A0A077YZ17_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZ17, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 694 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.3Very low32.9Very low242 Ų242149.5 Ų149.5100%1.19283%0.825SS**  0119.80-70.7178.5-173.900106.6C3M1-C3 PolarHBondContact O-N 3.1Å
2G35.2Very low32.8Very low76 Ų76154.3 Ų154.378%0.78484%0.836SS**  trans-77.8117.4-163.100000112.7T4G2-T4 PolarHBondContact O-N 3.14Å
3C32.9Very low32.5Very low122 Ų122155.8 Ų155.882%0.82484%0.835SS**  trans-78.996.8163.3-62.30000107.5M1 F5M1-C3 PolarHBondContact O-N 3.1Å; C3-F5 PolarHBondContact O-N 3.04Å
4T37.2Very low32.2Very low116 Ų116155.2 Ų155.271%0.71283%0.83SS**  trans-76.2118.1169.841.90000109.3G2 F6G2-T4 PolarHBondContact O-N 3.14Å; T4-F6 PolarHBondContact O-N 3.09Å
5F30.3Very low32.9Very low194 Ų194151.7 Ų151.785%0.85182%0.819SS**  trans-54.6117168.3-77.1-102.7000110.3C3C3-F5 PolarHBondContact O-N 3.04Å
6F32Very low32.8Very low189 Ų189152.9 Ų152.983%0.82983%0.825SS**  trans-105.599.4156.7-89-84.3000107.6T4T4-F6 PolarHBondContact O-N 3.09Å
7Q29.1Very low32.9Very low181 Ų181150.8 Ų150.885%0.84683%0.825SS**  trans-92.3100.2170.2-164.416415.300105.8
8V33.4Very low32.7Very low120 Ų120146 Ų14673%0.72782%0.816SS**  trans-98.6131.3172.4179.70000107.8
9P33Very low32.6Very low107 Ų107148.5 Ų148.570%0.69582%0.821SS**  trans-77.9135.5-167.1-7.625.8000112.2S11P9-S11 PolarHBondContact O-N 3.28Å; P9-S11 VanDerWaalsContact O-N 3.14Å
10E28.5Very low32.8Very low202 Ų202148.6 Ų148.694%0.94482%0.815SS**  trans-62.1101.9159-72.6173.411800109.5
11S32.5Very low32.8Very low96 Ų96152.6 Ų152.667%0.67182%0.818SS**  trans-164.881.9161.256.20000110.5P9P9-S11 PolarHBondContact O-N 3.28Å; P9-S11 VanDerWaalsContact O-N 3.14Å
12E31.7Very low32.6Very low206 Ų206150 Ų15096%0.96380%0.8SS**  trans-158.493.3143.2-112171.9-177.500107.7
13Q28.4Very low32.5Very low175 Ų175151 Ų15182%0.81880%0.795SS**  trans-107.7124.7-179.2-140.3175.815.500107.4
14L28.3Very low32.3Very low147 Ų147153.8 Ų153.877%0.7780%0.796SS**  trans77.4156.1154.8-69.1140.5000119.4
15P43.5Very low32Very low102 Ų102154.5 Ų154.566%0.66280%0.8SS**  cis-133.9168.1-20.930.1-10.1000115.1S17P15-S17 PolarHBondContact O-N 2.85Å
16D31Very low31.9Very low171 Ų171156 Ų15691%0.91480%0.799SS**  trans-39.6116.8158-77.3-45.8000113.1
17S34Very low31.9Very low117 Ų117151.7 Ų151.782%0.81879%0.793SS**  trans-156.2123.5155.168.90000110.7P15P15-S17 PolarHBondContact O-N 2.85Å
18G30.4Very low31.9Very low65 Ų65150 Ų15067%0.6779%0.79SS**  trans113.272.9159.700000114.1E20G18-E20 PolarHBondContact O-N 2.82Å
19E30.7Very low31.8Very low194 Ų194152.9 Ų152.991%0.90780%0.796SS**  trans-5589140.3-72.6179.713700107R21E19-R21 PolarHBondContact O-N 3.48Å
20E36.2Very low32Very low149 Ų149152.8 Ų152.870%0.69680%0.795SS**  trans-63.495.7167.5-73.8-164.3148.500106.7G18 F22G18-E20 PolarHBondContact O-N 2.82Å; E20-F22 VanDerWaalsContact C-N 3.27Å; E20-F22 WeakPolarHBondContact O-CD2 3.37Å; E20-F22 PolarHBondContact O-N 2.8Å
21R33.2Very low32.4Very low233 Ų233149 Ų14988%0.87978%0.781SS**  trans-49.598.9159-69.5179.6177.5-146.7-1.9106.8E19 S23E19-R21 PolarHBondContact O-N 3.48Å; R21-S23 PolarHBondContact O-N 3.41Å
22F34.4Very low32.4Very low188 Ų188155.7 Ų155.783%0.82579%0.792SS**  trans-6294.7167.5-78.8-81.3000107.5E20 H24E20-F22 VanDerWaalsContact C-N 3.27Å; E20-F22 WeakPolarHBondContact O-CD2 3.37Å; E20-F22 PolarHBondContact O-N 2.8Å; F22-H24 PolarHBondContact O-N 2.76Å
23S32.4Very low32.5Very low97 Ų97154 Ų15468%0.67879%0.788SS**  trans-59.5126.2173.7490000109R21 V25R21-S23 PolarHBondContact O-N 3.41Å; S23-V25 PolarHBondContact O-N 3.46Å
24H28.4Very low32.7Very low181 Ų181156.4 Ų156.484%0.83879%0.79SS**  trans-28.497.1166.4-63.6-77.3000113.8F22 R26F22-H24 PolarHBondContact O-N 2.76Å; H24-R26 VanDerWaalsContact C-N 3.29Å; H24-R26 PolarHBondContact O-N 3.25Å
25V31.6Very low33Very low131 Ų131154.6 Ų154.679%0.79479%0.789SS**  trans-78.889.6162-179.40000106.8S23 S27S23-V25 PolarHBondContact O-N 3.46Å; V25-S27 VanDerWaalsContact C-N 3.27Å; V25-S27 PolarHBondContact O-N 3.31Å
26R26.6Very low32.6Very low224 Ų224157.4 Ų157.485%0.84580%0.798SS**  trans-68.583.9162.6-76.4177.4164.2162.1-4.5108.5H24 N28H24-R26 VanDerWaalsContact C-N 3.29Å; H24-R26 PolarHBondContact O-N 3.25Å; R26-N28 PolarHBondContact O-N 3.39Å
27S32.4Very low32.6Very low100 Ų100152.9 Ų152.970%0.69979%0.792SS**  trans-89.695160.257.90000108.2V25 E29V25-S27 VanDerWaalsContact C-N 3.27Å; V25-S27 PolarHBondContact O-N 3.31Å; S27-E29 PolarHBondContact O-N 3.04Å; S27-E29 VanDerWaalsContact O-N 3.17Å
28N30.1Very low32.5Very low145 Ų145153 Ų15378%0.77579%0.788SS**  trans-58.1108.6166-75.3-44.3000109.3R26R26-N28 PolarHBondContact O-N 3.39Å
29E31Very low32.6Very low181 Ų181157.6 Ų157.685%0.84680%0.796SS**  trans-135.965.8160.4-148.1174.2-167.500111.6S27 D31S27-E29 PolarHBondContact O-N 3.04Å; S27-E29 VanDerWaalsContact O-N 3.17Å; E29-D31 PolarHBondContact O-N 2.92Å
30P37.3Very low32.7Very low104 Ų104153 Ų15368%0.67579%0.785SS**  trans-92.670.3173.137.2-31.1000110.5
31D37.4Very low32.5Very low124 Ų124151.7 Ų151.766%0.66379%0.787SS**  trans-146.819.1176.5-100.5-24.8000116.9E29E29-D31 PolarHBondContact O-N 2.92Å
32R31.6Very low32.4Very low236 Ų236149.2 Ų149.289%0.89179%0.785SS**SBendtrans-117.82.5175.7-79.7-170.2169.8-172.9-0.4117.9
33L34.5Very low32.5Very low170 Ų170146.2 Ų146.289%0.8978%0.783SS**SBendtrans-111.95.7175.6-65.9176.7000114.8S35L33-S35 VanDerWaalsContact C-N 3.27Å; L33-S35 PolarHBondContact O-N 3Å; L33-S35 VanDerWaalsContact O-N 3.08Å
34R32.3Very low32.7Very low225 Ų225148.9 Ų148.985%0.84979%0.789SS**THydrogen-bonded Turntrans-84.266.1168.7-74.9-177.6173.9170.3-2.2111.4
35S34.7Very low33Very low109 Ų109145.4 Ų145.476%0.76279%0.785SS**THydrogen-bonded Turntrans-144.76.6162.5-166.30000114.5L33L33-S35 VanDerWaalsContact C-N 3.27Å; L33-S35 PolarHBondContact O-N 3Å; L33-S35 VanDerWaalsContact O-N 3.08Å
36L34.4Very low32.9Very low161 Ų161142.2 Ų142.284%0.84378%0.778SS**SBendtrans-99.789.5166.4-64.9177.3000107.5V38L36-V38 VanDerWaalsContact C-N 3.28Å; L36-V38 PolarHBondContact O-N 2.83Å
37G30.3Very low33Very low77 Ų77138.2 Ų138.279%0.79477%0.774SS**  trans-61.788.4174.800000110.6L39G37-L39 PolarHBondContact O-N 3.03Å
38V33.7Very low33.2Very low119 Ų119140 Ų14072%0.72178%0.775SS**  trans-9191.5157.7-174.60000105.3L36 S40L36-V38 VanDerWaalsContact C-N 3.28Å; L36-V38 PolarHBondContact O-N 2.83Å; V38-S40 PolarHBondContact O-N 3.21Å
39L31.8Very low33.3Very low162 Ų162137.7 Ų137.785%0.84877%0.767SS**  trans-63.191.8164-72.7167.4000106.5G37 V41G37-L39 PolarHBondContact O-N 3.03Å; L39-V41 PolarHBondContact O-N 3.46Å; L39-V41 VanDerWaalsContact O-N 3.08Å
40S33.4Very low33.5Very low96 Ų96138.2 Ų138.267%0.67177%0.769SS**  trans-70.3101.3167.5-56.50000105.5V38 E42V38-S40 PolarHBondContact O-N 3.21Å; S40-E42 VanDerWaalsContact C-N 3.33Å; S40-E42 PolarHBondContact O-N 2.71Å; S40-E42 VanDerWaalsContact O-N 3.08Å
41V30.8Very low33Very low122 Ų122136.9 Ų136.974%0.73977%0.774SS**  trans-73.598.1168.9-179.90000105.3L39 V43L39-V41 PolarHBondContact O-N 3.46Å; L39-V41 VanDerWaalsContact O-N 3.08Å; V41-V43 PolarHBondContact O-N 3.17Å
42E31.7Very low32.6Very low181 Ų181138.4 Ų138.485%0.84678%0.782SS**  trans-62105.3165.7-72.8169.2154.700106.9S40 D44S40-E42 VanDerWaalsContact C-N 3.33Å; S40-E42 PolarHBondContact O-N 2.71Å; S40-E42 VanDerWaalsContact O-N 3.08Å; E42-D44 VanDerWaalsContact C-N 3.3Å; E42-D44 PolarHBondContact O-N 2.59Å
43V36.6Very low32.7Very low126 Ų126132.6 Ų132.676%0.76478%0.775SS**  trans-7595.9168.2-178.70000105.6V41 S45V41-V43 PolarHBondContact O-N 3.17Å; V43-S45 PolarHBondContact O-N 2.67Å
44D35.3Very low32.2Very low152 Ų152129.2 Ų129.281%0.81377%0.765SS**  trans-65.288168.7-160.96.8000107.7E42 G46E42-D44 VanDerWaalsContact C-N 3.3Å; E42-D44 PolarHBondContact O-N 2.59Å; D44-G46 PolarHBondContact O-N 3Å
45S34.7Very low32Very low109 Ų109125 Ų12576%0.76277%0.769SS**  trans-75.277.6165.964.50000107.2V43 N47V43-S45 PolarHBondContact O-N 2.67Å; S45-N47 PolarHBondContact O-N 3.26Å
46G30.9Very low31.7Very low63 Ų63124.4 Ų124.465%0.64977%0.765SS**  trans-49.8111.3171.800000110.5D44D44-G46 PolarHBondContact O-N 3Å
47N28.6Very low31.6Very low140 Ų140122.8 Ų122.875%0.74976%0.764SS**  trans-30.4130.8156.7-168.829.5000112.6S45S45-N47 PolarHBondContact O-N 3.26Å
48D36.2Very low31.5Very low137 Ų137123.6 Ų123.673%0.73376%0.763SS**  trans-168112.7134.3-94.5-24.4000112.6
49T32Very low31.2Very low98 Ų98122.6 Ų122.660%0.60177%0.768SS**  trans53.799.8139.960.60000118.5
50H35.1Very low31.2Very low192 Ų192122.9 Ų122.989%0.88977%0.769SS**  -153.284.7115.5-85.3-60.8000108.2N52H50-N52 PolarHBondContact O-N 2.96Å
51G26.5Very low30.9Very low75 Ų75121.1 Ų121.177%0.77377%0.766SS**  trans-65111.3160.600000108.5
52N30.4Very low30.9Very low157 Ų157122 Ų12284%0.8477%0.774SS**PPolyproline II helixtrans-98.5128.7152.2-95.6-22000107.7H50H50-N52 PolarHBondContact O-N 2.96Å
53P32.4Very low30.7Very low114 Ų114122.8 Ų122.874%0.7478%0.778SS**PPolyproline II helixtrans-68.6146.5-167.226.8-34.1000112.5C55P53-C55 PolarHBondContact O-N 3.09Å
54S25Very low30.5Very low98 Ų98120 Ų12069%0.68577%0.774SS**PPolyproline II helixtrans-52.3123.5167.7560000112.2
55C27.8Very low30.2Very low137 Ų137122.4 Ų122.493%0.92678%0.778SS**  trans-95.393.3149.4-74.90000107.3P53P53-C55 PolarHBondContact O-N 3.09Å
56S28.1Very low30.1Very low97 Ų97124.8 Ų124.868%0.67878%0.782SS**  trans-70.9157.5170.5-58.60000110.8
57P32.7Very low30Very low127 Ų127130 Ų13083%0.82579%0.789SS**  trans-89.3129.3-152.733.8-31.3000112.1
58A27.6Very low30.2Very low93 Ų93131 Ų13177%0.76980%0.795SS**  trans-86.6110.1162.400000108.2L60A58-L60 PolarHBondContact O-N 3.37Å
59A27.2Very low29.8Very low99 Ų99130.2 Ų130.282%0.81879%0.794SS**  trans-50.8105.5164.800000110
60L32.2Very low29.7Very low168 Ų168132.3 Ų132.388%0.8881%0.807SS**  trans-95.1106.7162-75.2171.3000106.7A58A58-L60 PolarHBondContact O-N 3.37Å
61G26.4Very low29.5Very low58 Ų58130 Ų13060%0.59880%0.8SS**  trans-60.1152.9178.800000112.1E63G61-E63 PolarHBondContact O-N 2.86Å; G61-E63 VanDerWaalsContact O-N 3.09Å
62P30.7Very low29.6Very low142 Ų142130.2 Ų130.292%0.92280%0.795SS**  trans-76.394178.531.2-32.7000110
63E29.5Very low29.5Very low196 Ų196129.8 Ų129.892%0.91679%0.792SS**  trans-105.1138.7165.2-83.1-172.7135.600110.1G61G61-E63 PolarHBondContact O-N 2.86Å; G61-E63 VanDerWaalsContact O-N 3.09Å
64G30.4Very low29.3Very low67 Ų67130.3 Ų130.369%0.69180%0.795SS**  trans119.264.2161.100000115.2N66G64-N66 PolarHBondContact O-N 3.2Å; G64-N66 VanDerWaalsContact O-N 3.1Å
65K30Very low29.4Very low204 Ų204136.5 Ų136.589%0.88780%0.804SS**  trans-64.298.7150.9-70178.4176-178.60107.8
66N32.9Very low29.5Very low158 Ų158135.2 Ų135.285%0.84580%0.796SS**  trans-112.5102158.1-78.2-22.1000107.3G64G64-N66 PolarHBondContact O-N 3.2Å; G64-N66 VanDerWaalsContact O-N 3.1Å
67E29.4Very low29.5Very low174 Ų174138.7 Ų138.781%0.81381%0.806SS**  trans-59.5129.1153.3-53.6-175.6165.600107.1
68D32.5Very low29.7Very low161 Ų161138.3 Ų138.386%0.86180%0.804SS**  -171.3131.4129.8-100-26.7000112
69V26.8Very low29.8Very low120 Ų120142.5 Ų142.573%0.72781%0.808SS**  trans-74.2122.5-179.1169.50000109.2L71V69-L71 HydrophobicContact CG1-CD1 3.9Å
70V31.3Very low29.8Very low142 Ų142143.6 Ų143.686%0.86180%0.804SS**  trans-125.8101.4155.4-177.50000108.8
71L29Very low29.7Very low144 Ų144143 Ų14375%0.75480%0.801SS**  trans-56.8141.4166.5-94.8120.5000111.9V69V69-L71 HydrophobicContact CG1-CD1 3.9Å
72A28.4Very low29.9Very low79 Ų79146.1 Ų146.165%0.65380%0.804SS**  trans61.3106.3142.900000118.9
73N28.9Very low29.7Very low148 Ų148149.3 Ų149.379%0.79180%0.799SS**  trans-150.877140.1-139.3-9.8000113.4R75N73-R75 VanDerWaalsContact C-N 3.29Å; N73-R75 PolarHBondContact O-N 3.25Å
74P27.6Very low29.6Very low124 Ų124147.4 Ų147.481%0.80580%0.795SS**  trans-89.465.1167.936.1-30.1000109.6
75R27.1Very low29.4Very low229 Ų229147.6 Ų147.686%0.86480%0.797SS**  trans-148.875.6170-83.1-165.5175.4164.1-1.2111.3N73N73-R75 VanDerWaalsContact C-N 3.29Å; N73-R75 PolarHBondContact O-N 3.25Å
76S31.1Very low29.2Very low109 Ų109141.3 Ų141.376%0.76279%0.79SS**  trans-153.574.1154.259.70000109.2P78S76-P78 WeakPolarHBondContact O-CD 3.2Å
77L28.7Very low28.7Very low170 Ų170138 Ų13889%0.8979%0.794SS**  trans-60.2121.3152.4-91.2154.9000107.1
78P36.3Very low28.7Very low120 Ų120133.7 Ų133.778%0.77978%0.783SS**  trans-72.2135165.828.5-26.9000108.9S76S76-P78 WeakPolarHBondContact O-CD 3.2Å
79Q29.8Very low28.6Very low181 Ų181131.5 Ų131.585%0.84678%0.78SS**  trans-44.6136.5-176.5-68.9159.2-9.200114.6L81Q79-L81 PolarHBondContact O-N 3.44Å
80T26.8Very low28.6Very low121 Ų121134.5 Ų134.574%0.74278%0.783SS**  trans-44.8110.4156.142.40000110.9D82T80-D82 VanDerWaalsContact C-N 3.33Å; T80-D82 PolarHBondContact O-N 3.05Å
81L30.8Very low28.4Very low157 Ų157132.3 Ų132.382%0.82278%0.775SS**  trans-82.587.3161.4-93.6160.3000107.8Q79 Y83Q79-L81 PolarHBondContact O-N 3.44Å; L81-Y83 HydrophobicContact CD2-CD2 4.41Å; L81-Y83 PolarHBondContact O-N 3.17Å
82D29.1Very low28.4Very low123 Ų123131.4 Ų131.466%0.65878%0.778SS**  trans-7096.5164.2-75.4-47.8000109T80T80-D82 VanDerWaalsContact C-N 3.33Å; T80-D82 PolarHBondContact O-N 3.05Å
83Y27.2Very low28.3Very low209 Ų209133 Ų13382%0.8278%0.784SS**  trans-106.282.7156.6-101.7-88.9000108.9L81 G85L81-Y83 HydrophobicContact CD2-CD2 4.41Å; L81-Y83 PolarHBondContact O-N 3.17Å; Y83-G85 PolarHBondContact O-N 3.47Å
84N28.1Very low28.1Very low156 Ų156132.4 Ų132.483%0.83479%0.786SS**  trans-68.8112.8156.2-83.6-46.7000108.1
85G25.4Very low28Very low70 Ų70133.1 Ų133.172%0.72278%0.783SS**  trans-164.182.8-178.900000113.3Y83Y83-G85 PolarHBondContact O-N 3.47Å
86G25Very low28.1Very low72 Ų72127.8 Ų127.874%0.74278%0.775SS**  trans73.6104.4142.700000117S88G86-S88 PolarHBondContact O-N 3.35Å; G86-S88 VanDerWaalsContact O-N 3.08Å
87G24Very low27.9Very low90 Ų90130.9 Ų130.993%0.92878%0.777SS**  trans-54.4114156.400000110
88S29.1Very low27.8Very low83 Ų83129.8 Ų129.858%0.5877%0.773SS**  trans-113.993.8162.2-165.60000106.7G86 F90G86-S88 PolarHBondContact O-N 3.35Å; G86-S88 VanDerWaalsContact O-N 3.08Å; S88-F90 PolarHBondContact O-N 2.63Å; S88-F90 WeakPolarHBondContact OG-CD2 3.37Å; S88-F90 WeakPolarHBondContact OG-CE2 3.2Å
89S29.2Very low27.5Very low114 Ų114129.4 Ų129.480%0.79777%0.77SS**  trans-59.786.5158.950.50000108.1S91S89-S91 PolarHBondContact O-N 3.23Å
90F28.6Very low27.6Very low183 Ų183125.9 Ų125.980%0.80376%0.761SS**  trans-82.398.9164.4-99.7-82.2000107.5S88S88-F90 PolarHBondContact O-N 2.63Å; S88-F90 WeakPolarHBondContact OG-CD2 3.37Å; S88-F90 WeakPolarHBondContact OG-CE2 3.2Å
91S26Very low27.5Very low97 Ų97123.1 Ų123.168%0.67876%0.756SS**  trans-53.7139.7165.1-59.50000109.8S89 S93S89-S91 PolarHBondContact O-N 3.23Å; S91-S93 PolarHBondContact O-N 3.4Å; S91-S93 VanDerWaalsContact O-N 3.07Å
92P29Very low27.3Very low125 Ų125121.5 Ų121.581%0.81275%0.748SS**  trans-66.1109.6-17826.2-32.5000109.9T94P92-T94 PolarHBondContact O-N 3.35Å
93S25.8Very low27.2Very low112 Ų112121.6 Ų121.678%0.78376%0.757SS**  trans-72.6105.8168.853.80000108.8S91 D95S91-S93 PolarHBondContact O-N 3.4Å; S91-S93 VanDerWaalsContact O-N 3.07Å; S93-D95 PolarHBondContact O-N 2.8Å
94T25Very low27.3Very low136 Ų136120.4 Ų120.483%0.83476%0.757SS**  trans-64.798.9156.9440000108.4P92P92-T94 PolarHBondContact O-N 3.35Å
95D27Very low27.2Very low139 Ų139123.6 Ų123.674%0.74376%0.757SS**  trans-143.1103.1163.4-115.3-22.7000110.9S93S93-D95 PolarHBondContact O-N 2.8Å
96V28.5Very low27.4Very low117 Ų117125.9 Ų125.971%0.70976%0.759SS**  45.5109.6126.9-176.20000117.7
97H26.3Very low27.4Very low173 Ų173127.2 Ų127.280%0.80176%0.757SS**  trans40.697.2142.3-71.7-67.3000118P99H97-P99 VanDerWaalsContact O-CD 3.31Å; H97-P99 WeakPolarHBondContact O-CD 3.17Å
98D27.4Very low27.6Very low148 Ų148127.8 Ų127.879%0.79175%0.753SS**  trans-105.594.5150.4-137.9-9000109.2V100D98-V100 PolarHBondContact O-N 2.81Å
99P30Very low27.5Very low111 Ų111127 Ų12772%0.72175%0.752SS**  trans-80.667.8172.634.8-33.6000109.4H97 G101H97-P99 VanDerWaalsContact O-CD 3.31Å; H97-P99 WeakPolarHBondContact O-CD 3.17Å; P99-G101 PolarHBondContact O-N 3.37Å
