trans-68.295.1168.600000108.2P43 D48P43-A46 HydrophobicContact CG-CB 4.28Å; P43-A46 WeakPolarHBondContact O-CB 3.38Å; P43-A46 PolarHBondContact O-N 2.77Å; A46-D48 PolarHBondContact O-N 2.81Å
47K53Low54.2Low190 Ų190142.7 Ų142.783%0.82675%0.75SS**  trans-42.2128.5167.2-124.1175.6177.8-174.90107.9N45 N49N45-K47 VanDerWaalsContact C-N 3.29Å; N45-K47 PolarHBondContact O-N 3.14Å; K47-N49 PolarHBondContact O-N 2.8Å; K47-N49 VanDerWaalsContact O-N 3.07Å
48D55.6Low55.9Low112 Ų112139 Ų13960%0.59974%0.736SS**  trans-59.1116.8179.7-155.38.9000107.7A46 N50A46-D48 PolarHBondContact O-N 2.81Å; D48-N50 VanDerWaalsContact CG-ND2 3.31Å; D48-N50 PolarHBondContact O-N 2.81Å; D48-N50 PolarHBondContact OD2-ND2 3.31Å
49N56.4Low57.9Low146 Ų146137.8 Ų137.878%0.78173%0.725SS**  trans-75.846.9177.9-69.1-32.2000109.1K47 D51K47-N49 PolarHBondContact O-N 2.8Å; K47-N49 VanDerWaalsContact O-N 3.07Å; N49-D51 PolarHBondContact O-N 3.39Å
50N56.5Low59.7Low114 Ų114134.9 Ų134.961%0.6171%0.707SS**  trans-66.6119.7163-72.3-44000105D48 A52D48-N50 VanDerWaalsContact CG-ND2 3.31Å; D48-N50 PolarHBondContact O-N 2.81Å; D48-N50 PolarHBondContact OD2-ND2 3.31Å; N50-A52 PolarHBondContact O-N 2.79Å
51D57.3Low61.5Low165 Ų165128.3 Ų128.388%0.88268%0.676SS**  trans-62.342.3170.4-59.6-56.4000111.1N49 E53N49-D51 PolarHBondContact O-N 3.39Å; D51-E53 PolarHBondContact O-N 2.96Å
52A57.4Low63.1Low82 Ų82124.3 Ų124.368%0.67866%0.658SS**  trans-62.3109.7169.700000105.4N50N50-A52 PolarHBondContact O-N 2.79Å
53E57.9Low65.2Low165 Ų165123.6 Ų123.677%0.77166%0.662SS**  trans-16.4127.5163-78.3-73.4136.700111.1D51 E55D51-E53 PolarHBondContact O-N 2.96Å; E53-E55 PolarHBondContact O-N 3.17Å
54P56.9Low66.7Low108 Ų108121.9 Ų121.970%0.70165%0.648SS**  trans-53.3106.1-174.224.2-33.2000107.6E56P54-E56 PolarHBondContact O-N 3.43Å
55E65.7Low68Low181 Ų181118.8 Ų118.885%0.84663%0.631SS**  trans-52.7107.3-179.4-169.1174.2-163.900105.5E53 V57E53-E55 PolarHBondContact O-N 3.17Å; E55-V57 PolarHBondContact O-N 3.17Å
56E70.5Confident69.5Low189 Ų189115.4 Ų115.488%0.88362%0.615SS**  trans-63.997.1-177.5-75.8-171.917400105.6P54 D58P54-E56 PolarHBondContact O-N 3.43Å; E56-D58 PolarHBondContact O-N 3.32Å
57V73.2Confident71Confident85 Ų85122.8 Ų122.852%0.51563%0.632SS.*  trans-60111.2179.8177.70000106E55 Y59E55-V57 PolarHBondContact O-N 3.17Å; V57-Y59 HydrophobicContact CB-CD2 4.29Å; V57-Y59 HydrophobicContact CB-CE1 4.45Å; V57-Y59 HydrophobicContact CB-CE2 3.62Å; V57-Y59 HydrophobicContact CG1-CD1 4.25Å; V57-Y59 HydrophobicContact CG1-CD2 4.32Å; V57-Y59 HydrophobicContact CG1-CE1 3.73Å; V57-Y59 HydrophobicContact CG1-CE2 3.8Å; V57-Y59 VanDerWaalsContact CG1-CZ 3.46Å; V57-Y59 WeakPolarHBondContact O-CD2 3.24Å; V57-Y59 WeakPolarHBondContact O-CE2 3.43Å; V57-Y59 PolarHBondContact O-N 3.1Å
58D75.9Confident72.4Confident110 Ų110118.1 Ų118.159%0.58861%0.613SS**  trans-6999.6-179-177.816.1000109.5E56 S60 F61E56-D58 PolarHBondContact O-N 3.32Å; D58-S60 PolarHBondContact O-N 3.29Å; D58-S60 WeakPolarHBondContact OD1-CA 3.38Å; D58-S60 WeakPolarHBondContact OD1-CB 3.46Å; D58-S60 PolarHBondContact OD1-N 3.43Å; D58-S60 PolarHBondContact OD1-OG 3.17Å; D58-S60 PolarHBondContact OD2-OG 3.13Å; D58-F61 VanDerWaalsContact O-CD1 3.3Å; D58-F61 WeakPolarHBondContact O-CD1 3.48Å; D58-F61 WeakPolarHBondContact O-CE1 3.3Å
59Y80.7Confident73.7Confident151 Ų151115.9 Ų115.959%0.59260%0.596SS**G310 helixtrans-85.313.6174.1-63.2-75.3000112.5V57 F61 M62V57-Y59 HydrophobicContact CB-CD2 4.29Å; V57-Y59 HydrophobicContact CB-CE1 4.45Å; V57-Y59 HydrophobicContact CB-CE2 3.62Å; V57-Y59 HydrophobicContact CG1-CD1 4.25Å; V57-Y59 HydrophobicContact CG1-CD2 4.32Å; V57-Y59 HydrophobicContact CG1-CE1 3.73Å; V57-Y59 HydrophobicContact CG1-CE2 3.8Å; V57-Y59 VanDerWaalsContact CG1-CZ 3.46Å; V57-Y59 WeakPolarHBondContact O-CD2 3.24Å; V57-Y59 WeakPolarHBondContact O-CE2 3.43Å; V57-Y59 PolarHBondContact O-N 3.1Å; Y59-F61 HydrophobicContact CD1-CE1 4.16Å; Y59-F61 HydrophobicContact CD1-CZ 4.19Å; Y59-F61 PolarHBondContact O-N 2.65Å; Y59-F61 VanDerWaalsContact O-N 3.1Å; Y59-M62 VanDerWaalsContact O-CB 3.26Å; Y59-M62 WeakPolarHBondContact O-CB 3.14Å; Y59-M62 PolarHBondContact O-N 3.17Å
60S83.2Confident74.6Confident58 Ų58117 Ų11741%0.40659%0.589SS.*G310 helixtrans-53.2-32.6178.264.10000112.6D58 M62 N63D58-S60 PolarHBondContact O-N 3.29Å; D58-S60 WeakPolarHBondContact OD1-CA 3.38Å; D58-S60 WeakPolarHBondContact OD1-CB 3.46Å; D58-S60 PolarHBondContact OD1-N 3.43Å; D58-S60 PolarHBondContact OD1-OG 3.17Å; D58-S60 PolarHBondContact OD2-OG 3.13Å; S60-M62 PolarHBondContact O-N 2.66Å; S60-M62 VanDerWaalsContact O-N 3.14Å; S60-N63 WeakPolarHBondContact O-CB 3.49Å; S60-N63 PolarHBondContact O-N 2.67Å
61F82.9Confident75.8Confident51 Ų51118.5 Ų118.522%0.22459%0.59CS.*G310 helixtrans-60-24.2175.769.9-90.9000113.5D58 Y59 N63 L64 R69 L72 F73D58-F61 VanDerWaalsContact O-CD1 3.3Å; D58-F61 WeakPolarHBondContact O-CD1 3.48Å; D58-F61 WeakPolarHBondContact O-CE1 3.3Å; Y59-F61 HydrophobicContact CD1-CE1 4.16Å; Y59-F61 HydrophobicContact CD1-CZ 4.19Å; Y59-F61 PolarHBondContact O-N 2.65Å; Y59-F61 VanDerWaalsContact O-N 3.1Å; F61-N63 PolarHBondContact O-N 3.37Å; F61-L64 HydrophobicContact CB-CD1 4.12Å; F61-L64 VanDerWaalsContact O-CB 3.27Å; F61-L64 WeakPolarHBondContact O-CB 3.29Å; F61-L64 PolarHBondContact O-N 3.3Å; F61-R69 HydrophobicContact CD2-CG 4.36Å; F61-R69 WeakPolarHBondContact O-CD 3.25Å; F61-R69 WeakPolarHBondContact O-CG 3.27Å; F61-L72 HydrophobicContact CB-CD1 3.37Å; F61-L72 HydrophobicContact CG-CD1 4.18Å; F61-F73 HydrophobicContact CD2-CZ 4.47Å; F61-F73 HydrophobicContact CE2-CZ 4.02Å
62M81.9Confident76.7Confident99 Ų99115.5 Ų115.549%0.48857%0.574SS.*G310 helixtrans-64.8-24.3176.3-69.6-63.5-7400112.7Y59 S60 L64Y59-M62 VanDerWaalsContact O-CB 3.26Å; Y59-M62 WeakPolarHBondContact O-CB 3.14Å; Y59-M62 PolarHBondContact O-N 3.17Å; S60-M62 PolarHBondContact O-N 2.66Å; S60-M62 VanDerWaalsContact O-N 3.14Å; M62-L64 VanDerWaalsContact C-N 3.28Å
63N89.6Confident77.4Confident144 Ų144118.7 Ų118.777%0.7757%0.573SS**G310 helixtrans-77-15.1174.1-60.2-35.7000112.6S60 F61S60-N63 WeakPolarHBondContact O-CB 3.49Å; S60-N63 PolarHBondContact O-N 2.67Å; F61-N63 PolarHBondContact O-N 3.37Å
64L85.3Confident77.9Confident59 Ų59117.1 Ų117.131%0.30957%0.569SS.*SBendtrans-72.8145.8179-61.1171.2000111F61 M62 E68 R69 L72F61-L64 HydrophobicContact CB-CD1 4.12Å; F61-L64 VanDerWaalsContact O-CB 3.27Å; F61-L64 WeakPolarHBondContact O-CB 3.29Å; F61-L64 PolarHBondContact O-N 3.3Å; M62-L64 VanDerWaalsContact C-N 3.28Å; L64-E68 HydrophobicContact CB-CB 4.12Å; L64-R69 HydrophobicContact CB-CG 3.91Å; L64-R69 PolarHBondContact O-NE 3.04Å; L64-R69 PolarHBondContact O-NH2 2.83Å; L64-L72 HydrophobicContact CD1-CD1 3.9Å
65P88.1Confident77.7Confident79 Ų79114.5 Ų114.551%0.51356%0.562SS.*  trans-49.5146166.1-26.634.3000111.8R67 E68 R69P65-R67 PolarHBondContact O-N 3.07Å; P65-R67 VanDerWaalsContact O-N 3.09Å; P65-E68 WeakPolarHBondContact CD-OE2 3.25Å; P65-E68 WeakPolarHBondContact O-CA 3.48Å; P65-E68 PolarHBondContact O-N 2.89Å; P65-R69 PolarHBondContact O-N 2.69Å
66V81.2Confident77.1Confident82 Ų82110.1 Ų110.150%0.49757%0.565SS.*Hα-helixtrans-53.1-38.1-176.6176.70000112.3E68 R69 R70V66-E68 VanDerWaalsContact C-N 3.29Å; V66-E68 PolarHBondContact O-N 3.11Å; V66-R69 PolarHBondContact O-N 3.33Å; V66-R70 WeakPolarHBondContact O-CG 3.47Å; V66-R70 PolarHBondContact O-N 2.69Å
67R81.1Confident75.9Confident208 Ų208104 Ų10479%0.78555%0.552SS**Hα-helixtrans-61.1-37.1177.3-175.1-176.4-68.7177.2-1.1112.3P65P65-R67 PolarHBondContact O-N 3.07Å; P65-R67 VanDerWaalsContact O-N 3.09Å
68E82.3Confident74.8Confident93 Ų93108 Ų10844%0.43557%0.565SS.*Hα-helixtrans-79.9-40.2-179.3-68.1-177.8176.600111.4L64 P65 V66 R70 K71L64-E68 HydrophobicContact CB-CB 4.12Å; P65-E68 WeakPolarHBondContact CD-OE2 3.25Å; P65-E68 WeakPolarHBondContact O-CA 3.48Å; P65-E68 PolarHBondContact O-N 2.89Å; V66-E68 VanDerWaalsContact C-N 3.29Å; V66-E68 PolarHBondContact O-N 3.11Å; E68-R70 VanDerWaalsContact C-N 3.32Å; E68-R70 PolarHBondContact O-N 3.19Å; E68-K71 WeakPolarHBondContact O-CB 3.09Å; E68-K71 PolarHBondContact O-N 3Å
69R83Confident73.7Confident65 Ų65107.6 Ų107.625%0.24557%0.569CS.*Hα-helixtrans-55.5-44.1173.7-79-172.4-95-179.5-3.1113.5F61 L64 P65 V66 K71 L72 F73F61-R69 HydrophobicContact CD2-CG 4.36Å; F61-R69 WeakPolarHBondContact O-CD 3.25Å; F61-R69 WeakPolarHBondContact O-CG 3.27Å; L64-R69 HydrophobicContact CB-CG 3.91Å; L64-R69 PolarHBondContact O-NE 3.04Å; L64-R69 PolarHBondContact O-NH2 2.83Å; P65-R69 PolarHBondContact O-N 2.69Å; V66-R69 PolarHBondContact O-N 3.33Å; R69-K71 PolarHBondContact O-N 3.19Å; R69-L72 WeakPolarHBondContact O-CB 3.23Å; R69-L72 PolarHBondContact O-N 3.16Å; R69-F73 VanDerWaalsContact O-CD2 3.26Å; R69-F73 WeakPolarHBondContact O-CD2 3.5Å
70R76.4Confident72.3Confident170 Ų170106.3 Ų106.364%0.64258%0.579SS**Hα-helixtrans-58.1-31.3179.7-74.3179.7-179.6-177.7-0.2112.1V66 E68 L72 F73 L74V66-R70 WeakPolarHBondContact O-CG 3.47Å; V66-R70 PolarHBondContact O-N 2.69Å; E68-R70 VanDerWaalsContact C-N 3.32Å; E68-R70 PolarHBondContact O-N 3.19Å; R70-L72 VanDerWaalsContact C-N 3.28Å; R70-L72 PolarHBondContact O-N 2.83Å; R70-F73 PolarHBondContact O-N 3.12Å; R70-L74 WeakPolarHBondContact O-CB 3.42Å; R70-L74 WeakPolarHBondContact O-CD1 3.15Å; R70-L74 PolarHBondContact O-N 3.05Å
71K80.4Confident70.5Confident144 Ų144107.4 Ų107.463%0.62659%0.587SS**Hα-helixtrans-67.4-28177.5-60.2-178.5179.9-179.20113E68 R69 F73E68-K71 WeakPolarHBondContact O-CB 3.09Å; E68-K71 PolarHBondContact O-N 3Å; R69-K71 PolarHBondContact O-N 3.19Å; K71-F73 VanDerWaalsContact C-N 3.34Å
72L76.4Confident68.8Low103 Ų103112 Ų11254%0.53961%0.612SS.*Hα-helixtrans-69.7-34.3177-58.4175.9000111.8F61 L64 R69 R70F61-L72 HydrophobicContact CB-CD1 3.37Å; F61-L72 HydrophobicContact CG-CD1 4.18Å; L64-L72 HydrophobicContact CD1-CD1 3.9Å; R69-L72 WeakPolarHBondContact O-CB 3.23Å; R69-L72 PolarHBondContact O-N 3.16Å; R70-L72 VanDerWaalsContact C-N 3.28Å; R70-L72 PolarHBondContact O-N 2.83Å
