A0A087YRL9_POEFO Loading...

APC membrane recruitment protein 1

AlphaFold DB , UniProt , Accession A0A087YRL9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 775 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
1A39.6Very low49.6Very low152 Ų152129.6 Ų129.6100%1.25681%0.805SS**  0147.9000000108.1
2S38.8Very low49.1Very low124 Ų124130.8 Ų130.887%0.86780%0.8SS**  trans32.5123.8166.9-500000121.6
3Q52.7Low48.5Very low157 Ų157128.9 Ų128.973%0.73479%0.788SS**  trans-64.6176.8156-108.2178.5-2.100112.5L5Q3-L5 VanDerWaalsContact NE2-CD1 3.33Å
4P68.2Low47.8Very low126 Ų126131 Ų13182%0.81879%0.785SS**  cis-138.7177.53636.7-15.5000117.8
5L49Very low47Very low124 Ų124133.2 Ų133.265%0.64978%0.784SS**  cis-151.8-84.8-31172.369.2000113.2Q3Q3-L5 VanDerWaalsContact NE2-CD1 3.33Å
6P69.8Low46.4Very low100 Ų100133.9 Ų133.965%0.64978%0.782SS**  trans-134.3163-159.543-24.5000118.5
7T37Very low47.3Very low142 Ų142132.3 Ų132.387%0.87178%0.777SS**  -166156.4106.5-630000108.8
8E41Very low46.3Very low177 Ų177131.9 Ų131.983%0.82778%0.782SS**  trans-109.3-176.7-158-85.1-175.214900114.3
9P64.1Low45.4Very low111 Ų111134.4 Ų134.472%0.72179%0.785SS**  cis-139-170.4-38.238-19.3000115.1
10D44.9Very low46.2Very low147 Ų147132.7 Ų132.779%0.78678%0.779SS**  trans-70.1176.4173.2-46.5-91.2000115.3
11G40.5Very low45.5Very low66 Ų66133.1 Ų133.168%0.6878%0.782SS**  cis143.2172.8-7.900000115.2
12I43.9Very low45.1Very low144 Ų144133.9 Ų133.974%0.73876%0.759SS**  trans74.9127.8147.2-60.9162.8000117.6
13T40.4Very low44.7Very low106 Ų106137 Ų13765%0.6576%0.76SS**  cis113.113736.5-99.20000110.7
14E39.7Very low43.9Very low158 Ų158135.4 Ų135.474%0.73876%0.761SS**  cis-163.5170.32.1-103152.6-126.500113
15E35.4Very low42.3Very low164 Ų164133.5 Ų133.577%0.76676%0.757SS**  trans56.8120.4157.9-69.1-159.5147.200123.6
16L37.5Very low41.6Very low144 Ų144138 Ų13875%0.75477%0.771SS**  79.915579.1-69.3178000116.8
17P61Low40.1Very low107 Ų107138.9 Ų138.970%0.69578%0.779SS**  cis-139.1-161.3-47.741.9-23.8000114.4
18S29.6Very low40.1Very low126 Ų126141.6 Ų141.688%0.88178%0.782SS**  trans110.2172.4160.578.30000119.9
19E28.9Very low40.1Very low178 Ų178143 Ų14383%0.83279%0.786SS**  trans-130.2-155.9-135-148.7-156.4154.100115.4
20P61.2Low39Very low101 Ų101142.7 Ų142.766%0.65679%0.792SS**  -114.6169.1-119.842.1-26.9000117.6
21V31.8Very low38.7Very low142 Ų142138.8 Ų138.886%0.86179%0.786SS**  trans-144.1146.6170.9-176.60000113.8
22H32.7Very low39Very low167 Ų167145.5 Ų145.577%0.77380%0.797SS**  trans-53159.5178.8-58.4-103.4000118.9
23E30.3Very low39.3Very low190 Ų190148.4 Ų148.489%0.88881%0.805SS**  -171.8-172.599.9-96.9-153.3160.100114.5
24T34.7Very low39.7Very low123 Ų123152.7 Ų152.776%0.75581%0.814SS**  trans-131.1139.9-149.659.30000118.8
25A34Very low40.4Very low87 Ų87157.3 Ų157.372%0.71983%0.825SS**  trans51.3129138.800000123.1
26K35Very low40.9Very low219 Ų219155.3 Ų155.395%0.95282%0.824SS**  trans-162.5156.3132.3-102138-167.31610111.7
27S38.7Very low41Very low118 Ų118153.2 Ų153.283%0.82583%0.827SS**  trans-108.4156.1-176.155.40000113.3
28Q37.5Very low40.4Very low199 Ų199154.9 Ų154.993%0.9383%0.83SS**  trans-119.4164.7169.8-74.7-173-48.600111.8
29K40.1Very low41.6Very low207 Ų207154 Ų15490%0.982%0.819SS**PPolyproline II helixtrans-93.2143.4-167.1-72.7177.1176.4172.80113G31K29-G31 PolarHBondContact O-N 2.64Å
30A41.3Very low42.5Very low103 Ų103155 Ų15585%0.85182%0.821SS**PPolyproline II helixtrans-65.6127.4171.100000112.7
31G38.3Very low41.7Very low65 Ų65159.2 Ų159.267%0.6783%0.83SS**PPolyproline II helixtrans-82.2150.7166.900000112K29K29-G31 PolarHBondContact O-N 2.64Å
32K47.2Very low42.1Very low207 Ų207155.3 Ų155.390%0.982%0.818SS**  trans-100.8106.1179.3-65.9-177.3-179.8-177.80110.9
33F49.3Very low42.6Very low205 Ų205154.2 Ų154.290%0.89982%0.823SS**PPolyproline II helixtrans-68.2135172-68.9-81.2000111.5
34K48.9Very low43.5Very low197 Ų197156.5 Ų156.586%0.85782%0.823SS**PPolyproline II helixtrans-91.1121.3169.5-68.9179179.9175.50108.4T36K34-T36 PolarHBondContact O-N 2.72Å
35R55.3Low44.4Very low255 Ų255159.5 Ų159.596%0.96283%0.826SS**PPolyproline II helixtrans-74.6119.7170.5-71.2178.3174.3150.1-3.1109.7
36T45.4Very low44.8Very low122 Ų122160.8 Ų160.875%0.74883%0.829SS**  trans-106.7120.5163.945.50000108.2K34K34-T36 PolarHBondContact O-N 2.72Å
37A40.8Very low45.3Very low99 Ų99157.3 Ų157.382%0.81882%0.82SS**  trans-73.5129.5179.100000110.6
38L47Very low45.5Very low142 Ų142157.2 Ų157.274%0.74382%0.818SS**  trans-88.9119.9170.7-64.7176.5000109.3F40L38-F40 PolarHBondContact O-N 2.87Å
39T55.7Low45.8Very low109 Ų109155.3 Ų155.367%0.66981%0.812SS**  trans-88.3101.4176.7520000110.5F41T39-F41 PolarHBondContact O-N 2.93Å
40F48.1Very low46.4Very low197 Ų197152.6 Ų152.686%0.86481%0.807SS**  trans-71.9118.9170.3-70.8-85.4000110.1L38L38-F40 PolarHBondContact O-N 2.87Å
41F43.5Very low46.3Very low191 Ų191152.4 Ų152.484%0.83880%0.797SS**  trans-108.4130176.5-84-85.6000111.2T39T39-F41 PolarHBondContact O-N 2.93Å
42G40.1Very low46.5Very low60 Ų60155.1 Ų155.162%0.61981%0.806SS**  trans106.159.3150.700000117.8R44G42-R44 PolarHBondContact O-N 3.06Å; G42-R44 VanDerWaalsContact O-N 3.14Å
43V42.6Very low46.6Very low144 Ų144153.3 Ų153.387%0.87380%0.798SS**  trans-57.4115155.6176.30000108.5
44R50.2Low46.4Very low237 Ų237153.8 Ų153.889%0.89480%0.8SS**  trans-90.9104.8176.9-60.3-173.1-167.8-164.35.5109.3G42 S46G42-R44 PolarHBondContact O-N 3.06Å; G42-R44 VanDerWaalsContact O-N 3.14Å; R44-S46 PolarHBondContact O-N 2.85Å
45K53.3Low45.7Very low186 Ų186148.4 Ų148.481%0.80980%0.801SS**  trans-64.2124167.6-67.9-175175.2-175.40109.1
46S42.3Very low44.7Very low114 Ų114139.7 Ų139.780%0.79779%0.791SS**  trans-63.9137.5164.241.40000109.2R44R44-S46 PolarHBondContact O-N 2.85Å
47I46.9Very low44.8Very low146 Ų146145.3 Ų145.375%0.74980%0.798SS**  trans-116.6110.4178.7-56.7177.4000107.5I49I47-I49 PolarHBondContact O-N 3.14Å
48C40.9Very low44.9Very low116 Ų116147.3 Ų147.378%0.78480%0.795SS**  trans-66.2114.4175.4-570000109.8L50C48-L50 PolarHBondContact O-N 2.84Å
49I45.7Very low44.9Very low159 Ų159149 Ų14982%0.81580%0.797SS**  trans-87.496.6177.5-57.1178.7000108.7I47I47-I49 PolarHBondContact O-N 3.14Å
50L51Low44.1Very low150 Ų150150.7 Ų150.779%0.78580%0.801SS**  trans-76.6137.3167.3-67175.7000110.2C48 S52C48-L50 PolarHBondContact O-N 2.84Å; L50-S52 PolarHBondContact O-N 3.3Å
51P39.4Very low43.7Very low100 Ų100148.8 Ų148.865%0.64980%0.795SS**  trans-73.7108.9177.728.1-31.7000110.8F53P51-F53 HydrophobicContact CB-CE2 4.1Å; P51-F53 HydrophobicContact CG-CE2 4.4Å; P51-F53 WeakPolarHBondContact O-CD2 3.33Å; P51-F53 PolarHBondContact O-N 3.43Å
52S43.1Very low43.4Very low122 Ų122146.6 Ų146.685%0.85379%0.792SS**  trans-74.5113.9177-176.80000111.4L50L50-S52 PolarHBondContact O-N 3.3Å
53F50.1Low43.8Very low169 Ų169153 Ų15374%0.74180%0.803SS**  trans-98.4150.3168.4-75-92.3000111.1P51P51-F53 HydrophobicContact CB-CE2 4.1Å; P51-F53 HydrophobicContact CG-CE2 4.4Å; P51-F53 WeakPolarHBondContact O-CD2 3.33Å; P51-F53 PolarHBondContact O-N 3.43Å
54F44Very low43.4Very low214 Ų214157.5 Ų157.594%0.93980%0.804SS**SBendtrans75.5111.8176.9-74.6-90.5000120.5
55G33.7Very low43.2Very low85 Ų85151.2 Ų151.288%0.87680%0.795SS**  trans117.8142.6137.900000117.7
56G35.2Very low42.4Very low72 Ų72148.3 Ų148.374%0.74280%0.798SS**  trans160.3-39.9158.600000121.7
57R46.6Very low42.8Very low240 Ų240152.6 Ų152.691%0.90680%0.802SS**  trans36.895.4169-169.2-170.381.3163.11.8119.3
58N44.3Very low42.9Very low141 Ų141155.6 Ų155.675%0.75481%0.81SS**  trans174164.613664.6109.6000110.1
59K47.3Very low43Very low178 Ų178153.5 Ų153.577%0.77481%0.807SS**  cis-154.7128.511.5-150.1169.9-173.5170.90111
60N38.8Very low43Very low143 Ų143152.9 Ų152.977%0.76580%0.804SS**  trans3.5134.6167.2-46.7-10.7000121.2
61Q39.1Very low42.6Very low157 Ų157149.3 Ų149.373%0.73480%0.804SS**  -178.4161.8103.4-94.8-57.2-3.700115
62N37.2Very low43Very low145 Ų145153.3 Ų153.378%0.77581%0.811SS**  trans75.9166.9164.3-61.1-30.4000119.5
63K47.9Very low43Very low195 Ų195153.3 Ų153.385%0.84881%0.811SS**  trans-142.5135.4-145.6-51.8166.3-174.7169.60114.8
64W33.5Very low42.8Very low238 Ų238155.4 Ų155.490%0.90281%0.814SS**  trans-158.4144.7138.8-158.6-100.7000110.4
65P46.4Very low43.2Very low106 Ų106151.6 Ų151.669%0.68881%0.808SS**  trans-78.6140.6177.830.6-35.7000113.1
66S37.5Very low43.9Very low125 Ų125155.2 Ų155.287%0.87480%0.802SS**  trans-132156.3162.5-171.70000110.4
67K50.8Low44.5Very low204 Ų204159.6 Ų159.689%0.88781%0.808SS**  trans-120.683.5-158.9-175.1-168.9173-172.60112.3
68K49.3Very low44.6Very low209 Ų209151.8 Ų151.891%0.90980%0.803SS**  trans-142150.2157.5-83.3-178.4176.6178.90106.9
69G41.2Very low44.6Very low71 Ų71153 Ų15373%0.73281%0.808SS**  cis128.561.914.100000108.4
70I46.4Very low43.9Very low147 Ų147149.3 Ų149.375%0.75480%0.804SS**  trans-92.2105.4-171.8-65.8172.5000108.8K72I70-K72 HydrophobicContact CG2-CG 3.99Å
71G42.1Very low43.8Very low75 Ų75151.6 Ų151.677%0.77381%0.807SS**  trans-67.9138.815800000109.5
72K49.5Very low43.5Very low183 Ų183150 Ų15080%0.79681%0.808SS**  trans-121.2121.6169.1-69.1-169.8175.7-173.80108.4I70I70-K72 HydrophobicContact CG2-CG 3.99Å
73S43Very low43.2Very low123 Ų123148.7 Ų148.786%0.8681%0.81SS**  trans-57.4139.4161.139.90000109.4
74R44.4Very low42.6Very low213 Ų213145.6 Ų145.680%0.80480%0.802SS**  trans-14675.9175.2-164.7-178.390.9150.64.1111
75T52.2Low42.9Very low133 Ų133142.5 Ų142.582%0.81680%0.804SS**  trans-72.1131.5160.240.60000109.2
76H50.1Low42.4Very low162 Ų162144.5 Ų144.575%0.7581%0.809SS**  trans-153.792.7168.7-87.7-54.5000108.8
77D47.3Very low42.3Very low163 Ų163143.3 Ų143.387%0.87281%0.806SS**  trans-69.8150.8155.1-81.9-62.7000110.3
78G49.2Very low41.7Very low77 Ų77141.6 Ų141.679%0.79481%0.806SS**  trans-176.392.1-177.400000111.4
79L43.3Very low41Very low165 Ų165142.8 Ų142.886%0.86481%0.805SS**  trans-83.9161-168.7-67.9169.4000115
80C32.3Very low40.5Very low101 Ų101145.2 Ų145.268%0.68281%0.811SS**  trans82.1111.2144-159.50000120.3
81K37.1Very low39.8Very low192 Ų192142 Ų14284%0.83581%0.814SS**  179.5117112.3-92.6167.6-175.7-176.20108.8
82V32.2Very low39.5Very low123 Ų123149.2 Ų149.275%0.74582%0.819SS**  66101.372.1179.20000113.3
83S31.9Very low38.8Very low118 Ų118146.1 Ų146.183%0.82582%0.816SS**  trans-158.3133.3133.5-169.30000108.3
84D35.5Very low38.4Very low129 Ų129145.2 Ų145.269%0.6981%0.809SS**  trans-81.6160.6175.6-56.7-80.7000112.1
85D39.2Very low37.9Very low173 Ų173140.7 Ų140.793%0.92581%0.81SS**  trans-152.4133.6141.6-114.4-33.5000109.4
86N36.4Very low36.9Very low149 Ų149137.8 Ų137.880%0.79781%0.807SS**  trans-117128.1-166.9-109.5-48.8000112.2
87A34.8Very low35.9Very low100 Ų100136.8 Ų136.883%0.82681%0.807SS**  trans-149.2134167.800000112.3
88L38Very low35.2Very low168 Ų168137.2 Ų137.288%0.8880%0.801SS**  trans-94.7177.7-177-67101.1000113.5
89R35.5Very low34.4Very low234 Ų234140.1 Ų140.188%0.88379%0.794SS**  trans94.2104.7155.3-167.3179.9-82.1-149.2-5.7113.9
90S30.4Very low33.8Very low122 Ų122139.6 Ų139.685%0.85378%0.782SS**  70.7115.864.5-175.90000113.8
91G31.6Very low33.8Very low80 Ų80141.9 Ų141.983%0.82578%0.782SS**  trans177.2116.8179.900000115.6
92Y35.6Very low33.4Very low225 Ų225137.8 Ų137.888%0.88278%0.777SS**  trans-56.4145.4-179.8-101.5-127.9000119
93V34.2Very low33.4Very low119 Ų119138.9 Ų138.972%0.72177%0.774SS**  55.8109.9124.3-178.60000122.1
94S34.6Very low33.7Very low103 Ų103142 Ų14272%0.7277%0.768SS**  61145.7124.2-149.70000125.5
95S35Very low33.7Very low118 Ų118141.6 Ų141.683%0.82577%0.766SS**  trans77.2136.6149.6-55.80000120.9
96G30Very low33.5Very low72 Ų72137.1 Ų137.174%0.74275%0.753SS**  trans154.975.5159.700000119.3
97D30.7Very low33.3Very low141 Ų141135.1 Ų135.175%0.75476%0.757SS**  trans55.3131.8131.8-70.66.2000126.4
98F31.9Very low33.1Very low172 Ų172133.8 Ų133.875%0.75475%0.753SS**  trans63.9152.7130.7-78.7-116.6000120.9
99E32.9Very low32.8Very low138 Ų138132.7 Ų132.765%0.64575%0.748SS**  cis-162.5178.4-20-140.2-164.2152.700110.6
100Y29.4Very low32.7Very low155 Ų155127.3 Ų127.361%0.60874%0.736SS**  trans70.7105.1149.5-105.8-128.6000123.4
101H33.5Very low32.8Very low149 Ų149128.8 Ų128.869%0.6973%0.729SS**  91.1127.5112.5-94.243.7000123.4
102S28.6Very low32.8Very low105 Ų105130.7 Ų130.773%0.73473%0.73SS**  trans80.6148.2137.4-71.60000120.9
103H32.5Very low32.4Very low146 Ų146123.6 Ų123.668%0.67673%0.725SS**  cis-178.8141.4-16.4168.8-129.7000108.7
104R38.3Very low32.5Very low185 Ų185124.3 Ų124.370%0.69873%0.734SS**  trans66161.9169.7-74.3179.5174-101.9-0.9116.4
105D33.6Very low32.4Very low119 Ų119128.8 Ų128.864%0.63674%0.743SS**  cis-165.4169-12.2-104.4-18.8000105.9
106A35.5Very low32Very low80 Ų80126.2 Ų126.266%0.66174%0.735SS**  cis-162.2129.3-19.100000105.4
107A32.1Very low32.1Very low107 Ų107132 Ų13288%0.88474%0.743SS**  72.4130.397.600000116.8
108G31.1Very low32Very low72 Ų72130 Ų13074%0.74274%0.739SS**  trans102.115116800000116.3
109D31Very low31.7Very low145 Ų145129 Ų12978%0.77574%0.741SS**  cis-159.6157.3-22.7-144.513.5000113.2
110L33.3Very low31.9Very low120 Ų120130.6 Ų130.663%0.62875%0.748SS**  trans26.4144.1152.3-71.2174.4000125.1
111H33.4Very low32.6Very low154 Ų154129.4 Ų129.471%0.71376%0.76SS**  trans73.4110.8139-69.3-35.3000123.3
112S31Very low32.8Very low120 Ų120128.2 Ų128.284%0.83976%0.763SS**  63.915411983.20000122.9
113G26.9Very low33.6Very low75 Ų75128.6 Ų128.677%0.77376%0.763SS**  trans118.7127.2141.900000116.2
114C37.2Very low33.6Very low134 Ų134127.7 Ų127.791%0.90576%0.763SS**  trans-103.3126.9176.5-53.30000111.7
115Q31.4Very low33.5Very low198 Ų198125.5 Ų125.593%0.92576%0.761SS**  trans-152.7156.1151.9-74.6-162.7-18.200107.6
116G28.4Very low33.5Very low63 Ų63128.7 Ų128.765%0.64977%0.769SS**  cis161.2164.4-2.400000110
117E30.4Very low33.6Very low195 Ų195130.4 Ų130.491%0.91178%0.776SS**  trans68.6148.1164.5-69.8-177.1-158.400117.7
118C28.4Very low33.7Very low98 Ų98132.7 Ų132.766%0.66277%0.772SS**  cis-156.2122-7.5-174.50000113.1
