A0A5K4F0K7_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0K7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 922 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M37.6Very low32.4Very low239 Ų239153.6 Ų153.6100%1.17782%0.816SS**  0131.20-74.9161.464.300107.3
2Y32Very low32.4Very low234 Ų234152.2 Ų152.292%0.91882%0.817SS**  trans-75.8156174.7-81.9-88.2000111.1
3P34.9Very low31.9Very low97 Ų97152.9 Ų152.963%0.6382%0.821SS**  trans-82140.6-167.2-9.927.9000113.3Y5P3-Y5 HydrophobicContact CB-CD2 4.2Å; P3-Y5 HydrophobicContact CB-CE2 4.14Å; P3-Y5 HydrophobicContact CG-CE2 4.35Å; P3-Y5 PolarHBondContact O-N 3.48Å
4S33.8Very low31.7Very low125 Ų125149.6 Ų149.687%0.87481%0.812SS**  trans-73.5108.5165.8155.10000109.7
5Y33.1Very low31.5Very low186 Ų186148.6 Ų148.673%0.72980%0.804SS**  trans-93.7121.7176.5-95.5-87000113P3P3-Y5 HydrophobicContact CB-CD2 4.2Å; P3-Y5 HydrophobicContact CB-CE2 4.14Å; P3-Y5 HydrophobicContact CG-CE2 4.35Å; P3-Y5 PolarHBondContact O-N 3.48Å
6N31.6Very low31.5Very low115 Ų115148.8 Ų148.862%0.61580%0.804SS**  trans52.5113138.2-70.2-4.3000122.3
7N29.8Very low31.5Very low132 Ų132148.2 Ų148.271%0.70680%0.801SS**  60.9104.6114.5-53.8-17.7000120.8
8S34.3Very low31.3Very low115 Ų115146.6 Ų146.680%0.80480%0.796SS**  -159.8100.8127.355.30000108.4
9C26.5Very low31.5Very low113 Ų113144.9 Ų144.976%0.76479%0.794SS**  50.989.675.6-62.30000113.7
10K33.9Very low31.4Very low208 Ų208147.6 Ų147.690%0.90480%0.797SS**  trans-149.5105.8143.3-111.6171.3-172.6178.60109.8
11C28.9Very low31.5Very low126 Ų126148 Ų14885%0.85180%0.797SS**  trans-83.9134.1177.5-53.50000109.6
12T32.7Very low30.9Very low136 Ų136142.1 Ų142.183%0.83478%0.779SS**  trans-129.696.9166.749.30000110.8
13N25.6Very low30.9Very low162 Ų162135.7 Ų135.787%0.86677%0.769SS**  trans56147.2158.8-70.7-9.9000122.5
14P28.8Very low30.5Very low106 Ų106136 Ų13669%0.68877%0.773SS**  trans-108.1-167.7-177.134.7-15.6000112.1
15I28.6Very low30.2Very low135 Ų135140.7 Ų140.769%0.69277%0.773SS**  trans78.884168.3-48.2157.2000114.3
16N32.2Very low29.9Very low151 Ų151143.8 Ų143.881%0.80778%0.784SS**  -145.891.3123.3-106.6-29.5000110.9
17N30.8Very low29.8Very low140 Ų140146.1 Ų146.175%0.74980%0.796SS**  trans23.1100.7152-60.8-20000118.5
18V29Very low29.7Very low119 Ų119143.2 Ų143.272%0.72180%0.797SS**  trans-89.3121.1161176.40000109.2K20V18-K20 HydrophobicContact CG1-CG 4.18Å; V18-K20 PolarHBondContact O-N 3.35Å
19P34.3Very low29.4Very low115 Ų115143.9 Ų143.975%0.74780%0.801SS**  trans-74.2102157.8-3.521.2000107.8I21P19-I21 PolarHBondContact O-N 3.23Å
20K30Very low29.7Very low197 Ų197143.2 Ų143.286%0.85780%0.803SS**  trans-72.8115.4164.6-76.4-179.4177.3176.30107.8V18V18-K20 HydrophobicContact CG1-CG 4.18Å; V18-K20 PolarHBondContact O-N 3.35Å
21I32.5Very low29.7Very low157 Ų157139.8 Ų139.881%0.80580%0.8SS**  trans-124115.3160-46.5-179.5000107.9P19P19-I21 PolarHBondContact O-N 3.23Å
22S25.5Very low30Very low115 Ų115142.9 Ų142.980%0.80480%0.802SS**  trans-95.8119.4178.150.60000110.4
23S32.2Very low30Very low99 Ų99141.8 Ų141.869%0.69280%0.8SS**  trans-155.6105159.659.50000112.4
24S27.5Very low30.4Very low103 Ų103139.3 Ų139.372%0.7280%0.795SS**  trans34.8109.3141.158.20000120.2
25Y27Very low30.6Very low225 Ų225140.1 Ų140.188%0.88280%0.801SS**  trans22.7111.9130.1-74.7-94.1000118.9
26R26.2Very low30.9Very low250 Ų250143.4 Ų143.494%0.94381%0.81SS**  -152.9133.8125.8-127.7178-173.7-166.11.7112.1G28R26-G28 PolarHBondContact O-N 3.3Å
27N29.4Very low30.9Very low164 Ų164142.6 Ų142.688%0.87781%0.81SS**  trans-65.9119.2175.3-64.6-28.1000109.9
28G28.6Very low31.2Very low71 Ų71143 Ų14373%0.73281%0.81SS**  trans-122.1119.716500000108.5R26 A30R26-G28 PolarHBondContact O-N 3.3Å; G28-A30 PolarHBondContact O-N 3.22Å
29C27.5Very low31.6Very low130 Ų130142.5 Ų142.588%0.87881%0.81SS**  trans-60.5130.8-178.3-63.80000110.7T31C29-T31 PolarHBondContact O-N 3.02Å; C29-T31 VanDerWaalsContact O-N 3.09Å
30A33.2Very low31.5Very low99 Ų99148.6 Ų148.682%0.81882%0.818SS**  trans-65.7108.8175.700000110G28 E32G28-A30 PolarHBondContact O-N 3.22Å; A30-E32 PolarHBondContact O-N 3.04Å
31T32.9Very low31.6Very low136 Ų136145.2 Ų145.283%0.83481%0.809SS**  trans-69114.3166.523.20000108.9C29 S33C29-T31 PolarHBondContact O-N 3.02Å; C29-T31 VanDerWaalsContact O-N 3.09Å; T31-S33 PolarHBondContact O-N 3.32Å; T31-S33 VanDerWaalsContact O-N 3.15Å
32E35.3Very low31.8Very low190 Ų190147.1 Ų147.189%0.88881%0.812SS**PPolyproline II helixtrans-56.7117.6177.3-63-178.5157.200110A30 S34A30-E32 PolarHBondContact O-N 3.04Å; E32-S34 PolarHBondContact O-N 3.36Å
33S34.1Very low32.3Very low114 Ų114148.9 Ų148.980%0.79781%0.807SS**PPolyproline II helixtrans-71.8119.3-176.158.40000110.9T31T31-S33 PolarHBondContact O-N 3.32Å; T31-S33 VanDerWaalsContact O-N 3.15Å
34S33.8Very low32.1Very low109 Ų109151.7 Ų151.776%0.76281%0.814SS**PPolyproline II helixtrans-49.7140.1172.9-49.40000111.8E32 K36E32-S34 PolarHBondContact O-N 3.36Å; S34-K36 PolarHBondContact O-N 3.21Å
35P33.1Very low32.4Very low124 Ų124151.2 Ų151.281%0.80582%0.816SS**PPolyproline II helixtrans-63.3125-172.123.9-33.7000112.1V37P35-V37 PolarHBondContact O-N 3.16Å; P35-V37 VanDerWaalsContact O-N 3.12Å
36K33.5Very low32.6Very low203 Ų203144.8 Ų144.888%0.88381%0.81SS**  trans-68.6105.2-178.5-161.3173.2-172.9176.60109.9S34 I38S34-K36 PolarHBondContact O-N 3.21Å; K36-I38 PolarHBondContact O-N 3Å; K36-I38 VanDerWaalsContact O-N 3.1Å
37V33.4Very low32.8Very low134 Ų134137.4 Ų137.481%0.81280%0.797SS**  trans-64.9110.4178.7178.90000109.5P35 P39P35-V37 PolarHBondContact O-N 3.16Å; P35-V37 VanDerWaalsContact O-N 3.12Å; V37-P39 WeakPolarHBondContact O-CD 3.46Å
38I36.8Very low33Very low148 Ų148135.9 Ų135.976%0.75979%0.794SS**PPolyproline II helixtrans-76.6120.5175.3-59.1174.4000108.1K36 R40K36-I38 PolarHBondContact O-N 3Å; K36-I38 VanDerWaalsContact O-N 3.1Å; I38-R40 PolarHBondContact O-N 3.05Å
39P37.1Very low33Very low109 Ų109140.2 Ų140.271%0.70880%0.795SS**PPolyproline II helixtrans-66.3124.6175.727-32.8000109.8V37 N41V37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-N41 PolarHBondContact O-N 3.38Å
40R31.8Very low33.3Very low244 Ų244140.2 Ų140.292%0.92179%0.79SS**PPolyproline II helixtrans-63.9127.9173.3-80.6-179.2171.3157-2.6109.7I38 K42I38-R40 PolarHBondContact O-N 3.05Å; R40-K42 PolarHBondContact O-N 3.39Å
41N32.3Very low33.1Very low126 Ų126145.1 Ų145.167%0.67479%0.794SS**PPolyproline II helixtrans-54.2130177.4-81.9-8.6000111.6P39 H43P39-N41 PolarHBondContact O-N 3.38Å; N41-H43 VanDerWaalsContact CB-CD2 3.42Å; N41-H43 WeakPolarHBondContact CB-CD2 3.44Å; N41-H43 PolarHBondContact ND2-NE2 3.41Å; N41-H43 PolarHBondContact O-N 2.99Å
42K36.9Very low33Very low196 Ų196146.7 Ų146.785%0.85279%0.791SS**  trans-73.671.8167.5-65-179.4178.8-179.60110R40 N44R40-K42 PolarHBondContact O-N 3.39Å; K42-N44 PolarHBondContact O-N 3.49Å; K42-N44 VanDerWaalsContact O-N 3.13Å
43H35Very low32.8Very low153 Ų153145.8 Ų145.871%0.70879%0.787SS**  trans-77.597168.5-77.1-68.1000109.4N41 A45N41-H43 VanDerWaalsContact CB-CD2 3.42Å; N41-H43 WeakPolarHBondContact CB-CD2 3.44Å; N41-H43 PolarHBondContact ND2-NE2 3.41Å; N41-H43 PolarHBondContact O-N 2.99Å; H43-A45 PolarHBondContact O-N 3.3Å
44N29.6Very low32.7Very low157 Ų157146.6 Ų146.684%0.8478%0.782SS**  trans-67.175.9170.1-69.8-12.7000110.2K42 A46K42-N44 PolarHBondContact O-N 3.49Å; K42-N44 VanDerWaalsContact O-N 3.13Å; N44-A46 PolarHBondContact O-N 3.47Å
45A32.6Very low32.6Very low93 Ų93147.9 Ų147.977%0.76978%0.781SS**  trans-81.686.1167.200000108.7H43 S47H43-A45 PolarHBondContact O-N 3.3Å; A45-S47 VanDerWaalsContact C-N 3.32Å; A45-S47 PolarHBondContact O-N 3.12Å
46A32.7Very low32.5Very low90 Ų90153.2 Ų153.274%0.74479%0.785SS**  trans-69.388.9173.400000109.9N44 T48N44-A46 PolarHBondContact O-N 3.47Å; A46-T48 PolarHBondContact O-N 3.45Å
47S30.4Very low32.6Very low96 Ų96150.4 Ų150.467%0.67178%0.78SS**  trans-73.795.2172.8-172.90000109.6A45 Q49A45-S47 VanDerWaalsContact C-N 3.32Å; A45-S47 PolarHBondContact O-N 3.12Å; S47-Q49 PolarHBondContact O-N 3.29Å
48T31.8Very low32.6Very low132 Ų132149.5 Ų149.581%0.8178%0.779SS**  trans-73.860.617138.20000111.2A46 V50A46-T48 PolarHBondContact O-N 3.45Å; T48-V50 PolarHBondContact O-N 3.32Å; T48-V50 VanDerWaalsContact O-N 3.15Å
49Q29.5Very low32.2Very low162 Ų162148.9 Ų148.976%0.75778%0.777SS**  trans-75.7102.1163.5-81.4-171.5-18.500109.1S47 F51S47-Q49 PolarHBondContact O-N 3.29Å; Q49-F51 PolarHBondContact O-N 3.16Å; Q49-F51 VanDerWaalsContact O-N 3.14Å
50V33.5Very low32Very low129 Ų129152.9 Ų152.978%0.78278%0.784SS**  trans-54.2115.4168.2-179.70000107.7T48 Q52T48-V50 PolarHBondContact O-N 3.32Å; T48-V50 VanDerWaalsContact O-N 3.15Å; V50-Q52 VanDerWaalsContact C-N 3.35Å; V50-Q52 PolarHBondContact O-N 2.9Å
51F30.1Very low32Very low203 Ų203147 Ų14789%0.8978%0.78SS**  trans-64.598.9170.5-85.7-90.4000108.1Q49 Q53Q49-F51 PolarHBondContact O-N 3.16Å; Q49-F51 VanDerWaalsContact O-N 3.14Å; F51-Q53 VanDerWaalsContact C-N 3.35Å; F51-Q53 PolarHBondContact O-N 2.82Å
52Q29.8Very low32Very low169 Ų169144.4 Ų144.479%0.7978%0.776SS**  trans-61.6104.1162.6-79.2-177.1-23.200107.2V50 N54V50-Q52 VanDerWaalsContact C-N 3.35Å; V50-Q52 PolarHBondContact O-N 2.9Å; Q52-N54 VanDerWaalsContact C-N 3.33Å; Q52-N54 PolarHBondContact O-N 2.92Å
53Q30.6Very low31.9Very low171 Ų171140 Ų14080%0.79977%0.77SS**  trans-66.894.4177.1-173.21703.400107.3F51 N55F51-Q53 VanDerWaalsContact C-N 3.35Å; F51-Q53 PolarHBondContact O-N 2.82Å; Q53-N55 PolarHBondContact O-N 2.89Å
54N31.9Very low31.8Very low130 Ų130138.7 Ų138.770%0.69577%0.773SS**  trans-60.9103.7175-79-30.4000108.3Q52 W56Q52-N54 VanDerWaalsContact C-N 3.33Å; Q52-N54 PolarHBondContact O-N 2.92Å; N54-W56 PolarHBondContact O-N 3.01Å
55N32Very low32.1Very low136 Ų136138.3 Ų138.373%0.72777%0.77SS**  trans-63.397.9169-72.3-23.4000107.9Q53 D57Q53-N55 PolarHBondContact O-N 2.89Å; N55-D57 PolarHBondContact O-N 3.06Å
56W32.1Very low32Very low236 Ų236141.2 Ų141.289%0.89477%0.772SS**  trans-7799.5164.1-82.264.4000106.9N54 S58N54-W56 PolarHBondContact O-N 3.01Å; W56-S58 PolarHBondContact O-N 3.38Å
57D33.8Very low32.1Very low144 Ų144141.6 Ų141.677%0.7777%0.767SS**  trans-49.7123.4176-79.6-44.3000110.4N55 N59N55-D57 PolarHBondContact O-N 3.06Å; D57-N59 PolarHBondContact O-N 3.07Å
58S33.9Very low32.4Very low115 Ų115142.5 Ų142.580%0.80477%0.768SS**SBendtrans-69.67.3-176.7430000114.3W56W56-S58 PolarHBondContact O-N 3.38Å
59N29.8Very low32.6Very low135 Ų135140.1 Ų140.172%0.72276%0.757SS**  trans-111.366.1-171.1-72-26.6000112.7D57D57-N59 PolarHBondContact O-N 3.07Å
60K31.2Very low32.6Very low193 Ų193142.5 Ų142.584%0.83976%0.761SS**  trans-158.580.5150.7-108.8155.7-165.3175.20110.7A62K60-A62 PolarHBondContact O-N 3.32Å
61S31.6Very low32.6Very low122 Ų122142.7 Ų142.785%0.85376%0.757SS**  trans-6653.3158.642.90000111.3S63S61-S63 PolarHBondContact O-N 2.83Å
62A34Very low32.8Very low71 Ų71143.8 Ų143.859%0.58776%0.755SS**  trans-75.980.616900000108.2K60 T64K60-A62 PolarHBondContact O-N 3.32Å; A62-T64 PolarHBondContact O-N 3.32Å
63S34.8Very low32.9Very low102 Ų102146.8 Ų146.871%0.71376%0.759SS**  trans-63.485.1163.445.60000108.4S61 L65S61-S63 PolarHBondContact O-N 2.83Å; S63-L65 VanDerWaalsContact C-N 3.29Å; S63-L65 PolarHBondContact O-N 3.31Å
64T31.5Very low33Very low126 Ų126145.6 Ų145.677%0.77376%0.757SS**  trans-62.394.216935.80000108.3A62 L66A62-T64 PolarHBondContact O-N 3.32Å; T64-L66 PolarHBondContact O-N 2.91Å
65L35.8Very low33Very low150 Ų150147.8 Ų147.879%0.78576%0.757SS**  trans-54113.5170.7-81.5104.7000107.9S63S63-L65 VanDerWaalsContact C-N 3.29Å; S63-L65 PolarHBondContact O-N 3.31Å
66L32.1Very low32.9Very low153 Ų153150.7 Ų150.780%0.80176%0.764SS**  trans-57136.7170.2-79.6162.7000108.6T64 T68T64-L66 PolarHBondContact O-N 2.91Å; L66-T68 PolarHBondContact O-N 3.22Å; L66-T68 VanDerWaalsContact O-N 3.11Å
67P34.7Very low33.1Very low99 Ų99146.1 Ų146.164%0.64376%0.756SS**  trans-55.4120.1-174.4-27.234.4000112.3S69P67-S69 PolarHBondContact O-N 3.36Å
68T36.5Very low33.1Very low114 Ų114146.3 Ų146.370%0.69976%0.757SS**G310 helixtrans-65.11.3-177.833.20000114.5L66 Y70L66-T68 PolarHBondContact O-N 3.22Å; L66-T68 VanDerWaalsContact O-N 3.11Å; T68-Y70 VanDerWaalsContact C-N 3.33Å; T68-Y70 PolarHBondContact O-N 3.05Å
69S35.1Very low32.9Very low83 Ų83146.3 Ų146.358%0.5876%0.757SS**G310 helixtrans-66.4-27.4178.656.90000114P67P67-S69 PolarHBondContact O-N 3.36Å
70Y29.8Very low33.1Very low211 Ų211146.5 Ų146.583%0.82776%0.756SS**G310 helixtrans-76.7-26.2-178.5-103.2-88.8000114.6T68T68-Y70 VanDerWaalsContact C-N 3.33Å; T68-Y70 PolarHBondContact O-N 3.05Å
71L33.1Very low33Very low134 Ų134145.8 Ų145.870%0.70275%0.753SS**THydrogen-bonded Turntrans-83.2-20.9177.6-70.7174000113R73L71-R73 PolarHBondContact O-N 3.05Å; L71-R73 VanDerWaalsContact O-N 3.16Å
72R33.8Very low32.9Very low225 Ų225147.2 Ų147.285%0.84975%0.751SS**THydrogen-bonded Turntrans-73.9-5-172-132-178.4-162.7-168.96115.6
73R31.9Very low32.7Very low232 Ų232149.4 Ų149.488%0.87575%0.753SS**THydrogen-bonded Turntrans-98-6.7-179.7-158.2173.9-77.9-173.5-2.8114.4L71L71-R73 PolarHBondContact O-N 3.05Å; L71-R73 VanDerWaalsContact O-N 3.16Å
74L33Very low32.6Very low146 Ų146150.7 Ų150.776%0.76475%0.752SS**SBendtrans-102.3-8.8178.7-72.3176.5000115
75Y31.6Very low32.5Very low176 Ų176154.5 Ų154.569%0.6976%0.761SS**  trans-125.576.4175.8-64.1-82.9000111.3L77Y75-L77 HydrophobicContact CD1-CD1 3.97Å; Y75-L77 HydrophobicContact CD1-CG 4.45Å; Y75-L77 PolarHBondContact O-N 3.15Å; Y75-L77 VanDerWaalsContact O-N 3.1Å
76K31.7Very low32.2Very low198 Ų198155.2 Ų155.286%0.86176%0.762SS**  trans-74.576.1144.7-89.3-165.9170.8-166.90107.4
77L36.1Very low31.9Very low139 Ų139152.7 Ų152.773%0.72876%0.757SS**  trans-87121.8153.9-80.4164.1000105.5Y75 S79Y75-L77 HydrophobicContact CD1-CD1 3.97Å; Y75-L77 HydrophobicContact CD1-CG 4.45Å; Y75-L77 PolarHBondContact O-N 3.15Å; Y75-L77 VanDerWaalsContact O-N 3.1Å; L77-S79 PolarHBondContact O-N 3.29Å
78D33.5Very low31.6Very low149 Ų149155.4 Ų155.480%0.79777%0.765SS**  trans-66.798.2177-66.5-53.1000108.4I80D78-I80 VanDerWaalsContact C-N 3.3Å; D78-I80 PolarHBondContact O-N 3.09Å
79S29.5Very low31.3Very low114 Ų114155.1 Ų155.180%0.79777%0.765SS**  trans-68.592174.5-176.90000108.4L77 K81L77-S79 PolarHBondContact O-N 3.29Å; S79-K81 PolarHBondContact O-N 3.48Å
80I33.1Very low30.8Very low140 Ų140158.7 Ų158.772%0.71878%0.778SS**  trans-51.7127.1166.3-62.1172.2000107.2D78 N82D78-I80 VanDerWaalsContact C-N 3.3Å; D78-I80 PolarHBondContact O-N 3.09Å; I80-N82 PolarHBondContact O-N 3.2Å
81K29.1Very low30.8Very low177 Ų177153.4 Ų153.477%0.7777%0.771SS**  trans-69.299177.7-72.9-179.5174.4-177.40109S79 N83S79-K81 PolarHBondContact O-N 3.48Å; K81-N83 PolarHBondContact O-N 2.98Å
82N31.1Very low30.5Very low153 Ų153154.1 Ų154.182%0.81878%0.776SS**  trans-77.483.8156.5-71.91.4000107.1I80I80-N82 PolarHBondContact O-N 3.2Å
83N28.1Very low30.3Very low116 Ų116150.3 Ų150.362%0.6277%0.773SS**  trans-73.9168.7160.8-90.828.1000109.5K81K81-N83 PolarHBondContact O-N 2.98Å
84D33.1Very low30.1Very low130 Ų130146.2 Ų146.270%0.69577%0.773SS**  trans80.580.5162.6-47.7-30.3000115.8M86D84-M86 VanDerWaalsContact C-N 3.29Å; D84-M86 PolarHBondContact O-N 2.98Å
85E28.8Very low29.9Very low205 Ų205147.2 Ų147.296%0.95877%0.774SS**  trans-48.594142.3-63.6173.9138.400109.7S87E85-S87 PolarHBondContact O-N 3.11Å
86M30.5Very low29.8Very low165 Ų165146.1 Ų146.181%0.81378%0.78SS**  trans-94.396.6164.7-121.7-178.7-74.700109.6D84 I88D84-M86 VanDerWaalsContact C-N 3.29Å; D84-M86 PolarHBondContact O-N 2.98Å; M86-I88 PolarHBondContact O-N 3.19Å
87S26.5Very low29.5Very low100 Ų100148 Ų14870%0.69978%0.783SS**  trans-32.9125.2167.4510000113.7E85 P89E85-S87 PolarHBondContact O-N 3.11Å; S87-P89 WeakPolarHBondContact O-CD 3.43Å
88I27.4Very low29.1Very low156 Ų156148.7 Ų148.780%0.879%0.788SS**  trans-67.6113.8174.7-59.2166.2000109.4M86 N90M86-I88 PolarHBondContact O-N 3.19Å; I88-N90 PolarHBondContact O-N 3.32Å
89P29.6Very low28.9Very low108 Ų108150.5 Ų150.570%0.70179%0.792SS**  trans-85112.7171.2-1.822.9000108.6S87 S91S87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-S91 PolarHBondContact O-N 3.24Å
90N25.7Very low28.9Very low158 Ų158152.7 Ų152.785%0.84579%0.793SS**  trans-66.198.9166.4-94.2-15.9000109.3I88I88-N90 PolarHBondContact O-N 3.32Å
91S29.7Very low28.6Very low100 Ų100154.5 Ų154.570%0.69980%0.798SS**  trans-129.9101.1161.9620000109.8P89 N93P89-S91 PolarHBondContact O-N 3.24Å; S91-N93 PolarHBondContact O-N 3.41Å; S91-N93 VanDerWaalsContact O-N 3.14Å
92N27Very low28.6Very low149 Ų149153.7 Ų153.780%0.79780%0.802SS**  trans-61.7111.4169.7-56.9-39.1000108.6
93N28.4Very low28.3Very low146 Ų146149.7 Ų149.778%0.78180%0.797SS**  trans-139.5113.4157.7-101.6-7000108.2S91 E95S91-N93 PolarHBondContact O-N 3.41Å; S91-N93 VanDerWaalsContact O-N 3.14Å; N93-E95 VanDerWaalsContact C-N 3.31Å; N93-E95 PolarHBondContact O-N 3.26Å; N93-E95 VanDerWaalsContact O-N 3.16Å
94T27.9Very low28.2Very low145 Ų145154.2 Ų154.289%0.8981%0.806SS**  trans-90.963.1-169.8-47.40000110.1
95E29.8Very low28Very low168 Ų168156.3 Ų156.379%0.78581%0.81SS**  trans-129129178.1-75.6176.6-178.900111.1N93N93-E95 VanDerWaalsContact C-N 3.31Å; N93-E95 PolarHBondContact O-N 3.26Å; N93-E95 VanDerWaalsContact O-N 3.16Å
96D28.9Very low28.1Very low152 Ų152153.1 Ų153.181%0.81380%0.799SS**  trans60.970.5165.1-60.9-14.4000119.9N98D96-N98 VanDerWaalsContact C-N 3.26Å; D96-N98 PolarHBondContact O-N 2.94Å
97Y25.8Very low28Very low237 Ų237153 Ų15393%0.92980%0.797SS**  trans-49.782.4142.8-115.4-97.2000111.8
98N28Very low28.3Very low154 Ų154154.5 Ų154.582%0.82480%0.796SS**  trans-161.917.4165.9-101.8-31.6000116.8D96D96-N98 VanDerWaalsContact C-N 3.26Å; D96-N98 PolarHBondContact O-N 2.94Å
99H29Very low28.3Very low188 Ų188153.7 Ų153.787%0.8779%0.793SS**  trans-134.543.8-179-130.959.4000116
100I29.2Very low28.2Very low160 Ų160157 Ų15782%0.82180%0.797SS**  trans-130.469.2165.7-45.9179.2000110.3
101Q27.6Very low28.3Very low177 Ų177157.8 Ų157.883%0.82780%0.795SS**SBendtrans-130.5140.4156.8-74.4-162.9-8.900110.1
102N28.3Very low28.3Very low161 Ų161158.6 Ų158.686%0.86180%0.796SS**SBendtrans76.236.7167.4-53.4-27.8000119.2
103G25.3Very low28.6Very low68 Ų68157.1 Ų157.170%0.70180%0.795SS**  trans-87.6-34.7160.100000114.8K105G103-K105 PolarHBondContact O-N 3.36Å
104Y26.5Very low28.9Very low211 Ų211159 Ų15983%0.82780%0.796SS**  trans-88.854.6-167.7-64.1-77.2000114.9N106Y104-N106 PolarHBondContact O-N 3.1Å
105K28.1Very low29.2Very low175 Ų175158.6 Ų158.676%0.76179%0.794SS**  trans-87.985.9157.8-89.5-176.1177.4174.40109.4G103 Q107G103-K105 PolarHBondContact O-N 3.36Å; K105-Q107 VanDerWaalsContact C-N 3.26Å; K105-Q107 PolarHBondContact O-N 3.12Å
106N30.2Very low29.6Very low138 Ų138159.6 Ų159.674%0.73880%0.795SS**  trans-57.591.2163.5-76.8-27.4000109.1Y104 L108Y104-N106 PolarHBondContact O-N 3.1Å; N106-L108 PolarHBondContact O-N 3.26Å
107Q30.1Very low30Very low163 Ų163161.6 Ų161.676%0.76280%0.797SS**  trans-69.382.8164.5-72-171.6-1.300107.8K105 N109K105-Q107 VanDerWaalsContact C-N 3.26Å; K105-Q107 PolarHBondContact O-N 3.12Å; Q107-N109 PolarHBondContact O-N 2.82Å
108L31.4Very low30.5Very low130 Ų130160.3 Ų160.368%0.68180%0.796SS**  trans-6285.1161.2-82165.1000107.4N106 F110N106-L108 PolarHBondContact O-N 3.26Å; L108-F110 HydrophobicContact CB-CD2 4.24Å; L108-F110 HydrophobicContact CB-CE2 3.9Å; L108-F110 HydrophobicContact CB-CZ 4.49Å; L108-F110 WeakPolarHBondContact O-CD2 3.49Å; L108-F110 PolarHBondContact O-N 3.32Å