100V30.7Very low27.6Very low108 Ų108128.1 Ų128.166%0.65575%0.749SS**  trans-85.177.8165.7-173.80000107.8D98 N102D98-V100 PolarHBondContact O-N 2.81Å; V100-N102 PolarHBondContact O-N 2.91Å
101G24.9Very low27.5Very low63 Ų63128.1 Ų128.165%0.64975%0.754SS**  trans-64.498.1163.400000109.6P99P99-G101 PolarHBondContact O-N 3.37Å
102N27.5Very low27.5Very low122 Ų122129.6 Ų129.665%0.65275%0.752SS**  trans-123.275.4154.9-93.8-1.5000108.1V100 F104V100-N102 PolarHBondContact O-N 2.91Å; N102-F104 HydrophobicContact CB-CD2 4.35Å; N102-F104 HydrophobicContact CB-CE2 4.46Å; N102-F104 PolarHBondContact O-N 2.9Å
103C26.5Very low27.5Very low126 Ų126128.5 Ų128.585%0.85175%0.745SS**  trans-62.887.4157.6-64.90000108R105C103-R105 PolarHBondContact O-N 3.07Å
104F29.9Very low27.5Very low183 Ų183128.3 Ų128.380%0.80374%0.744SS**  trans-68.987157.3-88.8-84.5000107.3N102 P106N102-F104 HydrophobicContact CB-CD2 4.35Å; N102-F104 HydrophobicContact CB-CE2 4.46Å; N102-F104 PolarHBondContact O-N 2.9Å; F104-P106 WeakPolarHBondContact O-CD 3.19Å
105R25.1Very low27.4Very low223 Ų223127.3 Ų127.384%0.84274%0.738SS**  trans-72.7114.7167-167.5178.9-169.5169.12.4106.4C103 S107C103-R105 PolarHBondContact O-N 3.07Å; R105-S107 PolarHBondContact O-N 3.05Å
106P30.1Very low27.4Very low119 Ų119125.3 Ų125.377%0.77374%0.741SS**  trans-61.5115.6162.8-11.527.3000105.8F104 A108F104-P106 WeakPolarHBondContact O-CD 3.19Å; P106-A108 PolarHBondContact O-N 3.44Å; P106-A108 VanDerWaalsContact O-N 3.16Å
107S25.5Very low27.1Very low100 Ų100129.6 Ų129.670%0.69975%0.745SS**  trans-53.6120.2175.3-169.80000108.2R105 A109R105-S107 PolarHBondContact O-N 3.05Å; S107-A109 PolarHBondContact O-N 2.84Å
108A27.1Very low27.2Very low102 Ų102127.3 Ų127.384%0.84375%0.746SS**  trans-69.369.916200000107.6P106P106-A108 PolarHBondContact O-N 3.44Å; P106-A108 VanDerWaalsContact O-N 3.16Å
109A27.6Very low27.1Very low66 Ų66125.5 Ų125.555%0.54575%0.745SS.*  trans-95.3125.1168.800000107.3S107S107-A109 PolarHBondContact O-N 2.84Å
110D31.9Very low26.9Very low138 Ų138126.2 Ų126.274%0.73875%0.753SS**  trans75.460.7159.2-53-23.9000116.6I112D110-I112 HydrophobicContact CB-CG1 4.39Å; D110-I112 PolarHBondContact O-N 2.89Å
111M24.9Very low26.6Very low183 Ų183124 Ų12490%0.90175%0.752SS**  trans-57.386.7135.1-72.8-175.5-135.200109P113M111-P113 VanDerWaalsContact O-CD 3.27Å; M111-P113 WeakPolarHBondContact O-CD 3.16Å
112I27.7Very low26.7Very low127 Ų127129 Ų12965%0.65176%0.763SS**  trans-99.396.6153.5-57.9176.4000105.2D110 S114D110-I112 HydrophobicContact CB-CG1 4.39Å; D110-I112 PolarHBondContact O-N 2.89Å; I112-S114 VanDerWaalsContact C-N 3.31Å; I112-S114 PolarHBondContact O-N 2.86Å
113P27.2Very low26.7Very low102 Ų102130.6 Ų130.666%0.66278%0.777SS**  trans-66.3100.7166.326.8-28.4000106.1M111 T115M111-P113 VanDerWaalsContact O-CD 3.27Å; M111-P113 WeakPolarHBondContact O-CD 3.16Å; P113-T115 PolarHBondContact O-N 2.77Å
114S27.1Very low26.7Very low108 Ų108127.6 Ų127.676%0.75577%0.767SS**  trans-60.697.2167.7-650000107.6I112 A116I112-S114 VanDerWaalsContact C-N 3.31Å; I112-S114 PolarHBondContact O-N 2.86Å; S114-A116 VanDerWaalsContact C-N 3.26Å; S114-A116 PolarHBondContact O-N 2.89Å
115T23.2Very low26.8Very low116 Ų116125.4 Ų125.471%0.71277%0.769SS**  trans-58.486.7167.734.30000108.7P113 Y117P113-T115 PolarHBondContact O-N 2.77Å; T115-Y117 VanDerWaalsContact C-N 3.3Å; T115-Y117 PolarHBondContact O-N 3.23Å
116A26.5Very low27.1Very low97 Ų97124.3 Ų124.380%0.80277%0.773SS**  trans-68100.2155.300000106.6S114S114-A116 VanDerWaalsContact C-N 3.26Å; S114-A116 PolarHBondContact O-N 2.89Å
117Y21.7Very low27Very low206 Ų206121.5 Ų121.581%0.80877%0.765SS**  trans-43129.5171.3-84.6-102.1000110.6T115 S119T115-Y117 VanDerWaalsContact C-N 3.3Å; T115-Y117 PolarHBondContact O-N 3.23Å; Y117-S119 PolarHBondContact O-N 2.75Å
118P28.8Very low27.2Very low125 Ų125128.1 Ų128.181%0.81278%0.775SS**  trans-67.9105165.426.8-29.5000107.5S120P118-S120 PolarHBondContact O-N 3.09Å; P118-S120 VanDerWaalsContact O-N 3.11Å
119S25.6Very low27.5Very low110 Ų110134.2 Ų134.277%0.76978%0.776SS**  trans-60.2118.8165700000107.1Y117 G121Y117-S119 PolarHBondContact O-N 2.75Å; S119-G121 PolarHBondContact O-N 3.19Å
120S25.5Very low27.8Very low126 Ų126142.1 Ų142.188%0.88179%0.792SS**  trans-55.180.5170.1500000110.8P118P118-S120 PolarHBondContact O-N 3.09Å; P118-S120 VanDerWaalsContact O-N 3.11Å
121G25.3Very low27.7Very low62 Ų62143.6 Ų143.664%0.63980%0.797SS**  trans-91.2130.4169.400000109.1S119S119-G121 PolarHBondContact O-N 3.19Å
122L26.5Very low28.2Very low168 Ų168139.1 Ų139.188%0.8878%0.783SS**  trans-41.8147.3-167.9-8783.6000116.1G124L122-G124 PolarHBondContact O-N 2.97Å
123V27.6Very low28.4Very low156 Ų156139.6 Ų139.695%0.94578%0.784SS**  trans-44.477.7162.3-175.30000111.2
124G26.8Very low28.9Very low62 Ų62141.1 Ų141.164%0.63979%0.787SS**  trans-94.4118.4167.400000107.7L122L122-G124 PolarHBondContact O-N 2.97Å
125T31.3Very low29.2Very low138 Ų138145 Ų14585%0.84779%0.786SS**  trans-15.8128.4171.844.70000115.1G127T125-G127 PolarHBondContact O-N 3.46Å
126Q31.7Very low30Very low200 Ų200147.7 Ų147.794%0.93579%0.791SS**  trans-58.674.6172-70.4179.5-21.300110.9R128Q126-R128 VanDerWaalsContact C-N 3.28Å; Q126-R128 PolarHBondContact O-N 2.85Å
127G27.4Very low30.5Very low59 Ų59149.6 Ų149.661%0.60879%0.792SS**  trans-65.598.4158.700000105.5T125 R129T125-G127 PolarHBondContact O-N 3.46Å; G127-R129 PolarHBondContact O-N 3.08Å
128R30.6Very low31.2Very low239 Ų239143.4 Ų143.490%0.90277%0.773SS**  trans-47.993.4172.6-157.6-179.7-165.4-155.73.7106.9Q126 R130Q126-R128 VanDerWaalsContact C-N 3.28Å; Q126-R128 PolarHBondContact O-N 2.85Å; R128-R130 VanDerWaalsContact C-N 3.28Å; R128-R130 PolarHBondContact O-N 3.08Å
129R32.4Very low31.7Very low230 Ų230139.8 Ų139.887%0.86875%0.75SS**  trans-59.7102.6173.2-73.4-173.7-178-173.60.3104G127 M131G127-R129 PolarHBondContact O-N 3.08Å; R129-M131 PolarHBondContact O-N 3.08Å
130R34Very low32.5Very low233 Ų233139.8 Ų139.888%0.87975%0.748SS**  trans-59.8101.5162-70.8-176.9173.3-145.7-0.2102.6R128 S132R128-R130 VanDerWaalsContact C-N 3.28Å; R128-R130 PolarHBondContact O-N 3.08Å; R130-S132 PolarHBondContact O-N 2.86Å
131M30.1Very low33.5Very low169 Ų169138.2 Ų138.283%0.83373%0.732SS**  trans-55.9100.8160.2-62.2-79.5-79.400102.4R129 M133R129-M131 PolarHBondContact O-N 3.08Å; M131-M133 PolarHBondContact O-N 3.23Å
132S34.7Very low34.6Very low89 Ų89139.8 Ų139.862%0.62272%0.723SS**  trans-57.6102.8156.343.80000102.5R130 D134R130-S132 PolarHBondContact O-N 2.86Å; S132-D134 PolarHBondContact O-N 3.05Å
133M31.8Very low35Very low137 Ų137138.9 Ų138.968%0.67571%0.709SS**  trans-60.5100159.9-93.5-175.5163.700103M131 Y135M131-M133 PolarHBondContact O-N 3.23Å; M133-Y135 HydrophobicContact CB-CD2 4.2Å; M133-Y135 HydrophobicContact CB-CE2 3.91Å; M133-Y135 WeakPolarHBondContact O-CD2 3.25Å; M133-Y135 PolarHBondContact O-N 2.78Å
134D38.6Very low35.7Very low133 Ų133138.5 Ų138.571%0.71170%0.697SS**  trans-62.291.9162.4-63.1-31.5000103.8S132 Q136S132-D134 PolarHBondContact O-N 3.05Å; D134-Q136 PolarHBondContact O-N 2.69Å
135Y34Very low36.6Very low190 Ų190141.1 Ų141.175%0.74569%0.693SS**  trans-63.393168-70.6-86000104.6M133 V137M133-Y135 HydrophobicContact CB-CD2 4.2Å; M133-Y135 HydrophobicContact CB-CE2 3.91Å; M133-Y135 WeakPolarHBondContact O-CD2 3.25Å; M133-Y135 PolarHBondContact O-N 2.78Å; Y135-V137 VanDerWaalsContact C-N 3.28Å; Y135-V137 PolarHBondContact O-N 2.96Å
136Q39.1Very low37.3Very low172 Ų172138 Ų13880%0.80467%0.673SS**  trans-59.4102.9164.6-77.4-178.5-11.800105.2D134 L138D134-Q136 PolarHBondContact O-N 2.69Å; Q136-L138 VanDerWaalsContact C-N 3.28Å; Q136-L138 PolarHBondContact O-N 3.11Å
137V36.9Very low37.8Very low137 Ų137131.3 Ų131.383%0.8365%0.646SS**  trans-63.599.6170.4178.50000104.9Y135 S139Y135-V137 VanDerWaalsContact C-N 3.28Å; Y135-V137 PolarHBondContact O-N 2.96Å; V137-S139 PolarHBondContact O-N 2.82Å
138L36Very low38.4Very low77 Ų77131 Ų13140%0.40364%0.637SS.*  trans-56.2130.2176.1-70.8165.8000107.4Q136 E142 Y143Q136-L138 VanDerWaalsContact C-N 3.28Å; Q136-L138 PolarHBondContact O-N 3.11Å; L138-E142 HydrophobicContact CB-CB 4.19Å; L138-E142 HydrophobicContact CD2-CB 3.88Å; L138-Y143 HydrophobicContact CD1-CD2 4.35Å
139S40.2Very low38.8Very low48 Ų48129.1 Ų129.134%0.33663%0.63SS.*  trans-58.4151.4170.463.20000109.1V137 V141 E142 Y143V137-S139 PolarHBondContact O-N 2.82Å; S139-V141 PolarHBondContact O-N 2.84Å; S139-E142 PolarHBondContact N-OE2 3.17Å; S139-E142 PolarHBondContact O-N 3.49Å; S139-E142 WeakPolarHBondContact OG-CG 3.36Å; S139-E142 PolarHBondContact OG-N 3.41Å; S139-E142 PolarHBondContact OG-OE2 3.39Å; S139-Y143 PolarHBondContact O-N 2.83Å
140P42.3Very low39.1Very low111 Ų111125.5 Ų125.572%0.72162%0.623SS**Hα-helixtrans-51.7-31.8179.4-27.433.9000113.2Q144P140-Q144 WeakPolarHBondContact O-CB 3.27Å; P140-Q144 PolarHBondContact O-N 2.87Å
141V45.8Very low39.2Very low92 Ų92119.5 Ų119.556%0.55861%0.612SS**Hα-helixtrans-69.8-42.2177.7-175.50000111.8S139 Q144 Q145S139-V141 PolarHBondContact O-N 2.84Å; V141-Q144 PolarHBondContact O-N 3.23Å; V141-Q145 PolarHBondContact O-N 3.17Å
142E49.2Very low39.5Very low95 Ų95117.4 Ų117.444%0.44461%0.609SS.*Hα-helixtrans-68.1-39.3175.8-72.1164.9143.600111.3L138 S139 Q144 Q145 V146L138-E142 HydrophobicContact CB-CB 4.19Å; L138-E142 HydrophobicContact CD2-CB 3.88Å; S139-E142 PolarHBondContact N-OE2 3.17Å; S139-E142 PolarHBondContact O-N 3.49Å; S139-E142 WeakPolarHBondContact OG-CG 3.36Å; S139-E142 PolarHBondContact OG-N 3.41Å; S139-E142 PolarHBondContact OG-OE2 3.39Å; E142-Q144 VanDerWaalsContact C-N 3.35Å; E142-Q144 PolarHBondContact O-N 3.22Å; E142-Q145 PolarHBondContact O-N 2.86Å; E142-V146 WeakPolarHBondContact O-CG2 3.12Å; E142-V146 PolarHBondContact O-N 3.34Å
143Y34.8Very low39.5Very low150 Ų150116.3 Ų116.359%0.58861%0.612SS**Hα-helixtrans-62.7-43.1175.1-163.5-95.5000111.3L138 S139 Q145 V146 V147L138-Y143 HydrophobicContact CD1-CD2 4.35Å; S139-Y143 PolarHBondContact O-N 2.83Å; Y143-Q145 VanDerWaalsContact C-N 3.31Å; Y143-Q145 PolarHBondContact O-N 2.76Å; Y143-V146 PolarHBondContact O-N 3.43Å; Y143-V147 HydrophobicContact CD1-CG2 3.78Å; Y143-V147 HydrophobicContact CE1-CG2 3.5Å; Y143-V147 VanDerWaalsContact CE1-CG2 3.5Å; Y143-V147 WeakPolarHBondContact O-CG2 3.27Å; Y143-V147 PolarHBondContact O-N 2.88Å
144Q42.4Very low39.2Very low147 Ų147113.6 Ų113.669%0.68761%0.611SS**Hα-helixtrans-61.1-37.6174.2-113.6177-1.900112.6P140 V141 E142 A148P140-Q144 WeakPolarHBondContact O-CB 3.27Å; P140-Q144 PolarHBondContact O-N 2.87Å; V141-Q144 PolarHBondContact O-N 3.23Å; E142-Q144 VanDerWaalsContact C-N 3.35Å; E142-Q144 PolarHBondContact O-N 3.22Å; Q144-A148 WeakPolarHBondContact O-CB 3.36Å; Q144-A148 PolarHBondContact O-N 2.92Å
145Q45.4Very low39Very low118 Ų118112.5 Ų112.555%0.55161%0.611SS**Hα-helixtrans-69.1-36.2175.3-75.8-17411.500112.9V141 E142 Y143 R149V141-Q145 PolarHBondContact O-N 3.17Å; E142-Q145 PolarHBondContact O-N 2.86Å; Y143-Q145 VanDerWaalsContact C-N 3.31Å; Y143-Q145 PolarHBondContact O-N 2.76Å; Q145-R149 WeakPolarHBondContact O-CB 3.38Å; Q145-R149 WeakPolarHBondContact O-CG 3.48Å; Q145-R149 PolarHBondContact O-N 2.85Å
146V46.8Very low39Very low71 Ų71110.9 Ų110.943%0.4362%0.621SS.*Hα-helixtrans-67.1-47.4175.8175.20000110.2E142 Y143 A148 R149 E150E142-V146 WeakPolarHBondContact O-CG2 3.12Å; E142-V146 PolarHBondContact O-N 3.34Å; Y143-V146 PolarHBondContact O-N 3.43Å; V146-A148 PolarHBondContact O-N 2.9Å; V146-R149 PolarHBondContact O-N 2.92Å; V146-E150 PolarHBondContact O-N 3.32Å
147V41.8Very low38.6Very low60 Ų60106.2 Ų106.236%0.36462%0.619SS.*Hα-helixtrans-67-38.1178.3179.80000111.4Y143 R149 E150 T151Y143-V147 HydrophobicContact CD1-CG2 3.78Å; Y143-V147 HydrophobicContact CE1-CG2 3.5Å; Y143-V147 VanDerWaalsContact CE1-CG2 3.5Å; Y143-V147 WeakPolarHBondContact O-CG2 3.27Å; Y143-V147 PolarHBondContact O-N 2.88Å; V147-R149 VanDerWaalsContact C-N 3.31Å; V147-R149 PolarHBondContact O-N 3.39Å; V147-E150 PolarHBondContact O-N 3.46Å; V147-T151 HydrophobicContact CG1-CG2 4.49Å; V147-T151 PolarHBondContact O-N 3.37Å; V147-T151 PolarHBondContact O-OG1 2.88Å
148A38.6Very low38.3Very low52 Ų52107.6 Ų107.643%0.4362%0.616SS.*Hα-helixtrans-66.2-32.9174.400000112.1Q144 V146 T151 V152Q144-A148 WeakPolarHBondContact O-CB 3.36Å; Q144-A148 PolarHBondContact O-N 2.92Å; V146-A148 PolarHBondContact O-N 2.9Å; A148-T151 WeakPolarHBondContact CA-OG1 3.32Å; A148-T151 PolarHBondContact O-OG1 3.05Å; A148-V152 VanDerWaalsContact O-CG2 3.3Å; A148-V152 WeakPolarHBondContact O-CG2 3.36Å; A148-V152 PolarHBondContact O-N 3.4Å
149R40.5Very low37.8Very low201 Ų201114.5 Ų114.576%0.75864%0.639SS**Hα-helixtrans-73.2-34.6173.7-79.9-177.5175.4-173.21.6112.8Q145 V146 V147Q145-R149 WeakPolarHBondContact O-CB 3.38Å; Q145-R149 WeakPolarHBondContact O-CG 3.48Å; Q145-R149 PolarHBondContact O-N 2.85Å; V146-R149 PolarHBondContact O-N 2.92Å; V147-R149 VanDerWaalsContact C-N 3.31Å; V147-R149 PolarHBondContact O-N 3.39Å
150E38.1Very low37.3Very low154 Ų154117.6 Ų117.672%0.7266%0.657SS**Hα-helixtrans-74.9-28.2176.3-79.6-168.7150.700113.2V146 V147V146-E150 PolarHBondContact O-N 3.32Å; V147-E150 PolarHBondContact O-N 3.46Å
151T35.3Very low36.6Very low106 Ų106123.7 Ų123.765%0.6567%0.666SS**Hα-helixtrans-82.9-15.6-179.844.50000114.1V147 A148 G153V147-T151 HydrophobicContact CG1-CG2 4.49Å; V147-T151 PolarHBondContact O-N 3.37Å; V147-T151 PolarHBondContact O-OG1 2.88Å; A148-T151 WeakPolarHBondContact CA-OG1 3.32Å; A148-T151 PolarHBondContact O-OG1 3.05Å; T151-G153 PolarHBondContact O-N 3.03Å
152V38.2Very low35.8Very low125 Ų125124 Ų12476%0.75867%0.672SS**SBendtrans-93.887.2176.3-176.80000110.3A148A148-V152 VanDerWaalsContact O-CG2 3.3Å; A148-V152 WeakPolarHBondContact O-CG2 3.36Å; A148-V152 PolarHBondContact O-N 3.4Å
153G33.4Very low34.6Very low66 Ų66130.4 Ų130.468%0.6869%0.693SS**SBendtrans110.520.615200000118.4T151 P155T151-G153 PolarHBondContact O-N 3.03Å; G153-P155 WeakPolarHBondContact O-CD 3.36Å
154A25.6Very low34.2Very low81 Ų81130.4 Ų130.467%0.66970%0.702SS**  trans-85104.9164.200000109.6V156A154-V156 PolarHBondContact O-N 3.02Å; A154-V156 VanDerWaalsContact O-N 3.1Å
155P34.4Very low33.4Very low109 Ų109133.9 Ų133.971%0.70871%0.709SS**  trans-58120.6171.222.7-31.7000109.3G153 G157G153-P155 WeakPolarHBondContact O-CD 3.36Å; P155-G157 PolarHBondContact O-N 3.39Å
156V34.7Very low32.4Very low157 Ų157134.4 Ų134.495%0.95272%0.72SS**THydrogen-bonded Turntrans-48.2104172-1770000108.4A154A154-V156 PolarHBondContact O-N 3.02Å; A154-V156 VanDerWaalsContact O-N 3.1Å
157G30.7Very low31.4Very low74 Ų74139 Ų13976%0.76373%0.734SS**THydrogen-bonded Turntrans137.2-4.4172.700000117.7P155P155-G157 PolarHBondContact O-N 3.39Å
158Q30Very low30.7Very low166 Ų166141.5 Ų141.578%0.77675%0.752SS**  trans-126.984.6168.3-68.5-174.413.400109.6P160Q158-P160 VanDerWaalsContact O-CD 3.25Å; Q158-P160 WeakPolarHBondContact O-CD 3.19Å
159Y25Very low30.1Very low222 Ų222146.5 Ų146.587%0.87177%0.771SS**  trans-51.1119.6148.9-77.9-82.2000105.6R161Y159-R161 VanDerWaalsContact C-N 3.31Å; Y159-R161 PolarHBondContact O-N 3.05Å
160P30.7Very low29.4Very low112 Ų112144.3 Ų144.373%0.72777%0.769SS**  trans-57.4111.1170.723-29000104Q158 S162Q158-P160 VanDerWaalsContact O-CD 3.25Å; Q158-P160 WeakPolarHBondContact O-CD 3.19Å; P160-S162 PolarHBondContact O-N 3.39Å
161R27.6Very low28.8Very low239 Ų239143.6 Ų143.690%0.90278%0.775SS**  trans-52.894.1152.6-85.6179.4161.5163.8-4.4102.7Y159 R163Y159-R161 VanDerWaalsContact C-N 3.31Å; Y159-R161 PolarHBondContact O-N 3.05Å; R161-R163 PolarHBondContact O-N 2.7Å
162S28.2Very low28.5Very low99 Ų99145.4 Ų145.469%0.69278%0.776SS**  trans-54.991.6156.948.20000102.6P160 L164P160-S162 PolarHBondContact O-N 3.39Å; S162-L164 PolarHBondContact O-N 3.27Å
163R25Very low28Very low230 Ų230146.5 Ų146.587%0.86878%0.778SS**  trans-48.695.1146.7-80.2-178.8169.3167.8-2.7101.6R161 R165R161-R163 PolarHBondContact O-N 2.7Å; R163-R165 PolarHBondContact O-N 3.18Å
164L26.6Very low27.5Very low150 Ų150149.5 Ų149.579%0.78578%0.783SS**  trans-42.1106.1151-86.1152.1000102.1S162 T166S162-L164 PolarHBondContact O-N 3.27Å; L164-T166 PolarHBondContact O-N 2.99Å; L164-T166 PolarHBondContact O-OG1 3.46Å
165R24.3Very low27.7Very low220 Ų220150.7 Ų150.783%0.8378%0.783SS**  trans-59.792.2164.1-90.4-176.7171.9167.8-1.9101.6R163 F167R163-R165 PolarHBondContact O-N 3.18Å; R165-F167 PolarHBondContact O-N 2.72Å