119N27.6Very low34Very low151 Ų151136.4 Ų136.481%0.80778%0.781SS**  trans50.3159.2144.9-66.7-53.6000125.8
120H36.7Very low34.2Very low172 Ų172136.7 Ų136.780%0.79678%0.782SS**  trans-84.9-179176.9-57.2-86.6000113.8
121P44.5Very low34.3Very low130 Ų130134.8 Ų134.884%0.84479%0.791SS**  -136.8163.510239.3-30.7000115.9
122T35.8Very low34.6Very low123 Ų123137.7 Ų137.776%0.75580%0.796SS**  trans-102.1168.7165.661.50000109.7
123P47Very low35Very low113 Ų113139.2 Ų139.273%0.73479%0.789SS**  -156.2170.783.441.9-21.7000118.2
124D32.9Very low35.8Very low127 Ų127147.2 Ų147.268%0.67980%0.796SS**  trans62.6113.7141-81.424.4000126.4
125Q35.4Very low36.7Very low140 Ų140149.8 Ų149.865%0.65479%0.792SS**  86.8147.5125-71.3-172.935.200123.5
126K34.3Very low37.2Very low186 Ų186143.7 Ų143.781%0.80978%0.782SS**  trans80103.4163.8-67.6140.3-171.5164.10117.7
127S36.4Very low38.1Very low115 Ų115147.1 Ų147.180%0.80479%0.785SS**  trans-77.3141.5159.345.10000111.4
128L34.6Very low39Very low155 Ų155147.7 Ų147.781%0.81278%0.779SS**  trans179.9106.6151.4-105.4168.1000111.1
129T38.2Very low39.6Very low151 Ų151148 Ų14893%0.92678%0.782SS**  trans-136.4126.3152.946.30000109.1
130L35.1Very low40.7Very low151 Ų151148.9 Ų148.979%0.79179%0.786SS**  trans-141.4111.7-172-162.9174.6000107.8
131G34.9Very low41.2Very low79 Ų79150.7 Ų150.781%0.81479%0.792SS**  trans-157.1103.1-177.300000111.7
132R39.8Very low40.8Very low216 Ų216152.8 Ų152.882%0.81579%0.79SS**  trans-98.8159.7-178.6-74.2-179.3165.3-110.87.7112.4
133Q39.1Very low40.7Very low151 Ų151150.5 Ų150.571%0.70678%0.78SS**  trans75.7132.7158.7-49-153.914.400119
134R43.1Very low40.7Very low244 Ų244155.4 Ų155.492%0.92179%0.789SS**  trans-131.1129.5144.4-61.7-173.177.5178.44.1108.3
135K57.6Low41.5Very low187 Ų187159.5 Ų159.581%0.81380%0.795SS**  trans-135.7124.9171.3-89-175.3172-178.10108.3
136G40.9Very low41.7Very low70 Ų70161.5 Ų161.572%0.72280%0.804SS**  trans70.1159.5-17900000113.2
137L47.7Very low42.1Very low135 Ų135161.6 Ų161.671%0.70781%0.807SS**  cis-164.7157.434.1-82.4170.7000109.9
138R48.9Very low42.1Very low207 Ų207165 Ų16578%0.78180%0.803SS**  trans57.5107.2149.8-63.3169-142.2-69.40.5116.8
139S41.9Very low41.9Very low104 Ų104162.8 Ų162.873%0.72780%0.8SS**  78.698.681.6173.60000115
140L49.2Very low41.6Very low170 Ų170160 Ų16089%0.8978%0.776SS**  trans-141.786.6154.9-76.3-179.2000110.2
141F46.9Very low41.8Very low211 Ų211163 Ų16393%0.92578%0.777SS**  trans-10788.5166.1-89.1-69.5000110
142Q36.7Very low41.8Very low173 Ų173164.3 Ų164.381%0.80877%0.766SS**  trans-149.1144.7163.3-59.9-170.828.700105.6
143S34.5Very low41.6Very low76 Ų76160 Ų16053%0.53176%0.759SS.*  cis-157.3135.812.2151.30000110.4
144F46.2Very low41.2Very low215 Ų215158.6 Ų158.694%0.94376%0.756SS**  trans-140.2139.4137.1-80.6-68.1000108.2
145R49.7Very low40.9Very low213 Ų213154.2 Ų154.280%0.80476%0.756SS**  trans-109135.1-173.2-64.3-173.4-169.9-122.11.7111.4
146H39.7Very low39.6Very low182 Ų182150.4 Ų150.484%0.84375%0.754SS**  trans-44148.7173.1-48.881.9000115.2
147H42.9Very low39.2Very low188 Ų188156.4 Ų156.487%0.8776%0.763SS**  trans-92.5150.7141.4-168-97.7000109.2
148R36.5Very low38.4Very low188 Ų188153.4 Ų153.471%0.70976%0.757SS**  trans-145.6128.4-170.5174.8-173.5175.4-168.6-1.6113.3Q150R148-Q150 HydrophobicContact CG-CG 4.26Å; R148-Q150 VanDerWaalsContact NH2-NE2 3.18Å
149S31Very low37.3Very low107 Ų107151.3 Ų151.375%0.74876%0.762SS**  trans-151.2128.1144-162.30000107.1
150Q31.9Very low36.5Very low93 Ų93150.6 Ų150.644%0.43576%0.762SS.*  67.3124.350.5-70.4-95.8-7000111.5R148R148-Q150 HydrophobicContact CG-CG 4.26Å; R148-Q150 VanDerWaalsContact NH2-NE2 3.18Å
151R39.5Very low35.5Very low215 Ų215149.1 Ų149.181%0.81176%0.76SS**  cis-150.81728.1-57.7-168.5-175.7119.73.8109
152N33.7Very low34.6Very low106 Ų106144.7 Ų144.757%0.56776%0.755SS**  cis-160.2-156.1-19.4-112.855.5000104.7D154N152-D154 PolarHBondContact ND2-OD2 3.02Å
153N35.4Very low34.3Very low125 Ų125141.7 Ų141.767%0.66875%0.753SS**  cis-155.4112.95-154.482.7000112.3
154D31.3Very low34.7Very low121 Ų121143.2 Ų143.265%0.64776%0.761SS**  trans24.6122.6131.2-46.8-44.4000121.4N152N152-D154 PolarHBondContact ND2-OD2 3.02Å
155T35.9Very low33.8Very low152 Ų152141.7 Ų141.793%0.93376%0.757SS**  -158.6163.51264.90000110.8
156S32.2Very low32.6Very low108 Ų108137.8 Ų137.876%0.75576%0.761SS**  trans-152.9144.7-164.658.90000113.1
157E31.8Very low32.2Very low195 Ų195137.8 Ų137.891%0.91176%0.759SS**  trans175.9176.7149.7-103174177.200110.2
158A30.3Very low31.9Very low72 Ų72136.9 Ų136.960%0.59575%0.752SS**  -169.9114.5-6600000111.9
159N25.7Very low31.5Very low163 Ų163134.2 Ų134.287%0.87275%0.748SS**  trans62.6171.9154.9-62.5-52.4000120.9
160A25.7Very low31.4Very low89 Ų89135.1 Ų135.174%0.73675%0.749SS**  trans65.3105174.500000116.7
161V27.8Very low32Very low140 Ų140135.7 Ų135.785%0.84876%0.76SS**  70.699.663.4-179.50000114
162S27.4Very low31.5Very low118 Ų118131.5 Ų131.583%0.82576%0.758SS**  175.9157.711647.50000112.7
163S30.8Very low31.4Very low110 Ų110132.5 Ų132.577%0.76977%0.768SS**  trans-124.9147.7159-174.50000106.4
164P42.7Very low31.2Very low107 Ų107133.6 Ų133.670%0.69577%0.769SS**  -149.4155.8104.538.2-22000116.5
165Q27.2Very low31Very low183 Ų183137.6 Ų137.686%0.85578%0.775SS**  trans23130.4133.6-52.2172.1-12.800120.3
166C25.1Very low30.7Very low131 Ų131137.1 Ų137.189%0.88577%0.767SS**  -163.3-177.3100.3-151.80000111.7
167K32.3Very low30.5Very low183 Ų183137.6 Ų137.680%0.79677%0.765SS**  trans-140.6159.1-179.3-61.4178.2-179.7176.80110.8
168K34.8Very low30.4Very low168 Ų168135 Ų13573%0.7376%0.758SS**  trans67.1160.9168.7-67.6159.3156.4-98.50114.2
169E28.1Very low30.4Very low132 Ų132143.1 Ų143.162%0.61777%0.773SS**  cis-147.9138.31.2-136.7117.4-142.500106.8
170V30.3Very low30.7Very low127 Ų127141.4 Ų141.477%0.7777%0.773SS**  67.2140.8102.2158.40000115.9
171P44.8Very low30.9Very low105 Ų105141.6 Ų141.668%0.68278%0.775SS**  cis-145.3-157.8-22.242-20.8000114.5
172V27.9Very low31Very low127 Ų127140.4 Ų140.477%0.7777%0.768SS**  trans67.5114.6151.9169.70000118.9
173V32.8Very low31Very low126 Ų126141.5 Ų141.576%0.76476%0.76SS**  -159.5134.9104.7151.70000110.1
174Q29.4Very low31Very low148 Ų148144.5 Ų144.569%0.69276%0.76SS**  trans-74.5133.5172.9163.2-158.462.300111.9
175R28.6Very low30.6Very low205 Ų205147.3 Ų147.377%0.77477%0.768SS**  trans-172.1160.4139.6-103.5149.9-163.380.6-3.1112.6
176N28.1Very low30.5Very low143 Ų143146.8 Ų146.877%0.76577%0.766SS**  trans-103.1-171-170.4-48.7-12.2000110.9
177T29.3Very low30.5Very low117 Ų117145.5 Ų145.572%0.71876%0.757SS**  trans103.785.3149.3-46.60000118
178N29.3Very low30.3Very low141 Ų141142.6 Ų142.675%0.75475%0.75SS**  62.8123.6123.1-51.3-5000122.8
179R30.8Very low30.2Very low243 Ų243142 Ų14292%0.91775%0.75SS**  trans46.5124132.2-68.4-176.6170.4-172.5-3.8121.1
180S31Very low30.1Very low126 Ų126142.5 Ų142.588%0.88176%0.757SS**  -153.2161119.4-0.30000110.2
181A31Very low30.3Very low93 Ų93142.4 Ų142.477%0.76976%0.756SS**  trans-132.4-151.9173.700000108.6
182T29.1Very low30.1Very low115 Ų115142.8 Ų142.871%0.70676%0.759SS**  trans77.8108178.3-58.50000112.1
183E27.3Very low30.1Very low142 Ų142144.6 Ų144.666%0.66476%0.759SS**  73.214473.9-67.2165.6129.500112.7
184F31.5Very low30Very low172 Ų172148 Ų14875%0.75476%0.764SS**  cis-164.2175.31.7-122.7-42.1000111.7
185L34Very low30.2Very low167 Ų167146.3 Ų146.387%0.87476%0.763SS**  trans71.4153.9165.6-63.4161.4000116.9
186E24.3Very low30.6Very low171 Ų171144.5 Ų144.580%0.79976%0.763SS**  cis-159.7143.837.1-178.6175.4-157.200113.1
187C26.2Very low30.8Very low105 Ų105144.6 Ų144.671%0.70976%0.764SS**  trans45.7155.9154.8-71.80000124.1
188D27.7Very low31.1Very low122 Ų122146.4 Ų146.465%0.65277%0.769SS**  cis-172166.6-26.8-127-45.8000112
189H32.3Very low31.4Very low156 Ų156144.5 Ų144.572%0.72277%0.765SS**  trans55.3148.2164.9-73.8-79.6000119.3
190D25.7Very low31.5Very low142 Ų142140.1 Ų140.176%0.75976%0.76SS**  cis-155.5169.612.6-122.7-13.7000111.6
191V34.2Very low31.6Very low124 Ų124140.7 Ų140.775%0.75275%0.752SS**  trans-115.8164.8-179.8-147.60000111.3
192P40.5Very low31.6Very low114 Ų114141.8 Ų141.874%0.7475%0.754SS**  -139.2153.7103.539.2-28.3000115.4
193E28Very low31.8Very low164 Ų164142.9 Ų142.977%0.76675%0.754SS**  trans-90.9154.3-175.8-178.3173.8-162.400111.7
194F30.8Very low32Very low198 Ų198139.8 Ų139.887%0.86876%0.759SS**  trans-128.7134.5169.7-76.6-80.2000109.7
195V34.5Very low32.1Very low112 Ų112138.7 Ų138.768%0.67976%0.761SS**  trans-95.5170.4-163.7178.40000111.5
196E37.8Very low31.9Very low167 Ų167140.1 Ų140.178%0.7876%0.763SS**  trans-51.7153.8-170.1-61.682-148.200116.3
197D30.5Very low32.2Very low146 Ų146137.1 Ų137.178%0.78176%0.76SS**  trans-139.2110.8143.4-1687.4000108.9
198L36.5Very low32.5Very low155 Ų155137.9 Ų137.981%0.81277%0.766SS**  trans-131.499.3178.8-165.180.5000108.5D200L198-D200 PolarHBondContact O-N 3.25Å; L198-D200 VanDerWaalsContact O-N 3.11Å
199C35.4Very low32.5Very low101 Ų101143.7 Ų143.768%0.68278%0.779SS**  trans-78.793.1-171.3-710000113.2I201C199-I201 PolarHBondContact O-N 2.95Å
200D32.3Very low32.7Very low151 Ų151140.7 Ų140.781%0.80778%0.781SS**  trans-68117.5161.8-93.8-36.2000110.8L198 S202L198-D200 PolarHBondContact O-N 3.25Å; L198-D200 VanDerWaalsContact O-N 3.11Å; D200-S202 PolarHBondContact O-N 3.36Å
201I33.7Very low33Very low138 Ų138140.9 Ų140.971%0.70878%0.782SS**  trans-94.181.6178.2-56.9-179.7000109.6C199 I203C199-I201 PolarHBondContact O-N 2.95Å; I201-I203 HydrophobicContact CG2-CD1 3.82Å; I201-I203 HydrophobicContact CG2-CG1 3.84Å
202S31.7Very low32.9Very low116 Ų116139.9 Ų139.981%0.81179%0.787SS**  trans-89.3105.2163.9-73.60000110.4D200D200-S202 PolarHBondContact O-N 3.36Å
203I33.9Very low32.5Very low138 Ų138143.2 Ų143.271%0.70879%0.79SS**  trans-105.694.1171.9-60.6174.4000108.9I201I201-I203 HydrophobicContact CG2-CD1 3.82Å; I201-I203 HydrophobicContact CG2-CG1 3.84Å
204G29.6Very low32.5Very low76 Ų76140 Ų14078%0.78479%0.791SS**  trans-77.2129158.300000109.4
205L34.7Very low32.4Very low150 Ų150139.5 Ų139.579%0.78579%0.789SS**  trans-106.478.7179.5-163.977.8000111.3C207L205-C207 PolarHBondContact O-N 2.74Å
206E30.1Very low32.2Very low197 Ų197142.1 Ų142.192%0.92179%0.794SS**  trans-87.1100.7173.4-171.3173.9-147.800110.3
207C30.2Very low31.8Very low107 Ų107139.7 Ų139.772%0.72380%0.795SS**  trans-96.9114.9179-82.90000111.7L205L205-C207 PolarHBondContact O-N 2.74Å
208S31.8Very low31.6Very low122 Ų122137.8 Ų137.885%0.85379%0.793SS**PPolyproline II helixtrans-67.9136.6-175.757.30000114.2
209R29.3Very low31.2Very low244 Ų244138.1 Ų138.192%0.92179%0.793SS**PPolyproline II helixtrans-89134.8173.3-174.9177.8-174.61662.6111.1
210A36.7Very low30.8Very low92 Ų92139.5 Ų139.576%0.7679%0.789SS**PPolyproline II helixtrans-93.3155.3171.200000112.1
211D31.1Very low30.7Very low146 Ų146139.9 Ų139.978%0.78178%0.783SS**PPolyproline II helixtrans-69.2143.3-166.9-77.6-68.3000116.8
212A32.5Very low30.3Very low104 Ų104142.3 Ų142.386%0.8679%0.792SS**  trans-138.4134.7140.500000108.2
213K31.4Very low30.2Very low183 Ų183142.7 Ų142.780%0.79679%0.793SS**  trans-101.7163.7-162.2-70.5-170.2176.6-173.10115.3
214A27.9Very low30.1Very low96 Ų96141.9 Ų141.979%0.79380%0.797SS**  trans88.8141.9158.400000116.4
215K28.1Very low30Very low189 Ų189148.2 Ų148.282%0.82280%0.803SS**  cis-148.5159.93.5-149.6-178.7174.8-172.60113.2
216E30.1Very low29.7Very low167 Ų167146.4 Ų146.478%0.7880%0.803SS**  trans-53.1163.8167-63.3150.9135.500112.8
217S30Very low29.5Very low116 Ų116146 Ų14681%0.81180%0.801SS**  cis-153.9154.935.756.90000117.1
218S26.9Very low29.8Very low105 Ų105146.3 Ų146.373%0.73480%0.801SS**  trans-80.4159.4169530000114.3
219M27.6Very low29.5Very low163 Ų163148.9 Ų148.980%0.80380%0.8SS**  164.1111.8128.8-88.3-176.685.100107.6
220E26.8Very low29.3Very low130 Ų130144 Ų14461%0.60779%0.791SS**  81.9121.176-85.5-140.4124.700115.5
221K30.4Very low28.9Very low158 Ų158143.9 Ų143.969%0.68779%0.785SS**  trans88.2147.2140.3-73.8168.8176.2140.60122.6
222E24.7Very low28.6Very low190 Ų190144.8 Ų144.889%0.88879%0.785SS**  trans67.3133.6160.1-78.7-178.2103.800122
223C29.8Very low28.4Very low124 Ų124147.3 Ų147.384%0.83878%0.783SS**  trans-136.7114168.3174.80000108.2
224P32.4Very low28.4Very low121 Ų121144.5 Ų144.579%0.78677%0.771SS**  trans-94.9154.4172.235.2-31.5000112.2
225K26.5Very low28.7Very low209 Ų209148.8 Ų148.891%0.90978%0.775SS**  trans-116.4122.1-169.4-179-178-175176.40111
226S28.5Very low28.9Very low112 Ų112148.7 Ų148.778%0.78377%0.774SS**  trans-164.3123170.757.40000114.7
227E26.7Very low29.1Very low189 Ų189146.8 Ų146.888%0.88377%0.769SS**  trans-81.1157.6143.8-57.6-179.2101.100108.4
228P36.9Very low29.4Very low113 Ų113146.4 Ų146.473%0.73477%0.767SS**  -155.8150.489.139.4-20.1000118.3
229Q25.3Very low29.5Very low176 Ų176148 Ų14882%0.82277%0.767SS**  trans53.1144.3135.5-70.2-167.6-23.200125.9
230L24.8Very low29.7Very low140 Ų140147.8 Ų147.873%0.73377%0.768SS**  trans76.995.5144.6-97.579000123
231S27.6Very low29.9Very low91 Ų91151.3 Ų151.364%0.63678%0.781SS**  50.7150.5111.670.80000125.6
232E25.6Very low29.8Very low165 Ų165147.8 Ų147.877%0.77178%0.782SS**  trans76.5137171.9-51.1-158.5111.600113.9
233D28.3Very low30.3Very low156 Ų156145.2 Ų145.283%0.83478%0.779SS**  cis-145.3178.648-168.927.4000113.8
234K31.7Very low30.9Very low125 Ų125145 Ų14554%0.54378%0.776SS.*  trans-124.7172.8-141.5-69.5-160.8176.2-174.60116.1
235H33.5Very low30.8Very low186 Ų186145.1 Ų145.186%0.86178%0.78SS**  trans73.5127148.9-73.5-56.8000120.3
236K32.3Very low30.9Very low186 Ų186138.7 Ų138.781%0.80977%0.773SS**  147.5146129.7-80.1-172.1179.7173.60110.3
237D34.6Very low31.1Very low128 Ų128136 Ų13668%0.68476%0.763SS**  cis-167.5159.9-18.3-110.3-21.6000109.6
238S35.8Very low31.4Very low108 Ų108137.4 Ų137.476%0.75576%0.761SS**  trans96.2135.5148.583.20000124.4
239N29.3Very low31.1Very low137 Ų137138.6 Ų138.673%0.73376%0.762SS**  trans72.481.6149.9-84.3-55.4000124.5