73F73.9Confident66.9Low149 Ų149115.3 Ų115.365%0.65463%0.626SS**Hα-helixtrans-86.6-24177-58.7-73.5000112.9F61 R69 R70 K71 G75F61-F73 HydrophobicContact CD2-CZ 4.47Å; F61-F73 HydrophobicContact CE2-CZ 4.02Å; R69-F73 VanDerWaalsContact O-CD2 3.26Å; R69-F73 WeakPolarHBondContact O-CD2 3.5Å; R70-F73 PolarHBondContact O-N 3.12Å; K71-F73 VanDerWaalsContact C-N 3.34Å; F73-G75 PolarHBondContact O-N 2.71Å; F73-G75 VanDerWaalsContact O-N 3.12Å
74L67.3Low64.6Low132 Ų132117.5 Ų117.569%0.69162%0.624SS**SBendtrans-84.946.3171.8-86.871.8000110.4R70 G76R70-L74 WeakPolarHBondContact O-CB 3.42Å; R70-L74 WeakPolarHBondContact O-CD1 3.15Å; R70-L74 PolarHBondContact O-N 3.05Å; L74-G76 PolarHBondContact O-N 2.83Å; L74-G76 VanDerWaalsContact O-N 3.13Å
75G53.4Low62.1Low53 Ų53117.3 Ų117.355%0.54664%0.636SS.*  trans-48.3124.9173.300000108.8F73 G77F73-G75 PolarHBondContact O-N 2.71Å; F73-G75 VanDerWaalsContact O-N 3.12Å; G75-G77 PolarHBondContact O-N 2.81Å
76G52.2Low59.9Low89 Ų89123.3 Ų123.392%0.91865%0.65SS**SBendtrans-65.526.4-176.700000114.6L74L74-G76 PolarHBondContact O-N 2.83Å; L74-G76 VanDerWaalsContact O-N 3.13Å
77G46.1Very low58Low60 Ų60126.7 Ų126.762%0.61966%0.664SS**SBendtrans-69.9127.7163.600000108.4G75G75-G77 PolarHBondContact O-N 2.81Å
78Q50.4Low56Low168 Ų168124.3 Ų124.379%0.78566%0.662SS**  trans-42.2132165.6-169.8173.72.500108.4
79P52.2Low53.9Low103 Ų103125.2 Ų125.267%0.66968%0.679SS**  trans-49.2137.3175.721.9-32.9000107.2S81P79-S81 VanDerWaalsContact C-N 3.34Å; P79-S81 PolarHBondContact O-N 2.78Å
80P50.1Low52.3Low124 Ų124130 Ų13081%0.80571%0.708SS**  trans-50.1108.3179.217.9-29.1000106.9I82P80-I82 PolarHBondContact O-N 3.4Å
81S46.6Very low50.5Low81 Ų81128 Ų12857%0.56672%0.715SS**  trans-56.7113.8171.4164.70000103.1P79 Q83P79-S81 VanDerWaalsContact C-N 3.34Å; P79-S81 PolarHBondContact O-N 2.78Å; S81-Q83 PolarHBondContact O-N 3.44Å
82I46.2Very low48.6Very low148 Ų148128.6 Ų128.676%0.75972%0.722SS**  trans-64.186164.6-58.7169.3000102.9P80 R84P80-I82 PolarHBondContact O-N 3.4Å; I82-R84 HydrophobicContact CG2-CG 4.32Å; I82-R84 PolarHBondContact O-N 3.24Å
83Q41.6Very low47.2Very low167 Ų167129.7 Ų129.778%0.7874%0.735SS**  trans-5997.8161.5-68.2-175.4-0.700102.1S81 G85S81-Q83 PolarHBondContact O-N 3.44Å; Q83-G85 PolarHBondContact O-N 3.23Å
84R41.6Very low45.6Very low191 Ų191133.7 Ų133.772%0.72175%0.746SS**  trans-62.471.4162-75.4-175174.8-131.82105.3I82 Y86I82-R84 HydrophobicContact CG2-CG 4.32Å; I82-R84 PolarHBondContact O-N 3.24Å; R84-Y86 HydrophobicContact CB-CD2 4.42Å; R84-Y86 HydrophobicContact CB-CE2 4.19Å; R84-Y86 WeakPolarHBondContact O-CD2 3.09Å; R84-Y86 PolarHBondContact O-N 2.81Å
85G34.6Very low44.4Very low55 Ų55135.9 Ų135.957%0.56775%0.75SS**  trans-65.196.3164.900000104.4Q83 L87Q83-G85 PolarHBondContact O-N 3.23Å; G85-L87 PolarHBondContact O-N 2.92Å
86Y41.4Very low43.9Very low204 Ų204142.8 Ų142.880%0.876%0.76SS**THydrogen-bonded Turntrans-58.322.8179.8-86.2-84.6000114.6R84R84-Y86 HydrophobicContact CB-CD2 4.42Å; R84-Y86 HydrophobicContact CB-CE2 4.19Å; R84-Y86 WeakPolarHBondContact O-CD2 3.09Å; R84-Y86 PolarHBondContact O-N 2.81Å
87L41Very low43.2Very low153 Ų153144.9 Ų144.980%0.80175%0.75SS**THydrogen-bonded Turntrans-136.80.4-167.1-87.2151.3000116.1G85G85-L87 PolarHBondContact O-N 2.92Å
88H39.6Very low42.9Very low159 Ų159149.3 Ų149.374%0.73676%0.759SS**SBendtrans-117.882.6172.7-62.990.6000110.4L90H88-L90 PolarHBondContact O-N 3.05Å
89S37.7Very low42.5Very low112 Ų112147.3 Ų147.378%0.78376%0.758SS**  trans16.244.7147.264.40000120.1T91S89-T91 PolarHBondContact O-N 2.8Å
90L48.6Very low41.8Very low164 Ų164148.6 Ų148.686%0.85976%0.759SS**  trans-80.282.5155.3-66.2175.6000105.9H88 M92H88-L90 PolarHBondContact O-N 3.05Å; L90-M92 PolarHBondContact O-N 2.96Å
91T38.6Very low41Very low128 Ų128148.6 Ų148.679%0.78575%0.753SS**  trans-36.7103.9168.1-59.80000107.8S89S89-T91 PolarHBondContact O-N 2.8Å
92M40.4Very low40.6Very low157 Ų157152.6 Ų152.677%0.77376%0.76SS**  trans-52.1132.6178.7-73.6-110.1-77.200106.8L90 R94L90-M92 PolarHBondContact O-N 2.96Å; M92-R94 PolarHBondContact O-N 2.98Å
93P48.4Very low40.2Very low127 Ų127153.1 Ų153.183%0.82576%0.759SS**  trans-52.2105.5175.1-23.131.3000107.6K95P93-K95 PolarHBondContact O-N 3.2Å
94R40.5Very low39.9Very low232 Ų232152.2 Ų152.288%0.87576%0.76SS**  trans-58.5119.1178.6-169.3179.7-147.9158.85.7105M92 R96M92-R94 PolarHBondContact O-N 2.98Å; R94-R96 PolarHBondContact O-N 2.96Å
95K40.6Very low39.7Very low179 Ų179152.5 Ų152.578%0.77876%0.761SS**  trans-46.1109.8173.3-161.8-176.4-176.2-169.90105.5P93 N97P93-K95 PolarHBondContact O-N 3.2Å; K95-N97 VanDerWaalsContact C-N 3.33Å; K95-N97 PolarHBondContact O-N 2.96Å
96R43.2Very low40Very low198 Ų198160.6 Ų160.675%0.74778%0.776SS**  trans-62.3108176.3-73.6-175177.91743.8103.2R94 D98R94-R96 PolarHBondContact O-N 2.96Å; R96-D98 PolarHBondContact O-N 3.11Å
97N38.6Very low40.1Very low133 Ų133159.2 Ų159.271%0.71178%0.777SS**  trans-51.9131.9165-75.6-17.1000105.2K95 V99K95-N97 VanDerWaalsContact C-N 3.33Å; K95-N97 PolarHBondContact O-N 2.96Å; N97-V99 HydrophobicContact CB-CG2 4.11Å; N97-V99 PolarHBondContact O-N 3.41Å
98D39.6Very low39.9Very low152 Ų152157.8 Ų157.881%0.81377%0.774SS**  trans-64.367.3176.5-57.6-59.9000108.5R96 N100R96-D98 PolarHBondContact O-N 3.11Å; D98-N100 VanDerWaalsContact C-N 3.26Å; D98-N100 PolarHBondContact O-N 3.07Å; D98-N100 VanDerWaalsContact O-N 3.08Å
99V42.3Very low40Very low126 Ų126158 Ų15876%0.76478%0.776SS**  trans-81.493.9169.9-174.80000103.7N97N97-V99 HydrophobicContact CB-CG2 4.11Å; N97-V99 PolarHBondContact O-N 3.41Å
100N35.8Very low40.2Very low130 Ų130157.7 Ų157.770%0.69577%0.773SS**  trans-20.4151.4155.6-67.9-57.7000113.7D98D98-N100 VanDerWaalsContact C-N 3.26Å; D98-N100 PolarHBondContact O-N 3.07Å; D98-N100 VanDerWaalsContact O-N 3.08Å
101N33.8Very low39.8Very low125 Ų125158.3 Ų158.367%0.66877%0.772SS**  trans87.999.2150.5-70.7-6.6000117.3
102F38.7Very low39.6Very low165 Ų165160.9 Ų160.972%0.72477%0.769SS**  trans71.5111.1132-60-63.4000118.2
103H37.2Very low39.2Very low159 Ų159157.4 Ų157.474%0.73677%0.773SS**  trans74.7145143-70.175.8000118.1
104N36.3Very low38.4Very low148 Ų148153.1 Ų153.179%0.79175%0.752SS**  trans89.764.2166.3-47.9-37.8000116.2
105R37.3Very low38.2Very low197 Ų197148.7 Ų148.774%0.74375%0.751SS**SBendtrans-150.593.5141.6-107.2171.7-148.4-167.36109.1E107R105-E107 PolarHBondContact O-N 3.16Å
106Y41Very low38.3Very low225 Ų225143.2 Ų143.288%0.88273%0.73SS**  trans22.977.4155.2-54.7-81000113.7T108Y106-T108 PolarHBondContact O-N 3.26Å
107E42.3Very low38.2Very low175 Ų175141.3 Ų141.382%0.81874%0.735SS**  trans-60.495158.6-74.8175.3170.900105.9R105 Q109R105-E107 PolarHBondContact O-N 3.16Å; E107-Q109 PolarHBondContact O-N 3.24Å
108T38.4Very low38.5Very low123 Ų123141.6 Ų141.676%0.75574%0.736SS**  trans-53.6102.3147.746.50000104.3Y106 S110Y106-T108 PolarHBondContact O-N 3.26Å; T108-S110 PolarHBondContact O-N 3.26Å
109Q40.4Very low38.5Very low163 Ų163142 Ų14276%0.76273%0.731SS**  trans-6087.9176.9-62.3-167.91.800107.1E107 E111E107-Q109 PolarHBondContact O-N 3.24Å; Q109-E111 VanDerWaalsContact C-N 3.26Å; Q109-E111 PolarHBondContact O-N 3.38Å; Q109-E111 VanDerWaalsContact O-N 3.17Å
110S42.5Very low38.2Very low105 Ų105138.6 Ų138.673%0.73472%0.721SS**  trans-73.799.9156.438.50000103.2T108 Y112T108-S110 PolarHBondContact O-N 3.26Å; S110-Y112 PolarHBondContact O-N 3.11Å
111E40.2Very low38.4Very low178 Ų178144.7 Ų144.783%0.83273%0.734SS**SBendtrans-57.976.5167.2-65.4173.517900108.6Q109Q109-E111 VanDerWaalsContact C-N 3.26Å; Q109-E111 PolarHBondContact O-N 3.38Å; Q109-E111 VanDerWaalsContact O-N 3.17Å
112Y34.3Very low38.7Very low182 Ų182145.8 Ų145.871%0.71474%0.74SS**  trans-178.475.8150.8-126.1-108.5000109.2S110 G114S110-Y112 PolarHBondContact O-N 3.11Å; Y112-G114 PolarHBondContact O-N 3.32Å
113G30.8Very low38.7Very low83 Ų83141.8 Ų141.886%0.85674%0.738SS**  trans-80.344.3156.300000110.4T115G113-T115 PolarHBondContact O-N 2.78Å
114G32.5Very low38.8Very low38 Ų38140 Ų14039%0.39274%0.74SS.*  trans-75.9120.8176.600000109.2Y112 D116Y112-G114 PolarHBondContact O-N 3.32Å; G114-D116 WeakPolarHBondContact CA-OD1 3.46Å; G114-D116 PolarHBondContact O-N 2.94Å; G114-D116 VanDerWaalsContact O-OD1 3.05Å
115T37.4Very low39.1Very low138 Ų138138 Ų13885%0.84773%0.728SS**  trans-79.626.1171.935.80000111.3G113 N117G113-T115 PolarHBondContact O-N 2.78Å; T115-N117 PolarHBondContact O-N 3.16Å; T115-N117 VanDerWaalsContact O-N 3.17Å
116D41.6Very low39Very low65 Ų65134.2 Ų134.235%0.34873%0.727SS.*  trans-75.8102.6172.845.6-39.8000108.8G114 N118G114-D116 WeakPolarHBondContact CA-OD1 3.46Å; G114-D116 PolarHBondContact O-N 2.94Å; G114-D116 VanDerWaalsContact O-OD1 3.05Å; D116-N118 PolarHBondContact O-N 2.84Å
117N41.4Very low38.7Very low158 Ų158126.6 Ų126.685%0.84571%0.705SS**THydrogen-bonded Turntrans-55.923170.8-72-40.8000114.9T115T115-N117 PolarHBondContact O-N 3.16Å; T115-N117 VanDerWaalsContact O-N 3.17Å
118N44.7Very low38.4Very low138 Ų138123.4 Ų123.474%0.73870%0.698SS**THydrogen-bonded Turntrans-107.5-2.6-175.7-81.210.2000114.4D116 G120D116-N118 PolarHBondContact O-N 2.84Å; N118-G120 VanDerWaalsContact C-N 3.29Å
119F40.1Very low38.2Very low162 Ų162125.8 Ų125.871%0.71169%0.693SS**  trans-95.926.6166.8-71.1-79.1000112.8W121F119-W121 PolarHBondContact O-N 3.08Å
120G36.6Very low38.2Very low53 Ų53121.5 Ų121.555%0.54669%0.686SS.*SBendtrans-61.4130.6163.900000108.7N118 D122N118-G120 VanDerWaalsContact C-N 3.29Å; G120-D122 PolarHBondContact O-N 2.93Å; G120-D122 VanDerWaalsContact O-N 3.07Å
121W38.3Very low37.7Very low258 Ų258125.9 Ų125.998%0.97769%0.686SS**  trans-34.1119.3166.9-67.790.1000109.5F119 A123F119-W121 PolarHBondContact O-N 3.08Å; W121-A123 PolarHBondContact O-N 3.33Å
122D40Very low37.4Very low149 Ų149124.2 Ų124.280%0.79768%0.678SS**  trans-41.5128.5-178.1-76.4-45.7000109.5G120G120-D122 PolarHBondContact O-N 2.93Å; G120-D122 VanDerWaalsContact O-N 3.07Å