166T25.1Very low27.3Very low128 Ų128154.3 Ų154.379%0.78579%0.791SS**  trans-55.796.6160.8-32.60000101.9L164L164-T166 PolarHBondContact O-N 2.99Å; L164-T166 PolarHBondContact O-OG1 3.46Å
167F24.7Very low27.1Very low167 Ų167155.4 Ų155.473%0.73279%0.786SS**  trans-49.7128.7159.1-76.1-87.6000104.3R165 L169R165-F167 PolarHBondContact O-N 2.72Å; F167-L169 PolarHBondContact O-N 2.79Å
168P27.5Very low26.9Very low114 Ų114156.4 Ų156.474%0.7479%0.787SS**  trans-60.196.116825-29.3000104.7E170P168-E170 PolarHBondContact O-N 2.71Å
169L26.7Very low26.8Very low157 Ų157152.9 Ų152.982%0.82278%0.781SS**  trans-65.3102.1162.7-147.379.6000101.9F167 T171F167-L169 PolarHBondContact O-N 2.79Å; L169-T171 PolarHBondContact O-N 3.5Å
170E25.5Very low26.9Very low155 Ų155146.7 Ų146.772%0.72478%0.775SS**  trans-40.5114.7175-83.1172.2129.900107.3P168 H172P168-E170 PolarHBondContact O-N 2.71Å; E170-H172 PolarHBondContact O-N 2.81Å
171T26.5Very low26.6Very low138 Ų138153.2 Ų153.285%0.84779%0.786SS**  trans-67.672.2172.346.90000106.9L169 D173L169-T171 PolarHBondContact O-N 3.5Å; T171-D173 VanDerWaalsContact C-N 3.3Å; T171-D173 PolarHBondContact O-N 3.08Å; T171-D173 VanDerWaalsContact O-N 3.12Å
172H27.5Very low26.5Very low144 Ų144150.3 Ų150.367%0.66778%0.782SS**  trans-75.197160.7-84.7-59.8000106.6E170 V174E170-H172 PolarHBondContact O-N 2.81Å; H172-V174 PolarHBondContact O-N 2.75Å; H172-V174 VanDerWaalsContact O-N 3.08Å
173D28.9Very low26.3Very low149 Ų149151.3 Ų151.380%0.79779%0.788SS**  trans16.882.5154.7-69.7-47.7000114.2T171 P175T171-D173 VanDerWaalsContact C-N 3.3Å; T171-D173 PolarHBondContact O-N 3.08Å; T171-D173 VanDerWaalsContact O-N 3.12Å; D173-P175 WeakPolarHBondContact O-CD 3.45Å
174V23.1Very low26.2Very low129 Ų129148.6 Ų148.678%0.78279%0.785SS**  trans-72.9111.4157179.40000105.3H172 Q176H172-V174 PolarHBondContact O-N 2.75Å; H172-V174 VanDerWaalsContact O-N 3.08Å; V174-Q176 PolarHBondContact O-N 2.76Å
175P28.8Very low26.1Very low105 Ų105150 Ų15068%0.68279%0.787SS**  trans-57.6119.6175.421.9-30.5000108.5D173 Q177D173-P175 WeakPolarHBondContact O-CD 3.45Å; P175-Q177 PolarHBondContact O-N 2.86Å
176Q26.8Very low26.2Very low186 Ų186143.9 Ų143.987%0.86978%0.779SS**SBendtrans-50.7131.1165-66.7178.8-11.400107.3V174V174-Q176 PolarHBondContact O-N 2.76Å
177Q29.4Very low26.2Very low179 Ų179143.7 Ų143.784%0.83678%0.778SS**  trans92.852-176.5-50.5178.5-7.100116.8P175 S179P175-Q177 PolarHBondContact O-N 2.86Å; Q177-S179 PolarHBondContact O-N 2.91Å
178A26.7Very low26.3Very low95 Ų95141.5 Ų141.579%0.78578%0.778SS**  trans-86.775.814300000108.2A180A178-A180 PolarHBondContact O-N 2.77Å
179S27.9Very low26.3Very low93 Ų93144 Ų14465%0.6578%0.784SS**  trans-47.4132.9169.5-54.70000109.2Q177 W181Q177-S179 PolarHBondContact O-N 2.91Å; S179-W181 PolarHBondContact O-N 2.85Å; S179-W181 VanDerWaalsContact O-N 3.13Å
180A26.9Very low26.3Very low92 Ų92140.3 Ų140.376%0.7677%0.771SS**  trans-39.1123.4173.100000109.4A178 Q182A178-A180 PolarHBondContact O-N 2.77Å; A180-Q182 VanDerWaalsContact C-N 3.27Å; A180-Q182 PolarHBondContact O-N 2.94Å
181W25.3Very low26.4Very low248 Ų248138.8 Ų138.894%0.93978%0.775SS**  trans-46.592.6177.5-75.576.5000109.7S179 C183S179-W181 PolarHBondContact O-N 2.85Å; S179-W181 VanDerWaalsContact O-N 3.13Å; W181-C183 PolarHBondContact O-N 2.79Å
182Q24.8Very low26.6Very low178 Ų178140.1 Ų140.183%0.83277%0.771SS**  trans-66.8105.4161.3-96.6177.9-2200104.5A180 Q184A180-Q182 VanDerWaalsContact C-N 3.27Å; A180-Q182 PolarHBondContact O-N 2.94Å; Q182-Q184 VanDerWaalsContact C-N 3.26Å; Q182-Q184 PolarHBondContact O-N 2.93Å
183C24.2Very low26.6Very low120 Ų120138.6 Ų138.681%0.81178%0.776SS**  trans-51.6100.1162.7-67.90000107W181 Q185W181-C183 PolarHBondContact O-N 2.79Å; C183-Q185 PolarHBondContact O-N 2.81Å
184Q23.9Very low26.6Very low173 Ų173136.2 Ų136.281%0.80878%0.777SS**  trans-58.8114.1170.2-85.3-163.1-36.700106.7Q182 S186Q182-Q184 VanDerWaalsContact C-N 3.26Å; Q182-Q184 PolarHBondContact O-N 2.93Å; Q184-S186 PolarHBondContact O-N 2.71Å
185Q24.5Very low26.7Very low179 Ų179141.2 Ų141.284%0.83678%0.782SS**  trans-63.582.4164.3-71.8177.4-18.300107.3C183 T187C183-Q185 PolarHBondContact O-N 2.81Å; Q185-T187 PolarHBondContact O-N 2.92Å; Q185-T187 PolarHBondContact O-OG1 2.88Å
186S26Very low26.7Very low93 Ų93142.2 Ų142.265%0.6579%0.787SS**  trans-74.485167.4-63.80000107.7Q184 V188Q184-S186 PolarHBondContact O-N 2.71Å; S186-V188 PolarHBondContact O-N 2.79Å
187T25.3Very low26.7Very low124 Ų124139.5 Ų139.576%0.76178%0.782SS**  trans-60.870.5156.322.90000109Q185 L189Q185-T187 PolarHBondContact O-N 2.92Å; Q185-T187 PolarHBondContact O-OG1 2.88Å; T187-L189 PolarHBondContact O-N 3.11Å
188V27Very low26.7Very low121 Ų121136 Ų13673%0.73378%0.775SS**  trans-94.785.3163.5-176.60000107S186 S190S186-V188 PolarHBondContact O-N 2.79Å; V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 2.76Å
189L26.8Very low26.9Very low166 Ų166141.7 Ų141.787%0.86978%0.782SS**  trans-5795.1157.8-75.4148.7000107.9T187T187-L189 PolarHBondContact O-N 3.11Å
190S25.8Very low26.9Very low80 Ų80149 Ų14956%0.55980%0.796SS**  trans-123111.6159-166.50000109.1V188 H192V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 2.76Å; S190-H192 PolarHBondContact O-N 3.07Å; S190-H192 VanDerWaalsContact O-N 3.08Å
191P28.8Very low27Very low123 Ų123148.5 Ų148.580%0.79979%0.792SS**  trans-81.289.3-177.332.3-29.9000107.8
192H29.7Very low27.2Very low166 Ų166143.5 Ų143.577%0.76979%0.789SS**  trans-11698.9172.4-84.336.3000110.7S190S190-H192 PolarHBondContact O-N 3.07Å; S190-H192 VanDerWaalsContact O-N 3.08Å
193S28.4Very low27.5Very low111 Ų111144.3 Ų144.378%0.77679%0.79SS**  trans58.5103.9140.5-1530000116.4R195S193-R195 VanDerWaalsContact C-N 3.28Å; S193-R195 PolarHBondContact O-N 3.33Å
194A27.9Very low27.7Very low99 Ų99143.7 Ų143.782%0.81879%0.786SS**  trans-51.789.216400000110.6T196A194-T196 PolarHBondContact O-N 2.83Å
195R26.7Very low28.2Very low234 Ų234141.2 Ų141.288%0.88379%0.785SS**  trans-82.694.9165.6-159.1173-171.1174.52.1107.2S193 V197S193-R195 VanDerWaalsContact C-N 3.28Å; S193-R195 PolarHBondContact O-N 3.33Å; R195-V197 PolarHBondContact O-N 2.81Å
196T27.7Very low28.4Very low127 Ų127138.8 Ų138.878%0.77978%0.783SS**  trans-46105.4172.9-35.40000109.8A194 P198A194-T196 PolarHBondContact O-N 2.83Å; T196-P198 WeakPolarHBondContact O-CD 3.21Å
197V26Very low28.7Very low128 Ų128140 Ų14078%0.77679%0.789SS**  trans-75.7118.5168.4-176.60000106.6R195 K199R195-V197 PolarHBondContact O-N 2.81Å; V197-K199 PolarHBondContact O-N 2.93Å
198P31.3Very low28.9Very low106 Ų106138.2 Ų138.269%0.68879%0.787SS**  trans-63.5127178.523.7-30.1000109.4T196 R200T196-P198 WeakPolarHBondContact O-CD 3.21Å; P198-R200 VanDerWaalsContact C-N 3.28Å; P198-R200 PolarHBondContact O-N 3.44Å
199K29.4Very low28.9Very low214 Ų214139.3 Ų139.393%0.9379%0.794SS**  trans-57.488.4168-71.2177.3176.5177.70108.8V197V197-K199 PolarHBondContact O-N 2.93Å
200R29.3Very low28.8Very low246 Ų246137.6 Ų137.693%0.92879%0.79SS**  trans-85122.5165.2-110.4-175.7-176.2-1681.9108.6P198P198-R200 VanDerWaalsContact C-N 3.28Å; P198-R200 PolarHBondContact O-N 3.44Å
201A28.9Very low28.9Very low83 Ų83137.6 Ų137.669%0.68679%0.79SS**  trans-48.9138-175.700000112.7K203A201-K203 PolarHBondContact O-N 3.02Å
202T29.4Very low28.9Very low142 Ų142136.4 Ų136.487%0.87179%0.791SS**  trans-24.991.3150.348.60000113.1
203K30.4Very low28.8Very low196 Ų196135.7 Ų135.785%0.85279%0.792SS**  trans-115.396.9143.7-79-174.9176.5-176.10104.4A201 P205A201-K203 PolarHBondContact O-N 3.02Å; K203-P205 WeakPolarHBondContact O-CD 3.09Å
204S27.8Very low28.7Very low106 Ų106134 Ų13474%0.74178%0.78SS**PPolyproline II helixtrans-49.1122.6164.945.40000107.2T206S204-T206 PolarHBondContact O-N 2.9Å; S204-T206 VanDerWaalsContact O-N 3.1Å
205P35.6Very low28.6Very low121 Ų121135.3 Ų135.379%0.78678%0.781SS**PPolyproline II helixtrans-58.6120.5170.523.4-29.6000106.9K203K203-P205 WeakPolarHBondContact O-CD 3.09Å
206T27.8Very low28.8Very low129 Ų129131.2 Ų131.279%0.79178%0.776SS**PPolyproline II helixtrans-48.4127.2168.2-0.90000107.6S204 A208S204-T206 PolarHBondContact O-N 2.9Å; S204-T206 VanDerWaalsContact O-N 3.1Å; T206-A208 PolarHBondContact O-N 3.18Å; T206-A208 VanDerWaalsContact O-N 3.12Å
207P31.7Very low28.8Very low118 Ų118133.4 Ų133.477%0.76678%0.782SS**PPolyproline II helixtrans-55.9122.5176.5-19.630.3000108.1T209P207-T209 PolarHBondContact O-N 2.92Å; P207-T209 VanDerWaalsContact O-N 3.09Å
208A30.2Very low28.9Very low87 Ų87133.2 Ų133.272%0.71978%0.78SS**PPolyproline II helixtrans-55.7119.6169.300000107.2T206 V210T206-A208 PolarHBondContact O-N 3.18Å; T206-A208 VanDerWaalsContact O-N 3.12Å; A208-V210 VanDerWaalsContact C-N 3.3Å; A208-V210 PolarHBondContact O-N 2.96Å
209T26.7Very low28.7Very low143 Ų143131.1 Ų131.188%0.87778%0.778SS**  trans-5894169.628.20000108P207 S211P207-T209 PolarHBondContact O-N 2.92Å; P207-T209 VanDerWaalsContact O-N 3.09Å; T209-S211 PolarHBondContact O-N 2.7Å
210V25.9Very low28.5Very low131 Ų131128.1 Ų128.179%0.79477%0.771SS**  trans-74.1107.1169-177.90000106.1A208 A212A208-V210 VanDerWaalsContact C-N 3.3Å; A208-V210 PolarHBondContact O-N 2.96Å; V210-A212 PolarHBondContact O-N 2.93Å
211S28Very low28.4Very low80 Ų80123.6 Ų123.656%0.55976%0.764SS**  trans-42121.5172.31690000110.9T209 N213T209-S211 PolarHBondContact O-N 2.7Å; S211-N213 PolarHBondContact O-N 3.15Å
212A28.1Very low28.3Very low98 Ų98127.3 Ų127.381%0.8177%0.772SS**SBendtrans-7419.8179.900000113.9V210V210-A212 PolarHBondContact O-N 2.93Å
213N28.2Very low28.2Very low151 Ų151128.2 Ų128.281%0.80777%0.766SS**  trans-96.418.9-174.9-73.8-3000114.4S211S211-N213 PolarHBondContact O-N 3.15Å
214S25Very low27.9Very low75 Ų75124.3 Ų124.352%0.52476%0.764SS.*SBendtrans-123.5119.916860.50000109.7L216S214-L216 VanDerWaalsContact C-N 3.33Å; S214-L216 PolarHBondContact O-N 3.2Å
215P27.3Very low27.9Very low127 Ų127124.2 Ų124.283%0.82576%0.763SS**  trans-62.999.2170.826.4-31.4000107.5L217P215-L217 PolarHBondContact O-N 3.26Å
216L29.5Very low27.3Very low148 Ų148122 Ų12278%0.77576%0.763SS**  trans-64.8105.1166.9-79.1166.7000105.8S214 V218S214-L216 VanDerWaalsContact C-N 3.33Å; S214-L216 PolarHBondContact O-N 3.2Å; L216-V218 VanDerWaalsContact C-N 3.27Å; L216-V218 PolarHBondContact O-N 3.47Å
217L28.8Very low27.3Very low173 Ų173123.8 Ų123.891%0.90677%0.765SS**  trans-47.198.5159.9-90.3151.3000107.4P215 G219P215-L217 PolarHBondContact O-N 3.26Å; L217-G219 PolarHBondContact O-N 3.08Å
218V27.6Very low27Very low124 Ų124121.1 Ų121.175%0.75276%0.759SS**  trans-69.883.9167.3179.10000105.5L216 L220L216-V218 VanDerWaalsContact C-N 3.27Å; L216-V218 PolarHBondContact O-N 3.47Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 HydrophobicContact CG1-CG 4.48Å; V218-L220 PolarHBondContact O-N 3.36Å
219G26.2Very low26.7Very low61 Ų61122 Ų12263%0.62977%0.767SS**  trans-62.8100.8162.600000107L217 L221L217-G219 PolarHBondContact O-N 3.08Å; G219-L221 PolarHBondContact O-N 2.84Å
220L26.9Very low26.7Very low152 Ų152118.8 Ų118.880%0.79676%0.762SS**  trans-64.878163.6-80160.9000107.8V218 L222V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 HydrophobicContact CG1-CG 4.48Å; V218-L220 PolarHBondContact O-N 3.36Å; L220-L222 PolarHBondContact O-N 2.91Å
221L26.5Very low26.7Very low150 Ų150123.5 Ų123.579%0.78577%0.765SS**  trans-66.889.6158.8-102147.5000106G219 Q223G219-L221 PolarHBondContact O-N 2.84Å; L221-Q223 PolarHBondContact O-N 3.16Å
222L27.7Very low26.6Very low161 Ų161124.3 Ų124.384%0.84377%0.771SS**  trans-60.181.9158.6-79.8153.9000107.1L220 S224L220-L222 PolarHBondContact O-N 2.91Å; L222-S224 PolarHBondContact O-N 3.08Å
223Q26.4Very low26.5Very low162 Ų162126.8 Ų126.876%0.75777%0.77SS**  trans-64.994.9161.7-80-177.2-14.300106L221 S225L221-Q223 PolarHBondContact O-N 3.16Å; Q223-S225 PolarHBondContact O-N 2.96Å
224S25.1Very low26.5Very low114 Ų114125 Ų12580%0.79777%0.767SS**  trans-55.593.7159.554.10000106.9L222 G226L222-S224 PolarHBondContact O-N 3.08Å; S224-G226 VanDerWaalsContact C-N 3.3Å; S224-G226 PolarHBondContact O-N 2.99Å
225S26Very low26.7Very low104 Ų104128.5 Ų128.573%0.72778%0.779SS**  trans-56100.5166.8-67.20000106.7Q223 I227Q223-S225 PolarHBondContact O-N 2.96Å; S225-I227 VanDerWaalsContact C-N 3.26Å; S225-I227 PolarHBondContact O-N 2.71Å
226G24.8Very low26.8Very low75 Ų75128.8 Ų128.877%0.77377%0.773SS**  trans-58.497.316400000107.1S224 G228S224-G226 VanDerWaalsContact C-N 3.3Å; S224-G226 PolarHBondContact O-N 2.99Å; G226-G228 PolarHBondContact O-N 2.9Å
227I26.9Very low26.7Very low165 Ų165128.8 Ų128.885%0.84678%0.779SS**  trans-63.4105.8168.6-73.9167.2000105.3S225S225-I227 VanDerWaalsContact C-N 3.26Å; S225-I227 PolarHBondContact O-N 2.71Å
228G25.5Very low26.8Very low62 Ų62127.1 Ų127.164%0.63977%0.771SS**  trans-52.9144.1177.200000110.9G226 G230G226-G228 PolarHBondContact O-N 2.9Å; G228-G230 VanDerWaalsContact C-N 3.33Å; G228-G230 PolarHBondContact O-N 2.95Å
229A24.7Very low26.7Very low107 Ų107124.3 Ų124.388%0.88477%0.767SS**  trans-50.188.5174.900000112.3R231A229-R231 PolarHBondContact O-N 3.42Å
230G26.2Very low26.9Very low74 Ų74129.6 Ų129.676%0.76378%0.78SS**  trans-84.798165.200000109G228G228-G230 VanDerWaalsContact C-N 3.33Å; G228-G230 PolarHBondContact O-N 2.95Å
231R26.1Very low26.8Very low231 Ų231128.8 Ų128.887%0.87278%0.776SS**  trans-49.8140.7172.8-73.3169.1152.2-177.6-7.7112.3A229A229-R231 PolarHBondContact O-N 3.42Å
232S26.1Very low27.1Very low97 Ų97127.6 Ų127.668%0.67878%0.777SS**  trans56.8102.5147.361.40000118.6
233N24.8Very low27Very low149 Ų149125.5 Ų125.580%0.79777%0.772SS**  trans-143.589.8132.1-107.7-15.2000108.9L235N233-L235 VanDerWaalsContact C-N 3.34Å; N233-L235 PolarHBondContact O-N 2.93Å; N233-L235 VanDerWaalsContact O-N 3.09Å
234P27.9Very low27.2Very low114 Ų114122.5 Ų122.574%0.7478%0.775SS**  trans-76.588.3168.631.9-29.1000108.3L236P234-L236 PolarHBondContact O-N 3.01Å
235L29.9Very low27.4Very low148 Ų148121 Ų12178%0.77578%0.776SS**  trans-81.9101.5166.3-76.5173.6000108.6N233N233-L235 VanDerWaalsContact C-N 3.34Å; N233-L235 PolarHBondContact O-N 2.93Å; N233-L235 VanDerWaalsContact O-N 3.09Å
236L29Very low27.4Very low134 Ų134127.7 Ų127.770%0.70279%0.786SS**  trans16.2106.4157.3-77.884.1000116.7P234 D238P234-L236 PolarHBondContact O-N 3.01Å; L236-D238 PolarHBondContact O-N 3.3Å
237V26.9Very low27.5Very low148 Ų148131 Ų13190%0.89778%0.784SS**  trans-8088.5150.6177.80000106.5
238D31.6Very low27.7Very low138 Ų138127.8 Ų127.874%0.73878%0.782SS**  trans-96.9115.4163.2-100.7-24.7000108.5L236L236-D238 PolarHBondContact O-N 3.3Å
239G25Very low27.7Very low64 Ų64132 Ų13266%0.6679%0.79SS**  trans-68.2133.6-175.700000112.5
240L30.4Very low27.9Very low173 Ų173132.1 Ų132.191%0.90679%0.785SS**  trans-133.783.1152.4-70.2175.5000107P242L240-P242 WeakPolarHBondContact O-CD 3.07Å
241N24.9Very low28Very low134 Ų134133.5 Ų133.572%0.71778%0.783SS**  trans-96.9100.8163.1-173.1-7000107.3T243N241-T243 VanDerWaalsContact C-N 3.26Å; N241-T243 PolarHBondContact O-N 2.9Å; N241-T243 PolarHBondContact OD1-OG1 2.88Å
242P32.3Very low27.8Very low125 Ų125128.7 Ų128.781%0.81278%0.778SS**  trans-83.274177.734.7-31.6000108.9L240L240-P242 WeakPolarHBondContact O-CD 3.07Å
243T27.4Very low27.9Very low118 Ų118131.8 Ų131.872%0.72479%0.786SS**  trans-119.270.9171.1-46.30000109.5N241N241-T243 VanDerWaalsContact C-N 3.26Å; N241-T243 PolarHBondContact O-N 2.9Å; N241-T243 PolarHBondContact OD1-OG1 2.88Å
244A29.6Very low27.9Very low99 Ų99129.2 Ų129.282%0.81879%0.786SS**  trans-155.253.8171.800000111.9
245G29.1Very low27.9Very low81 Ų81132.6 Ų132.684%0.83579%0.792SS**  trans-103.697.8165.600000109.3
246R27.2Very low27.8Very low245 Ų245131.5 Ų131.593%0.92579%0.791SS**  trans-62.4144.9-178.4-76.2178.7174.4-171.9-1.8112.4A248R246-A248 PolarHBondContact O-N 2.8Å
247I25.6Very low28Very low145 Ų145132.8 Ų132.874%0.74480%0.799SS**  trans-43119.4166.2-60.2156.6000111N249I247-N249 WeakPolarHBondContact CG2-OD1 3.49Å
248A31.3Very low28Very low97 Ų97137.4 Ų137.480%0.80280%0.8SS**  trans-106.9103.1158.800000107.5R246 S250R246-A248 PolarHBondContact O-N 2.8Å; A248-S250 PolarHBondContact O-N 2.81Å
249N26.2Very low27.8Very low152 Ų152133.6 Ų133.681%0.81379%0.794SS**  trans-76.1112.2164.9-70.4-32.1000107.8I247I247-N249 WeakPolarHBondContact CG2-OD1 3.49Å