109N27.9Very low31Very low140 Ų140160.2 Ų160.275%0.74980%0.796SS**  trans-63.288166.6-91.3-34.8000107.4Q107 Q111Q107-N109 PolarHBondContact O-N 2.82Å; N109-Q111 PolarHBondContact O-N 3.02Å
110F27.8Very low31.2Very low176 Ų176153.6 Ų153.677%0.77278%0.779SS**  trans-64.381.1163.2-73.3-78.7000107.7L108 T112L108-F110 HydrophobicContact CB-CD2 4.24Å; L108-F110 HydrophobicContact CB-CE2 3.9Å; L108-F110 HydrophobicContact CB-CZ 4.49Å; L108-F110 WeakPolarHBondContact O-CD2 3.49Å; L108-F110 PolarHBondContact O-N 3.32Å; F110-T112 PolarHBondContact O-N 2.8Å
111Q28.1Very low31.7Very low175 Ų175152.1 Ų152.182%0.81878%0.777SS**  trans-66.192.2168.9-171.4164.748.500106.5N109 P113N109-Q111 PolarHBondContact O-N 3.02Å; Q111-P113 VanDerWaalsContact O-N 3.07Å
112T29.3Very low32.1Very low117 Ų117154.2 Ų154.272%0.71878%0.779SS**  trans-48.3119.1178.528.10000107.8F110 K114F110-T112 PolarHBondContact O-N 2.8Å; T112-K114 PolarHBondContact O-N 3.47Å
113P33.2Very low32.7Very low118 Ų118152 Ų15277%0.76677%0.766SS**  trans-62.6109.7-171.422.1-32000107.9Q111 T115Q111-P113 VanDerWaalsContact O-N 3.07Å; P113-T115 PolarHBondContact O-N 2.82Å
114K33.5Very low33.6Very low186 Ų186154.2 Ų154.281%0.80977%0.771SS**  trans-47117176.7-72.8180178.7175.30107T112 K116T112-K114 PolarHBondContact O-N 3.47Å; K114-K116 PolarHBondContact O-N 2.79Å
115T35Very low34.2Very low136 Ų136147 Ų14783%0.83475%0.749SS**  trans-54.5104.8-175.637.40000108.1P113 K117P113-T115 PolarHBondContact O-N 2.82Å; T115-K117 PolarHBondContact O-N 3.22Å
116K37.7Very low34.6Very low189 Ų189144.7 Ų144.782%0.82275%0.745SS**  trans-56.1115.7172.2-79.6-175.6176.7178.60105K114 F118K114-K116 PolarHBondContact O-N 2.79Å; K116-F118 PolarHBondContact O-N 3.09Å
117K37.4Very low35.1Very low195 Ų195150.1 Ų150.185%0.84876%0.755SS**  trans-50.9117.9170.5-72.4-178.6176.2179.40105.4T115 D119T115-K117 PolarHBondContact O-N 3.22Å; K117-D119 PolarHBondContact O-N 3.26Å
118F37.8Very low35.8Very low209 Ų209153.8 Ų153.892%0.91776%0.762SS**  trans-58.8115.3174.5-82.5-91.6000106.5K116 G120K116-F118 PolarHBondContact O-N 3.09Å; F118-G120 VanDerWaalsContact C-N 3.32Å; F118-G120 PolarHBondContact O-N 3.36Å
119D37.9Very low36.3Very low153 Ų153150.4 Ų150.482%0.81875%0.747SS**  trans-60.1102.4169.1-74.8-42.2000106.5K117 V121K117-D119 PolarHBondContact O-N 3.26Å; D119-V121 PolarHBondContact O-N 2.96Å
120G32.2Very low37.1Very low49 Ų49151 Ų15151%0.50575%0.745SS.*  trans-59.1114.5-176.500000108.6F118 Y122F118-G120 VanDerWaalsContact C-N 3.32Å; F118-G120 PolarHBondContact O-N 3.36Å; G120-Y122 WeakPolarHBondContact O-CD2 3.47Å; G120-Y122 PolarHBondContact O-N 3.26Å
121V39.8Very low38.2Very low129 Ų129148.2 Ų148.278%0.78274%0.744SS**  trans-70.985.1177.7-177.10000108.3D119 L123D119-V121 PolarHBondContact O-N 2.96Å; V121-L123 VanDerWaalsContact C-N 3.33Å; V121-L123 HydrophobicContact CG1-CD2 4.29Å; V121-L123 HydrophobicContact CG1-CG 4.4Å; V121-L123 PolarHBondContact O-N 2.92Å
122Y36.7Very low39.1Very low221 Ų221142.4 Ų142.487%0.86773%0.732SS**  trans-70.288.9176-77.2-80.2000109.7G120 S124G120-Y122 WeakPolarHBondContact O-CD2 3.47Å; G120-Y122 PolarHBondContact O-N 3.26Å; Y122-S124 PolarHBondContact O-N 3.35Å
123L40.4Very low39.9Very low113 Ų113141 Ų14159%0.59272%0.719SS**  trans-64.294.2169.4-67.5173.3000109.5V121 V125 I137V121-L123 VanDerWaalsContact C-N 3.33Å; V121-L123 HydrophobicContact CG1-CD2 4.29Å; V121-L123 HydrophobicContact CG1-CG 4.4Å; V121-L123 PolarHBondContact O-N 2.92Å; L123-V125 PolarHBondContact O-N 3.37Å; L123-I137 HydrophobicContact CD1-CG2 3.85Å
124S43.6Very low40.6Very low116 Ų116137.3 Ų137.381%0.81170%0.696SS**  trans-69.5101.1176.660.80000110.2Y122 N126Y122-S124 PolarHBondContact O-N 3.35Å; S124-N126 PolarHBondContact O-N 3.31Å; S124-N126 VanDerWaalsContact O-N 3.13Å
125V39.6Very low41.4Very low59 Ų59131.1 Ų131.136%0.35868%0.68SS.*  trans-73106176.2-175.20000109.2L123 R127 T129 I137L123-V125 PolarHBondContact O-N 3.37Å; V125-R127 PolarHBondContact O-N 3.3Å; V125-T129 WeakPolarHBondContact CG1-OG1 3.22Å; V125-I137 HydrophobicContact CG2-CD1 4.25Å
126N37.2Very low42.1Very low127 Ų127127.6 Ų127.668%0.67966%0.664SS**  trans-64.4119.5176.8-156.3-17.5000108.6S124 R128 T129S124-N126 PolarHBondContact O-N 3.31Å; S124-N126 VanDerWaalsContact O-N 3.13Å; N126-R128 PolarHBondContact O-N 3.23Å; N126-T129 PolarHBondContact O-N 3.35Å; N126-T129 PolarHBondContact O-OG1 3.43Å; N126-T129 VanDerWaalsContact O-OG1 3.11Å
127R39.6Very low42.6Very low251 Ų251121.1 Ų121.195%0.94764%0.638SS**THydrogen-bonded Turntrans-61.64.9-166.5-61.3-173.2-172.7-179.73.3116.1V125V125-R127 PolarHBondContact O-N 3.3Å
128R46.4Very low43.2Very low240 Ų240120.1 Ų120.191%0.90663%0.629SS**THydrogen-bonded Turntrans-98.4-8.6173-97.4179.4165.3170.3-4.1114.6N126N126-R128 PolarHBondContact O-N 3.23Å
129T41.6Very low43.9Very low59 Ų59115.3 Ų115.336%0.36261%0.612SS.*SBendtrans-67.5136.617548.20000111.2V125 N126 I133V125-T129 WeakPolarHBondContact CG1-OG1 3.22Å; N126-T129 PolarHBondContact O-N 3.35Å; N126-T129 PolarHBondContact O-OG1 3.43Å; N126-T129 VanDerWaalsContact O-OG1 3.11Å; T129-I133 HydrophobicContact CG2-CD1 4.47Å
130Q44Very low44.4Very low152 Ų152113.2 Ų113.271%0.7160%0.6SS**  trans-57.3149.6179.7-68.7177.7-15.300112.1G132 I133Q130-G132 PolarHBondContact O-N 3.16Å; Q130-I133 PolarHBondContact O-N 3.11Å; Q130-I133 VanDerWaalsContact O-N 3.12Å
131P50.6Low45.3Very low118 Ų118114.2 Ų114.277%0.76660%0.6SS**Hα-helixtrans-52-34.1-171.3-30.235.9000115.7I133 S134 A135P131-I133 PolarHBondContact O-N 3.21Å; P131-S134 PolarHBondContact O-N 3.11Å; P131-A135 PolarHBondContact O-N 2.99Å
132G47.2Very low45.7Very low54 Ų54114.2 Ų114.256%0.55759%0.591SS**Hα-helixtrans-61.5-36.7-179.200000114.5Q130 S134 A135 A136Q130-G132 PolarHBondContact O-N 3.16Å; G132-S134 VanDerWaalsContact C-N 3.35Å; G132-S134 PolarHBondContact O-N 3.27Å; G132-A135 PolarHBondContact O-N 3.03Å; G132-A136 PolarHBondContact O-N 3.35Å; G132-A136 VanDerWaalsContact O-N 3.16Å
133I45.8Very low45.9Very low86 Ų86109.8 Ų109.844%0.44158%0.582SS.*Hα-helixtrans-68-37.9-178.1-60.4173.1000110.5T129 Q130 P131 A135 A136 I137T129-I133 HydrophobicContact CG2-CD1 4.47Å; Q130-I133 PolarHBondContact O-N 3.11Å; Q130-I133 VanDerWaalsContact O-N 3.12Å; P131-I133 PolarHBondContact O-N 3.21Å; I133-A135 VanDerWaalsContact C-N 3.27Å; I133-A135 PolarHBondContact O-N 3.06Å; I133-A136 PolarHBondContact O-N 3.31Å; I133-I137 HydrophobicContact CG2-CD1 3.93Å; I133-I137 HydrophobicContact CG2-CG1 4.48Å; I133-I137 WeakPolarHBondContact O-CG1 3.29Å; I133-I137 PolarHBondContact O-N 3.45Å; I133-I137 VanDerWaalsContact O-N 3.08Å
134S49.6Very low45.9Very low41 Ų41110.7 Ų110.729%0.28759%0.587SS.*Hα-helixtrans-68.3-25.7177.7-170.70000113P131 G132 R138P131-S134 PolarHBondContact O-N 3.11Å; G132-S134 VanDerWaalsContact C-N 3.35Å; G132-S134 PolarHBondContact O-N 3.27Å; S134-R138 WeakPolarHBondContact O-CG 3.42Å; S134-R138 PolarHBondContact O-N 2.87Å
135A48.6Very low45.6Very low56 Ų56112.8 Ų112.846%0.46358%0.582SS.*Hα-helixtrans-74.4-45.1173.600000111.2P131 G132 I133 I137 R138 L139P131-A135 PolarHBondContact O-N 2.99Å; G132-A135 PolarHBondContact O-N 3.03Å; I133-A135 VanDerWaalsContact C-N 3.27Å; I133-A135 PolarHBondContact O-N 3.06Å; A135-I137 PolarHBondContact O-N 2.84Å; A135-R138 PolarHBondContact O-N 2.77Å; A135-L139 PolarHBondContact O-N 2.98Å
136A50.1Low45.5Very low62 Ų62115.2 Ų115.251%0.51260%0.599SS.*Hα-helixtrans-60.1-44177.500000112.6G132 I133 R138 L139 L140G132-A136 PolarHBondContact O-N 3.35Å; G132-A136 VanDerWaalsContact O-N 3.16Å; I133-A136 PolarHBondContact O-N 3.31Å; A136-R138 VanDerWaalsContact C-N 3.33Å; A136-R138 PolarHBondContact O-N 2.94Å; A136-L139 PolarHBondContact O-N 3.04Å; A136-L140 PolarHBondContact O-N 3.19Å
137I49.6Very low45.5Very low53 Ų53119.2 Ų119.227%0.27261%0.61SS.*Hα-helixtrans-63.6-38.8176.8-65.7169.5000111.2L123 V125 I133 A135 L140 S141L123-I137 HydrophobicContact CD1-CG2 3.85Å; V125-I137 HydrophobicContact CG2-CD1 4.25Å; I133-I137 HydrophobicContact CG2-CD1 3.93Å; I133-I137 HydrophobicContact CG2-CG1 4.48Å; I133-I137 WeakPolarHBondContact O-CG1 3.29Å; I133-I137 PolarHBondContact O-N 3.45Å; I133-I137 VanDerWaalsContact O-N 3.08Å; A135-I137 PolarHBondContact O-N 2.84Å; I137-L140 PolarHBondContact O-N 2.85Å; I137-S141 WeakPolarHBondContact O-CB 3.37Å; I137-S141 PolarHBondContact O-N 2.89Å; I137-S141 PolarHBondContact O-OG 3.02Å
138R48.1Very low45.2Very low174 Ų174113 Ų11366%0.65760%0.6SS**Hα-helixtrans-62.3-45.8174.4-82.1-178.6174.9178.3-1111.7S134 A135 A136 L140 S141 Q142S134-R138 WeakPolarHBondContact O-CG 3.42Å; S134-R138 PolarHBondContact O-N 2.87Å; A135-R138 PolarHBondContact O-N 2.77Å; A136-R138 VanDerWaalsContact C-N 3.33Å; A136-R138 PolarHBondContact O-N 2.94Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.18Å; R138-S141 PolarHBondContact O-N 3.2Å; R138-S141 PolarHBondContact O-OG 2.85Å; R138-Q142 WeakPolarHBondContact O-CG 3.38Å; R138-Q142 PolarHBondContact O-N 2.93Å; R138-Q142 VanDerWaalsContact O-N 3.1Å
139L52.9Low44.3Very low108 Ų108105.6 Ų105.657%0.56559%0.585SS**Hα-helixtrans-57.3-47.3174.6-120.981.4000111.5A135 A136 S141 Q142 N143A135-L139 PolarHBondContact O-N 2.98Å; A136-L139 PolarHBondContact O-N 3.04Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 2.85Å; L139-Q142 PolarHBondContact O-N 3.24Å; L139-Q142 VanDerWaalsContact O-N 3.13Å; L139-N143 PolarHBondContact O-N 3.32Å
140L49.4Very low44.1Very low109 Ų109108 Ų10857%0.57160%0.602SS**Hα-helixtrans-60.9-42.6179.5-142.581.8000111.6A136 I137 R138 Q142 N143 L144A136-L140 PolarHBondContact O-N 3.19Å; I137-L140 PolarHBondContact O-N 2.85Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.18Å; L140-Q142 VanDerWaalsContact C-N 3.27Å; L140-Q142 PolarHBondContact O-N 3.13Å; L140-N143 PolarHBondContact O-N 3.44Å; L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.27Å; L140-L144 PolarHBondContact O-N 3.3Å
141S50.7Low43.4Very low70 Ų70107.2 Ų107.249%0.4960%0.603SS.*Hα-helixtrans-67.1-24177.571.10000114.1I137 R138 L139I137-S141 WeakPolarHBondContact O-CB 3.37Å; I137-S141 PolarHBondContact O-N 2.89Å; I137-S141 PolarHBondContact O-OG 3.02Å; R138-S141 PolarHBondContact O-N 3.2Å; R138-S141 PolarHBondContact O-OG 2.85Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 2.85Å
142Q48.3Very low42.3Very low129 Ų129108.5 Ų108.560%0.60360%0.603SS**Hα-helixtrans-77.2-40.3172.2-71.9177.6-12.300111.2R138 L139 L140 L144 K145R138-Q142 WeakPolarHBondContact O-CG 3.38Å; R138-Q142 PolarHBondContact O-N 2.93Å; R138-Q142 VanDerWaalsContact O-N 3.1Å; L139-Q142 PolarHBondContact O-N 3.24Å; L139-Q142 VanDerWaalsContact O-N 3.13Å; L140-Q142 VanDerWaalsContact C-N 3.27Å; L140-Q142 PolarHBondContact O-N 3.13Å; Q142-L144 VanDerWaalsContact C-N 3.32Å; Q142-L144 PolarHBondContact O-N 2.92Å; Q142-K145 PolarHBondContact O-N 3.3Å
143N41.3Very low41.6Very low128 Ų128114.3 Ų114.368%0.68462%0.616SS**Hα-helixtrans-72.8-21.6178.3-67.9-14000113.6L139 L140 K145L139-N143 PolarHBondContact O-N 3.32Å; L140-N143 PolarHBondContact O-N 3.44Å; N143-K145 VanDerWaalsContact C-N 3.29Å
144L40.4Very low41Very low132 Ų132115.5 Ų115.569%0.69163%0.627SS**THydrogen-bonded Turntrans-83.12.8174.7-73.9170.4000114.1L140 Q142 P146L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.27Å; L140-L144 PolarHBondContact O-N 3.3Å; Q142-L144 VanDerWaalsContact C-N 3.32Å; Q142-L144 PolarHBondContact O-N 2.92Å; L144-P146 WeakPolarHBondContact O-CD 3.38Å
145K35.8Very low40Very low160 Ų160120.1 Ų120.170%0.69665%0.648SS**SBendtrans-64.1126.4164-75.8-171.8173.7-173.90108.5Q142 N143 K147Q142-K145 PolarHBondContact O-N 3.3Å; N143-K145 VanDerWaalsContact C-N 3.29Å; K145-K147 PolarHBondContact O-N 2.85Å
146P38.5Very low39.1Very low110 Ų110124.2 Ų124.271%0.71466%0.662SS**  trans-53.5128.8172-2433.5000109.4L144 T148L144-P146 WeakPolarHBondContact O-CD 3.38Å; P146-T148 PolarHBondContact O-N 3.11Å
147K36.4Very low38.1Very low211 Ų211128.2 Ų128.292%0.91768%0.675SS**  trans-66.386.4163.4-82.1-174.9175.2179.70107.3K145 S149K145-K147 PolarHBondContact O-N 2.85Å; K147-S149 PolarHBondContact O-N 3.35Å
148T33.8Very low37.2Very low121 Ų121131 Ų13174%0.74270%0.699SS**  trans-65.887.8161.348.50000107P146 P150P146-T148 PolarHBondContact O-N 3.11Å; T148-P150 VanDerWaalsContact O-CD 3.26Å; T148-P150 WeakPolarHBondContact O-CD 3.12Å
149S28.7Very low36.3Very low84 Ų84129.2 Ų129.259%0.58770%0.703SS**  trans-57.8118.5164.3-179.30000107.3K147 N151K147-S149 PolarHBondContact O-N 3.35Å; S149-N151 PolarHBondContact O-N 2.83Å
150P35.6Very low35Very low110 Ų110127.2 Ų127.271%0.71471%0.708SS**THydrogen-bonded Turntrans-72.7-4.2-177.6-18.333.4000113.9T148T148-P150 VanDerWaalsContact O-CD 3.26Å; T148-P150 WeakPolarHBondContact O-CD 3.12Å
151N30.5Very low33.9Very low136 Ų136128.6 Ų128.673%0.72772%0.716SS**THydrogen-bonded Turntrans-97.311.6-162.9-6719.4000114.9S149S149-N151 PolarHBondContact O-N 2.83Å
152N28.1Very low32.8Very low144 Ų144130 Ų13077%0.7773%0.726SS**  trans-108.457.2161.4-78.436.9000109.3V154N152-V154 VanDerWaalsContact C-N 3.28Å; N152-V154 PolarHBondContact O-N 3.36Å; N152-V154 VanDerWaalsContact O-N 3.12Å
153E30.8Very low31.8Very low176 Ų176128.8 Ų128.882%0.82273%0.727SS**  trans-61.1107.9140.8-100.1178.6169.500105.4N155E153-N155 PolarHBondContact O-N 2.77Å; E153-N155 VanDerWaalsContact O-N 3.16Å
154V33.6Very low31.1Very low112 Ų112127.9 Ų127.968%0.67973%0.726SS**  trans-58.4118.8169.4174.80000105.2N152 D156N152-V154 VanDerWaalsContact C-N 3.28Å; N152-V154 PolarHBondContact O-N 3.36Å; N152-V154 VanDerWaalsContact O-N 3.12Å; V154-D156 VanDerWaalsContact C-N 3.25Å; V154-D156 PolarHBondContact O-N 2.81Å
155N28.5Very low30.4Very low137 Ų137126.9 Ų126.973%0.73373%0.729SS**  trans-60.5101.3161.7-79.6-12000105.9E153 D157E153-N155 PolarHBondContact O-N 2.77Å; E153-N155 VanDerWaalsContact O-N 3.16Å; N155-D157 PolarHBondContact O-N 2.77Å
156D29.6Very low30Very low142 Ų142127.2 Ų127.276%0.75973%0.733SS**  trans-63.786158-86.4-31.3000106.1V154 S158V154-D156 VanDerWaalsContact C-N 3.25Å; V154-D156 PolarHBondContact O-N 2.81Å; D156-S158 PolarHBondContact O-N 3.39Å; D156-S158 PolarHBondContact O-OG 3.4Å
157D30.2Very low29.4Very low147 Ų147129.1 Ų129.179%0.78674%0.736SS**  trans-62.382.6159.3-81.1-25.8000106.5N155 N159N155-D157 PolarHBondContact O-N 2.77Å; D157-N159 PolarHBondContact O-N 2.97Å
158S29.9Very low28.9Very low110 Ų110124.8 Ų124.877%0.76973%0.727SS**  trans-71.859.718045.80000110.2D156 G160D156-S158 PolarHBondContact O-N 3.39Å; D156-S158 PolarHBondContact O-OG 3.4Å; S158-G160 PolarHBondContact O-N 2.74Å
159N29.3Very low28.6Very low138 Ų138124.5 Ų124.574%0.73873%0.725SS**  trans-68.883.6161.4-169.59.5000107.7D157 N161D157-N159 PolarHBondContact O-N 2.97Å; N159-N161 PolarHBondContact O-N 2.81Å
160G26.5Very low28.4Very low66 Ų66125.3 Ų125.368%0.6873%0.731SS**  trans-7070.7-171.300000113.2S158 S162S158-G160 PolarHBondContact O-N 2.74Å; G160-S162 PolarHBondContact O-N 2.91Å
161N25.8Very low27.9Very low138 Ų138126.8 Ų126.874%0.73873%0.733SS**  trans-70.478.8161.9-93.1-8.2000109.4N159 V163N159-N161 PolarHBondContact O-N 2.81Å; N161-V163 VanDerWaalsContact C-N 3.27Å; N161-V163 PolarHBondContact O-N 3.07Å
162S26.7Very low27.7Very low99 Ų99127.5 Ų127.569%0.69274%0.735SS**  trans-61.988.7163.8167.50000109G160 T164G160-S162 PolarHBondContact O-N 2.91Å; S162-T164 PolarHBondContact O-N 2.92Å
163V26.9Very low27.5Very low104 Ų104127.9 Ų127.963%0.6374%0.737SS**  trans-71.885.5169.9-176.40000108.4N161 C165N161-V163 VanDerWaalsContact C-N 3.27Å; N161-V163 PolarHBondContact O-N 3.07Å; V163-C165 PolarHBondContact O-N 3.08Å; V163-C165 VanDerWaalsContact O-N 3.13Å
164T28.1Very low27.3Very low108 Ų108125.5 Ų125.566%0.66374%0.735SS**  trans-57.3113.3163.940.20000108.5S162 E166S162-T164 PolarHBondContact O-N 2.92Å; T164-E166 PolarHBondContact O-N 2.91Å
165C25.1Very low26.9Very low112 Ų112127.7 Ų127.776%0.75774%0.742SS**  trans-7692170.1-64.70000107.9V163 I167V163-C165 PolarHBondContact O-N 3.08Å; V163-C165 VanDerWaalsContact O-N 3.13Å; C165-I167 PolarHBondContact O-N 2.85Å; C165-I167 VanDerWaalsContact O-N 3.11Å
166E27.4Very low26.8Very low166 Ų166130.3 Ų130.378%0.77675%0.75SS**  trans-62.4111.7166-74.7-170.8141.900108.7T164 V168T164-E166 PolarHBondContact O-N 2.91Å; E166-V168 VanDerWaalsContact C-N 3.28Å; E166-V168 HydrophobicContact CB-CG2 4.41Å; E166-V168 PolarHBondContact O-N 3.37Å
167I25.8Very low26.5Very low151 Ų151130.6 Ų130.677%0.77475%0.752SS**  trans-76.189.9169.4-59.6174.7000106.1C165 T169C165-I167 PolarHBondContact O-N 2.85Å; C165-I167 VanDerWaalsContact O-N 3.11Å; I167-T169 VanDerWaalsContact C-N 3.3Å; I167-T169 PolarHBondContact O-N 3.23Å
168V26.9Very low26.4Very low120 Ų120130.8 Ų130.873%0.72775%0.753SS**  trans-70.989.4174.1-177.70000108.4E166 S170E166-V168 VanDerWaalsContact C-N 3.28Å; E166-V168 HydrophobicContact CB-CG2 4.41Å; E166-V168 PolarHBondContact O-N 3.37Å; V168-S170 PolarHBondContact O-N 3Å; V168-S170 VanDerWaalsContact O-N 3.08Å
169T26.2Very low26.2Very low114 Ų114133.9 Ų133.970%0.69976%0.755SS**  trans-66.7102.3164370000108.9I167 N171I167-T169 VanDerWaalsContact C-N 3.3Å; I167-T169 PolarHBondContact O-N 3.23Å; T169-N171 PolarHBondContact O-N 2.83Å
170S24Very low26.2Very low101 Ų101135.1 Ų135.171%0.70676%0.761SS**  trans-68.989.3173.456.20000110.6V168 I172V168-S170 PolarHBondContact O-N 3Å; V168-S170 VanDerWaalsContact O-N 3.08Å; S170-I172 PolarHBondContact O-N 2.96Å
171N25.6Very low26.1Very low142 Ų142141 Ų14176%0.75977%0.768SS**  trans-67.6118.1165-91-6.5000108.9T169 N173T169-N171 PolarHBondContact O-N 2.83Å; N171-N173 PolarHBondContact O-N 2.98Å
172I25.8Very low26Very low150 Ų150141.8 Ų141.877%0.76977%0.771SS**  trans-73.2106.4177.4-62.1171.3000107.5S170 T174S170-I172 PolarHBondContact O-N 2.96Å; I172-T174 PolarHBondContact O-N 3.36Å
173N25.2Very low26Very low152 Ų152142.8 Ų142.881%0.81377%0.773SS**  trans-74.192.5175.6-72.7-24.3000110.1N171N171-N173 PolarHBondContact O-N 2.98Å
174T26.3Very low25.9Very low127 Ų127144.4 Ų144.478%0.77978%0.783SS**  trans-77.6122.7161.542.90000110.2I172 E176I172-T174 PolarHBondContact O-N 3.36Å; T174-E176 PolarHBondContact O-N 3.04Å
175N24.1Very low25.7Very low157 Ų157146.3 Ų146.384%0.8479%0.789SS**  trans-59.2121.5175.4-72.6-37.3000111.8
176E28Very low25.8Very low193 Ų193147.8 Ų147.890%0.90279%0.79SS**  trans-128.5106.9149.9-75-162.5146.800110T174T174-E176 PolarHBondContact O-N 3.04Å
177N22.6Very low25.8Very low147 Ų147148.1 Ų148.179%0.78679%0.789SS**  trans-66.5133.6160.5-74-46.2000108.2
178N28.3Very low25.7Very low151 Ų151148.6 Ų148.681%0.80779%0.793SS**  -173.5139.6116.7-94.5-42.4000113.3
179H25.1Very low25.7Very low175 Ų175147.9 Ų147.981%0.8179%0.785SS**  trans-40.1131.1176.9-56.7-87.5000115.3
180N29Very low25.7Very low164 Ų164152 Ų15288%0.87779%0.793SS**  trans-144.3132.4143.2-111.8-36.2000114.2
181K26.1Very low25.7Very low190 Ų190154.9 Ų154.983%0.82680%0.8SS**  trans-23.2126.2179.7-86.5167.1167.3173.10119.3
182I23.9Very low25.6Very low155 Ų155153 Ų15380%0.79580%0.797SS**  trans-20.9128.5135.3-59.4156.4000113.4
183T24.9Very low25.5Very low120 Ų120153.6 Ų153.674%0.73680%0.8SS**  -174.6159.2123.423.90000112.4
184T26.4Very low25.5Very low137 Ų137152.5 Ų152.584%0.8480%0.8SS**  trans64.4102170.548.30000118