123A40.2Very low37.5Very low81 Ų81121.9 Ų121.967%0.66968%0.678SS**  trans-52137.3-17900000109.2W121 I125W121-A123 PolarHBondContact O-N 3.33Å; A123-I125 PolarHBondContact O-N 3.08Å
124P39.4Very low37.5Very low120 Ų120127.6 Ų127.678%0.77967%0.674SS**  trans-53.4110.8-176.518.7-30.6000109.9T126P124-T126 PolarHBondContact O-N 2.82Å; P124-T126 PolarHBondContact O-OG1 3.1Å
125I42.6Very low37.7Very low107 Ų107131 Ų13155%0.54969%0.692SS.*  trans-59.3106.3178.8-61.4170000106.6A123 P127 W356A123-I125 PolarHBondContact O-N 3.08Å; I125-P127 VanDerWaalsContact O-CD 3.23Å; I125-P127 WeakPolarHBondContact O-CD 3.5Å; I125-W356 HydrophobicContact CB-CZ3 4.45Å; I125-W356 HydrophobicContact CD1-CE3 4.48Å; I125-W356 HydrophobicContact CD1-CZ3 4.26Å; I125-W356 HydrophobicContact CG2-CE3 4.25Å; I125-W356 HydrophobicContact CG2-CZ3 4.09Å
126T33.7Very low37.6Very low118 Ų118129.4 Ų129.472%0.72468%0.682SS**  trans-76.3115.5176.8-44.40000107.1P124 T128P124-T126 PolarHBondContact O-N 2.82Å; P124-T126 PolarHBondContact O-OG1 3.1Å; T126-T128 PolarHBondContact O-N 2.98Å
127P36.4Very low37.3Very low64 Ų64133.1 Ų133.142%0.41670%0.702SS.*  trans-65.5112179.625.2-31.7000109.3I125 W129I125-P127 VanDerWaalsContact O-CD 3.23Å; I125-P127 WeakPolarHBondContact O-CD 3.5Å; P127-W129 PolarHBondContact O-N 3.05Å
128T35.3Very low36.8Very low109 Ų109132.1 Ų132.167%0.66970%0.702SS**  trans-78.5115.5169.2-2.20000109.3T126 A130T126-T128 PolarHBondContact O-N 2.98Å; T128-A130 PolarHBondContact O-N 2.88Å
129W34.6Very low36.3Very low173 Ų173130.2 Ų130.266%0.65570%0.699SS**  trans-79.2107174.5-59.592.1000109.6P127 T352P127-W129 PolarHBondContact O-N 3.05Å; W129-T352 HydrophobicContact CE3-CG2 4.15Å; W129-T352 HydrophobicContact CZ3-CG2 4.3Å
130A39.9Very low35.6Very low73 Ų73130.7 Ų130.760%0.60370%0.704SS**  trans-87.6123.6168.800000109.2T128 E132T128-A130 PolarHBondContact O-N 2.88Å; A130-E132 PolarHBondContact O-N 2.85Å
131R31.8Very low35.2Very low196 Ų196134.3 Ų134.374%0.7472%0.717SS**  trans-81.697.2174.5-167-175.9-151.1-161.85.2108.7
132E34.6Very low34.7Very low143 Ų143127.5 Ų127.567%0.66870%0.704SS**  trans-94.3108.9174.5-139.5-178.9-15000109.2A130 R134A130-E132 PolarHBondContact O-N 2.85Å; E132-R134 PolarHBondContact O-N 3.07Å
133N36.6Very low34Very low134 Ų134130.4 Ų130.472%0.71771%0.71SS**  trans-83.296175.7-70.7-22.7000108.9
134R30.7Very low33.3Very low202 Ų202130.7 Ų130.776%0.76271%0.707SS**  trans-87.2115.7163.3-79.6-173.8-179.9-155.4-2.7109.1E132 T136E132-R134 PolarHBondContact O-N 3.07Å; R134-T136 PolarHBondContact O-N 3.13Å; R134-T136 VanDerWaalsContact O-N 3.17Å
135S36.9Very low32.5Very low110 Ų110137 Ų13777%0.76972%0.715SS**  trans-71.6105.2163.5670000108N137S135-N137 PolarHBondContact O-N 2.98Å
136T34.9Very low31.7Very low105 Ų105135.3 Ų135.364%0.64471%0.713SS**  trans-77.8105.5167.748.80000107.7R134 T138R134-T136 PolarHBondContact O-N 3.13Å; R134-T136 VanDerWaalsContact O-N 3.17Å; T136-T138 PolarHBondContact O-N 3.26Å; T136-T138 VanDerWaalsContact O-N 3.12Å
137N34.6Very low31.2Very low142 Ų142136.4 Ų136.476%0.75972%0.72SS**  trans-62.6113.2154.7-74.9-18.4000105.7S135 S139S135-N137 PolarHBondContact O-N 2.98Å; N137-S139 PolarHBondContact O-N 3.27Å
138T32.1Very low30.6Very low138 Ų138141.8 Ų141.885%0.84774%0.737SS**  trans-68.470.1173.445.30000109.1T136T136-T138 PolarHBondContact O-N 3.26Å; T136-T138 VanDerWaalsContact O-N 3.12Å
139S32.4Very low30Very low98 Ų98142.6 Ų142.669%0.68574%0.742SS**  trans-88.3120.1156.753.50000106.3N137N137-S139 PolarHBondContact O-N 3.27Å
140E25.6Very low29.5Very low171 Ų171142.6 Ų142.680%0.79975%0.747SS**  trans-43.8144.8169.9-72.8-172.4157.400110.6V142E140-V142 VanDerWaalsContact C-N 3.3Å; E140-V142 PolarHBondContact O-N 3.17Å
141P29.2Very low28.7Very low129 Ų129144.5 Ų144.584%0.83876%0.756SS**  trans-64.787.8-17326.2-34.3000110.9K143P141-K143 PolarHBondContact O-N 3.25Å
142V28.1Very low28.3Very low116 Ų116142.4 Ų142.470%0.70376%0.758SS**  trans-65.2119.6163.3-179.50000105.8E140 S144E140-V142 VanDerWaalsContact C-N 3.3Å; E140-V142 PolarHBondContact O-N 3.17Å; V142-S144 PolarHBondContact O-N 3.12Å; V142-S144 PolarHBondContact O-OG 3.45Å
143K24.3Very low27.7Very low209 Ų209141 Ų14191%0.90977%0.765SS**  trans-59.974.5170.6-75.7177.9176.8176.30109.6P141 R145P141-K143 PolarHBondContact O-N 3.25Å; K143-R145 PolarHBondContact O-N 3.03Å
144S25.2Very low27.2Very low88 Ų88141.4 Ų141.462%0.61577%0.772SS**  trans-85.996176.3-58.90000106.4V142 S146V142-S144 PolarHBondContact O-N 3.12Å; V142-S144 PolarHBondContact O-OG 3.45Å; S144-S146 PolarHBondContact O-N 3.46Å
145R22.3Very low27Very low251 Ų251134.3 Ų134.395%0.94776%0.762SS**  trans-63.377.8165.9-179.5-179.7164.5-165.9-4.3107.6K143K143-R145 PolarHBondContact O-N 3.03Å
146S26.1Very low26.7Very low73 Ų73134.8 Ų134.851%0.5176%0.762SS.*  trans-119.299.8179.31720000107.8S144 K148S144-S146 PolarHBondContact O-N 3.46Å; S146-K148 VanDerWaalsContact C-N 3.25Å; S146-K148 PolarHBondContact O-N 3.33Å
147T23.3Very low26.3Very low140 Ų140134.6 Ų134.686%0.85977%0.765SS**  trans-62.984.9167.3-9.10000108.1
148K24.2Very low26Very low177 Ų177136.5 Ų136.577%0.7777%0.769SS**  trans-96.4103.5171-85.8-175.5178.7-170.60108.6S146 F150S146-K148 VanDerWaalsContact C-N 3.25Å; S146-K148 PolarHBondContact O-N 3.33Å; K148-F150 PolarHBondContact O-N 3.28Å
149T22.8Very low25.7Very low126 Ų126138.6 Ų138.677%0.77377%0.767SS**  trans-60124.3168-35.50000108.4S151T149-S151 PolarHBondContact O-N 3.03Å
150F24.4Very low25.3Very low174 Ų174139.2 Ų139.276%0.76377%0.771SS**  trans-83.7110.8175.231.4-89.2000108.5K148 L152K148-F150 PolarHBondContact O-N 3.28Å; F150-L152 HydrophobicContact CD2-CD1 4.45Å; F150-L152 PolarHBondContact O-N 3.43Å
151S22Very low25.4Very low113 Ų113140.5 Ų140.579%0.7977%0.774SS**  trans-82.4111.1170.6-48.10000108.4T149 S153T149-S151 PolarHBondContact O-N 3.03Å; S151-S153 PolarHBondContact O-N 3.13Å
152L23.3Very low25Very low151 Ų151142 Ų14279%0.79177%0.77SS**  trans-75.396.1167.5-75.8106.5000108.2F150 T154F150-L152 HydrophobicContact CD2-CD1 4.45Å; F150-L152 PolarHBondContact O-N 3.43Å; L152-T154 PolarHBondContact O-N 3.31Å
153S23.7Very low24.7Very low115 Ų115143.3 Ų143.380%0.80477%0.768SS**  trans-80102.2166.452.70000109S151 G155S151-S153 PolarHBondContact O-N 3.13Å; S153-G155 PolarHBondContact O-N 3.36Å
154T25.2Very low24.6Very low141 Ų141141 Ų14187%0.86576%0.761SS**  trans-74.673165.449.80000108.6L152L152-T154 PolarHBondContact O-N 3.31Å
155G26.2Very low24.5Very low54 Ų54144.6 Ų144.656%0.55777%0.766SS**  trans-107.9120.117200000109.4S153 S157S153-G155 PolarHBondContact O-N 3.36Å; G155-S157 VanDerWaalsContact C-N 3.33Å; G155-S157 PolarHBondContact O-N 3.04Å
156P30.6Very low24.6Very low120 Ų120137.5 Ų137.578%0.77975%0.75SS**  trans-71.290175.429.5-31.2000108.4E158P156-E158 VanDerWaalsContact C-N 3.26Å; P156-E158 PolarHBondContact O-N 3.14Å; P156-E158 VanDerWaalsContact O-N 3.07Å
157S27.4Very low24.5Very low101 Ų101142.2 Ų142.271%0.70676%0.764SS**  trans-79.986.4164.378.60000107.7G155 K159G155-S157 VanDerWaalsContact C-N 3.33Å; G155-S157 PolarHBondContact O-N 3.04Å; S157-K159 PolarHBondContact O-N 2.7Å
158E27.6Very low24.6Very low181 Ų181145.2 Ų145.285%0.84676%0.762SS**  trans-6183.2162.8-68.5179167.600108.7P156 S160P156-E158 VanDerWaalsContact C-N 3.26Å; P156-E158 PolarHBondContact O-N 3.14Å; P156-E158 VanDerWaalsContact O-N 3.07Å; E158-S160 PolarHBondContact O-N 3.48Å
159K26.4Very low24.7Very low183 Ų183143 Ų14380%0.79676%0.763SS**  trans-83.797.3159.3-77.8-173.4177.8-178.40106.6S157 F161S157-K159 PolarHBondContact O-N 2.7Å; K159-F161 PolarHBondContact O-N 3.07Å
160S23.2Very low24.8Very low110 Ų110141.4 Ų141.477%0.76976%0.762SS**  trans-49.3103.2166.546.50000109.4E158 Q162E158-S160 PolarHBondContact O-N 3.48Å; S160-Q162 PolarHBondContact O-N 3.46Å; S160-Q162 VanDerWaalsContact O-N 3.11Å
161F27.1Very low24.9Very low199 Ų199136 Ų13687%0.87376%0.755SS**  trans-7991.9175.4-147-94000107K159 Q163K159-F161 PolarHBondContact O-N 3.07Å; F161-Q163 PolarHBondContact O-N 2.9Å
162Q21.4Very low25.5Very low161 Ų161136.4 Ų136.475%0.75276%0.755SS**  trans-70.5100.7171.7-83.5-158.9-16.200108.9S160 Q164S160-Q162 PolarHBondContact O-N 3.46Å; S160-Q162 VanDerWaalsContact O-N 3.11Å; Q162-Q164 VanDerWaalsContact C-N 3.34Å; Q162-Q164 PolarHBondContact O-N 2.96Å
163Q23Very low26.1Very low142 Ų142135.2 Ų135.266%0.66476%0.756SS**  trans-73.788.4170.4-165.5174.310.500108.2F161 F165F161-Q163 PolarHBondContact O-N 2.9Å; Q163-F165 HydrophobicContact CB-CE2 4.39Å; Q163-F165 HydrophobicContact CG-CD2 4.43Å; Q163-F165 HydrophobicContact CG-CE2 3.92Å; Q163-F165 HydrophobicContact CG-CZ 4.08Å; Q163-F165 PolarHBondContact O-N 2.84Å; Q163-F165 VanDerWaalsContact O-N 3.16Å
164Q21.6Very low26.4Very low160 Ų160134.9 Ų134.975%0.74875%0.754SS**  trans-72.6104.9171.7-72.7-173.7-28.100108.8Q162 T166Q162-Q164 VanDerWaalsContact C-N 3.34Å; Q162-Q164 PolarHBondContact O-N 2.96Å; Q164-T166 PolarHBondContact O-N 3.28Å; Q164-T166 VanDerWaalsContact O-N 3.17Å
165F23.7Very low26.9Very low165 Ų165133.5 Ų133.572%0.72475%0.747SS**  trans-73.497.9166.6-69.7-88.2000108.2Q163 Q167Q163-F165 HydrophobicContact CB-CE2 4.39Å; Q163-F165 HydrophobicContact CG-CD2 4.43Å; Q163-F165 HydrophobicContact CG-CE2 3.92Å; Q163-F165 HydrophobicContact CG-CZ 4.08Å; Q163-F165 PolarHBondContact O-N 2.84Å; Q163-F165 VanDerWaalsContact O-N 3.16Å; F165-Q167 VanDerWaalsContact C-N 3.27Å; F165-Q167 PolarHBondContact O-N 2.78Å
166T24.6Very low27Very low101 Ų101142.5 Ų142.562%0.6277%0.765SS**  trans-74.589167.3-330000107.8Q164 Y168Q164-T166 PolarHBondContact O-N 3.28Å; Q164-T166 VanDerWaalsContact O-N 3.17Å; T166-Y168 HydrophobicContact CG2-CE2 4.31Å; T166-Y168 WeakPolarHBondContact O-CD2 3.46Å; T166-Y168 PolarHBondContact O-N 3.25Å; T166-Y168 VanDerWaalsContact O-N 3.1Å
167Q22.3Very low27Very low172 Ų172146.4 Ų146.480%0.80477%0.765SS**  trans-73.598.6172.3-1611759.300107.4F165 V169F165-Q167 VanDerWaalsContact C-N 3.27Å; F165-Q167 PolarHBondContact O-N 2.78Å; Q167-V169 PolarHBondContact O-N 3.19Å