250S29.3Very low28.1Very low109 Ų109137.3 Ų137.376%0.76280%0.799SS**  trans-156.4125151.762.20000111.7A248A248-S250 PolarHBondContact O-N 2.81Å
251S26.8Very low28.1Very low103 Ų103136.4 Ų136.472%0.7280%0.8SS**  trans-38.5141.3169.449.60000117.7
252V22.8Very low28.4Very low129 Ų129137.7 Ų137.778%0.78280%0.799SS**  57.2112.1128.1-173.80000118.1
253L28.5Very low28.4Very low162 Ų162138.3 Ų138.385%0.84880%0.796SS**  -165.4124120.2-106.2150.2000109.3
254A24.7Very low28.6Very low95 Ų95141.2 Ų141.279%0.78581%0.806SS**  trans-75.6121.5165.800000107.8
255E28.3Very low28.6Very low185 Ų185142 Ų14286%0.86480%0.801SS**  trans-147.1130.6153.5-134168.6-17600110.7
256T27.5Very low28.7Very low125 Ų125144.1 Ų144.177%0.76780%0.803SS**  trans-61.1125.3-177.7-370000110.4
257D32.3Very low28.8Very low162 Ų162138.9 Ų138.987%0.86680%0.798SS**  trans-141.694.1152.1-130.4-13.7000110.5G259D257-G259 PolarHBondContact O-N 2.86Å
258R27.4Very low29.1Very low244 Ų244135.9 Ų135.992%0.92180%0.795SS**  trans-77.697.6163-84.5-175.7169.5-172.8-2.1106.3
259G27.4Very low29Very low59 Ų59135.5 Ų135.561%0.60879%0.791SS**  trans-139.5104.3176.700000112D257D257-G259 PolarHBondContact O-N 2.86Å
260D31.4Very low29.2Very low142 Ų142136.3 Ų136.376%0.75980%0.795SS**  trans62.496.8149-66.8-25.3000120.8K262D260-K262 PolarHBondContact O-N 2.87Å
261V29.6Very low29.4Very low153 Ų153139.9 Ų139.993%0.92780%0.799SS**  trans-68101.5150.6-171.30000108.3
262K32.5Very low29.7Very low162 Ų162144.5 Ų144.570%0.70481%0.806SS**  trans-136.7128.3164.8-82.8-175.2179.81670112.4D260D260-K262 PolarHBondContact O-N 2.87Å
263D31.7Very low30.4Very low137 Ų137144.5 Ų144.573%0.73381%0.809SS**  trans74.570.4150.2-56.1-23.3000118.9T265D263-T265 PolarHBondContact O-N 2.89Å
264L31.1Very low30.7Very low179 Ų179146.9 Ų146.994%0.93781%0.813SS**  trans-74.882.8147.2-76.9163.7000110
265T30Very low31.1Very low117 Ų117154.3 Ų154.372%0.71882%0.82SS**  trans-157.782158.915.10000110.9D263D263-T265 PolarHBondContact O-N 2.89Å
266S30.7Very low31.8Very low124 Ų124150.2 Ų150.287%0.86781%0.812SS**  trans-12393.3164.9-68.90000109A268S266-A268 PolarHBondContact O-N 2.84Å
267V30Very low32.2Very low136 Ų136156 Ų15682%0.82482%0.82SS**  trans-64.8110.3169.9175.60000108.5
268A31.2Very low32.4Very low82 Ų82155.5 Ų155.568%0.67882%0.817SS**  trans-116.281.4164.500000109S266 L270S266-A268 PolarHBondContact O-N 2.84Å; A268-L270 VanDerWaalsContact C-N 3.31Å; A268-L270 PolarHBondContact O-N 2.86Å
269A28.8Very low32.8Very low89 Ų89149.2 Ų149.274%0.73681%0.811SS**  trans-68.586.8165.600000109.2
270L32.2Very low33.1Very low168 Ų168150.2 Ų150.288%0.8882%0.821SS**PPolyproline II helixtrans-84.5116.4174-81.6165.4000110.4A268A268-L270 VanDerWaalsContact C-N 3.31Å; A268-L270 PolarHBondContact O-N 2.86Å
271Q32.5Very low33.1Very low184 Ų184149.9 Ų149.986%0.8682%0.824SS**PPolyproline II helixtrans-55.3136.9-172.5-72162.8-23.100114.1
272K32.8Very low33.6Very low200 Ų200154.3 Ų154.387%0.8782%0.824SS**PPolyproline II helixtrans-63.1132.9166.3-72.9178.2178.2175.90110.4K274K272-K274 PolarHBondContact O-N 2.89Å
273P37.8Very low33.9Very low129 Ų129156.8 Ų156.884%0.83884%0.835SS**PPolyproline II helixtrans-65.7130.4176.1-17.930000112.2
274K34.9Very low34Very low212 Ų212153.7 Ų153.792%0.92284%0.836SS**PPolyproline II helixtrans-62.5132.4172.7-90.8171.9172.4170.10111.2K272K272-K274 PolarHBondContact O-N 2.89Å
275R33.8Very low34.3Very low252 Ų252150.7 Ų150.795%0.95183%0.827SS**PPolyproline II helixtrans-54.9133.4168.8-87.4178.1168177.7-4.1111.8
276S42.2Very low34.6Very low99 Ų99154.7 Ų154.769%0.69284%0.837SS**PPolyproline II helixtrans-78124.4164.8166.80000110.4N278S276-N278 PolarHBondContact OG-OD1 2.8Å
277R35.5Very low34.8Very low245 Ų245157.5 Ų157.593%0.92583%0.834SS**  trans-81.2103.8165.3-91.1177.4165.9163.5-4.2107.7
278N37.5Very low35.1Very low152 Ų152161.5 Ų161.581%0.81383%0.834SS**  trans-98.9104.6161.7-84.93.1000109.6S276S276-N278 PolarHBondContact OG-OD1 2.8Å
279S34.9Very low35.3Very low113 Ų113164.3 Ų164.379%0.7984%0.837SS**  trans-64.3117.9164.749.80000110.6
280G35.2Very low35.5Very low80 Ų80171.8 Ų171.883%0.82585%0.846SS**  trans-12186.5169.800000110.5
281T31.3Very low35.6Very low134 Ų134169.5 Ų169.582%0.82284%0.844SS**  trans-74.6113.8174.233.70000111.6
282R38.9Very low35.6Very low246 Ų246169.3 Ų169.393%0.92884%0.841SS**  trans-147.687.9154.8-86.9-168.9175.1-168.6-1.4110.1
283K38.8Very low35.8Very low215 Ų215171.6 Ų171.694%0.93584%0.844SS**  trans-130.4101.7154.4-76.8-161.7176.2-174.20107.8
284G34.1Very low35.4Very low72 Ų72172.2 Ų172.274%0.74284%0.84SS**  trans-73.814717100000110.6
285P36.6Very low35.3Very low115 Ų115166 Ų16675%0.74784%0.835SS**  trans-95111.9-172.534-29.6000112K287P285-K287 PolarHBondContact O-N 2.72Å
286E37.1Very low35Very low201 Ų201159.6 Ų159.694%0.93983%0.825SS**  trans-87.194.2161.1-75.1-167158.400109.5
287K35.7Very low34.2Very low183 Ų183162 Ų16280%0.79683%0.829SS**  trans-75.5135.8156.2-63.1-179.2178.7179.40107P285P285-K287 PolarHBondContact O-N 2.72Å
288R34.7Very low34Very low221 Ų221157.4 Ų157.483%0.83483%0.829SS**  179.4127.9127.3-96.4166.699.51795.2114
289L36.9Very low33.3Very low140 Ų140156.5 Ų156.573%0.73383%0.829SS**  trans76.592.5139.3-59.2169.9000119.1
290R32.6Very low33.1Very low247 Ų247155.6 Ų155.693%0.93283%0.828SS**  trans-43128.3145.4-65.6172.2162.8121.2-1.9111.2
291S33.5Very low32.7Very low120 Ų120157.2 Ų157.284%0.83982%0.824SS**  trans-113.5112.2155.5-174.90000107.5
292K33.5Very low32.3Very low180 Ų180158.8 Ų158.878%0.78383%0.827SS**  trans-68.8135171.5-74.2-176.7169.4-171.60108.4
293R35.6Very low31.9Very low248 Ų248153 Ų15394%0.93682%0.821SS**  trans-128.5116.3153.2-152.1176.4-128.6159.10.7107.9
294D30.2Very low31.2Very low142 Ų142148.1 Ų148.176%0.75981%0.814SS**  trans-63.1136.2177-60.7-61.4000110.1
295G31.6Very low30.8Very low80 Ų80149.5 Ų149.583%0.82581%0.812SS**  trans-152.788.7-178.900000108.5
296T27.6Very low30.5Very low119 Ų119150 Ų15073%0.7381%0.813SS**  trans-70.1135.6-167.4-44.80000113.4
297L26.6Very low30Very low148 Ų148147.3 Ų147.378%0.77581%0.805SS**  trans31.4122.1143.8-55.7163.4000119
298T30.1Very low29.4Very low150 Ų150142 Ų14292%0.9280%0.802SS**  -164.7125.2115.810000112
299T24Very low29.1Very low132 Ų132139.2 Ų139.281%0.8180%0.802SS**  trans-85.2133173.8-47.30000108.9
300A29.6Very low28.5Very low94 Ų94137.6 Ų137.678%0.77780%0.802SS**  trans-133129.5158.700000108.7
301P27.3Very low28.1Very low115 Ų115134.1 Ų134.175%0.74780%0.801SS**PPolyproline II helixtrans-92.9155.7-16930.8-21.4000113.6
302L23.9Very low27.9Very low167 Ų167133.2 Ų133.287%0.87480%0.801SS**PPolyproline II helixtrans-58.5135.7168.3-69.1154.3000112
303P29.4Very low27.4Very low124 Ų124134.4 Ų134.481%0.80581%0.806SS**PPolyproline II helixtrans-87.3121.6151.131.3-23.3000109.5
304S25.3Very low27Very low113 Ų113129.3 Ų129.379%0.7980%0.802SS**PPolyproline II helixtrans-77.5171.7162.949.10000110.8
305S24.9Very low26.8Very low100 Ų100126.5 Ų126.570%0.69980%0.799SS**  trans93.4113.5164.3-170.50000115.8
306V30Very low26.4Very low126 Ų126129.7 Ų129.776%0.76480%0.797SS**  -168.4113.6104.8169.90000109.4
307D26.4Very low26.4Very low144 Ų144129.6 Ų129.677%0.7780%0.796SS**  trans37.6129.2136.8-57.8-42.4000124.7
308G23.6Very low26.3Very low71 Ų71129.8 Ų129.873%0.73280%0.798SS**  trans79.7136.6137.700000115.5
309I28.8Very low26.1Very low163 Ų163130.8 Ų130.884%0.83679%0.792SS**  cis-160.6132.441.9-68.7153.3000108.4
310S24.9Very low26.3Very low106 Ų106136.3 Ų136.374%0.74180%0.798SS**  trans18.5121.8160.863.80000122.8A312S310-A312 PolarHBondContact O-N 2.98Å
311L23.8Very low26Very low175 Ų175139.7 Ų139.792%0.91680%0.798SS**PPolyproline II helixtrans-59.8122.7149.4-79.198.6000111.3
312A28.1Very low26Very low101 Ų101140.4 Ų140.484%0.83580%0.8SS**PPolyproline II helixtrans-83.2127.916100000109.9S310S310-A312 PolarHBondContact O-N 2.98Å
313K24.1Very low26.1Very low205 Ų205140.7 Ų140.789%0.89179%0.794SS**PPolyproline II helixtrans-94.6116.4-171.1-174.7-179.2-172.5178.40108.2
314V27.4Very low25.9Very low140 Ų140140.8 Ų140.885%0.84879%0.793SS**  trans-131.6122.5163.3-173.50000110.2
315A25.2Very low26.1Very low84 Ų84143.5 Ų143.569%0.69479%0.793SS**  trans-11.4121.2169.400000116.7
316N23.6Very low26.1Very low147 Ų147145.5 Ų145.579%0.78680%0.796SS**  44.6108.974.3-160.88.4000113.6
317V27.4Very low26.1Very low116 Ų116148.5 Ų148.570%0.70380%0.801SS**  174140.2126.1154.40000109.9
318N25.7Very low26.1Very low152 Ų152147.7 Ų147.781%0.81380%0.802SS**  trans9074.9171.6-63.9-26.2000118.7R320N318-R320 PolarHBondContact O-N 3.04Å
319Q24.7Very low26.3Very low171 Ų171150 Ų15080%0.79981%0.806SS**  trans-47120142.9-64.8169.7-4.700111.7
320R27.6Very low26.1Very low248 Ų248148.6 Ų148.694%0.93681%0.805SS**  trans-119.6104.8139.8-87.2-171.7176.4-171.9-0.1108.1N318N318-R320 PolarHBondContact O-N 3.04Å
321Q25Very low26.1Very low165 Ų165148.9 Ų148.977%0.77181%0.807SS**  trans-50.9142.9163.7-64.2164.6-12.500109.6
322V26.3Very low26.2Very low130 Ų130145.2 Ų145.279%0.78880%0.796SS**  176.1124.5119.3156.50000109.5
323K25.6Very low26.1Very low174 Ų174149.1 Ų149.176%0.75780%0.797SS**  trans6480.1160.9-79.9-179.6170.8-166.80118.8
324T26.1Very low26.1Very low126 Ų126150.2 Ų150.277%0.77380%0.797SS**  trans-68.7108.7136.144.70000109.6N326T324-N326 PolarHBondContact O-N 3.16Å
325E28.7Very low26Very low170 Ų170146.5 Ų146.579%0.79479%0.787SS**  trans-80.4106.9154.8-77.6-178.5177.900107.5E327E325-E327 PolarHBondContact O-N 2.65Å
326N25.8Very low26.1Very low142 Ų142148.2 Ų148.276%0.75979%0.794SS**  trans-72110.1168.1-86.1-34000108.4T324T324-N326 PolarHBondContact O-N 3.16Å
327E30.1Very low26.3Very low189 Ų189147.1 Ų147.188%0.88379%0.793SS**  trans-121.9100.3146-75.9-159.7159.200109.6E325E325-E327 PolarHBondContact O-N 2.65Å
328T25.4Very low26.2Very low127 Ų127147 Ų14778%0.77980%0.797SS**  trans-34.8126.6151.639.20000114
329S27.2Very low26.2Very low119 Ų119144.7 Ų144.783%0.83279%0.792SS**  -176.1118.8114.938.20000111
330V24.9Very low26.3Very low134 Ų134143 Ų14381%0.81279%0.793SS**  trans-73120167.9176.20000107.9
331S26.5Very low26.2Very low111 Ų111135.6 Ų135.678%0.77678%0.779SS**  trans-141.476.8148.9660000109.8Q333S331-Q333 VanDerWaalsContact C-N 3.32Å; S331-Q333 PolarHBondContact O-N 3.17Å
332S24.7Very low26.3Very low98 Ų98135.8 Ų135.869%0.68578%0.78SS**  trans-6196.4156.3-47.90000108
333Q25.4Very low26.2Very low184 Ų184137.6 Ų137.686%0.8679%0.785SS**  trans-119.488.7162.1-148.31673200107.4S331 G335S331-Q333 VanDerWaalsContact C-N 3.32Å; S331-Q333 PolarHBondContact O-N 3.17Å; Q333-G335 PolarHBondContact O-N 2.75Å
334Y24.9Very low26.2Very low227 Ų227133.6 Ų133.689%0.8978%0.78SS**  trans-54.692162.3-80.2-90.8000108.2
335G25.8Very low26.1Very low62 Ų62131.4 Ų131.464%0.63977%0.774SS**  trans-102.381.5167.800000107.8Q333 T337Q333-G335 PolarHBondContact O-N 2.75Å; G335-T337 PolarHBondContact O-N 3.28Å
336S26Very low25.8Very low120 Ų120128.9 Ų128.984%0.83977%0.77SS**  trans-59.995.5168.643.10000109.8
337T28.4Very low25.6Very low124 Ų124130.2 Ų130.276%0.76177%0.77SS**  trans-109.3101.315747.40000107.4G335 C339G335-T337 PolarHBondContact O-N 3.28Å; T337-C339 VanDerWaalsContact C-N 3.26Å; T337-C339 PolarHBondContact O-N 3.36Å
338S26.2Very low25.2Very low113 Ų113125.7 Ų125.779%0.7976%0.759SS**  trans-59.691.3163.759.80000108.4V340S338-V340 PolarHBondContact O-N 3.02Å
339C25.7Very low25.2Very low105 Ų105127.5 Ų127.571%0.70976%0.757SS**  trans-74.4110151.542.80000105.8T337 S341T337-C339 VanDerWaalsContact C-N 3.26Å; T337-C339 PolarHBondContact O-N 3.36Å; C339-S341 PolarHBondContact O-N 3.26Å
340V25.9Very low25Very low134 Ų134125.6 Ų125.681%0.81275%0.748SS**  trans-59.885.4155.2177.80000104.9S338 E342S338-V340 PolarHBondContact O-N 3.02Å; V340-E342 PolarHBondContact O-N 2.97Å
341S26.7Very low24.9Very low94 Ų94123.6 Ų123.666%0.65774%0.736SS**  trans-74.5114.6169.461.70000105.9C339 N343C339-S341 PolarHBondContact O-N 3.26Å; S341-N343 PolarHBondContact O-N 3.18Å
342E25.6Very low24.7Very low169 Ų169129.6 Ų129.679%0.7974%0.742SS**  trans-40.8129.3172.2-69.8168.2143.300110V340 S344V340-E342 PolarHBondContact O-N 2.97Å; E342-S344 PolarHBondContact O-N 3.22Å
343N25.3Very low24.8Very low167 Ų167131 Ų13189%0.89374%0.741SS**  trans-62.666.1169.4-73.3-26.9000110S341 A345S341-N343 PolarHBondContact O-N 3.18Å; N343-A345 PolarHBondContact O-N 2.86Å
344S26Very low24.9Very low91 Ų91129.5 Ų129.564%0.63673%0.734SS**  trans-83.879147.944.90000105.5E342 T346E342-S344 PolarHBondContact O-N 3.22Å; S344-T346 PolarHBondContact O-N 2.76Å; S344-T346 PolarHBondContact O-OG1 2.86Å
345A22.5Very low25.1Very low79 Ų79128.8 Ų128.865%0.65373%0.729SS**  trans-62.672.6161.200000107.4N343 F347N343-A345 PolarHBondContact O-N 2.86Å; A345-F347 HydrophobicContact CB-CD2 4.23Å; A345-F347 PolarHBondContact O-N 3.39Å
346T22.6Very low25.3Very low117 Ų117134.4 Ų134.472%0.71874%0.739SS**  trans-73.286.9163.4-340000102.6S344 S348S344-T346 PolarHBondContact O-N 2.76Å; S344-T346 PolarHBondContact O-OG1 2.86Å; T346-S348 PolarHBondContact O-N 3.48Å
347F22.2Very low25.5Very low170 Ų170132.7 Ų132.775%0.74672%0.723SS**  trans-65.479.5166.3-100-93.5000106.4A345 F349A345-F347 HydrophobicContact CB-CD2 4.23Å; A345-F347 PolarHBondContact O-N 3.39Å; F347-F349 PolarHBondContact O-N 3.23Å
348S22.5Very low25.5Very low95 Ų95131 Ų13166%0.66471%0.713SS**  trans-76.8102.5167.6-174.80000105.7T346 A350T346-S348 PolarHBondContact O-N 3.48Å; S348-A350 PolarHBondContact O-N 3.39Å
349F24.4Very low25.6Very low165 Ų165131.8 Ų131.872%0.72471%0.707SS**  trans-67.573.7156-63.3-90.8000107.1F347 T351F347-F349 PolarHBondContact O-N 3.23Å; F349-T351 PolarHBondContact O-N 3.48Å
350A22.1Very low25.7Very low79 Ų79132.2 Ų132.265%0.65370%0.702SS**  trans-7468.1145.500000105.3S348 R352S348-A350 PolarHBondContact O-N 3.39Å; A350-R352 PolarHBondContact O-N 2.82Å
351T23.7Very low25.8Very low91 Ų91132.1 Ų132.156%0.55869%0.693SS**  trans-59.69615633.90000103.7F349 L353F349-T351 PolarHBondContact O-N 3.48Å; T351-L353 PolarHBondContact O-N 3.29Å
352R23Very low26Very low238 Ų238132.4 Ų132.490%0.89869%0.691SS**  trans-53.188.3146.4-78.5179.9172.1-177.1-2.7103.3A350 H354A350-R352 PolarHBondContact O-N 2.82Å; R352-H354 PolarHBondContact O-N 3.36Å
353L26.8Very low26.1Very low126 Ų126128.9 Ų128.966%0.6668%0.676SS**  trans-62.188.4167.4-84162.3000103.3T351 R355 T357T351-L353 PolarHBondContact O-N 3.29Å; L353-R355 PolarHBondContact O-N 2.79Å; L353-T357 VanDerWaalsContact CD2-OG1 3.23Å; L353-T357 WeakPolarHBondContact CD2-OG1 3.36Å
354H27.6Very low26.2Very low154 Ų154127.1 Ų127.171%0.71366%0.662SS**  trans-54.3114.9164.8-148.518.8000103.6R352R352-H354 PolarHBondContact O-N 3.36Å
355R27.5Very low26.3Very low211 Ų211126.4 Ų126.480%0.79666%0.657SS**SBendtrans20.9110.4160-73.2176.5168.4164.9-5.5114.4L353 T357L353-R355 PolarHBondContact O-N 2.79Å; R355-T357 PolarHBondContact O-N 2.75Å
356E29.9Very low26.6Very low181 Ų181128 Ų12885%0.84666%0.659SS**  trans53.254.4155.8-65.3166.5139.800113.8T358E356-T358 PolarHBondContact O-N 3.19Å
357T30Very low26.8Very low83 Ų83127.3 Ų127.351%0.50965%0.654SS.*  trans-74.488.4157.433.60000106.6L353 R355 I359L353-T357 VanDerWaalsContact CD2-OG1 3.23Å; L353-T357 WeakPolarHBondContact CD2-OG1 3.36Å; R355-T357 PolarHBondContact O-N 2.75Å; T357-I359 PolarHBondContact O-N 2.92Å
358T28.4Very low27.1Very low89 Ų89126 Ų12655%0.54665%0.654SS.*  trans-48.5134.4175.146.10000110E356 N360 E361E356-T358 PolarHBondContact O-N 3.19Å; T358-N360 PolarHBondContact O-N 3.31Å; T358-E361 PolarHBondContact O-N 2.74Å
359I30.1Very low27.3Very low130 Ų130128.3 Ų128.367%0.66766%0.659SS**THydrogen-bonded Turntrans-44.3-19180-71.7163.6000114.3T357 E361 V362 I363T357-I359 PolarHBondContact O-N 2.92Å; I359-E361 VanDerWaalsContact C-N 3.34Å; I359-E361 PolarHBondContact O-N 3.04Å; I359-V362 PolarHBondContact O-N 2.87Å; I359-I363 HydrophobicContact CG2-CD1 4.08Å; I359-I363 PolarHBondContact O-N 3.49Å
360N26.7Very low27.3Very low113 Ų113124.2 Ų124.260%0.60466%0.656SS**Hα-helixtrans-59.2-32.2178.1-66.9-14.2000114.9T358 Q364T358-N360 PolarHBondContact O-N 3.31Å; N360-Q364 PolarHBondContact O-N 2.82Å