240L32.1Very low31.3Very low160 Ų160136.7 Ų136.784%0.83876%0.757SS**  35.6132.6110.5-54.8175.2000121
241K30.3Very low31.4Very low203 Ų203135 Ų13588%0.88376%0.757SS**  175.3140.696.5-169.2171.7-175.3-178.90114.8
242A30.1Very low31.5Very low85 Ų85135.1 Ų135.170%0.70276%0.758SS**  trans64.3125.6164.300000118.2
243V34.2Very low31.8Very low136 Ų136136.5 Ų136.582%0.82476%0.756SS**  cis66.9133.527.9-173.20000113.1
244P41.8Very low31.8Very low120 Ų120139 Ų13978%0.77975%0.754SS**  cis-118.2-170.410.314.611.9000112.7
245S31.5Very low31.7Very low123 Ų123137.5 Ų137.586%0.8676%0.759SS**  cis160.3135.4-19.5-178.30000105.7
246G29.1Very low31.6Very low74 Ų74133.4 Ų133.476%0.76375%0.751SS**  trans150.1131.9179.900000110.9
247G30.6Very low31.8Very low55 Ų55133.2 Ų133.257%0.56775%0.753SS**  trans-125.6-146.4-169.100000114.5
248Y34.2Very low32.1Very low218 Ų218133.4 Ų133.486%0.85576%0.762SS**  trans64.898.5176.448.5-99.6000118.8
249D29.9Very low31.9Very low139 Ų139133.6 Ų133.674%0.74376%0.761SS**  65.1122.3112.4-84.930.5000123.3
250N29.3Very low32.2Very low136 Ų136134.2 Ų134.273%0.72776%0.764SS**  77116.1125.3-78.6-43.8000122.4
251S27.2Very low32.1Very low104 Ų104135.6 Ų135.673%0.72776%0.763SS**  85.3100.7116.5-158.20000120.3
252S30.5Very low32.5Very low94 Ų94133.6 Ų133.666%0.65776%0.761SS**  86145.8114.3-161.90000121.4
253R31Very low32.3Very low194 Ų194138.9 Ų138.973%0.73277%0.772SS**  trans79133.3150.4-89.1164.8-175.3-158.50.6121.2
254R29Very low32Very low209 Ų209138.7 Ų138.779%0.78977%0.771SS**  trans76149.1144.2-71.3174.5177.4160.9-5.3117.5
255S29.3Very low31.6Very low93 Ų93137.9 Ų137.965%0.6577%0.774SS**  cis-169172.3-17.450.80000111.7
256S31.3Very low31.6Very low99 Ų99137.8 Ų137.869%0.69277%0.773SS**  trans65.5118.5142.153.70000119
257E37.2Very low31.7Very low182 Ų182143.1 Ų143.185%0.8578%0.779SS**  trans-59168160.2-51139.1139.600111.8
258P41.6Very low32.1Very low133 Ų133146.7 Ų146.786%0.86479%0.789SS**  -123.4162.1128.336.3-31.4000112.6
259C30.2Very low32.5Very low111 Ų111142 Ų14275%0.7579%0.785SS**  trans-115.5172.8-167.4-172.40000112.8
260L36Very low32.7Very low150 Ų150140.3 Ų140.379%0.78579%0.791SS**  trans77.5151.3176.2-43.1175.7000113.9
261K30.3Very low32.7Very low189 Ų189137.3 Ų137.382%0.82279%0.793SS**  cis-152.8164.414.6-153.6164.4-178.8174.90112.8
262L37.7Very low33.4Very low161 Ų161137.7 Ų137.784%0.84380%0.795SS**  trans-52.6144.2176.1-61.8156.3000115
263Q25.9Very low34Very low197 Ų197137.8 Ų137.892%0.92180%0.796SS**  -166.9170.8124-112.3172.1-1.600114
264T29.1Very low35Very low131 Ų131134.2 Ų134.280%0.80479%0.791SS**  trans-111.9149.2-165.746.60000114.2
265A33.8Very low36.2Very low104 Ų104133.1 Ų133.186%0.8680%0.795SS**  trans66125.8154.900000120.2
266S30.4Very low37.3Very low120 Ų120136.2 Ų136.284%0.83980%0.803SS**  trans-161.3149.5155.659.60000109.8
267E32.3Very low38.4Very low187 Ų187137.4 Ų137.487%0.87480%0.802SS**  trans-90170.5-168.1-67.8166.7103.800115.8
268T37.7Very low39.3Very low129 Ų129135.5 Ų135.579%0.79180%0.797SS**  trans-37.6160.2168.1270000117.2
269P42.2Very low40.1Very low119 Ų119136 Ų13677%0.77379%0.791SS**  cis-153.3168.749.642.6-21.5000121.7
270A34.3Very low41.3Very low104 Ų104139.8 Ų139.886%0.8680%0.795SS**  trans68.9116.8150.900000120.8
271G30.3Very low42.2Very low74 Ų74134.6 Ų134.676%0.76378%0.778SS**  trans167.394.9167.800000112.2
272S40.4Very low43.3Very low111 Ų111134.2 Ų134.278%0.77678%0.779SS**  trans-53139.7-171.6540000115.6D274S272-D274 WeakPolarHBondContact CA-OD2 3.05Å; S272-D274 WeakPolarHBondContact CB-OD2 3.3Å
273S43.3Very low43.8Very low97 Ų97133.1 Ų133.168%0.67878%0.779SS**  trans-143.930.6172.560.20000113.5Q275S273-Q275 PolarHBondContact O-N 2.84Å
274D52.7Low45.2Very low118 Ų118129.2 Ų129.263%0.63177%0.774SS**THydrogen-bonded Turntrans-92.611-154.5-46.6-64.9000115.1S272S272-D274 WeakPolarHBondContact CA-OD2 3.05Å; S272-D274 WeakPolarHBondContact CB-OD2 3.3Å
275Q53.8Low46.3Very low187 Ų187128 Ų12887%0.87477%0.77SS**THydrogen-bonded Turntrans-100.46-170.4-147170.141.800115.3S273S273-Q275 PolarHBondContact O-N 2.84Å
276L52.1Low47.2Very low157 Ų157130.8 Ų130.882%0.82277%0.77SS**SBendtrans-126.2-8.5177.3-68.9176000115.1
277N54.2Low48Very low124 Ų124135.3 Ų135.366%0.66377%0.774SS**SBendtrans-90.8-8.4178.4-73.4-21.9000114I279 G281N277-I279 VanDerWaalsContact C-N 3.31Å; N277-I279 PolarHBondContact O-N 3.11Å; N277-G281 PolarHBondContact O-N 3.39Å
278L57.1Low49.1Very low143 Ų143130.9 Ų130.975%0.74976%0.764SS**THydrogen-bonded Turntrans-80-3.2-170.4-163.458.5000114.8
279I57.8Low49.7Very low144 Ų144133.8 Ų133.874%0.73877%0.766SS**THydrogen-bonded Turntrans-115.7-12.1-177.6-63.3177.4000112.6N277N277-I279 VanDerWaalsContact C-N 3.31Å; N277-I279 PolarHBondContact O-N 3.11Å
280F55.6Low50.1Low189 Ų189135.3 Ų135.383%0.82977%0.768SS**THydrogen-bonded Turntrans-129.213.7176.9-67.1-74.2000113.6
281G55.5Low51Low42 Ų42134.5 Ų134.543%0.43376%0.756SS.*SBendtrans-86.1-24.7178.400000115.2N277 V283N277-G281 PolarHBondContact O-N 3.39Å; G281-V283 PolarHBondContact O-N 3.13Å
282E52.8Low52.2Low181 Ų181138.4 Ų138.485%0.84676%0.758SS**THydrogen-bonded Turntrans-98.260.2-167.7-63.3-165.6139.300113.9
283V49Very low53Low137 Ų137139 Ų13983%0.8376%0.757SS**THydrogen-bonded Turntrans-140.1-1.4166.9-131.20000114.7G281G281-V283 PolarHBondContact O-N 3.13Å
284S53.7Low53.7Low116 Ų116138 Ų13881%0.81176%0.762SS**SBendtrans-95.81.8-174540000115
285S52.8Low53.8Low104 Ų104138.6 Ų138.673%0.72777%0.774SS**SBendtrans-135.437.7-169.8-168.10000115.5
286L52.3Low53.6Low164 Ų164133.1 Ų133.186%0.85977%0.768SS**  trans-13071.1163.7-76.7179.3000111.7
287K49.1Very low53.4Low214 Ų214132.2 Ų132.293%0.9376%0.764SS**  trans-132.445.3157.6-158.2165.4-176.5172.40111.8
288S53.5Low53.6Low94 Ų94133.9 Ų133.966%0.65777%0.771SS**  trans-110.761.2170.959.50000110.1
289F50.6Low53.4Low190 Ų190133 Ų13383%0.83377%0.766SS**  trans-131.994160-104.7-79.3000108.3S291F289-S291 PolarHBondContact O-N 3.13Å
290D51.6Low53.1Low151 Ų151130.1 Ų130.181%0.80776%0.763SS**  trans-72.482.4161.4179.816.1000107.5L292D290-L292 PolarHBondContact O-N 3.22Å
291S52.1Low52.8Low88 Ų88127.7 Ų127.762%0.61576%0.759SS**  trans-77.773.8175.9-68.80000109.8F289 T293F289-S291 PolarHBondContact O-N 3.13Å; S291-T293 PolarHBondContact O-N 2.89Å
292L56.3Low52.7Low156 Ų156135.4 Ų135.482%0.81778%0.784SS**  trans-58.579.3165.7179.369.4000109.7D290D290-L292 PolarHBondContact O-N 3.22Å
293T57.9Low52.7Low123 Ų123134.4 Ų134.476%0.75578%0.779SS**  trans-155.8104.9-179.8-34.20000112.8S291S291-T293 PolarHBondContact O-N 2.89Å
294G58.1Low52.9Low75 Ų75134.8 Ų134.877%0.77378%0.777SS**  trans8238.1138.700000119.3
295C53.6Low52.6Low131 Ų131137.6 Ų137.689%0.88578%0.783SS**  trans-118.894.9147.1-77.30000107.7D297C295-D297 PolarHBondContact O-N 3.42Å
296G49.5Very low52.4Low72 Ų72137.4 Ų137.474%0.74278%0.782SS**  trans-73.1106.1172.700000108.8I298G296-I298 PolarHBondContact O-N 3.31Å; G296-I298 VanDerWaalsContact O-N 3.16Å
297D48.3Very low52.1Low139 Ų139137.1 Ų137.174%0.74378%0.779SS**  trans-70.2105.2171.2-155.76.9000107.2C295 I299C295-D297 PolarHBondContact O-N 3.42Å; D297-I299 HydrophobicContact CB-CG1 4.44Å; D297-I299 PolarHBondContact O-N 3.31Å
298I57.6Low51.7Low159 Ų159134.1 Ų134.182%0.81578%0.779SS**  trans-80.368.4-178.8-50.1-179.1000108.2G296 A300G296-I298 PolarHBondContact O-N 3.31Å; G296-I298 VanDerWaalsContact O-N 3.16Å; I298-A300 PolarHBondContact O-N 3.41Å; I298-A300 VanDerWaalsContact O-N 3.15Å
299I53.1Low51.2Low124 Ų124138.1 Ų138.164%0.63679%0.787SS**  trans-66.6105.2159-50.1175.8000104.9D297 D301D297-I299 HydrophobicContact CB-CG1 4.44Å; D297-I299 PolarHBondContact O-N 3.31Å; I299-D301 PolarHBondContact O-N 3.39Å
300A51.3Low50.8Low83 Ų83134.1 Ų134.169%0.68678%0.783SS**  trans-68.9117.6173.500000108.3I298 Q302I298-A300 PolarHBondContact O-N 3.41Å; I298-A300 VanDerWaalsContact O-N 3.15Å; A300-Q302 PolarHBondContact O-N 3.03Å
301D51Low50.3Low139 Ų139133.3 Ų133.374%0.74378%0.783SS**  trans-57.6119.6-177.2-69.2-56.3000111.1I299 E303I299-D301 PolarHBondContact O-N 3.39Å; D301-E303 VanDerWaalsContact C-N 3.26Å; D301-E303 HydrophobicContact CB-CG 4.17Å; D301-E303 PolarHBondContact O-N 2.92Å
302Q52.9Low49.5Very low204 Ų204135.8 Ų135.895%0.95380%0.795SS**  trans-90.560.5176-170.1176.793.300109.9A300A300-Q302 PolarHBondContact O-N 3.03Å
303E52.6Low48.6Very low159 Ų159134.2 Ų134.274%0.74380%0.796SS**  trans-141.880.117652.5167.3-136.700113.6D301D301-E303 VanDerWaalsContact C-N 3.26Å; D301-E303 HydrophobicContact CB-CG 4.17Å; D301-E303 PolarHBondContact O-N 2.92Å
304D52.7Low47.6Very low146 Ų146132 Ų13278%0.78180%0.798SS**  trans-161.874.6142.7-129.5-14.9000113.6
305D47.9Very low46.3Very low174 Ų174135.6 Ų135.693%0.9380%0.795SS**  trans-136.659.2174.9-118.2-31.8000111
306S49.2Very low45.6Very low101 Ų101139.7 Ų139.771%0.70679%0.792SS**  trans-143.822.7-177.870.30000117.6
307I45.1Very low44.9Very low157 Ų157141.9 Ų141.981%0.80580%0.796SS**  trans-120.957173.459.3158.4000115E309I307-E309 VanDerWaalsContact C-N 3.27Å; I307-E309 PolarHBondContact O-N 3.47Å
308T40.9Very low45.2Very low152 Ų152146.3 Ų146.393%0.93380%0.802SS**  trans-77.870.4165.154.20000111.9
309E43.3Very low44.2Very low178 Ų178146.8 Ų146.883%0.83281%0.806SS**  trans-112.4124170.3-177.7161.6-16100113.9I307I307-E309 VanDerWaalsContact C-N 3.27Å; I307-E309 PolarHBondContact O-N 3.47Å
310S42.5Very low44Very low105 Ų105144.7 Ų144.773%0.73482%0.815SS**  trans64.5111.6154.3-157.70000119.9
311T40.5Very low43.1Very low134 Ų134143 Ų14382%0.82281%0.807SS**  trans-73.2128.7164.646.30000112.1
312V35.4Very low43.6Very low141 Ų141145.7 Ų145.786%0.85581%0.811SS**  trans-155.7127.5145.7118.60000115.1
313S37.3Very low43.6Very low122 Ų122145.1 Ų145.185%0.85380%0.801SS**  trans6.4128.3153.8-154.80000120.8
314G36.1Very low43.1Very low77 Ų77141.8 Ų141.879%0.79480%0.801SS**  trans-168.539.4179.300000118.7
315E30.7Very low42.7Very low151 Ų151140.5 Ų140.571%0.70680%0.803SS**  trans19.1110.3160.6-177.1163-173.600121.2
316R39.4Very low42.3Very low216 Ų216138.1 Ų138.182%0.81580%0.799SS**  trans60.5115.7132.9179.5-161.8-172.6166.90.7121
317S35.3Very low42Very low118 Ų118144.5 Ų144.583%0.82581%0.809SS**  -154.4171.1122.7-160.80000112.4
318R53.8Low42.3Very low232 Ų232144.2 Ų144.288%0.87581%0.808SS**  trans-138124179.5-77.3176.9167.9175.4-4.5111.4
319N37.2Very low42.6Very low169 Ų169143.4 Ų143.490%0.90480%0.803SS**  trans176.7173135.247.623.6000110.5
320G47.9Very low43Very low80 Ų80144.2 Ų144.283%0.82580%0.8SS**  trans-152.9149.9-178.700000113.1
321G34.2Very low43.8Very low49 Ų49148.4 Ų148.451%0.50581%0.808SS.*  trans-12926.9-149.300000120R323 Y423G321-R323 PolarHBondContact O-N 2.92Å; G321-Y423 WeakPolarHBondContact O-CD2 3.4Å; G321-Y423 WeakPolarHBondContact O-CE2 3.45Å
322K61.6Low44.6Very low194 Ų194143.8 Ų143.884%0.84379%0.787SS**  trans82.1-97.7149.5-53.5-153.6176.7-176.60119.4
323R52.3Low45.6Very low192 Ų192140.5 Ų140.573%0.72578%0.781SS**  trans-148.9123.1-141-49.4177.2-66.7-163.22.9119.9G321 Y423G321-R323 PolarHBondContact O-N 2.92Å; R323-Y423 VanDerWaalsContact CB-OH 3.29Å; R323-Y423 WeakPolarHBondContact CB-OH 3.09Å; R323-Y423 WeakPolarHBondContact CG-OH 3.49Å; R323-Y423 PolarHBondContact N-OH 2.86Å; R323-Y423 PolarHBondContact NE-OH 2.87Å
324A42.8Very low46.5Very low90 Ų90138.8 Ų138.874%0.74478%0.783SS**  67.7135.2115.300000124.5
325S42.7Very low47.6Very low119 Ų119143.9 Ų143.983%0.83279%0.786SS**  trans62.1105.4151.362.30000119.7
326C41Very low49.3Very low124 Ų124145.7 Ų145.784%0.83880%0.795SS**  trans-97.1140.815455.60000110.5
327Y41.3Very low50Low235 Ų235144 Ų14492%0.92280%0.798SS**  trans-87.9117.4170.3-116.7-90.6000108.6T329Y327-T329 PolarHBondContact O-N 3.35Å
328L53.1Low50.7Low151 Ų151142.9 Ų142.979%0.79180%0.796SS**  trans-81.5113.6-177.7-174.865.1000111.3Y330L328-Y330 PolarHBondContact O-N 2.67Å; L328-Y330 VanDerWaalsContact O-N 3.17Å
329T46.4Very low50.3Low134 Ų134136.3 Ų136.382%0.82279%0.786SS**  trans-82.685.4170.352.20000110.4Y327 Q331Y327-T329 PolarHBondContact O-N 3.35Å; T329-Q331 PolarHBondContact O-N 2.57Å
330Y51.1Low51.2Low196 Ų196134.6 Ų134.677%0.76978%0.784SS**  trans-66.5113.6173.6178.3-106.8000110.9L328 G332L328-Y330 PolarHBondContact O-N 2.67Å; L328-Y330 VanDerWaalsContact O-N 3.17Å; Y330-G332 VanDerWaalsContact CE1-CA 3.45Å
331Q59.3Low51.4Low192 Ų192138.4 Ų138.490%0.89778%0.78SS**  trans-105.470.9167.8-172.3176.9-1900108.9T329 G333T329-Q331 PolarHBondContact O-N 2.57Å; Q331-G333 PolarHBondContact O-N 2.76Å
332G57.3Low52.2Low38 Ų38143.5 Ų143.539%0.39280%0.796SS.*  trans-61.7124.5173.100000111.3Y330Y330-G332 VanDerWaalsContact CE1-CA 3.45Å
333G57.1Low51.7Low71 Ų71141.7 Ų141.773%0.73280%0.795SS**  trans-73.9134.1158.500000108.6Q331 E335Q331-G333 PolarHBondContact O-N 2.76Å; G333-E335 PolarHBondContact O-N 3.44Å
334G56.1Low51.9Low86 Ų86137.8 Ų137.889%0.88779%0.788SS**  trans-81102.2165.100000108.4
335E59.9Low52.5Low185 Ų185136.4 Ų136.486%0.86478%0.783SS**PPolyproline II helixtrans-79.6141157.861.1-163.1166.600108.9G333G333-E335 PolarHBondContact O-N 3.44Å
336E66.3Low53.1Low188 Ų188135 Ų13588%0.87977%0.769SS**PPolyproline II helixtrans-85132.1-172.558.4-147.7149.200110.9A338E336-A338 PolarHBondContact O-N 3.48Å
337M53.4Low53.6Low180 Ų180133.8 Ų133.889%0.88776%0.761SS**PPolyproline II helixtrans-60.6121.5-179.8-64-64.5-67.700109.3S339M337-S339 PolarHBondContact O-N 3.45Å
338A50.3Low54.2Low96 Ų96129.1 Ų129.179%0.79375%0.751SS**PPolyproline II helixtrans-56.8127176.100000110.2E336E336-A338 PolarHBondContact O-N 3.48Å
339S46.1Very low54.3Low94 Ų94128.3 Ų128.366%0.65774%0.744SS**PPolyproline II helixtrans-70.1138.8171-64.10000109.1M337 E341M337-S339 PolarHBondContact O-N 3.45Å; S339-E341 PolarHBondContact O-N 3.39Å; S339-E341 VanDerWaalsContact O-N 3.08Å
340P55.8Low54.5Low133 Ų133128.8 Ų128.886%0.86474%0.741SS**  trans-70.6101.8169.7-15.930.9000109.4
341E50.6Low54.3Low159 Ų159127.6 Ų127.674%0.74374%0.74SS**  trans-72.9131.5177.5-141.783.8155.600110.6S339 L343S339-E341 PolarHBondContact O-N 3.39Å; S339-E341 VanDerWaalsContact O-N 3.08Å; E341-L343 PolarHBondContact O-N 2.9Å