168Y27Very low27Very low204 Ų204149.3 Ų149.380%0.877%0.773SS**  trans-66.299171.4-70-86.6000108.2T166 A170T166-Y168 HydrophobicContact CG2-CE2 4.31Å; T166-Y168 WeakPolarHBondContact O-CD2 3.46Å; T166-Y168 PolarHBondContact O-N 3.25Å; T166-Y168 VanDerWaalsContact O-N 3.1Å; Y168-A170 PolarHBondContact O-N 2.89Å
169V25Very low27.3Very low131 Ų131148.2 Ų148.279%0.79477%0.768SS**PPolyproline II helixtrans-62.7120.1165.9179.60000106.3Q167 G171Q167-V169 PolarHBondContact O-N 3.19Å; V169-G171 PolarHBondContact O-N 2.88Å
170A25.7Very low27.4Very low92 Ų92146.7 Ų146.776%0.7677%0.768SS**PPolyproline II helixtrans-52.2117.3178.900000109.1Y168Y168-A170 PolarHBondContact O-N 2.89Å
171G26.4Very low27.8Very low60 Ų60147.2 Ų147.262%0.61977%0.769SS**PPolyproline II helixtrans-56.9148.4176.700000110.9V169V169-G171 PolarHBondContact O-N 2.88Å
172P34.5Very low28.2Very low121 Ų121143.8 Ų143.879%0.78677%0.767SS**PPolyproline II helixtrans-58.2146.6-17722.3-31.9000111.6S174P172-S174 PolarHBondContact O-N 3.3Å
173P34.7Very low28.7Very low126 Ų126140.7 Ų140.782%0.81877%0.769SS**PPolyproline II helixtrans-59.2127.9-175.922.1-31.5000110.8
174S30.3Very low29.1Very low108 Ų108138.6 Ų138.676%0.75578%0.776SS**PPolyproline II helixtrans-56.1140.4178.4-51.30000111.1P172 R176P172-S174 PolarHBondContact O-N 3.3Å; S174-R176 PolarHBondContact O-N 3.39Å
175P35.5Very low29.4Very low112 Ų112135.3 Ų135.373%0.72777%0.77SS**PPolyproline II helixtrans-55.9128.4-178.7-23.432000111.3Y177P175-Y177 PolarHBondContact O-N 3.36Å
176R30Very low29.6Very low243 Ų243134.8 Ų134.892%0.91778%0.775SS**  trans-61.8100.5173.4-68.8-169.3179.6-1762.5108.8S174 N178S174-R176 PolarHBondContact O-N 3.39Å; R176-N178 VanDerWaalsContact C-N 3.34Å; R176-N178 PolarHBondContact O-N 2.75Å
177Y30.1Very low29.8Very low203 Ų203139 Ų13980%0.79678%0.781SS**  trans-69.2100.1164.6-95.4-89.9000108.4P175 Q179P175-Y177 PolarHBondContact O-N 3.36Å; Y177-Q179 PolarHBondContact O-N 2.77Å
178N27.9Very low30Very low161 Ų161139.5 Ų139.586%0.86178%0.781SS**  trans-79.484.4173.6-140.47.6000106.8R176R176-N178 VanDerWaalsContact C-N 3.34Å; R176-N178 PolarHBondContact O-N 2.75Å
179Q32.2Very low29.9Very low158 Ų158137.5 Ų137.574%0.73878%0.784SS**  trans-137.2107.3173.4-68.8-166.915.800111.1Y177Y177-Q179 PolarHBondContact O-N 2.77Å
180N28.3Very low29.9Very low151 Ų151138.2 Ų138.281%0.80778%0.783SS**  trans4.9134162.3-64.4-23000119.9
181P32.8Very low30Very low122 Ų122139.9 Ų139.979%0.79278%0.784SS**PPolyproline II helixtrans-68.5129.7179.228-33000111.7
182P35.6Very low30Very low126 Ų126145.2 Ų145.282%0.81879%0.793SS**PPolyproline II helixtrans-68.8150165.326.7-30.2000111.1
183A31.3Very low29.6Very low96 Ų96144.7 Ų144.779%0.79379%0.789SS**PPolyproline II helixtrans-54.3148.1-169.100000115.3S185A183-S185 PolarHBondContact O-N 2.79Å
184A31.3Very low29.3Very low99 Ų99147.7 Ų147.782%0.81879%0.789SS**  trans-49.997.8174.600000112.2
185S28.9Very low29.4Very low90 Ų90147.9 Ų147.963%0.62979%0.791SS**  trans-90.4111.6164.2-167.30000108.2A183 Y187A183-S185 PolarHBondContact O-N 2.79Å; S185-Y187 VanDerWaalsContact C-N 3.29Å; S185-Y187 PolarHBondContact O-N 2.77Å; S185-Y187 VanDerWaalsContact OG-CD2 3.25Å; S185-Y187 WeakPolarHBondContact OG-CD2 3.42Å; S185-Y187 WeakPolarHBondContact OG-CE2 3.26Å
186N28.2Very low29.1Very low154 Ų154149 Ų14982%0.82479%0.791SS**  trans-60.483.8174.8-72.3-45.5000110.8
187Y27.7Very low29.2Very low189 Ų189144 Ų14474%0.74178%0.782SS**  trans-131.5106.1166.7-77.1-81.8000109.9S185S185-Y187 VanDerWaalsContact C-N 3.29Å; S185-Y187 PolarHBondContact O-N 2.77Å; S185-Y187 VanDerWaalsContact OG-CD2 3.25Å; S185-Y187 WeakPolarHBondContact OG-CD2 3.42Å; S185-Y187 WeakPolarHBondContact OG-CE2 3.26Å
188F26.9Very low29.2Very low184 Ų184145.8 Ų145.881%0.80779%0.788SS**  trans39.1103.6157.3-70.9-89.9000116.8N190F188-N190 PolarHBondContact O-N 2.92Å
189N23.8Very low29.5Very low161 Ų161144 Ų14486%0.86177%0.774SS**  trans-5575.6162.9-79.1-42.3000111.5V191N189-V191 VanDerWaalsContact C-N 3.26Å; N189-V191 PolarHBondContact O-N 3.36Å; N189-V191 VanDerWaalsContact O-N 3.12Å
190N26.2Very low29.3Very low146 Ų146143.8 Ų143.878%0.78178%0.778SS**  trans-76.395152.4-78.6-19.9000105.5F188 Q192F188-N190 PolarHBondContact O-N 2.92Å; N190-Q192 PolarHBondContact O-N 2.91Å
191V27.5Very low29.1Very low127 Ų127145.1 Ų145.177%0.7777%0.773SS**  trans-53.390166.2179.40000106.7N189 P193N189-V191 VanDerWaalsContact C-N 3.26Å; N189-V191 PolarHBondContact O-N 3.36Å; N189-V191 VanDerWaalsContact O-N 3.12Å; V191-P193 VanDerWaalsContact O-CD 3.24Å; V191-P193 WeakPolarHBondContact O-CD 3.37Å
192Q26.5Very low28.8Very low173 Ų173143.3 Ų143.381%0.80876%0.761SS**  trans-66.4116.5166.2-91.4-172.1-31.900105.5N190 K194N190-Q192 PolarHBondContact O-N 2.91Å; Q192-K194 PolarHBondContact O-N 2.96Å
193P26.4Very low28.3Very low110 Ų110146.4 Ų146.471%0.71476%0.764SS**  trans-58.4121.3173.922.8-29.6000107V191 S195V191-P193 VanDerWaalsContact O-CD 3.24Å; V191-P193 WeakPolarHBondContact O-CD 3.37Å; P193-S195 PolarHBondContact O-N 3.29Å
194K27Very low27.9Very low188 Ų188151.9 Ų151.982%0.81777%0.766SS**  trans-56.889.6167.9-73.4178.5175.9175.40107.2Q192 N196Q192-K194 PolarHBondContact O-N 2.96Å; K194-N196 PolarHBondContact O-N 2.99Å
195S32.9Very low27.6Very low112 Ų112152.1 Ų152.178%0.78376%0.762SS**  trans-72.679.8164.448.70000107.1P193 N197P193-S195 PolarHBondContact O-N 3.29Å; S195-N197 PolarHBondContact O-N 3.13Å
196N29.2Very low27.3Very low136 Ų136152.3 Ų152.373%0.72777%0.769SS**  trans-63.582.7159-78.2-20.4000107.2K194K194-N196 PolarHBondContact O-N 2.99Å
197N32Very low27.2Very low137 Ų137150.2 Ų150.273%0.73376%0.762SS**  trans-16193152.4-93.3-31.4000107.6S195 Q199S195-N197 PolarHBondContact O-N 3.13Å; N197-Q199 PolarHBondContact O-N 3.28Å
198R30.4Very low27Very low242 Ų242148 Ų14891%0.91376%0.762SS**  trans-6567.1162.1-66.8-178.8175-174.6-1.2108.9
199Q33.8Very low26.8Very low122 Ų122147.4 Ų147.457%0.5776%0.761SS**  trans-95.192.9158.8-76.1-171.8-1.300105.8N197 Y201N197-Q199 PolarHBondContact O-N 3.28Å; Q199-Y201 HydrophobicContact CB-CD2 4.12Å; Q199-Y201 HydrophobicContact CB-CE2 3.7Å; Q199-Y201 WeakPolarHBondContact O-CD2 3.37Å; Q199-Y201 PolarHBondContact O-N 2.7Å; Q199-Y201 PolarHBondContact OE1-OH 3.17Å
200N28.3Very low26.9Very low154 Ų154145.4 Ų145.482%0.82475%0.754SS**  trans-60.684.6168.7-71.1-31000107.7P202N200-P202 WeakPolarHBondContact O-CD 3.13Å
201Y24.6Very low26.8Very low180 Ų180146.9 Ų146.971%0.70676%0.756SS**  trans-69.7123.4163.1-74.4-83.9000106.6Q199 Q203Q199-Y201 HydrophobicContact CB-CD2 4.12Å; Q199-Y201 HydrophobicContact CB-CE2 3.7Å; Q199-Y201 WeakPolarHBondContact O-CD2 3.37Å; Q199-Y201 PolarHBondContact O-N 2.7Å; Q199-Y201 PolarHBondContact OE1-OH 3.17Å; Y201-Q203 PolarHBondContact O-N 3.07Å
202P26.8Very low26.7Very low83 Ų83148.1 Ų148.154%0.53975%0.754SS.*  trans-59110.8175.920.9-29.3000108.6N200 Y204N200-P202 WeakPolarHBondContact O-CD 3.13Å; P202-Y204 HydrophobicContact CB-CE1 4.39Å; P202-Y204 HydrophobicContact CB-CE2 4.09Å; P202-Y204 HydrophobicContact CG-CE2 3.84Å; P202-Y204 VanDerWaalsContact O-CD2 3.29Å; P202-Y204 WeakPolarHBondContact O-CD2 3.02Å; P202-Y204 PolarHBondContact O-N 3.08Å; P202-Y204 VanDerWaalsContact O-N 3.1Å
203Q24Very low26.8Very low191 Ų191145.7 Ų145.789%0.89376%0.756SS**  trans-7695.8173.1-136.3-178.3-16.100106.5Y201 S205Y201-Q203 PolarHBondContact O-N 3.07Å; Q203-S205 PolarHBondContact O-N 3.4Å
204Y23.7Very low26.8Very low211 Ų211147.4 Ų147.483%0.82775%0.754SS**  trans-71.195.4175.5-60.9-80.2000109P202P202-Y204 HydrophobicContact CB-CE1 4.39Å; P202-Y204 HydrophobicContact CB-CE2 4.09Å; P202-Y204 HydrophobicContact CG-CE2 3.84Å; P202-Y204 VanDerWaalsContact O-CD2 3.29Å; P202-Y204 WeakPolarHBondContact O-CD2 3.02Å; P202-Y204 PolarHBondContact O-N 3.08Å; P202-Y204 VanDerWaalsContact O-N 3.1Å
205S24.7Very low27.2Very low104 Ų104144 Ų14473%0.72775%0.753SS**  trans-88.3109.4164.760.80000108.8Q203 T207Q203-S205 PolarHBondContact O-N 3.4Å; S205-T207 PolarHBondContact O-N 3.26Å
206A23.6Very low26.9Very low94 Ų94145.6 Ų145.678%0.77776%0.759SS**  trans-86.4101.7169.900000109I208A206-I208 PolarHBondContact O-N 2.62Å
207T24.9Very low27Very low111 Ų111142 Ų14268%0.68175%0.753SS**  trans-80.3104.2169.1-43.20000107.9S205 H209S205-T207 PolarHBondContact O-N 3.26Å; T207-H209 PolarHBondContact O-N 3.17Å
208I24Very low26.8Very low143 Ų143142.7 Ų142.773%0.73376%0.757SS**  trans-78.9100176.1-56.1173.7000107.4A206 V210A206-I208 PolarHBondContact O-N 2.62Å; I208-V210 HydrophobicContact CG2-CG2 4.37Å; I208-V210 PolarHBondContact O-N 2.78Å; I208-V210 VanDerWaalsContact O-N 3.12Å
209H22.6Very low26.8Very low171 Ų171139.3 Ų139.379%0.79276%0.755SS**  trans-70.4103.4164.8-83.8-93.4000108.2T207 Q211T207-H209 PolarHBondContact O-N 3.17Å; H209-Q211 PolarHBondContact O-N 3.03Å
210V26.2Very low26.4Very low119 Ų119139.6 Ų139.672%0.72177%0.766SS**  trans-71.6106.7165.4-176.20000105.6I208 E212I208-V210 HydrophobicContact CG2-CG2 4.37Å; I208-V210 PolarHBondContact O-N 2.78Å; I208-V210 VanDerWaalsContact O-N 3.12Å; V210-E212 PolarHBondContact O-N 3.01Å
211Q24.4Very low26.5Very low177 Ų177138 Ų13883%0.82777%0.767SS**  trans-60.6108.2169.9-118177.5-12.600106.9H209 S213H209-Q211 PolarHBondContact O-N 3.03Å; Q211-S213 PolarHBondContact O-N 3.17Å
212E25.1Very low26.6Very low152 Ų152132.7 Ų132.771%0.7177%0.766SS**  trans-61110.7166-81.7-178167.500107V210 H214V210-E212 PolarHBondContact O-N 3.01Å; E212-H214 PolarHBondContact O-N 3.49Å; E212-H214 IonicContact OE2-CE1 3.93Å
213S29.2Very low26.6Very low122 Ų122138 Ų13885%0.85378%0.776SS**  trans-65.985.8172.6-52.20000108.4Q211 S215Q211-S213 PolarHBondContact O-N 3.17Å; S213-S215 PolarHBondContact O-N 3.49Å
214H25.9Very low26.9Very low147 Ų147135.3 Ų135.368%0.68177%0.772SS**  trans-62.5120.2161.8-62.6-47.3000107.1E212 T216E212-H214 PolarHBondContact O-N 3.49Å; E212-H214 IonicContact OE2-CE1 3.93Å; H214-T216 PolarHBondContact O-N 2.91Å