361E28.6Very low27.4Very low132 Ų132127 Ų12762%0.61767%0.667SS**Hα-helixtrans-76.4-31.5179-74.8-169.4173.300113.1T358 I359 I363 Q364 S365T358-E361 PolarHBondContact O-N 2.74Å; I359-E361 VanDerWaalsContact C-N 3.34Å; I359-E361 PolarHBondContact O-N 3.04Å; E361-I363 VanDerWaalsContact C-N 3.26Å; E361-I363 PolarHBondContact O-N 3.2Å; E361-Q364 PolarHBondContact O-N 2.94Å; E361-S365 PolarHBondContact O-N 3.2Å
362V30.3Very low27.6Very low101 Ų101126 Ų12661%0.61268%0.675SS**Hα-helixtrans-65.7-36.3176.8-178.40000110.1I359 Q364 S365I359-V362 PolarHBondContact O-N 2.87Å; V362-Q364 VanDerWaalsContact C-N 3.34Å; V362-Q364 PolarHBondContact O-N 3.38Å; V362-S365 PolarHBondContact O-N 3.43Å; V362-S365 PolarHBondContact O-OG 3Å
363I28.5Very low27.7Very low94 Ų94124.1 Ų124.148%0.48268%0.676SS.*Hα-helixtrans-67.2-35.7177.8-60.3173.1000111I359 E361 S365 V366 V367I359-I363 HydrophobicContact CG2-CD1 4.08Å; I359-I363 PolarHBondContact O-N 3.49Å; E361-I363 VanDerWaalsContact C-N 3.26Å; E361-I363 PolarHBondContact O-N 3.2Å; I363-S365 VanDerWaalsContact C-N 3.3Å; I363-S365 PolarHBondContact O-N 2.94Å; I363-V366 PolarHBondContact O-N 2.91Å; I363-V367 HydrophobicContact CG2-CG2 4.15Å; I363-V367 WeakPolarHBondContact O-CG2 3.32Å; I363-V367 PolarHBondContact O-N 3.06Å
364Q27.7Very low27.7Very low130 Ų130122 Ų12261%0.60769%0.685SS**Hα-helixtrans-65-32.6176.6-73.5-174.3-600113.1N360 E361 V362 V366N360-Q364 PolarHBondContact O-N 2.82Å; E361-Q364 PolarHBondContact O-N 2.94Å; V362-Q364 VanDerWaalsContact C-N 3.34Å; V362-Q364 PolarHBondContact O-N 3.38Å; Q364-V366 VanDerWaalsContact C-N 3.33Å; Q364-V366 PolarHBondContact O-N 3.05Å
365S26.9Very low27.6Very low76 Ų76118 Ų11853%0.53169%0.686SS.*Hα-helixtrans-71.3-26.6177.873.40000113.8E361 V362 I363E361-S365 PolarHBondContact O-N 3.2Å; V362-S365 PolarHBondContact O-N 3.43Å; V362-S365 PolarHBondContact O-OG 3Å; I363-S365 VanDerWaalsContact C-N 3.3Å; I363-S365 PolarHBondContact O-N 2.94Å
366V28.2Very low27.5Very low113 Ų113118.1 Ų118.169%0.68569%0.692SS**Hα-helixtrans-88.8-28-178.1-178.20000111.8I363 Q364I363-V366 PolarHBondContact O-N 2.91Å; Q364-V366 VanDerWaalsContact C-N 3.33Å; Q364-V366 PolarHBondContact O-N 3.05Å
367V28.4Very low27.4Very low103 Ų103117.2 Ų117.262%0.62469%0.69SS**Hα-helixtrans-82.5-21.2-177.6179.90000113.1I363 N369I363-V367 HydrophobicContact CG2-CG2 4.15Å; I363-V367 WeakPolarHBondContact O-CG2 3.32Å; I363-V367 PolarHBondContact O-N 3.06Å; V367-N369 PolarHBondContact O-N 3.05Å
368L28.4Very low27.2Very low141 Ų141121.4 Ų121.474%0.73870%0.704SS**THydrogen-bonded Turntrans-87.6-0.5-174-73.3171.1000116.4
369N25.5Very low27.2Very low145 Ų145124.8 Ų124.878%0.77572%0.718SS**THydrogen-bonded Turntrans-107.120.3179-82.2-25.6000114.3V367 P371V367-N369 PolarHBondContact O-N 3.05Å; N369-P371 VanDerWaalsContact O-CD 3.25Å; N369-P371 WeakPolarHBondContact O-CD 3.33Å
370A24.1Very low27.1Very low79 Ų79125.9 Ų125.965%0.65372%0.724SS**  trans-81.8113.816600000109.3G372A370-G372 PolarHBondContact O-N 3.33Å
371P24.3Very low27.1Very low137 Ų137126.8 Ų126.889%0.8973%0.729SS**  trans-74.58117531.1-31.8000109N369N369-P371 VanDerWaalsContact O-CD 3.25Å; N369-P371 WeakPolarHBondContact O-CD 3.33Å
372G27.9Very low27.2Very low69 Ų69125.8 Ų125.871%0.71173%0.734SS**  trans-109.6106.6173.900000109.8A370A370-G372 PolarHBondContact O-N 3.33Å
373Q25.9Very low27.3Very low199 Ų199127.6 Ų127.693%0.9374%0.74SS**  trans-55.3137174.8-68.7168.3-36.400112.4
374G26.6Very low27.3Very low83 Ų83129.6 Ų129.686%0.85675%0.752SS**  trans71.598.5138.100000117.7
375G24.9Very low27.3Very low70 Ų70129.3 Ų129.372%0.72276%0.763SS**  trans162.851.9163.400000113.5M377G375-M377 VanDerWaalsContact C-N 3.32Å; G375-M377 PolarHBondContact O-N 3.35Å
376F25.8Very low27.6Very low212 Ų212131.8 Ų131.893%0.9377%0.77SS**  trans-67.897.3165.3-68.1-83.2000107.4E378F376-E378 PolarHBondContact O-N 2.85Å; F376-E378 VanDerWaalsContact O-N 3.11Å
377M28.1Very low27.6Very low163 Ų163130 Ų13080%0.80377%0.774SS**  trans-68.1102.9158.2-88.3-173.5-52.800106.4G375 L379G375-M377 VanDerWaalsContact C-N 3.32Å; G375-M377 PolarHBondContact O-N 3.35Å; M377-L379 PolarHBondContact O-N 3.27Å
378E26.1Very low27.6Very low171 Ų171131.8 Ų131.880%0.79978%0.776SS**  trans-6091.3160.3-120.7176.5172.200107F376 L380F376-E378 PolarHBondContact O-N 2.85Å; F376-E378 VanDerWaalsContact O-N 3.11Å; E378-L380 PolarHBondContact O-N 2.9Å
379L28.3Very low27.5Very low160 Ų160133.8 Ų133.884%0.83878%0.781SS**  trans-70.385.7166.5-88.4156.6000106.8M377 N381M377-L379 PolarHBondContact O-N 3.27Å; L379-N381 PolarHBondContact O-N 2.78Å
380L27.5Very low27.6Very low152 Ų152136.2 Ų136.280%0.79678%0.781SS**  trans-54.9127.3170.1-76.3153.2000109E378E378-L380 PolarHBondContact O-N 2.9Å
381N26.2Very low27.6Very low133 Ų133137.8 Ų137.871%0.71179%0.787SS**  trans-10.1130.5-179.6-84.2-23.6000118.3L379 D383L379-N381 PolarHBondContact O-N 2.78Å; N381-D383 PolarHBondContact O-N 2.76Å
382P31.6Very low27.7Very low111 Ų111139 Ų13972%0.72179%0.785SS**THydrogen-bonded Turntrans-74.613.217832-35.4000115.4N384P382-N384 PolarHBondContact O-N 3.24Å
383D31.5Very low27.6Very low139 Ų139143 Ų14374%0.74379%0.785SS**THydrogen-bonded Turntrans-852.3-172.3-79.7-28000115.4N381N381-D383 PolarHBondContact O-N 2.76Å
384N28.9Very low27.9Very low135 Ų135138.9 Ų138.972%0.72277%0.773SS**  trans-116.178.6172.9-89.315000110.9P382 D386P382-N384 PolarHBondContact O-N 3.24Å; N384-D386 PolarHBondContact O-N 3.32Å; N384-D386 VanDerWaalsContact O-N 3.17Å
385C27.4Very low28.1Very low124 Ų124139.7 Ų139.784%0.83876%0.763SS**  trans-77.929166.4-67.30000113G387C385-G387 PolarHBondContact O-N 3.31Å
386D33.5Very low28.3Very low128 Ų128143.6 Ų143.668%0.68477%0.768SS**SBendtrans-78.5115.6163.7-76.7-27.7000106.3N384 E388N384-D386 PolarHBondContact O-N 3.32Å; N384-D386 VanDerWaalsContact O-N 3.17Å; D386-E388 PolarHBondContact O-N 2.74Å
387G28Very low28.4Very low75 Ų75137 Ų13777%0.77376%0.759SS**  trans-63.446.4-172.400000116C385 H389C385-G387 PolarHBondContact O-N 3.31Å; G387-H389 PolarHBondContact O-N 3.13Å
388E28.6Very low28.2Very low142 Ų142131.8 Ų131.866%0.66475%0.747SS**  trans-67.498.9162.1-69.4-77.4142.100106.8D386 Y390D386-E388 PolarHBondContact O-N 2.74Å; E388-Y390 HydrophobicContact CB-CE2 4.22Å; E388-Y390 WeakPolarHBondContact O-CD2 3.35Å; E388-Y390 PolarHBondContact O-N 3.42Å
389H26.7Very low28.1Very low182 Ų182127.6 Ų127.684%0.84375%0.75SS**  trans-54.591.5166-90.2-93.5000108.8G387 S391G387-H389 PolarHBondContact O-N 3.13Å; H389-S391 VanDerWaalsContact C-N 3.27Å; H389-S391 PolarHBondContact O-N 2.9Å
390Y27.3Very low28.2Very low197 Ų197125 Ų12577%0.77374%0.741SS**  trans-64.797.6164.3-66.6-81.3000106.5E388 L392E388-Y390 HydrophobicContact CB-CE2 4.22Å; E388-Y390 WeakPolarHBondContact O-CD2 3.35Å; E388-Y390 PolarHBondContact O-N 3.42Å; Y390-L392 VanDerWaalsContact C-N 3.33Å; Y390-L392 PolarHBondContact O-N 3.07Å
391S25Very low28.3Very low112 Ų112122.7 Ų122.778%0.78374%0.737SS**  trans-58.3104.8165.9-73.20000106.1H389 H393H389-S391 VanDerWaalsContact C-N 3.27Å; H389-S391 PolarHBondContact O-N 2.9Å; S391-H393 PolarHBondContact O-N 3.24Å
392L27Very low28.6Very low161 Ų161124.7 Ų124.784%0.84374%0.74SS**  trans-56.395169.4-89.8155.3000106.9Y390 V394Y390-L392 VanDerWaalsContact C-N 3.33Å; Y390-L392 PolarHBondContact O-N 3.07Å; L392-V394 PolarHBondContact O-N 2.95Å
393H24.7Very low28.5Very low155 Ų155129.1 Ų129.172%0.71874%0.742SS**  trans-70.287.2164.6-162.4-32.1000105S391 P395S391-H393 PolarHBondContact O-N 3.24Å; H393-P395 WeakPolarHBondContact O-CD 3.2Å
394V32.6Very low28.7Very low112 Ų112129.8 Ų129.868%0.67975%0.745SS**  trans-55.2114.7159.7-177.40000103.6L392 D396L392-V394 PolarHBondContact O-N 2.95Å; V394-D396 PolarHBondContact O-N 3.2Å
395P30Very low29.1Very low99 Ų99127.6 Ų127.664%0.64374%0.738SS**  trans-55.8133.6174.622-29.8000105.9H393 G397H393-P395 WeakPolarHBondContact O-CD 3.2Å; P395-G397 PolarHBondContact O-N 3.07Å
396D30.1Very low29.6Very low153 Ų153127 Ų12782%0.81874%0.735SS**  trans-55.191.7167.2-76.2-41.2000105.9V394 G398V394-D396 PolarHBondContact O-N 3.2Å; D396-G398 PolarHBondContact O-N 3.18Å
397G27Very low29.7Very low72 Ų72126 Ų12674%0.74273%0.73SS**  trans-62.993.2175.300000103.8P395 G399P395-G397 PolarHBondContact O-N 3.07Å; G397-G399 PolarHBondContact O-N 3.32Å; G397-G399 VanDerWaalsContact O-N 3.17Å
398G24.3Very low30.1Very low55 Ų55127.1 Ų127.157%0.56772%0.723SS**  trans-45128.4-171.600000107.6D396 T400D396-G398 PolarHBondContact O-N 3.18Å; G398-T400 PolarHBondContact O-N 3.43Å
399G24.5Very low30.9Very low82 Ų82127.3 Ų127.385%0.84572%0.724SS**  trans-57.77317300000109.8G397 S401G397-G399 PolarHBondContact O-N 3.32Å; G397-G399 VanDerWaalsContact O-N 3.17Å; G399-S401 PolarHBondContact O-N 2.96Å
400T30Very low31.5Very low106 Ų106123.7 Ų123.765%0.6571%0.711SS**  trans-78.281.815361.40000102.9G398 K402G398-T400 PolarHBondContact O-N 3.43Å; T400-K402 PolarHBondContact O-N 3.46Å
401S30.5Very low32.1Very low103 Ų103120.8 Ų120.872%0.7271%0.708SS**  trans-53.271.1145.5166.30000106.6G399 R403G399-S401 PolarHBondContact O-N 2.96Å; S401-R403 PolarHBondContact O-N 3.18Å
402K32Very low32.8Very low175 Ų175121.6 Ų121.676%0.76170%0.704SS**  trans-67.589.3159.3-72.4-169.3179.7-177.80102.6T400 L404T400-K402 PolarHBondContact O-N 3.46Å; K402-L404 PolarHBondContact O-N 3.49Å
403R29.8Very low33.3Very low205 Ų205120.6 Ų120.677%0.77470%0.699SS**  trans-42.9118.4158.6-80.5-177.3171.5-148.9-1.6104.4S401 P405S401-R403 PolarHBondContact O-N 3.18Å; R403-P405 VanDerWaalsContact O-N 3.16Å
404L34.8Very low33.7Very low152 Ų152117.6 Ų117.680%0.79670%0.695SS**  trans-45.6127.5165.4-72.2163.5000105.8K402 S406K402-L404 PolarHBondContact O-N 3.49Å; L404-S406 PolarHBondContact O-N 2.98Å
405P38.5Very low33.7Very low89 Ų89118.8 Ų118.858%0.57870%0.697SS**  trans-47.9119.4178.8-24.732000107.4R403 D407R403-P405 VanDerWaalsContact O-N 3.16Å; P405-D407 PolarHBondContact O-N 2.99Å; P405-D407 VanDerWaalsContact O-N 3.09Å
406S37.5Very low34.1Very low111 Ų111121.3 Ų121.378%0.77671%0.705SS**SBendtrans-75.29.3-177.8-53.20000111.7L404L404-S406 PolarHBondContact O-N 2.98Å
407D34Very low34Very low108 Ų108119 Ų11958%0.57869%0.692SS**SBendtrans-130.2121.6174.8-117-35.2000109.8P405 E409P405-D407 PolarHBondContact O-N 2.99Å; P405-D407 VanDerWaalsContact O-N 3.09Å; D407-E409 PolarHBondContact O-N 2.83Å
408P38.4Very low34.3Very low98 Ų98120.9 Ų120.964%0.63669%0.691SS**G310 helixtrans-72.2-0.3179.827.9-33000114.3
409E43.9Very low34.6Very low146 Ų146122.6 Ų122.668%0.68269%0.694SS**G310 helixtrans-77.7-22.4178.9-67.7-88.3113.800112.9D407 L411 N412D407-E409 PolarHBondContact O-N 2.83Å; E409-L411 PolarHBondContact O-N 3.17Å; E409-N412 PolarHBondContact O-N 3.02Å
410D40.1Very low34.8Very low107 Ų107123.9 Ų123.957%0.57269%0.69SS**G310 helixtrans-75-5.3179.3-86.1-9.2000113.8N412D410-N412 PolarHBondContact O-N 3.28Å
411L40.5Very low34.7Very low135 Ų135123.2 Ų123.271%0.70770%0.696SS**G310 helixtrans-75-8.5174.5-85162.6000113.3E409E409-L411 PolarHBondContact O-N 3.17Å
412N39.5Very low34.6Very low130 Ų130125.7 Ų125.770%0.69570%0.7SS**G310 helixtrans-85.4-7.9177.9-74.1-38.8000114.3E409 D410 C414E409-N412 PolarHBondContact O-N 3.02Å; D410-N412 PolarHBondContact O-N 3.28Å; N412-C414 VanDerWaalsContact C-N 3.35Å
413D36.7Very low34.4Very low140 Ų140122.4 Ų122.475%0.74970%0.699SS**G310 helixtrans-88.1-1.3178.7-80.3-11.2000113.9N415D413-N415 PolarHBondContact O-N 2.87Å
414C32.7Very low34.4Very low92 Ų92119.8 Ų119.862%0.62270%0.701SS**  trans-77.565.9166.9-71.60000110.5N412 L416N412-C414 VanDerWaalsContact C-N 3.35Å; C414-L416 HydrophobicContact CB-CG 4.45Å; C414-L416 PolarHBondContact O-N 3.12Å
415N33.3Very low34Very low137 Ų137116.5 Ų116.573%0.73370%0.703SS**  trans-69.371.4161.4-159.210.9000107.9D413 N417D413-N415 PolarHBondContact O-N 2.87Å; N415-N417 PolarHBondContact O-N 3.09Å
416L38.8Very low33.4Very low152 Ų152120.7 Ų120.780%0.79672%0.715SS**  trans-67.383.1171.6-72.9170.4000107C414 P418C414-L416 HydrophobicContact CB-CG 4.45Å; C414-L416 PolarHBondContact O-N 3.12Å; L416-P418 WeakPolarHBondContact O-CD 3.32Å
417N28.4Very low32.9Very low105 Ų105120 Ų12056%0.56171%0.711SS**  trans-67.1111.1171.4-133.8-12.6000106.6N415 S419N415-N417 PolarHBondContact O-N 3.09Å; N417-S419 PolarHBondContact O-N 2.74Å
418P32Very low32.5Very low110 Ų110120.9 Ų120.971%0.71472%0.722SS**G310 helixtrans-70.93-174.928-32.2000113.3L416 S420L416-P418 WeakPolarHBondContact O-CD 3.32Å; P418-S420 VanDerWaalsContact C-N 3.35Å; P418-S420 PolarHBondContact O-N 3.26Å
419S30.8Very low32Very low91 Ų91123.7 Ų123.764%0.63673%0.731SS**G310 helixtrans-79.8-8.4-177.3-540000115N417N417-S419 PolarHBondContact O-N 2.74Å
420S27.8Very low31.1Very low109 Ų109122.1 Ų122.176%0.76274%0.736SS**G310 helixtrans-85.9-10.4-178-53.70000114.7P418P418-S420 VanDerWaalsContact C-N 3.35Å; P418-S420 PolarHBondContact O-N 3.26Å
421A29.7Very low30.4Very low93 Ų93123.2 Ų123.277%0.76975%0.747SS**G310 helixtrans-94.21.1-176.400000114.7
422L28.4Very low29.6Very low155 Ų155120.8 Ų120.881%0.81275%0.746SS**SBendtrans-108.18.2-175.7-73.6173.7000115.1
423S26.6Very low28.9Very low106 Ų106118.8 Ų118.874%0.74174%0.742SS**  trans-104.762.2174.9-730000111.8
424D30.9Very low28.4Very low149 Ų149118.4 Ų118.480%0.79775%0.745SS**  trans-147.185.6150.4-87.2-39.9000107.7Q426D424-Q426 PolarHBondContact O-N 3.48Å
425G25.2Very low28.1Very low83 Ų83119.3 Ų119.386%0.85674%0.744SS**  trans-67.276.5169.700000110.4S427G425-S427 PolarHBondContact O-N 2.96Å
426Q26.9Very low27.7Very low177 Ų177120.8 Ų120.883%0.82775%0.752SS**  trans-83.1100.8160.5-77.6-179.7-4.800107.4D424D424-Q426 PolarHBondContact O-N 3.48Å
427S25.7Very low27Very low97 Ų97123.2 Ų123.268%0.67875%0.75SS**  trans-48.6137.7165-74.90000109G425 L429G425-S427 PolarHBondContact O-N 2.96Å; S427-L429 PolarHBondContact O-N 3.07Å
428P26.2Very low26.8Very low126 Ų126124 Ų12482%0.81876%0.759SS**  trans-64.589.4176.825.8-32.2000108.4S430P428-S430 PolarHBondContact O-N 3.44Å; P428-S430 VanDerWaalsContact O-N 3.15Å
429L27.7Very low26.5Very low157 Ų157123.5 Ų123.582%0.82276%0.755SS**  trans-63.2119171-107.4123.5000106.3S427 V431S427-L429 PolarHBondContact O-N 3.07Å; L429-V431 VanDerWaalsContact C-N 3.28Å; L429-V431 PolarHBondContact O-N 2.95Å
430S24.9Very low26.2Very low114 Ų114124.7 Ų124.780%0.79776%0.759SS**  trans-57.388.4177.6-47.80000109.7P428 A432P428-S430 PolarHBondContact O-N 3.44Å; P428-S430 VanDerWaalsContact O-N 3.15Å; S430-A432 PolarHBondContact O-N 3.37Å
431V25.6Very low26.2Very low130 Ų130126.2 Ų126.279%0.78876%0.758SS**  trans-77.778.7162.8-169.40000105.9L429 S433L429-V431 VanDerWaalsContact C-N 3.28Å; L429-V431 PolarHBondContact O-N 2.95Å; V431-S433 PolarHBondContact O-N 3.01Å
432A23.4Very low26Very low83 Ų83129 Ų12969%0.68676%0.76SS**  trans-67.773.3161.400000107.5S430 T434S430-A432 PolarHBondContact O-N 3.37Å; A432-T434 PolarHBondContact O-N 3.3Å
433S25.6Very low25.9Very low89 Ų89129.9 Ų129.962%0.62276%0.757SS**  trans-77.8102.3168.1-1730000107.3V431 D435V431-S433 PolarHBondContact O-N 3.01Å; S433-D435 PolarHBondContact O-N 3.25Å
434T25.4Very low25.9Very low131 Ų131129.7 Ų129.780%0.80476%0.756SS**  trans-74.214.3177.939.30000113.9A432 N436A432-T434 PolarHBondContact O-N 3.3Å; T434-N436 PolarHBondContact O-N 2.76Å
435D26.5Very low25.6Very low112 Ų112129.4 Ų129.460%0.59975%0.754SS**  trans-91.687.8177.8-95.6-49.8000111.1S433 R437S433-D435 PolarHBondContact O-N 3.25Å; D435-R437 PolarHBondContact O-N 3.06Å
436N24.7Very low25.6Very low168 Ų168130.3 Ų130.390%0.89875%0.746SS**  trans-66.333.1163.1-80.1-29.6000112.6T434 V438T434-N436 PolarHBondContact O-N 2.76Å; N436-V438 PolarHBondContact O-N 3.24Å
437R24.2Very low25.5Very low203 Ų203130.1 Ų130.177%0.76675%0.75SS**  trans-90.196170.7-70.3-172.1178.8-160.20.1107D435 P439D435-R437 PolarHBondContact O-N 3.06Å; R437-P439 WeakPolarHBondContact O-CD 3.3Å
438V24.3Very low25.4Very low122 Ų122130.4 Ų130.474%0.73975%0.748SS**  trans-47.2113161.7178.30000106.7N436 T440N436-V438 PolarHBondContact O-N 3.24Å; V438-T440 PolarHBondContact O-N 3.26Å; V438-T440 PolarHBondContact O-OG1 2.67Å
439P25.1Very low25.2Very low98 Ų98129.5 Ų129.564%0.63674%0.742SS**  trans-60.3112.2-179.8-18.930.7000107.2R437 D441R437-P439 WeakPolarHBondContact O-CD 3.3Å; P439-D441 PolarHBondContact O-N 3.28Å
440T26Very low25Very low116 Ų116130.4 Ų130.471%0.71274%0.741SS**THydrogen-bonded Turntrans-80.66.9179.6-260000111.2V438V438-T440 PolarHBondContact O-N 3.26Å; V438-T440 PolarHBondContact O-OG1 2.67Å