185N23.7Very low25.4Very low148 Ų148149.9 Ų149.979%0.79179%0.786SS**  trans-62.5-179.4159.3-72.7-19.5000112.2
186D25.7Very low25.4Very low144 Ų144148.9 Ų148.977%0.7779%0.788SS**  trans7549.1163.5-51.3-23.6000115.9N188D186-N188 PolarHBondContact O-N 2.88Å
187K27.5Very low25.3Very low173 Ų173147.5 Ų147.575%0.75278%0.782SS**  trans-6189.9148-88.2-174.6171.1-126.20110.3D189K187-D189 HydrophobicContact CB-CB 4.17Å; K187-D189 HydrophobicContact CD-CB 4.41Å; K187-D189 VanDerWaalsContact CD-OD2 3.25Å; K187-D189 WeakPolarHBondContact CD-OD2 3.46Å; K187-D189 VanDerWaalsContact CE-OD2 3.26Å; K187-D189 WeakPolarHBondContact CE-OD2 3.23Å; K187-D189 HydrophobicContact CG-CB 4.42Å; K187-D189 IonicContact NZ-OD2 2.66Å; K187-D189 PolarHBondContact NZ-OD2 2.87Å; K187-D189 PolarHBondContact O-N 2.73Å
188N24.6Very low25.3Very low161 Ų161145.7 Ų145.786%0.86178%0.781SS**  trans-68.850.7147-82.6-46000110.2D186D186-N188 PolarHBondContact O-N 2.88Å
189D26.9Very low25.1Very low104 Ų104142.6 Ų142.656%0.55678%0.784SS**  trans-83.9117.4171.9-93.1-20.7000109.2K187 L191K187-D189 HydrophobicContact CB-CB 4.17Å; K187-D189 HydrophobicContact CD-CB 4.41Å; K187-D189 VanDerWaalsContact CD-OD2 3.25Å; K187-D189 WeakPolarHBondContact CD-OD2 3.46Å; K187-D189 VanDerWaalsContact CE-OD2 3.26Å; K187-D189 WeakPolarHBondContact CE-OD2 3.23Å; K187-D189 HydrophobicContact CG-CB 4.42Å; K187-D189 IonicContact NZ-OD2 2.66Å; K187-D189 PolarHBondContact NZ-OD2 2.87Å; K187-D189 PolarHBondContact O-N 2.73Å; D189-L191 PolarHBondContact O-N 2.95Å
190K25.3Very low25.1Very low201 Ų201137.6 Ų137.687%0.87478%0.78SS**  trans-37.193.7171-64.2165176.2172.70113.5
191L24.8Very low25Very low162 Ų162135.5 Ų135.585%0.84877%0.773SS**  trans-121.374.2149.3-93.3160.9000107.8D189 I193D189-L191 PolarHBondContact O-N 2.95Å; L191-I193 PolarHBondContact O-N 2.8Å
192S23.8Very low24.9Very low102 Ų102133.5 Ų133.571%0.71377%0.767SS**  trans-58.4109.6166.848.60000108.6T194S192-T194 VanDerWaalsContact C-N 3.33Å; S192-T194 PolarHBondContact O-N 3.11Å
193I24.1Very low25Very low162 Ų162136.6 Ų136.683%0.83177%0.77SS**  trans-66.390.6176.1-58.6160.3000108.1L191L191-I193 PolarHBondContact O-N 2.8Å
194T23.5Very low25.2Very low130 Ų130138.8 Ų138.880%0.79877%0.77SS**  trans-94.29815240.20000107.6S192S192-T194 VanDerWaalsContact C-N 3.33Å; S192-T194 PolarHBondContact O-N 3.11Å
195S24.2Very low25.1Very low71 Ų71136.8 Ų136.850%0.49776%0.761SS.*  trans-48.1146.7171.841.50000111.6Q197S195-Q197 PolarHBondContact O-N 2.77Å
196P24.3Very low25.1Very low136 Ų136141.7 Ų141.788%0.88377%0.769SS**  trans-74.667.2171.832.7-35.1000110.2S198P196-S198 VanDerWaalsContact C-N 3.35Å; P196-S198 PolarHBondContact O-N 3.18Å
197Q25.9Very low25.3Very low165 Ų165143.6 Ų143.677%0.77177%0.77SS**  trans-7394.5165-95-175.9-1900109.4S195S195-Q197 PolarHBondContact O-N 2.77Å
198S24.2Very low25.3Very low108 Ų108142.4 Ų142.476%0.75577%0.772SS**  trans14.6130.9131.659.50000117.9P196P196-S198 VanDerWaalsContact C-N 3.35Å; P196-S198 PolarHBondContact O-N 3.18Å
199G23.5Very low25.5Very low86 Ų86143.8 Ų143.889%0.88777%0.77SS**  trans104.643.6154.200000116.4
200G25.2Very low25.5Very low70 Ų70149.7 Ų149.772%0.72279%0.785SS**  trans-131.326.8173.800000113.9E202G200-E202 PolarHBondContact O-N 2.78Å
201V25.8Very low25.5Very low120 Ų120147.3 Ų147.373%0.72778%0.776SS**  trans-72.885.6172.5-178.50000108Y203V201-Y203 WeakPolarHBondContact O-CD2 3.29Å; V201-Y203 PolarHBondContact O-N 3.03Å
202E25.3Very low25.5Very low148 Ų148144.3 Ų144.369%0.69277%0.769SS**  trans-59.6111.1160.9-73.3-165.214200107.8G200 F204G200-E202 PolarHBondContact O-N 2.78Å; E202-F204 HydrophobicContact CB-CD2 4.09Å; E202-F204 HydrophobicContact CB-CE2 3.98Å; E202-F204 PolarHBondContact O-N 2.84Å; E202-F204 VanDerWaalsContact OE2-CE2 3.23Å; E202-F204 WeakPolarHBondContact OE2-CE2 3.38Å
203Y26Very low25.5Very low221 Ų221149.9 Ų149.987%0.86778%0.776SS**  trans-65.877.5170.3-79.7-97.7000109.4V201 S205V201-Y203 WeakPolarHBondContact O-CD2 3.29Å; V201-Y203 PolarHBondContact O-N 3.03Å; Y203-S205 PolarHBondContact O-N 2.88Å
204F28Very low25.7Very low166 Ų166148.1 Ų148.173%0.72877%0.773SS**  trans-67.390160.1-81.3-69.9000108.4E202 W206E202-F204 HydrophobicContact CB-CD2 4.09Å; E202-F204 HydrophobicContact CB-CE2 3.98Å; E202-F204 PolarHBondContact O-N 2.84Å; E202-F204 VanDerWaalsContact OE2-CE2 3.23Å; E202-F204 WeakPolarHBondContact OE2-CE2 3.38Å; F204-W206 PolarHBondContact O-N 3.06Å
205S25.7Very low25.9Very low94 Ų94147.6 Ų147.666%0.65777%0.772SS**  trans-33.3113170.9-179.10000110.5Y203 K207Y203-S205 PolarHBondContact O-N 2.88Å; S205-K207 PolarHBondContact O-N 3.15Å
206W23.5Very low26Very low252 Ų252150.9 Ų150.996%0.95579%0.789SS**  trans-63.179.7166.6-83.76.3000109.2F204 N208F204-W206 PolarHBondContact O-N 3.06Å; W206-N208 PolarHBondContact O-N 3.47Å; W206-N208 VanDerWaalsContact O-N 3.09Å
207K29.7Very low26.2Very low183 Ų183152.8 Ų152.880%0.79679%0.791SS**  trans-62.1114165.7-78.5-173.5176.8176.50107.4S205 K209S205-K207 PolarHBondContact O-N 3.15Å; K207-K209 PolarHBondContact O-N 2.89Å
208N26.7Very low26.1Very low148 Ų148153 Ų15379%0.79180%0.797SS**  trans-32.6121178.1-81.1-64.1000113W206 R210W206-N208 PolarHBondContact O-N 3.47Å; W206-N208 VanDerWaalsContact O-N 3.09Å; N208-R210 PolarHBondContact O-N 3.05Å
209K28.4Very low26.2Very low191 Ų191152.7 Ų152.783%0.8379%0.794SS**  trans-63.575.7169-72.1-177.2176.41790110.8K207 H211K207-K209 PolarHBondContact O-N 2.89Å; K209-H211 PolarHBondContact O-N 3.14Å; K209-H211 PolarHBondContact O-ND1 3.24Å; K209-H211 VanDerWaalsContact O-ND1 3.14Å
210R27Very low26.3Very low228 Ų228155.5 Ų155.586%0.8679%0.789SS**  trans-70.4113.3161-75.7-170.2174.4-175.6-0.7107.6N208 S212N208-R210 PolarHBondContact O-N 3.05Å; R210-S212 VanDerWaalsContact C-N 3.33Å; R210-S212 PolarHBondContact O-N 3.3Å
211H25.4Very low26.2Very low150 Ų150161.8 Ų161.869%0.69479%0.792SS**  trans-7189.7176.4-66.720.1000109.1K209 Y213K209-H211 PolarHBondContact O-N 3.14Å; K209-H211 PolarHBondContact O-ND1 3.24Å; K209-H211 VanDerWaalsContact O-ND1 3.14Å; H211-Y213 PolarHBondContact O-N 2.89Å
212S25.9Very low26.4Very low99 Ų99164.1 Ų164.169%0.69280%0.801SS**  trans-81.8100.3162.948.60000108.4R210 T214R210-S212 VanDerWaalsContact C-N 3.33Å; R210-S212 PolarHBondContact O-N 3.3Å; S212-T214 PolarHBondContact O-N 3.01Å; S212-T214 VanDerWaalsContact O-N 3.14Å
213Y24Very low26.2Very low220 Ų220167.9 Ų167.986%0.86381%0.81SS**  trans-63.4106.9164.5-81.4-99000108.8H211H211-Y213 PolarHBondContact O-N 2.89Å
214T28.5Very low26.3Very low124 Ų124160.6 Ų160.676%0.76180%0.802SS**  trans-102.7125.1159.619.10000108.4S212S212-T214 PolarHBondContact O-N 3.01Å; S212-T214 VanDerWaalsContact O-N 3.14Å
215P27.1Very low26Very low120 Ų120159.5 Ų159.578%0.77980%0.804SS**  trans-60.4141.9179-23.233.6000111.9L217P215-L217 PolarHBondContact O-N 2.82Å; P215-L217 VanDerWaalsContact O-N 3.1Å
216T25.9Very low26.1Very low140 Ų140162 Ų16286%0.85981%0.81SS**  trans-57.1108.1172.941.70000111.8
217L29Very low26.2Very low175 Ų175158.2 Ų158.292%0.91681%0.807SS**  trans-102.5102.6153.2-91.5162.1000107.8P215P215-L217 PolarHBondContact O-N 2.82Å; P215-L217 VanDerWaalsContact O-N 3.1Å
218L23Very low26.2Very low171 Ų171152.6 Ų152.690%0.89580%0.801SS**  trans-84.4109.5-175.9-179.685.9000110
219S25.7Very low26.1Very low100 Ų100152.8 Ų152.870%0.69980%0.802SS**  trans-168.3140.7156.756.70000113.8
220N26.5Very low25.8Very low145 Ų145148.9 Ų148.978%0.77580%0.798SS**  trans71.878.7156.4-60.1-1.7000118.6
221Y23.4Very low25.7Very low203 Ų203148.2 Ų148.280%0.79680%0.797SS**  -2.1131122.4-67.1-92.8000116.8
222N29.2Very low25.7Very low169 Ų169147.9 Ų147.990%0.90480%0.799SS**  trans-150.8107.5139.5-96.1-33.7000109.1
223Y22.2Very low25.6Very low226 Ų226151 Ų15189%0.88681%0.808SS**  trans-86.4142.4168.1-98.3-99.8000109.2
224G27.3Very low25.8Very low68 Ų68146.5 Ų146.570%0.70180%0.803SS**  trans15480.2-178.300000110
225N22.2Very low25.5Very low143 Ų143146.2 Ų146.277%0.76581%0.807SS**  60.796.162.6-155.239.2000112.3
226N27.2Very low25.5Very low147 Ų147146.5 Ų146.579%0.78681%0.806SS**  -177.4137.7116.8-88.2-26.1000112.5
227I26Very low25.3Very low173 Ų173144.8 Ų144.889%0.88780%0.8SS**  trans-81.2140.9172.1-67.5158.7000108.2
228G28.9Very low25.3Very low65 Ų65142.7 Ų142.767%0.6779%0.794SS**  trans-142.1101-179.300000113.7
229N25Very low25.3Very low152 Ų152143.1 Ų143.181%0.81379%0.792SS**  trans39.2113144.4-58.9-11.9000118.9
230S22.7Very low25.1Very low108 Ų108143.9 Ų143.976%0.75579%0.792SS**  80.9118.171.1-174.40000113.9
231Y24.6Very low25.2Very low214 Ų214144.4 Ų144.484%0.83979%0.793SS**  trans-44.1146.9173-56.7-96.8000115.4
232I25.8Very low25.1Very low144 Ų144141.3 Ų141.374%0.73879%0.791SS**  -178.3140.2109.3-90.6155.4000109.6T234I232-T234 HydrophobicContact CG2-CG2 4.3Å
233N23.5Very low25Very low164 Ų164139.8 Ų139.888%0.87778%0.783SS**  trans-82.6121.6168.7-73.5-32.9000109.8
234T28Very low25.3Very low125 Ų125137.2 Ų137.277%0.76778%0.778SS**  trans-135114.9163.828.30000110.2I232I232-T234 HydrophobicContact CG2-CG2 4.3Å
235S23Very low25.4Very low119 Ų119140.4 Ų140.483%0.83278%0.779SS**  trans-86.7118.8177.7-47.60000110.6
236T25.6Very low25.7Very low125 Ų125140.7 Ų140.777%0.76779%0.787SS**  trans-158.2107.4161.910.10000113.8
237S22.9Very low25.8Very low105 Ų105139.4 Ų139.473%0.73478%0.78SS**  trans29.1101.2136.961.40000121.1
238V28.9Very low26Very low131 Ų131139.4 Ų139.479%0.79477%0.773SS**  trans-143.7104131.8-173.40000104.9
239Q22Very low25.8Very low180 Ų180144 Ų14484%0.84178%0.782SS**  57.3153.987.7-81.9-163.22.500116.4
240T23.2Very low26Very low115 Ų115140.5 Ų140.571%0.70677%0.774SS**  trans76.6108.417231.20000120.3
241I27.9Very low26.1Very low156 Ų156142.7 Ų142.780%0.878%0.777SS**  trans92.1107.3137.9-59.1161.6000117.7
242N21.7Very low26.1Very low139 Ų139137.5 Ų137.574%0.74377%0.772SS**  trans-66146.7164.4-44.4-44.4000110.9
243N26.7Very low26.2Very low137 Ų137134.3 Ų134.373%0.73377%0.768SS**  179.4145.3107.6-92.6-2.9000113.4
244E28.4Very low26.5Very low171 Ų171133 Ų13380%0.79977%0.768SS**  trans70.974.5151.3-67.1172.7172.100119.5
245D30Very low26.4Very low135 Ų135138.1 Ų138.172%0.72277%0.774SS**  61.781.6116.8-68.78.1000120.2N247D245-N247 VanDerWaalsContact C-N 3.31Å; D245-N247 PolarHBondContact O-N 2.83Å
246T27.3Very low26.6Very low149 Ų149142.3 Ų142.391%0.91478%0.777SS**  trans-56.788.214447.40000111.9K248T246-K248 PolarHBondContact O-N 2.78Å; T246-K248 VanDerWaalsContact O-N 3.08Å
247N30.4Very low26.4Very low121 Ų121144.9 Ų144.965%0.64778%0.782SS**  trans-79.193.7172.5-110.3-54.1000112.2D245D245-N247 VanDerWaalsContact C-N 3.31Å; D245-N247 PolarHBondContact O-N 2.83Å
248K28.7Very low26.6Very low172 Ų172145.8 Ų145.875%0.74878%0.783SS**  trans63.291.4149.4-60.9176.4-174.5172.80117.7T246 A250T246-K248 PolarHBondContact O-N 2.78Å; T246-K248 VanDerWaalsContact O-N 3.08Å; K248-A250 PolarHBondContact O-N 2.96Å
249L25.3Very low26.6Very low161 Ų161148.4 Ų148.484%0.84378%0.784SS**  trans-65.180.1149.1-144.894.3000109.8N251L249-N251 PolarHBondContact O-N 2.77Å
250A28.4Very low26.8Very low79 Ų79144.6 Ų144.665%0.65378%0.784SS**  trans-80.581.3-179.600000111.4K248 S252K248-A250 PolarHBondContact O-N 2.96Å; A250-S252 VanDerWaalsContact C-N 3.33Å; A250-S252 PolarHBondContact O-N 3.29Å
251N25Very low27.2Very low155 Ų155146.8 Ų146.883%0.82979%0.791SS**  trans-69.287.1165.9-83.5-28.5000110.1L249L249-N251 PolarHBondContact O-N 2.77Å
252S26.4Very low27.1Very low104 Ų104143.9 Ų143.973%0.72778%0.784SS**  trans-136132.6166.158.10000112.3A250A250-S252 VanDerWaalsContact C-N 3.33Å; A250-S252 PolarHBondContact O-N 3.29Å
253A26.8Very low27.2Very low78 Ų78146.3 Ų146.365%0.64579%0.789SS**  trans-61.2139.1-161.300000115.8W255A253-W255 VanDerWaalsContact C-N 3.26Å; A253-W255 PolarHBondContact O-N 2.8Å
254P30.4Very low27.4Very low137 Ų137146.6 Ų146.689%0.8980%0.795SS**  trans-76.477.7160.932.8-32.9000110.4
255W24.8Very low27.3Very low232 Ų232145.1 Ų145.188%0.87979%0.792SS**  trans-91.498.4156.5-92.259.3000109A253A253-W255 VanDerWaalsContact C-N 3.26Å; A253-W255 PolarHBondContact O-N 2.8Å
256K27.9Very low27.3Very low206 Ų206147.4 Ų147.490%0.89680%0.801SS**  trans-174.9123142.9-102.5155.3-170.4-178.80111.7
257M22Very low27.2Very low179 Ų179148.5 Ų148.588%0.88279%0.793SS**  trans-65.4139.4162.2-59.2148.158.600109.5
258T27.1Very low27.3Very low124 Ų124148.5 Ų148.576%0.76180%0.8SS**  trans-165.8132130.416.70000113.3
259K28.8Very low27.2Very low187 Ų187146 Ų14681%0.81380%0.803SS**  trans64.2127.2149.6-64-178.3179.9-176.80119.6
260A25.6Very low27.2Very low100 Ų100145 Ų14583%0.82680%0.798SS**PPolyproline II helixtrans-79.3132.1157.600000108.9
261D31.7Very low27.1Very low160 Ų160149 Ų14986%0.85680%0.803SS**PPolyproline II helixtrans-98.3134.7163.1-78.5-36.6000110.2
262S24.9Very low27.1Very low95 Ų95147.3 Ų147.366%0.66479%0.794SS**PPolyproline II helixtrans-94.7145.2-168.549.70000113.3
263F25.2Very low27.3Very low190 Ų190149.5 Ų149.583%0.83380%0.798SS**  trans50115152.7-63-64.6000120.2
264T30.7Very low27.2Very low143 Ų143149 Ų14988%0.87780%0.801SS**  trans-128.710113740.40000110.8
265L26.3Very low27.2Very low140 Ų140149.4 Ų149.473%0.73380%0.795SS**  trans-91104.4171.5175.976.3000108.8
266M30.2Very low27.5Very low183 Ų183145.9 Ų145.990%0.90179%0.793SS**  trans-94.3116170.9-65.9-170.887.300111.1
267K23.7Very low27.4Very low173 Ų173144.2 Ų144.275%0.75279%0.789SS**  trans-97.5-172.8161.9-60.8179.4174.9178.20108.7
268P32.4Very low27.8Very low121 Ų121143.5 Ų143.579%0.78679%0.787SS**  -124.1167.5-74.337.9-23.2000112.5
269S27.8Very low27.6Very low118 Ų118147 Ų14783%0.82579%0.787SS**  trans-148.5124.9166.4178.80000107.6
270L24Very low27.7Very low141 Ų141146 Ų14674%0.73879%0.79SS**  cis87.367.424.7-145.7172.9000114.5
271H26.9Very low27.5Very low163 Ų163147.1 Ų147.176%0.75579%0.787SS**  trans-158.9128.4146.5-117.964.5000115.9
272N24.7Very low27.3Very low119 Ų119146.9 Ų146.964%0.63679%0.786SS**  trans13.5126.2146.5-55.4-14.7000121
273N31.1Very low27.2Very low151 Ų151146.5 Ų146.581%0.80778%0.783SS**  -163.2106.399.6-98.9-6000110.5
274G24.2Very low27.2Very low68 Ų68144.8 Ų144.870%0.70178%0.783SS**  trans-107.8117.5159.700000107.5
275N31.3Very low27Very low145 Ų145143.5 Ų143.578%0.77578%0.78SS**  trans-115.594.6169.7-76.99.3000107.9
276D31.2Very low26.8Very low157 Ų157140.1 Ų140.184%0.8478%0.779SS**  trans22.7136142.1-55.3-25.9000121.6
277E25.8Very low26.6Very low172 Ų172140.1 Ų140.180%0.80477%0.774SS**  trans-45.7154.9162.1-51.2171.9158.700114.2
278I29.9Very low26.6Very low164 Ų164137.8 Ų137.884%0.84177%0.774SS**  -175.5141.9121.4-92.2152.1000109.8
279Y22.9Very low26.3Very low196 Ų196137.8 Ų137.877%0.76977%0.772SS**  trans-73.4144.8-179.8-72.1-109.4000112.3
280L30.6Very low26.3Very low166 Ų166140.3 Ų140.387%0.86978%0.776SS**  trans-144.994.4150.1-135.987.4000111.1
281T22.9Very low26.3Very low125 Ų125141.7 Ų141.777%0.76778%0.777SS**  trans-80.9121.1163.847.80000108.9
282N26.3Very low26.5Very low154 Ų154141.7 Ų141.782%0.82478%0.782SS**  trans-144.2158.1162.7-146.4-8.6000111.9
283S23.5Very low26.8Very low88 Ų88142.1 Ų142.162%0.61579%0.785SS**  trans-127.1150.4-151.8-47.90000114.4
284N24.3Very low26.8Very low154 Ų154142.9 Ų142.982%0.82479%0.789SS**  trans76.1154.7150.1-59.8-25.4000121.2
285S26.4Very low27Very low116 Ų116147.6 Ų147.681%0.81179%0.79SS**  trans71.3136.8173.976.10000116.9
286G23Very low27.1Very low69 Ų69147.2 Ų147.271%0.71179%0.788SS**  cis117.361.2-11.500000116.1
287F26.5Very low27Very low183 Ų183147.2 Ų147.280%0.80379%0.788SS**  trans-144.7108.3166-89.4-79.4000109.1
288T24Very low27.1Very low124 Ų124148 Ų14876%0.76179%0.789SS**  77.7128.399.958.10000116.6
289T25.7Very low27.2Very low120 Ų120151.2 Ų151.274%0.73679%0.792SS**  trans-65139.6177.147.30000113.5
290N27.2Very low27.3Very low171 Ų171146.9 Ų146.991%0.91479%0.79SS**  trans-105.8125162.7-127.3-2.5000109.5
291F25.2Very low27.2Very low171 Ų171144.3 Ų144.375%0.7579%0.786SS**  trans-75.5149.3175.4-79.2-108.3000110
292N30.8Very low27.4Very low163 Ų163146 Ų14687%0.87279%0.789SS**  trans-143.7103.9154.7-153.68.7000109.1N294N292-N294 PolarHBondContact O-N 2.82Å
293D31.6Very low27.4Very low128 Ų128143.9 Ų143.968%0.68479%0.786SS**  trans-72121.7177.6-74.2-41.4000109.6
294N29.2Very low27.6Very low167 Ų167145.9 Ų145.989%0.89379%0.794SS**  trans-117.9111161.9-149.36.2000109.2N292N292-N294 PolarHBondContact O-N 2.82Å
295K28.9Very low27.6Very low167 Ų167148.1 Ų148.173%0.72679%0.791SS**  trans-81.5172.6174.9-71.2173.3179.8168.30109.5
296D33.2Very low27.7Very low136 Ų136148.6 Ų148.673%0.72779%0.789SS**  trans72.682.9167.2-51.7-33.7000117.2
297N29.9Very low27.9Very low157 Ų157149.7 Ų149.784%0.8478%0.779SS**  -152.6121.6116.5-107.2-50.8000112.7
298K26.6Very low28Very low190 Ų190148.4 Ų148.483%0.82678%0.781SS**  trans-98.485.5179.4-68.4176.2-178.9171.80110.7
299Y33.4Very low28.1Very low230 Ų230151.4 Ų151.490%0.90278%0.779SS**  trans-139.3121.1159.1-80-72.3000110.9
300S25Very low28.3Very low105 Ų105153.5 Ų153.573%0.73479%0.786SS**  trans-114.2151.1-176.654.30000111.4
301S27.2Very low28.4Very low113 Ų113151.1 Ų151.179%0.7978%0.778SS**  trans66.4126.3-175.7770000112.9
302L28.4Very low28.8Very low159 Ų159151.3 Ų151.383%0.83279%0.786SS**  -160.9157.252.7-153.469.2000109.8
303C25.6Very low28.7Very low111 Ų111152.5 Ų152.575%0.7578%0.783SS**  trans25.9119.3166.3-73.50000119.2
304T27.4Very low28.7Very low129 Ų129155.9 Ų155.979%0.79179%0.792SS**  -151.9142.763.334.90000113.2T306T304-T306 PolarHBondContact O-N 2.93Å
305R24Very low28.6Very low201 Ų201159 Ų15976%0.75879%0.791SS**  trans-87.485.8-177.6179.9-176.2172.9167.34110.5N307R305-N307 WeakPolarHBondContact CG-OD1 3.35Å; R305-N307 PolarHBondContact NE-OD1 2.97Å; R305-N307 PolarHBondContact O-N 2.91Å; R305-N307 VanDerWaalsContact O-N 3.15Å
306T30.2Very low28.6Very low126 Ų126156.7 Ų156.777%0.77380%0.796SS**  trans-69.6103.6162.833.10000108.9T304 N308T304-T306 PolarHBondContact O-N 2.93Å; T306-N308 PolarHBondContact O-N 2.94Å; T306-N308 VanDerWaalsContact O-N 3.12Å
307N26.8Very low28.4Very low92 Ų92154.9 Ų154.949%0.49279%0.794SS.*  trans-72.7104.6-176.1-71.1-64000111.1R305 Y309R305-N307 WeakPolarHBondContact CG-OD1 3.35Å; R305-N307 PolarHBondContact NE-OD1 2.97Å; R305-N307 PolarHBondContact O-N 2.91Å; R305-N307 VanDerWaalsContact O-N 3.15Å; N307-Y309 HydrophobicContact CB-CD2 3.84Å; N307-Y309 HydrophobicContact CB-CE2 4.12Å; N307-Y309 PolarHBondContact O-N 2.95Å
308N27.2Very low28.3Very low157 Ų157152.5 Ų152.584%0.8479%0.789SS**  trans-67.697.9163.6-78.4-35.6000110.2T306T306-N308 PolarHBondContact O-N 2.94Å; T306-N308 VanDerWaalsContact O-N 3.12Å
309Y26.9Very low28.3Very low187 Ų187149.2 Ų149.273%0.73379%0.785SS**  trans-126.167.9168.2-80.2-66.4000110.7N307N307-Y309 HydrophobicContact CB-CD2 3.84Å; N307-Y309 HydrophobicContact CB-CE2 4.12Å; N307-Y309 PolarHBondContact O-N 2.95Å
310D30.3Very low28.1Very low164 Ų164142.7 Ų142.788%0.87777%0.773SS**  trans-151.542.8170.4-107.5-28.4000113.6
311T28.8Very low28.5Very low120 Ų120143.5 Ų143.574%0.73678%0.776SS**  trans-130.224.3173.953.70000114.2F313T311-F313 PolarHBondContact O-N 3.37Å
312L32.6Very low28.6Very low176 Ų176149.3 Ų149.392%0.92178%0.782SS**  trans-77.983.6161.1-81.9174.6000109.9K314L312-K314 PolarHBondContact O-N 3.04Å
313F30.3Very low28.8Very low188 Ų188152.3 Ų152.383%0.82578%0.783SS**  trans-35.7104.5166.3-94.3-104.7000110.9T311 R315T311-F313 PolarHBondContact O-N 3.37Å; F313-R315 VanDerWaalsContact C-N 3.29Å; F313-R315 PolarHBondContact O-N 3.42Å