215S34.3Very low27.1Very low115 Ų115133.8 Ų133.880%0.80477%0.766SS**  trans-69.582.1170.763.50000108.7S213 G217S213-S215 PolarHBondContact O-N 3.49Å; S215-G217 PolarHBondContact O-N 3.36Å
216T28.2Very low27.2Very low147 Ų147136.8 Ų136.890%0.90277%0.774SS**  trans-73.275.4160.725.40000107.8H214H214-T216 PolarHBondContact O-N 2.91Å
217G30.6Very low27.5Very low59 Ų59135 Ų13561%0.60877%0.765SS**  trans-136.7102.517800000108.3S215S215-G217 PolarHBondContact O-N 3.36Å
218N28.3Very low27.7Very low152 Ų152136.1 Ų136.181%0.81377%0.772SS**  trans-31.5131.8-179.1-85.9-30.6000114.9T220N218-T220 PolarHBondContact O-N 2.66Å
219I28.9Very low28Very low171 Ų171135 Ų13588%0.87778%0.776SS**  trans-6478.2163.3-49.5160.9000107.5S221I219-S221 PolarHBondContact O-N 2.71Å
220T27.4Very low28.4Very low128 Ų128132.8 Ų132.879%0.78578%0.775SS**  trans-81.995159.735.40000107.3N218 G222N218-T220 PolarHBondContact O-N 2.66Å; T220-G222 PolarHBondContact O-N 3.22Å
221S29.6Very low28.4Very low122 Ų122137.1 Ų137.185%0.85378%0.778SS**  trans-56.8124.3166.3-1640000108.8I219I219-S221 PolarHBondContact O-N 2.71Å
222G26.8Very low28.6Very low67 Ų67136.3 Ų136.369%0.69178%0.778SS**  trans106.899.117100000114.2T220T220-G222 PolarHBondContact O-N 3.22Å
223R25.5Very low28.6Very low194 Ų194138 Ų13873%0.73278%0.779SS**  -176.796.2106.7-164.5173.9-126.2-153.91107.4Y225R223-Y225 HydrophobicContact CB-CD2 4.47Å; R223-Y225 HydrophobicContact CB-CE2 4.28Å; R223-Y225 HydrophobicContact CG-CD2 4.18Å; R223-Y225 HydrophobicContact CG-CE2 3.89Å; R223-Y225 PolarHBondContact NH1-OH 2.64Å; R223-Y225 PolarHBondContact O-N 3.18Å
224V30.1Very low28.6Very low135 Ų135137.9 Ų137.982%0.81878%0.776SS**  trans-66.899.2172.4-176.80000106.8N226V224-N226 PolarHBondContact O-N 3.49Å; V224-N226 VanDerWaalsContact O-N 3.13Å
225Y28.7Very low28.8Very low180 Ų180137.2 Ų137.271%0.70678%0.782SS**  trans-72104.9167.5-85.2-88.1000107.5R223 G227R223-Y225 HydrophobicContact CB-CD2 4.47Å; R223-Y225 HydrophobicContact CB-CE2 4.28Å; R223-Y225 HydrophobicContact CG-CD2 4.18Å; R223-Y225 HydrophobicContact CG-CE2 3.89Å; R223-Y225 PolarHBondContact NH1-OH 2.64Å; R223-Y225 PolarHBondContact O-N 3.18Å; Y225-G227 PolarHBondContact O-N 3.09Å
226N27.9Very low28.5Very low167 Ų167140.2 Ų140.289%0.89378%0.78SS**  trans-60.384.3164.6-97.9-24000108.8V224V224-N226 PolarHBondContact O-N 3.49Å; V224-N226 VanDerWaalsContact O-N 3.13Å
227G28.8Very low28.6Very low56 Ų56141.6 Ų141.658%0.57778%0.776SS**  trans-124.295.4179.800000110.5Y225Y225-G227 PolarHBondContact O-N 3.09Å
228T28.4Very low28.4Very low135 Ų135148.8 Ų148.883%0.82879%0.787SS**  trans52.296.9157.255.30000117.2T230T228-T230 PolarHBondContact O-N 2.84Å
229S30.4Very low28.4Very low119 Ų119149 Ų14983%0.83279%0.787SS**  trans-57.298.7165.6-176.50000111R231S229-R231 PolarHBondContact O-N 2.89Å
230T32.1Very low28.5Very low124 Ų124146.3 Ų146.376%0.76178%0.784SS**  trans-70109.5165.318.60000108.8T228 I232T228-T230 PolarHBondContact O-N 2.84Å; T230-I232 PolarHBondContact O-N 3.02Å
231R26.3Very low28.5Very low210 Ų210145.8 Ų145.879%0.79279%0.786SS**PPolyproline II helixtrans-63.4117.9169.7-74.2-178-160.8-155.92.5109.2S229S229-R231 PolarHBondContact O-N 2.89Å
232I28.6Very low28.5Very low160 Ų160145.3 Ų145.382%0.82178%0.783SS**PPolyproline II helixtrans-84.4116.6173.8-57.8173.7000107.4T230T230-I232 PolarHBondContact O-N 3.02Å
233Y24.5Very low28.6Very low189 Ų189147.1 Ų147.174%0.74179%0.785SS**PPolyproline II helixtrans-84.1133.3171.6-66.3-86.2000109.7V235Y233-V235 PolarHBondContact O-N 2.94Å
234P30.3Very low29Very low119 Ų119144 Ų14477%0.77379%0.789SS**PPolyproline II helixtrans-67.4129.117625.3-31.1000110.8K236P234-K236 PolarHBondContact O-N 3.13Å
235V28.8Very low29Very low133 Ų133144.1 Ų144.181%0.80679%0.79SS**PPolyproline II helixtrans-65.3121.5174.9175.90000108.9Y233 Q237Y233-V235 PolarHBondContact O-N 2.94Å; V235-Q237 PolarHBondContact O-N 2.72Å; V235-Q237 VanDerWaalsContact O-N 3.13Å
236K29.2Very low29Very low178 Ų178146.2 Ų146.277%0.77480%0.796SS**  trans-63.3112.3172.2-70.2-176.8177.9-178.30108.8P234 Y238P234-K236 PolarHBondContact O-N 3.13Å; K236-Y238 PolarHBondContact O-N 2.67Å
237Q29Very low29.2Very low176 Ų176143.7 Ų143.782%0.82279%0.79SS**  trans-71.8114.2175.2-66.7179.6-12.200108.8V235 N239V235-Q237 PolarHBondContact O-N 2.72Å; V235-Q237 VanDerWaalsContact O-N 3.13Å; Q237-N239 PolarHBondContact O-N 2.77Å
238Y27.3Very low29.4Very low210 Ų210148.9 Ų148.982%0.82480%0.802SS**  trans-76.5112.2169.8-67.7-84.4000108.5K236 S240K236-Y238 PolarHBondContact O-N 2.67Å; Y238-S240 PolarHBondContact O-N 3.17Å
239N28.6Very low29.4Very low155 Ų155148.1 Ų148.183%0.82980%0.797SS**  trans-69.496.4169.5-85.3-18.9000108.9Q237 S241Q237-N239 PolarHBondContact O-N 2.77Å; N239-S241 PolarHBondContact O-N 2.93Å; N239-S241 VanDerWaalsContact O-N 3.14Å
240S29.2Very low29.6Very low115 Ų115148.6 Ų148.680%0.80480%0.798SS**  trans-77.892.2165.9-63.50000108.9Y238 S242Y238-S240 PolarHBondContact O-N 3.17Å; S240-S242 PolarHBondContact O-N 3.5Å; S240-S242 VanDerWaalsContact O-N 3.08Å
241S28.2Very low29.4Very low117 Ų117148.2 Ų148.282%0.81880%0.8SS**  trans-65.999.6168.751.50000109.7N239N239-S241 PolarHBondContact O-N 2.93Å; N239-S241 VanDerWaalsContact O-N 3.14Å
242S30Very low29.6Very low113 Ų113143 Ų14379%0.7980%0.796SS**  trans-85.3122.5165.8600000109.3S240S240-S242 PolarHBondContact O-N 3.5Å; S240-S242 VanDerWaalsContact O-N 3.08Å
243S27.9Very low29.5Very low105 Ų105142.3 Ų142.373%0.73480%0.799SS**  trans-56.9144176.8-64.80000112.3V245S243-V245 PolarHBondContact O-N 2.62Å; S243-V245 VanDerWaalsContact O-N 3.16Å
244P33.8Very low29.7Very low127 Ų127143.3 Ų143.383%0.82580%0.803SS**  trans-65.6114.3-17725.2-32.5000110.8R246P244-R246 PolarHBondContact O-N 2.83Å
245V32Very low29.5Very low138 Ų138142.4 Ų142.484%0.83680%0.797SS**PPolyproline II helixtrans-65.9118.6171.5178.30000107.9S243S243-V245 PolarHBondContact O-N 2.62Å; S243-V245 VanDerWaalsContact O-N 3.16Å
246R28.2Very low29.3Very low224 Ų224141.1 Ų141.185%0.84579%0.794SS**PPolyproline II helixtrans-57.4124.8177.8-126.2177.5-175.1-98.53109.2P244 I248P244-R246 PolarHBondContact O-N 2.83Å; R246-I248 PolarHBondContact O-N 3.42Å
247P32.2Very low29.3Very low115 Ų115142.5 Ų142.575%0.74780%0.796SS**PPolyproline II helixtrans-68.1119.3177.724.4-30000109.5T249P247-T249 PolarHBondContact O-N 2.87Å
248I31.7Very low29.2Very low164 Ų164140.4 Ų140.484%0.84179%0.79SS**  trans-72.5108.4168.6-60.3172.4000106.2R246 P250R246-I248 PolarHBondContact O-N 3.42Å; I248-P250 VanDerWaalsContact O-CD 3.3Å; I248-P250 WeakPolarHBondContact O-CD 3.27Å
249T30Very low29.1Very low119 Ų119136 Ų13673%0.7379%0.79SS**  trans-65.4118175.7390000110.6P247 S251P247-T249 PolarHBondContact O-N 2.87Å; T249-S251 PolarHBondContact O-N 2.78Å
250P34.1Very low29.1Very low129 Ų129138.1 Ų138.184%0.83879%0.788SS**  trans-78.3107.8165.418-7.1000109I248 S252I248-P250 VanDerWaalsContact O-CD 3.3Å; I248-P250 WeakPolarHBondContact O-CD 3.27Å; P250-S252 PolarHBondContact O-N 3.2Å
251S28Very low29Very low117 Ų117139.1 Ų139.182%0.81878%0.784SS**  trans-81.499.6168.660.60000109.6T249T249-S251 PolarHBondContact O-N 2.78Å
252S29.7Very low28.9Very low101 Ų101139.8 Ų139.871%0.70679%0.789SS**  trans-161.3120.9141.251.50000109.3P250 Y254P250-S252 PolarHBondContact O-N 3.2Å; S252-Y254 PolarHBondContact O-N 3.19Å
253V26.8Very low28.9Very low145 Ų145140.8 Ų140.888%0.87978%0.784SS**  trans-72.9112.3178.9177.80000107.3
254Y27.8Very low29Very low209 Ų209141.2 Ų141.282%0.8279%0.787SS**  trans-121.8135.4160.4-98-90000109.2S252S252-Y254 PolarHBondContact O-N 3.19Å
255P27.7Very low29Very low100 Ų100146.2 Ų146.265%0.64979%0.789SS**  trans-73.1135.9-163.126.5-32.7000113.5Y257P255-Y257 PolarHBondContact O-N 3.47Å
256S24.3Very low29.1Very low107 Ų107142.4 Ų142.475%0.74878%0.778SS**  trans-35.3116.6162.5151.50000114
257Y29.1Very low29.5Very low207 Ų207137.8 Ų137.881%0.81278%0.78SS**  trans-132.3119.1146.4-74-79.5000109.9P255P255-Y257 PolarHBondContact O-N 3.47Å
258N26.8Very low29.7Very low131 Ų131135 Ų13570%0.70177%0.772SS**  trans73.292.6155.2-64.4-31.8000119.7Y260N258-Y260 PolarHBondContact O-N 3.05Å; N258-Y260 VanDerWaalsContact O-N 3.14Å
259S25.5Very low29.7Very low117 Ų117138.1 Ų138.182%0.81877%0.773SS**  trans-41.194.1147.3-41.10000113.8
260Y28.8Very low30Very low201 Ų201138.5 Ų138.579%0.78878%0.775SS**  trans-138119.8155.1-82.2-80.2000110.4N258N258-Y260 PolarHBondContact O-N 3.05Å; N258-Y260 VanDerWaalsContact O-N 3.14Å
261N26.7Very low30.2Very low136 Ų136138.5 Ų138.573%0.72777%0.772SS**  trans66.286.6162.3-60.9-25.4000117.2I263N261-I263 PolarHBondContact O-N 2.86Å
262S26.2Very low30.6Very low130 Ų130140.5 Ų140.591%0.90977%0.769SS**  trans-57.578.5155.6-53.80000110.7S264S262-S264 PolarHBondContact O-N 3.4Å
263I29.1Very low31.2Very low135 Ų135141.1 Ų141.169%0.69277%0.77SS**  trans-71.8103.6163.1-65.2157000105.1N261 R265N261-I263 PolarHBondContact O-N 2.86Å; I263-R265 HydrophobicContact CG2-CG 4.46Å; I263-R265 PolarHBondContact O-N 3.31Å
264S30.2Very low31.7Very low114 Ų114141.6 Ų141.680%0.79777%0.767SS**  trans-54.492.8165.7-175.10000107.3S262 G266S262-S264 PolarHBondContact O-N 3.4Å; S264-G266 PolarHBondContact O-N 3.19Å
265R34.4Very low32.2Very low231 Ų231142.7 Ų142.787%0.87277%0.77SS**  trans-70.792.3171.3-69.7-173.8-176.1-157.11.1104.7I263 S267I263-R265 HydrophobicContact CG2-CG 4.46Å; I263-R265 PolarHBondContact O-N 3.31Å; R265-S267 PolarHBondContact O-N 3.18Å
266G34.1Very low32.7Very low58 Ų58142.8 Ų142.860%0.59877%0.768SS**  trans-42.9137.7165.100000108.1S264 G268S264-G266 PolarHBondContact O-N 3.19Å; G266-G268 PolarHBondContact O-N 3.07Å
267S36.9Very low33.6Very low128 Ų128142.7 Ų142.790%0.89576%0.759SS**  trans-63.958.2179.2-171.10000110.9R265 R269R265-S267 PolarHBondContact O-N 3.18Å; S267-R269 PolarHBondContact O-N 2.96Å
268G34.8Very low34Very low55 Ų55138.6 Ų138.657%0.56776%0.756SS**  trans-74.9113.516200000104.9G266 V270G266-G268 PolarHBondContact O-N 3.07Å; G268-V270 VanDerWaalsContact C-N 3.3Å; G268-V270 PolarHBondContact O-N 3.4Å