441D26.3Very low24.9Very low141 Ų141130.7 Ų130.775%0.75474%0.738SS**THydrogen-bonded Turntrans-1025.3-167.6-60.8-29.5000114.2P439 K443P439-D441 PolarHBondContact O-N 3.28Å; D441-K443 PolarHBondContact O-N 2.73Å
442L26Very low24.7Very low153 Ų153129.2 Ų129.280%0.80173%0.729SS**  trans-79.231163.2-73.1169.3000112S444L442-S444 PolarHBondContact O-N 2.74Å
443K26.1Very low24.7Very low173 Ų173129.9 Ų129.975%0.75273%0.727SS**SBendtrans-76.7106.7165.9-114.4176.9177.4176.80106.7D441 D445D441-K443 PolarHBondContact O-N 2.73Å; K443-D445 PolarHBondContact O-N 3.42Å
444S27.1Very low24.4Very low102 Ų102135.7 Ų135.771%0.71374%0.736SS**  trans64.634.5156.859.70000117.8L442 C446L442-S444 PolarHBondContact O-N 2.74Å; S444-C446 PolarHBondContact O-N 3.31Å
445D25Very low24.2Very low142 Ų142136.8 Ų136.876%0.75974%0.737SS**  trans-68.398.4151.6-88.6-20.3000107.1K443 L447K443-D445 PolarHBondContact O-N 3.42Å; D445-L447 PolarHBondContact O-N 2.84Å
446C24.5Very low23.9Very low103 Ų103136 Ų13670%0.69674%0.739SS**  trans-43110.8173.6-59.80000108.4S444 T448S444-C446 PolarHBondContact O-N 3.31Å; C446-T448 PolarHBondContact O-N 3.33Å
447L25.3Very low23.7Very low172 Ų172133.9 Ų133.990%0.90173%0.732SS**  trans-59.377.9152.5-72.1164.6000106.2D445 P449D445-L447 PolarHBondContact O-N 2.84Å; L447-P449 WeakPolarHBondContact O-CD 3.31Å; L447-P449 VanDerWaalsContact O-N 3.12Å
448T23.9Very low23.5Very low104 Ų104129.7 Ų129.764%0.63873%0.729SS**  trans-60.3112.1161.425.60000104.7C446 H450C446-T448 PolarHBondContact O-N 3.33Å; T448-H450 PolarHBondContact O-N 3.33Å
449P22.8Very low23.2Very low106 Ų106128.6 Ų128.669%0.68873%0.727SS**  trans-55.9119.5172.923.1-30.9000106L447 V451L447-P449 WeakPolarHBondContact O-CD 3.31Å; L447-P449 VanDerWaalsContact O-N 3.12Å; P449-V451 HydrophobicContact CG-CG2 4.47Å; P449-V451 PolarHBondContact O-N 3.33Å
450H22.6Very low23Very low176 Ų176130 Ų13082%0.81573%0.733SS**  trans-63.386.8166.9-78.9-81.3000106.5T448 V452T448-H450 PolarHBondContact O-N 3.33Å; H450-V452 PolarHBondContact O-N 2.81Å
451V23.1Very low22.7Very low121 Ų121129.2 Ų129.273%0.73373%0.73SS**  trans-68.189.1167.2-178.90000104.6P449 P453P449-V451 HydrophobicContact CG-CG2 4.47Å; P449-V451 PolarHBondContact O-N 3.33Å; V451-P453 WeakPolarHBondContact O-CD 3.23Å
452V21.3Very low22.4Very low99 Ų99128.9 Ų128.960%0.673%0.728SS**  trans-66.6112.7168.4179.50000105.5H450 Y454H450-V452 PolarHBondContact O-N 2.81Å; V452-Y454 PolarHBondContact O-N 3.1Å
453P22.4Very low22Very low97 Ų97127.1 Ų127.163%0.6373%0.728SS**  trans-67.2103.4176.427.2-30.7000107.3V451 L455V451-P453 WeakPolarHBondContact O-CD 3.23Å; P453-L455 PolarHBondContact O-N 2.88Å
454Y21Very low21.8Very low210 Ų210124.6 Ų124.682%0.82473%0.726SS**  trans-64.690.7162.6-81.3-88000107.1V452 S456V452-Y454 PolarHBondContact O-N 3.1Å; Y454-S456 PolarHBondContact O-N 2.81Å
455L20.8Very low21.4Very low155 Ų155124.5 Ų124.581%0.81273%0.726SS**  trans-66.770164.8-75.5162.2000108.2P453 V457P453-L455 PolarHBondContact O-N 2.88Å; L455-V457 VanDerWaalsContact C-N 3.32Å; L455-V457 PolarHBondContact O-N 2.92Å; L455-V457 VanDerWaalsContact O-N 3.09Å
456S20.1Very low21.2Very low94 Ų94126.9 Ų126.966%0.65773%0.73SS**  trans-73.997.2160.440.60000106.7Y454 V458Y454-S456 PolarHBondContact O-N 2.81Å; S456-V458 PolarHBondContact O-N 3.28Å
457V19.9Very low21Very low124 Ų124126.4 Ų126.475%0.75273%0.728SS**  trans-59.282.4169.2-179.10000108L455 S459L455-V457 VanDerWaalsContact C-N 3.32Å; L455-V457 PolarHBondContact O-N 2.92Å; L455-V457 VanDerWaalsContact O-N 3.09Å; V457-S459 VanDerWaalsContact C-N 3.32Å; V457-S459 PolarHBondContact O-N 3.46Å
458V19.8Very low20.8Very low116 Ų116125.4 Ų125.470%0.70372%0.723SS**  trans-82.692.4162.6-177.30000105.1S456 V460S456-V458 PolarHBondContact O-N 3.28Å; V458-V460 HydrophobicContact CG1-CG2 4.27Å; V458-V460 PolarHBondContact O-N 3.23Å
459S19.1Very low20.7Very low98 Ų98129 Ų12969%0.68574%0.735SS**  trans-55.996.7171.2-42.70000108.6V457 P461V457-S459 VanDerWaalsContact C-N 3.32Å; V457-S459 PolarHBondContact O-N 3.46Å; S459-P461 WeakPolarHBondContact O-CD 3.36Å
460V19.2Very low20.6Very low127 Ų127130.3 Ų130.377%0.7775%0.745SS**  trans-92.4104.1165.6-173.50000106.8V458 N462V458-V460 HydrophobicContact CG1-CG2 4.27Å; V458-V460 PolarHBondContact O-N 3.23Å; V460-N462 PolarHBondContact O-N 3.28Å
461P20.3Very low20.6Very low101 Ų101126.5 Ų126.566%0.65674%0.739SS**  trans-77.1114.2171.131.2-29000107.9S459S459-P461 WeakPolarHBondContact O-CD 3.36Å
462N20Very low20.4Very low133 Ų133127.5 Ų127.571%0.71175%0.745SS**  trans154.9112.4130.2-83.6-34.8000111.8V460V460-N462 PolarHBondContact O-N 3.28Å
463C18.2Very low20.5Very low116 Ų116126.5 Ų126.578%0.78476%0.755SS**  39.994.8118-49.50000116.5
464V21.3Very low20.4Very low120 Ų120131.8 Ų131.873%0.72777%0.768SS**  trans-134.4106.8139.7-168.70000107.5F466V464-F466 HydrophobicContact CG1-CD2 3.69Å; V464-F466 HydrophobicContact CG1-CE2 3.64Å; V464-F466 PolarHBondContact O-N 3.06Å
465S18.2Very low20.7Very low101 Ų101126.3 Ų126.371%0.70677%0.766SS**  trans-67.5118.3167.260.40000108.7
466F22.3Very low20.7Very low191 Ų191129.1 Ų129.184%0.83877%0.772SS**  trans-115.494.7155.4-93.1-84.1000108.2V464V464-F466 HydrophobicContact CG1-CD2 3.69Å; V464-F466 HydrophobicContact CG1-CE2 3.64Å; V464-F466 PolarHBondContact O-N 3.06Å
467S19.5Very low20.9Very low94 Ų94128.1 Ų128.166%0.65778%0.777SS**  trans-62.7123.3156.2-40.60000107.9
468D21.8Very low21.1Very low151 Ų151129.8 Ų129.881%0.80778%0.781SS**  trans169.287.4145.8-86.3-17.1000106.6
469M20.7Very low21.3Very low180 Ų180129.5 Ų129.589%0.88779%0.791SS**  41.776.995.7-73.4-157.576.100113.6
470C21.9Very low21.7Very low132 Ų132133.6 Ų133.689%0.89280%0.799SS**  trans-118.9105146.3-90.70000108.8
471S21.1Very low22Very low97 Ų97133.1 Ų133.168%0.67880%0.801SS**  trans-47.9132.8178.146.10000115.6G473S471-G473 PolarHBondContact O-N 2.7Å
472T20.6Very low22.2Very low141 Ų141133.2 Ų133.287%0.86581%0.811SS**  trans1198.9135.7460000117
473G21.7Very low22.4Very low78 Ų78133 Ų13380%0.80481%0.814SS**  trans-119.491.1159.600000109.5S471 A475S471-G473 PolarHBondContact O-N 2.7Å; G473-A475 PolarHBondContact O-N 3.4Å
474K21.1Very low22.9Very low208 Ų208136.4 Ų136.490%0.90482%0.816SS**  trans-70.8118.8163.7-75.2-173.1174.7-1750108
475A26.3Very low23.1Very low95 Ų95140.2 Ų140.279%0.78583%0.826SS**  trans-148.997.6158.200000108.8G473 G477G473-A475 PolarHBondContact O-N 3.4Å; A475-G477 PolarHBondContact O-N 3.42Å
476F21.4Very low23.5Very low215 Ų215141 Ų14194%0.94383%0.826SS**  trans-57123.9157.2-89.1-106.7000107.6
477G24.7Very low23.7Very low73 Ų73138.9 Ų138.975%0.75382%0.824SS**  trans-122.6118.6170.100000108.1A475A475-G477 PolarHBondContact O-N 3.42Å
478D24.6Very low23.9Very low159 Ų159142.1 Ų142.185%0.8583%0.834SS**  trans-55136.8-172.1-72.3-53.5000114.4E480D478-E480 PolarHBondContact O-N 3.35Å
479A24.1Very low24.1Very low110 Ų110138.6 Ų138.691%0.90983%0.825SS**  trans-83.279.6171.500000110
480E26Very low24.2Very low184 Ų184139 Ų13986%0.8683%0.825SS**  trans-146.761.5171.8-154.3177.3-169.400111.8D478D478-E480 PolarHBondContact O-N 3.35Å
481S26.4Very low24.5Very low116 Ų116139.9 Ų139.981%0.81182%0.82SS**  trans-152.658163.468.80000111.1
482A25Very low24.6Very low103 Ų103139.5 Ų139.585%0.85182%0.817SS**  trans-106.154.4168.700000109.9
483T24.5Very low24.9Very low128 Ų128138.6 Ų138.679%0.78581%0.814SS**  trans-148.680.7171.148.20000110.5
484K26.8Very low25.2Very low189 Ų189140.6 Ų140.682%0.82282%0.816SS**  trans-167.7100.1151.1-106.4158.8-170.8-177.30109.3T486K484-T486 PolarHBondContact O-N 2.71Å; K484-T486 VanDerWaalsContact O-N 3.07Å
485E26.3Very low25.4Very low200 Ų200133.4 Ų133.494%0.93580%0.8SS**  trans-50.8105.8149.1-77.9173.4133.900107.7
486T27.7Very low25.4Very low116 Ų116135.1 Ų135.171%0.71280%0.796SS**  trans-128.298.3159.146.80000107.1K484K484-T486 PolarHBondContact O-N 2.71Å; K484-T486 VanDerWaalsContact O-N 3.07Å
487D25Very low25.7Very low147 Ų147131.5 Ų131.579%0.78679%0.786SS**  trans-43.2142.2154.3-71.8-43.5000110.1
488N24.4Very low25.8Very low163 Ų163131 Ų13187%0.87277%0.771SS**  trans84.471.8176.8-46.3-55.4000116.1
489A26.1Very low25.9Very low76 Ų76131.2 Ų131.263%0.62877%0.769SS**  trans-139.296.4142.800000109L491A489-L491 HydrophobicContact CB-CG 4.14Å; A489-L491 PolarHBondContact O-N 2.77Å
490H23.3Very low26Very low188 Ų188132.6 Ų132.687%0.8776%0.76SS**  trans-50.982.1147.6-89.4-90.7000108.2S492H490-S492 PolarHBondContact O-N 2.86Å
491L26.5Very low26.1Very low152 Ų152128.4 Ų128.480%0.79675%0.751SS**  trans-84.675.4159.9-70.4168.3000105.3A489 P493A489-L491 HydrophobicContact CB-CG 4.14Å; A489-L491 PolarHBondContact O-N 2.77Å; L491-P493 WeakPolarHBondContact O-CD 3.37Å; L491-P493 VanDerWaalsContact O-N 3.17Å
492S24Very low26Very low89 Ų89126.8 Ų126.862%0.62275%0.745SS**  trans-53.7119.9154.7-68.10000105.6H490 S494H490-S492 PolarHBondContact O-N 2.86Å; S492-S494 VanDerWaalsContact C-N 3.34Å; S492-S494 PolarHBondContact O-N 3.45Å
493P26.2Very low26Very low122 Ų122130.6 Ų130.679%0.79275%0.745SS**  trans-61.8103.7178.524.2-30.6000106.8L491 G495L491-P493 WeakPolarHBondContact O-CD 3.37Å; L491-P493 VanDerWaalsContact O-N 3.17Å; P493-G495 PolarHBondContact O-N 3.42Å
494S28.1Very low26Very low120 Ų120129.2 Ų129.284%0.83974%0.736SS**  trans-71.557.4159.760.50000107.7S492 D496S492-S494 VanDerWaalsContact C-N 3.34Å; S492-S494 PolarHBondContact O-N 3.45Å; S494-D496 VanDerWaalsContact C-N 3.34Å; S494-D496 PolarHBondContact O-N 3.12Å
495G25.5Very low25.9Very low57 Ų57124.8 Ų124.859%0.58873%0.727SS**  trans-84.389.8164.900000105.3P493 L497P493-G495 PolarHBondContact O-N 3.42Å; G495-L497 PolarHBondContact O-N 2.82Å
496D27.2Very low25.9Very low130 Ų130121.7 Ų121.770%0.69572%0.717SS**  trans-53.9111.8177.3-148.421.1000108S494 S498 M499S494-D496 VanDerWaalsContact C-N 3.34Å; S494-D496 PolarHBondContact O-N 3.12Å; D496-S498 WeakPolarHBondContact CB-OG 3.46Å; D496-S498 PolarHBondContact O-N 3.32Å; D496-S498 PolarHBondContact O-OG 3.04Å; D496-S498 PolarHBondContact OD2-OG 3.05Å; D496-M499 PolarHBondContact O-N 3.37Å
497L27.4Very low25.8Very low139 Ų139120.1 Ų120.173%0.72872%0.716SS**G310 helixtrans-59.3-7.4-178-75.3166.2000112.7G495 M499 L500G495-L497 PolarHBondContact O-N 2.82Å; L497-M499 PolarHBondContact O-N 2.99Å; L497-L500 HydrophobicContact CD2-CD1 4.12Å; L497-L500 PolarHBondContact O-N 3.39Å
498S25.9Very low25.8Very low64 Ų64117 Ų11745%0.44871%0.706SS.*G310 helixtrans-56.9-28.4171.247.20000112.7D496 S501D496-S498 WeakPolarHBondContact CB-OG 3.46Å; D496-S498 PolarHBondContact O-N 3.32Å; D496-S498 PolarHBondContact O-OG 3.04Å; D496-S498 PolarHBondContact OD2-OG 3.05Å; S498-S501 PolarHBondContact O-N 3.38Å; S498-S501 PolarHBondContact O-OG 3.33Å
499M27.7Very low25.7Very low163 Ų163116.1 Ų116.180%0.80369%0.694SS**G310 helixtrans-77.4-19.4176.7-81.6-161.448.200115.3D496 L497 S501D496-M499 PolarHBondContact O-N 3.37Å; L497-M499 PolarHBondContact O-N 2.99Å; M499-S501 VanDerWaalsContact C-N 3.28Å
500L26.3Very low25.4Very low138 Ų138116.5 Ų116.572%0.72369%0.692SS**G310 helixtrans-82-8.5173.2-73.4171.8000112.8L497 A502L497-L500 HydrophobicContact CD2-CD1 4.12Å; L497-L500 PolarHBondContact O-N 3.39Å; L500-A502 VanDerWaalsContact C-N 3.26Å; L500-A502 PolarHBondContact O-N 3.41Å
501S26.8Very low25.4Very low96 Ų96114.2 Ų114.267%0.67169%0.685SS**G310 helixtrans-78.1-7.8172.872.80000113.8S498 M499S498-S501 PolarHBondContact O-N 3.38Å; S498-S501 PolarHBondContact O-OG 3.33Å; M499-S501 VanDerWaalsContact C-N 3.28Å
502A26.3Very low25.2Very low83 Ų83113 Ų11369%0.68668%0.679SS**G310 helixtrans-89.4-0.4-172.600000115.5L500L500-A502 VanDerWaalsContact C-N 3.26Å; L500-A502 PolarHBondContact O-N 3.41Å
503Q24.8Very low25.1Very low182 Ų182119.5 Ų119.585%0.8569%0.69SS**SBendtrans-136.218.1-172.5-101.6171.512.200116.6
504V23.9Very low24.9Very low99 Ų99124 Ų12460%0.669%0.691SS**SBendtrans-106.9112.2162.9-174.10000107.7D506V504-D506 PolarHBondContact O-N 3.46Å
505P25.2Very low24.6Very low96 Ų96122.6 Ų122.662%0.62368%0.681SS**  trans-57.3125.3177.2-1929.1000109.8A507P505-A507 HydrophobicContact CB-CB 4.35Å; P505-A507 PolarHBondContact O-N 3.29Å
506D26Very low24.5Very low135 Ų135126.6 Ų126.672%0.72269%0.688SS**THydrogen-bonded Turntrans-58.510.3170.8-89.6-35000114.4V504V504-D506 PolarHBondContact O-N 3.46Å
507A25Very low24.3Very low83 Ų83125.2 Ų125.269%0.68669%0.689SS**THydrogen-bonded Turntrans-82.3-13.5-174.400000114.5P505P505-A507 HydrophobicContact CB-CB 4.35Å; P505-A507 PolarHBondContact O-N 3.29Å
508S25.3Very low24.1Very low83 Ų83122.1 Ų122.158%0.5868%0.679SS**THydrogen-bonded Turntrans-103.7-17.8176.349.20000114.6
509F22.6Very low24.1Very low144 Ų144125.2 Ų125.263%0.63270%0.695SS**G310 helixtrans-84.5-11.1176.2-81.2-79.9000114.6
510C20.7Very low24Very low84 Ų84122.2 Ų122.257%0.56869%0.691SS**G310 helixtrans-81.2-12.1179.6-77.10000115.3
511N23.1Very low24.2Very low139 Ų139121.5 Ų121.574%0.74369%0.687SS**G310 helixtrans-88.6-5.8174.9-79.6-24.6000114.6
512L22.1Very low24.1Very low127 Ų127119.5 Ų119.567%0.66567%0.674SS**THydrogen-bonded Turntrans-97-14.5170.6-93150.3000113.7
513R21.9Very low24.2Very low225 Ų225120.4 Ų120.485%0.84967%0.673SS**SBendtrans-85.7-14173.5-103.9-171169.3-173.2-1.5115.1
514R22.1Very low24.3Very low218 Ų218116.5 Ų116.582%0.82366%0.661SS**SBendtrans-94.8-0.6-179.4-101.3-176.7-176167.52.8116.3
515S20.8Very low24.6Very low90 Ų90114.7 Ų114.763%0.62966%0.656SS**SBendtrans-122.913.6174.3-151.40000114.6
516L23.3Very low24.7Very low140 Ų140115.4 Ų115.473%0.73365%0.651SS**SBendtrans-104.85.1167.5-66.7175.7000112.9
517S23.6Very low24.7Very low102 Ų102112.2 Ų112.271%0.71364%0.644SS**SBendtrans-88-2.1170.167.20000113.6
518S22.8Very low25Very low74 Ų74114.8 Ų114.852%0.51765%0.645SS.*SBendtrans-87.9105.7159.158.50000106.9S520S518-S520 PolarHBondContact O-N 2.89Å
519T25.6Very low25.3Very low128 Ų128114 Ų11479%0.78564%0.644SS**  trans-41.489.9159.917.90000109.9N521T519-N521 PolarHBondContact O-N 2.82Å; T519-N521 VanDerWaalsContact O-N 3.13Å
520S26.3Very low25.6Very low101 Ų101114.1 Ų114.171%0.70665%0.651SS**  trans-76.4100.816356.30000105.2S518 S522S518-S520 PolarHBondContact O-N 2.89Å; S520-S522 PolarHBondContact O-N 3.1Å
521N29.7Very low25.9Very low122 Ų122112.3 Ų112.365%0.65265%0.647SS**  trans-5983.5168.1-72-35.2000108.3T519 P523T519-N521 PolarHBondContact O-N 2.82Å; T519-N521 VanDerWaalsContact O-N 3.13Å; N521-P523 WeakPolarHBondContact O-CD 3.48Å
522S26.3Very low26.2Very low55 Ų55112.8 Ų112.839%0.38565%0.649SS.*  trans-63.5120.9163.1158.50000107.2S520 V524 A525 Q526S520-S522 PolarHBondContact O-N 3.1Å; S522-V524 PolarHBondContact O-N 2.74Å; S522-V524 PolarHBondContact OG-N 2.99Å; S522-A525 PolarHBondContact O-N 2.79Å; S522-Q526 PolarHBondContact O-N 2.93Å
523P27.8Very low26.6Very low102 Ų102113.8 Ų113.866%0.66266%0.655SS**Hα-helixtrans-60-17.2176.6-21.232000112.9N521 A527N521-P523 WeakPolarHBondContact O-CD 3.48Å; P523-A527 WeakPolarHBondContact O-CB 3.36Å; P523-A527 PolarHBondContact O-N 2.67Å
524V27.4Very low26.7Very low100 Ų100114.2 Ų114.261%0.60666%0.657SS**Hα-helixtrans-73.2-36176.5-1730000111S522 A527 L528S522-V524 PolarHBondContact O-N 2.74Å; S522-V524 PolarHBondContact OG-N 2.99Å; V524-A527 PolarHBondContact O-N 2.77Å; V524-L528 PolarHBondContact O-N 2.7Å; V524-L528 VanDerWaalsContact O-N 3.12Å
525A29Very low26.9Very low61 Ų61114.5 Ų114.550%0.50466%0.658SS.*Hα-helixtrans-73.7-32.617500000112.1S522 L528 A529S522-A525 PolarHBondContact O-N 2.79Å; A525-L528 PolarHBondContact O-N 3.35Å; A525-A529 VanDerWaalsContact O-CB 3.25Å; A525-A529 WeakPolarHBondContact O-CB 3.25Å; A525-A529 PolarHBondContact O-N 2.71Å
526Q26.9Very low27.3Very low110 Ų110116.2 Ų116.251%0.51467%0.665SS.*Hα-helixtrans-71.3-31.9171.2-90.8-173.7-1.700113S522 L528 A529 N530S522-Q526 PolarHBondContact O-N 2.93Å; Q526-L528 VanDerWaalsContact C-N 3.34Å; Q526-A529 PolarHBondContact O-N 2.75Å; Q526-N530 WeakPolarHBondContact O-CB 3.43Å; Q526-N530 PolarHBondContact O-N 3.08Å
527A27.6Very low27.5Very low68 Ų68114.8 Ų114.856%0.56267%0.666SS**Hα-helixtrans-67.3-35.8173.200000111.9P523 V524 G531P523-A527 WeakPolarHBondContact O-CB 3.36Å; P523-A527 PolarHBondContact O-N 2.67Å; V524-A527 PolarHBondContact O-N 2.77Å; A527-G531 PolarHBondContact O-N 3.01Å