314K31.4Very low29.2Very low198 Ų198152.1 Ų152.186%0.86178%0.78SS**  trans-64.199.2161.3-79.1-178.2180170.60106.6L312 S316L312-K314 PolarHBondContact O-N 3.04Å; K314-S316 PolarHBondContact O-N 2.86Å
315R26.7Very low29.8Very low234 Ų234153.5 Ų153.588%0.88378%0.782SS**  trans-44.6118.7170.4-74.1178.8168.9-177.8-4.7108.1F313 S317F313-R315 VanDerWaalsContact C-N 3.29Å; F313-R315 PolarHBondContact O-N 3.42Å; R315-S317 VanDerWaalsContact C-N 3.28Å; R315-S317 PolarHBondContact O-N 3.47Å
316S28.3Very low30.3Very low117 Ų117148 Ų14882%0.81878%0.78SS**  trans-60.790.3178.5-43.10000109K314 S318K314-S316 PolarHBondContact O-N 2.86Å; S316-S318 PolarHBondContact O-N 3.1Å
317S28.8Very low30.4Very low98 Ų98149.7 Ų149.769%0.68578%0.784SS**  trans-70.388.2170.857.30000107R315 T319R315-S317 VanDerWaalsContact C-N 3.28Å; R315-S317 PolarHBondContact O-N 3.47Å; S317-T319 PolarHBondContact O-N 3Å
318S28.2Very low30.5Very low107 Ų107155.6 Ų155.675%0.74880%0.801SS**  trans-71.155.1174.963.20000110.7S316 S320S316-S318 PolarHBondContact O-N 3.1Å; S318-S320 PolarHBondContact O-N 2.82Å
319T27.7Very low30.6Very low121 Ų121159 Ų15974%0.74280%0.802SS**  trans-78.377.2161.652.10000106.7S317S317-T319 PolarHBondContact O-N 3Å
320S28.7Very low30.8Very low93 Ų93154.9 Ų154.965%0.6580%0.798SS**  trans-43.8131.1165.5-47.50000108.2S318 Y322S318-S320 PolarHBondContact O-N 2.82Å; S320-Y322 PolarHBondContact O-N 2.77Å; S320-Y322 VanDerWaalsContact O-N 3.11Å
321P33.6Very low30.8Very low122 Ų122152.5 Ų152.579%0.79279%0.794SS**  trans-54.2126.9178.822.5-32.7000108.1R323P321-R323 PolarHBondContact O-N 3.39Å
322Y28.6Very low31Very low235 Ų235156.6 Ų156.692%0.92280%0.796SS**  trans-50.4104.2-176.6-103.3-99.1000108.9S320 P324S320-Y322 PolarHBondContact O-N 2.77Å; S320-Y322 VanDerWaalsContact O-N 3.11Å; Y322-P324 WeakPolarHBondContact O-CD 3.42Å; Y322-P324 VanDerWaalsContact O-N 3.14Å
323R32.6Very low30.9Very low223 Ų223153.8 Ų153.884%0.84279%0.792SS**  trans-57.4122.1177.4-165.1-179-165.4-161.25.1105.9P321 L325P321-R323 PolarHBondContact O-N 3.39Å; R323-L325 PolarHBondContact O-N 3.12Å
324P34.8Very low31Very low106 Ų106151.7 Ų151.769%0.68879%0.788SS**  trans-52.2130.7176.7-25.934.2000108.3Y322 A326Y322-P324 WeakPolarHBondContact O-CD 3.42Å; Y322-P324 VanDerWaalsContact O-N 3.14Å; P324-A326 PolarHBondContact O-N 2.86Å
325L38.8Very low30.9Very low158 Ų158147 Ų14783%0.82778%0.78SS**  trans-73.761.1174.1-72.1171000109.5R323 N327 Y328R323-L325 PolarHBondContact O-N 3.12Å; L325-N327 PolarHBondContact O-N 2.84Å; L325-Y328 PolarHBondContact O-N 3.32Å
326A35.2Very low31.1Very low87 Ų87140.1 Ų140.172%0.71977%0.768SS**THydrogen-bonded Turntrans-7353.9174.800000110.4P324P324-A326 PolarHBondContact O-N 2.86Å
327N32.4Very low31Very low160 Ų160142 Ų14286%0.85677%0.769SS**THydrogen-bonded Turntrans-157.86171.7-98.9-23.3000113.8L325 R329L325-N327 PolarHBondContact O-N 2.84Å; N327-R329 PolarHBondContact O-N 3.44Å
328Y29.7Very low30.9Very low216 Ų216144.1 Ų144.185%0.84777%0.768SS**  trans-80.169.9163.1-124.1-90000110.2L325 P330L325-Y328 PolarHBondContact O-N 3.32Å; Y328-P330 VanDerWaalsContact O-CD 3.3Å; Y328-P330 WeakPolarHBondContact O-CD 3.46Å
329R29Very low30.9Very low228 Ų228148.4 Ų148.486%0.8677%0.773SS**  trans-75.9113.3169.9-163.4179.6-164.8-177.44.8107.1N327 S331N327-R329 PolarHBondContact O-N 3.44Å; R329-S331 PolarHBondContact O-N 3.13Å
330P31.4Very low31Very low102 Ų102148.6 Ų148.666%0.66277%0.768SS**  trans-63.6122.7-178.7-20.733.8000109.8Y328 W332Y328-P330 VanDerWaalsContact O-CD 3.3Å; Y328-P330 WeakPolarHBondContact O-CD 3.46Å; P330-W332 PolarHBondContact O-N 3.11Å
331S30.4Very low31.1Very low113 Ų113151.3 Ų151.379%0.7977%0.774SS**  trans-75.761.817836.90000111.7R329R329-S331 PolarHBondContact O-N 3.13Å
332W32.2Very low30.9Very low206 Ų206149.6 Ų149.678%0.7877%0.766SS**  trans-129.761.3172.5-65.682000109.8P330 L334P330-W332 PolarHBondContact O-N 3.11Å; W332-L334 PolarHBondContact O-N 3.45Å
333S30.8Very low30.7Very low118 Ų118145.1 Ų145.183%0.82576%0.757SS**  trans-69.875.1158.255.70000108.7S335S333-S335 PolarHBondContact O-N 2.71Å
334L31.1Very low30.5Very low143 Ų143142 Ų14275%0.74975%0.753SS**  trans-64.4105.4165.7-83.3165.4000107.1W332 S336W332-L334 PolarHBondContact O-N 3.45Å; L334-S336 PolarHBondContact O-N 3.03Å
335S29.8Very low30.3Very low100 Ų100142.7 Ų142.770%0.69976%0.755SS**  trans-68.775.5173.8600000109.5S333 N337S333-S335 PolarHBondContact O-N 2.71Å; S335-N337 PolarHBondContact O-N 3.36Å
336S30.7Very low29.9Very low90 Ų90141.9 Ų141.963%0.62975%0.751SS**  trans-65.598.3167.61790000107.5L334 H338L334-S336 PolarHBondContact O-N 3.03Å; S336-H338 PolarHBondContact O-N 3.18Å
337N26.2Very low29.4Very low157 Ų157148.3 Ų148.384%0.8476%0.758SS**  trans-69.555.9172.2-76.8-36.7000110.9S335 K339S335-N337 PolarHBondContact O-N 3.36Å; N337-K339 PolarHBondContact O-N 3.26Å
338H26.8Very low29.1Very low142 Ų142147.7 Ų147.766%0.65776%0.755SS**  trans-86.790.5171.3-108.7-68.5000109.3S336 I340S336-H338 PolarHBondContact O-N 3.18Å; H338-I340 HydrophobicContact CB-CD1 4.4Å; H338-I340 HydrophobicContact CB-CG1 4.17Å; H338-I340 PolarHBondContact O-N 2.83Å
339K28.5Very low28.9Very low196 Ų196142.2 Ų142.285%0.85275%0.748SS**  trans-59.281.8153.5-78.5-178.6171.9179.90108.4N337 L341N337-K339 PolarHBondContact O-N 3.26Å; K339-L341 PolarHBondContact O-N 2.91Å
340I29.5Very low29Very low126 Ų126136.1 Ų136.165%0.64674%0.736SS**  trans-86.6100.3162.8-64.4174.9000105.5H338 S342H338-I340 HydrophobicContact CB-CD1 4.4Å; H338-I340 HydrophobicContact CB-CG1 4.17Å; H338-I340 PolarHBondContact O-N 2.83Å; I340-S342 PolarHBondContact O-N 3.07Å
341L31.2Very low28.8Very low149 Ų149138 Ų13878%0.7874%0.74SS**  trans-68.774.7165.6-73.9156.7000108K339 N343K339-L341 PolarHBondContact O-N 2.91Å; L341-N343 PolarHBondContact O-N 3.12Å
342S28.9Very low28.7Very low87 Ų87139.3 Ų139.361%0.60874%0.738SS**  trans-72.985166.7530000107.9I340 E344I340-S342 PolarHBondContact O-N 3.07Å; S342-E344 PolarHBondContact O-N 2.93Å
343N25Very low28.5Very low140 Ų140137.1 Ų137.175%0.74974%0.737SS**  trans-67.764.3162.3-74.9-7.4000109.1L341 T345L341-N343 PolarHBondContact O-N 3.12Å; N343-T345 PolarHBondContact O-N 2.9Å
344E28.4Very low28.4Very low158 Ų158138.4 Ų138.474%0.73874%0.735SS**  trans-87.188163.5-70.9-167.7-179.300107.3S342 L346S342-E344 PolarHBondContact O-N 2.93Å; E344-L346 PolarHBondContact O-N 2.97Å
345T30.6Very low28.1Very low121 Ų121140 Ų14074%0.74274%0.738SS**  trans-63.479.6162.847.20000108.6N343 Y347N343-T345 PolarHBondContact O-N 2.9Å; T345-Y347 PolarHBondContact O-N 3.09Å
346L29.9Very low28Very low141 Ų141145.3 Ų145.374%0.73874%0.744SS**  trans-60.5118.6166.6-78169.4000107.7E344 N348E344-L346 PolarHBondContact O-N 2.97Å; L346-N348 PolarHBondContact O-N 3.35Å
347Y24.7Very low28Very low222 Ų222146.6 Ų146.687%0.87175%0.748SS**  trans-59.398.1174.9-95.5-111.3000109.4T345 S349T345-Y347 PolarHBondContact O-N 3.09Å; Y347-S349 PolarHBondContact O-N 3.29Å
348N26.9Very low28.1Very low147 Ų147144.8 Ų144.879%0.78674%0.743SS**  trans-73.479.5163.4-81.6-16.8000108.8L346 V350L346-N348 PolarHBondContact O-N 3.35Å; N348-V350 HydrophobicContact CB-CG2 4.46Å; N348-V350 PolarHBondContact O-N 3.01Å
349S25Very low28.2Very low100 Ų100143.8 Ų143.870%0.69975%0.749SS**  trans-69.485.5155.61730000107Y347Y347-S349 PolarHBondContact O-N 3.29Å
350V31.5Very low28.4Very low101 Ų101144.2 Ų144.261%0.61275%0.751SS**  trans-11497.3165.2-179.50000106.1N348 N352N348-V350 HydrophobicContact CB-CG2 4.46Å; N348-V350 PolarHBondContact O-N 3.01Å; V350-N352 PolarHBondContact O-N 3.26Å
351D26.6Very low28.3Very low141 Ų141147 Ų14775%0.75476%0.761SS**  trans-61.3101.5170.2-66.3-51000109
352N28.8Very low28.4Very low140 Ų140149.2 Ų149.275%0.74976%0.764SS**  trans-130.976164.2-101.5-29.2000108.9V350 N354V350-N352 PolarHBondContact O-N 3.26Å; N352-N354 PolarHBondContact O-N 3.02Å; N352-N354 VanDerWaalsContact O-N 3.08Å
353Q27.4Very low28.3Very low161 Ų161155.3 Ų155.375%0.75278%0.776SS**  trans-59.5101.4158.6-70.7-73.7-4.400108.5
354N29.1Very low28.8Very low145 Ų145156.3 Ų156.378%0.77578%0.78SS**  trans-160.483.4156.6-96.6-36.5000108.7N352 Y356N352-N354 PolarHBondContact O-N 3.02Å; N352-N354 VanDerWaalsContact O-N 3.08Å; N354-Y356 PolarHBondContact O-N 3.34Å
355E24.4Very low28.9Very low175 Ų175155.6 Ų155.682%0.81878%0.781SS**  trans-61.9112.9164.9-61179.3126.200109.4
356Y28.7Very low28.9Very low213 Ų213155 Ų15584%0.83578%0.782SS**  trans-153.9124.5158.4-97.6-60.5000113.7N354N354-Y356 PolarHBondContact O-N 3.34Å
357V29.9Very low28.9Very low117 Ų117157.1 Ų157.171%0.70979%0.786SS**  trans6888.3154.4-1630000119.1
358T28.5Very low29.3Very low118 Ų118153.8 Ų153.872%0.72478%0.781SS**  55.1122.3121.8-35.40000120.6
359P28.9Very low29.4Very low121 Ų121150.6 Ų150.679%0.78677%0.77SS**  trans-76.2142.6179.432.5-35.9000113.5
360K32.2Very low29.4Very low206 Ų206153.6 Ų153.690%0.89678%0.779SS**  trans-111.6111.3162.9-81-175.6176.9174.80110.7
361Q27.1Very low29.2Very low184 Ų184155.7 Ų155.786%0.8679%0.786SS**  trans-65.3129.8167.5-66.7165.7-31.800110.2
362K34.4Very low29.2Very low196 Ų196155.8 Ų155.885%0.85279%0.787SS**  trans-141.298.6156.5-81-164.5174.6-175.20110.5
363Y27.1Very low29.3Very low215 Ų215156.5 Ų156.584%0.84379%0.789SS**  27.1111.4129.7-75.6-87.9000118.1
364L34.1Very low29.3Very low161 Ų161154.1 Ų154.184%0.84379%0.79SS**  -179.2118.594.7-99163000111.5S366L364-S366 PolarHBondContact O-N 3.16Å
365D30.6Very low29.2Very low142 Ų142154.1 Ų154.176%0.75979%0.79SS**  trans-68.4117163.4-80.9-62.4000109.8
366S30.7Very low29.4Very low110 Ų110154.2 Ų154.277%0.76979%0.788SS**  trans-107.676.5164.6-128.60000110.1L364 I368L364-S366 PolarHBondContact O-N 3.16Å; S366-I368 PolarHBondContact O-N 3.08Å
367K30.9Very low29.4Very low185 Ų185153 Ų15380%0.80479%0.789SS**  trans-83.991.3166.9-71.6-177.9-178.3173.40109.1
368I31.8Very low29.1Very low151 Ų151158.3 Ų158.377%0.77480%0.797SS**  trans-115.6100.1168.5-60.8-176.1000110.4S366S366-I368 PolarHBondContact O-N 3.08Å
369S29.6Very low29.4Very low80 Ų80157.6 Ų157.656%0.55979%0.794SS**  trans36.2105.5146.6-152.10000120.2N371S369-N371 PolarHBondContact O-N 3.37Å; S369-N371 PolarHBondContact OG-OD1 3.23Å
370N24.5Very low29.4Very low164 Ų164156.4 Ų156.488%0.87779%0.789SS**  trans-73.593149.5-83.6-24.8000109.5N372N370-N372 PolarHBondContact O-N 3.45Å; N370-N372 VanDerWaalsContact O-N 3.11Å
371N27.9Very low29.4Very low145 Ų145153.9 Ų153.978%0.77579%0.785SS**  trans-74.698.7165.8-86.4-1.5000110S369S369-N371 PolarHBondContact O-N 3.37Å; S369-N371 PolarHBondContact OG-OD1 3.23Å
372N26.6Very low29.4Very low143 Ų143151.3 Ų151.377%0.76578%0.777SS**  trans-61.7135.8152.2-73.7-47.7000108.8N370N370-N372 PolarHBondContact O-N 3.45Å; N370-N372 VanDerWaalsContact O-N 3.11Å
373I31.4Very low29.2Very low155 Ų155149.9 Ų149.980%0.79577%0.774SS**  -176.2122.8125.1-92.6151.2000107.8
374S27.1Very low29Very low111 Ų111145.9 Ų145.978%0.77677%0.771SS**  trans-73.6123.8164.2430000109.3
375N26.9Very low28.8Very low144 Ų144144.8 Ų144.877%0.7777%0.772SS**  trans-156.4147.8145-106.1-38.3000113.3
376K28Very low28.7Very low177 Ų177143.8 Ų143.877%0.7777%0.771SS**  trans-46.1135.9179.2-56.5148.6179.9173.70111.9
377H29.7Very low28.6Very low187 Ų187142.4 Ų142.487%0.86677%0.774SS**  -171.5118.2121.6-93.7-60.5000112
378R24.4Very low28.4Very low229 Ų229139.7 Ų139.786%0.86477%0.773SS**  trans-103.7139.9146.4-175.2176.6-176.8158.62.7103.6
379P33.9Very low28.3Very low104 Ų104141.8 Ų141.868%0.67578%0.78SS**  cis-134.1170.832.141.6-26.1000116.1
380S28.2Very low28.3Very low96 Ų96144.3 Ų144.367%0.67179%0.792SS**  trans-153104.5143.362.70000108.8N382S380-N382 PolarHBondContact O-N 3.43Å
381D32.8Very low28.5Very low153 Ų153142.4 Ų142.482%0.81879%0.788SS**  trans-77.5111.2168.5-62.2-52000107.6
382N27Very low28.5Very low129 Ų129144.2 Ų144.269%0.6979%0.794SS**  trans-90.5144.8179.3-93.55.7000111.5S380S380-N382 PolarHBondContact O-N 3.43Å
383E29.5Very low28.6Very low167 Ų167143.1 Ų143.178%0.7879%0.793SS**  trans71.178.8151.4-66173.2157.200118.2
384T24.4Very low28.4Very low130 Ų130141.6 Ų141.680%0.79879%0.791SS**  36.1107.8104.9-45.60000117.7
385T29.4Very low28.6Very low138 Ų138142.5 Ų142.585%0.84779%0.791SS**  trans-145.9140.1135.4-62.90000110.2
386T28.2Very low28.5Very low122 Ų122143.1 Ų143.175%0.74879%0.793SS**  trans-66.9136.7-169.646.50000115.3
387G29.4Very low28.5Very low80 Ų80138.9 Ų138.983%0.82579%0.786SS**  trans-142.175.8168.600000111.5
388T25.8Very low28.7Very low128 Ų128138.5 Ų138.579%0.78578%0.784SS**  trans-90103.1-173-18.80000111.7
389Q29.8Very low28.7Very low196 Ų196135.5 Ų135.592%0.91679%0.785SS**  trans-140.9120.7154.9-72.6-163.6-800110.3
390T29.5Very low28.7Very low133 Ų133137.9 Ų137.982%0.81679%0.792SS**  trans-85.1155.2-179.612.40000111.8
391P28.2Very low28.7Very low123 Ų123141.8 Ų141.880%0.79980%0.799SS**  trans-85148.9-172.234-34.4000113
392M27.7Very low28.3Very low183 Ų183138.3 Ų138.390%0.90180%0.8SS**  trans-110.3142.2167.6-93.4-82.8-8400111.1
393T29.7Very low28.5Very low121 Ų121138 Ų13874%0.74281%0.807SS**  trans-70.6143.6-165.3180000115.6
394T26.1Very low28.4Very low122 Ų122137.1 Ų137.175%0.74881%0.808SS**  trans-11.6124.5151.8-36.90000116.8I396T394-I396 HydrophobicContact CG2-CG1 4.04Å
395V31.8Very low28.6Very low130 Ų130136.2 Ų136.279%0.78880%0.802SS**  trans-114.6114.5160.1-1740000108.8
396I25.7Very low28.5Very low157 Ų157135.3 Ų135.381%0.80580%0.796SS**  trans-88.4123.2174.4-64.5168.4000107.8T394T394-I396 HydrophobicContact CG2-CG1 4.04Å
397S28.4Very low28.5Very low88 Ų88138.2 Ų138.262%0.61581%0.806SS**  trans-153.1132.9162.655.40000114.1
398Q31.9Very low28.3Very low179 Ų179139.5 Ų139.584%0.83680%0.803SS**  trans70.188.7145.1-63.8171.318.600119.5L400Q398-L400 PolarHBondContact O-N 3.18Å
399N25.5Very low28.4Very low166 Ų166138.7 Ų138.789%0.88880%0.802SS**  trans-25.3125.1139.8-67.9-51.3000114.5
400L33.8Very low28.2Very low154 Ų154137.4 Ų137.481%0.80680%0.801SS**  trans-126.5103.7152.6-86.1170.1000110.1Q398Q398-L400 PolarHBondContact O-N 3.18Å
401Q27.7Very low28Very low178 Ų178134.9 Ų134.983%0.83280%0.801SS**  trans32.6101.2150.9-71.1163-53.700119.2
402G25.6Very low27.8Very low80 Ų80132.5 Ų132.583%0.82580%0.799SS**  70.567.6104.100000118.1
403S29.7Very low27.7Very low122 Ų122131.6 Ų131.685%0.85380%0.798SS**  trans-90111.4153.3-172.30000110.6
404L28.1Very low27.5Very low150 Ų150129.1 Ų129.179%0.78580%0.796SS**  trans-14.4120.5165.9-72.6156.2000118.4
405T28.1Very low27.6Very low110 Ų110131 Ų13168%0.67580%0.802SS**  trans45.8103.1134.155.80000120
406T27Very low27.4Very low120 Ų120132.2 Ų132.274%0.73680%0.804SS**  31.3102.5123.950.90000119
407L29.1Very low27.5Very low182 Ų182132.3 Ų132.395%0.95381%0.806SS**  trans-12389.5135.7-84.8175.4000109.5
408S25.1Very low27.6Very low108 Ų108132.3 Ų132.376%0.75581%0.811SS**  trans-86.9109.9167.152.30000109.7
409S27.1Very low27.6Very low111 Ų111129.7 Ų129.778%0.77681%0.808SS**  trans-157.4113.2150.8-161.30000112.6
410L26.6Very low27.9Very low168 Ų168133 Ų13388%0.8881%0.808SS**  trans49.6110136.5-14867.3000119.5
411G24.1Very low27.9Very low80 Ų80136.1 Ų136.183%0.82581%0.81SS**  trans-64.9168.8179.600000117.5
412G24.9Very low28.4Very low74 Ų74135.1 Ų135.176%0.76381%0.81SS**  trans177.4108.3172.600000112.2
413N25.3Very low28.8Very low164 Ų164137 Ų13788%0.87780%0.801SS**  trans52.5108.1168.3-75.3-11.7000119
414G25.4Very low29.3Very low68 Ų68140.3 Ų140.370%0.70180%0.8SS**  trans-68.9135.2160.700000112
415N28.9Very low29.7Very low161 Ų161139 Ų13986%0.86179%0.794SS**  trans-115.765.4161.9-97.2-31.4000109N417N415-N417 PolarHBondContact O-N 3.03Å
416N27.6Very low30.1Very low156 Ų156139 Ų13983%0.83479%0.79SS**  trans-75.8101.9167.9-73.6-21.7000108.7
417N28.5Very low30.7Very low160 Ų160141.6 Ų141.686%0.85679%0.793SS**  trans-139.9105.6160.9-104.6-44.8000111.5N415N415-N417 PolarHBondContact O-N 3.03Å
418A30.3Very low31.3Very low87 Ų87141.1 Ų141.172%0.71978%0.784SS**  trans-37.5132.3-176.200000115.9R420A418-R420 PolarHBondContact O-N 2.91Å
419T31.3Very low32Very low124 Ų124141.1 Ų141.176%0.76178%0.781SS**  trans-50.6104.5156.342.60000110.3Y421T419-Y421 PolarHBondContact O-N 3.38Å
420R32.5Very low32.6Very low236 Ų236141.7 Ų141.789%0.89178%0.782SS**  trans-71.3112.3171.1-63.3-173.4-165.9-164.23.8108.9A418 L422A418-R420 PolarHBondContact O-N 2.91Å; R420-L422 PolarHBondContact O-N 3.33Å; R420-L422 VanDerWaalsContact O-N 3.16Å
421Y33.7Very low33.1Very low219 Ų219144.9 Ų144.986%0.85978%0.783SS**PPolyproline II helixtrans-59116167.4-79-95.9000109.3T419 N423T419-Y421 PolarHBondContact O-N 3.38Å; Y421-N423 PolarHBondContact O-N 3.44Å
422L37.4Very low34Very low157 Ų157146.6 Ų146.682%0.82278%0.78SS**PPolyproline II helixtrans-69.5124.3175.8-75.1165.8000109.6R420R420-L422 PolarHBondContact O-N 3.33Å; R420-L422 VanDerWaalsContact O-N 3.16Å
423N33.3Very low34.7Very low120 Ų120151 Ų15164%0.64278%0.784SS**PPolyproline II helixtrans-73.5136-178-166.1-8.2000110.1Y421 N425Y421-N423 PolarHBondContact O-N 3.44Å; N423-N425 PolarHBondContact O-N 2.91Å
424K41.2Very low35.3Very low191 Ų191150.4 Ų150.483%0.8378%0.779SS**THydrogen-bonded Turntrans-72.413.3-166.5-71.8-174.8175.41790115.8
425N35.6Very low35.8Very low123 Ų123151.3 Ų151.366%0.65878%0.78SS**THydrogen-bonded Turntrans-106.2-7.7-171.4-71-14.7000114.9N423 H427N423-N425 PolarHBondContact O-N 2.91Å; N425-H427 VanDerWaalsContact C-N 3.29Å; N425-H427 PolarHBondContact O-N 2.97Å; N425-H427 PolarHBondContact O-ND1 3.08Å
426D38.3Very low36.2Very low111 Ų111152.8 Ų152.859%0.59478%0.779SS**  trans-74.678.7179-69.3-20.3000112F428D426-F428 VanDerWaalsContact C-N 3.27Å; D426-F428 HydrophobicContact CB-CD2 4.18Å; D426-F428 HydrophobicContact CB-CE2 3.8Å; D426-F428 WeakPolarHBondContact O-CD2 3.46Å; D426-F428 PolarHBondContact O-N 3Å
427H39.5Very low36.7Very low173 Ų173150.3 Ų150.380%0.80177%0.771SS**  trans-70.481.9168.4-76.871.3000109.9N425N425-H427 VanDerWaalsContact C-N 3.29Å; N425-H427 PolarHBondContact O-N 2.97Å; N425-H427 PolarHBondContact O-ND1 3.08Å
428F41Very low36.9Very low172 Ų172147.1 Ų147.175%0.75476%0.761SS**PPolyproline II helixtrans-61.6130.6169.2-75.6-81.8000110.2D426D426-F428 VanDerWaalsContact C-N 3.27Å; D426-F428 HydrophobicContact CB-CD2 4.18Å; D426-F428 HydrophobicContact CB-CE2 3.8Å; D426-F428 WeakPolarHBondContact O-CD2 3.46Å; D426-F428 PolarHBondContact O-N 3Å
429P40Very low37Very low108 Ų108151.9 Ų151.970%0.70177%0.766SS**PPolyproline II helixtrans-63.1145174.326.5-33.5000110.2R431P429-R431 PolarHBondContact O-N 3.15Å
430P40.2Very low37.1Very low124 Ų124153.5 Ų153.581%0.80577%0.765SS**PPolyproline II helixtrans-61129.3-174.423.9-33.7000111.3
431R36.4Very low37.1Very low234 Ų234147.5 Ų147.588%0.88376%0.758SS**PPolyproline II helixtrans-60.1137.4174.2-87.6-171.7173.3-150.6-0.6110.2P429 I433P429-R431 PolarHBondContact O-N 3.15Å; R431-I433 PolarHBondContact O-N 3.27Å
432P42.1Very low37.2Very low117 Ų117146.3 Ų146.376%0.7676%0.758SS**PPolyproline II helixtrans-57129.3170.4-23.333.5000110.9I434P432-I434 PolarHBondContact O-N 3.26Å; P432-I434 VanDerWaalsContact O-N 3.07Å
433I40.9Very low36.8Very low167 Ų167146.8 Ų146.886%0.85676%0.756SS**  trans-72.2102.2172.3-59.2173.4000107.2R431 A435R431-I433 PolarHBondContact O-N 3.27Å; I433-A435 PolarHBondContact O-N 3.21Å