342D52.5Low53.9Low156 Ų156128.9 Ų128.983%0.83474%0.737SS**  trans27.583.9161.8-62.4-14.6000118.5
343L50.2Low53.5Low156 Ų156129.7 Ų129.782%0.81775%0.745SS**  trans-81.4113.2157.8-173.968.5000109.7E341E341-L343 PolarHBondContact O-N 2.9Å
344D56.3Low52.6Low110 Ų110131.1 Ų131.159%0.58874%0.744SS**  trans-59.5136.1-179.1-179.433.2000112.6T346D344-T346 PolarHBondContact O-N 3.46Å; D344-T346 WeakPolarHBondContact OD2-CB 3.26Å; D344-T346 WeakPolarHBondContact OD2-CG2 3.39Å; D344-T346 PolarHBondContact OD2-OG1 3.17Å
345G55.7Low51.8Low61 Ų61134.9 Ų134.963%0.62974%0.744SS**THydrogen-bonded Turntrans-71.70.7-171.600000115.1
346T55.9Low50.7Low89 Ų89133 Ų13355%0.54675%0.745SS.*THydrogen-bonded Turntrans-78.7-32.7-176.856.10000113.3D344 L348 Q349D344-T346 PolarHBondContact O-N 3.46Å; D344-T346 WeakPolarHBondContact OD2-CB 3.26Å; D344-T346 WeakPolarHBondContact OD2-CG2 3.39Å; D344-T346 PolarHBondContact OD2-OG1 3.17Å; T346-L348 VanDerWaalsContact C-N 3.34Å; T346-L348 PolarHBondContact O-N 2.87Å; T346-Q349 PolarHBondContact O-N 3.48Å
347C51.8Low49.3Very low99 Ų99129.3 Ų129.367%0.66974%0.74SS**THydrogen-bonded Turntrans-69.5-24.8-171.9-174.70000114.5
348L53.1Low48.8Very low137 Ų137129.6 Ų129.672%0.71774%0.739SS**THydrogen-bonded Turntrans-86.8-7.6-179.6-80.3169.7000114.5T346T346-L348 VanDerWaalsContact C-N 3.34Å; T346-L348 PolarHBondContact O-N 2.87Å
349Q55Low48.1Very low135 Ų135131 Ų13163%0.63174%0.737SS**THydrogen-bonded Turntrans-71.2-38-177.8-163.871.138.200112.1T346 G353T346-Q349 PolarHBondContact O-N 3.48Å; Q349-G353 WeakPolarHBondContact O-CA 3.38Å; Q349-G353 PolarHBondContact O-N 2.67Å; Q349-G353 VanDerWaalsContact O-N 3.11Å
350D51Low47.3Very low144 Ų144132.2 Ų132.277%0.7774%0.741SS**THydrogen-bonded Turntrans-77.1-24.3-170.5-68.7-20.6000114W352D350-W352 VanDerWaalsContact C-N 3.34Å; D350-W352 PolarHBondContact O-N 2.76Å
351F46.8Very low46.1Very low171 Ų171131.1 Ų131.175%0.7574%0.735SS**THydrogen-bonded Turntrans-76-19.9-177.6-161.4-95.1000113.7
352W51.3Low45.1Very low218 Ų218134.3 Ų134.383%0.82674%0.742SS**THydrogen-bonded Turntrans-123.6-2.4178.6-69.495.9000113.8D350 S354D350-W352 VanDerWaalsContact C-N 3.34Å; D350-W352 PolarHBondContact O-N 2.76Å; W352-S354 PolarHBondContact O-N 3.29Å
353G47.4Very low43.9Very low55 Ų55131.7 Ų131.757%0.56774%0.736SS**  trans-73.810.4-171.400000117.2Q349Q349-G353 WeakPolarHBondContact O-CA 3.38Å; Q349-G353 PolarHBondContact O-N 2.67Å; Q349-G353 VanDerWaalsContact O-N 3.11Å
354S40Very low42.7Very low101 Ų101130.2 Ų130.271%0.70674%0.738SS**  trans-139.386.1-174-73.70000113.1W352W352-S354 PolarHBondContact O-N 3.29Å
355N38.3Very low41.2Very low166 Ų166132.1 Ų132.189%0.88875%0.748SS**  trans-174.959.7153.2-100.1-28.4000115
356T37.1Very low40.8Very low145 Ų145133.8 Ų133.889%0.8975%0.747SS**  trans-141112.2160.248.70000112.8
357S37.6Very low39.6Very low110 Ų110135.8 Ų135.877%0.76976%0.755SS**  trans-25.8144.3176.2-159.20000119.5
358E42.9Very low38.8Very low187 Ų187138.3 Ų138.387%0.87476%0.757SS**  trans-60.1134.3149.9-54.4176.7114.900110.5
359V34.7Very low37.9Very low124 Ų124137 Ų13775%0.75275%0.754SS**  trans-150.1105.8150.9-178.20000111.1
360V30.2Very low36.8Very low120 Ų120139 Ų13973%0.72776%0.764SS**  trans35.3106.8142.4-168.80000120.6
361C30.7Very low36Very low111 Ų111140.1 Ų140.175%0.7577%0.766SS**  trans17.3141.5134.6-49.10000122.3
362Y28.6Very low35.3Very low225 Ų225138.3 Ų138.388%0.88277%0.77SS**  -166.4124.5111.8-110.4-71.9000115.1
363S26.6Very low34.4Very low102 Ų102132 Ų13271%0.71376%0.764SS**  trans6.6124.9156.2-172.20000121.4
364C25Very low33.5Very low125 Ų125137.2 Ų137.285%0.84577%0.774SS**  -174.613793.8-129.50000114.7
365D25.5Very low33.2Very low150 Ų150139.1 Ų139.180%0.80278%0.775SS**  trans-107.5179.3168.9-129.5-17.3000108.5
366P48.4Very low32.8Very low96 Ų96137.3 Ų137.362%0.62377%0.77SS**  cis-135.4-173.5-15.142.3-26.4000113.7
367D29.6Very low32.4Very low130 Ų130135.4 Ų135.470%0.69576%0.763SS**  -167.9126.1125.3-117-17.9000114.6
368Q36.2Very low32.1Very low152 Ų152137 Ų13771%0.7176%0.762SS**  trans52.5140.3151-46.2-51.1-41.700121.2
369T32.8Very low31.5Very low109 Ų109135.8 Ų135.867%0.66976%0.756SS**  cis178.2155.6-11.2-103.50000105.5
370E31.8Very low31.1Very low177 Ų177134.8 Ų134.883%0.82775%0.746SS**  cis-129.5-121.919.9-159.4163.7-119.900112.7
371M35.1Very low31.1Very low168 Ų168133 Ų13383%0.82875%0.745SS**  trans-154.4147.6-166.1-53.4176.5-172.400114.5
372T31Very low31Very low134 Ų134135.6 Ų135.682%0.82275%0.751SS**  trans168.8129.9135.431.80000107.5
373A33.4Very low31.3Very low86 Ų86129.2 Ų129.271%0.71174%0.744SS**  cis70.4131.549.300000113
374E29.1Very low31.5Very low164 Ų164132.9 Ų132.977%0.76676%0.755SS**  cis-167.6160.5-0-125.3-178.8-161.100111.8
375L32.1Very low31.7Very low140 Ų140133.4 Ų133.473%0.73375%0.75SS**  trans68.9158.1147.1-68.3171.7000124.5
376T30.1Very low31.8Very low128 Ų128132.3 Ų132.379%0.78574%0.744SS**  trans66.9129.3161.440.20000119.2
377S28.7Very low31Very low105 Ų105132.3 Ų132.373%0.73475%0.746SS**  cis87.2144.417.1-158.70000117.4
378L30.8Very low31.2Very low144 Ų144131.4 Ų131.475%0.75475%0.75SS**  trans67.8149.7-170.8-87.160.9000114.6
379H30.6Very low30.9Very low162 Ų162129.3 Ų129.375%0.7575%0.752SS**  cis-137.3170.132.9-171-92.6000115.8
380N28Very low30.8Very low102 Ų102130.1 Ų130.155%0.54576%0.757SS.*  trans-82.8148-173.2-38.4-87.4000115.6
381A30.2Very low31Very low84 Ų84128.9 Ų128.969%0.69475%0.751SS**  65.2159.311800000124.7
382D27.7Very low30.8Very low165 Ų165128.7 Ų128.788%0.88275%0.749SS**  trans78127.5155.3-64.2-28000121.8
383A34.4Very low30.6Very low90 Ų90127.4 Ų127.474%0.74475%0.751SS**  trans-83.1162.6169.600000111.4
384L31Very low30.3Very low180 Ų180127.1 Ų127.194%0.94276%0.756SS**  trans-153.5168136.5-136.472.4000112.8
385N29.3Very low30.1Very low135 Ų135125.2 Ų125.272%0.72276%0.762SS**  trans-100.7-177.5-174.7-165.11.2000111.2
386N26.9Very low30.5Very low127 Ų127126 Ų12668%0.67976%0.763SS**  trans91.199.9157.7-66.1-5.5000121.2
387S32.5Very low30.4Very low96 Ų96125.9 Ų125.967%0.67176%0.758SS**  77.3109.9104.8-59.30000123.6
388S32.8Very low30.4Very low112 Ų112126.3 Ų126.378%0.78376%0.756SS**  97.3174.5108.480.30000122.6
389S30.4Very low30.5Very low107 Ų107124.8 Ų124.875%0.74876%0.758SS**  trans78.4137.5-174.380.10000115.6
390T30.2Very low30.5Very low127 Ų127122.1 Ų122.178%0.77976%0.757SS**  cis-156.4-179.1-14.113.10000107.4
391Q36.3Very low30.8Very low151 Ų151125.1 Ų125.171%0.70677%0.771SS**  cis-162.2177.519.1-150-174.882.100110.8
392Q30.7Very low31.1Very low164 Ų164125.2 Ų125.277%0.76677%0.773SS**  trans67104.9166.4-57.5-178.321.100115.8
393A27.5Very low31.5Very low107 Ų107124.7 Ų124.788%0.88477%0.769SS**  78.2118.760.300000113.4
394G26.6Very low31.8Very low79 Ų79126.3 Ų126.381%0.81477%0.77SS**  cis-148.4-156.1-1.400000111.1
395S25.9Very low32.3Very low125 Ų125125.1 Ų125.187%0.87476%0.764SS**  cis-158-170.35.9-159.30000111.3
396M39.9Very low32.7Very low155 Ų155125 Ų12576%0.76477%0.768SS**  trans-87.6164.3175.7-55.5156.858.100110.6
397D27.6Very low33.6Very low127 Ų127124.8 Ų124.868%0.67977%0.773SS**  cis-157.4136.244.3-87.4-58.2000116.1
398T29.7Very low33.6Very low114 Ų114128.5 Ų128.570%0.69978%0.78SS**  trans37.8116.8135.371.30000125
399S32.3Very low33.8Very low112 Ų112128.5 Ų128.578%0.78378%0.781SS**  64.9133.1125.770.60000124.6
400S30.8Very low34.3Very low106 Ų106131.2 Ų131.274%0.74178%0.781SS**  111.4125.4128.2-150.80000121
401I33.6Very low34.7Very low164 Ų164133.2 Ų133.284%0.84178%0.781SS**  trans81.5152.3144.9-133.4165.6000122.6
402A36.9Very low34.6Very low87 Ų87135.7 Ų135.772%0.71979%0.793SS**  trans67.597177.200000115.5
403D35.5Very low35.2Very low153 Ų153136.6 Ų136.682%0.81880%0.797SS**  7811054.3-170.420.9000113.9
404V40.4Very low35.8Very low124 Ų124137.1 Ų137.175%0.75280%0.795SS**  trans-177.2109144.3142.60000109.6
405L43.4Very low36.6Very low156 Ų156136.7 Ų136.782%0.81779%0.79SS**  trans63126.6151.2-54.3177.9000122.5
406T37Very low37.5Very low131 Ų131137 Ų13780%0.80479%0.789SS**  trans-68.8-179.516230.20000113.5
407P46Very low37.7Very low123 Ų123136.9 Ų136.980%0.79979%0.792SS**  cis-132.1-178.710.138-18.1000117.3
408E31.6Very low39Very low174 Ų174136.2 Ų136.281%0.81380%0.797SS**  trans-92.5178.7167-59.7168.5104.900111.8
409S36.8Very low40.3Very low113 Ų113138.4 Ų138.479%0.7980%0.804SS**  trans60171.5148.361.40000120.6
410E41.7Very low41.8Very low163 Ų163141.7 Ų141.776%0.76281%0.807SS**  -158.4152.4-56.8-157.5168.5-14600107.7
411H37.7Very low43.1Very low169 Ų169139.1 Ų139.178%0.78280%0.797SS**  trans51.9124.9174.1-66-69.8000120.5
412Q34.6Very low43.9Very low204 Ų204141.8 Ų141.895%0.95380%0.798SS**  trans-156.1160.6135-121.1175.52.500111.9
413E43.2Very low44.9Very low182 Ų182142.4 Ų142.485%0.8578%0.783SS**  trans-119.8145.7-168.8171.7179.2-175.900110.8
414S39.7Very low45.5Very low119 Ų119141.2 Ų141.283%0.83278%0.776SS**  trans169.4158.3150-84.50000113.2
415G43.9Very low45.9Very low70 Ų70139.2 Ų139.272%0.72277%0.768SS**  trans-83.5-157.2167.200000113.4
416P45.7Very low46.2Very low130 Ų130137.8 Ų137.884%0.84477%0.765SS**  cis-119.8176.412.441.8-30.7000114.9
417N43.8Very low46.7Very low154 Ų154136.9 Ų136.982%0.82476%0.76SS**  trans-92.7121.7171.353.5-25.8000111.9D419N417-D419 PolarHBondContact O-N 3.31Å
418S55Low46.8Very low113 Ų113136.8 Ų136.879%0.7976%0.76SS**  trans-77.9111.3177.454.90000112.4E420S418-E420 PolarHBondContact O-N 2.94Å
419D57.4Low47.3Very low159 Ų159131.1 Ų131.185%0.8575%0.748SS**  trans-73.7109.7167175.222.9000110.4N417 G421N417-D419 PolarHBondContact O-N 3.31Å; D419-G421 PolarHBondContact OD1-N 3.35Å
420E64.1Low47.7Very low182 Ų182132 Ų13285%0.8575%0.751SS**  trans-124.666.1173.8-164.5156.8-152.600111S418 Y422S418-E420 PolarHBondContact O-N 2.94Å; E420-Y422 PolarHBondContact O-N 3.13Å; E420-Y422 VanDerWaalsContact O-N 3.1Å
421G56.9Low47.7Very low51 Ų51132.4 Ų132.453%0.52676%0.758SS.*  trans-65.7100.3-178.700000115D419 Y423D419-G421 PolarHBondContact OD1-N 3.35Å; G421-Y423 PolarHBondContact O-N 3.05Å; G421-Y423 VanDerWaalsContact O-N 3.1Å
422Y49.8Very low47.8Very low221 Ų221133 Ų13387%0.86776%0.761SS**  trans-68.7102.6173-169.5-94000112.3E420 D424E420-Y422 PolarHBondContact O-N 3.13Å; E420-Y422 VanDerWaalsContact O-N 3.1Å; Y422-D424 PolarHBondContact O-N 3.18Å
423Y59Low48Very low100 Ų100130.1 Ų130.139%0.39276%0.757SS.*  trans-8593.8-178-115.3-106.1000112.9G321 R323 G421 S425G321-Y423 WeakPolarHBondContact O-CD2 3.4Å; G321-Y423 WeakPolarHBondContact O-CE2 3.45Å; R323-Y423 VanDerWaalsContact CB-OH 3.29Å; R323-Y423 WeakPolarHBondContact CB-OH 3.09Å; R323-Y423 WeakPolarHBondContact CG-OH 3.49Å; R323-Y423 PolarHBondContact N-OH 2.86Å; R323-Y423 PolarHBondContact NE-OH 2.87Å; G421-Y423 PolarHBondContact O-N 3.05Å; G421-Y423 VanDerWaalsContact O-N 3.1Å; Y423-S425 PolarHBondContact O-N 3.35Å; Y423-S425 VanDerWaalsContact O-N 3.14Å; Y423-S425 PolarHBondContact O-OG 3.29Å
424D47.8Very low47.5Very low128 Ų128130.4 Ų130.468%0.68476%0.759SS**  trans-64.8113.4165.6-1745.9000109.9Y422 T426Y422-D424 PolarHBondContact O-N 3.18Å; D424-T426 PolarHBondContact O-N 3.13Å
425S48.4Very low47.5Very low81 Ų81130.5 Ų130.557%0.56675%0.746SS**  trans-97.586.7-170.6-65.40000110.3Y423 T427Y423-S425 PolarHBondContact O-N 3.35Å; Y423-S425 VanDerWaalsContact O-N 3.14Å; Y423-S425 PolarHBondContact O-OG 3.29Å; S425-T427 PolarHBondContact O-N 3.1Å; S425-T427 PolarHBondContact O-OG1 3.35Å
426T49.9Very low47.1Very low126 Ų126136.2 Ų136.277%0.77375%0.751SS**  trans-69.165.516940.80000111.7D424 P428D424-T426 PolarHBondContact O-N 3.13Å; T426-P428 VanDerWaalsContact O-CD 3.29Å; T426-P428 WeakPolarHBondContact O-CD 3.47Å
427T47Very low46.5Very low112 Ų112138.9 Ų138.969%0.68774%0.744SS**  trans-62.4118.2170.2-55.80000108.3S425 G429S425-T427 PolarHBondContact O-N 3.1Å; S425-T427 PolarHBondContact O-OG1 3.35Å; T427-G429 PolarHBondContact O-N 3.16Å; T427-G429 VanDerWaalsContact O-N 3.08Å
428P48.7Very low46.2Very low122 Ų122137.5 Ų137.579%0.79275%0.746SS**  trans-67110.9169.7-1631.5000108T426T426-P428 VanDerWaalsContact O-CD 3.29Å; T426-P428 WeakPolarHBondContact O-CD 3.47Å
429G42.8Very low45.3Very low55 Ų55135.8 Ų135.857%0.56775%0.747SS**  trans-62.3160.2170.800000111.3T427 D431T427-G429 PolarHBondContact O-N 3.16Å; T427-G429 VanDerWaalsContact O-N 3.08Å; G429-D431 PolarHBondContact O-N 3.14Å
430P45.8Very low44.5Very low131 Ų131140 Ų14085%0.85175%0.751SS**  trans-71.3101.7-178.929.5-34000110.8E432P430-E432 PolarHBondContact O-N 3.37Å
431D41Very low43.7Very low171 Ų171138.5 Ų138.591%0.91475%0.748SS**  trans-63.2125.6166.9-102.3-26.1000109.6G429G429-D431 PolarHBondContact O-N 3.14Å
432E39.2Very low43.2Very low182 Ų182141 Ų14185%0.8576%0.755SS**  trans-72.7157.5-169.1-68.9-167.4175.300114.3P430 Q434P430-E432 PolarHBondContact O-N 3.37Å; E432-Q434 PolarHBondContact O-N 2.92Å; E432-Q434 VanDerWaalsContact O-N 3.14Å
433V39.4Very low43.3Very low144 Ų144141.2 Ų141.287%0.87375%0.754SS**  trans-58.5112.3-178.3179.40000112.1
434Q33.2Very low42.6Very low188 Ų188143.6 Ų143.688%0.87977%0.774SS**  trans-125.1118.8154.8-71.3-135.75.600113.4E432E432-Q434 PolarHBondContact O-N 2.92Å; E432-Q434 VanDerWaalsContact O-N 3.14Å
435E38.5Very low42.7Very low121 Ų121141.8 Ų141.857%0.56577%0.771SS**  trans-79.5120.9178.9179.2-155.3-176.900112R437E435-R437 IonicContact OE1-CZ 3.09Å; E435-R437 IonicContact OE1-NH1 2.67Å; E435-R437 PolarHBondContact OE1-NH1 3.29Å; E435-R437 IonicContact OE1-NH2 2.76Å; E435-R437 PolarHBondContact OE1-NH2 3.3Å
436K35.8Very low42.9Very low189 Ų189147.7 Ų147.782%0.82278%0.782SS**  trans-164.195.2145.6-102.8135.5-159.21600116
437R33.3Very low43.1Very low186 Ų186145.3 Ų145.370%0.70277%0.77SS**  trans16.1139143.9-62.7-175.8176.370.219121.7E435E435-R437 IonicContact OE1-CZ 3.09Å; E435-R437 IonicContact OE1-NH1 2.67Å; E435-R437 PolarHBondContact OE1-NH1 3.29Å; E435-R437 IonicContact OE1-NH2 2.76Å; E435-R437 PolarHBondContact OE1-NH2 3.3Å
438S36.7Very low43.6Very low125 Ų125143 Ų14387%0.87477%0.769SS**  trans75.3110.9135.660.50000120.6