528L30.9Very low27.8Very low138 Ų138118 Ų11872%0.72367%0.67SS**Hα-helixtrans-76.4-36174.2-78.2159.3000112.6V524 A525 Q526 G531V524-L528 PolarHBondContact O-N 2.7Å; V524-L528 VanDerWaalsContact O-N 3.12Å; A525-L528 PolarHBondContact O-N 3.35Å; Q526-L528 VanDerWaalsContact C-N 3.34Å; L528-G531 PolarHBondContact O-N 3.17Å
529A31.9Very low27.9Very low66 Ų66122.2 Ų122.255%0.54569%0.686SS.*Hα-helixtrans-72-32.3177.400000113.2A525 Q526 G531A525-A529 VanDerWaalsContact O-CB 3.25Å; A525-A529 WeakPolarHBondContact O-CB 3.25Å; A525-A529 PolarHBondContact O-N 2.71Å; Q526-A529 PolarHBondContact O-N 2.75Å; A529-G531 VanDerWaalsContact C-N 3.27Å; A529-G531 PolarHBondContact O-N 3.12Å
530N28.8Very low28.2Very low146 Ų146121.3 Ų121.378%0.78168%0.682SS**THydrogen-bonded Turntrans-874.7174.7-75.3-17.9000113.5Q526Q526-N530 WeakPolarHBondContact O-CB 3.43Å; Q526-N530 PolarHBondContact O-N 3.08Å
531G26.6Very low28.3Very low47 Ų47125.6 Ų125.649%0.48569%0.691SS.*SBendtrans-92.8-27.2-169.100000116.6A527 L528 A529A527-G531 PolarHBondContact O-N 3.01Å; L528-G531 PolarHBondContact O-N 3.17Å; A529-G531 VanDerWaalsContact C-N 3.27Å; A529-G531 PolarHBondContact O-N 3.12Å
532N28.5Very low28.2Very low148 Ų148128 Ų12879%0.79170%0.699SS**SBendtrans-154.421-166.2-110.8-1.1000119R534N532-R534 PolarHBondContact O-N 2.77Å
533D30.1Very low28.3Very low148 Ų148130.3 Ų130.379%0.79172%0.715SS**  trans-83.626174.1-92.9-16.5000114.7R535D533-R535 PolarHBondContact O-N 3.47Å
534R24.7Very low28.2Very low235 Ų235129.1 Ų129.189%0.88772%0.721SS**  trans-81.863.1158.7-96.1-174.7174.7168-1.3110N532 T536N532-R534 PolarHBondContact O-N 2.77Å; R534-T536 VanDerWaalsContact C-N 3.29Å; R534-T536 PolarHBondContact O-N 3.36Å
535R26.4Very low28.3Very low224 Ų224136 Ų13685%0.84574%0.736SS**  trans-7988.3150.1-75.6-175.5176.9176.50.7106.7D533 S537D533-R535 PolarHBondContact O-N 3.47Å; R535-S537 PolarHBondContact O-N 3.5Å
536T29.9Very low28.2Very low126 Ų126141.6 Ų141.677%0.77375%0.752SS**  trans-63.890.1161.85.60000107.5R534 E538R534-T536 VanDerWaalsContact C-N 3.29Å; R534-T536 PolarHBondContact O-N 3.36Å; T536-E538 VanDerWaalsContact C-N 3.26Å; T536-E538 PolarHBondContact O-N 3.21Å
537S27.2Very low28.4Very low109 Ų109142.9 Ų142.976%0.76276%0.762SS**  trans-80.277.1164.4167.70000108R535R535-S537 PolarHBondContact O-N 3.5Å
538E28.8Very low28.6Very low171 Ų171146.3 Ų146.380%0.79977%0.771SS**  trans-13293.7160.2-70-171.817600106.5T536 P540T536-E538 VanDerWaalsContact C-N 3.26Å; T536-E538 PolarHBondContact O-N 3.21Å; E538-P540 VanDerWaalsContact O-CD 3.29Å; E538-P540 WeakPolarHBondContact O-CD 3.08Å
539L25.7Very low28.2Very low161 Ų161152.5 Ų152.584%0.84379%0.785SS**  trans-73.1118.2155-92.8115.9000106.8
540P30.8Very low28.1Very low110 Ų110153.3 Ų153.371%0.71479%0.791SS**  trans-77.2114.2146.5-1.721.3000106.6E538 E542E538-P540 VanDerWaalsContact O-CD 3.29Å; E538-P540 WeakPolarHBondContact O-CD 3.08Å; P540-E542 PolarHBondContact O-N 2.83Å
541E28.9Very low27.9Very low191 Ų191151.7 Ų151.789%0.89379%0.792SS**  trans-57.8102.5155.9-68.8179.5134.900107.9
542E28.8Very low27.9Very low172 Ų172157.7 Ų157.780%0.80481%0.807SS**  trans-141.1102.7160.2-131-179.5172.400111.1P540P540-E542 PolarHBondContact O-N 2.83Å
543S27.8Very low27.9Very low104 Ų104156 Ų15673%0.72781%0.806SS**  trans23.1125.4145.662.80000118.8
544G25.3Very low27.7Very low77 Ų77153.7 Ų153.779%0.79481%0.808SS**  trans-53.5136.2-179.800000115.4
545R29.6Very low27.8Very low245 Ų245147.3 Ų147.393%0.92581%0.805SS**  trans-135.2100.8142.8-73.3-166.3176.4-172.2-0.7108
546Q26.8Very low27.9Very low178 Ų178145.6 Ų145.683%0.83280%0.804SS**  trans-51.2125.9146.5-144166.3-200106.4
547D31.8Very low27.9Very low136 Ų136146.8 Ų146.873%0.72781%0.806SS**  trans163.7130.2137.4-75.7-21.1000111.8
548D30.4Very low28Very low141 Ų141150.3 Ų150.375%0.75482%0.815SS**  trans73.591.3146-58.2-18.6000120.7A550D548-A550 PolarHBondContact O-N 3.29Å
549W24.2Very low28Very low268 Ų268151.1 Ų151.1100%1.01582%0.819SS**  trans-39.496.2142.7-62.183.4000112.3
550A27.9Very low28.3Very low82 Ų82152.7 Ų152.768%0.67882%0.822SS**  trans-137.698.116400000110.5D548 H552D548-A550 PolarHBondContact O-N 3.29Å; A550-H552 PolarHBondContact O-N 2.95Å
551S24.6Very low28.1Very low112 Ų112156.9 Ų156.978%0.78383%0.832SS**  trans-45.5112.6162.3156.70000111.9
552H28.6Very low28.1Very low174 Ų174152.4 Ų152.481%0.80683%0.827SS**  trans-146.2115.3149.3-86.4-65000111.5A550 A554A550-H552 PolarHBondContact O-N 2.95Å; H552-A554 PolarHBondContact O-N 3.22Å
553S27Very low28.2Very low111 Ų111148.3 Ų148.378%0.77682%0.823SS**  trans-27116.4157.452.70000114.9
554A26.8Very low28.2Very low100 Ų100151.5 Ų151.583%0.82683%0.832SS**  trans-128.867.4158.200000108.7H552H552-A554 PolarHBondContact O-N 3.22Å
555A26.3Very low28.3Very low101 Ų101152 Ų15284%0.83583%0.828SS**  trans-93.573.4160.900000107.8
556K28.6Very low28.3Very low188 Ų188148 Ų14882%0.81783%0.825SS**  trans-147142.9163.6-84.5-170.1175.6178.30106.6
557D29.2Very low28.3Very low151 Ų151149.5 Ų149.581%0.80783%0.828SS**  trans108.734.6169.6-53.3-13.6000118.1
558L30.1Very low28.1Very low184 Ų184146.9 Ų146.996%0.96382%0.821SS**  trans-134.867.3152.3-71.5176.6000110.5
559Q28.3Very low28Very low187 Ų187146.4 Ų146.487%0.87483%0.828SS**  trans-138.366.3172.2-165179.33.700109.7
560E31.9Very low28.2Very low194 Ų194137.8 Ų137.891%0.90781%0.809SS**SBendtrans-155.921.7168.4-134172.2-169.800117.4
561E27.6Very low28.3Very low199 Ų199141 Ų14193%0.9381%0.814SS**SBendtrans-134.634.4-177.2-144.7170.5-175.900115.9
562A29.7Very low28.5Very low96 Ų96145.2 Ų145.279%0.79382%0.821SS**SBendtrans-141.615.7173.500000115.6
563A30.1Very low28.4Very low86 Ų86142 Ų14271%0.71182%0.818SS**SBendtrans-84.9-13.4-178.600000114.8
564D28.6Very low28.4Very low172 Ų172141.4 Ų141.492%0.9281%0.814SS**SBendtrans-102.48.1-170.4-84.7-23.3000116.4
565A27Very low28.4Very low86 Ų86146 Ų14671%0.71182%0.819SS**  trans-101.525176.900000114.4K567A565-K567 VanDerWaalsContact C-N 3.31Å; A565-K567 PolarHBondContact O-N 3.2Å
566L28.1Very low28.4Very low163 Ų163150.5 Ų150.585%0.85382%0.822SS**  trans-9057171.7-75.8170000112
567K28.7Very low28.5Very low209 Ų209146.3 Ų146.391%0.90982%0.816SS**  trans-140.957.9162.8-78.8-171.9-178.7169.60111.1A565A565-K567 VanDerWaalsContact C-N 3.31Å; A565-K567 PolarHBondContact O-N 3.2Å
568S26.5Very low28.4Very low81 Ų81146.8 Ų146.857%0.56682%0.819SS**  trans-134.898.5161.461.70000110.7S570S568-S570 VanDerWaalsContact C-N 3.26Å; S568-S570 PolarHBondContact O-N 3.48Å
569S29.1Very low28.4Very low131 Ų131149 Ų14992%0.91682%0.815SS**  trans-69.280.5159.649.70000109.3
570S28.8Very low28.3Very low87 Ų87151.5 Ų151.561%0.60882%0.816SS**  trans-154.510170.565.80000115.7S568S568-S570 VanDerWaalsContact C-N 3.26Å; S568-S570 PolarHBondContact O-N 3.48Å
571L28.7Very low28.2Very low148 Ų148148 Ų14878%0.77581%0.809SS**  trans-109.945.6179.6-76.8170.8000113.3
572Q28.2Very low28.3Very low202 Ų202148.3 Ų148.394%0.94481%0.81SS**SBendtrans-112.616.4172.6-132.9176.80.900114.2
573S26.8Very low28.4Very low106 Ų106148.3 Ų148.374%0.74180%0.804SS**SBendtrans-133.4917861.90000116.7
574S26.7Very low28.2Very low99 Ų99150.5 Ų150.569%0.69280%0.804SS**SBendtrans-105.611.8-177.7-62.10000115.8
575Q27.7Very low28.2Very low197 Ų197151.2 Ų151.292%0.92180%0.802SS**SBendtrans-97.86.3-177.3-131.3178.612.800116.1
576E26.9Very low28.3Very low195 Ų195153.3 Ų153.391%0.91181%0.806SS**SBendtrans-113.60.5179.4-81.7-171147.700116.7
577S30.1Very low28.4Very low99 Ų99149.2 Ų149.269%0.69279%0.791SS**SBendtrans-99.32.8-172.8-160.80000117.2
578N27.3Very low28.3Very low162 Ų162147.1 Ų147.187%0.86678%0.784SS**THydrogen-bonded Turntrans-98.116.1-174.8-83.9-4.8000115.9
579R29.2Very low28.4Very low231 Ų231146.9 Ų146.987%0.87279%0.787SS**THydrogen-bonded Turntrans-102.71.7177.1-135.9179.3-140.2-130.23.1115.3
580W26.6Very low28.3Very low239 Ų239143.5 Ų143.591%0.90577%0.767SS**SBendtrans-134.859-171.7-82.461.7000112.9
581T31Very low28.2Very low121 Ų121147 Ų14774%0.74277%0.772SS**SBendtrans-143.95.2163.741.30000114.9S583T581-S583 PolarHBondContact O-N 3.34Å
582Q28Very low28.1Very low205 Ų205146.3 Ų146.396%0.95877%0.766SS**THydrogen-bonded Turntrans-89.711.3-176.1-133.6175.419.900115.1
583S32.2Very low28.1Very low96 Ų96140.3 Ų140.367%0.67175%0.751SS**THydrogen-bonded Turntrans-111.44.9-172.978.50000116.9T581T581-S583 PolarHBondContact O-N 3.34Å
584N26.9Very low28Very low132 Ų132138.8 Ų138.871%0.70674%0.74SS**SBendtrans-133.511.5-174-89.3-9.2000116.6
585Q28.9Very low28.1Very low187 Ų187141 Ų14187%0.87475%0.745SS**THydrogen-bonded Turntrans-87.82.9176-80.7-164.5-18.800115
586T29Very low27.8Very low130 Ų130140.2 Ų140.280%0.79873%0.734SS**THydrogen-bonded Turntrans-83.9-4.2179.936.70000115
587S29.5Very low27.8Very low77 Ų77138.3 Ų138.354%0.53873%0.73SS.*SBendtrans-106.9-13.5-174.647.10000116.3
588E27Very low27.7Very low164 Ų164138.3 Ų138.377%0.76673%0.725SS**Hα-helixtrans-88.2-33.6-175.9-145.2170.2-162.700112.8A590 F591E588-A590 VanDerWaalsContact C-N 3.32Å; E588-A590 PolarHBondContact O-N 3.48Å; E588-F591 PolarHBondContact O-N 3.34Å
589A27.5Very low27.5Very low76 Ų76141.5 Ų141.563%0.62873%0.725SS**Hα-helixtrans-68.6-29.2176.300000113.1F591 M592 A593A589-F591 VanDerWaalsContact C-N 3.31Å; A589-F591 PolarHBondContact O-N 3.43Å; A589-M592 PolarHBondContact O-N 2.92Å; A589-A593 PolarHBondContact O-N 3.48Å
590A27.5Very low27.6Very low60 Ų60134.3 Ų134.350%0.49671%0.707SS.*Hα-helixtrans-68.7-29.8176.700000112.5E588 S594E588-A590 VanDerWaalsContact C-N 3.32Å; E588-A590 PolarHBondContact O-N 3.48Å; A590-S594 PolarHBondContact O-OG 3.22Å; A590-S594 VanDerWaalsContact O-OG 3.06Å
591F26.7Very low27.7Very low161 Ų161130 Ų13071%0.70670%0.701SS**Hα-helixtrans-72.7-37176-101-82.8000112.1E588 A589 A593 S594E588-F591 PolarHBondContact O-N 3.34Å; A589-F591 VanDerWaalsContact C-N 3.31Å; A589-F591 PolarHBondContact O-N 3.43Å; F591-A593 VanDerWaalsContact C-N 3.29Å; F591-A593 PolarHBondContact O-N 3.3Å; F591-S594 PolarHBondContact O-N 3.5Å
592M27.4Very low27.6Very low134 Ų134130.7 Ų130.766%0.6670%0.696SS**Hα-helixtrans-70.4-24.4177.4-65.3-157.574.400113.4A589 S594 Y596A589-M592 PolarHBondContact O-N 2.92Å; M592-S594 VanDerWaalsContact C-N 3.31Å; M592-Y596 WeakPolarHBondContact O-CD2 3.25Å
593A27.5Very low27.7Very low75 Ų75128.8 Ų128.862%0.6269%0.693SS**Hα-helixtrans-77-15.8175.200000113.6A589 F591A589-A593 PolarHBondContact O-N 3.48Å; F591-A593 VanDerWaalsContact C-N 3.29Å; F591-A593 PolarHBondContact O-N 3.3Å
594S25.4Very low27.4Very low75 Ų75133.5 Ų133.552%0.52470%0.697SS.*Hα-helixtrans-82.9-20.5-173.4-60.10000114A590 F591 M592A590-S594 PolarHBondContact O-OG 3.22Å; A590-S594 VanDerWaalsContact O-OG 3.06Å; F591-S594 PolarHBondContact O-N 3.5Å; M592-S594 VanDerWaalsContact C-N 3.31Å
595D27.3Very low27.3Very low146 Ų146130.8 Ų130.878%0.78169%0.693SS**SBendtrans-104.9-3.6-175.3-72.7-18.1000114.5L597D595-L597 VanDerWaalsContact C-N 3.29Å; D595-L597 PolarHBondContact O-N 3.29Å
596Y23Very low27.2Very low179 Ų179126.2 Ų126.270%0.70268%0.68SS**  trans-92.832.2172.5-75.8-83.2000113.2M592 V598M592-Y596 WeakPolarHBondContact O-CD2 3.25Å; Y596-V598 PolarHBondContact O-N 3.41Å
597L27Very low27.1Very low156 Ų156127.8 Ų127.882%0.81768%0.682SS**  trans-75.772.7158.2-88.4156.6000108.2D595 R599D595-L597 VanDerWaalsContact C-N 3.29Å; D595-L597 PolarHBondContact O-N 3.29Å; L597-R599 PolarHBondContact O-N 2.97Å
598V26.3Very low27Very low99 Ų99132.1 Ų132.160%0.669%0.692SS**  trans-55.5121.5165.5177.80000106.4Y596 T600Y596-V598 PolarHBondContact O-N 3.41Å; V598-T600 HydrophobicContact CG1-CG2 4.02Å; V598-T600 PolarHBondContact O-N 2.83Å
599R24.6Very low27Very low229 Ų229130.4 Ų130.486%0.86469%0.688SS**  trans-5485.5166-76.9170.8142.5145.5-6.1108.9L597L597-R599 PolarHBondContact O-N 2.97Å
600T30.1Very low26.9Very low80 Ų80133.9 Ų133.949%0.49170%0.696SS.*  trans-97.795.6165.149.50000106V598 H602V598-T600 HydrophobicContact CG1-CG2 4.02Å; V598-T600 PolarHBondContact O-N 2.83Å; T600-H602 PolarHBondContact O-N 2.94Å
601D29.2Very low26.8Very low147 Ų147135.6 Ų135.679%0.78670%0.704SS**  trans-66.549.4166.9-66.9-38.9000110.3
602H29.9Very low26.8Very low137 Ų137135.5 Ų135.563%0.63471%0.71SS**  trans-119.8107.4-179.4-68.6-25.7000107.1T600 Y604T600-H602 PolarHBondContact O-N 2.94Å; H602-Y604 HydrophobicContact CB-CE2 4.45Å; H602-Y604 WeakPolarHBondContact O-CD2 3.11Å; H602-Y604 PolarHBondContact O-N 2.79Å
603D29.8Very low26.7Very low165 Ų165135 Ų13588%0.88271%0.71SS**  trans-48.688.6160.7-64-51.5000108.5A605D603-A605 PolarHBondContact O-N 2.94Å
604Y25.7Very low26.6Very low194 Ų194140.4 Ų140.476%0.76172%0.722SS**  trans-70.982.1161.6-82-84000106.2H602 P606H602-Y604 HydrophobicContact CB-CE2 4.45Å; H602-Y604 WeakPolarHBondContact O-CD2 3.11Å; H602-Y604 PolarHBondContact O-N 2.79Å; Y604-P606 VanDerWaalsContact O-CD 3.32Å; Y604-P606 WeakPolarHBondContact O-CD 3.36Å
605A24Very low26.5Very low75 Ų75142 Ų14262%0.6274%0.74SS**  trans-57.5117.9149.400000105.5D603 L607D603-A605 PolarHBondContact O-N 2.94Å; A605-L607 PolarHBondContact O-N 2.77Å
606P27.3Very low26.3Very low92 Ų92139.9 Ų139.960%0.59774%0.737SS**  trans-60.3110176.523.4-30.5000107.2Y604 F608Y604-P606 VanDerWaalsContact O-CD 3.32Å; Y604-P606 WeakPolarHBondContact O-CD 3.36Å; P606-F608 HydrophobicContact CB-CD2 3.81Å; P606-F608 HydrophobicContact CB-CE2 3.53Å; P606-F608 HydrophobicContact CB-CZ 4.14Å; P606-F608 HydrophobicContact CG-CD2 3.94Å; P606-F608 HydrophobicContact CG-CE2 3.53Å; P606-F608 HydrophobicContact CG-CZ 4.44Å; P606-F608 PolarHBondContact O-N 2.77Å
607L26.3Very low26.3Very low163 Ų163136.4 Ų136.485%0.85375%0.745SS**  trans-65.579.7163.9-70.8168.3000106.2A605 D609A605-L607 PolarHBondContact O-N 2.77Å; L607-D609 PolarHBondContact O-N 2.66Å
608F27Very low26.2Very low168 Ų168139 Ų13974%0.73774%0.744SS**  trans-68.498.7156.3-68.4-74000104.5P606 D610P606-F608 HydrophobicContact CB-CD2 3.81Å; P606-F608 HydrophobicContact CB-CE2 3.53Å; P606-F608 HydrophobicContact CB-CZ 4.14Å; P606-F608 HydrophobicContact CG-CD2 3.94Å; P606-F608 HydrophobicContact CG-CE2 3.53Å; P606-F608 HydrophobicContact CG-CZ 4.44Å; P606-F608 PolarHBondContact O-N 2.77Å; F608-D610 PolarHBondContact O-N 3.05Å
609D27.6Very low26.1Very low127 Ų127140.9 Ų140.968%0.67975%0.75SS**  trans-53.7111165.2-90.2-44.4000106.7L607 S611L607-D609 PolarHBondContact O-N 2.66Å; D609-S611 PolarHBondContact O-N 3Å; D609-S611 PolarHBondContact O-OG 2.9Å
610D25.3Very low26.3Very low149 Ų149135.9 Ų135.980%0.79775%0.745SS**THydrogen-bonded Turntrans-59.417.3170.8-86.8-30.1000113F608 L612F608-D610 PolarHBondContact O-N 3.05Å; D610-L612 PolarHBondContact O-N 3.33Å
611S26.6Very low25.9Very low97 Ų97135.9 Ų135.968%0.67876%0.761SS**THydrogen-bonded Turntrans-71.2-5.6175.962.40000113.9D609 N613D609-S611 PolarHBondContact O-N 3Å; D609-S611 PolarHBondContact O-OG 2.9Å; S611-N613 VanDerWaalsContact C-N 3.26Å; S611-N613 PolarHBondContact O-N 3.08Å
612L26.2Very low25.8Very low159 Ų159137.9 Ų137.983%0.83277%0.766SS**  trans-88.244.3173.9-77.4169.6000113.2D610D610-L612 PolarHBondContact O-N 3.33Å
613N24.8Very low25.5Very low122 Ų122140.2 Ų140.265%0.65277%0.774SS**SBendtrans-138.1132.6162.7-84.1-48.4000109.3S611S611-N613 VanDerWaalsContact C-N 3.26Å; S611-N613 PolarHBondContact O-N 3.08Å
614H25.1Very low25.3Very low190 Ų190138.5 Ų138.588%0.8877%0.772SS**  trans95.642.5176.3-43.4-57.5000118.6S616H614-S616 PolarHBondContact O-N 2.86Å
615A23.5Very low25.1Very low108 Ų108135.4 Ų135.489%0.89378%0.777SS**  trans-93.883.6151.900000109.7A617A615-A617 PolarHBondContact O-N 3.05Å
616S22.5Very low25.1Very low102 Ų102134.6 Ų134.671%0.71378%0.776SS**  trans-57130.5166.6-1780000109.8H614 R618H614-S616 PolarHBondContact O-N 2.86Å; S616-R618 VanDerWaalsContact C-N 3.34Å; S616-R618 PolarHBondContact O-N 3.17Å
617A24.3Very low24.9Very low106 Ų106137.1 Ų137.188%0.87679%0.79SS**  trans-70.487.1176.500000110.5A615A615-A617 PolarHBondContact O-N 3.05Å
618R24.2Very low25Very low210 Ų210137 Ų13779%0.79279%0.789SS**  trans-135.8111.8166.7-101.1-172.7170.5136.4-0.3111.1S616S616-R618 VanDerWaalsContact C-N 3.34Å; S616-R618 PolarHBondContact O-N 3.17Å
619D25.2Very low25Very low138 Ų138132.8 Ų132.874%0.73878%0.781SS**  trans59.1116.2134.6-76.6-33.9000120.5