434I37.7Very low36.6Very low151 Ų151148.4 Ų148.477%0.77476%0.764SS**  trans-71.5100.9170.6-57.3175.6000107P432 K436P432-I434 PolarHBondContact O-N 3.26Å; P432-I434 VanDerWaalsContact O-N 3.07Å; I434-K436 PolarHBondContact O-N 3.2Å; I434-K436 VanDerWaalsContact O-N 3.16Å
435A36.4Very low36.3Very low86 Ų86145.5 Ų145.571%0.71176%0.762SS**  trans-62.5114.8173.100000109.2I433I433-A435 PolarHBondContact O-N 3.21Å
436K36.6Very low36.1Very low193 Ų193146.3 Ų146.384%0.83977%0.767SS**  trans-67.4131.2173.4-72.3-178.4176.2179.60109.1I434 S438I434-K436 PolarHBondContact O-N 3.2Å; I434-K436 VanDerWaalsContact O-N 3.16Å; K436-S438 PolarHBondContact O-N 2.86Å
437P37.3Very low35.7Very low103 Ų103150 Ų15067%0.66978%0.781SS**  trans-65.8124.6174.726.5-32.7000109.9F439P437-F439 HydrophobicContact CG-CE2 4.31Å; P437-F439 PolarHBondContact O-N 3.05Å
438S32.9Very low35.5Very low93 Ų93148.6 Ų148.665%0.6578%0.784SS**  trans-80.4114173.6-174.80000109.8K436 H440K436-S438 PolarHBondContact O-N 2.86Å; S438-H440 PolarHBondContact O-N 3.4Å
439F33.4Very low35Very low187 Ų187147.2 Ų147.282%0.8278%0.784SS**  trans-81.697.1169.9-71.1-89.2000109.4P437P437-F439 HydrophobicContact CG-CE2 4.31Å; P437-F439 PolarHBondContact O-N 3.05Å
440H33.4Very low34.4Very low159 Ų159150.5 Ų150.574%0.73679%0.792SS**  trans-11490.1163.9-75.1-12.1000109.5S438 K442S438-H440 PolarHBondContact O-N 3.4Å; H440-K442 PolarHBondContact O-N 3.44Å; H440-K442 VanDerWaalsContact O-N 3.12Å
441S32.7Very low33.9Very low109 Ų109153 Ų15376%0.76279%0.793SS**  trans-60.4107.1159.2-179.60000107.8
442K34.3Very low33.5Very low194 Ų194152.1 Ų152.184%0.84379%0.79SS**  trans-84.5114.4167.3-80.4-169171.8-172.20107.8H440H440-K442 PolarHBondContact O-N 3.44Å; H440-K442 VanDerWaalsContact O-N 3.12Å
443H30.4Very low33.1Very low168 Ų168153.5 Ų153.578%0.77879%0.791SS**  trans-56.3143.4175.1-110.7-103.8000111.3T445H443-T445 PolarHBondContact O-N 3.29Å
444N27.4Very low32.6Very low153 Ų153152.2 Ų152.282%0.81879%0.786SS**  trans-63129.6163.1-76.8-19.5000109.2
445T35.6Very low32.5Very low130 Ų130153.5 Ų153.580%0.79879%0.789SS**  trans-134.896.7162.2-4.80000109.1H443H443-T445 PolarHBondContact O-N 3.29Å
446N32.8Very low32.4Very low141 Ų141156.8 Ų156.875%0.75479%0.789SS**  trans18.8115.2149.5-53.1-4.2000118.4V448N446-V448 PolarHBondContact O-N 3.33Å
447E29.1Very low32.4Very low189 Ų189154.9 Ų154.988%0.88378%0.783SS**  15.7104.7123.9-60.1177.2168.300117.1
448V35.1Very low32.4Very low143 Ų143159.9 Ų159.987%0.86779%0.794SS**  trans-132.2133144.2-177.20000107.9N446N446-V448 PolarHBondContact O-N 3.33Å
449N29.5Very low32.6Very low142 Ų142165.4 Ų165.476%0.75980%0.802SS**  trans-87.3154.4-171.2-87.6-52.8000113.2
450M27.8Very low32.5Very low177 Ų177159.5 Ų159.587%0.87279%0.794SS**  trans51.8101.1145.5-61.7-82.2-161.200118.1
451E30.7Very low32.5Very low177 Ų177161.7 Ų161.783%0.82780%0.796SS**  trans-137.3122.7141.4-160.5161.7-140.400109.9
452R26.7Very low32.8Very low216 Ų216161.2 Ų161.282%0.81579%0.788SS**  trans-81.1127.6172.6-71.7-178.8-176.7164.6-0.6108.1
453N34.6Very low32.8Very low145 Ų145161.5 Ų161.578%0.77579%0.786SS**  trans-132.294.1158.1-81.2-55.7000108.2E455N453-E455 PolarHBondContact O-N 3.36Å
454D31.2Very low33.1Very low140 Ų140163.2 Ų163.275%0.74979%0.787SS**  trans-78.8100.4170.9-69-62.9000108.8
455E35.2Very low33.6Very low179 Ų179163.2 Ų163.284%0.83679%0.785SS**  trans-151.1104.6164.6-122.9168.3-137.300115.6N453N453-E455 PolarHBondContact O-N 3.36Å
456H33.9Very low33.5Very low154 Ų154161.2 Ų161.271%0.71378%0.782SS**  trans49.697138.3-69.3-86.1000121.7
457H36.9Very low33.4Very low153 Ų153165.4 Ų165.471%0.70879%0.787SS**  42.698.1126.7-49.5-35.4000120
458K37.8Very low33.5Very low209 Ų209167.6 Ų167.691%0.90979%0.787SS**  trans-124.6129.8140.6-107.4175.8-177.7169.50111.2G460K458-G460 VanDerWaalsContact C-N 3.27Å; K458-G460 PolarHBondContact O-N 2.96Å
459Y36Very low33.5Very low208 Ų208165.7 Ų165.782%0.81678%0.778SS**  trans-71.167.8-169.4-70.1-92.8000114.1R461Y459-R461 PolarHBondContact O-N 2.95Å; Y459-R461 VanDerWaalsContact O-N 3.11Å
460G32.1Very low33.6Very low63 Ų63168.2 Ų168.265%0.64979%0.785SS**  trans-76.881.8164.400000111.1K458 T462K458-G460 VanDerWaalsContact C-N 3.27Å; K458-G460 PolarHBondContact O-N 2.96Å; G460-T462 VanDerWaalsContact C-N 3.26Å; G460-T462 PolarHBondContact O-N 3.46Å; G460-T462 PolarHBondContact O-OG1 3.27Å
461R33.1Very low34Very low205 Ų205166.1 Ų166.177%0.77478%0.776SS**  trans-67.284.5171.4-79.4-173.3176.4175.60.7110.4Y459 Y463Y459-R461 PolarHBondContact O-N 2.95Å; Y459-R461 VanDerWaalsContact O-N 3.11Å; R461-Y463 PolarHBondContact O-N 3.38Å
462T38.2Very low33.9Very low100 Ų100161.9 Ų161.961%0.61377%0.771SS**  trans-73.3111.1173.1-47.90000109.3G460 Y464G460-T462 VanDerWaalsContact C-N 3.26Å; G460-T462 PolarHBondContact O-N 3.46Å; G460-T462 PolarHBondContact O-OG1 3.27Å; T462-Y464 HydrophobicContact CG2-CE2 4.47Å; T462-Y464 WeakPolarHBondContact O-CD2 3.48Å; T462-Y464 PolarHBondContact O-N 3.45Å
463Y34.4Very low34.2Very low200 Ų200158.7 Ų158.778%0.78477%0.766SS**  trans-70.895.9175.7-69.2-88.2000110.5R461 I465R461-Y463 PolarHBondContact O-N 3.38Å; Y463-I465 PolarHBondContact O-N 3.44Å
464Y36.1Very low34.1Very low204 Ų204156.4 Ų156.480%0.876%0.761SS**  trans-7098.1166.2-67-81.3000109.4T462 A466T462-Y464 HydrophobicContact CG2-CE2 4.47Å; T462-Y464 WeakPolarHBondContact O-CD2 3.48Å; T462-Y464 PolarHBondContact O-N 3.45Å; Y464-A466 PolarHBondContact O-N 2.91Å
465I38.4Very low34Very low152 Ų152155.8 Ų155.878%0.77976%0.758SS**  trans-68.288.6160.4-58.5177.3000106.5Y463 R467Y463-I465 PolarHBondContact O-N 3.44Å; I465-R467 VanDerWaalsContact C-N 3.31Å; I465-R467 PolarHBondContact O-N 3.2Å
466A33.4Very low33.6Very low89 Ų89155.6 Ų155.674%0.73676%0.756SS**  trans-62.793.7173.400000108.7Y464 R468Y464-A466 PolarHBondContact O-N 2.91Å; A466-R468 PolarHBondContact O-N 2.99Å
467R31Very low33.5Very low228 Ų228155.8 Ų155.886%0.8676%0.757SS**  trans-62.4101.6169.1-59.1-174-164.5-175.46.5106.7I465 P469I465-R467 VanDerWaalsContact C-N 3.31Å; I465-R467 PolarHBondContact O-N 3.2Å; R467-P469 WeakPolarHBondContact O-CD 3.34Å; R467-P469 VanDerWaalsContact O-N 3.14Å
468R31.7Very low33.2Very low235 Ų235158.1 Ų158.189%0.88777%0.765SS**  trans-55.8121.5166.4-90-173.9171.5175-2.1107.1A466 Q470A466-R468 PolarHBondContact O-N 2.99Å; R468-Q470 PolarHBondContact O-N 2.94Å
469P34.3Very low33Very low103 Ų103157.5 Ų157.567%0.66976%0.759SS**  trans-61.3134.7176.824.5-32.2000108.7R467 I471R467-P469 WeakPolarHBondContact O-CD 3.34Å; R467-P469 VanDerWaalsContact O-N 3.14Å; P469-I471 HydrophobicContact CG-CG1 4.49Å; P469-I471 PolarHBondContact O-N 3.35Å
470Q32.6Very low32.8Very low196 Ų196155 Ų15592%0.91676%0.759SS**  trans-68.884.4166.9-75.7-178.8-39.400108.3R468 A472R468-Q470 PolarHBondContact O-N 2.94Å; Q470-A472 VanDerWaalsContact C-N 3.34Å; Q470-A472 PolarHBondContact O-N 3.45Å; Q470-A472 VanDerWaalsContact O-N 3.08Å
471I34.9Very low32.7Very low132 Ų132157.4 Ų157.468%0.67776%0.763SS**  trans-73.199.5161.8-59.2178.9000105.6P469 Q473P469-I471 HydrophobicContact CG-CG1 4.49Å; P469-I471 PolarHBondContact O-N 3.35Å; I471-Q473 VanDerWaalsContact C-N 3.3Å; I471-Q473 HydrophobicContact CG2-CG 4.24Å; I471-Q473 PolarHBondContact O-N 2.99Å
472A29.4Very low32.6Very low88 Ų88156.3 Ų156.373%0.72777%0.766SS**  trans-64.492.3170.400000108.6Q470 S474Q470-A472 VanDerWaalsContact C-N 3.34Å; Q470-A472 PolarHBondContact O-N 3.45Å; Q470-A472 VanDerWaalsContact O-N 3.08Å; A472-S474 PolarHBondContact O-N 3.05Å
473Q33.8Very low32.2Very low150 Ų150156.2 Ų156.270%0.70178%0.776SS**  trans-73.983.5166.9-73.5-159.7-11.500109I471 N475I471-Q473 VanDerWaalsContact C-N 3.3Å; I471-Q473 HydrophobicContact CG2-CG 4.24Å; I471-Q473 PolarHBondContact O-N 2.99Å; Q473-N475 PolarHBondContact O-N 2.94Å; Q473-N475 PolarHBondContact OE1-ND2 2.81Å
474S30.9Very low32Very low96 Ų96154.1 Ų154.167%0.67178%0.777SS**  trans-68.566.9162.7570000109.7A472 H476A472-S474 PolarHBondContact O-N 3.05Å; S474-H476 PolarHBondContact O-N 3.49Å
475N29.5Very low31.6Very low128 Ų128150.8 Ų150.868%0.68477%0.773SS**  trans-75.599.8173.7-75.3-18.5000108.3Q473 Q477Q473-N475 PolarHBondContact O-N 2.94Å; Q473-N475 PolarHBondContact OE1-ND2 2.81Å; N475-Q477 PolarHBondContact O-N 2.83Å
476H27.9Very low31.3Very low174 Ų174151.8 Ų151.881%0.80677%0.774SS**  trans-36.4127.7177.7-66.7-98.4000113.2S474 K478S474-H476 PolarHBondContact O-N 3.49Å; H476-K478 PolarHBondContact O-N 3.11Å
477Q30.9Very low31Very low158 Ų158154.8 Ų154.874%0.73878%0.778SS**  trans-58.7111.2160.2-76.5172.5-42.700108.4N475 Y479N475-Q477 PolarHBondContact O-N 2.83Å; Q477-Y479 VanDerWaalsContact C-N 3.25Å; Q477-Y479 HydrophobicContact CB-CD2 4.08Å; Q477-Y479 HydrophobicContact CB-CE2 4.16Å; Q477-Y479 PolarHBondContact O-N 2.99Å
478K31.2Very low30.8Very low202 Ų202153.9 Ų153.988%0.87878%0.775SS**  trans-68.892.4158.2-84.2-173.9173.4-178.80107.5H476 L480H476-K478 PolarHBondContact O-N 3.11Å; K478-L480 PolarHBondContact O-N 2.88Å; K478-L480 VanDerWaalsContact O-N 3.09Å
479Y32.3Very low30.6Very low196 Ų196149.9 Ų149.977%0.76977%0.771SS**  trans-58108.9162.7-87.9-100.2000108.5Q477Q477-Y479 VanDerWaalsContact C-N 3.25Å; Q477-Y479 HydrophobicContact CB-CD2 4.08Å; Q477-Y479 HydrophobicContact CB-CE2 4.16Å; Q477-Y479 PolarHBondContact O-N 2.99Å
480L31.7Very low30.3Very low155 Ų155150.8 Ų150.881%0.81277%0.769SS**  trans-88.2124.7155.3-90.3150.7000106.5K478K478-L480 PolarHBondContact O-N 2.88Å; K478-L480 VanDerWaalsContact O-N 3.09Å
481P32.1Very low30Very low114 Ų114146 Ų14674%0.7476%0.757SS**  trans-70.7142-169.827.5-34.4000111.8A483P481-A483 PolarHBondContact O-N 2.95Å; P481-A483 VanDerWaalsContact O-N 3.11Å
482H30Very low29.8Very low182 Ų182148.6 Ų148.684%0.84376%0.764SS**  trans-64110.2166.4-71.5-89.1000109.4L484H482-L484 PolarHBondContact O-N 3.41Å
483A30Very low29.7Very low98 Ų98150.5 Ų150.581%0.8176%0.762SS**  trans-74.379.3164.300000109.2P481 N485P481-A483 PolarHBondContact O-N 2.95Å; P481-A483 VanDerWaalsContact O-N 3.11Å; A483-N485 PolarHBondContact O-N 2.91Å
484L29.8Very low29.4Very low157 Ų157150 Ų15082%0.82276%0.764SS**  trans-69107.7161.4-84.9165000108H482H482-L484 PolarHBondContact O-N 3.41Å
485N28.9Very low29.3Very low133 Ų133152.1 Ų152.171%0.71177%0.767SS**  trans-156.3109.8163.3-96.1-38.3000108.3A483A483-N485 PolarHBondContact O-N 2.91Å
486H31Very low29.3Very low174 Ų174157.2 Ų157.281%0.80678%0.778SS**  -179.585.8125.9-87.3-46.4000109.1R488H486-R488 PolarHBondContact O-N 3.36Å; H486-R488 VanDerWaalsContact O-N 3.16Å
487D27.2Very low29.2Very low151 Ų151155.5 Ų155.581%0.80778%0.775SS**  trans-57.3114.7154.6-65.4-54.2000108.4
488R26.6Very low29.1Very low210 Ų210152.9 Ų152.979%0.79278%0.78SS**  trans-113.988159.7-83-162.8177.5-160.41.5109.2H486 L490H486-R488 PolarHBondContact O-N 3.36Å; H486-R488 VanDerWaalsContact O-N 3.16Å; R488-L490 PolarHBondContact O-N 2.87Å; R488-L490 VanDerWaalsContact O-N 3.07Å
489N27.6Very low28.9Very low151 Ų151148.8 Ų148.881%0.80777%0.768SS**  trans-54.5109.1156.1-74.1-39.9000108.8
490L29.2Very low28.7Very low122 Ų122145.3 Ų145.364%0.63977%0.767SS**  trans-118.863.7166.5-89158.4000108.6R488 F492R488-L490 PolarHBondContact O-N 2.87Å; R488-L490 VanDerWaalsContact O-N 3.07Å; L490-F492 VanDerWaalsContact C-N 3.31Å; L490-F492 HydrophobicContact CD2-CD2 4.17Å; L490-F492 HydrophobicContact CD2-CE2 3.61Å; L490-F492 HydrophobicContact CD2-CZ 4.31Å; L490-F492 PolarHBondContact O-N 2.84Å; L490-F492 VanDerWaalsContact O-N 3.08Å
491S26Very low28.5Very low94 Ų94145.8 Ų145.866%0.65777%0.769SS**  trans-76.580.8169.656.40000110N493S491-N493 PolarHBondContact O-N 3.02Å
492F29.5Very low28.3Very low188 Ų188146.3 Ų146.383%0.82577%0.765SS**  trans-76.977.4162.4-79.8-66.8000109.6L490 N494L490-F492 VanDerWaalsContact C-N 3.31Å; L490-F492 HydrophobicContact CD2-CD2 4.17Å; L490-F492 HydrophobicContact CD2-CE2 3.61Å; L490-F492 HydrophobicContact CD2-CZ 4.31Å; L490-F492 PolarHBondContact O-N 2.84Å; L490-F492 VanDerWaalsContact O-N 3.08Å; F492-N494 PolarHBondContact O-N 3.42Å
493N27.2Very low28.1Very low128 Ų128145.5 Ų145.568%0.68477%0.767SS**  trans-80.1108.3167.7-88.1-21.1000109.9S491S491-N493 PolarHBondContact O-N 3.02Å
494N27.7Very low28.1Very low139 Ų139147.9 Ų147.974%0.74377%0.766SS**  trans62.4169.8139-57.6-21.7000120.3F492F492-N494 PolarHBondContact O-N 3.42Å
495I29.7Very low27.8Very low141 Ų141146.9 Ų146.972%0.72377%0.767SS**  trans80.178.3171-43.7163.1000114.8
496Y29.8Very low27.8Very low234 Ų234147.5 Ų147.592%0.91877%0.77SS**  -140.176.9126-85.6-66.8000109.4A498Y496-A498 VanDerWaalsContact C-N 3.28Å; Y496-A498 PolarHBondContact O-N 3.22Å
497D25.6Very low27.6Very low139 Ų139145.3 Ų145.374%0.74377%0.769SS**  trans-69.887.7161.7-99.1-26.7000108.4N499D497-N499 PolarHBondContact O-N 3.06Å
498A28.3Very low27.7Very low103 Ų103142.1 Ų142.185%0.85176%0.764SS**  trans-76.166.2168.100000109.7Y496 T500Y496-A498 VanDerWaalsContact C-N 3.28Å; Y496-A498 PolarHBondContact O-N 3.22Å; A498-T500 PolarHBondContact O-N 3.4Å
499N26.9Very low27.9Very low115 Ų115139.5 Ų139.562%0.61577%0.765SS**  trans-64.8121.2177.9-85.7-50.5000111.1D497D497-N499 PolarHBondContact O-N 3.06Å
500T27.1Very low27.8Very low124 Ų124140.8 Ų140.876%0.76177%0.766SS**  trans5187146.658.20000117.3A498A498-T500 PolarHBondContact O-N 3.4Å
501L28.2Very low27.9Very low164 Ų164141.3 Ų141.386%0.85977%0.77SS**  trans-112.892.6152.3-157.777.7000110.9
502I29Very low28.2Very low125 Ų125147.1 Ų147.164%0.64178%0.783SS**  trans42.2111.6139.6-54.5171.3000117.3N504I502-N504 PolarHBondContact O-N 3.28Å
503N25.1Very low28.1Very low165 Ų165145 Ų14588%0.88278%0.781SS**  trans-59.7118.6158-67.1-29.1000110.1
504N29.4Very low28.2Very low149 Ų149146.7 Ų146.780%0.79778%0.782SS**  trans-116.1106.5155.6-82.5-16.8000108.5I502 D506I502-N504 PolarHBondContact O-N 3.28Å; N504-D506 PolarHBondContact O-N 2.96Å
505T23.9Very low28.2Very low136 Ų136146.8 Ų146.883%0.83479%0.788SS**  trans-58.5121.7157.533.30000109.7
506D29.3Very low28Very low145 Ų145145.9 Ų145.978%0.77578%0.784SS**  trans-156.7119.3130.2-123.1-34.2000113.9N504N504-D506 PolarHBondContact O-N 2.96Å
507T26.9Very low27.9Very low128 Ų128144.6 Ų144.679%0.78578%0.784SS**  trans9.5116.2139.7-27.80000119.6
508A27.9Very low27.9Very low85 Ų85143.6 Ų143.670%0.70278%0.783SS**  178.6158.9129.300000112.5
509D31.2Very low27.9Very low155 Ų155146.4 Ų146.483%0.82978%0.782SS**  trans65.893.8157.4-57.9-14.9000120.1
510H27Very low27.8Very low177 Ų177145.7 Ų145.782%0.81979%0.786SS**  trans-30.9157.5148.4-63.3-88.6000116.9
511D30.6Very low27.8Very low134 Ų134148.7 Ų148.772%0.71779%0.788SS**  trans97.988.2163.4-62.2-16.1000117
512F31.9Very low27.8Very low216 Ų216151.1 Ų151.195%0.94779%0.792SS**  -155.2125.2109.1-110.4-74.2000111.4
513N28.4Very low27.5Very low143 Ų143151.8 Ų151.877%0.76580%0.795SS**  trans-73.3142.3-173.5-88.1-59.3000113.8
514F27.8Very low27.4Very low164 Ų164151 Ų15172%0.71979%0.791SS**  trans-19.2133164-86.7-119.4000117.3N516F514-N516 VanDerWaalsContact CE1-ND2 3.35Å; F514-N516 WeakPolarHBondContact CE1-ND2 3.48Å
515T27.5Very low27.2Very low141 Ų141155.7 Ų155.787%0.86580%0.798SS**  trans-144.193.8131.6-26.90000110.9K517T515-K517 PolarHBondContact O-N 3.35Å
516N26.2Very low27.1Very low121 Ų121157.7 Ų157.765%0.64780%0.8SS**  trans-63.8122.3176.3-83.4-34.2000111F514 T518F514-N516 VanDerWaalsContact CE1-ND2 3.35Å; F514-N516 WeakPolarHBondContact CE1-ND2 3.48Å; N516-T518 PolarHBondContact O-N 3.13Å
517K27.6Very low26.9Very low208 Ų208155.2 Ų155.290%0.90479%0.794SS**  trans-66.5104.5163.7-90.3-178.7174.4174.50109.1T515 I519T515-K517 PolarHBondContact O-N 3.35Å; K517-I519 PolarHBondContact O-N 3.1Å
518T25.9Very low26.9Very low118 Ų118156.7 Ų156.772%0.72480%0.797SS**  trans-57.7116.4-176.9-49.30000112.2N516 S520N516-T518 PolarHBondContact O-N 3.13Å; T518-S520 VanDerWaalsContact C-N 3.33Å; T518-S520 PolarHBondContact O-N 2.78Å
519I27.9Very low26.9Very low161 Ų161161.8 Ų161.883%0.82680%0.804SS**  trans-78.383.3170.6-57.5171.4000108.5K517 K521K517-I519 PolarHBondContact O-N 3.1Å; I519-K521 PolarHBondContact O-N 2.74Å
520S26Very low26.9Very low101 Ų101163.1 Ų163.171%0.70681%0.81SS**  trans-85.792.8177.743.40000111.4T518 K522T518-S520 VanDerWaalsContact C-N 3.33Å; T518-S520 PolarHBondContact O-N 2.78Å; S520-K522 PolarHBondContact O-N 2.95Å
521K25.3Very low26.7Very low186 Ų186163.5 Ų163.581%0.80981%0.809SS**  trans-52.3134.7166.1-70.1174.9176.3174.10110.2I519I519-K521 PolarHBondContact O-N 2.74Å
522K28.4Very low26.5Very low215 Ų215162.2 Ų162.294%0.93581%0.808SS**  trans-132.5129.9157.6-121.7176-175.4173.70110.7S520S520-K522 PolarHBondContact O-N 2.95Å
523I23.2Very low26.1Very low139 Ų139160.2 Ų160.271%0.71381%0.807SS**  trans-104.9141.4-171.9-70.2170.1000109.3
524N24.1Very low25.8Very low148 Ų148157.1 Ų157.179%0.79180%0.796SS**  trans30.6122.8159.8-56.7-14.4000120.3
525R25.2Very low25.7Very low249 Ų249160.2 Ų160.294%0.9481%0.805SS**  trans-131.3123.7138-77.9-171.1173.5170.4-2.8110.2
526M20.5Very low25.7Very low178 Ų178161.8 Ų161.888%0.87781%0.807SS**  trans-94.1171159.8-77.8-176.970.300109.6
527S24.6Very low25.5Very low93 Ų93161 Ų16165%0.6581%0.811SS**  trans78.7125.6178.1-46.40000112.5
528D27.8Very low25.4Very low158 Ų158159 Ų15985%0.84581%0.811SS**  -137153.560.5-78.7-41.7000117L530D528-L530 PolarHBondContact O-N 2.82Å
529F27.9Very low25.3Very low193 Ų193158.4 Ų158.485%0.84681%0.811SS**  trans-77.9114.8179-83-107000112.2K531F529-K531 PolarHBondContact O-N 3.24Å
530L30.3Very low25.2Very low183 Ų183157.4 Ų157.496%0.95881%0.813SS**  trans-73.984.5166.2-74.9167.7000111.6D528D528-L530 PolarHBondContact O-N 2.82Å
531K24.6Very low25.1Very low185 Ų185160 Ų16080%0.80482%0.818SS**  trans-81.2148.9145.4-85.3178.8176.2176.10107.7F529F529-K531 PolarHBondContact O-N 3.24Å
532P26.3Very low25.2Very low107 Ų107156.1 Ų156.170%0.69582%0.82SS**  cis-136.3145.736.636.7-18.4000117
533N21.9Very low25Very low173 Ų173150.5 Ų150.593%0.92581%0.808SS**  trans-93.4109.1157.7-78.2-36.3000108.6
534S23.7Very low25Very low78 Ų78153 Ų15355%0.54581%0.81SS.*  trans-158.338.317967.90000116.5
535Y24.9Very low25.2Very low229 Ų229155.1 Ų155.190%0.89882%0.815SS**  trans-138.370.8165.8-67.8-69.5000111.9
536L27Very low25.1Very low174 Ų174152.1 Ų152.191%0.91180%0.804SS**  trans-107.689.7161.9-87.1170.3000108.9
537S22.4Very low25.3Very low105 Ų105151 Ų15173%0.73480%0.802SS**  trans166.7105.8150.938.70000111
538N26.7Very low25.4Very low167 Ų167152.2 Ų152.289%0.89381%0.809SS**  -170.6149.1116.8-93.7-21.7000110.5
539S22Very low25.4Very low104 Ų104149.8 Ų149.873%0.72781%0.805SS**  trans-82.8154-162.346.90000113.9L541S539-L541 PolarHBondContact O-N 3.11Å
540T26.7Very low25.4Very low141 Ų141145.7 Ų145.787%0.86580%0.801SS**SBendtrans-64.591.8164.948.70000110.9
541L24.3Very low25.3Very low156 Ų156143.4 Ų143.482%0.81779%0.788SS**  trans-152.237.2164.5-140.178.3000114.6S539 S543S539-L541 PolarHBondContact O-N 3.11Å; L541-S543 VanDerWaalsContact C-N 3.34Å; L541-S543 PolarHBondContact O-N 2.93Å
542A27.3Very low25.4Very low103 Ų103142 Ų14285%0.85179%0.79SS**  trans-70.596157.700000108.4Y544A542-Y544 PolarHBondContact O-N 3.02Å
543S24.6Very low25.5Very low97 Ų97142.3 Ų142.368%0.67880%0.795SS**  trans-44.7127.8170.543.70000111.3L541L541-S543 VanDerWaalsContact C-N 3.34Å; L541-S543 PolarHBondContact O-N 2.93Å