269R32.1Very low34.4Very low231 Ų231141 Ų14187%0.87276%0.756SS**  trans-51103.9166.3-72-177177-145.8-0.1106.4S267 V271S267-R269 PolarHBondContact O-N 2.96Å; R269-V271 PolarHBondContact O-N 3.33Å
270V37.7Very low35.1Very low126 Ų126141.8 Ų141.876%0.76475%0.751SS**  trans-65.796170.2-179.10000104G268 Q272G268-V270 VanDerWaalsContact C-N 3.3Å; G268-V270 PolarHBondContact O-N 3.4Å; V270-Q272 PolarHBondContact O-N 3Å
271V37.5Very low35.5Very low130 Ų130137.3 Ų137.379%0.78875%0.749SS**  trans-66.693.4173179.90000104.6R269R269-V271 PolarHBondContact O-N 3.33Å
272Q37.2Very low36.3Very low159 Ų159138 Ų13874%0.74375%0.753SS**  trans-59.9130.4173-66.3-168.8-2.400106.8V270 L274V270-Q272 PolarHBondContact O-N 3Å; Q272-L274 PolarHBondContact O-N 2.75Å
273P40.8Very low36.7Very low113 Ų113138.5 Ų138.573%0.73475%0.745SS**  trans-57129.517622.7-31.5000108.2R275P273-R275 PolarHBondContact O-N 3.12Å
274L38.7Very low37Very low156 Ų156136.1 Ų136.182%0.81775%0.746SS**  trans-57.1109.2177.2-171.175.6000107.8Q272 V276Q272-L274 PolarHBondContact O-N 2.75Å; L274-V276 HydrophobicContact CD2-CG2 3.92Å; L274-V276 HydrophobicContact CG-CG2 4.18Å; L274-V276 PolarHBondContact O-N 2.81Å
275R37.4Very low37.3Very low232 Ų232135.2 Ų135.288%0.87574%0.739SS**  trans-71.797.2172.4-67.7-167.9-170.1-1594107.6P273 N277P273-R275 PolarHBondContact O-N 3.12Å; R275-N277 PolarHBondContact O-N 2.73Å
276V37.7Very low37.5Very low102 Ų102129.7 Ų129.762%0.61873%0.732SS**  trans-83.2107.1169.7-174.70000106.8L274 V278L274-V276 HydrophobicContact CD2-CG2 3.92Å; L274-V276 HydrophobicContact CG-CG2 4.18Å; L274-V276 PolarHBondContact O-N 2.81Å; V276-V278 PolarHBondContact O-N 3.01Å
277N44.5Very low37.5Very low105 Ų105132.9 Ų132.956%0.56174%0.739SS**  trans-69.2104.3167.9-72.5-6.4000107.3R275 Y279R275-N277 PolarHBondContact O-N 2.73Å; N277-Y279 VanDerWaalsContact C-N 3.31Å; N277-Y279 HydrophobicContact CB-CD2 4.17Å; N277-Y279 HydrophobicContact CB-CE1 4.47Å; N277-Y279 HydrophobicContact CB-CE2 3.63Å; N277-Y279 PolarHBondContact ND2-OH 2.69Å; N277-Y279 WeakPolarHBondContact O-CD2 3.34Å; N277-Y279 PolarHBondContact O-N 2.75Å; N277-Y279 VanDerWaalsContact O-N 3.08Å
278V36.4Very low37.4Very low121 Ų121137 Ų13773%0.73374%0.736SS**  trans-75.992.6167-1760000106.1V276 N280V276-V278 PolarHBondContact O-N 3.01Å; V278-N280 PolarHBondContact O-N 2.67Å
279Y35.1Very low37Very low182 Ų182137.7 Ų137.771%0.71473%0.733SS**  trans-68.8119.4166-62.9-78.3000106.7N277 S281N277-Y279 VanDerWaalsContact C-N 3.31Å; N277-Y279 HydrophobicContact CB-CD2 4.17Å; N277-Y279 HydrophobicContact CB-CE1 4.47Å; N277-Y279 HydrophobicContact CB-CE2 3.63Å; N277-Y279 PolarHBondContact ND2-OH 2.69Å; N277-Y279 WeakPolarHBondContact O-CD2 3.34Å; N277-Y279 PolarHBondContact O-N 2.75Å; N277-Y279 VanDerWaalsContact O-N 3.08Å; Y279-S281 PolarHBondContact O-N 3.29Å
280N40Very low37Very low133 Ų133132.9 Ų132.971%0.71173%0.731SS**  trans-55.7109.1170.1-73.8-19.3000107.2V278 D282V278-N280 PolarHBondContact O-N 2.67Å; N280-D282 PolarHBondContact O-N 3.3Å
281S38.7Very low36.8Very low106 Ų106134.3 Ų134.374%0.74173%0.729SS**THydrogen-bonded Turntrans-70.18.9-175.142.60000113.8Y279 N283Y279-S281 PolarHBondContact O-N 3.29Å; S281-N283 VanDerWaalsContact C-N 3.29Å
282D41.8Very low36.5Very low150 Ų150136.7 Ų136.780%0.80273%0.729SS**THydrogen-bonded Turntrans-75.2-22.8175.9-64.5-15.8000112N280N280-D282 PolarHBondContact O-N 3.3Å
283N34.5Very low36.2Very low142 Ų142139.1 Ų139.176%0.75974%0.737SS**SBendtrans-100.484.4161.9-84.2-13.4000107.8S281 S285S281-N283 VanDerWaalsContact C-N 3.29Å; N283-S285 PolarHBondContact O-N 2.91Å
284A37.1Very low36Very low85 Ų85140.2 Ų140.270%0.70274%0.742SS**  trans-56.485.5150.300000106.6T286A284-T286 PolarHBondContact O-N 2.73Å
285S35.3Very low35.8Very low94 Ų94140.9 Ų140.966%0.65774%0.741SS**  trans-57.996.8162.860.40000103.7N283 V287N283-S285 PolarHBondContact O-N 2.91Å; S285-V287 PolarHBondContact O-N 3.17Å
286T38.9Very low35.5Very low116 Ų116134.9 Ų134.971%0.71273%0.734SS**  trans-56100.1165.8-43.40000103.1A284 Y288A284-T286 PolarHBondContact O-N 2.73Å; T286-Y288 WeakPolarHBondContact O-CD2 3.32Å; T286-Y288 PolarHBondContact O-N 3.06Å
287V35.2Very low35.4Very low124 Ų124135.1 Ų135.175%0.75274%0.74SS**  trans-60.4102.8174.4177.10000102.7S285 S289S285-V287 PolarHBondContact O-N 3.17Å; V287-S289 PolarHBondContact O-N 2.71Å
288Y33.1Very low35.1Very low214 Ų214135.3 Ų135.384%0.83975%0.747SS**  trans-55.797.4170.2-89-98.2000105T286T286-Y288 WeakPolarHBondContact O-CD2 3.32Å; T286-Y288 PolarHBondContact O-N 3.06Å
289S26.2Very low35.1Very low71 Ų71136.7 Ų136.750%0.49775%0.751SS.*  trans-51.9132.2159.9-167.90000105.2V287 H291V287-S289 PolarHBondContact O-N 2.71Å; S289-H291 PolarHBondContact O-N 2.88Å
290P34Very low34.9Very low129 Ų129139.5 Ų139.584%0.83876%0.76SS**  trans-68.677.7-174.522.3-25.1000108.8K292P290-K292 PolarHBondContact O-N 3.3Å
291H32.2Very low34.6Very low156 Ų156140.4 Ų140.472%0.72277%0.765SS**  trans-75.6110.2175.6-88.1-77.5000106.4S289S289-H291 PolarHBondContact O-N 2.88Å
292K31.1Very low34.5Very low180 Ų180139.7 Ų139.778%0.78376%0.758SS**  trans20.5112.2139.6-71.5-178.5173.4-1770112.7P290 V294P290-K292 PolarHBondContact O-N 3.3Å; K292-V294 VanDerWaalsContact C-N 3.35Å; K292-V294 PolarHBondContact O-N 3Å
293K32.4Very low34.3Very low211 Ų211137.7 Ų137.792%0.91776%0.756SS**  trans-34.8100.2157.7-76.9179.7171.4-172.10109.2
294V36.2Very low34.4Very low136 Ų136136.3 Ų136.382%0.82476%0.757SS**  trans-104.2105.1159.61780000103.5K292K292-V294 VanDerWaalsContact C-N 3.35Å; K292-V294 PolarHBondContact O-N 3Å
295E33Very low34.7Very low170 Ų170136.7 Ų136.779%0.79475%0.752SS**  trans-51.3141.1174.4-77.3165139.800111.2
296S32.1Very low35Very low105 Ų105139.9 Ų139.973%0.73476%0.76SS**  trans47.395.6149.666.60000117.5
297S36.1Very low34.8Very low107 Ų107143.4 Ų143.475%0.74876%0.762SS**  trans-140.896.5132.440.60000108.6N299S297-N299 PolarHBondContact O-N 3.28Å
298P37.9Very low35.4Very low110 Ų110141.6 Ų141.671%0.71475%0.753SS**  trans-78.563.5176.234.3-32.5000109.2W300P298-W300 VanDerWaalsContact C-N 3.25Å; P298-W300 PolarHBondContact O-N 3.02Å
299N36.3Very low35.8Very low150 Ų150136 Ų13680%0.80275%0.75SS**  trans-9765.2165.8-79.17000108.2S297 N301S297-N299 PolarHBondContact O-N 3.28Å; N299-N301 PolarHBondContact O-N 3.14Å
300W31Very low36.2Very low241 Ų241142.1 Ų142.191%0.91376%0.764SS**  trans-57.694.1151.9-88.683.9000106.6P298 P302P298-W300 VanDerWaalsContact C-N 3.25Å; P298-W300 PolarHBondContact O-N 3.02Å; W300-P302 VanDerWaalsContact O-CD 3.25Å; W300-P302 WeakPolarHBondContact O-CD 3.26Å
301N33.3Very low36.8Very low152 Ų152140.7 Ų140.781%0.81376%0.755SS**  trans-86.4105163.3-156.43.9000106.2N299 S303N299-N301 PolarHBondContact O-N 3.14Å; N301-S303 PolarHBondContact O-N 3.18Å
302P37.8Very low37.3Very low90 Ų90136.9 Ų136.958%0.58475%0.751SS**  trans-70.3130.6-172.228.9-32.8000110.3W300 S304W300-P302 VanDerWaalsContact O-CD 3.25Å; W300-P302 WeakPolarHBondContact O-CD 3.26Å; P302-S304 PolarHBondContact O-N 2.79Å
303S37.4Very low37.8Very low109 Ų109139 Ų13976%0.76276%0.755SS**  trans45.875.9144.5-52.70000116.6N301 P305N301-S303 PolarHBondContact O-N 3.18Å; S303-P305 VanDerWaalsContact O-CD 3.27Å; S303-P305 WeakPolarHBondContact O-CD 3.47Å
304S34.9Very low38.1Very low113 Ų113136.2 Ų136.279%0.7975%0.747SS**  trans-62.1116147.2-580000106.8P302 I306P302-S304 PolarHBondContact O-N 2.79Å; S304-I306 PolarHBondContact O-N 2.99Å
305P43.8Very low38.2Very low93 Ų93136.8 Ų136.860%0.60475%0.746SS**  trans-60.2117.8-176.921.8-30.5000108.7S303 Y307S303-P305 VanDerWaalsContact O-CD 3.27Å; S303-P305 WeakPolarHBondContact O-CD 3.47Å; P305-Y307 VanDerWaalsContact C-N 3.26Å; P305-Y307 HydrophobicContact CG-CE2 4.08Å; P305-Y307 WeakPolarHBondContact O-CD2 3.39Å; P305-Y307 PolarHBondContact O-N 2.76Å
306I42.1Very low38.5Very low161 Ų161138.2 Ų138.283%0.82675%0.749SS**  trans-65.196.6167.1-62.4170.8000104.9S304 P308S304-I306 PolarHBondContact O-N 2.99Å; I306-P308 VanDerWaalsContact O-CD 3.25Å; I306-P308 WeakPolarHBondContact O-CD 3.3Å
307Y35.8Very low38.9Very low190 Ų190140.4 Ų140.475%0.74575%0.752SS**  trans-61.2118.1167.7-79.8-87.7000106.7P305 A309P305-Y307 VanDerWaalsContact C-N 3.26Å; P305-Y307 HydrophobicContact CG-CE2 4.08Å; P305-Y307 WeakPolarHBondContact O-CD2 3.39Å; P305-Y307 PolarHBondContact O-N 2.76Å; Y307-A309 PolarHBondContact O-N 2.9Å; Y307-A309 VanDerWaalsContact O-N 3.1Å
308P48Very low39.3Very low86 Ų86142.8 Ų142.856%0.55876%0.756SS**  trans-58.3122.7167.524.2-29.9000106.3I306 Y310I306-P308 VanDerWaalsContact O-CD 3.25Å; I306-P308 WeakPolarHBondContact O-CD 3.3Å; P308-Y310 VanDerWaalsContact C-N 3.31Å; P308-Y310 WeakPolarHBondContact O-CD2 2.99Å; P308-Y310 PolarHBondContact O-N 2.83Å
309A39.7Very low39.3Very low95 Ų95145.8 Ų145.879%0.78576%0.76SS**  trans-57.9101.9170.200000106.5Y307 P311Y307-A309 PolarHBondContact O-N 2.9Å; Y307-A309 VanDerWaalsContact O-N 3.1Å; A309-P311 WeakPolarHBondContact O-CD 3.33Å; A309-P311 VanDerWaalsContact O-N 3.11Å
310Y35.9Very low39.5Very low200 Ų200143.9 Ų143.978%0.78475%0.754SS**  trans-58.5117175-77.4-86.4000107P308 A312P308-Y310 VanDerWaalsContact C-N 3.31Å; P308-Y310 WeakPolarHBondContact O-CD2 2.99Å; P308-Y310 PolarHBondContact O-N 2.83Å; Y310-A312 PolarHBondContact O-N 2.87Å; Y310-A312 VanDerWaalsContact O-N 3.11Å
311P47.1Very low40Very low99 Ų99138.9 Ų138.964%0.64375%0.745SS**  trans-62.1118.7168.1-15.230.1000106.3A309 Y313 M314A309-P311 WeakPolarHBondContact O-CD 3.33Å; A309-P311 VanDerWaalsContact O-N 3.11Å; P311-Y313 PolarHBondContact O-N 3.14Å; P311-M314 HydrophobicContact CB-CG 4.28Å
312A41.8Very low40.3Very low77 Ų77138.5 Ų138.564%0.63674%0.741SS**THydrogen-bonded Turntrans-56.3110.8172.700000107.8Y310 M314Y310-A312 PolarHBondContact O-N 2.87Å; Y310-A312 VanDerWaalsContact O-N 3.11Å; A312-M314 PolarHBondContact O-N 3.1Å