439G35.9Very low44.2Very low77 Ų77143.1 Ų143.179%0.79476%0.763SS**  trans-168.890.1160.400000109.9L441G439-L441 PolarHBondContact O-N 3.18Å
440R40.8Very low45Very low248 Ų248143 Ų14394%0.93676%0.757SS**  trans-77.7118.9175.2-130.2-173.1-166.9-99.76.9107.9
441L47.8Very low45.5Very low150 Ų150143.1 Ų143.179%0.78575%0.75SS**  trans-106.9146.8153-64.1177.9000107.4G439G439-L441 PolarHBondContact O-N 3.18Å
442P46.7Very low46Very low104 Ų104145.3 Ų145.368%0.67575%0.747SS**  trans-53.4138.2156.2-1832.3000108.2
443R51Low47Very low226 Ų226145 Ų14585%0.85375%0.745SS**  trans-105.296.8175.5-165.5175.8-173.4137.80.8106.8S445R443-S445 PolarHBondContact O-N 3.43Å
444D45.3Very low47.8Very low150 Ų150145 Ų14580%0.80274%0.74SS**  trans-68.897.6-175.6-50.4-33.8000107.6
445S49.9Very low48.7Very low89 Ų89145.1 Ų145.162%0.62274%0.737SS**  trans-146.158.4-171.3-64.10000108.6R443 S447R443-S445 PolarHBondContact O-N 3.43Å; S445-S447 PolarHBondContact O-N 3.01Å
446Y51.3Low49.4Very low206 Ų206143.1 Ų143.181%0.80874%0.742SS**  trans-74.6105164.3-162.4-102.2000106.9
447S55.5Low50.3Low75 Ų75139 Ų13952%0.52474%0.735SS.*  trans-68.3142.2172.547.20000109.4S445 D449S445-S447 PolarHBondContact O-N 3.01Å; S447-D449 WeakPolarHBondContact CB-OD2 3.27Å; S447-D449 PolarHBondContact O-N 2.86Å; S447-D449 PolarHBondContact OG-OD2 3.03Å
448G56.2Low51Low65 Ų65136.1 Ų136.167%0.6773%0.733SS**SBendtrans-77.539.5-169.100000114.4
449D61.8Low51.8Low123 Ų123138 Ų13866%0.65873%0.728SS**  trans-90.3-5.3-165.9-47.3-38.9000112.6S447 L451S447-D449 WeakPolarHBondContact CB-OD2 3.27Å; S447-D449 PolarHBondContact O-N 2.86Å; S447-D449 PolarHBondContact OG-OD2 3.03Å; D449-L451 PolarHBondContact O-N 3.13Å
450A60.5Low52.6Low52 Ų52139.5 Ų139.543%0.4373%0.726SS.*THydrogen-bonded Turntrans-90.127.4-170.500000115.3
451L55.8Low52.9Low135 Ų135134.4 Ų134.471%0.70772%0.717SS**THydrogen-bonded Turntrans-117.34.3-177.1-68.4179.1000115.1D449D449-L451 PolarHBondContact O-N 3.13Å
452Y52.1Low53Low217 Ų217134.1 Ų134.185%0.85172%0.715SS**SBendtrans-1075.6178.5-76.9-77.1000114.7
453E59.8Low52.7Low175 Ų175134 Ų13482%0.81872%0.716SS**SBendtrans-105.2-6.6-176.5-156.6166.3-147.300113.6
454L55.2Low52.2Low145 Ų145128.8 Ų128.876%0.75971%0.711SS**SBendtrans-98.9-1.4178.8-66.8175.9000114.3
455F53.2Low51.7Low189 Ų189129.8 Ų129.883%0.82971%0.711SS**  trans-132.733.8-179.8-70.5-71.8000112.6P457F455-P457 WeakPolarHBondContact O-CD 3.21Å
456A53.1Low50.9Low79 Ų79135.7 Ų135.765%0.65372%0.721SS**  trans-81115.4153.900000107.5
457P53.6Low50.1Low104 Ų104131.6 Ų131.668%0.67571%0.709SS**  trans-67.3141171-15.230.9000109.5F455 E459F455-P457 WeakPolarHBondContact O-CD 3.21Å; P457-E459 VanDerWaalsContact C-N 3.29Å; P457-E459 PolarHBondContact O-N 3.34Å
458D49.2Very low49Very low124 Ų124134 Ų13466%0.66372%0.716SS**  trans-70.284.3173-85.5-45.1000110.7S460 L461D458-S460 PolarHBondContact O-N 3.15Å; D458-L461 HydrophobicContact CB-CD1 4.27Å; D458-L461 HydrophobicContact CB-CG 4.26Å; D458-L461 PolarHBondContact O-N 3.19Å
459E53Low48.5Very low164 Ų164138.4 Ų138.477%0.76672%0.717SS**G310 helixtrans-59.1-12.6176.6-63.5-169.7168.500113P457 L461P457-E459 VanDerWaalsContact C-N 3.29Å; P457-E459 PolarHBondContact O-N 3.34Å; E459-L461 PolarHBondContact O-N 3.14Å
460S53Low47.3Very low109 Ų109136.2 Ų136.276%0.76271%0.711SS**G310 helixtrans-65.9-11.7171-65.50000114.7D458D458-S460 PolarHBondContact O-N 3.15Å
461L47.6Very low46Very low142 Ų142142.8 Ų142.874%0.74373%0.733SS**G310 helixtrans-96-2.4-178.1-62.2-177.9000115.1D458 E459D458-L461 HydrophobicContact CB-CD1 4.27Å; D458-L461 HydrophobicContact CB-CG 4.26Å; D458-L461 PolarHBondContact O-N 3.19Å; E459-L461 PolarHBondContact O-N 3.14Å
462I49.5Very low45Very low144 Ų144144.5 Ų144.574%0.73874%0.742SS**  trans-93.1-10.4-175.3-96.259.1000114.1P464I462-P464 VanDerWaalsContact O-CD 3.3Å; I462-P464 WeakPolarHBondContact O-CD 3.35Å
463S40.3Very low44.7Very low102 Ų102139.8 Ų139.871%0.71374%0.738SS**  trans-78.3118.1178.5-75.50000112.9H465S463-H465 PolarHBondContact O-N 3.44Å
464P41.2Very low43.3Very low115 Ų115137 Ų13775%0.74774%0.738SS**  trans-70.7119.9171.8-1329.5000109.7I462 Y466I462-P464 VanDerWaalsContact O-CD 3.3Å; I462-P464 WeakPolarHBondContact O-CD 3.35Å; P464-Y466 VanDerWaalsContact C-N 3.34Å; P464-Y466 PolarHBondContact O-N 3.13Å
465H33.3Very low42.4Very low172 Ų172134.8 Ų134.880%0.79674%0.735SS**  trans-71.784.5-178.3-176.9-74.3000111.7S463 E467S463-H465 PolarHBondContact O-N 3.44Å; H465-E467 PolarHBondContact O-N 3.37Å; H465-E467 VanDerWaalsContact O-N 3.14Å
466Y34.4Very low41.6Very low213 Ų213135 Ų13584%0.83574%0.735SS**  trans-74.8101.8-179.9-142.3-83.1000110.8P464 N468P464-Y466 VanDerWaalsContact C-N 3.34Å; P464-Y466 PolarHBondContact O-N 3.13Å; Y466-N468 VanDerWaalsContact C-N 3.3Å; Y466-N468 PolarHBondContact O-N 2.98Å
467E34.2Very low40.6Very low119 Ų119139.6 Ų139.656%0.55674%0.743SS**  trans-75.874.8-174.6-160.7-162.1-156.200112H465 K469H465-E467 PolarHBondContact O-N 3.37Å; H465-E467 VanDerWaalsContact O-N 3.14Å; E467-K469 VanDerWaalsContact C-N 3.32Å; E467-K469 HydrophobicContact CG-CG 4.32Å; E467-K469 PolarHBondContact O-N 3.03Å; E467-K469 WeakPolarHBondContact OE1-CE 3.32Å; E467-K469 IonicContact OE1-NZ 2.72Å; E467-K469 PolarHBondContact OE1-NZ 3.1Å; E467-K469 WeakPolarHBondContact OE2-CE 3.15Å; E467-K469 IonicContact OE2-NZ 2.64Å; E467-K469 PolarHBondContact OE2-NZ 3.1Å
468N31.8Very low39.4Very low125 Ų125137.9 Ų137.967%0.66874%0.744SS**  trans-74.482.1179.6-166.5-26.3000111.6Y466 S470Y466-N468 VanDerWaalsContact C-N 3.3Å; Y466-N468 PolarHBondContact O-N 2.98Å; N468-S470 VanDerWaalsContact C-N 3.32Å; N468-S470 PolarHBondContact O-N 3.23Å; N468-S470 PolarHBondContact OD1-OG 3.23Å; N468-S470 VanDerWaalsContact OD1-OG 3.06Å
469K45.5Very low38.6Very low159 Ų159138.2 Ų138.269%0.69175%0.746SS**  trans-69.880.7173.3-79.6171.1169.2142.20111.6E467E467-K469 VanDerWaalsContact C-N 3.32Å; E467-K469 HydrophobicContact CG-CG 4.32Å; E467-K469 PolarHBondContact O-N 3.03Å; E467-K469 WeakPolarHBondContact OE1-CE 3.32Å; E467-K469 IonicContact OE1-NZ 2.72Å; E467-K469 PolarHBondContact OE1-NZ 3.1Å; E467-K469 WeakPolarHBondContact OE2-CE 3.15Å; E467-K469 IonicContact OE2-NZ 2.64Å; E467-K469 PolarHBondContact OE2-NZ 3.1Å
470S37Very low37.6Very low77 Ų77140.1 Ų140.154%0.53875%0.747SS.*  trans-144.4146.1166.364.70000114.9N468N468-S470 VanDerWaalsContact C-N 3.32Å; N468-S470 PolarHBondContact O-N 3.23Å; N468-S470 PolarHBondContact OD1-OG 3.23Å; N468-S470 VanDerWaalsContact OD1-OG 3.06Å
471Q32.8Very low36.7Very low189 Ų189142.3 Ų142.388%0.88375%0.75SS**  trans84.6131.3167.6-47.1-164.621.700118.8
472L34.3Very low36Very low171 Ų171140.5 Ų140.590%0.89575%0.745SS**  trans-104.6176-177-92.2168000109.8
473P47.2Very low35.1Very low119 Ų119141.3 Ų141.377%0.77375%0.745SS**  trans-98.7164.9-139.638.1-39.5000116.2
474S30.4Very low34.7Very low115 Ų115141.7 Ų141.780%0.80475%0.748SS**  trans-141.2149.914679.50000107.8
475S35.7Very low34.2Very low100 Ų100142.2 Ų142.270%0.69975%0.749SS**  cis144.7108.2-6.8171.30000105.4
476K36.8Very low34.1Very low193 Ų193141 Ų14184%0.83975%0.749SS**  trans179145.6139.9-95.9151.2-172.5177.50112.2
477H31.2Very low34Very low176 Ų176135.7 Ų135.782%0.81574%0.742SS**  trans-11.8148.8162.9-57-99000117.7
478G30Very low33.9Very low68 Ų68136.9 Ų136.970%0.70176%0.758SS**  cis149.616623.300000106.6
479D31.3Very low33.9Very low131 Ų131138 Ų13870%0.70176%0.764SS**  cis-160.8147.412.4-97.5-37.9000111.3
480Y31.6Very low34Very low203 Ų203135.6 Ų135.680%0.79677%0.765SS**  trans35.8126.1159-64.1-84.8000125.3
481L35.4Very low33.7Very low156 Ų156135 Ų13582%0.81776%0.764SS**  160.1114.9122.4-83.2166.5000109.8
482T32.2Very low33.8Very low103 Ų103135.2 Ų135.263%0.63276%0.762SS**  78.9119.374-68.80000113.1
483E31.6Very low33.7Very low161 Ų161133 Ų13375%0.75276%0.756SS**  cis-168.2-174-4.9-137.9134.510400113.7
484S30.8Very low33Very low110 Ų110135.1 Ų135.177%0.76976%0.76SS**  trans72.9131.1177.172.10000117.2
485V30.6Very low33Very low127 Ų127136.3 Ų136.377%0.7775%0.753SS**  cis103.1106.422.7174.20000113.8
486N31.3Very low32.9Very low147 Ų147139 Ų13979%0.78676%0.756SS**  trans158.591.3149.5-81.9-22.2000108.6
487S32Very low32.9Very low100 Ų100134.6 Ų134.670%0.69975%0.75SS**  69.6101.184.2720000115.9
488T33.5Very low32.9Very low145 Ų145135.1 Ų135.189%0.8975%0.752SS**  176.7115.5125.2-68.20000110.5
489D30.1Very low33Very low147 Ų147140.2 Ų140.279%0.78676%0.762SS**  trans-99.5163.3161.9-167.947.3000106.3
490P48.2Very low33Very low110 Ų110143.1 Ų143.171%0.71477%0.772SS**  cis-133.7-15215.633.3-5.8000112
491A30.9Very low33.1Very low63 Ų63141.4 Ų141.452%0.52177%0.774SS.*  cis-169163.813.800000114.9
492F34.2Very low33Very low194 Ų194139.1 Ų139.185%0.85177%0.772SS**  trans58.2133.2158.4-51.1-60.8000119.3
493V33.8Very low33Very low124 Ų124138.8 Ų138.875%0.75278%0.779SS**  cis88.7105.823.5-174.80000116.1
494L32Very low33.1Very low165 Ų165138.4 Ų138.486%0.86478%0.782SS**  trans-169.5128.8153.9-138.970.1000105
495E30.5Very low33.3Very low139 Ų139141.1 Ų141.165%0.6579%0.787SS**  cis83.912423.2-138.7-158146.500116.1
496M33.8Very low33.4Very low158 Ų158144.9 Ų144.978%0.77879%0.789SS**  trans64.6150.3170.3-59.6-49.6-155.100118.6
497S35.8Very low33.7Very low100 Ų100147.3 Ų147.370%0.69979%0.793SS**  cis-163.4170.9-19.451.20000110.2
498H31Very low33.8Very low186 Ų186148.4 Ų148.486%0.86179%0.791SS**  trans-59.3149.9179.7-65.9-105.5000114
499L33.2Very low33.8Very low175 Ų175149 Ų14992%0.91679%0.788SS**  trans-125.7138.1155.8-75.4176.6000110.3
500Q30.8Very low33.8Very low193 Ų193149.8 Ų149.890%0.90279%0.785SS**  trans-116.6135.4-179.9-179.5177.5-0.600107.9
501I33Very low33Very low166 Ų166152 Ų15285%0.85179%0.79SS**  trans-115126-178.2-58.9176.6000108.8
502S33Very low32.9Very low109 Ų109153.4 Ų153.476%0.76280%0.802SS**  trans-115.6141.2169.554.90000109.5
503A33.9Very low32.6Very low95 Ų95153.3 Ų153.379%0.78581%0.806SS**  trans-78.5147.5175.900000111.7
504D33.4Very low32.5Very low153 Ų153152.5 Ų152.582%0.81881%0.806SS**  trans-176.5113.2150.1-108.7-22000111.4
505L34.4Very low32.4Very low168 Ų168149.4 Ų149.488%0.8880%0.798SS**  178.7138.2124-12271.2000112.6
506Y33.8Very low32.3Very low205 Ų205148.3 Ų148.380%0.80481%0.806SS**  trans-81.1152.7166.9-86-113000111.8
507K36.1Very low32Very low199 Ų199150.7 Ų150.787%0.86581%0.813SS**  -176.8154.2107.5-98.7-169.1178.4-151.10114.5
508D35.1Very low31.6Very low123 Ų123151.3 Ų151.366%0.65882%0.817SS**  trans-77.7154.4-176-37.5-98.8000113.3
509D32.7Very low31.7Very low156 Ų156152.6 Ų152.683%0.83482%0.82SS**  -164.8172.3108.1-123.4-39.4000113.3
510F29.8Very low31.5Very low165 Ų165152.1 Ų152.172%0.72482%0.818SS**  trans-87.6148-154.5-86-115.8000118.9
511L33Very low31.4Very low156 Ų156151.3 Ų151.382%0.81781%0.814SS**  trans55114.6146-65.6167.1000120.3
512A28.2Very low31.3Very low93 Ų93149.1 Ų149.177%0.76980%0.804SS**  171131.189.300000112.5
513M28.6Very low31.2Very low191 Ų191151.6 Ų151.694%0.94181%0.808SS**  trans-150119.2159.5-171.6149.5-72.300110.9
514S30.8Very low30.9Very low107 Ų107150.7 Ų150.775%0.74881%0.807SS**  trans-124.8125.1176.9-57.70000110.4
515S29.1Very low30.8Very low100 Ų100148.3 Ų148.370%0.69981%0.809SS**  trans43.1115.1148.161.90000120.3
516S29.7Very low30.6Very low117 Ų117146.1 Ų146.182%0.81880%0.798SS**  76.2122.6129.5-53.20000120.4
517F26.1Very low30.7Very low208 Ų208143.1 Ų143.191%0.91279%0.791SS**  trans-65144.4157.8-81.5-95.3000111.6
518S28.9Very low30.6Very low112 Ų112139.2 Ų139.278%0.78378%0.78SS**  trans-144.5146.9152.8-81.30000109
519K31.4Very low30.4Very low213 Ų213138.2 Ų138.293%0.92678%0.782SS**  trans-78.6143.5-168.3-73.8178.3177173.30112.3
520N29.8Very low30.3Very low165 Ų165136.6 Ų136.688%0.88277%0.773SS**  trans-76.8132.8177.5-71.4-31.8000113.2
521Q29.5Very low30.5Very low176 Ų176135.3 Ų135.382%0.82277%0.773SS**  trans-153.8141.1144.1-102.3-165.3-46.200106.4
522D29.5Very low30.4Very low120 Ų120133.4 Ų133.464%0.64276%0.763SS**  cis-159.1173.7-4.6-151-31.1000108.7
523I32Very low30.4Very low162 Ų162135.5 Ų135.583%0.83176%0.761SS**  trans66.2121.8162-55.3155.6000118
524G28.2Very low30.5Very low75 Ų75135.4 Ų135.477%0.77376%0.755SS**  trans160.8121.8156.900000115.6
525A31.2Very low31.9Very low104 Ų104134.7 Ų134.786%0.8675%0.748SS**  trans-82.5171.4172.300000111.1
526N30.3Very low32Very low121 Ų121137.4 Ų137.465%0.64775%0.75SS**  cis-154.6172.619.466.9-27.5000114.9
527E36.1Very low32Very low143 Ų143138.3 Ų138.367%0.66874%0.744SS**  trans51.9122.6140.3-76.3174.5-103.700124.2
528N32.5Very low32.1Very low117 Ų117135.2 Ų135.263%0.62674%0.736SS**  82.1112.6123.8-65.5-19.9000122.4
529C31.6Very low32.1Very low102 Ų102135.9 Ų135.969%0.68974%0.735SS**  75.6154.9123-64.20000119
530N30.3Very low31.9Very low122 Ų122132.1 Ų132.165%0.65273%0.725SS**  cis-169.6138.1-18.9-110.3-21.3000109.8
531L33.7Very low32Very low138 Ų138128.9 Ų128.972%0.72371%0.711SS**  trans62.6167.6139.7-55.7174.8000117.7
532N30.8Very low32.3Very low115 Ų115126.8 Ų126.862%0.61571%0.706SS**  cis-161.1167.2-8.7-127.2-21.4000112.1
533L28.9Very low32.6Very low138 Ų138128.1 Ų128.172%0.72371%0.713SS**  trans53.3126.8146-63165.1000119.8
534K30.5Very low32.7Very low188 Ų188127.7 Ų127.782%0.81771%0.712SS**  cis64.9152.840-131.1-162.6177.2178.50113.5
535P59.6Low33Very low92 Ų92133 Ų13360%0.59771%0.713SS**  cis-129.5-171.8-45.122.50.5000114
536Q31.6Very low33.3Very low157 Ų157132.4 Ų132.473%0.73471%0.709SS**  146.9152.3116.6-78.3-162.689.900118.7
537I29.4Very low33.3Very low137 Ų137135.5 Ų135.570%0.70372%0.716SS**  trans73147.7142.2-81.1167000118.6
538L28.2Very low33.3Very low142 Ų142135.3 Ų135.374%0.74372%0.718SS**  cis-177.8174.2-15-173.968.4000110
539V28.6Very low33.3Very low126 Ų126138.7 Ų138.776%0.76473%0.728SS**  trans81.4146.6159.1-1720000117.5
540N28Very low33.5Very low134 Ų134140.3 Ų140.372%0.71773%0.73SS**  cis-177.6172.2-33.2-164.92.8000110.1
541T32.5Very low33.9Very low97 Ų97140.8 Ų140.860%0.59573%0.728SS**  trans73.7112.4151.844.40000125.6