544Y21.4Very low25.8Very low191 Ų191140.9 Ų140.975%0.74979%0.786SS**  44.567.377.5-90.2-75.7000113.5A542 R546A542-Y544 PolarHBondContact O-N 3.02Å; Y544-R546 HydrophobicContact CD1-CG 3.97Å
545E28.7Very low26.3Very low193 Ų193141.7 Ų141.790%0.90279%0.789SS**  trans-72.7130.7144.7-73.6-170.9139.800108.7
546R24.5Very low26.4Very low186 Ų186138.8 Ų138.870%0.70279%0.79SS**  trans-124.1132.9171.1-68.4-170.7-167.9171.85.2109.3Y544Y544-R546 HydrophobicContact CD1-CG 3.97Å
547N24.4Very low26.6Very low156 Ų156139.1 Ų139.183%0.83479%0.786SS**  trans61.697.1147.5-53.5-4.5000118
548S26.6Very low27Very low117 Ų117141.9 Ų141.982%0.81879%0.791SS**  trans-133.295.5141.8500000109.7S550S548-S550 PolarHBondContact O-N 3.06Å
549S28.1Very low27.1Very low107 Ų107136.7 Ų136.775%0.74878%0.777SS**  trans-77.2106.9172.847.90000110.4L551S549-L551 PolarHBondContact O-N 3.42Å
550S28Very low27.4Very low108 Ų108138 Ų13876%0.75579%0.786SS**  trans-9474.2166.547.50000110.9S548 N552S548-S550 PolarHBondContact O-N 3.06Å; S550-N552 PolarHBondContact O-N 3.16Å
551L27.5Very low27.4Very low134 Ų134139.4 Ų139.470%0.70279%0.788SS**  trans-76.562.2169.9-75.3169.2000111.1S549S549-L551 PolarHBondContact O-N 3.42Å
552N27Very low27.6Very low157 Ų157137.4 Ų137.484%0.8478%0.784SS**  trans-110.848.4175.7-82.13000111.5S550S550-N552 PolarHBondContact O-N 3.16Å
553S27.7Very low27.8Very low113 Ų113138.5 Ų138.579%0.7979%0.785SS**  trans-168.558.6168.4440000112.9
554L28.5Very low27.9Very low142 Ų142141.1 Ų141.174%0.74379%0.791SS**  trans-134.1150.7159-73.6173.1000108.1
555P33.4Very low28.1Very low95 Ų95138.6 Ų138.662%0.61779%0.789SS**  cis-126.7149.1-28.436.6-22.7000111.7E557P555-E557 PolarHBondContact O-N 3.05Å
556N28.5Very low28.2Very low169 Ų169139 Ų13990%0.90479%0.791SS**  trans-82.6107.6165-88.15.4000109.4I558N556-I558 PolarHBondContact O-N 3.12Å
557E31.1Very low28.3Very low180 Ų180134.3 Ų134.384%0.84179%0.786SS**  trans-71.6102.2178.2-63.5-179.114800111.6P555P555-E557 PolarHBondContact O-N 3.05Å
558I30.8Very low28.4Very low163 Ų163134.2 Ų134.284%0.83678%0.781SS**  trans-133.2110.4149.3-53.3176.6000103.1N556N556-I558 PolarHBondContact O-N 3.12Å
559G27.7Very low28.2Very low58 Ų58137.3 Ų137.360%0.59878%0.776SS**  cis105.1125.942.900000106.8
560S28.8Very low28.1Very low131 Ų131142.2 Ų142.292%0.91678%0.78SS**  trans74110.8-172.368.50000117.8
561L26.3Very low28.1Very low172 Ų172144.4 Ų144.490%0.90178%0.783SS**  trans-80.3168.2164.5-89161000110.5
562P28.4Very low28.3Very low113 Ų113144.3 Ų144.373%0.73478%0.783SS**  trans-84.2145.6-155.732.6-37.1000115.3L564P562-L564 PolarHBondContact O-N 2.99Å
563S30.9Very low28.4Very low126 Ų126144.6 Ų144.688%0.88179%0.785SS**  trans-73.9107.6163.844.10000110.9
564L27.2Very low28.5Very low152 Ų152147.4 Ų147.480%0.79679%0.785SS**  trans-78.6142.1168.4-160.980.9000109.4P562P562-L564 PolarHBondContact O-N 2.99Å
565I26.9Very low28.4Very low138 Ų138151.7 Ų151.771%0.70879%0.791SS**  trans64.897.7169.2-34.2-175.9000116.4
566Q28.9Very low28.1Very low201 Ų201154.8 Ų154.894%0.93980%0.801SS**  -131.1119.1123.7-80-164.1-27.900109.2
567S27.3Very low28Very low88 Ų88152.9 Ų152.962%0.61579%0.791SS**  trans-76.6169.7161.842.40000110.4
568E26.3Very low27.9Very low154 Ų154149.4 Ų149.472%0.7279%0.786SS**  trans86.2145.1151.9-91.3166.8-141.600120.7
569Y23.9Very low27.6Very low183 Ų183147.5 Ų147.572%0.71878%0.778SS**  trans63100.6174-61.2-73.1000120.4N571Y569-N571 PolarHBondContact O-N 3.2Å
570Y25.7Very low27.5Very low209 Ų209153 Ų15382%0.8279%0.787SS**  4.5107.9120.8-98.2-104.5000114.5
571N28.1Very low27.3Very low155 Ų155151.1 Ų151.183%0.82978%0.775SS**  trans-100.6109.7156.4-73.7-69.1000106.9Y569Y569-N571 PolarHBondContact O-N 3.2Å
572D30Very low27.5Very low131 Ų131149.7 Ų149.770%0.70177%0.768SS**  trans-65.9138.2170-78-46.2000110.3H574D572-H574 PolarHBondContact O-N 3.09Å
573D29.2Very low27.4Very low163 Ų163152.9 Ų152.987%0.87277%0.77SS**  trans-66.285.8-174.4-73.6-60.4000113.1
574H31.5Very low27.3Very low173 Ų173153.2 Ų153.280%0.80177%0.767SS**  trans-128.8120.5173.5-82-6.9000114.8D572D572-H574 PolarHBondContact O-N 3.09Å
575R25.8Very low27.3Very low232 Ų232152 Ų15288%0.87577%0.765SS**  trans79.984.9160.8-61.7-179.8174.1-176.4-3118.3
576I27.8Very low27.4Very low159 Ų159150 Ų15082%0.81577%0.769SS**  11.6112.6116.4-51.3173.2000114.1
577N26Very low27.1Very low129 Ų129147.4 Ų147.469%0.6976%0.762SS**  trans-125.188.5162.7-174.17.4000109.2
578S27.8Very low27.1Very low107 Ų107154.8 Ų154.875%0.74878%0.776SS**  trans-9687.8175.157.40000109.9
579N25.1Very low27.1Very low124 Ų124152.6 Ų152.666%0.66378%0.778SS**  trans-81.5141.1174.7-86.2-29.5000111.9
580H25Very low27.2Very low172 Ų172151.7 Ų151.780%0.79678%0.784SS**  trans51.3100.1166.6-76.9-55.9000117
581S24.5Very low27.3Very low93 Ų93150 Ų15065%0.6578%0.781SS**  65.998.776.681.40000113.7
582D30.8Very low27.5Very low142 Ų142149.9 Ų149.976%0.75978%0.78SS**  trans-136.3151147.2-117.2-36.4000111.4
583K26.6Very low27.3Very low180 Ų180150.1 Ų150.178%0.78378%0.782SS**  trans-52.1151.6-179.4-55.9121.7-176.2166.70110.2
584V29.1Very low27.3Very low132 Ų132153.4 Ų153.480%0.878%0.783SS**  -154.5142.959.7163.30000111.6A586V584-A586 PolarHBondContact O-N 2.9Å
585V26.8Very low26.9Very low126 Ų126151.1 Ų151.176%0.76479%0.787SS**  trans-72.9110.3172.4176.20000110.2
586A29.6Very low27.1Very low97 Ų97145.1 Ų145.180%0.80278%0.778SS**  trans-103.4102.1164.300000109.2V584 R588V584-A586 PolarHBondContact O-N 2.9Å; A586-R588 PolarHBondContact O-N 3.35Å
587N23.5Very low27.2Very low146 Ų146144.2 Ų144.278%0.78177%0.773SS**  trans-60.9125176.8-90.1-36.4000111.8
588R26.7Very low27.3Very low244 Ų244149.3 Ų149.392%0.92179%0.785SS**  trans-171.2133.3132.9-104.6157.3-164.6-115.82.2114.2A586A586-R588 PolarHBondContact O-N 3.35Å
589S25.8Very low27.4Very low107 Ų107153.9 Ų153.975%0.74879%0.787SS**  trans6297.9153.3-150.80000119.1
590I26.7Very low28Very low164 Ų164152.9 Ų152.984%0.84179%0.787SS**  trans-98.596.7165.7-60162.1000108.4
591F27.6Very low28Very low175 Ų175152 Ų15277%0.76879%0.788SS**  trans-165.5129.9162.2-80.3-70.8000104
592D31.8Very low28.2Very low151 Ų151153.4 Ų153.481%0.80779%0.789SS**  cis-134.5155.627.6-73.6-58.2000114.9
593N26.1Very low28.1Very low137 Ų137154.6 Ų154.673%0.73379%0.79SS**  trans-76.6157.4166.9-62.9-69.7000110.9
594Y28.2Very low28.4Very low231 Ų231152.3 Ų152.391%0.90679%0.791SS**  trans161.8103132.3-87.8-61.8000111.9
595S24.4Very low28.3Very low126 Ų126152.7 Ų152.788%0.88179%0.788SS**  trans-162.4112154.9-151.70000112
596P29.7Very low28.4Very low106 Ų106158.1 Ų158.169%0.68880%0.796SS**  trans-109.6125.7179.835.3-26.8000114.7
597I28.9Very low28.2Very low139 Ų139158.3 Ų158.371%0.71379%0.787SS**  trans48.5117.4132.1-48.7170.4000119Y599I597-Y599 HydrophobicContact CG2-CD2 4.16Å
598Y28.3Very low28.5Very low236 Ų236156.4 Ų156.493%0.92579%0.792SS**  trans-140.1138.1146.9-121-94.3000110.7
599Y29.3Very low28.5Very low203 Ų203155 Ų15580%0.79679%0.787SS**  trans-129-167.6-178.2-100.3-84.1000108.2I597I597-Y599 HydrophobicContact CG2-CD2 4.16Å
600P38.3Very low28.5Very low104 Ų104161.4 Ų161.468%0.67580%0.795SS**  -120.5167.3-88.732.7-12.6000115.2
601N25.7Very low28.5Very low152 Ų152160 Ų16081%0.81379%0.789SS**  trans-177.5160.4162-95.7-41.7000110
602N28.1Very low28.7Very low124 Ų124161.1 Ų161.166%0.66379%0.794SS**  cis-168.7163.3-35.9-143.5-47.3000110
603Q29.4Very low28.7Very low167 Ų167159.4 Ų159.478%0.7879%0.791SS**  trans63.4152.8167-58.9168.31800115.4
604T32.4Very low28.8Very low131 Ų131160.3 Ų160.380%0.80480%0.796SS**  cis-153.1160.96-10.30000110.4
605L27.1Very low28.9Very low141 Ų141156.9 Ų156.974%0.73879%0.793SS**  trans-78.4150.5178.8-6584.8000113.5
606Y28.3Very low29.1Very low240 Ų240162.4 Ų162.494%0.94180%0.795SS**  trans-140.1131.7139.7-113.2-84.9000110.7
607T26.5Very low29.1Very low100 Ų100162 Ų16261%0.61379%0.794SS**  trans-120.4124.6-171.1-37.20000109.7
608A28.8Very low28.9Very low107 Ų107165 Ų16588%0.88481%0.805SS**  trans-137.875.7174.100000110.8
609R26.9Very low28.9Very low214 Ų214159.1 Ų159.181%0.80880%0.795SS**  trans-82.7132.8168.7-70.1179.3174.2179-2.6109.7
610R25.6Very low28.7Very low241 Ų241154.7 Ų154.791%0.90979%0.794SS**  trans-134.292.2153.8-73.6-169-174.6177.13.7108.5
611N26.9Very low28.3Very low134 Ų134157.8 Ų157.872%0.71780%0.804SS**  trans-96.4134.8167.4-64.14000107.7
612F32.1Very low28.3Very low200 Ų200159.4 Ų159.488%0.87781%0.807SS**  trans-136.5149.2155.4-84.3-82.7000108.3
613P31.3Very low28.4Very low114 Ų114159.2 Ų159.274%0.7481%0.81SS**  trans-101.1170.5-147.90.122.1000115.2D615P613-D615 PolarHBondContact O-N 3.47Å
614D28.9Very low28.3Very low156 Ų156160.5 Ų160.583%0.83481%0.813SS**  trans-65.9101.9175.8-60.2-65.7000113.3R616D614-R616 PolarHBondContact O-N 3.3Å
615D30.9Very low28Very low160 Ų160164.7 Ų164.786%0.85682%0.816SS**  trans-81.7101.8166.2-102.9-33.3000111.1P613 S617P613-D615 PolarHBondContact O-N 3.47Å; D615-S617 PolarHBondContact O-N 2.86Å
616R27.4Very low28.1Very low242 Ų242162.9 Ų162.991%0.91382%0.815SS**  trans-80.292.3172.4-70.8179.7175177.8-1110.7D614D614-R616 PolarHBondContact O-N 3.3Å
617S29.6Very low28Very low96 Ų96161.5 Ų161.567%0.67181%0.81SS**  trans-134.3107.4162.864.50000111.6D615 P619D615-S617 PolarHBondContact O-N 2.86Å; S617-P619 VanDerWaalsContact O-CD 3.22Å; S617-P619 WeakPolarHBondContact O-CD 3.13Å
618H24.1Very low28.3Very low202 Ų202165.2 Ų165.294%0.93582%0.82SS**  trans-77.4126.2162-78-81.9000109.4
619P28.7Very low28.5Very low113 Ų113168.4 Ų168.473%0.73482%0.817SS**  trans-123.6144.2140.533.9-25.6000111.4S617S617-P619 VanDerWaalsContact O-CD 3.22Å; S617-P619 WeakPolarHBondContact O-CD 3.13Å
620S25.8Very low28.8Very low110 Ų110166 Ų16677%0.76982%0.819SS**  trans-67.9130.1-179.752.50000112.9
621L30.1Very low28.9Very low170 Ų170161 Ų16189%0.8981%0.811SS**  trans-130.9125.2149-78.8178.9000110.4
622Q25.4Very low29.2Very low186 Ų186160.6 Ų160.687%0.86982%0.815SS**  trans-74.5126.2173.1-62.7170-8.500109
623T30.3Very low29.2Very low120 Ų120158.6 Ų158.674%0.73681%0.809SS**  trans-131.6116.3157.6-23.30000109.5Y625T623-Y625 PolarHBondContact O-N 3Å
624K27.5Very low29.2Very low194 Ų194157.4 Ų157.484%0.84381%0.808SS**  trans-68.8116.3-178.4-65.1167.5177173.40109.9
625Y26.1Very low29.3Very low218 Ų218160 Ų16086%0.85581%0.813SS**  trans-108.488.7151.4-78.1-79.6000108.1T623T623-Y625 PolarHBondContact O-N 3Å
626S28.3Very low29.3Very low103 Ų103162.3 Ų162.372%0.7281%0.81SS**  trans-75.9123.9168.8-168.80000108.3
627Y26.6Very low29.4Very low211 Ų211156.5 Ų156.583%0.82781%0.806SS**  trans-52.9140.1163.3-89.1-115.4000109.8
628H32.5Very low29.3Very low178 Ų178160.3 Ų160.382%0.82481%0.811SS**  trans-133.7127.7147.1-104.7-74000107.9
629Q33.6Very low29.6Very low175 Ų175156.4 Ų156.482%0.81881%0.806SS**  trans-68.7137.1-175.9-71149.5-74.500111N631Q629-N631 PolarHBondContact O-N 3.07Å
630D32.5Very low29.6Very low162 Ų162157.3 Ų157.387%0.86681%0.809SS**  trans-59.2117.8160.4-69.9-57.5000109.1P632D630-P632 VanDerWaalsContact O-CD 3.29Å; D630-P632 WeakPolarHBondContact O-CD 3.48Å
631N28.9Very low29.9Very low136 Ų136156.6 Ų156.673%0.72781%0.805SS**  trans-105.494167.2-176.615.5000109Q629 E633Q629-N631 PolarHBondContact O-N 3.07Å; N631-E633 VanDerWaalsContact C-N 3.31Å; N631-E633 PolarHBondContact O-N 3.16Å
632P33.3Very low30.3Very low126 Ų126154.5 Ų154.582%0.81880%0.801SS**  trans-84.468.8-176.435.6-36.7000111.5D630D630-P632 VanDerWaalsContact O-CD 3.29Å; D630-P632 WeakPolarHBondContact O-CD 3.48Å
633E31.7Very low30.5Very low159 Ų159154.4 Ų154.474%0.74380%0.801SS**  trans-122.6128.8174-146.4174.9-154.200113.6N631N631-E633 VanDerWaalsContact C-N 3.31Å; N631-E633 PolarHBondContact O-N 3.16Å
634A30.7Very low30.7Very low88 Ų88156.3 Ų156.373%0.72781%0.805SS**  trans63.855.5156.800000121R636A634-R636 PolarHBondContact O-N 3Å
635F31.7Very low30.8Very low212 Ų212150.3 Ų150.393%0.9380%0.798SS**  trans-83.885.6152.9-81.2-74.8000112.2S637F635-S637 PolarHBondContact O-N 3.1Å
636R30.1Very low30.9Very low208 Ų208150.8 Ų150.879%0.78580%0.798SS**  trans-68.6110.1160.9-73-179.9176.1-91.50108.5A634 F638A634-R636 PolarHBondContact O-N 3Å; R636-F638 HydrophobicContact CB-CE2 4.47Å; R636-F638 HydrophobicContact CB-CZ 4.33Å; R636-F638 WeakPolarHBondContact O-CD2 3.26Å; R636-F638 WeakPolarHBondContact O-CE2 3.45Å; R636-F638 PolarHBondContact O-N 2.98Å
637S29.9Very low31.1Very low120 Ų120158 Ų15884%0.83981%0.809SS**  trans-75.4107.7179.845.90000111.7F635F635-S637 PolarHBondContact O-N 3.1Å
638F29Very low31.4Very low175 Ų175155.4 Ų155.477%0.76881%0.809SS**  trans-83.9129.1165.9-51.9-78.4000109.5R636 V640R636-F638 HydrophobicContact CB-CE2 4.47Å; R636-F638 HydrophobicContact CB-CZ 4.33Å; R636-F638 WeakPolarHBondContact O-CD2 3.26Å; R636-F638 WeakPolarHBondContact O-CE2 3.45Å; R636-F638 PolarHBondContact O-N 2.98Å; F638-V640 PolarHBondContact O-N 2.82Å
639S29.3Very low31.2Very low120 Ų120151.8 Ų151.884%0.83980%0.803SS**  trans-78100177.855.90000110.8S641S639-S641 PolarHBondContact O-N 3.21Å
640V28.7Very low31.2Very low132 Ų132152 Ų15280%0.880%0.804SS**  trans-82.7112.5170.4-175.40000108.6F638F638-V640 PolarHBondContact O-N 2.82Å
641S32.9Very low31Very low96 Ų96151.7 Ų151.767%0.67180%0.802SS**  trans-65145.6170.9-67.80000110S639 E643S639-S641 PolarHBondContact O-N 3.21Å; S641-E643 PolarHBondContact O-N 2.95Å
642P37Very low31Very low126 Ų126150.2 Ų150.282%0.81880%0.803SS**  trans-62.8105.4-179.8-20.832.7000110.8I644P642-I644 PolarHBondContact O-N 2.94Å
643E30.7Very low30.9Very low184 Ų184150.5 Ų150.586%0.8680%0.802SS**  trans-67.4122.9174-166.5160.2-15000108.3S641 G645S641-E643 PolarHBondContact O-N 2.95Å; E643-G645 PolarHBondContact O-N 2.83Å
644I33.9Very low30.6Very low159 Ų159150.7 Ų150.782%0.81581%0.805SS**  trans-7389-179.3-64.7167.4000106.6P642 R646P642-I644 PolarHBondContact O-N 2.94Å; I644-R646 PolarHBondContact O-N 3.01Å
645G30Very low30.6Very low68 Ų68154.3 Ų154.370%0.70181%0.811SS**  trans-52.5103.7-177.900000111.1E643 R647E643-G645 PolarHBondContact O-N 2.83Å; G645-R647 PolarHBondContact O-N 3.08Å
646R27.8Very low30.6Very low228 Ų228149.1 Ų149.186%0.8680%0.799SS**  trans-58.6131.6169.7-74.7178.8167.8-172.1-3.6107.7I644 I648I644-R646 PolarHBondContact O-N 3.01Å; R646-I648 PolarHBondContact O-N 3.03Å
647R33.1Very low30.3Very low254 Ų254144.6 Ų144.696%0.95880%0.799SS**  trans-65.8102.6165.3-61.1-178.5-172.8-138.21.2107.1G645G645-R647 PolarHBondContact O-N 3.08Å
648I32.6Very low30.3Very low158 Ų158150.7 Ų150.781%0.8180%0.803SS**  trans-82.5127163.23.1177.4000106.6R646R646-I648 PolarHBondContact O-N 3.03Å
649S28.2Very low30.1Very low101 Ų101146.9 Ų146.971%0.70680%0.798SS**  trans-81.4113.2177.748.90000109.5
650E33.3Very low30.2Very low181 Ų181152 Ų15285%0.84680%0.801SS**  trans-102.280161-72.1-174.8170.300108.4S652E650-S652 PolarHBondContact O-N 2.91Å
651D28.2Very low30Very low154 Ų154151.3 Ų151.382%0.82479%0.793SS**  trans-66113.6156.9-75.1-47.3000107.4
652S28.8Very low29.8Very low105 Ų105153.8 Ų153.873%0.73479%0.794SS**  trans-151.2139.2172.1-820000111.2E650E650-S652 PolarHBondContact O-N 2.91Å
653V32.1Very low29.5Very low132 Ų132153.9 Ų153.980%0.879%0.787SS**  trans78.577.5174.8-160.50000116.7
654M25.2Very low29.6Very low164 Ų164153.6 Ų153.681%0.80879%0.79SS**  47.4119.8124.5-56.4-1777900120.5
655L29.9Very low29.4Very low164 Ų164152.2 Ų152.286%0.85978%0.784SS**  -179.7162.6106.5-89.4166000109.4
656P32.6Very low29.2Very low103 Ų103157.2 Ų157.267%0.66979%0.791SS**  trans-116.4168-13343.2-38.2000116.8
657S24.2Very low29.3Very low112 Ų112153.7 Ų153.778%0.78379%0.788SS**  trans62.798.6147.6-60.30000119.2
658R29.9Very low29Very low248 Ų248145.1 Ų145.194%0.93678%0.779SS**  -146.7110.9128.4-109.1166-163.1-1541.6110.8
659S23.7Very low29Very low95 Ų95142.5 Ų142.566%0.66477%0.774SS**  trans-67.5134.8173.5175.30000110.6
660Y30.9Very low28.9Very low229 Ų229145.2 Ų145.290%0.89878%0.781SS**  trans-147.4129.2139.1-90.5-71.8000109.8
661N25.5Very low28.9Very low117 Ų117141.5 Ų141.563%0.62678%0.775SS**  trans-48.2165.1158.4-71.17.5000111.6
662E28.7Very low29Very low148 Ų148141.8 Ų141.869%0.69278%0.776SS**  cis-162.9166.418.7-130.1138.3-138.100109.1
663D30.3Very low29Very low127 Ų127144.1 Ų144.168%0.67978%0.78SS**  trans47.296.6147.3-59.4-15.3000122.1
664I34Very low28.8Very low178 Ų178148.6 Ų148.691%0.91378%0.782SS**  -130.6111.5129.2-60.1-175.1000109.5
665N28.5Very low29Very low131 Ų131148.3 Ų148.370%0.70178%0.783SS**  trans-72.9155.4-179.2-106.2-52.3000113.8
666M26.4Very low28.9Very low172 Ų172145.7 Ų145.785%0.84778%0.778SS**  trans-43.5135179.1-54.8-171-69.700116
667I29.8Very low28.6Very low155 Ų155146.5 Ų146.580%0.79579%0.785SS**  trans-131.6100.6146.5-59.8-177.8000108.8
668G26.4Very low28.8Very low74 Ų74146 Ų14676%0.76378%0.782SS**  trans-78132.7162.400000110
669S31.7Very low28.8Very low103 Ų103138.3 Ų138.372%0.7277%0.772SS**  trans-142.3112174.8-75.10000110.1S671S669-S671 PolarHBondContact O-N 2.97Å
670N28Very low29.1Very low157 Ų157139.9 Ų139.984%0.8478%0.78SS**  trans-64.3119.5-169.4-65.9-47.6000112.8N672N670-N672 PolarHBondContact O-N 2.81Å
671S32.1Very low29Very low104 Ų104134 Ų13473%0.72777%0.772SS**  trans-77.884.1173.758.20000111.4S669 L673S669-S671 PolarHBondContact O-N 2.97Å; S671-L673 PolarHBondContact O-N 2.87Å
672N31Very low29.4Very low159 Ų159134.3 Ų134.385%0.8578%0.78SS**  trans-70.894.5168.4-89.3-35.4000110.5N670 R674N670-N672 PolarHBondContact O-N 2.81Å; N672-R674 PolarHBondContact O-N 3.14Å
673L27.8Very low29.7Very low154 Ų154135.2 Ų135.281%0.80679%0.789SS**  trans-63.797.8176.4-72.7162.1000111.4S671S671-L673 PolarHBondContact O-N 2.87Å
674R28.2Very low29.9Very low227 Ų227138.8 Ų138.886%0.85780%0.798SS**  trans-98.296.7169.1-156.8173.3-167.1173.34.4110.1N672 C676N672-R674 PolarHBondContact O-N 3.14Å; R674-C676 PolarHBondContact O-N 2.96Å
675L29.3Very low29.7Very low158 Ų158140.8 Ų140.883%0.82780%0.795SS**  trans-6699.5174.2-77.2102.2000110.8S677L675-S677 PolarHBondContact O-N 2.81Å
676C28.1Very low30Very low109 Ų109143.7 Ų143.774%0.73680%0.801SS**  trans-8581.1166.7-72.20000110.2R674 S678R674-C676 PolarHBondContact O-N 2.96Å; C676-S678 VanDerWaalsContact C-N 3.33Å; C676-S678 PolarHBondContact O-N 3.49Å
677S27.1Very low30.5Very low119 Ų119141.1 Ų141.183%0.83280%0.797SS**  trans-78.177.1172.457.90000111.4L675L675-S677 PolarHBondContact O-N 2.81Å
678S27.8Very low30.5Very low102 Ų102143.4 Ų143.471%0.71380%0.797SS**  trans-100.5115.5164.249.40000109.8C676C676-S678 VanDerWaalsContact C-N 3.33Å; C676-S678 PolarHBondContact O-N 3.49Å
679A28.7Very low30.5Very low87 Ų87147.5 Ų147.572%0.71980%0.796SS**  trans-61136-179.700000110.6S681A679-S681 PolarHBondContact O-N 3.43Å
680P31.3Very low30.4Very low128 Ų128147.3 Ų147.383%0.83179%0.791SS**  trans-66.5106.3-178.5-17.529.8000110.9
681S29.1Very low30.4Very low106 Ų106144.4 Ų144.474%0.74178%0.783SS**  trans-55.4123.1169.3-69.80000109.3A679 L683A679-S681 PolarHBondContact O-N 3.43Å; S681-L683 PolarHBondContact O-N 3.28Å
682P33.7Very low30.5Very low123 Ų123147.5 Ų147.580%0.79978%0.784SS**  trans-63.8109.1-175.423.2-32.5000110.1K684P682-K684 PolarHBondContact O-N 3Å
683L34.8Very low30.5Very low167 Ų167147.6 Ų147.687%0.87478%0.784SS**  trans-51.4108.4176.5-84.5154.6000109.6S681 R685S681-L683 PolarHBondContact O-N 3.28Å; L683-R685 VanDerWaalsContact C-N 3.31Å; L683-R685 PolarHBondContact O-N 2.89Å