620V27Very low25.1Very low125 Ų125134.8 Ų134.876%0.75879%0.792SS**  trans75.593.5133.7-172.60000116.7E622V620-E622 PolarHBondContact O-N 3.26Å
621G23.2Very low25.4Very low80 Ų80133.9 Ų133.983%0.82579%0.791SS**  65.244.7114.700000118
622E25.8Very low25.6Very low188 Ų188134.3 Ų134.388%0.87979%0.79SS**  trans-94.1123.1163-74-169156.800111V620V620-E622 PolarHBondContact O-N 3.26Å
623K23.9Very low25.8Very low186 Ų186134.9 Ų134.981%0.80979%0.789SS**  trans-55.7150.7178.6-75.6170176171.90110.9C625K623-C625 PolarHBondContact O-N 2.94Å
624P25.6Very low26.1Very low130 Ų130136.2 Ų136.284%0.84479%0.791SS**  trans-58.9109.3176.425.1-33000109.6G626P624-G626 PolarHBondContact O-N 3Å
625C22.7Very low26.2Very low128 Ų128133.7 Ų133.787%0.86578%0.784SS**  trans-57.6121.7156.1-65.10000105.6K623K623-C625 PolarHBondContact O-N 2.94Å
626G23.2Very low26.2Very low58 Ų58133.5 Ų133.560%0.59878%0.775SS**  91.496.166.700000106.2P624 L628P624-G626 PolarHBondContact O-N 3Å; G626-L628 PolarHBondContact O-N 2.94Å; G626-L628 VanDerWaalsContact O-N 3.1Å
627T22.8Very low26.6Very low146 Ų146134 Ų13490%0.89677%0.769SS**  trans-40.2105.6176.242.70000113.1
628L28.6Very low26.8Very low160 Ų160135.4 Ų135.484%0.83876%0.76SS**  trans-89.7104.8155.2-84.2119.5000106.4G626G626-L628 PolarHBondContact O-N 2.94Å; G626-L628 VanDerWaalsContact O-N 3.1Å
629S27.3Very low26.8Very low80 Ų80127.6 Ų127.656%0.55975%0.745SS**  57.797.577.674.70000113.4T631S629-T631 PolarHBondContact O-N 3.28Å
630D30.4Very low26.9Very low169 Ų169128.2 Ų128.290%0.90474%0.741SS**  trans56.242.5143.1-64.4-14.7000120.8
631T31.4Very low27Very low129 Ų129125.5 Ų125.579%0.79173%0.732SS**  trans-111.5110.3151.656.90000109.3S629 Q633S629-T631 PolarHBondContact O-N 3.28Å; T631-Q633 PolarHBondContact O-N 2.99Å
632T30.9Very low27.3Very low106 Ų106124.6 Ų124.665%0.6572%0.717SS**  trans-37.8116.1177.643.70000111.9E634T632-E634 PolarHBondContact O-N 2.92Å
633Q29.9Very low27.4Very low172 Ų172121.6 Ų121.680%0.80471%0.706SS**THydrogen-bonded Turntrans-64.28.4-174.7-147.3171.113.200114.4T631T631-Q633 PolarHBondContact O-N 2.99Å
634E29.9Very low27.6Very low150 Ų150119.1 Ų119.170%0.70170%0.702SS**THydrogen-bonded Turntrans-82.8-31.5-173-66.6-176.2158.800112.4T632 C636 L637T632-E634 PolarHBondContact O-N 2.92Å; E634-C636 VanDerWaalsContact C-N 3.28Å; E634-C636 PolarHBondContact O-N 3.4Å; E634-L637 PolarHBondContact O-N 2.79Å
635D28.1Very low27.8Very low137 Ų137116.9 Ų116.973%0.73369%0.694SS**Hα-helixtrans-73.6-18.8-178.6-71.1-21.2000113.5
636C24Very low28.3Very low104 Ų104116.9 Ų116.970%0.70368%0.679SS**Hα-helixtrans-89.2-9179.9-100.40000114.1E634E634-C636 VanDerWaalsContact C-N 3.28Å; E634-C636 PolarHBondContact O-N 3.4Å
637L29.6Very low28.8Very low113 Ų113122.9 Ų122.959%0.59269%0.692SS**Hα-helixtrans-85.1-29.7-179.4-76170000112.9E634 G639 K640 A641E634-L637 PolarHBondContact O-N 2.79Å; L637-G639 VanDerWaalsContact C-N 3.33Å; L637-G639 PolarHBondContact O-N 3.33Å; L637-K640 PolarHBondContact O-N 3.13Å; L637-A641 PolarHBondContact O-N 2.7Å
638I28.8Very low29.3Very low134 Ų134124.8 Ų124.869%0.68768%0.683SS**Hα-helixtrans-65.8-38.3-179.5-63.3172.7000110.6A642I638-A642 PolarHBondContact O-N 3.07Å
639G25.1Very low29.6Very low46 Ų46119.7 Ų119.747%0.47466%0.66SS.*Hα-helixtrans-68.4-34.6174.500000114.1L637L637-G639 VanDerWaalsContact C-N 3.33Å; L637-G639 PolarHBondContact O-N 3.33Å
640K26.9Very low29.9Very low152 Ų152121.9 Ų121.966%0.66166%0.657SS**Hα-helixtrans-77.2-33.9178.7-92.8-178.5176.7173.40113.3L637 L643 N644L637-K640 PolarHBondContact O-N 3.13Å; K640-L643 PolarHBondContact O-N 2.79Å; K640-N644 PolarHBondContact O-N 3.01Å
641A28.2Very low30.6Very low68 Ų68116.6 Ų116.656%0.56263%0.629SS**Hα-helixtrans-68.1-41.8178.300000111.5L637 L643 N644L637-A641 PolarHBondContact O-N 2.7Å; A641-L643 VanDerWaalsContact C-N 3.28Å; A641-L643 PolarHBondContact O-N 2.84Å; A641-N644 PolarHBondContact O-N 2.82Å
642A29.3Very low31.5Very low61 Ų61120 Ų12050%0.50464%0.636SS.*Hα-helixtrans-62.6-34.5177.700000112.6I638I638-A642 PolarHBondContact O-N 3.07Å
643L28.5Very low32.7Very low125 Ų125121.4 Ų121.465%0.65464%0.64SS**Hα-helixtrans-81.2-22179.4-80.9166.1000114.5K640 A641 A645K640-L643 PolarHBondContact O-N 2.79Å; A641-L643 VanDerWaalsContact C-N 3.28Å; A641-L643 PolarHBondContact O-N 2.84Å; L643-A645 VanDerWaalsContact C-N 3.29Å; L643-A645 PolarHBondContact O-N 3.44Å
644N28Very low33.3Very low134 Ų134115.5 Ų115.572%0.71763%0.625SS**Hα-helixtrans-78.1-12.9176.1-96.4-7.8000113.5K640 A641 F646K640-N644 PolarHBondContact O-N 3.01Å; A641-N644 PolarHBondContact O-N 2.82Å; N644-F646 VanDerWaalsContact C-N 3.26Å
645A30.1Very low33.7Very low82 Ų82114.2 Ų114.268%0.67862%0.619SS**THydrogen-bonded Turntrans-77.6-10.5174.700000113.4L643 E647L643-A645 VanDerWaalsContact C-N 3.29Å; L643-A645 PolarHBondContact O-N 3.44Å; A645-E647 PolarHBondContact O-N 2.91Å
646F32.3Very low34Very low128 Ų128114.7 Ų114.756%0.56162%0.616SS**SBendtrans-85.594.3172.6-68.7-80.9000109N644 R648N644-F646 VanDerWaalsContact C-N 3.26Å; F646-R648 PolarHBondContact O-N 3.28Å
647E34.1Very low34.5Very low185 Ų185113 Ų11386%0.86460%0.603SS**  trans-49.5113.6166.5-82-173.114800108.7A645 S649A645-E647 PolarHBondContact O-N 2.91Å; E647-S649 PolarHBondContact O-N 3.39Å
648R34.8Very low34.6Very low185 Ų185114.8 Ų114.870%0.69861%0.612SS**  trans-69.494.7178.9-64.9179.3-176.9178.50.4108.5F646 Y650F646-R648 PolarHBondContact O-N 3.28Å; R648-Y650 HydrophobicContact CB-CE2 3.87Å; R648-Y650 WeakPolarHBondContact O-CD2 3.45Å
649S33.8Very low34.7Very low53 Ų53114.7 Ų114.737%0.37161%0.613SS.*PPolyproline II helixtrans-76.4124.216733.40000109.3E647 T657E647-S649 PolarHBondContact O-N 3.39Å; S649-T657 PolarHBondContact O-N 2.85Å; S649-T657 PolarHBondContact O-OG1 2.94Å; S649-T657 PolarHBondContact OG-O 3.13Å
650Y33.1Very low34.9Very low126 Ų126117.6 Ų117.649%0.49462%0.621SS.*BIsolated β-bridgetrans-102.4139.1171.6-64.9-93.3000108R648 Q656R648-Y650 HydrophobicContact CB-CE2 3.87Å; R648-Y650 WeakPolarHBondContact O-CD2 3.45Å; Y650-Q656 HydrophobicContact CD1-CG 4.3Å; Y650-Q656 HydrophobicContact CE1-CG 3.96Å
651D46.6Very low34.9Very low58 Ų58115.5 Ų115.531%0.3163%0.626SS.*PPolyproline II helixtrans-69.8173167.374.69.7000111.2D653 G654 H655 T657D651-D653 PolarHBondContact O-N 3.1Å; D651-D653 VanDerWaalsContact OD1-C 3.27Å; D651-D653 WeakPolarHBondContact OD1-CA 3.39Å; D651-D653 PolarHBondContact OD1-N 3.31Å; D651-G654 PolarHBondContact O-N 3.45Å; D651-G654 VanDerWaalsContact O-N 3.13Å; D651-G654 PolarHBondContact OD1-N 3.22Å; D651-H655 PolarHBondContact N-O 2.76Å; D651-H655 PolarHBondContact OD1-N 3.26Å; D651-H655 WeakPolarHBondContact OD2-CB 3.35Å; D651-H655 IonicContact OD2-CD2 3.87Å; D651-T657 HydrophobicContact CB-CG2 4.24Å
652Q49.5Very low34.8Very low202 Ų202117.5 Ų117.594%0.94463%0.631SS**THydrogen-bonded Turntrans-65.3-15.9179.6-69-171.6-1.900113.6
653D56.8Low34.6Very low135 Ų135118.9 Ų118.972%0.72264%0.642SS**THydrogen-bonded Turntrans-96.30.2179.4-65.4-38.6000112D651D651-D653 PolarHBondContact O-N 3.1Å; D651-D653 VanDerWaalsContact OD1-C 3.27Å; D651-D653 WeakPolarHBondContact OD1-CA 3.39Å; D651-D653 PolarHBondContact OD1-N 3.31Å
654G41.6Very low34.5Very low48 Ų48120.3 Ų120.350%0.49565%0.65SS.*SBendtrans83.211.5178.400000114.4D651D651-G654 PolarHBondContact O-N 3.45Å; D651-G654 VanDerWaalsContact O-N 3.13Å; D651-G654 PolarHBondContact OD1-N 3.22Å
655H38.3Very low34.3Very low123 Ų123121.3 Ų121.357%0.56965%0.654SS**  trans-85.6144.5173.5-57.8-64.5000111.3D651D651-H655 PolarHBondContact N-O 2.76Å; D651-H655 PolarHBondContact OD1-N 3.26Å; D651-H655 WeakPolarHBondContact OD2-CB 3.35Å; D651-H655 IonicContact OD2-CD2 3.87Å
656Q34Very low34.2Very low146 Ų146122.8 Ų122.868%0.68266%0.657SS**BIsolated β-bridgetrans-76.1124.3179.9-72.5176-1.900110Y650Y650-Q656 HydrophobicContact CD1-CG 4.3Å; Y650-Q656 HydrophobicContact CE1-CG 3.96Å
657T34.4Very low34Very low68 Ų68125.2 Ų125.242%0.41767%0.67SS.*  trans-110.5119.1171.450.50000109.1S649 D651S649-T657 PolarHBondContact O-N 2.85Å; S649-T657 PolarHBondContact O-OG1 2.94Å; S649-T657 PolarHBondContact OG-O 3.13Å; D651-T657 HydrophobicContact CB-CG2 4.24Å
658L31.5Very low33.7Very low151 Ų151125.7 Ų125.779%0.79167%0.672SS**  trans-84.7109.2172-89.7154.9000108.8V660L658-V660 HydrophobicContact CB-CG2 4.41Å; L658-V660 PolarHBondContact O-N 2.92Å
659D31.6Very low33.4Very low133 Ų133120.7 Ų120.771%0.71166%0.662SS**  trans-90.191.6175-140.3-6.8000108.8S661D659-S661 PolarHBondContact O-N 3.42Å
660V29.2Very low33.3Very low106 Ų106121.7 Ų121.764%0.64267%0.669SS**  trans-87.797.4-177.6-174.60000109.2L658 V662L658-V660 HydrophobicContact CB-CG2 4.41Å; L658-V660 PolarHBondContact O-N 2.92Å; V660-V662 HydrophobicContact CG1-CG2 3.98Å; V660-V662 PolarHBondContact O-N 3.18Å
661S27.5Very low33.4Very low108 Ų108120.5 Ų120.576%0.75568%0.679SS**  trans-85.596.1172.4-58.50000110.2D659 A663D659-S661 PolarHBondContact O-N 3.42Å; S661-A663 PolarHBondContact O-N 3.32Å
662V26.1Very low32.8Very low111 Ų111122.7 Ų122.767%0.67370%0.699SS**  trans-80.5100.3171.4-175.40000108.6V660 L664V660-V662 HydrophobicContact CG1-CG2 3.98Å; V660-V662 PolarHBondContact O-N 3.18Å; V662-L664 HydrophobicContact CG1-CD2 4.35Å; V662-L664 HydrophobicContact CG1-CG 4.42Å; V662-L664 PolarHBondContact O-N 2.85Å
663A25.3Very low32.1Very low89 Ų89118.4 Ų118.474%0.73668%0.679SS**  trans-72.396.6166.700000108.5S661 L665S661-A663 PolarHBondContact O-N 3.32Å; A663-L665 VanDerWaalsContact C-N 3.34Å; A663-L665 PolarHBondContact O-N 2.87Å
664L25Very low30.9Very low156 Ų156121.9 Ų121.982%0.81768%0.682SS**  trans-64.697.9168.1-70.9168.2000107.9V662V662-L664 HydrophobicContact CG1-CD2 4.35Å; V662-L664 HydrophobicContact CG1-CG 4.42Å; V662-L664 PolarHBondContact O-N 2.85Å
665L25.2Very low30.9Very low154 Ų154128.2 Ų128.281%0.80670%0.699SS**  trans-56.2128.6169.3-84.1158.7000107.9A663 Q667A663-L665 VanDerWaalsContact C-N 3.34Å; A663-L665 PolarHBondContact O-N 2.87Å; L665-Q667 PolarHBondContact O-N 3.05Å
666P27.7Very low30.9Very low114 Ų114129.4 Ų129.474%0.7471%0.709SS**  trans-60.9109.3173.922.5-29.4000107.6Q668P666-Q668 PolarHBondContact O-N 3.45Å; P666-Q668 VanDerWaalsContact O-N 3.08Å
667Q27.4Very low31.1Very low178 Ų178128.2 Ų128.283%0.83270%0.703SS**  trans-48.1121.7170.7-83.6-178.1-22.200107.4L665 V669L665-Q667 PolarHBondContact O-N 3.05Å; Q667-V669 WeakPolarHBondContact O-CG2 3.29Å; Q667-V669 PolarHBondContact O-N 2.96Å
668Q29.3Very low31.2Very low196 Ų196133.8 Ų133.892%0.91673%0.725SS**  trans-66.787.8172.8-74-150.6-34.800107.9P666 S670P666-Q668 PolarHBondContact O-N 3.45Å; P666-Q668 VanDerWaalsContact O-N 3.08Å; Q668-S670 PolarHBondContact O-N 3.43Å; Q668-S670 VanDerWaalsContact O-N 3.08Å
669V28.7Very low31.4Very low80 Ų80137.7 Ų137.749%0.48573%0.729SS.*  trans-61.6114.9170.2-141.80000106.1Q667 S671 Q673Q667-V669 WeakPolarHBondContact O-CG2 3.29Å; Q667-V669 PolarHBondContact O-N 2.96Å; V669-S671 PolarHBondContact O-N 2.78Å; V669-Q673 HydrophobicContact CG1-CB 4.16Å
670S30.2Very low31.7Very low74 Ų74135.9 Ų135.952%0.51773%0.733SS.*  trans-41.5134.4175.21690000109.9Q668 S672 Q673Q668-S670 PolarHBondContact O-N 3.43Å; Q668-S670 VanDerWaalsContact O-N 3.08Å; S670-S672 PolarHBondContact O-N 3.42Å; S670-S672 PolarHBondContact OG-OG 2.96Å; S670-Q673 PolarHBondContact O-N 3.27Å
671S34.8Very low31.7Very low101 Ų101138.3 Ų138.371%0.70674%0.739SS**G310 helixtrans-55.8-15.8-175.748.30000114.2V669 Q673V669-S671 PolarHBondContact O-N 2.78Å; S671-Q673 VanDerWaalsContact C-N 3.25Å; S671-Q673 PolarHBondContact O-N 3.49Å
672S35.5Very low32.2Very low104 Ų104138.6 Ų138.673%0.72774%0.738SS**G310 helixtrans-68-20.4173.169.20000114.1S670S670-S672 PolarHBondContact O-N 3.42Å; S670-S672 PolarHBondContact OG-OG 2.96Å
673Q33.5Very low32.7Very low111 Ų111139.4 Ų139.452%0.51974%0.743SS.*G310 helixtrans-102.412.4-175.4-148.2160.83.200113.4V669 S670 S671 Q675V669-Q673 HydrophobicContact CG1-CB 4.16Å; S670-Q673 PolarHBondContact O-N 3.27Å; S671-Q673 VanDerWaalsContact C-N 3.25Å; S671-Q673 PolarHBondContact O-N 3.49Å; Q673-Q675 PolarHBondContact O-N 3.05Å
674R32.6Very low33.3Very low209 Ų209143.9 Ų143.979%0.78975%0.749SS**THydrogen-bonded Turntrans-75.3-5179.4-77.3-169175.5-139.40.1114.9
675Q41.2Very low33.7Very low181 Ų181143.8 Ų143.885%0.84675%0.747SS**THydrogen-bonded Turntrans-93.8-11.5-177-67.9-152.6-5.700115.9Q673Q673-Q675 PolarHBondContact O-N 3.05Å
676N38.7Very low34.3Very low147 Ų147142 Ų14279%0.78674%0.744SS**SBendtrans-115.810.7-174.5-79.8-15.9000116.4Q678N676-Q678 PolarHBondContact O-N 3.09Å
677H38.3Very low34.9Very low121 Ų121146.4 Ų146.456%0.5675%0.752SS**  trans-101.659.4169.5-59.3-56.2000110.4W679H677-W679 VanDerWaalsContact C-N 3.29Å; H677-W679 PolarHBondContact O-N 3.24Å
678Q36Very low35.4Very low185 Ų185145.9 Ų145.986%0.86475%0.749SS**  trans-67.9102154.9-145.9173.522.300104.8N676 A680N676-Q678 PolarHBondContact O-N 3.09Å; Q678-A680 PolarHBondContact O-N 3.37Å
679W36.5Very low36Very low233 Ų233144.6 Ų144.688%0.88374%0.744SS**  trans-49.7109.8176.2-67.684.4000107.4H677 M681H677-W679 VanDerWaalsContact C-N 3.29Å; H677-W679 PolarHBondContact O-N 3.24Å; W679-M681 PolarHBondContact O-N 3.46Å
680A36Very low36.4Very low95 Ų95147.7 Ų147.779%0.78576%0.757SS**  trans-61.197.817100000105.5Q678Q678-A680 PolarHBondContact O-N 3.37Å
681M30Very low37Very low158 Ų158150.1 Ų150.178%0.77877%0.769SS**  trans-53.7126.3167.3-72.5-82.8-76.400105.2W679 T683W679-M681 PolarHBondContact O-N 3.46Å; M681-T683 PolarHBondContact O-N 3.27Å
682P38.1Very low37.1Very low113 Ų113148.4 Ų148.473%0.73477%0.767SS**  trans-54.1113.3178.819.4-29000106.7E684P682-E684 PolarHBondContact O-N 3.33Å
683T37.2Very low37.3Very low128 Ų128149.2 Ų149.279%0.78577%0.772SS**  trans-62.7108.9173.2-52.70000104.1M681 M685M681-T683 PolarHBondContact O-N 3.27Å; T683-M685 VanDerWaalsContact C-N 3.26Å; T683-M685 PolarHBondContact O-N 3Å
684E37.8Very low37.5Very low183 Ų183156.8 Ų156.886%0.85581%0.808SS**  trans-54.897.9173.6-71.5-178.2167.200106.4P682 P686P682-E684 PolarHBondContact O-N 3.33Å; E684-P686 VanDerWaalsContact O-CD 3.27Å; E684-P686 WeakPolarHBondContact O-CD 3.35Å
685M32.1Very low37.8Very low155 Ų155154.2 Ų154.276%0.76481%0.809SS**  trans-65.7119.4172.1-70.6-152-64.600105.6T683 F687T683-M685 VanDerWaalsContact C-N 3.26Å; T683-M685 PolarHBondContact O-N 3Å; M685-F687 PolarHBondContact O-N 3.32Å
686P39Very low37.6Very low116 Ų116152.7 Ų152.775%0.75381%0.807SS**  trans-60.5110.5174.424.4-30.6000106.5E684 E688E684-P686 VanDerWaalsContact O-CD 3.27Å; E684-P686 WeakPolarHBondContact O-CD 3.35Å; P686-E688 PolarHBondContact O-N 3.25Å
687F39Very low37.5Very low206 Ų206153.1 Ų153.190%0.90481%0.808SS**  trans-61.898.4164.2-81.2-90.8000105.7M685 Q689M685-F687 PolarHBondContact O-N 3.32Å; F687-Q689 PolarHBondContact O-N 2.72Å
688E39.4Very low37.5Very low167 Ų167154.9 Ų154.978%0.7882%0.823SS**  trans-61.587.6158.7-73.9-164.7156.300106.2P686 N690P686-E688 PolarHBondContact O-N 3.25Å; E688-N690 PolarHBondContact O-N 3.02Å
689Q40.8Very low37.6Very low170 Ų170153.1 Ų153.179%0.79482%0.82SS**  trans-66.292166.5-158.117226.400104.5F687 V691F687-Q689 PolarHBondContact O-N 2.72Å; Q689-V691 WeakPolarHBondContact O-CG2 3.47Å; Q689-V691 PolarHBondContact O-N 3.29Å
690N37.2Very low37.7Very low145 Ų145147.7 Ų147.778%0.77582%0.816SS**  trans-57.885.3166.4-88.4-44.7000106.9E688 G692E688-N690 PolarHBondContact O-N 3.02Å; N690-G692 PolarHBondContact O-N 3.35Å
691V43.1Very low37.8Very low125 Ų125151.5 Ų151.576%0.75882%0.818SS**  trans-71.480.9162.2-165.50000104.3Q689 S693Q689-V691 WeakPolarHBondContact O-CG2 3.47Å; Q689-V691 PolarHBondContact O-N 3.29Å; V691-S693 PolarHBondContact O-N 3.49Å
692G37.6Very low38.4Very low65 Ų65151 Ų15167%0.6782%0.821SS**  trans-53.5109.5170.400000107.7N690 Q694N690-G692 PolarHBondContact O-N 3.35Å; G692-Q694 PolarHBondContact O-N 3.4Å; G692-Q694 VanDerWaalsContact O-N 3.16Å
693S39.1Very low38.4Very low120 Ų120154.2 Ų154.284%0.83983%0.828SS**  trans-57.6108.9162.450.40000108.6V691V691-S693 PolarHBondContact O-N 3.49Å
694Q38.4Very low38.5Very low270 Ų270156.5 Ų156.5100%1.26283%0.832SS**  trans-1240153.4-82.1-163.3-5.500109G692G692-Q694 PolarHBondContact O-N 3.4Å; G692-Q694 VanDerWaalsContact O-N 3.16Å

Retrieved 694 of 694 residues in 653.9 ms (Link to these results)