542N35.2Very low34.1Very low133 Ų133141.7 Ų141.771%0.71173%0.726SS**  83.4100.6118.2-61.1-10.4000126.4
543N34.7Very low34.3Very low148 Ų148143 Ų14379%0.79173%0.729SS**  34.5136.4114.2-67.6-57000124.5
544L34.7Very low34.4Very low152 Ų152141.8 Ų141.880%0.79673%0.727SS**  -178.1130.4129.9-104.9166000118.1
545K35.8Very low34.5Very low186 Ų186141.2 Ų141.281%0.80973%0.729SS**  trans44.5136.4152.8-76.4175.4-177.1170.60122.4
546A36.2Very low33.3Very low92 Ų92144.8 Ų144.876%0.7674%0.742SS**  83.9141.951.200000114.6
547K31.4Very low33.4Very low186 Ų186141.9 Ų141.981%0.80975%0.746SS**  cis-145.8156.731.4-74.2-179.9171.4-1750113.3
548I35.1Very low33.4Very low139 Ų139141.6 Ų141.671%0.71376%0.756SS**  38.3134.390.6-4.4171.7000115.9
549F33.6Very low33.7Very low188 Ų188139 Ų13983%0.82575%0.754SS**  cis-165.1-165.145.8-124.7-81.1000111.8
550D35.8Very low33.9Very low136 Ų136139.5 Ų139.573%0.72775%0.753SS**  -147.7179.3-105.5-160.6-1.2000112.7
551E37.9Very low34.3Very low132 Ų132141.5 Ų141.562%0.61776%0.755SS**  trans77.7122.1156.4-68.6-156.3122.800125.7
552K37.5Very low34.4Very low158 Ų158148.3 Ų148.369%0.68777%0.77SS**  69.6161.6125.4-70.1-174.2170149.80124
553E34.6Very low34.2Very low143 Ų143148.4 Ų148.467%0.66878%0.776SS**  cis-174.2159.6-23.8178.7170.2176.300112
554T30.8Very low34.3Very low112 Ų112150.9 Ų150.969%0.68778%0.779SS**  trans65.2110.2160400000124.8
555M33.6Very low34.8Very low175 Ų175148.8 Ų148.886%0.86278%0.775SS**  63.2148.1111.1-91.6-165.4-179.700127.3
556L33.6Very low34.7Very low167 Ų167146.9 Ų146.987%0.87477%0.772SS**  trans93.4158.6149.9-76.7167.6000122.1
557A33.8Very low34.4Very low97 Ų97149.8 Ų149.880%0.80278%0.775SS**  trans-114.7173.6-147.100000116.6
558S29.5Very low34.7Very low130 Ų130145.5 Ų145.591%0.90977%0.774SS**  trans-157.3172.2166.3-165.40000112
559A34.2Very low34.6Very low87 Ų87145.7 Ų145.772%0.71977%0.772SS**  trans-151.5167.9-160.100000118.6
560D33Very low34.6Very low137 Ų137145.1 Ų145.173%0.73376%0.764SS**  trans83.5153.4148-166.135.7000121.5
561K36.2Very low34.4Very low177 Ų177143.6 Ų143.677%0.7775%0.753SS**  trans128.576.3150.5-67162.4-172.3165.60119.9
562R34.6Very low34.8Very low239 Ų239147.3 Ų147.390%0.90277%0.767SS**  38.9123.4116.1-172.7-168.3-165.4179.77.3121.8
563T32.7Very low34.7Very low135 Ų135149.7 Ų149.783%0.82877%0.772SS**  trans-149.1153.6149.4-19.30000113.7
564K36.9Very low34.6Very low200 Ų200148 Ų14887%0.8777%0.774SS**  trans-148.3156.1166.1-76.5-165.3176.1-1710108.3
565P45.2Very low34.6Very low109 Ų109148.3 Ų148.371%0.70878%0.781SS**  -157.2160.7101.440.2-21.5000118.5
566I31.9Very low34.5Very low145 Ų145143.3 Ų143.374%0.74478%0.775SS**  trans57.9113.8139.2-69.2168.7000118.8
567N31.1Very low34.5Very low153 Ų153144.4 Ų144.482%0.81878%0.78SS**  68.814171.1-66.6-5.4000114.2
568A37.6Very low34.5Very low96 Ų96144.4 Ų144.479%0.79377%0.774SS**  cis-148.5175-4.500000107.6
569E32.5Very low34.7Very low144 Ų144148.3 Ų148.367%0.67378%0.775SS**  cis-155.4-153.338.8-139.8-156.3175.400108.7
570R33.1Very low34.4Very low175 Ų175147.7 Ų147.766%0.6678%0.778SS**  cis-144.6167.21.2-171.8159.3-168.891.515.4111.3
571E33.1Very low34.5Very low105 Ų105147 Ų14749%0.49178%0.784SS.*  trans-43.4139172.3-52.8173.485.900118.6R573E571-R573 IonicContact OE1-NH2 3.43Å; E571-R573 PolarHBondContact OE1-NH2 3Å
572K45.1Very low34.5Very low209 Ų209143.4 Ų143.491%0.90979%0.787SS**  -155160.4105.4-107.3170.7-175.9177.10111.9
573R36.8Very low34.5Very low209 Ų209137.4 Ų137.479%0.78978%0.781SS**  trans-97.2164.4-171.3-77.9170-100.6156.7-6.9110.8E571E571-R573 IonicContact OE1-NH2 3.43Å; E571-R573 PolarHBondContact OE1-NH2 3Å
574C32.2Very low34.8Very low106 Ų106138.5 Ų138.572%0.71678%0.782SS**  cis-160.4168.15.7-130.40000111.4
575S31Very low35.3Very low120 Ų120134.2 Ų134.284%0.83977%0.774SS**  trans53.3135.9154.554.20000121.4
576G30.8Very low34.9Very low70 Ų70136.3 Ų136.372%0.72278%0.78SS**  cis164.2176.1-7.400000115.6
577L34.3Very low35.1Very low189 Ų189139.4 Ų139.499%0.9979%0.788SS**  trans70.5168.5169.2-59.8179.2000118.6
578S31.9Very low35.5Very low97 Ų97140.3 Ų140.368%0.67879%0.788SS**  trans-167.7164.2-151.8-166.70000112.7
579F33.9Very low35.5Very low213 Ų213140.9 Ų140.993%0.93478%0.781SS**  trans65.8142.7174.7-66.7-77.6000118.5
580G28.5Very low35.5Very low74 Ų74143 Ų14376%0.76379%0.789SS**  trans154.3117.4172.900000111.4
581S36.1Very low35.6Very low123 Ų123140 Ų14086%0.8679%0.793SS**  trans-137.2155.4174.4-60.60000110.2
582A34.8Very low35.5Very low101 Ų101143.7 Ų143.784%0.83581%0.81SS**  trans68111.217100000118.1
583S35.3Very low35.1Very low113 Ų113139.7 Ų139.779%0.7981%0.806SS**  -171.8135.3123.357.60000110.2
584D39.1Very low34.9Very low158 Ų158139.5 Ų139.585%0.84581%0.811SS**  trans-67.9165.6164-52.2-77.1000111.2
585P46.2Very low35.2Very low109 Ų109143 Ų14371%0.70882%0.817SS**  trans-136.1156.8136.438-27.9000113.9
586D38.5Very low35.4Very low153 Ų153145.7 Ų145.782%0.81882%0.816SS**  trans-63.7163.1174-49.4-86.1000113.6
587F34.8Very low35.6Very low210 Ų210151.3 Ų151.392%0.92182%0.823SS**  trans-132.8112.4157.5-92.1-86.3000110.4
588E40.7Very low35.9Very low173 Ų173150.1 Ų150.181%0.80882%0.816SS**  trans-122.8138.5172.2-175.1178.4-135.500108.6
589T37.8Very low36.2Very low108 Ų108153.7 Ų153.766%0.66382%0.822SS**  trans67.5133.1179.4-3.70000117.1
590F32.5Very low36.4Very low189 Ų189150.3 Ų150.383%0.82981%0.809SS**  -175.1134.1105.5-100.9-66.1000113.2
591C33.4Very low37Very low110 Ų110155 Ų15574%0.74382%0.816SS**  trans43.6126.4159-63.40000122.4
592E32Very low37.2Very low183 Ų183156 Ų15686%0.85581%0.805SS**PPolyproline II helixtrans-61.5143147.6-58.3160129.200110.9
593P37.2Very low37.4Very low126 Ų126157.7 Ų157.782%0.81881%0.808SS**PPolyproline II helixtrans-77.2147.7153.6-0.319.1000109.7
594K31Very low37.3Very low204 Ų204158.3 Ų158.389%0.88781%0.806SS**PPolyproline II helixtrans-83.6156173.4-73.3-173.3176.4-174.60112.2
595E38.5Very low37.3Very low180 Ų180155.2 Ų155.284%0.84180%0.803SS**PPolyproline II helixtrans-56.1130.2173.9-173.7168.7-127.100113.2
596E35.4Very low36.9Very low177 Ų177157.1 Ų157.183%0.82781%0.806SS**  trans-129.2129.7160.1-74.7-170.8167.600107.9I598E596-I598 PolarHBondContact O-N 2.89Å
597H36.3Very low36.7Very low188 Ų188155.5 Ų155.587%0.8780%0.804SS**  trans-60.8124175-92.2-115.1000110.2
598I40.2Very low36.4Very low163 Ų163156.5 Ų156.584%0.83680%0.803SS**  trans-121.9134.7162.7-62.9-175.8000109.3E596E596-I598 PolarHBondContact O-N 2.89Å
599E37.6Very low36Very low172 Ų172157.6 Ų157.680%0.80481%0.806SS**  trans-88.5158.8-165-179171.5-137.900112.8
600E39.6Very low35.5Very low143 Ų143158.8 Ų158.867%0.66881%0.808SS**  trans63.4119.7169.6-82.5-177.6-177.500120.7K602E600-K602 PolarHBondContact O-N 3.19Å; E600-K602 IonicContact OE2-NZ 2.52Å; E600-K602 PolarHBondContact OE2-NZ 3.42Å
601N40.7Very low35.5Very low171 Ų171156.7 Ų156.791%0.91480%0.804SS**  trans-59.5111.5160.7-75.4-66.1000112
602K39.5Very low35.4Very low145 Ų145158.4 Ų158.463%0.6381%0.806SS**  trans-137.8128.1160.5-69-167.1174.789.60110.8E600 V604E600-K602 PolarHBondContact O-N 3.19Å; E600-K602 IonicContact OE2-NZ 2.52Å; E600-K602 PolarHBondContact OE2-NZ 3.42Å; K602-V604 PolarHBondContact O-N 2.98Å
603P38.6Very low35.4Very low136 Ų136154 Ų15488%0.88380%0.795SS**  trans-7299.1178.428.5-33.7000110.9A605P603-A605 PolarHBondContact O-N 3.35Å; P603-A605 VanDerWaalsContact O-N 3.14Å
604V34.7Very low35.3Very low126 Ų126157.7 Ų157.776%0.76480%0.802SS**  trans-74103.2176.8178.90000109.9K602 L606K602-V604 PolarHBondContact O-N 2.98Å; V604-L606 PolarHBondContact O-N 2.79Å
605A38.3Very low35.3Very low94 Ų94153.3 Ų153.378%0.77780%0.797SS**  trans-65.1116.4175.900000111.4P603P603-A605 PolarHBondContact O-N 3.35Å; P603-A605 VanDerWaalsContact O-N 3.14Å
606L37Very low35.1Very low148 Ų148153.5 Ų153.578%0.77580%0.797SS**  trans-69.9130.3175.2-64.5178.4000110.7V604 Y608V604-L606 PolarHBondContact O-N 2.79Å; L606-Y608 PolarHBondContact O-N 3.37Å; L606-Y608 VanDerWaalsContact O-N 3.13Å
607P34.8Very low35.3Very low119 Ų119153.7 Ų153.777%0.77380%0.798SS**  trans-73.8107.8-17828.3-33.9000111.4K609P607-K609 PolarHBondContact O-N 3.29Å; P607-K609 VanDerWaalsContact O-N 3.16Å
608Y28.6Very low35.1Very low231 Ų231150.2 Ų150.291%0.90679%0.794SS**  trans-57.5115.9171.2-95.3-97.2000111.1L606 N610L606-Y608 PolarHBondContact O-N 3.37Å; L606-Y608 VanDerWaalsContact O-N 3.13Å; Y608-N610 PolarHBondContact O-N 3.02Å; Y608-N610 VanDerWaalsContact O-N 3.1Å
609K32.4Very low35Very low197 Ų197149.7 Ų149.786%0.85779%0.793SS**  trans-75.497.1170.7-74.3-178178.1174.70109.7P607 I611P607-K609 PolarHBondContact O-N 3.29Å; P607-K609 VanDerWaalsContact O-N 3.16Å; K609-I611 PolarHBondContact O-N 3.02Å; K609-I611 VanDerWaalsContact O-N 3.13Å
610N27.2Very low34.9Very low133 Ų133145.7 Ų145.771%0.71178%0.784SS**  trans-67.7104.7171.5-175.9-13.6000110.3Y608 N612Y608-N610 PolarHBondContact O-N 3.02Å; Y608-N610 VanDerWaalsContact O-N 3.1Å; N610-N612 PolarHBondContact O-N 3.46Å; N610-N612 WeakPolarHBondContact OD1-CB 3.29Å; N610-N612 PolarHBondContact OD1-N 3.22Å
611I33.5Very low35.3Very low145 Ų145148.5 Ų148.574%0.74479%0.79SS**  trans-89.980173-52178.2000108.1K609 S613K609-I611 PolarHBondContact O-N 3.02Å; K609-I611 VanDerWaalsContact O-N 3.13Å; I611-S613 VanDerWaalsContact C-N 3.26Å; I611-S613 PolarHBondContact O-N 3.29Å
612N29.5Very low35.3Very low146 Ų146147.2 Ų147.278%0.78178%0.781SS**  trans-79.272.5-177.2-151.932000111N610N610-N612 PolarHBondContact O-N 3.46Å; N610-N612 WeakPolarHBondContact OD1-CB 3.29Å; N610-N612 PolarHBondContact OD1-N 3.22Å
613S32.4Very low35.8Very low91 Ų91147.3 Ų147.364%0.63678%0.784SS**  trans-86.8115.3176.754.30000111.3I611 S615I611-S613 VanDerWaalsContact C-N 3.26Å; I611-S613 PolarHBondContact O-N 3.29Å; S613-S615 PolarHBondContact O-N 2.85Å
614Q35.2Very low36.3Very low203 Ų203148 Ų14895%0.94978%0.78SS**  trans-65.9123.1165.9-67.3176.3-27.900109.3
615S31.6Very low37.2Very low112 Ų112145.2 Ų145.278%0.78378%0.777SS**  trans-116.1136.1167.560.40000109.7S613S613-S615 PolarHBondContact O-N 2.85Å
616E33.7Very low37.9Very low184 Ų184149.5 Ų149.586%0.8678%0.781SS**  trans-73.4161.4-172.9-65.2169.8121.300113.4C618E616-C618 PolarHBondContact O-N 3.33Å
617E40.8Very low39Very low180 Ų180149.1 Ų149.184%0.84179%0.785SS**  trans-73.579-168.1-169.3173.4-138.600113.4N619E617-N619 PolarHBondContact O-N 2.83Å
618C30.9Very low40.8Very low116 Ų116147.7 Ų147.778%0.78477%0.774SS**  trans-82.893.1178-72.90000112.4E616 S620E616-C618 PolarHBondContact O-N 3.33Å; C618-S620 PolarHBondContact O-N 3.18Å; C618-S620 VanDerWaalsContact O-N 3.13Å
619N39.4Very low43Very low151 Ų151140.6 Ų140.681%0.80776%0.757SS**  trans-69.4101168.2-83-87.6000111.1E617E617-N619 PolarHBondContact O-N 2.83Å
620S35.5Very low45.2Very low88 Ų88138.8 Ų138.862%0.61575%0.75SS**  trans-125.3110.4166.861.10000110.8C618 I622C618-S620 PolarHBondContact O-N 3.18Å; C618-S620 VanDerWaalsContact O-N 3.13Å; S620-I622 PolarHBondContact O-N 3.31Å; S620-I622 VanDerWaalsContact O-N 3.13Å
621Y46.7Very low48Very low203 Ų203136.3 Ų136.380%0.79674%0.743SS**  trans-64.5106.4176.2-175.2-89.2000110.1E623Y621-E623 HydrophobicContact CE1-CB 4.15Å; Y621-E623 PolarHBondContact OH-OE2 3.22Å
622I41.6Very low50.3Low143 Ų143133.8 Ų133.873%0.73373%0.728SS**  trans-128103.8169.4-60.6-179.1000107.2S620 D624S620-I622 PolarHBondContact O-N 3.31Å; S620-I622 VanDerWaalsContact O-N 3.13Å; I622-D624 PolarHBondContact O-N 3.25Å
623E48.8Very low52.8Low147 Ų147129 Ų12969%0.68771%0.709SS**  trans-8986.3174.1-178.2173.7-175.400108.6Y621Y621-E623 HydrophobicContact CE1-CB 4.15Å; Y621-E623 PolarHBondContact OH-OE2 3.22Å
624D49Very low55.4Low150 Ų150129 Ų12980%0.80270%0.701SS**SBendtrans-173.1142153.1-110.3-31.7000111.6I622 Q626I622-D624 PolarHBondContact O-N 3.25Å; D624-Q626 PolarHBondContact O-N 3.23Å
625G54.6Low57.9Low68 Ų68122.5 Ų122.570%0.70168%0.675SS**  trans63.938.1160.600000118.4T627G625-T627 PolarHBondContact O-N 3.26Å
626Q52.9Low60.2Low185 Ų185119.6 Ų119.686%0.86465%0.651SS**  trans-72.884.8-175.3-161.8166.937.500113.8D624 V628D624-Q626 PolarHBondContact O-N 3.23Å; Q626-V628 PolarHBondContact O-N 3.37Å
627T60.6Low62.5Low139 Ų139118.5 Ų118.585%0.85364%0.64SS**  trans-70.295.2175.9560000111.7G625 C629G625-T627 PolarHBondContact O-N 3.26Å; T627-C629 PolarHBondContact O-N 3.08Å
628V71.8Confident64.3Low90 Ų90113 Ų11355%0.54562%0.619SS.*  trans-70.6123.4176.4-171.40000110.1Q626 Q632 A633Q626-V628 PolarHBondContact O-N 3.37Å; V628-Q632 HydrophobicContact CG1-CB 4Å; V628-Q632 HydrophobicContact CG1-CG 4.15Å; V628-A633 HydrophobicContact CG1-CB 3.94Å
629C75.3Confident66.5Low81 Ų81112.2 Ų112.255%0.54760%0.602SS.*  trans-62.5138.1172.8-179.80000110.4T627 S631 Q632 A633T627-C629 PolarHBondContact O-N 3.08Å; C629-S631 PolarHBondContact O-N 3.14Å; C629-S631 VanDerWaalsContact O-N 3.13Å; C629-Q632 WeakPolarHBondContact O-CA 3.49Å; C629-Q632 WeakPolarHBondContact O-CB 3.44Å; C629-Q632 PolarHBondContact O-N 3Å; C629-A633 PolarHBondContact O-N 3.42Å
630F77.8Confident68.1Low160 Ų160110.8 Ų110.870%0.70259%0.59SS**Hα-helixtrans-50.9-41.3-177.9-177.4-95.2000112.9Q632 A633 L634F630-Q632 VanDerWaalsContact C-N 3.3Å; F630-Q632 PolarHBondContact O-N 3.17Å; F630-A633 PolarHBondContact O-N 3.31Å; F630-L634 HydrophobicContact CE1-CD2 4.24Å; F630-L634 WeakPolarHBondContact O-CB 3.36Å; F630-L634 PolarHBondContact O-N 3Å
631S86.3Confident69.8Low81 Ų81109 Ų10957%0.56658%0.576SS**Hα-helixtrans-59.4-37.9176.3-45.40000113C629 V635C629-S631 PolarHBondContact O-N 3.14Å; C629-S631 VanDerWaalsContact O-N 3.13Å; S631-V635 WeakPolarHBondContact O-CB 3.4Å; S631-V635 WeakPolarHBondContact O-CG2 3.29Å; S631-V635 PolarHBondContact O-N 3.46Å; S631-V635 VanDerWaalsContact O-N 3.13Å