684K34.8Very low31Very low201 Ų201146.4 Ų146.487%0.87478%0.778SS**  trans-60.393.3172.5-72.9-178.6178.7176.20108.6P682 K686P682-K684 PolarHBondContact O-N 3Å; K684-K686 PolarHBondContact O-N 3.14Å; K684-K686 VanDerWaalsContact O-N 3.09Å
685R28.9Very low31.5Very low221 Ų221142 Ų14283%0.83477%0.771SS**PPolyproline II helixtrans-54.6116.7173.4-70.3-178.2174.4177.7-3.1107.8L683L683-R685 VanDerWaalsContact C-N 3.31Å; L683-R685 PolarHBondContact O-N 2.89Å
686K34.8Very low32Very low191 Ų191146.1 Ų146.183%0.8378%0.776SS**PPolyproline II helixtrans-57.6135.9173.2-71.1-175.2177.5-178.80108.1K684 Y688K684-K686 PolarHBondContact O-N 3.14Å; K684-K686 VanDerWaalsContact O-N 3.09Å; K686-Y688 PolarHBondContact O-N 3.31Å
687P36.7Very low32.3Very low119 Ų119146.9 Ų146.977%0.77377%0.773SS**PPolyproline II helixtrans-60.4137.517925.2-33.5000109.9Q689P687-Q689 PolarHBondContact O-N 2.89Å
688Y31.2Very low32.4Very low202 Ų202145.5 Ų145.579%0.79276%0.759SS**  trans-57.2111.7-178-65.1-86.7000110.9K686 V690K686-Y688 PolarHBondContact O-N 3.31Å; Y688-V690 PolarHBondContact O-N 2.86Å; Y688-V690 VanDerWaalsContact O-N 3.11Å
689Q26.1Very low32.6Very low160 Ų160149.4 Ų149.475%0.74876%0.759SS**  trans-79.991.4174.9-170.5170.25.900108.4P687 S691P687-Q689 PolarHBondContact O-N 2.89Å; Q689-S691 PolarHBondContact O-N 3.21Å; Q689-S691 VanDerWaalsContact O-N 3.11Å
690V28Very low32.7Very low100 Ų100151 Ų15161%0.60675%0.754SS**  trans-74.399.7175.3-178.30000108.5Y688 F692Y688-V690 PolarHBondContact O-N 2.86Å; Y688-V690 VanDerWaalsContact O-N 3.11Å; V690-F692 HydrophobicContact CB-CZ 4.39Å; V690-F692 HydrophobicContact CG1-CD1 4.13Å; V690-F692 HydrophobicContact CG1-CE1 3.62Å; V690-F692 HydrophobicContact CG1-CE2 4.47Å; V690-F692 HydrophobicContact CG1-CZ 3.82Å
691S28.5Very low32.5Very low96 Ų96153 Ų15367%0.67175%0.753SS**  trans-81.8110.6170.552.90000110Q689 N693Q689-S691 PolarHBondContact O-N 3.21Å; Q689-S691 VanDerWaalsContact O-N 3.11Å; S691-N693 PolarHBondContact O-N 3.19Å
692F34.4Very low32.5Very low169 Ų169156.9 Ų156.974%0.74175%0.753SS**  trans-78.5105.3169.1-46.8-79.5000108.6V690 L694V690-F692 HydrophobicContact CB-CZ 4.39Å; V690-F692 HydrophobicContact CG1-CD1 4.13Å; V690-F692 HydrophobicContact CG1-CE1 3.62Å; V690-F692 HydrophobicContact CG1-CE2 4.47Å; V690-F692 HydrophobicContact CG1-CZ 3.82Å; F692-L694 PolarHBondContact O-N 2.72Å
693N32.1Very low32.4Very low161 Ų161157 Ų15786%0.86175%0.753SS**  trans-72.683.4163.4-80.9-8000108S691 D695S691-N693 PolarHBondContact O-N 3.19Å; N693-D695 PolarHBondContact O-N 3.39Å
694L37.5Very low32.1Very low129 Ų129159.3 Ų159.368%0.67575%0.752SS**  trans-69.5114.6161.4-71.6170.6000107.1F692 R696F692-L694 PolarHBondContact O-N 2.72Å; L694-R696 PolarHBondContact O-N 3.48Å
695D38.2Very low31.9Very low133 Ų133154.3 Ų154.371%0.71174%0.742SS**  trans-55.2137.9170.7-107.4-37.5000109.5N693 N697 T698N693-D695 PolarHBondContact O-N 3.39Å; D695-N697 PolarHBondContact O-N 3.38Å; D695-T698 PolarHBondContact O-N 3.07Å; D695-T698 PolarHBondContact O-OG1 2.75Å
696R40.1Very low32Very low245 Ų245153.5 Ų153.593%0.92575%0.748SS**THydrogen-bonded Turntrans-63.5-5.2-168.4-64.3-175.5-176.8-1751.9114.6L694L694-R696 PolarHBondContact O-N 3.48Å
697N33.8Very low31.6Very low126 Ų126147.9 Ų147.967%0.67473%0.733SS**THydrogen-bonded Turntrans-108.84.7-177.6-57.5-16.4000112.7D695 Y699D695-N697 PolarHBondContact O-N 3.38Å; N697-Y699 WeakPolarHBondContact O-CD2 3.32Å; N697-Y699 VanDerWaalsContact O-CE2 3.27Å; N697-Y699 WeakPolarHBondContact O-CE2 3.16Å; N697-Y699 PolarHBondContact O-N 3.01Å
698T30.9Very low31.3Very low89 Ų89148.6 Ų148.655%0.54674%0.741SS.*  trans-8298.7176.8-50.30000110.2D695D695-T698 PolarHBondContact O-N 3.07Å; D695-T698 PolarHBondContact O-OG1 2.75Å
699Y30.6Very low31.2Very low184 Ų184143.6 Ų143.672%0.72273%0.731SS**  trans-77.6136.7174.8-58.6-86.2000110.7N697N697-Y699 WeakPolarHBondContact O-CD2 3.32Å; N697-Y699 VanDerWaalsContact O-CE2 3.27Å; N697-Y699 WeakPolarHBondContact O-CE2 3.16Å; N697-Y699 PolarHBondContact O-N 3.01Å
700I32Very low31.3Very low120 Ų120142 Ų14262%0.61574%0.738SS**  trans-103.7101168.7-60.3173.8000106.6Y702I700-Y702 HydrophobicContact CG2-CE2 4.24Å; I700-Y702 PolarHBondContact O-N 2.79Å
701E27Very low31.3Very low172 Ų172144.7 Ų144.780%0.80475%0.748SS**PPolyproline II helixtrans-71.5124.1168.4-77.2-175.9145.400109.3
702Y29Very low31.4Very low186 Ų186145.4 Ų145.473%0.72975%0.748SS**PPolyproline II helixtrans-84.6134.7170.1-75.1-93.8000108.7I700 Y704I700-Y702 HydrophobicContact CG2-CE2 4.24Å; I700-Y702 PolarHBondContact O-N 2.79Å; Y702-Y704 PolarHBondContact O-N 2.81Å
703P30.8Very low31Very low125 Ų125145.9 Ų145.981%0.81275%0.753SS**PPolyproline II helixtrans-60.8128.6176.724.7-32.8000110.1S705P703-S705 PolarHBondContact O-N 3.12Å
704Y29.3Very low30.8Very low216 Ų216144 Ų14485%0.84775%0.75SS**PPolyproline II helixtrans-58.5128.9-173.3-79-105.2000112.2Y702Y702-Y704 PolarHBondContact O-N 2.81Å
705S30.4Very low30.6Very low96 Ų96146.8 Ų146.867%0.67176%0.757SS**PPolyproline II helixtrans-81.8131.2154.957.20000109.1P703 S707P703-S705 PolarHBondContact O-N 3.12Å; S705-S707 VanDerWaalsContact C-N 3.34Å; S705-S707 PolarHBondContact O-N 3.16Å
706E29.8Very low29.9Very low204 Ų204151.3 Ų151.395%0.95376%0.764SS**  trans-6587.3176.5-63.6172.4154.400111.2
707S28Very low29.3Very low74 Ų74145.5 Ų145.552%0.51776%0.756SS.*  trans-131.1120.616760.40000109.4S705 T709S705-S707 VanDerWaalsContact C-N 3.34Å; S705-S707 PolarHBondContact O-N 3.16Å; S707-T709 PolarHBondContact O-N 3.14Å
708S28.9Very low29.3Very low134 Ų134143.9 Ų143.994%0.93775%0.752SS**  trans-76.649.6-168.846.10000114.4
709T28.8Very low29.1Very low97 Ų97142.9 Ų142.960%0.59576%0.76SS**  trans-126.396.7179.5470000111.1S707 L711S707-T709 PolarHBondContact O-N 3.14Å; T709-L711 PolarHBondContact O-N 2.76Å
710S29.3Very low29Very low127 Ų127144 Ų14489%0.88876%0.764SS**  trans-71.524.4-173.551.70000115.8
711L28.5Very low28.9Very low155 Ų155146.2 Ų146.281%0.81278%0.775SS**  trans-127.140.6-175.3-76.4172.4000113.4T709 Q713T709-L711 PolarHBondContact O-N 2.76Å; L711-Q713 VanDerWaalsContact C-N 3.29Å; L711-Q713 PolarHBondContact O-N 3.24Å
712V29.8Very low28.9Very low112 Ų112141.2 Ų141.268%0.67976%0.759SS**  trans-78.582.4165.8-172.40000109.3C714V712-C714 PolarHBondContact O-N 2.95Å
713Q26.9Very low29Very low179 Ų179137.7 Ų137.784%0.83676%0.762SS**  trans-57.6109.2165.5-84.7-172.9-1900109.1L711 K715L711-Q713 VanDerWaalsContact C-N 3.29Å; L711-Q713 PolarHBondContact O-N 3.24Å; Q713-K715 VanDerWaalsContact C-N 3.33Å; Q713-K715 PolarHBondContact O-N 3.1Å
714C27.6Very low29Very low120 Ų120135.4 Ų135.481%0.81175%0.749SS**  trans-65.690.1176.3-70.30000110.2V712 R716V712-C714 PolarHBondContact O-N 2.95Å; C714-R716 PolarHBondContact O-N 3.14Å; C714-R716 VanDerWaalsContact O-N 3.1Å
715K31.9Very low28.9Very low189 Ų189129.2 Ų129.282%0.82275%0.751SS**  trans-71.8105.7-175.7-160.7174.4-172.1177.90109.6Q713 V717Q713-K715 VanDerWaalsContact C-N 3.33Å; Q713-K715 PolarHBondContact O-N 3.1Å; K715-V717 PolarHBondContact O-N 3.07Å
716R24.5Very low28.7Very low227 Ų227128.1 Ų128.186%0.85775%0.748SS**  trans-54.9110.2170.8-79.8-177.2173.8175.2-1.3109.5C714C714-R716 PolarHBondContact O-N 3.14Å; C714-R716 VanDerWaalsContact O-N 3.1Å
717V28.3Very low28.8Very low123 Ų123124.3 Ų124.375%0.74574%0.739SS**  trans-99112.7163.4-179.40000107.1K715 G719K715-V717 PolarHBondContact O-N 3.07Å; V717-G719 PolarHBondContact O-N 2.96Å
718P33.5Very low29.1Very low92 Ų92126.6 Ų126.660%0.59775%0.751SS**  trans-64102.9171.9-20.833.9000109.4Y720P718-Y720 HydrophobicContact CB-CD2 4Å; P718-Y720 HydrophobicContact CB-CE2 3.7Å; P718-Y720 PolarHBondContact O-N 3.38Å
719G26.3Very low29.1Very low68 Ų68123 Ų12370%0.70174%0.736SS**  trans-70.375176.900000111.8V717 I721V717-G719 PolarHBondContact O-N 2.96Å; G719-I721 VanDerWaalsContact C-N 3.3Å; G719-I721 PolarHBondContact O-N 3.29Å
720Y28.2Very low29Very low209 Ų209127.3 Ų127.382%0.8275%0.75SS**  trans-71.388.8165.6-69.3-76.8000108.9P718 S722P718-Y720 HydrophobicContact CB-CD2 4Å; P718-Y720 HydrophobicContact CB-CE2 3.7Å; P718-Y720 PolarHBondContact O-N 3.38Å; Y720-S722 PolarHBondContact O-N 3.28Å
721I30Very low28.9Very low165 Ų165126.9 Ų126.985%0.84674%0.741SS**  trans-73.179.8166.1-49.6176.9000107.3G719 S723G719-I721 VanDerWaalsContact C-N 3.3Å; G719-I721 PolarHBondContact O-N 3.29Å; I721-S723 PolarHBondContact O-N 3.5Å
722S27.3Very low28.8Very low67 Ų67126.4 Ų126.447%0.46974%0.74SS.*  trans-55.4126.8169169.20000109.2Y720 S724Y720-S722 PolarHBondContact O-N 3.28Å; S722-S724 PolarHBondContact O-N 3.33Å; S722-S724 VanDerWaalsContact O-O 3.13Å; S722-S724 PolarHBondContact OG-N 2.95Å; S722-S724 PolarHBondContact OG-O 2.92Å; S722-S724 PolarHBondContact OG-OG 2.78Å
723S31.2Very low28.8Very low113 Ų113125.8 Ų125.879%0.7974%0.736SS**SBendtrans-72.2-10.6177.355.10000113.4I721I721-S723 PolarHBondContact O-N 3.5Å
724S30.6Very low28.7Very low76 Ų76124.2 Ų124.253%0.53173%0.733SS.*SBendtrans-87.7130.8159.3550000109S722 A726S722-S724 PolarHBondContact O-N 3.33Å; S722-S724 VanDerWaalsContact O-O 3.13Å; S722-S724 PolarHBondContact OG-N 2.95Å; S722-S724 PolarHBondContact OG-O 2.92Å; S722-S724 PolarHBondContact OG-OG 2.78Å; S724-A726 PolarHBondContact O-N 2.83Å
725G27.5Very low28.7Very low86 Ų86126.6 Ų126.689%0.88773%0.73SS**  trans-71.649.8-178.900000114.1T727G725-T727 PolarHBondContact O-N 2.83Å
726A26.3Very low28.5Very low74 Ų74126.8 Ų126.861%0.61273%0.731SS**PPolyproline II helixtrans-68.5117.4168.200000108.5S724S724-A726 PolarHBondContact O-N 2.83Å
727T31.1Very low28.7Very low124 Ų124121.6 Ų121.676%0.76173%0.725SS**PPolyproline II helixtrans-50.5138.6167.9-23.20000108.8G725 G729G725-T727 PolarHBondContact O-N 2.83Å; T727-G729 PolarHBondContact O-N 2.86Å
728P33.8Very low28.6Very low121 Ų121119.4 Ų119.479%0.78672%0.715SS**PPolyproline II helixtrans-52.2120.2176.1-25.934.7000109.3E730P728-E730 PolarHBondContact O-N 3.45Å
729G29Very low28.5Very low60 Ų60121.3 Ų121.362%0.61973%0.727SS**PPolyproline II helixtrans-57.2134.6-172.100000110.7T727 T731T727-G729 PolarHBondContact O-N 2.86Å; G729-T731 PolarHBondContact O-N 3.09Å
730E27.7Very low28.7Very low187 Ų187126.6 Ų126.687%0.87473%0.731SS**  trans-66.172.9168.2-66.4177.6168.200109.1P728 N732P728-E730 PolarHBondContact O-N 3.45Å; E730-N732 PolarHBondContact O-N 3.26Å
731T27Very low28.7Very low117 Ų117126.7 Ų126.772%0.71873%0.732SS**  trans-67.394.3164.8540000106.3G729 V733G729-T731 PolarHBondContact O-N 3.09Å; T731-V733 WeakPolarHBondContact O-CG2 3.23Å; T731-V733 PolarHBondContact O-N 2.72Å
732N26.6Very low28.8Very low146 Ų146124.4 Ų124.478%0.78173%0.727SS**  trans-55.893.9162.9-86.8-34.7000107.4E730 N734E730-N732 PolarHBondContact O-N 3.26Å; N732-N734 PolarHBondContact O-N 3.14Å
733V29.8Very low29Very low98 Ų98130.1 Ų130.159%0.59474%0.744SS**  trans-69.988.9173.6-176.50000105.6T731 F735T731-V733 WeakPolarHBondContact O-CG2 3.23Å; T731-V733 PolarHBondContact O-N 2.72Å; V733-F735 VanDerWaalsContact C-N 3.33Å; V733-F735 VanDerWaalsContact O-CD2 3.23Å; V733-F735 WeakPolarHBondContact O-CD2 3.49Å; V733-F735 PolarHBondContact O-N 3.5Å
734N25.4Very low28.7Very low146 Ų146129.6 Ų129.678%0.78174%0.741SS**  trans-58100.5172.6-99.5-31.4000107.8N732 K736N732-N734 PolarHBondContact O-N 3.14Å; N734-K736 PolarHBondContact O-N 3.44Å
735F27.3Very low28.5Very low170 Ų170136.8 Ų136.875%0.74676%0.756SS**  trans-65.983172.5-74.8-84.2000108.6V733 T737V733-F735 VanDerWaalsContact C-N 3.33Å; V733-F735 VanDerWaalsContact O-CD2 3.23Å; V733-F735 WeakPolarHBondContact O-CD2 3.49Å; V733-F735 PolarHBondContact O-N 3.5Å; F735-T737 HydrophobicContact CB-CG2 4.39Å; F735-T737 PolarHBondContact O-N 2.76Å
736K27Very low28.5Very low194 Ų194138 Ų13884%0.84375%0.751SS**  trans-70.574158.9-76-168.6175.9-175.70108.2N734 S738N734-K736 PolarHBondContact O-N 3.44Å; K736-S738 PolarHBondContact O-N 2.81Å
737T28.5Very low28.7Very low117 Ų117139.5 Ų139.572%0.71875%0.749SS**  trans-70.165164.542.80000109.2F735 P739F735-T737 HydrophobicContact CB-CG2 4.39Å; F735-T737 PolarHBondContact O-N 2.76Å; T737-P739 VanDerWaalsContact O-CD 3.29Å; T737-P739 WeakPolarHBondContact O-CD 3.35Å
738S26.7Very low29.1Very low78 Ų78143.1 Ų143.155%0.54576%0.757SS.*  trans-63.8120.7159.360.80000106.9K736 K740K736-S738 PolarHBondContact O-N 2.81Å; S738-K740 PolarHBondContact O-N 2.73Å
739P30.4Very low29.2Very low132 Ų132144.4 Ų144.486%0.85776%0.757SS**  trans-71.481.2178.929.5-34.4000109.7T737 Y741T737-P739 VanDerWaalsContact O-CD 3.29Å; T737-P739 WeakPolarHBondContact O-CD 3.35Å; P739-Y741 VanDerWaalsContact C-N 3.32Å; P739-Y741 PolarHBondContact O-N 3.49Å
740K31.4Very low29.2Very low179 Ų179144.5 Ų144.578%0.77876%0.759SS**  trans-76.988171.4-86-169.5172.6-174.80109.1S738S738-K740 PolarHBondContact O-N 2.73Å
741Y27.6Very low29.3Very low211 Ų211140.5 Ų140.583%0.82775%0.747SS**  trans59.8123.5166-67.5-90.2000116.4P739 F743P739-Y741 VanDerWaalsContact C-N 3.32Å; P739-Y741 PolarHBondContact O-N 3.49Å; Y741-F743 PolarHBondContact O-N 3.23Å
742P32.5Very low29.4Very low117 Ų117140.8 Ų140.876%0.7675%0.748SS**  trans-61.9126.9169.127.4-32.6000109.2S744P742-S744 PolarHBondContact O-N 3.28Å
743F31.9Very low29.6Very low186 Ų186139.9 Ų139.982%0.81675%0.748SS**  trans-72.5100.3179.9-164-91.6000109.2Y741 W745Y741-F743 PolarHBondContact O-N 3.23Å; F743-W745 PolarHBondContact O-N 3.03Å
744S25.1Very low29.6Very low103 Ų103142 Ų14272%0.7276%0.755SS**  trans-75.9116-176.7-55.10000111.1P742 S746P742-S744 PolarHBondContact O-N 3.28Å; S744-S746 PolarHBondContact O-N 3.06Å
745W27Very low29.7Very low226 Ų226138.5 Ų138.586%0.85675%0.754SS**  trans-76.6111.2163.6-80.266.4000108.9F743F743-W745 PolarHBondContact O-N 3.03Å
746S25.6Very low29.9Very low113 Ų113138.9 Ų138.979%0.7976%0.755SS**  trans-89.895.6167.153.90000109.2S744S744-S746 PolarHBondContact O-N 3.06Å
747N31.6Very low30Very low104 Ų104134.6 Ų134.656%0.55676%0.755SS**  trans-69.9141159.347.1-12.5000109.2N749 G750N747-N749 PolarHBondContact O-N 2.81Å; N747-G750 PolarHBondContact O-N 2.97Å
748E39.8Very low29.9Very low200 Ų200135.1 Ų135.194%0.93576%0.758SS**THydrogen-bonded Turntrans-60.9-17.2-162.8-64.5-178.2141.600114.9
749N34.4Very low30.1Very low148 Ų148139 Ų13979%0.79177%0.773SS**THydrogen-bonded Turntrans-88.87.9179.5-65.3-7.5000114.4N747 V751N747-N749 PolarHBondContact O-N 2.81Å; N749-V751 VanDerWaalsContact C-N 3.26Å; N749-V751 PolarHBondContact O-N 3.33Å
750G29.2Very low29.9Very low63 Ų63135.6 Ų135.665%0.64976%0.762SS**  trans703.2161.800000117.8N747 T752N747-G750 PolarHBondContact O-N 2.97Å; G750-T752 PolarHBondContact O-N 3.25Å
751V30.6Very low29.7Very low103 Ų103137.6 Ų137.662%0.62477%0.766SS**  trans-89.4101.7178.5-178.20000110.5N749 T753N749-V751 VanDerWaalsContact C-N 3.26Å; N749-V751 PolarHBondContact O-N 3.33Å; V751-T753 PolarHBondContact O-N 3.28Å
752T29.8Very low29.7Very low122 Ų122135.3 Ų135.375%0.74877%0.768SS**  trans-74.190.2177.2520000112G750 I754G750-T752 PolarHBondContact O-N 3.25Å; T752-I754 PolarHBondContact O-N 3.48Å; T752-I754 VanDerWaalsContact O-N 3.12Å
753T29.6Very low29.5Very low127 Ų127136.9 Ų136.978%0.77977%0.77SS**  trans-75.598.6169.8-52.90000110.1V751 G755V751-T753 PolarHBondContact O-N 3.28Å; T753-G755 PolarHBondContact O-N 3.33Å
754I31.1Very low29.4Very low143 Ų143136 Ų13673%0.73377%0.769SS**  trans-70.896173.4-58.4174.5000108.7T752 K756T752-I754 PolarHBondContact O-N 3.48Å; T752-I754 VanDerWaalsContact O-N 3.12Å; I754-K756 HydrophobicContact CG2-CG 4.49Å; I754-K756 PolarHBondContact O-N 3.06Å
755G25.7Very low29.5Very low73 Ų73141.3 Ų141.375%0.75377%0.774SS**  trans-6689.4171.600000111.4T753T753-G755 PolarHBondContact O-N 3.33Å
756K31.6Very low29.6Very low178 Ų178135.9 Ų135.977%0.77477%0.771SS**  trans-69.6133.4164.8-76.7-174.5176.7178.80109I754 V758I754-K756 HydrophobicContact CG2-CG 4.49Å; I754-K756 PolarHBondContact O-N 3.06Å; K756-V758 PolarHBondContact O-N 2.79Å; K756-V758 VanDerWaalsContact O-N 3.09Å
757A29Very low29.8Very low103 Ų103140 Ų14085%0.85178%0.775SS**  trans-66.9107.1171.800000109.6N759A757-N759 PolarHBondContact O-N 2.89Å
758V28.1Very low29.7Very low128 Ų128143.5 Ų143.578%0.77679%0.788SS**  trans-8695.4174.7-178.20000108.3K756K756-V758 PolarHBondContact O-N 2.79Å; K756-V758 VanDerWaalsContact O-N 3.09Å
759N30Very low29.3Very low160 Ų160139.9 Ų139.986%0.85677%0.774SS**  trans-64.7132.4155.3-81.6-16.7000107.5A757A757-N759 PolarHBondContact O-N 2.89Å
760G25.5Very low29Very low61 Ų61140.4 Ų140.463%0.62978%0.776SS**  trans-65.4143.4-158.700000115.3
761Y29Very low29Very low220 Ų220146.6 Ų146.686%0.86378%0.781SS**  trans-150.6124136.1-96.3-74000107.1N763Y761-N763 PolarHBondContact O-N 2.84Å; Y761-N763 VanDerWaalsContact O-N 3.14Å
762D27.4Very low29.1Very low163 Ų163147 Ų14787%0.87279%0.787SS**  trans-68.3107.2170.5-61-56.8000108.2
763N28.7Very low29.4Very low151 Ų151147.5 Ų147.581%0.80779%0.792SS**  trans-125.5105.1168.8-102.1-22.7000108.7Y761Y761-N763 PolarHBondContact O-N 2.84Å; Y761-N763 VanDerWaalsContact O-N 3.14Å
764E28.3Very low29.5Very low167 Ų167146.2 Ų146.278%0.7879%0.788SS**  trans-63.3150.2179.6-56.2-17914100111.8
765Y27.8Very low29.6Very low214 Ų214147.4 Ų147.484%0.83980%0.795SS**  trans43.985.4162.6-58.6-69.7000118.8
766S28.9Very low29.9Very low112 Ų112154.1 Ų154.178%0.78380%0.799SS**  trans-125.597.2145.635.30000110.7Q768S766-Q768 VanDerWaalsContact C-N 3.28Å; S766-Q768 PolarHBondContact O-N 3.31Å
767K29.6Very low29.8Very low199 Ų199151.7 Ų151.787%0.86580%0.799SS**  trans-67.284169.4-76-178.2176.6177.20109.3I769K767-I769 PolarHBondContact O-N 3.04Å
768Q28.9Very low30Very low178 Ų178152.3 Ų152.383%0.83280%0.797SS**  trans-79.4104.9174.6-157.9166.930.500109.6S766 N770S766-Q768 VanDerWaalsContact C-N 3.28Å; S766-Q768 PolarHBondContact O-N 3.31Å; Q768-N770 PolarHBondContact O-N 3.05Å
769I31.6Very low30Very low125 Ų125156.6 Ų156.664%0.64180%0.8SS**  trans-67.3118.8177.9-65.2168.7000108.4K767 Y771K767-I769 PolarHBondContact O-N 3.04Å; I769-Y771 HydrophobicContact CG2-CE2 4.37Å; I769-Y771 PolarHBondContact O-N 2.76Å; I769-Y771 VanDerWaalsContact O-N 3.14Å
770N29.6Very low30.2Very low158 Ų158154.7 Ų154.785%0.84580%0.796SS**  trans-71.5103.6174.7-79.1-35.9000110Q768Q768-N770 PolarHBondContact O-N 3.05Å
771Y28.4Very low30.6Very low193 Ų193159.6 Ų159.676%0.75781%0.806SS**  trans-75.6130.3162.9-70.1-83.5000109.4I769I769-Y771 HydrophobicContact CG2-CE2 4.37Å; I769-Y771 PolarHBondContact O-N 2.76Å; I769-Y771 VanDerWaalsContact O-N 3.14Å
772P33.5Very low30.7Very low113 Ų113159.7 Ų159.773%0.73481%0.805SS**  trans-66.7130.617626.9-32.9000109.9S774P772-S774 PolarHBondContact O-N 3Å
773P35.5Very low31Very low132 Ų132157.5 Ų157.586%0.85780%0.799SS**  trans-68.7105.2177.8-1629.6000110.4
774S32.1Very low31.3Very low99 Ų99160.1 Ų160.169%0.69280%0.804SS**  trans-70.4134.7172.454.20000110.8P772 Y776P772-S774 PolarHBondContact O-N 3Å; S774-Y776 PolarHBondContact O-N 3.45Å
775L32.5Very low31.4Very low168 Ų168162.5 Ų162.588%0.8881%0.807SS**  trans-44.1101.3178.8-65.8155.5000113.6
776Y31.8Very low31.6Very low215 Ų215159.7 Ų159.784%0.84381%0.806SS**  trans-133.2103.2159.6-93-81.8000110.8S774 S778S774-Y776 PolarHBondContact O-N 3.45Å; Y776-S778 PolarHBondContact O-N 3.06Å
777T30.3Very low31.7Very low127 Ų127165.3 Ų165.378%0.77981%0.81SS**  trans-75.897.1174.650.70000110.3W779T777-W779 PolarHBondContact O-N 3.13Å
778S31.9Very low31.9Very low116 Ų116166.3 Ų166.381%0.81181%0.81SS**PPolyproline II helixtrans-74.6118.5167.949.30000110.1Y776Y776-S778 PolarHBondContact O-N 3.06Å