313Y40.7Very low40.3Very low223 Ų223140.1 Ų140.188%0.87574%0.741SS**THydrogen-bonded Turntrans50.761.3167.2-48.7-82.4000115P311P311-Y313 PolarHBondContact O-N 3.14Å
314M39.3Very low40.5Very low153 Ų153139.8 Ų139.875%0.75474%0.736SS**  trans-91.8113.8154.8-72.7-72.1125.200107.1P311 A312 K316P311-M314 HydrophobicContact CB-CG 4.28Å; A312-M314 PolarHBondContact O-N 3.1Å; M314-K316 PolarHBondContact O-N 3.44Å
315D38.9Very low41Very low148 Ų148141.7 Ų141.779%0.79174%0.737SS**  trans-46.4131.7171.2-79.5-39.7000109L317D315-L317 PolarHBondContact O-N 2.84Å
316K39.9Very low40.8Very low201 Ų201147.2 Ų147.287%0.87475%0.746SS**  trans-66.967.5-179.9-62.4176.4-177.9179.80109.4M314 N318M314-K316 PolarHBondContact O-N 3.44Å; K316-N318 PolarHBondContact O-N 2.97Å
317L40.3Very low40.8Very low151 Ų151149 Ų14979%0.79174%0.743SS**  trans-65.8115.6159.8-104.3110.7000105.3D315 H319D315-L317 PolarHBondContact O-N 2.84Å; L317-H319 PolarHBondContact O-N 2.71Å
318N43.1Very low40.9Very low156 Ų156150.2 Ų150.283%0.83475%0.747SS**  trans-4687.5172.4-70-43.6000109.7K316 V320K316-N318 PolarHBondContact O-N 2.97Å; N318-V320 PolarHBondContact O-N 2.86Å
319H38.7Very low40.5Very low174 Ų174157.7 Ų157.781%0.80676%0.764SS**  trans-76.987171.6-137.465.4000104.1L317 D321L317-H319 PolarHBondContact O-N 2.71Å; H319-D321 PolarHBondContact O-N 2.81Å; H319-D321 VanDerWaalsContact O-N 3.11Å
320V41.3Very low40.6Very low109 Ų109161 Ų16166%0.66176%0.763SS**  trans-53.9119.2163.2175.40000104.6N318 I322N318-V320 PolarHBondContact O-N 2.86Å; V320-I322 PolarHBondContact O-N 2.96Å
321D41.4Very low40.7Very low137 Ų137158.3 Ų158.373%0.73376%0.758SS**  trans-56.288.1172.2-78.4-39.6000108.2H319 Q323H319-D321 PolarHBondContact O-N 2.81Å; H319-D321 VanDerWaalsContact O-N 3.11Å; D321-Q323 PolarHBondContact O-N 2.75Å
322I38.8Very low40Very low143 Ų143158 Ų15873%0.73376%0.758SS**  trans-74.179.5166.8-57.7173.2000104.1V320 P324V320-I322 PolarHBondContact O-N 2.96Å; I322-P324 WeakPolarHBondContact O-CD 2.96Å; I322-P324 VanDerWaalsContact O-N 3.09Å
323Q36.6Very low39.7Very low124 Ų124160.4 Ų160.458%0.57976%0.764SS**  trans-47.5120.1162.4-76.3-82.7-22.700105.7D321 L325D321-Q323 PolarHBondContact O-N 2.75Å; Q323-L325 PolarHBondContact O-N 3.07Å; Q323-L325 VanDerWaalsContact O-N 3.07Å
324P43.3Very low39.3Very low102 Ų102160.2 Ų160.266%0.66276%0.762SS**  trans-53.8125.9179.820.1-30.5000106.9I322 R326I322-P324 WeakPolarHBondContact O-CD 2.96Å; I322-P324 VanDerWaalsContact O-N 3.09Å; P324-R326 VanDerWaalsContact C-N 3.29Å; P324-R326 PolarHBondContact O-N 2.91Å
325L45.5Very low39.1Very low154 Ų154158.6 Ų158.681%0.80676%0.763SS**  trans-47.898.6178.3-89.4124.1000107.8Q323 Y327Q323-L325 PolarHBondContact O-N 3.07Å; Q323-L325 VanDerWaalsContact O-N 3.07Å; L325-Y327 VanDerWaalsContact C-N 3.31Å; L325-Y327 PolarHBondContact O-N 2.9Å
326R39.2Very low39Very low208 Ų208157.4 Ų157.479%0.78576%0.761SS**  trans-63.5106.6167.9-67-174.6-155-1746.4103.4P324 R328P324-R326 VanDerWaalsContact C-N 3.29Å; P324-R326 PolarHBondContact O-N 2.91Å; R326-R328 PolarHBondContact O-N 2.77Å
327Y42.3Very low38.6Very low198 Ų198152.7 Ų152.778%0.77675%0.749SS**  trans-46.4106.2175-69.5-86.4000107.4L325 R329L325-Y327 VanDerWaalsContact C-N 3.31Å; L325-Y327 PolarHBondContact O-N 2.9Å; Y327-R329 PolarHBondContact O-N 3.08Å
328R37.5Very low38.2Very low217 Ų217152.5 Ų152.582%0.81975%0.747SS**  trans-59.1132.9173.8-84.1-171.5174.7179.8-0.7106R326 E330 Q331R326-R328 PolarHBondContact O-N 2.77Å; R328-E330 PolarHBondContact O-N 2.71Å; R328-Q331 PolarHBondContact O-N 3.37Å; R328-Q331 VanDerWaalsContact O-N 3.14Å
329R40.1Very low37.4Very low243 Ų243154.8 Ų154.892%0.91775%0.746SS**THydrogen-bonded Turntrans-50.7-11.9-175.1-154.3179.2-161.4-173.54.2115Y327Y327-R329 PolarHBondContact O-N 3.08Å
330E41.4Very low37.1Very low164 Ų164151.4 Ų151.477%0.76674%0.741SS**THydrogen-bonded Turntrans-78.6-19.9-178.8-54.3-6314600114R328 S332R328-E330 PolarHBondContact O-N 2.71Å; E330-S332 PolarHBondContact O-N 2.91Å
331Q37.1Very low36.5Very low144 Ų144151.2 Ų151.267%0.67374%0.741SS**  trans-7963.2170.3-69.2-172.9-6.800109.6R328 V333R328-Q331 PolarHBondContact O-N 3.37Å; R328-Q331 VanDerWaalsContact O-N 3.14Å; Q331-V333 PolarHBondContact O-N 2.73Å
332S32.6Very low36.2Very low92 Ų92152.5 Ų152.564%0.64375%0.748SS**  trans-59.992.2163.154.80000107.3E330 R334E330-S332 PolarHBondContact O-N 2.91Å; S332-R334 VanDerWaalsContact C-N 3.29Å; S332-R334 PolarHBondContact O-N 2.79Å
333V36.7Very low35.8Very low128 Ų128151.5 Ų151.578%0.77674%0.744SS**  trans-58.3101.9168.7178.40000105.1Q331Q331-V333 PolarHBondContact O-N 2.73Å
334R31.4Very low35.6Very low219 Ų219151.1 Ų151.183%0.82675%0.752SS**PPolyproline II helixtrans-57.4124.3175.7-65.1-171.2179.7-166.70.9105.9S332 V336S332-R334 VanDerWaalsContact C-N 3.29Å; S332-R334 PolarHBondContact O-N 2.79Å; R334-V336 PolarHBondContact O-N 2.74Å
335P35.6Very low35.1Very low118 Ų118151.9 Ų151.977%0.76676%0.755SS**PPolyproline II helixtrans-58.4116.4-179.421.2-30.4000108.3T337P335-T337 PolarHBondContact O-N 2.87Å; P335-T337 VanDerWaalsContact O-N 3.17Å
336V35.4Very low34.7Very low124 Ų124150.2 Ų150.275%0.75275%0.752SS**PPolyproline II helixtrans-61.5119170.9171.90000106.3R334 I338R334-V336 PolarHBondContact O-N 2.74Å; V336-I338 HydrophobicContact CG1-CG1 4.43Å; V336-I338 PolarHBondContact O-N 2.84Å; V336-I338 VanDerWaalsContact O-N 3.13Å
337T33.2Very low34.5Very low102 Ų102146.5 Ų146.563%0.62675%0.747SS**  trans-75.8103.3178-53.10000107.1P335 Y339P335-T337 PolarHBondContact O-N 2.87Å; P335-T337 VanDerWaalsContact O-N 3.17Å; T337-Y339 PolarHBondContact O-N 2.77Å
338I30.2Very low34.2Very low147 Ų147142.3 Ų142.375%0.75474%0.742SS**  trans-84.3108.7174.9-51.9175000106.5V336 S340V336-I338 HydrophobicContact CG1-CG1 4.43Å; V336-I338 PolarHBondContact O-N 2.84Å; V336-I338 VanDerWaalsContact O-N 3.13Å; I338-S340 PolarHBondContact O-N 2.96Å; I338-S340 VanDerWaalsContact O-N 3.17Å
339Y27.6Very low34Very low203 Ų203137.6 Ų137.680%0.79674%0.738SS**  trans-70.5106.5169.2-63.4-82.1000108T337 T341T337-Y339 PolarHBondContact O-N 2.77Å; Y339-T341 PolarHBondContact O-N 3.11Å
340S32.1Very low33.8Very low103 Ų103131.4 Ų131.472%0.7272%0.722SS**  trans-78.9104.716869.90000108.1I338I338-S340 PolarHBondContact O-N 2.96Å; I338-S340 VanDerWaalsContact O-N 3.17Å
341T29Very low33.4Very low105 Ų105130.2 Ų130.264%0.64472%0.716SS**  trans-63.5139.4159.650.90000107.8Y339 N343Y339-T341 PolarHBondContact O-N 3.11Å; T341-N343 PolarHBondContact O-N 3.13Å
342N33.9Very low33.2Very low165 Ų165127.8 Ų127.888%0.88271%0.711SS**  trans-67.657.4174.6-75.2-28.7000111
343N30.4Very low33.3Very low122 Ų122130.1 Ų130.165%0.65271%0.71SS**  trans-72.8129.7162.9-81.6-25.6000106.7T341 T345T341-N343 PolarHBondContact O-N 3.13Å; N343-T345 PolarHBondContact O-N 2.98Å
344P34Very low33.3Very low115 Ų115129.2 Ų129.275%0.74770%0.697SS**  trans-54115.9175.322.5-31.5000107.5T346P344-T346 VanDerWaalsContact C-N 3.26Å; P344-T346 PolarHBondContact O-N 2.81Å
345T32.9Very low33.8Very low119 Ų119124.1 Ų124.173%0.7369%0.685SS**  trans-63.593.1175.55.70000106.9N343 N347N343-T345 PolarHBondContact O-N 2.98Å; T345-N347 PolarHBondContact O-N 2.86Å
346T36.9Very low33.8Very low119 Ų119126.5 Ų126.573%0.7368%0.679SS**  trans-61.895.1156.735.60000105.5P344 T348P344-T346 VanDerWaalsContact C-N 3.26Å; P344-T346 PolarHBondContact O-N 2.81Å; T346-T348 PolarHBondContact O-N 2.92Å
347N34.9Very low34Very low130 Ų130128.9 Ų128.970%0.69568%0.679SS**  trans-63.986.3170-74.6-31.4000106.8T345 T349T345-N347 PolarHBondContact O-N 2.86Å; N347-T349 VanDerWaalsContact C-N 3.33Å; N347-T349 PolarHBondContact O-N 2.98Å
348T34.6Very low34.2Very low110 Ų110128.7 Ų128.768%0.67569%0.688SS**  trans-73.694.3169.448.30000106.9T346 I350T346-T348 PolarHBondContact O-N 2.92Å; T348-I350 PolarHBondContact O-N 2.82Å; T348-I350 VanDerWaalsContact O-N 3.16Å
349T33.1Very low34.7Very low117 Ų117128.1 Ų128.172%0.71869%0.685SS**  trans-67.9109167.9-460000107.5N347 E351N347-T349 VanDerWaalsContact C-N 3.33Å; N347-T349 PolarHBondContact O-N 2.98Å; T349-E351 PolarHBondContact O-N 2.85Å
350I36.6Very low35.3Very low113 Ų113123.8 Ų123.858%0.57968%0.682SS**  trans-84.598.4177.5-56.3173.2000107.2T348 T352T348-I350 PolarHBondContact O-N 2.82Å; T348-I350 VanDerWaalsContact O-N 3.16Å; I350-T352 HydrophobicContact CG2-CG2 4.32Å
351E32.3Very low35.7Very low139 Ų139122.8 Ų122.865%0.6568%0.68SS**  trans-84.8107.9167.3-74.2-169.8178.400109.5T349 K353T349-E351 PolarHBondContact O-N 2.85Å; E351-K353 PolarHBondContact O-N 2.8Å; E351-K353 WeakPolarHBondContact OE2-CE 3.49Å; E351-K353 IonicContact OE2-NZ 3.88Å
352T34Very low36.5Very low94 Ų94125.7 Ų125.758%0.57769%0.686SS**  trans-82.6106.216850.70000109.3W129 I350W129-T352 HydrophobicContact CE3-CG2 4.15Å; W129-T352 HydrophobicContact CZ3-CG2 4.3Å; I350-T352 HydrophobicContact CG2-CG2 4.32Å
353K34.5Very low36.9Very low140 Ų140125.3 Ų125.361%0.60968%0.684SS**  trans-91.1128.8171-70.9-176.9-179.4176.30109.9E351 I355E351-K353 PolarHBondContact O-N 2.8Å; E351-K353 WeakPolarHBondContact OE2-CE 3.49Å; E351-K353 IonicContact OE2-NZ 3.88Å; K353-I355 PolarHBondContact O-N 3.04Å
354Q37Very low37.2Very low110 Ų110129.6 Ų129.651%0.51469%0.691SS.*  trans-73.2112.3170.5-172173.78.800108.2W356Q354-W356 HydrophobicContact CG-CZ2 4.35Å; Q354-W356 VanDerWaalsContact NE2-CH2 3.33Å
355I41.7Very low37.6Very low111 Ų111128.7 Ų128.757%0.56969%0.688SS**PPolyproline II helixtrans-103.3120.7175.8-57.2173.3000107.4K353K353-I355 PolarHBondContact O-N 3.04Å
356W36.6Very low38.1Very low168 Ų168131 Ų13164%0.63670%0.696SS**PPolyproline II helixtrans-84.2121.1172-59.195.8000108.3I125 Q354I125-W356 HydrophobicContact CB-CZ3 4.45Å; I125-W356 HydrophobicContact CD1-CE3 4.48Å; I125-W356 HydrophobicContact CD1-CZ3 4.26Å; I125-W356 HydrophobicContact CG2-CE3 4.25Å; I125-W356 HydrophobicContact CG2-CZ3 4.09Å; Q354-W356 HydrophobicContact CG-CZ2 4.35Å; Q354-W356 VanDerWaalsContact NE2-CH2 3.33Å