632Q81.8Confident70.8Confident91 Ų91105.7 Ų105.743%0.42557%0.567SS.*Hα-helixtrans-73.4-45.9177.9-173.96441.600110.7V628 C629 F630 L634 V635 D636V628-Q632 HydrophobicContact CG1-CB 4Å; V628-Q632 HydrophobicContact CG1-CG 4.15Å; C629-Q632 WeakPolarHBondContact O-CA 3.49Å; C629-Q632 WeakPolarHBondContact O-CB 3.44Å; C629-Q632 PolarHBondContact O-N 3Å; F630-Q632 VanDerWaalsContact C-N 3.3Å; F630-Q632 PolarHBondContact O-N 3.17Å; Q632-L634 VanDerWaalsContact C-N 3.3Å; Q632-L634 PolarHBondContact O-N 3.01Å; Q632-V635 PolarHBondContact O-N 2.93Å; Q632-D636 VanDerWaalsContact NE2-CG 3.35Å; Q632-D636 PolarHBondContact NE2-OD1 3.07Å; Q632-D636 PolarHBondContact NE2-OD2 3.17Å; Q632-D636 PolarHBondContact O-N 2.97Å
633A83Confident72Confident47 Ų47104.1 Ų104.139%0.38856%0.56SS.*Hα-helixtrans-58.7-40.7177.200000112.2V628 C629 F630 D636 Y637V628-A633 HydrophobicContact CG1-CB 3.94Å; C629-A633 PolarHBondContact O-N 3.42Å; F630-A633 PolarHBondContact O-N 3.31Å; A633-D636 PolarHBondContact O-N 2.97Å; A633-Y637 VanDerWaalsContact O-CB 3.26Å; A633-Y637 WeakPolarHBondContact O-CB 3.48Å; A633-Y637 PolarHBondContact O-N 3.27Å
634L87.1Confident72.7Confident90 Ų90102.9 Ų102.947%0.47156%0.557SS.*Hα-helixtrans-68.5-40.1176.2-176.462.4000112.6F630 Q632 T638F630-L634 HydrophobicContact CE1-CD2 4.24Å; F630-L634 WeakPolarHBondContact O-CB 3.36Å; F630-L634 PolarHBondContact O-N 3Å; Q632-L634 VanDerWaalsContact C-N 3.3Å; Q632-L634 PolarHBondContact O-N 3.01Å; L634-T638 WeakPolarHBondContact O-CB 3.19Å; L634-T638 WeakPolarHBondContact O-CG2 3.45Å; L634-T638 PolarHBondContact O-N 3.28Å; L634-T638 PolarHBondContact O-OG1 2.92Å
635V86.9Confident73.2Confident67 Ų6799.8 Ų99.841%0.40655%0.547SS..Hα-helixtrans-65.6-37.5175.3161.70000111.6S631 Q632 T638 K639S631-V635 WeakPolarHBondContact O-CB 3.4Å; S631-V635 WeakPolarHBondContact O-CG2 3.29Å; S631-V635 PolarHBondContact O-N 3.46Å; S631-V635 VanDerWaalsContact O-N 3.13Å; Q632-V635 PolarHBondContact O-N 2.93Å; V635-T638 WeakPolarHBondContact CA-OG1 3.48Å; V635-T638 PolarHBondContact O-OG1 3.23Å; V635-K639 VanDerWaalsContact CG1-CE 3.47Å; V635-K639 VanDerWaalsContact O-CG 3.27Å; V635-K639 WeakPolarHBondContact O-CG 3.5Å; V635-K639 PolarHBondContact O-N 3.49Å
636D80.1Confident73.4Confident50 Ų50103.7 Ų103.727%0.26754%0.544SS..Hα-helixtrans-79.2-37178.2-65.6-30.4000112.1Q632 A633 T638 K639 H640Q632-D636 VanDerWaalsContact NE2-CG 3.35Å; Q632-D636 PolarHBondContact NE2-OD1 3.07Å; Q632-D636 PolarHBondContact NE2-OD2 3.17Å; Q632-D636 PolarHBondContact O-N 2.97Å; A633-D636 PolarHBondContact O-N 2.97Å; D636-T638 VanDerWaalsContact C-N 3.34Å; D636-T638 PolarHBondContact O-N 3.48Å; D636-K639 PolarHBondContact O-N 3.13Å; D636-K639 IonicContact OD1-NZ 2.67Å; D636-K639 PolarHBondContact OD1-NZ 3.35Å; D636-H640 PolarHBondContact O-CD2 3.15Å; D636-H640 PolarHBondContact O-N 2.74Å
637Y81.3Confident73.8Confident162 Ų162100.1 Ų100.164%0.63553%0.53SS*.Hα-helixtrans-56.7-46.4169.7178.6-97.8000111.9A633 H640 T641A633-Y637 VanDerWaalsContact O-CB 3.26Å; A633-Y637 WeakPolarHBondContact O-CB 3.48Å; A633-Y637 PolarHBondContact O-N 3.27Å; Y637-H640 PolarHBondContact O-N 3.12Å; Y637-T641 WeakPolarHBondContact O-CB 3.29Å; Y637-T641 PolarHBondContact O-N 3.32Å; Y637-T641 PolarHBondContact O-OG1 3.18Å
638T78.1Confident73.5Confident64 Ų6495.2 Ų95.239%0.39351%0.508SS..Hα-helixtrans-67.2-36.1179.247.50000112.7L634 V635 D636 Q642L634-T638 WeakPolarHBondContact O-CB 3.19Å; L634-T638 WeakPolarHBondContact O-CG2 3.45Å; L634-T638 PolarHBondContact O-N 3.28Å; L634-T638 PolarHBondContact O-OG1 2.92Å; V635-T638 WeakPolarHBondContact CA-OG1 3.48Å; V635-T638 PolarHBondContact O-OG1 3.23Å; D636-T638 VanDerWaalsContact C-N 3.34Å; D636-T638 PolarHBondContact O-N 3.48Å; T638-Q642 WeakPolarHBondContact O-CG 3.48Å; T638-Q642 PolarHBondContact O-N 3.07Å
639K78.5Confident72.5Confident100 Ų10095 Ų9544%0.43551%0.51SS..Hα-helixtrans-60.8-49.1169.2-70167-162.21630112.1V635 D636 T641 Q642 L643V635-K639 VanDerWaalsContact CG1-CE 3.47Å; V635-K639 VanDerWaalsContact O-CG 3.27Å; V635-K639 WeakPolarHBondContact O-CG 3.5Å; V635-K639 PolarHBondContact O-N 3.49Å; D636-K639 PolarHBondContact O-N 3.13Å; D636-K639 IonicContact OD1-NZ 2.67Å; D636-K639 PolarHBondContact OD1-NZ 3.35Å; K639-T641 VanDerWaalsContact C-N 3.33Å; K639-T641 PolarHBondContact O-N 2.73Å; K639-Q642 PolarHBondContact O-N 2.98Å; K639-L643 WeakPolarHBondContact O-CG 2.93Å; K639-L643 PolarHBondContact O-N 3.01Å
640H72Confident71.4Confident121 Ų12198.9 Ų98.956%0.5652%0.52SS*.Hα-helixtrans-64.7-37.2-179.8-79.6-68.2000112.2D636 Y637 L643 L644D636-H640 PolarHBondContact O-CD2 3.15Å; D636-H640 PolarHBondContact O-N 2.74Å; Y637-H640 PolarHBondContact O-N 3.12Å; H640-L643 PolarHBondContact O-N 3.22Å; H640-L644 PolarHBondContact O-N 3.35Å
641T70.8Confident70.1Confident50 Ų5095.6 Ų95.631%0.30751%0.513SS..Hα-helixtrans-62.4-44.6172.7-52.50000111.1Y637 K639 L643 L644 C645Y637-T641 WeakPolarHBondContact O-CB 3.29Å; Y637-T641 PolarHBondContact O-N 3.32Å; Y637-T641 PolarHBondContact O-OG1 3.18Å; K639-T641 VanDerWaalsContact C-N 3.33Å; K639-T641 PolarHBondContact O-N 2.73Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 2.84Å; T641-L644 WeakPolarHBondContact O-CB 3.47Å; T641-L644 PolarHBondContact O-N 3.49Å; T641-C645 PolarHBondContact O-N 3.49Å; T641-C645 PolarHBondContact O-SG 3.06Å
642Q67.9Low68.4Low133 Ų13398.2 Ų98.262%0.62152%0.521SS*.Hα-helixtrans-64.6-31.5176.5-73.417815.700113.4T638 K639 K646T638-Q642 WeakPolarHBondContact O-CG 3.48Å; T638-Q642 PolarHBondContact O-N 3.07Å; K639-Q642 PolarHBondContact O-N 2.98Å; Q642-K646 WeakPolarHBondContact O-CG 3.48Å; Q642-K646 PolarHBondContact O-N 3.12Å; Q642-K646 VanDerWaalsContact O-N 3.13Å
643L66.9Low66.9Low110 Ų110101.4 Ų101.458%0.57654%0.541SS*.Hα-helixtrans-70.1-40.6172.6-70.3170000111.8K639 H640 T641 K646 L647K639-L643 WeakPolarHBondContact O-CG 2.93Å; K639-L643 PolarHBondContact O-N 3.01Å; H640-L643 PolarHBondContact O-N 3.22Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 2.84Å; L643-K646 PolarHBondContact O-N 3.45Å; L643-L647 PolarHBondContact O-N 2.99Å
644L63.3Low65.2Low121 Ų121106.6 Ų106.663%0.63456%0.561SS**Hα-helixtrans-62.6-44172.9-84.6158000112.2H640 T641 K646 L647 G648H640-L644 PolarHBondContact O-N 3.35Å; T641-L644 WeakPolarHBondContact O-CB 3.47Å; T641-L644 PolarHBondContact O-N 3.49Å; L644-K646 VanDerWaalsContact C-N 3.32Å; L644-K646 PolarHBondContact O-N 2.82Å; L644-L647 PolarHBondContact O-N 3.46Å; L644-G648 PolarHBondContact O-N 3.41Å
645C61Low63.5Low86 Ų86109.4 Ų109.458%0.58157%0.572SS**Hα-helixtrans-60.5-39.9175-67.50000112.4T641 G648 S649T641-C645 PolarHBondContact O-N 3.49Å; T641-C645 PolarHBondContact O-SG 3.06Å; C645-G648 PolarHBondContact O-N 3.4Å; C645-S649 PolarHBondContact O-N 3.14Å; C645-S649 VanDerWaalsContact O-N 3.17Å
646K58.1Low61.7Low149 Ų149117.7 Ų117.765%0.64860%0.596SS**Hα-helixtrans-64.9-42.9174.5-79.2-178.9175.3-177.90112.4Q642 L643 L644 G648 S649Q642-K646 WeakPolarHBondContact O-CG 3.48Å; Q642-K646 PolarHBondContact O-N 3.12Å; Q642-K646 VanDerWaalsContact O-N 3.13Å; L643-K646 PolarHBondContact O-N 3.45Å; L644-K646 VanDerWaalsContact C-N 3.32Å; L644-K646 PolarHBondContact O-N 2.82Å; K646-G648 VanDerWaalsContact C-N 3.33Å; K646-G648 PolarHBondContact O-N 3.39Å; K646-S649 PolarHBondContact O-N 3.29Å; K646-S649 PolarHBondContact O-OG 3.23Å
647L60.8Low59.9Low110 Ų110120.5 Ų120.558%0.57662%0.619SS**Hα-helixtrans-66.4-35.9178.6-166.566.2000111.9L643 L644 E650L643-L647 PolarHBondContact O-N 2.99Å; L644-L647 PolarHBondContact O-N 3.46Å; L647-E650 PolarHBondContact O-N 3.24Å
648G55.2Low57.9Low37 Ų37117.5 Ų117.538%0.38162%0.622SS.*Hα-helixtrans-60.1-45.4171.800000112.7L644 C645 K646 E650 V651 D652L644-G648 PolarHBondContact O-N 3.41Å; C645-G648 PolarHBondContact O-N 3.4Å; K646-G648 VanDerWaalsContact C-N 3.33Å; K646-G648 PolarHBondContact O-N 3.39Å; G648-E650 PolarHBondContact O-N 2.52Å; G648-V651 PolarHBondContact O-N 3.29Å; G648-D652 PolarHBondContact O-N 3.01Å
649S51Low56.5Low85 Ų85119 Ų11959%0.59464%0.641SS**THydrogen-bonded Turntrans-66.3-8.4-18064.20000115.5C645 K646C645-S649 PolarHBondContact O-N 3.14Å; C645-S649 VanDerWaalsContact O-N 3.17Å; K646-S649 PolarHBondContact O-N 3.29Å; K646-S649 PolarHBondContact O-OG 3.23Å
650E50.9Low54.7Low163 Ų163122.6 Ų122.676%0.76266%0.657SS**THydrogen-bonded Turntrans-94.8-8.2173.3-162.6169.8-18000112.5L647 G648L647-E650 PolarHBondContact O-N 3.24Å; G648-E650 PolarHBondContact O-N 2.52Å
651V51.9Low53.4Low90 Ų90122.1 Ų122.155%0.54566%0.662SS.*THydrogen-bonded Turntrans-106.2-20.7-176.5-179.80000113G648 D653 L654G648-V651 PolarHBondContact O-N 3.29Å; V651-D653 PolarHBondContact O-N 3.48Å; V651-L654 PolarHBondContact O-N 3.26Å; V651-L654 VanDerWaalsContact O-N 3.12Å
652D49.2Very low52.5Low137 Ų137125.7 Ų125.773%0.73369%0.689SS**THydrogen-bonded Turntrans-56-19.6-178.7-85.9-36.8000115.1G648 L654G648-D652 PolarHBondContact O-N 3.01Å; D652-L654 VanDerWaalsContact C-N 3.34Å; D652-L654 PolarHBondContact O-N 2.95Å
653D50Low51.5Low157 Ų157126.1 Ų126.184%0.8470%0.696SS**THydrogen-bonded Turntrans-85.52.7-179.6-154.635.7000114.1V651V651-D653 PolarHBondContact O-N 3.48Å
654L48.5Very low50.9Low157 Ų157129.1 Ų129.182%0.82271%0.709SS**THydrogen-bonded Turntrans-127.4-4.4-178.5-157.958.7000116.7V651 D652 R656V651-L654 PolarHBondContact O-N 3.26Å; V651-L654 VanDerWaalsContact O-N 3.12Å; D652-L654 VanDerWaalsContact C-N 3.34Å; D652-L654 PolarHBondContact O-N 2.95Å; L654-R656 PolarHBondContact O-N 3.3Å
655E50.9Low50.9Low149 Ų149132.2 Ų132.270%0.69672%0.72SS**  trans-93.518.7177.9-151.1167.3-147.400114.7S657E655-S657 PolarHBondContact O-N 3.1Å
656R48.4Very low51Low241 Ų241132.6 Ų132.691%0.90973%0.73SS**SBendtrans-76.323.7179.4-137.8-177.8-160.899.73.3115.5L654L654-R656 PolarHBondContact O-N 3.3Å
657S43.5Very low51.1Low108 Ų108132.6 Ų132.676%0.75574%0.736SS**  trans-162.191.6171.163.10000115.3E655E655-S657 PolarHBondContact O-N 3.1Å
658S38.5Very low51.3Low100 Ų100132.6 Ų132.670%0.69974%0.743SS**  trans-164.8147.2141.6-165.70000111F660S658-F660 PolarHBondContact O-N 3.43Å
659A48.3Very low51.5Low95 Ų95137.3 Ų137.379%0.78576%0.764SS**  trans-84.8101.1175.800000110.4
660F41.4Very low52.5Low176 Ų176140.1 Ų140.177%0.77277%0.771SS**  trans-72.8143.5168.1-86.5-82000111.3S658S658-F660 PolarHBondContact O-N 3.43Å
661T45.5Very low53.2Low110 Ų110137.1 Ų137.168%0.67576%0.764SS**  trans-82.3150.9-162.649.30000113.3N663T661-N663 PolarHBondContact O-N 3.17Å
662S50.7Low54Low125 Ų125138.4 Ų138.487%0.87477%0.772SS**SBendtrans-7454.1176.162.40000113
663N48.1Very low54.8Low142 Ų142140.1 Ų140.176%0.75977%0.773SS**  trans-128.258.6177.6-86.3-23.3000110.3T661 E665T661-N663 PolarHBondContact O-N 3.17Å; N663-E665 PolarHBondContact O-N 3.16Å
664M53.8Low55.9Low174 Ų174139.8 Ų139.886%0.85777%0.772SS**  trans-85.697.5154.6-66.4-14580.500107.8A666M664-A666 PolarHBondContact O-N 3.4Å
665E63Low57Low185 Ų185139 Ų13986%0.86477%0.773SS**PPolyproline II helixtrans-63.4127.4166.9-166162.2-13700107.9N663 L667N663-E665 PolarHBondContact O-N 3.16Å; E665-L667 PolarHBondContact O-N 3.1Å
666A62.2Low58Low94 Ų94137.2 Ų137.278%0.77777%0.772SS**PPolyproline II helixtrans-62.7124.2-167.600000110.9M664M664-A666 PolarHBondContact O-N 3.4Å
667L61.3Low59.1Low149 Ų149131.1 Ų131.178%0.7876%0.757SS**PPolyproline II helixtrans-57.3135.4-179.1-66.4177.2000110.3E665E665-L667 PolarHBondContact O-N 3.1Å
668P64.2Low60.4Low111 Ų111132 Ų13272%0.72175%0.753SS**PPolyproline II helixtrans-61142.4179.526-34.3000110.4I670P668-I670 PolarHBondContact O-N 3.15Å; P668-I670 VanDerWaalsContact O-N 3.12Å
669T61Low61.5Low135 Ų135137.9 Ų137.983%0.82876%0.76SS**PPolyproline II helixtrans-55.8117.6-173.9-44.80000111.1V671T669-V671 PolarHBondContact O-N 3.37Å; T669-V671 VanDerWaalsContact O-N 3.15Å
670I70.9Confident61.9Low145 Ų145139.4 Ų139.474%0.74476%0.755SS**  trans-68113.4179.5-60.7172.8000108.3P668 T672P668-I670 PolarHBondContact O-N 3.15Å; P668-I670 VanDerWaalsContact O-N 3.12Å; I670-T672 HydrophobicContact CG2-CG2 4.34Å; I670-T672 PolarHBondContact O-N 2.86Å
671V66.8Low62.8Low100 Ų100139.1 Ų139.161%0.60676%0.756SS**  trans-83.699.6171.3-178.10000108T669 F673T669-V671 PolarHBondContact O-N 3.37Å; T669-V671 VanDerWaalsContact O-N 3.15Å; V671-F673 HydrophobicContact CB-CE2 4.22Å; V671-F673 HydrophobicContact CB-CZ 4.46Å; V671-F673 HydrophobicContact CG1-CD2 4.23Å; V671-F673 HydrophobicContact CG1-CE1 4.05Å; V671-F673 HydrophobicContact CG1-CE2 3.71Å; V671-F673 HydrophobicContact CG1-CZ 3.61Å
672T68.3Low63.4Low117 Ų117137.1 Ų137.172%0.71876%0.757SS**PPolyproline II helixtrans-73125.316848.50000109.4I670I670-T672 HydrophobicContact CG2-CG2 4.34Å; I670-T672 PolarHBondContact O-N 2.86Å
673F65.9Low63.6Low172 Ų172139.2 Ų139.275%0.75475%0.753SS**PPolyproline II helixtrans-102.9120.6169.7-64.3-86.3000108.6V671 V675V671-F673 HydrophobicContact CB-CE2 4.22Å; V671-F673 HydrophobicContact CB-CZ 4.46Å; V671-F673 HydrophobicContact CG1-CD2 4.23Å; V671-F673 HydrophobicContact CG1-CE1 4.05Å; V671-F673 HydrophobicContact CG1-CE2 3.71Å; V671-F673 HydrophobicContact CG1-CZ 3.61Å; F673-V675 PolarHBondContact O-N 3.19Å
674D73.1Confident63.9Low151 Ų151141.4 Ų141.481%0.80775%0.752SS**PPolyproline II helixtrans-68.5116.6172.9-67.5-40.6000109.8V676D674-V676 PolarHBondContact O-N 3.21Å
675V72.1Confident63.9Low139 Ų139141 Ų14184%0.84275%0.754SS**  trans-84.593174.6-178.20000108.2F673 D677F673-V675 PolarHBondContact O-N 3.19Å; V675-D677 PolarHBondContact O-N 3.34Å
676V71.3Confident63.5Low113 Ų113140.4 Ų140.469%0.68575%0.75SS**  trans-68120.3170.9-1790000108.8D674 L678D674-V676 PolarHBondContact O-N 3.21Å; V676-L678 PolarHBondContact O-N 3.24Å
677D71.8Confident63Low112 Ų112142.9 Ų142.960%0.59975%0.746SS**  trans-78.3106.3175.9-168.3-0.9000110.6V675 R679V675-D677 PolarHBondContact O-N 3.34Å; D677-R679 PolarHBondContact O-N 3.4Å; D677-R679 VanDerWaalsContact O-N 3.15Å; D677-R679 VanDerWaalsContact OD1-CB 3.29Å; D677-R679 WeakPolarHBondContact OD1-CB 3.18Å; D677-R679 WeakPolarHBondContact OD1-CD 3.48Å; D677-R679 WeakPolarHBondContact OD1-CG 3.45Å; D677-R679 PolarHBondContact OD1-N 3.26Å
678L70.2Confident62.5Low126 Ų126142.7 Ų142.766%0.6674%0.744SS**G310 helixtrans-76.812-178.8-70.3164.8000113.7V676 N680V676-L678 PolarHBondContact O-N 3.24Å; L678-N680 VanDerWaalsContact C-N 3.33Å; L678-N680 PolarHBondContact O-N 3.22Å