779W28.3Very low32.2Very low218 Ų218163.6 Ų163.683%0.82681%0.811SS**PPolyproline II helixtrans-65.2142.7176.5-90.628.2000111.5T777 I781T777-W779 PolarHBondContact O-N 3.13Å; W779-I781 PolarHBondContact O-N 2.88Å
780P35Very low32.3Very low119 Ų119162.7 Ų162.777%0.77382%0.816SS**PPolyproline II helixtrans-66.9125.3179.526.6-33.5000111.5R782P780-R782 PolarHBondContact O-N 2.83Å
781I34.2Very low32.5Very low164 Ų164161 Ų16184%0.84181%0.813SS**PPolyproline II helixtrans-63.6120.7177.9-63169.9000109.1W779 P783W779-I781 PolarHBondContact O-N 2.88Å; I781-P783 WeakPolarHBondContact O-CD 3.26Å
782R30.8Very low32.8Very low222 Ų222157.4 Ų157.484%0.83881%0.814SS**PPolyproline II helixtrans-68.7121.3179.2-65.1-176.9-178.8-171.20.6110.6P780 K784P780-R782 PolarHBondContact O-N 2.83Å; R782-K784 PolarHBondContact O-N 3.11Å
783P34Very low32.7Very low117 Ų117157.8 Ų157.876%0.7682%0.816SS**PPolyproline II helixtrans-64.8130.6170.4-18.732.6000110.2I781 Y785I781-P783 WeakPolarHBondContact O-CD 3.26Å; P783-Y785 PolarHBondContact O-N 2.88Å
784K33.9Very low32.4Very low207 Ų207160.8 Ų160.890%0.982%0.819SS**PPolyproline II helixtrans-72.5125.5175-79.8-177.8175.7177.60110.2R782 N786R782-K784 PolarHBondContact O-N 3.11Å; K784-N786 PolarHBondContact O-N 2.97Å
785Y30.3Very low32.5Very low216 Ų216164.2 Ų164.285%0.84782%0.824SS**PPolyproline II helixtrans-55.5120.9171.2-62-95.6000111.5P783P783-Y785 PolarHBondContact O-N 2.88Å
786N33.4Very low32.4Very low155 Ų155161.7 Ų161.783%0.82982%0.815SS**PPolyproline II helixtrans-103.8121.3154.9-92-14.7000108.6K784K784-N786 PolarHBondContact O-N 2.97Å
787R30Very low32.3Very low230 Ų230158.4 Ų158.487%0.86881%0.812SS**  trans-83.1114.7-175.7-56.2174.8-171.9174.71.5109.3
788Y34.8Very low32.2Very low221 Ų221158.1 Ų158.187%0.86781%0.806SS**  trans-129.5102152.5-79-74.3000108
789S33.4Very low32Very low120 Ų120160 Ų16084%0.83980%0.801SS**PPolyproline II helixtrans-74.9133.2-17843.50000111.2
790S34.9Very low32.2Very low107 Ų107157.6 Ų157.675%0.74880%0.804SS**PPolyproline II helixtrans-77.2145.3-178.1-440000112.4
791P33.1Very low31.8Very low122 Ų122155.2 Ų155.279%0.79280%0.802SS**PPolyproline II helixtrans-70.6134.3174.728.4-33.4000111.5
792P35.2Very low31.7Very low118 Ų118154.8 Ų154.877%0.76680%0.801SS**PPolyproline II helixtrans-78.4166.1-17931-34.6000113.9
793P32.3Very low31.5Very low121 Ų121151.5 Ų151.579%0.78680%0.8SS**PPolyproline II helixtrans-93.2153.9-157.9-4.124.7000114.9
794Q28.5Very low31.5Very low195 Ų195153.8 Ų153.891%0.91181%0.805SS**PPolyproline II helixtrans-68136.8168.3-71.2178.2-38.100111.3
795Q34.6Very low31.1Very low170 Ų170151.1 Ų151.179%0.79480%0.8SS**PPolyproline II helixtrans-85.2146.8175-74.4-174.9-7.900112.4
796T28.8Very low30.9Very low115 Ų115150.3 Ų150.371%0.70680%0.801SS**  trans-110.5170.7170.643.90000110
797L30.2Very low30.7Very low146 Ų146150.8 Ų150.876%0.76480%0.804SS**  trans75.8150.4179.6-68.194.2000116.1
798N29.6Very low30.4Very low122 Ų122145.6 Ų145.665%0.65280%0.801SS**  cis-167.6163-31-105.5-4.2000107.6
799H27.1Very low30.2Very low155 Ų155140.1 Ų140.172%0.71880%0.796SS**  trans13.2124.6154.7-54.1-66.5000118.7
800D31.7Very low29.8Very low167 Ų167141.2 Ų141.289%0.89380%0.797SS**  -174170.280.4-86.9-39.2000111.3
801G27.8Very low29.8Very low70 Ų70141.9 Ų141.972%0.72280%0.797SS**  trans111.578.715500000118.3
802D31.6Very low29.5Very low155 Ų155143.3 Ų143.383%0.82980%0.798SS**  trans40.8116.9136.8-58.3-35.1000122.8
803N27.2Very low29.2Very low152 Ų152146.1 Ų146.181%0.81380%0.801SS**  trans-5127.4139.7-65.3-52.3000117.6
804I32.5Very low28.9Very low166 Ų166146.4 Ų146.485%0.85180%0.8SS**  -154.8136.9129.3-95.8137.8000110.3
805N26.8Very low28.7Very low150 Ų150141.5 Ų141.580%0.80279%0.793SS**  trans3.2131.4171.4-71.4-24.8000122.4
806F24.9Very low28.5Very low200 Ų200140.9 Ų140.988%0.87779%0.794SS**  trans-44135.6148-72-104.8000113
807N29.6Very low28.3Very low165 Ų165142.4 Ų142.488%0.88280%0.796SS**  trans-150.8145.1134-138.5-10.9000111.3
808C23.2Very low28.1Very low120 Ų120143 Ų14381%0.81180%0.8SS**  trans-86.5133.6-174.5-68.80000112.6
809S30.7Very low28.1Very low107 Ų107142.4 Ų142.475%0.74880%0.803SS**  trans-157.8115.9145.458.30000110.7
810T26.5Very low28.3Very low143 Ų143140.2 Ų140.288%0.87781%0.805SS**  trans-71.4120.4167.141.10000110.4
811T34Very low28.6Very low121 Ų121139.2 Ų139.274%0.74281%0.805SS**  trans-146.9121.2160.2-32.90000109.7
812D26.2Very low28.6Very low152 Ų152142.8 Ų142.881%0.81381%0.807SS**  trans-68.6132.7174.7-57.2-79000111.5
813Q30.1Very low28.6Very low177 Ų177142.8 Ų142.883%0.82781%0.807SS**  trans-169.2104.1147-108.1154.46200114.2
814T25.2Very low28.8Very low126 Ų126139.7 Ų139.777%0.77380%0.797SS**  trans25.6113133.254.40000121.8
815A24.7Very low28.6Very low92 Ų92142.3 Ų142.376%0.7680%0.798SS**  70.4165.6127.200000121.7
816I29.6Very low28.9Very low157 Ų157141.6 Ų141.681%0.80580%0.799SS**  trans77.1101.4-178.9-49163.9000111.8
817I25.1Very low29.3Very low147 Ų147137 Ų13775%0.75480%0.798SS**  cis66.899.248.4-49.2175.5000113.8
818D26.8Very low29.4Very low159 Ų159134 Ų13485%0.8580%0.796SS**  -165.2142115.5-128.7-4.7000113.4
819P29Very low29.8Very low110 Ų110137.6 Ų137.671%0.71480%0.798SS**  trans-114.1150.5177.338.6-28.3000113.7
820S31.4Very low30Very low108 Ų108138.4 Ų138.476%0.75580%0.801SS**  trans-153.4143.616868.50000117.8
821T36.9Very low30.2Very low146 Ų146139.1 Ų139.190%0.89679%0.794SS**  trans76.8127.116263.60000121.3
822L28.6Very low30Very low146 Ų146140.4 Ų140.476%0.76480%0.795SS**  trans-140.6147179177.375.5000107.1
823N32.4Very low30.2Very low154 Ų154142.9 Ų142.982%0.82479%0.793SS**  trans-140.7172.6176.1-105.4-34.8000113
824S31.7Very low30.2Very low88 Ų88143.1 Ų143.162%0.61579%0.792SS**  trans-134.8154.4-137.3-36.90000116.9
825Y28.3Very low30.5Very low220 Ų220144 Ų14486%0.86379%0.79SS**  trans62152.7163.1-64-77000117
826T32.3Very low30.8Very low136 Ų136146 Ų14683%0.83479%0.788SS**  cis-152.4153.224.9-37.60000110.9
827A32.4Very low30.8Very low102 Ų102144.7 Ų144.784%0.84379%0.787SS**PPolyproline II helixtrans-96.8133-178.300000114.2
828A33.4Very low31.2Very low102 Ų102143.6 Ų143.684%0.84379%0.787SS**PPolyproline II helixtrans-98.6146.9177.200000112.9
829K31.4Very low31.3Very low197 Ų197143.8 Ų143.886%0.85779%0.788SS**PPolyproline II helixtrans-73.4149.5175.3-88.8178.3173.4175.30111.9
830P35Very low31.3Very low124 Ų124144.1 Ų144.181%0.80579%0.793SS**PPolyproline II helixtrans-79.2120.3176.431.4-33000111.8
831E29.3Very low31.2Very low158 Ų158144.3 Ų144.374%0.73879%0.794SS**PPolyproline II helixtrans-78.8127.1168.2-69.7-178.1142.900110.9R833E831-R833 PolarHBondContact O-N 3.04Å; E831-R833 VanDerWaalsContact O-N 3.16Å
832I31.6Very low30.9Very low148 Ų148143.8 Ų143.876%0.75979%0.793SS**  trans-77.2100.3171.2-61.2172.7000107.8F834I832-F834 PolarHBondContact O-N 2.89Å
833R28.9Very low30.8Very low203 Ų203140.2 Ų140.277%0.76679%0.792SS**  trans-79.2114.6175.2-62-177.2-173.5175.53.4109.6E831 I835E831-R833 PolarHBondContact O-N 3.04Å; E831-R833 VanDerWaalsContact O-N 3.16Å; R833-I835 PolarHBondContact O-N 3.14Å
834F30.3Very low30.4Very low183 Ų183139.7 Ų139.780%0.80379%0.789SS**  trans-67.9119.7166-72.2-92.4000108.5I832 D836I832-F834 PolarHBondContact O-N 2.89Å; F834-D836 PolarHBondContact O-N 3.16Å
835I32.1Very low30.3Very low143 Ų143144.9 Ų144.973%0.73380%0.801SS**  trans-90.287.9177.1-54.7178.3000107.6R833 T837R833-I835 PolarHBondContact O-N 3.14Å; I835-T837 HydrophobicContact CG2-CG2 4.11Å; I835-T837 PolarHBondContact O-N 2.85Å
836D30.2Very low30.1Very low136 Ų136141.8 Ų141.873%0.72780%0.799SS**  trans-69.994.6167.2-76.9-33.4000109.2F834 T838F834-D836 PolarHBondContact O-N 3.16Å; D836-T838 PolarHBondContact O-N 3.08Å
837T31Very low29.9Very low129 Ų129142.6 Ų142.679%0.79180%0.798SS**  trans-72.662.3171.731.70000111.4I835I835-T837 HydrophobicContact CG2-CG2 4.11Å; I835-T837 PolarHBondContact O-N 2.85Å
838T31.6Very low29.5Very low123 Ų123145 Ų14576%0.75580%0.796SS**  trans-75.4136.6162.252.10000109.5D836 S840D836-T838 PolarHBondContact O-N 3.08Å; T838-S840 PolarHBondContact O-N 3.01Å
839L30.2Very low29.2Very low163 Ų163145.4 Ų145.485%0.85379%0.793SS**  trans-65.6120.3-166.1-75.872.3000111.6S841L839-S841 PolarHBondContact O-N 2.91Å
840S28.2Very low29Very low117 Ų117143.6 Ų143.682%0.81879%0.791SS**  trans-67.8102.1166.2420000110.1T838 P842T838-S840 PolarHBondContact O-N 3.01Å; S840-P842 WeakPolarHBondContact O-CD 3.25Å
841S30.5Very low28.8Very low112 Ų112144.8 Ų144.878%0.78379%0.791SS**  trans-70.7123.2167.4-66.50000109.3L839L839-S841 PolarHBondContact O-N 2.91Å
842P29.3Very low28.5Very low136 Ų136144.3 Ų144.388%0.88379%0.793SS**  trans-85.6115177.732.5-30.3000110.1S840S840-P842 WeakPolarHBondContact O-CD 3.25Å
843G25.9Very low28.5Very low71 Ų71144.7 Ų144.773%0.73280%0.795SS**  trans-163.3109.9-178.600000113.2
844N25.9Very low28.3Very low143 Ų143141.7 Ų141.777%0.76579%0.794SS**  trans-29.4141.1168.4-57.9-28000115.2
845F29.2Very low28.2Very low197 Ų197137.8 Ų137.886%0.86479%0.785SS**  -171.2130.992.4-103.7-77.9000111.8
846N24.5Very low28.2Very low154 Ų154138.5 Ų138.582%0.82479%0.791SS**  trans-71.4134.1159.3-92.4-28.1000108.7
847L27.5Very low28Very low154 Ų154141.2 Ų141.281%0.80680%0.796SS**  -172.8122.7129.4-105.5150.5000113.2
848N23.7Very low28.3Very low153 Ų153140.8 Ų140.882%0.81880%0.795SS**  trans-17.6125158.8-51.8-27000116.5
849S27.8Very low28.4Very low110 Ų110140.3 Ų140.377%0.76979%0.794SS**  trans-160.1115.5138.1-173.80000110.2
850I26Very low28.2Very low159 Ų159138.2 Ų138.282%0.81579%0.788SS**  trans-77.3124.2167.9-66159000106.8
851N30Very low28.2Very low149 Ų149141.6 Ų141.680%0.79779%0.788SS**  trans-158122.3148.8-101.7-30.9000112.7
852N24.7Very low27.9Very low148 Ų148140 Ų14079%0.79179%0.789SS**  trans-64.5129.3162.5-78.7-53.4000110.1
853I31.3Very low28Very low155 Ų155145.1 Ų145.180%0.79579%0.791SS**  trans-163.198.5139.3-81.9125.7000103.2
854N23.9Very low28.1Very low140 Ų140146.3 Ų146.375%0.74979%0.788SS**  67.4138.472.1-145.45.5000113.7
855T28.5Very low28.3Very low102 Ų102148.1 Ų148.163%0.62680%0.797SS**  trans55.799.3167.759.70000119.3
856N32.2Very low28.3Very low158 Ų158146.2 Ų146.285%0.84580%0.796SS**  179.4147.788.3-88.6-43.3000113.5
857K26.5Very low28.4Very low193 Ų193142.1 Ų142.184%0.83979%0.79SS**  trans-80.1149.2-174.7-65.9170.1175.5172.70112.4
858P36.5Very low28.6Very low119 Ų119143.2 Ų143.277%0.77380%0.796SS**  trans-71.9156155.735.1-34.4000109.3
859P33.7Very low28.8Very low113 Ų113145.9 Ų145.973%0.73480%0.8SS**  -157155.9102.440.4-21.4000117.9
860V26.6Very low29Very low120 Ų120147.8 Ų147.873%0.72780%0.801SS**  83.6114.1129.6159.70000122.7
861F28.8Very low29.2Very low187 Ų187147.5 Ų147.582%0.8280%0.8SS**  trans64.5106139.9-71.6-121.5000122.2
862G24.4Very low29.3Very low78 Ų78148.7 Ų148.780%0.80481%0.805SS**  58.88998.200000119.6
863R30.5Very low29.5Very low245 Ų245147 Ų14793%0.92581%0.805SS**  trans-150.9148156.5-59.7-176.4-178-166.7-0.5108
864S28.2Very low29.4Very low95 Ų95149 Ų14966%0.66481%0.808SS**  cis-156.4154.3-24.555.90000107.4N866S864-N866 VanDerWaalsContact C-N 3.31Å; S864-N866 PolarHBondContact O-N 3.08Å
865L28.8Very low29.6Very low182 Ų182147.5 Ų147.595%0.95381%0.808SS**  trans-75.182.3173.3-90.9153.8000110
866N30.1Very low29.6Very low157 Ų157148.3 Ų148.384%0.8481%0.813SS**  trans-14560.6173.3-96.5-24.2000111S864S864-N866 VanDerWaalsContact C-N 3.31Å; S864-N866 PolarHBondContact O-N 3.08Å
867G27.2Very low29.6Very low67 Ų67148.7 Ų148.769%0.69181%0.81SS**  trans-122.7145.8164.400000109.4
868L30.3Very low29.4Very low178 Ų178149.9 Ų149.993%0.93281%0.809SS**  trans74.345.5176.5-46.2179.1000116.8
869K28.5Very low29.2Very low209 Ų209153.7 Ų153.791%0.90981%0.813SS**  trans-111.493139.9-90.6-174.7176176.60108.4
870L32.5Very low29Very low150 Ų150155 Ų15579%0.78582%0.815SS**  trans-142.3122.4176.2-147.177.1000111.7
871L30.2Very low29Very low152 Ų152153.9 Ų153.980%0.79682%0.818SS**  trans48.988152.3-65.4165.2000118.5
872L32.1Very low29.1Very low175 Ų175152.7 Ų152.792%0.91682%0.82SS**  trans-128.6124.5132.7-95.4166.9000109.2
873S29.3Very low29.2Very low112 Ų112156.7 Ų156.778%0.78382%0.823SS**  trans-57.6138.5-162.95.50000115.4S875S873-S875 PolarHBondContact O-N 2.89Å
874K28.3Very low29.3Very low198 Ų198150.2 Ų150.286%0.86182%0.815SS**  trans-65.6127.9160.7-72.8177.2173.7178.30109.5
875S29.3Very low29.2Very low107 Ų107154.2 Ų154.275%0.74883%0.829SS**  trans-93.6112.3158.3177.40000108.6S873S873-S875 PolarHBondContact O-N 2.89Å
876T28Very low29.3Very low119 Ų119149.8 Ų149.873%0.7382%0.819SS**  trans-92.9106173.543.60000110
877H31.5Very low29.1Very low167 Ų167150.4 Ų150.477%0.77382%0.822SS**  trans-110.2109.5155.4-88.1-80000109.3
878R23.5Very low29.3Very low217 Ų217155.4 Ų155.482%0.81983%0.832SS**  trans-75.4137158.6-68176.8175.3167.2-3.9107.3
879F31.9Very low29Very low199 Ų199155.1 Ų155.187%0.87383%0.831SS**  trans-129.5129.1145.5-98.9-78.1000107.1
880D29.1Very low28.9Very low142 Ų142149.1 Ų149.176%0.75983%0.829SS**  trans-75.8151.3-170.8-64.6-64.7000111.9
881A26.6Very low28.6Very low96 Ų96145.6 Ų145.679%0.79383%0.829SS**  trans-71.1136.9169.100000109.9
882N30.8Very low28.5Very low162 Ų162148.7 Ų148.787%0.86684%0.836SS**  trans-142.1130.6157.7-101.2-36.1000111
883N27.1Very low28.5Very low162 Ų162145.9 Ų145.987%0.86683%0.831SS**  trans-73.3144.3176-64.6-58.4000110.9
884S31.5Very low28.4Very low109 Ų109147.9 Ų147.976%0.76283%0.832SS**  -172115.7129.354.60000111.4A886S884-A886 PolarHBondContact O-N 3.28Å
885N25.5Very low28.2Very low178 Ų178147.6 Ų147.695%0.95283%0.831SS**  trans-69.5125159.3-73.8-31.7000108.6
886A32.5Very low28.2Very low89 Ų89151.8 Ų151.874%0.73684%0.836SS**  trans-143.296.416900000110.2S884 L888S884-A886 PolarHBondContact O-N 3.28Å; A886-L888 PolarHBondContact O-N 3.18Å
887N24.6Very low28.3Very low171 Ų171153.5 Ų153.591%0.91484%0.836SS**  trans-63.1119164.3-90.6-27.5000109.3
888L31.8Very low28.1Very low171 Ų171153.4 Ų153.490%0.89584%0.839SS**  trans-137.2106156.2-88.3176000110.4A886A886-L888 PolarHBondContact O-N 3.18Å
889N24.9Very low28.4Very low172 Ų172150.3 Ų150.392%0.9283%0.834SS**  trans-68.1142.8162.4-80.1-41.6000110
890G25.9Very low28.2Very low83 Ų83148.6 Ų148.686%0.85683%0.828SS**  trans122.1152.615900000115
891G26.7Very low28.2Very low77 Ų77148.7 Ų148.779%0.79483%0.829SS**  trans113.576.2172.600000114.1S893G891-S893 PolarHBondContact O-N 2.97Å
892K27.5Very low28.4Very low217 Ų217149.9 Ų149.994%0.94383%0.831SS**  trans-59.8119.7161.5-63.7167.6178.6174.30108.4
893S32.2Very low28.3Very low116 Ų116149.6 Ų149.681%0.81183%0.828SS**  trans-135.4132.6156.668.40000109.7G891G891-S893 PolarHBondContact O-N 2.97Å
894L26.2Very low28.4Very low153 Ų153148.1 Ų148.180%0.80182%0.82SS**  trans-98.6161.3178.8-77.1141.8000109.4
895F26Very low28.4Very low192 Ų192148.4 Ų148.484%0.84282%0.82SS**  trans81.5135.8161.3-79.1-77.7000120.2
896K28Very low28.7Very low195 Ų195149.8 Ų149.885%0.84881%0.811SS**  trans6997.3165.9-61177.7-177.4-179.30117
897Q30.6Very low28.9Very low156 Ų156154.3 Ų154.373%0.72982%0.817SS**  -154.9121.3105.1-153.1141.2-34.200109.1E899Q897-E899 HydrophobicContact CG-CB 4.36Å; Q897-E899 PolarHBondContact NE2-OE2 3.03Å
898I26.4Very low29.1Very low164 Ų164154.1 Ų154.184%0.84182%0.816SS**  trans-93.1105.9161-64.6172.2000104.2
899E30.6Very low29.2Very low152 Ų152150.5 Ų150.571%0.7181%0.805SS**  trans-130.7137.8167.7-126.8164.8177.600109.1Q897Q897-E899 HydrophobicContact CG-CB 4.36Å; Q897-E899 PolarHBondContact NE2-OE2 3.03Å
900H26.8Very low29.4Very low163 Ų163146.5 Ų146.576%0.75580%0.796SS**  trans-76.6175.9-174.1-91.6-119.2000111.8
901D29.4Very low29.7Very low145 Ų145149.2 Ų149.278%0.77579%0.789SS**  trans76.875.8161.7-56.4-19.9000118.3
902S31.6Very low30.1Very low120 Ų120152.2 Ų152.284%0.83979%0.787SS**  trans-147.371.7134.446.80000112.4N904S902-N904 VanDerWaalsContact C-N 3.3Å; S902-N904 PolarHBondContact O-N 2.79Å
903I28.4Very low30.3Very low156 Ų156148.8 Ų148.880%0.878%0.777SS**  trans-68.193.6161-61.7174.9000107.6P905I903-P905 VanDerWaalsContact C-CD 3.43Å; I903-P905 VanDerWaalsContact CG2-CD 3.48Å; I903-P905 HydrophobicContact CG2-CG 4.09Å
904N28.8Very low30.3Very low132 Ų132151 Ų15171%0.70678%0.779SS**  trans-133.260.6163.8-142.7-6.8000111.9S902 R906S902-N904 VanDerWaalsContact C-N 3.3Å; S902-N904 PolarHBondContact O-N 2.79Å; N904-R906 PolarHBondContact O-N 3.05Å
905P32.1Very low30.4Very low115 Ų115150.9 Ų150.975%0.74778%0.78SS**  trans-76.265.4177.935.1-37000111I903I903-P905 VanDerWaalsContact C-CD 3.43Å; I903-P905 VanDerWaalsContact CG2-CD 3.48Å; I903-P905 HydrophobicContact CG2-CG 4.09Å
906R32.5Very low30.6Very low206 Ų206150.2 Ų150.278%0.77778%0.779SS**  trans-122134.4157.9-70.3-178.5176.6172.40.4105.7N904N904-R906 PolarHBondContact O-N 3.05Å
907H35.1Very low30.9Very low184 Ų184147.1 Ų147.185%0.85278%0.777SS**  trans76.563.5-166.2-47.6-79.8000115.3
908N29Very low31Very low168 Ų168143.9 Ų143.990%0.89877%0.772SS**  -136116.9128.7-96.2-23.1000108.1
909S34.3Very low31.2Very low94 Ų94141.7 Ų141.766%0.65777%0.771SS**  trans-78.1126.9-177.743.50000110.7I911S909-I911 PolarHBondContact O-N 2.9Å
910A29.1Very low31.3Very low88 Ų88143.4 Ų143.473%0.72778%0.776SS**THydrogen-bonded Turntrans-75.160.1-174.700000114
911I33.3Very low31.3Very low141 Ų141141.3 Ų141.372%0.72378%0.78SS**THydrogen-bonded Turntrans-105-21.9176.2-68.3179.7000112.2S909 I913S909-I911 PolarHBondContact O-N 2.9Å; I911-I913 PolarHBondContact O-N 3.34Å
912D34.3Very low31.5Very low139 Ų139143.5 Ų143.574%0.74381%0.807SS**G310 helixtrans-85.11.7-174.6-67.3-27.7000115.9L914D912-L914 PolarHBondContact O-N 3.05Å
913I32.1Very low31.5Very low145 Ų145144.7 Ų144.774%0.74481%0.805SS**G310 helixtrans-82.3-11.1-175.1-59.7-178.8000113I911I911-I913 PolarHBondContact O-N 3.34Å
914L31.9Very low31.7Very low162 Ų162144.1 Ų144.185%0.84881%0.805SS**G310 helixtrans-97.5-0.7-176.3-84.7166.4000116.1D912D912-L914 PolarHBondContact O-N 3.05Å
915N29.2Very low31.8Very low151 Ų151144.8 Ų144.881%0.80781%0.811SS**  trans-106.415179.3-83.4-10.2000114.8T917N915-T917 PolarHBondContact O-N 2.66Å
916Q30.1Very low31.8Very low178 Ų178146.5 Ų146.583%0.83282%0.815SS**  trans-87.189.1166.4-73.6-166-3.100110.8S918Q916-S918 VanDerWaalsContact C-N 3.34Å; Q916-S918 PolarHBondContact O-N 2.87Å
917T33.3Very low31.8Very low130 Ų130142.8 Ų142.880%0.79882%0.817SS**  trans-64.792.1163.448.10000109.6N915 S919N915-T917 PolarHBondContact O-N 2.66Å; T917-S919 PolarHBondContact O-N 2.89Å; T917-S919 VanDerWaalsContact O-N 3.14Å
918S32.8Very low31.5Very low89 Ų89140.1 Ų140.162%0.62282%0.815SS**  trans-75.497.8171.859.60000110.1Q916 F920Q916-S918 VanDerWaalsContact C-N 3.34Å; Q916-S918 PolarHBondContact O-N 2.87Å; S918-F920 PolarHBondContact O-N 2.91Å
919S31.5Very low31.7Very low118 Ų118138.1 Ų138.183%0.82581%0.809SS**  trans-62.6103.7168.7-52.10000109.8T917T917-S919 PolarHBondContact O-N 2.89Å; T917-S919 VanDerWaalsContact O-N 3.14Å
920F32.4Very low31.5Very low187 Ų187141.5 Ų141.582%0.8282%0.82SS**  trans-101.2113.3166.9-85.1-78.5000109.6S918S918-F920 PolarHBondContact O-N 2.91Å
921S26.4Very low31.7Very low119 Ų119145.9 Ų145.983%0.83283%0.828SS**  trans-77.9134170.253.20000111.2
922S33.9Very low31.6Very low192 Ų192146.4 Ų146.4100%1.34384%0.838SS**  trans-145.40152.565.10000108.4

Retrieved 922 of 922 residues in 769.3 ms (Link to these results)