357K38.9Very low38.3Very low174 Ų174130.8 Ų130.876%0.75769%0.694SS**PPolyproline II helixtrans-83.4123.5168.4-71.3-174.9176.7-178.60107.7I359K357-I359 PolarHBondContact O-N 2.98Å
358A36.8Very low38.7Very low99 Ų99133.1 Ų133.182%0.81870%0.701SS**PPolyproline II helixtrans-64121.9168.600000108
359I40.4Very low38.9Very low134 Ų134139 Ų13969%0.68771%0.711SS**PPolyproline II helixtrans-69.7128.7168.2-59.3173.9000105.7K357 A361K357-I359 PolarHBondContact O-N 2.98Å; I359-A361 PolarHBondContact O-N 3.35Å; I359-A361 VanDerWaalsContact O-N 3.13Å
360P40Very low39.2Very low113 Ų113139.5 Ų139.573%0.73471%0.714SS**PPolyproline II helixtrans-57.8122175.222.7-30.8000108.4Q362P360-Q362 PolarHBondContact O-N 3.02Å
361A41.3Very low39.5Very low82 Ų82140.1 Ų140.168%0.67872%0.722SS**  trans-58.2112.8176.200000107.9I359 N363I359-A361 PolarHBondContact O-N 3.35Å; I359-A361 VanDerWaalsContact O-N 3.13Å; A361-N363 PolarHBondContact O-N 3.11Å
362Q45.2Very low39.7Very low166 Ų166144.3 Ų144.378%0.77673%0.732SS**  trans-61.7108.9-179.1-169.4142.5-10.200108.6P360 W364P360-Q362 PolarHBondContact O-N 3.02Å; Q362-W364 PolarHBondContact O-N 3.28Å
363N42.9Very low40.1Very low157 Ų157145.4 Ų145.484%0.8474%0.744SS**  trans-2.384.3175.6-62.2-25.8000114.1A361 S365A361-N363 PolarHBondContact O-N 3.11Å; N363-S365 PolarHBondContact O-N 2.86Å
364W36.7Very low40.1Very low212 Ų212141 Ų14180%0.80374%0.738SS**  trans-70.3105.4166.6-72.356.8000104.6Q362 D366Q362-W364 PolarHBondContact O-N 3.28Å; W364-D366 PolarHBondContact O-N 3.43Å; W364-D366 VanDerWaalsContact O-N 3.17Å
365S42.5Very low40.2Very low95 Ų95142.2 Ų142.266%0.66475%0.753SS**  trans-52.6124.6170.341.10000107.3N363 T367N363-S365 PolarHBondContact O-N 2.86Å; S365-T367 PolarHBondContact O-N 3.07Å; S365-T367 PolarHBondContact O-OG1 2.8Å; S365-T367 PolarHBondContact OG-OG1 2.84Å
366D43.4Very low40.3Very low168 Ų168145.2 Ų145.290%0.89876%0.763SS**  trans-59.176.2173.7-77.4-43.3000108.8W364 Q368W364-D366 PolarHBondContact O-N 3.43Å; W364-D366 VanDerWaalsContact O-N 3.17Å; D366-Q368 VanDerWaalsContact C-N 3.31Å; D366-Q368 PolarHBondContact O-N 3.12Å
367T41.7Very low40.3Very low115 Ų115144.6 Ų144.671%0.70677%0.77SS**  trans-78.697.2-176-440000104.1S365 R369S365-T367 PolarHBondContact O-N 3.07Å; S365-T367 PolarHBondContact O-OG1 2.8Å; S365-T367 PolarHBondContact OG-OG1 2.84Å; T367-R369 PolarHBondContact O-N 2.88Å
368Q41.7Very low40.4Very low179 Ų179141.7 Ų141.784%0.83677%0.767SS**  trans3.389.8170.3-64-164.7-5.600112.4D366 T370D366-Q368 VanDerWaalsContact C-N 3.31Å; D366-Q368 PolarHBondContact O-N 3.12Å; Q368-T370 VanDerWaalsContact C-N 3.26Å; Q368-T370 PolarHBondContact O-N 3.01Å
369R39Very low40.4Very low234 Ų234142.6 Ų142.688%0.88376%0.763SS**  trans-59.597.1172.8-158.3-178.7-137.6-106.93.3106T367 V371T367-R369 PolarHBondContact O-N 2.88Å; R369-V371 VanDerWaalsContact C-N 3.31Å; R369-V371 WeakPolarHBondContact O-CG2 3.45Å; R369-V371 PolarHBondContact O-N 2.88Å
370T40.2Very low40.2Very low127 Ų127142.1 Ų142.178%0.77977%0.766SS**  trans-54.8102.9173.6-47.20000105.9Q368 R372Q368-T370 VanDerWaalsContact C-N 3.26Å; Q368-T370 PolarHBondContact O-N 3.01Å; T370-R372 PolarHBondContact O-N 2.91Å
371V43Very low40.1Very low125 Ų125145.4 Ų145.476%0.75877%0.769SS**  trans-69.786.4-176.7-174.70000105.5R369 S373R369-V371 VanDerWaalsContact C-N 3.31Å; R369-V371 WeakPolarHBondContact O-CG2 3.45Å; R369-V371 PolarHBondContact O-N 2.88Å; V371-S373 PolarHBondContact O-N 3.01Å
372R36.3Very low39.8Very low228 Ų228151 Ų15186%0.8678%0.778SS**  trans-56.3119.5163.8-87.2-178169.5-111.30.8105.4T370 G374T370-R372 PolarHBondContact O-N 2.91Å; R372-G374 PolarHBondContact O-N 3Å
373S41.9Very low39.5Very low117 Ų117150.5 Ų150.582%0.81878%0.779SS**  trans-64.467.6174.457.70000109.7V371V371-S373 PolarHBondContact O-N 3.01Å
374G34.8Very low39.3Very low47 Ų47148.7 Ų148.749%0.48578%0.776SS.*  trans-84.2113166.500000106.9R372 F376R372-G374 PolarHBondContact O-N 3Å; G374-F376 WeakPolarHBondContact O-CD2 3.48Å; G374-F376 PolarHBondContact O-N 3.2Å
375T39.4Very low39.3Very low136 Ų136147 Ų14783%0.83478%0.783SS**  trans-53.7105.2173.7-390000108.6I377T375-I377 PolarHBondContact O-N 2.84Å; T375-I377 VanDerWaalsContact O-N 3.13Å
376F42.8Very low39Very low174 Ų174145.7 Ų145.776%0.76379%0.785SS**  trans-64.5117.4172.6-68.1-83.9000107.2G374 T378G374-F376 WeakPolarHBondContact O-CD2 3.48Å; G374-F376 PolarHBondContact O-N 3.2Å; F376-T378 HydrophobicContact CB-CG2 4.45Å; F376-T378 PolarHBondContact O-N 2.85Å
377I38.5Very low38.7Very low155 Ų155149.2 Ų149.280%0.79579%0.785SS**  trans-70.784.2167.4-54.3174.3000105.8T375 T379T375-I377 PolarHBondContact O-N 2.84Å; T375-I377 VanDerWaalsContact O-N 3.13Å; I377-T379 HydrophobicContact CG2-CG2 4.22Å; I377-T379 PolarHBondContact O-N 3.18Å
378T40Very low38.6Very low112 Ų112154.9 Ų154.969%0.68779%0.794SS**  trans-6899.2169.5460000106.9F376 T380F376-T378 HydrophobicContact CB-CG2 4.45Å; F376-T378 PolarHBondContact O-N 2.85Å; T378-T380 PolarHBondContact O-N 2.97Å
379T36.6Very low38.6Very low119 Ų119151.3 Ų151.373%0.7379%0.786SS**  trans-73.682.2166.551.90000107.7I377 K381I377-T379 HydrophobicContact CG2-CG2 4.22Å; I377-T379 PolarHBondContact O-N 3.18Å; T379-K381 PolarHBondContact O-N 2.88Å
380T36.7Very low38.8Very low124 Ų124147.9 Ų147.976%0.76179%0.785SS**  trans-63.893.9161.410.50000106.5T378 K382T378-T380 PolarHBondContact O-N 2.97Å; T380-K382 VanDerWaalsContact C-N 3.32Å; T380-K382 PolarHBondContact O-N 2.7Å
381K36.9Very low39Very low181 Ų181147.2 Ų147.279%0.78778%0.781SS**  trans-56.3104.9162-75.6-176.6177.9178.20105.8T379 L383T379-K381 PolarHBondContact O-N 2.88Å; K381-L383 VanDerWaalsContact C-N 3.35Å; K381-L383 PolarHBondContact O-N 2.84Å
382K35.2Very low38.7Very low200 Ų200145.3 Ų145.387%0.8777%0.773SS**  trans-54.6103.6167.2-81.9-177.1173.5-178.60106.2T380T380-K382 VanDerWaalsContact C-N 3.32Å; T380-K382 PolarHBondContact O-N 2.7Å
383L38.4Very low38.7Very low155 Ų155141.9 Ų141.981%0.81277%0.772SS**  trans-61.8128165.2-85.796.6000106.5K381 N385K381-L383 VanDerWaalsContact C-N 3.35Å; K381-L383 PolarHBondContact O-N 2.84Å; L383-N385 PolarHBondContact O-N 2.61Å; L383-N385 VanDerWaalsContact O-N 3.12Å
384P39.6Very low38.4Very low119 Ų119144.4 Ų144.477%0.77377%0.771SS**  trans-67.7112.1-175.126-32000109.1G386P384-G386 PolarHBondContact O-N 2.96Å
385N36.6Very low38.7Very low178 Ų178147.4 Ų147.495%0.95278%0.784SS**SBendtrans25.529.9156.2-75.216.6000120L383L383-N385 PolarHBondContact O-N 2.61Å; L383-N385 VanDerWaalsContact O-N 3.12Å
386G36Very low38.6Very low67 Ų67146.2 Ų146.269%0.69178%0.781SS**  trans-96.9111.8173.500000107.5P384 R388P384-G386 PolarHBondContact O-N 2.96Å; G386-R388 PolarHBondContact O-N 2.87Å
387R38Very low38.3Very low241 Ų241141.1 Ų141.191%0.90978%0.778SS**  trans-11.5120.2172.2-70.4176.7175.4-179.2-3.2113.5P389R387-P389 WeakPolarHBondContact O-CD 3.41Å; R387-P389 VanDerWaalsContact O-N 3.13Å
388R38Very low38.1Very low234 Ų234140.3 Ų140.388%0.88378%0.78SS**  trans-43.9123161.3-91.2-178.4171.7-179.7-3.2107.1G386 D390G386-R388 PolarHBondContact O-N 2.87Å; R388-D390 PolarHBondContact O-N 3.13Å; R388-D390 VanDerWaalsContact O-N 3.11Å
389P43.4Very low38Very low104 Ų104139.7 Ų139.768%0.67578%0.78SS**  trans-59.9120.1161.324-27.2000105.4R387 V391R387-P389 WeakPolarHBondContact O-CD 3.41Å; R387-P389 VanDerWaalsContact O-N 3.13Å; P389-V391 HydrophobicContact CB-CG2 4.23Å; P389-V391 HydrophobicContact CG-CG2 4.21Å; P389-V391 PolarHBondContact O-N 2.81Å
390D41.7Very low37.9Very low162 Ų162142.5 Ų142.587%0.86679%0.785SS**  trans-56.989.1156.6-91-38000105.3R388 S392R388-D390 PolarHBondContact O-N 3.13Å; R388-D390 VanDerWaalsContact O-N 3.11Å; D390-S392 PolarHBondContact O-N 3.08Å
391V45.6Very low38Very low114 Ų114149.5 Ų149.569%0.69181%0.806SS**  trans-75.786.8163.6-174.40000103.1P389 N393P389-V391 HydrophobicContact CB-CG2 4.23Å; P389-V391 HydrophobicContact CG-CG2 4.21Å; P389-V391 PolarHBondContact O-N 2.81Å; V391-N393 PolarHBondContact O-N 2.77Å; V391-N393 VanDerWaalsContact O-N 3.08Å
392S36Very low38Very low85 Ų85148 Ų14859%0.59481%0.807SS**  trans-48.6116.5163.143.60000106.6D390 E394D390-S392 PolarHBondContact O-N 3.08Å; S392-E394 PolarHBondContact O-N 3.06Å
393N37.3Very low38.2Very low156 Ų156145.2 Ų145.283%0.83480%0.803SS**  trans-63.975.8163.9-78.1-30.3000107.1V391 S395V391-N393 PolarHBondContact O-N 2.77Å; V391-N393 VanDerWaalsContact O-N 3.08Å; N393-S395 PolarHBondContact O-N 2.91Å
394E34.8Very low38.2Very low169 Ų169144.7 Ų144.779%0.7980%0.803SS**  trans-73.386.1156.2-81.3-175.1171.600105.9S392 S396S392-E394 PolarHBondContact O-N 3.06Å; E394-S396 PolarHBondContact O-N 3.14Å
395S40.4Very low38.1Very low110 Ų110146.2 Ų146.277%0.76981%0.805SS**  trans-56.390.1153.550.10000106.9N393 G397N393-S395 PolarHBondContact O-N 2.91Å; S395-G397 PolarHBondContact O-N 3.25Å
396S38.9Very low38.2Very low111 Ų111144.2 Ų144.278%0.77680%0.795SS**  trans-67.980.4165.140.60000107.6E394 V398E394-S396 PolarHBondContact O-N 3.14Å; S396-V398 PolarHBondContact O-N 2.78Å
397G34.8Very low38.3Very low68 Ų68149.3 Ų149.370%0.70180%0.802SS**  trans-58.8115.2164.500000107.8S395 S399S395-G397 PolarHBondContact O-N 3.25Å; G397-S399 PolarHBondContact O-N 2.8Å; G397-S399 VanDerWaalsContact O-N 3.14Å
398V36.3Very low38.3Very low138 Ų138142.8 Ų142.884%0.83680%0.795SS**  trans-69.7105.3165-178.30000105.4S396 E400S396-V398 PolarHBondContact O-N 2.78Å; V398-E400 PolarHBondContact O-N 2.99Å
399S37.5Very low38.4Very low98 Ų98135.8 Ų135.869%0.68579%0.788SS**  trans-69.4113.5176.1-178.20000108.8G397 F401G397-S399 PolarHBondContact O-N 2.8Å; G397-S399 VanDerWaalsContact O-N 3.14Å; S399-F401 PolarHBondContact O-N 2.85Å
400E34.5Very low37.9Very low178 Ų178138.4 Ų138.483%0.83280%0.797SS**  trans-82.182163.3-71.6-177.9165.700108.6V398V398-E400 PolarHBondContact O-N 2.99Å
401F37.7Very low37.6Very low272 Ų272136.3 Ų136.3100%1.19379%0.791SS**  trans-156.40157.3-87.3-66.4000110.7S399S399-F401 PolarHBondContact O-N 2.85Å

Retrieved 401 of 401 residues in 582.7 ms (Link to these results)