679R60.8Low61.4Low224 Ų224144.9 Ų144.985%0.84575%0.745SS**G310 helixtrans-79.5-3.4-176.6-74.8173.3171.6-117.3-4.9115.7D677D677-R679 PolarHBondContact O-N 3.4Å; D677-R679 VanDerWaalsContact O-N 3.15Å; D677-R679 VanDerWaalsContact OD1-CB 3.29Å; D677-R679 WeakPolarHBondContact OD1-CB 3.18Å; D677-R679 WeakPolarHBondContact OD1-CD 3.48Å; D677-R679 WeakPolarHBondContact OD1-CG 3.45Å; D677-R679 PolarHBondContact OD1-N 3.26Å
680N58.4Low60.7Low127 Ų127145.9 Ų145.968%0.67974%0.742SS**G310 helixtrans-101.62.9-177.3-149.698.6000114.5L678 G682L678-N680 VanDerWaalsContact C-N 3.33Å; L678-N680 PolarHBondContact O-N 3.22Å; N680-G682 PolarHBondContact O-N 3.02Å
681E58.9Low59.2Low171 Ų171146.4 Ų146.480%0.79974%0.741SS**THydrogen-bonded Turntrans-7934.4-175.7-59.3-76.9145.700113.3
682G58.2Low58.4Low68 Ų68147.8 Ų147.870%0.70174%0.744SS**THydrogen-bonded Turntrans-136-10.5-161.900000119.4N680N680-G682 PolarHBondContact O-N 3.02Å
683E55.3Low57.3Low168 Ų168150.4 Ų150.479%0.78575%0.749SS**SBendtrans-12744.2-168.3-64.5-169.2154.200114.5
684Y54.7Low56.5Low188 Ų188149.1 Ų149.174%0.73775%0.745SS**  trans-141.226.6178.9-81.8-62.8000116.7
685D54.6Low55Low167 Ų167149 Ų14989%0.89374%0.744SS**SBendtrans-97.8-7.5176.6-96.4-19.8000114.7
686E53.6Low53.9Low171 Ų171148.9 Ų148.980%0.79974%0.743SS**SBendtrans-102.2-17.1-170.6-62.7-162.5176.800115.6I688E686-I688 PolarHBondContact O-N 3.06Å
687Q53Low52.7Low146 Ų146148.1 Ų148.168%0.68274%0.743SS**SBendtrans-85.44.1-175.6-7571.528.300115.5
688I50.7Low51Low146 Ų146148.3 Ų148.375%0.74975%0.753SS**  trans-104.639.2178.6-34.8-177000112.2E686 M690E686-I688 PolarHBondContact O-N 3.06Å; I688-M690 PolarHBondContact O-N 3.11Å; I688-M690 VanDerWaalsContact O-N 3.17Å
689H40.5Very low49.8Very low156 Ų156148 Ų14872%0.72276%0.759SS**  trans-79.787.7163.7-172.4-83.9000109.6E691H689-E691 PolarHBondContact O-N 3.27Å
690M45.1Very low48.7Very low157 Ų157147.2 Ų147.277%0.77376%0.757SS**  trans-59.7108.5170.3-88179.757.200110I688 L692I688-M690 PolarHBondContact O-N 3.11Å; I688-M690 VanDerWaalsContact O-N 3.17Å; M690-L692 PolarHBondContact O-N 3.45Å
691E41.3Very low47.9Very low155 Ų155149.5 Ų149.572%0.72476%0.764SS**  trans-74.390.4176.4-162.9158.4-12900109.7H689 E693H689-E691 PolarHBondContact O-N 3.27Å; E691-E693 VanDerWaalsContact C-N 3.28Å; E691-E693 HydrophobicContact CG-CG 4.22Å; E691-E693 PolarHBondContact O-N 3.19Å
692L48.9Very low47.3Very low129 Ų129147.5 Ų147.568%0.67575%0.754SS**  trans-80.473.7-179.9-17174.8000110.6M690 E694M690-L692 PolarHBondContact O-N 3.45Å; L692-E694 HydrophobicContact CD1-CG 4.17Å; L692-E694 HydrophobicContact CD2-CG 4.36Å; L692-E694 HydrophobicContact CG-CG 4.07Å; L692-E694 PolarHBondContact O-N 3.35Å
693E44.8Very low46.2Very low173 Ų173153 Ų15381%0.80876%0.759SS**  trans-73.473.2164.8-62.2-151.9128.600110.3E691 D695E691-E693 VanDerWaalsContact C-N 3.28Å; E691-E693 HydrophobicContact CG-CG 4.22Å; E691-E693 PolarHBondContact O-N 3.19Å; E693-D695 PolarHBondContact O-N 3.25Å
694E50.5Low45.9Very low145 Ų145153.3 Ų153.368%0.67876%0.761SS**  trans-69.3109.6165.7-91.5-169.4142.200109.7L692 V696L692-E694 HydrophobicContact CD1-CG 4.17Å; L692-E694 HydrophobicContact CD2-CG 4.36Å; L692-E694 HydrophobicContact CG-CG 4.07Å; L692-E694 PolarHBondContact O-N 3.35Å; E694-V696 WeakPolarHBondContact O-CG2 3.49Å; E694-V696 PolarHBondContact O-N 3.3Å
695D39.9Very low45.2Very low147 Ų147152.4 Ų152.479%0.78676%0.763SS**  trans-73.887.2178.7-162.5-7.8000111E693 S697E693-D695 PolarHBondContact O-N 3.25Å; D695-S697 VanDerWaalsContact C-N 3.31Å; D695-S697 PolarHBondContact O-N 3.06Å
696V49.2Very low44.4Very low137 Ų137149.4 Ų149.483%0.8376%0.756SS**  trans-75.270.4-168.7-164.20000113E694E694-V696 WeakPolarHBondContact O-CG2 3.49Å; E694-V696 PolarHBondContact O-N 3.3Å
697S46.5Very low44.2Very low98 Ų98152.6 Ų152.669%0.68576%0.762SS**  trans-144.365.6178.664.30000116.5D695D695-S697 VanDerWaalsContact C-N 3.31Å; D695-S697 PolarHBondContact O-N 3.06Å
698S35.7Very low44.2Very low115 Ų115153.8 Ų153.880%0.80477%0.772SS**  trans-145.1141.6165.4-1710000111.9
699P45.4Very low43.7Very low120 Ų120154.5 Ų154.578%0.77977%0.772SS**  trans-87.4145.9-157.132.6-36.5000116.7Q701P699-Q701 PolarHBondContact O-N 2.78Å
700Y38.3Very low43.8Very low208 Ų208155 Ų15582%0.81677%0.773SS**  trans-41.6120.6164.6-158.8-96.4000113.8E702Y700-E702 HydrophobicContact CD1-CB 4.49Å; Y700-E702 HydrophobicContact CE1-CB 4.2Å
701Q41.4Very low44Very low175 Ų175155.9 Ų155.982%0.81878%0.781SS**  trans-118.7112.1164.4-178.663.764.200108.9P699P699-Q701 PolarHBondContact O-N 2.78Å
702E46.7Very low44.5Very low128 Ų128151.4 Ų151.460%0.59877%0.77SS**  trans-73.4136.9-177-175.4172.1-126.900111.5Y700Y700-E702 HydrophobicContact CD1-CB 4.49Å; Y700-E702 HydrophobicContact CE1-CB 4.2Å
703F34.7Very low44.3Very low183 Ų183155.3 Ų155.380%0.80378%0.782SS**  trans-151.768.9165.7-131.8-75.8000111.8E705F703-E705 PolarHBondContact O-N 2.94Å
704E48.3Very low44.6Very low176 Ų176152.2 Ų152.282%0.82279%0.786SS**  trans-70.7105.2159.3-73.9-16015100109.5
705E39.3Very low44.6Very low168 Ų168154.1 Ų154.179%0.78580%0.795SS**  trans-156.5135.7151.4-123.9172.4-160.800114.3F703F703-E705 PolarHBondContact O-N 2.94Å
706S39.2Very low45Very low105 Ų105153.2 Ų153.273%0.73480%0.799SS**  trans68.139.8158.3-143.80000120.5L708S706-L708 VanDerWaalsContact C-N 3.31Å; S706-L708 PolarHBondContact O-N 3.47Å; S706-L708 VanDerWaalsContact O-N 3.1Å
707Y48.3Very low45Very low237 Ų237152.7 Ų152.793%0.92979%0.791SS**  trans-73.288.2146.6-104-88.9000109.4
708L52.8Low45.1Very low171 Ų171159 Ų15990%0.89580%0.802SS**  trans159.873.6151.3-88.5164.5000112.4S706S706-L708 VanDerWaalsContact C-N 3.31Å; S706-L708 PolarHBondContact O-N 3.47Å; S706-L708 VanDerWaalsContact O-N 3.1Å
709Q41.2Very low45.8Very low161 Ų161162.1 Ų162.175%0.75280%0.803SS**  trans-140.288.6160.8-165.6160.8-79.100115.4
710K42.8Very low46Very low167 Ų167163.2 Ų163.273%0.72680%0.8SS**  trans61.5118.1145.6-62.5174.8179.1172.90119.6A712K710-A712 HydrophobicContact CB-CB 4.11Å; K710-A712 PolarHBondContact O-N 3.05Å; K710-A712 VanDerWaalsContact O-N 3.1Å
711D49.8Very low46.5Very low176 Ų176160.1 Ų160.194%0.94180%0.797SS**  trans-50.9107141.6-45.1-90.5000110
712A50Low46.6Very low61 Ų61157.7 Ų157.750%0.50479%0.789SS.*  trans-155.20.3-177.100000116.8K710K710-A712 HydrophobicContact CB-CB 4.11Å; K710-A712 PolarHBondContact O-N 3.05Å; K710-A712 VanDerWaalsContact O-N 3.1Å
713F44.9Very low46.5Very low210 Ų210158.2 Ų158.292%0.92180%0.796SS**  trans-137.570.4-176.1-67.2-68.9000113.1
714A51.2Low47.2Very low109 Ų109159 Ų15990%0.90180%0.795SS**  trans-137.230.6171.100000112.1
715E51.3Low47Very low185 Ų185158.6 Ų158.686%0.86479%0.793SS**  trans-142.281.5-175.5-171.6170.4-135.300111.1
716C49Very low47.3Very low128 Ų128158.3 Ų158.387%0.86579%0.791SS**  trans-176.792.4158.8-109.40000110.7
717D48.3Very low47.6Very low125 Ų125159.5 Ų159.567%0.66879%0.789SS**  trans-1775.6137.4-113.1-10.3000115.3Q719D717-Q719 PolarHBondContact O-N 3.32Å
718Y49.2Very low47.6Very low231 Ų231155.7 Ų155.791%0.90678%0.784SS**THydrogen-bonded Turntrans-76.428.5176.4-81.6-81000115.3
719Q49.1Very low47.5Very low180 Ų180155.2 Ų155.284%0.84178%0.781SS**THydrogen-bonded Turntrans-125-2.5176.7-74-169.8-0.800115.2D717D717-Q719 PolarHBondContact O-N 3.32Å
720M49.9Very low47.5Very low143 Ų143151.5 Ų151.570%0.70477%0.773SS**SBendtrans-88.8-20.7-179.7-172.6157.950.900114.3
721L48.8Very low47.3Very low144 Ų144152.2 Ų152.275%0.75478%0.776SS**SBendtrans-87-39.1-175.5-77.9162000114.2L723 Y724L721-L723 PolarHBondContact O-N 3.36Å; L721-Y724 PolarHBondContact O-N 3.08Å
722D43.4Very low47.1Very low124 Ų124149.3 Ų149.366%0.66376%0.764SS**Hα-helixtrans-61.1-21.2-175.9-94-7.6000114.5
723L45.6Very low46.8Very low139 Ų139158.2 Ų158.273%0.72879%0.785SS**Hα-helixtrans-84.9-12.3-176.2-129.974.2000114.4L721L721-L723 PolarHBondContact O-N 3.36Å
724Y47.8Very low46.3Very low199 Ų199152.2 Ų152.278%0.7878%0.775SS**Hα-helixtrans-100-35.8-175.7-135.8-93.9000113.8L721 Q726L721-Y724 PolarHBondContact O-N 3.08Å; Y724-Q726 PolarHBondContact O-N 3.32Å
725E45.5Very low45.6Very low167 Ų167154.1 Ų154.178%0.7878%0.775SS**Hα-helixtrans-70.3-30.5179.7-65-148.5134.700113.4N727 L728E725-N727 PolarHBondContact O-N 3.3Å; E725-L728 PolarHBondContact O-N 2.62Å
726Q44.6Very low45Very low162 Ų162149.8 Ų149.876%0.75777%0.77SS**THydrogen-bonded Turntrans-63.1-12.4-178.2-71.5-165.32.800115Y724Y724-Q726 PolarHBondContact O-N 3.32Å
727N46.3Very low44.5Very low130 Ų130149.6 Ų149.670%0.69577%0.771SS**THydrogen-bonded Turntrans-98.1-6.9-178.4-81.5-74.2000115.2E725E725-N727 PolarHBondContact O-N 3.3Å
728L48.9Very low44.4Very low157 Ų157151.5 Ų151.582%0.82278%0.78SS**SBendtrans-94.50.7-175.1-126.170.9000115.4E725E725-L728 PolarHBondContact O-N 2.62Å
729I49.3Very low44.4Very low162 Ų162145.7 Ų145.783%0.83177%0.771SS**SBendtrans-11456.1-179-42.6-177.8000111.5
730S42.1Very low44.2Very low82 Ų82148.4 Ų148.457%0.57377%0.773SS**  trans-149.6140.4162.279.30000113.1
731K38.2Very low44Very low183 Ų183150.6 Ų150.680%0.79678%0.781SS**  trans66.794.9-179.8-52.2151.2-168.4162.50112.8
732T44.9Very low43.8Very low114 Ų114151.2 Ų151.270%0.69978%0.784SS**  57.4136.467.679.50000114.8
733W44.1Very low43.7Very low248 Ų248148.3 Ų148.394%0.93978%0.784SS**  trans86.5143.9179.5-52.314000113.4
734A35.3Very low43.6Very low85 Ų85149 Ų14970%0.70279%0.788SS**  cis160.8162.5-31.600000107.7
735V36.1Very low43.2Very low148 Ų148145.1 Ų145.190%0.89779%0.785SS**  trans75.1140.3170.4-1680000115.5
736A39.4Very low42.7Very low94 Ų94148.5 Ų148.578%0.77779%0.79SS**  trans-94.6163.9-17800000112.9
737S38.1Very low42.2Very low124 Ų124147.3 Ų147.387%0.86779%0.794SS**  trans-155.8153.5145.5560000113.1
738L45.9Very low41.6Very low165 Ų165146.4 Ų146.486%0.86480%0.798SS**  trans-79.3178.8-173.4-88.5162.9000113.3
739P49.3Very low41.1Very low110 Ų110147.4 Ų147.471%0.71480%0.798SS**  trans-86170-154.336.3-38000114.8
740R45.5Very low41Very low237 Ų237144.9 Ų144.989%0.89479%0.793SS**  trans-109.688.4174.6-75.6-177.1-79.1133.3-5.3112.4
741H44.5Very low40.8Very low188 Ų188146.3 Ų146.387%0.8780%0.798SS**  trans-82.5127.1142.4-85.5-82.3000107.9
742L44.7Very low40.7Very low157 Ų157142.7 Ų142.782%0.82280%0.796SS**  trans-148.5138.9164.1-96.6176000109.4
743G42.6Very low40.2Very low64 Ų64144.4 Ų144.466%0.6680%0.801SS**  trans-154.4147.317100000110.4
744L43.3Very low40.2Very low154 Ų154138 Ų13881%0.80679%0.791SS**  trans-148.5112170.2-79.6112.2000106.3
745T38.3Very low40.4Very low117 Ų117142.7 Ų142.772%0.71880%0.803SS**  76.9105.559.967.40000115.8
746R35.2Very low40.7Very low237 Ų237141 Ų14189%0.89480%0.798SS**  trans-170.8124.2130.4-99.9166.3-172.8-167.51.7108.1
747V35.3Very low40.7Very low137 Ų137144 Ų14483%0.8380%0.8SS**  63.3121.986.51750000110.6
748S33.1Very low40.7Very low111 Ų111144.5 Ų144.578%0.77679%0.793SS**  cis-142152.837.951.80000116.8
749Q38.8Very low40.9Very low178 Ų178148 Ų14883%0.83280%0.795SS**  trans-102.4154.6163.4-139.5179.216.200109.7
750P47.4Very low40.5Very low110 Ų110153.8 Ų153.871%0.71480%0.802SS**  -149.417898.540.1-23.8000113.4
751T37.2Very low40.4Very low112 Ų112148.1 Ų148.169%0.68780%0.799SS**  cis-166.1163.4-29.733.40000108.4
752S35.6Very low40.5Very low106 Ų106150.5 Ų150.574%0.74180%0.801SS**  trans74144.3164.182.50000118
753N33.8Very low40.3Very low151 Ų151148.4 Ų148.481%0.80780%0.799SS**  cis-154.7155.4-20.6-118.44.1000109.8
754P45.9Very low40.4Very low114 Ų114153 Ų15374%0.7481%0.808SS**  trans-84.3153.8179.534.6-34.6000112.8
755L39Very low40.3Very low182 Ų182153 Ų15395%0.95381%0.808SS**  trans-126.6143.4166.3-75.3177.5000111
756S40.9Very low40.6Very low112 Ų112154 Ų15478%0.78382%0.815SS**  trans-123.1137.3-173.755.10000111.5
757L41.5Very low40.9Very low159 Ų159150.8 Ų150.883%0.83282%0.815SS**  trans-169.7108.6163.3-95.1158.6000103.1
758D36.8Very low40.9Very low134 Ų134149.2 Ų149.272%0.71781%0.81SS**  cis51.498.445-160.58.2000114.3R760D758-R760 PolarHBondContact OD1-N 3.4Å
759R51.1Low41.4Very low239 Ų239151.4 Ų151.490%0.90281%0.812SS**  trans-142.182.4158.6-84.1-161.5161.5-175.1-6110.4
760R40.7Very low41.6Very low230 Ų230152.3 Ų152.387%0.86882%0.817SS**  trans-79.2129.7149-95.3-179.7165179.6-2.9110.1D758D758-R760 PolarHBondContact OD1-N 3.4Å
761S42.8Very low41.4Very low118 Ų118154.9 Ų154.983%0.82582%0.823SS**  trans-143.5127.3160.947.20000109.4
762R46.5Very low42.3Very low239 Ų239154.6 Ų154.690%0.90282%0.823SS**  trans-123.9128177.9-84.8174.9153.2178.9-10.2108.5
763S40.3Very low42.6Very low113 Ų113157.5 Ų157.579%0.7983%0.825SS**  trans162.4145.1159.654.90000107.5
764L44.4Very low43.2Very low161 Ų161156.1 Ų156.184%0.84382%0.822SS**  cis-129.1154.88.5-72.6165.8000111
765D41.6Very low43Very low153 Ų153165.1 Ų165.182%0.81884%0.844SS**  trans-86.9146.3152.7-53.9-68.3000108.9
766T45.2Very low43.2Very low139 Ų139164.3 Ų164.385%0.85384%0.838SS**  trans-171.9111.5131.942.30000109.9
767D39.9Very low43.3Very low168 Ų168167 Ų16790%0.89884%0.841SS**  trans-74.2138.7153.3-63.4-58.5000109.4
768S36.3Very low43.4Very low105 Ų105167.4 Ų167.473%0.73484%0.842SS**  trans177.8111.9139.8-179.10000111.9
769L44.5Very low43.8Very low156 Ų156169.4 Ų169.482%0.81785%0.849SS**  trans25122.3136.9-56.2168.6000119.5
770E41.6Very low43.3Very low198 Ų198165.1 Ų165.193%0.92585%0.846SS**  -157.9158.4115-110.6165.5-162.500111.6
771L43.6Very low43.5Very low163 Ų163160.7 Ų160.785%0.85384%0.844SS**  trans-113.4-175.6-178.6-71.4162.3000108.3
772P55.9Low43.5Very low106 Ų106163.8 Ų163.869%0.68885%0.846SS**  cis-135-135.92.835.9-10.9000112.3
773E42.2Very low43.3Very low168 Ų168158 Ų15879%0.78584%0.841SS**  trans75.7103170-57.7-172.3167.800115.9
774T46.4Very low43.5Very low121 Ų121161.8 Ų161.874%0.74285%0.845SS**  59.596.776.665.30000115.1
775Y41.1Very low43.5Very low303 Ų303161.8 Ų161.8100%1.18885%0.846SS**  -154.80107.4-113.1-72.3000111.2

Retrieved 775 of 775 residues in 266.5 ms (Link to these results)