X2JD14_DROME Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession X2JD14, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG15365, Length 828 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M40.3Very low43.3Very low241 Ų241137.4 Ų137.4100%1.18784%0.837SS**  0142.50-76.2166.5138.300108
2S38.9Very low43.4Very low118 Ų118141.4 Ų141.483%0.82584%0.839SS**  trans34.2148.2157.8-50.50000124
3A43.9Very low43.4Very low94 Ų94136.7 Ų136.778%0.77783%0.826SS**  trans63.2113.1164.900000116.9
4A41Very low44Very low99 Ų99137 Ų13782%0.81883%0.828SS**  cis72.61144.500000118.6
5T50.1Low44.2Very low137 Ų137136.4 Ų136.484%0.8482%0.824SS**  trans-143.5142.8159.7-62.80000110.3
6H44.9Very low44.6Very low170 Ų170135.4 Ų135.479%0.78782%0.821SS**  trans-45.6151.4-174.9-65.9-101.1000117.7
7M41.9Very low45.4Very low178 Ų178133.8 Ų133.888%0.87781%0.814SS**  cis85.2112.933.4-71.5-84.6-89.100116.5
8A41.5Very low45.8Very low99 Ų99133.4 Ų133.482%0.81882%0.815SS**  trans175.5157.5138.500000112.2
9M38.5Very low46.1Very low183 Ų183130.4 Ų130.490%0.90181%0.814SS**  trans-136.9-135.9178.9-64.1-157.592.700114.4
10P53.4Low46.1Very low118 Ų118130.8 Ų130.877%0.76682%0.815SS**  -131-167.7-111.542.3-23.5000116
11A42.2Very low46.5Very low74 Ų74130 Ų13061%0.61281%0.812SS**  140.1163.9129.900000117.7
12H43.8Very low47.1Very low186 Ų186123.5 Ų123.586%0.86179%0.787SS**  trans75.3144.2167-60.8-74.7000119.2
13A43.6Very low47.3Very low80 Ų80124.1 Ų124.166%0.66179%0.786SS**  cis-168.7150.2-12.100000115.4
14V51.5Low47.3Very low141 Ų141127.9 Ų127.986%0.85579%0.792SS**  trans70.8150.7144.5174.30000121.6
15V47Very low47.5Very low128 Ų128126.9 Ų126.978%0.77679%0.791SS**  trans-165164-158.4158.80000107.8
16P51.4Low47.1Very low120 Ų120123.9 Ų123.978%0.77979%0.788SS**  cis-124.7-94.27.321.67.1000120.6
17P58.2Low47.3Very low108 Ų108121.9 Ų121.970%0.70179%0.793SS**  trans-137.9-146-141.548.6-25.5000114.4
18P51.7Low47.3Very low128 Ų128117.1 Ų117.183%0.83179%0.79SS**  cis-129.3172-25.140.5-24.4000116
19G51.6Low47.2Very low76 Ų76118.2 Ų118.278%0.78479%0.789SS**  trans173.1154.7166.600000116.2
20T47.8Very low47.4Very low137 Ų137114.3 Ų114.384%0.8478%0.78SS**  trans-145.6175.9-17758.50000111.7
21P53.2Low46.7Very low116 Ų116115.7 Ų115.775%0.75378%0.781SS**  cis-115-103.8-16.418.28.4000111.4
22P53.1Low46.5Very low103 Ų103119.1 Ų119.167%0.66979%0.789SS**  cis-137.4154.3-43.838.7-20.5000118.9
23V43.3Very low46.3Very low132 Ų132115.1 Ų115.180%0.878%0.781SS**  trans82.2145.5136.9159.50000123.7
24L43.9Very low46.1Very low173 Ų173119.3 Ų119.391%0.90679%0.792SS**  trans82.2132.9-179.5-55-177.2000117.7
25G44.6Very low45.7Very low77 Ų77118.3 Ų118.379%0.79479%0.788SS**  cis174.2158.8-10.900000115.8
26G42.6Very low45.4Very low75 Ų75117.6 Ų117.677%0.77379%0.789SS**  trans95.3146.4167.800000117.6
27S49Very low44.8Very low128 Ų128115.7 Ų115.790%0.89579%0.791SS**  cis-162.5126.4-6.5-78.70000113.9
28G41.9Very low44.1Very low78 Ų78119 Ų11980%0.80479%0.794SS**  trans67.6163.1158.100000119
29C39.5Very low43.5Very low121 Ų121124.2 Ų124.282%0.81880%0.797SS**  cis-174.2162.9-14.457.70000108.1
30S41.3Very low42.8Very low101 Ų101123.8 Ų123.871%0.70679%0.792SS**  cis-169175.3-22.8-89.10000109.3
31N39.1Very low42.3Very low147 Ų147125.9 Ų125.979%0.78679%0.792SS**  trans75.5142.2164.7-63-9.8000119.8
32L38.9Very low41.6Very low147 Ų147129.2 Ų129.277%0.7780%0.795SS**  cis-168167.8-28.8-122.6175.2000111.5
33S39.9Very low41Very low101 Ų101136.1 Ų136.171%0.70681%0.808SS**  trans72.3110.5158.564.30000122.2
34L38.3Very low40.6Very low169 Ų169134.9 Ų134.989%0.88581%0.805SS**  trans-109167.9131.1-72.393.8000107.9
35P44.6Very low40.4Very low120 Ų120133.5 Ų133.578%0.77980%0.803SS**  -155.9153.4107.637.6-19.3000118.5
36S39.3Very low40.1Very low113 Ų113134.2 Ų134.279%0.7980%0.796SS**  trans58.9127.3139.5-161.10000122.5
37G39.8Very low39.9Very low79 Ų79138.1 Ų138.181%0.81480%0.798SS**  trans-170.998.616900000114.5
38K42.3Very low39.4Very low178 Ų178138 Ų13877%0.77478%0.784SS**  trans-82.5154.9-166.2-56.3167.2178.1171.30115.6
39R39.3Very low39.1Very low238 Ų238140 Ų14090%0.89878%0.776SS**  trans101.1125.4130.8-159.3-165.5-53-121.510.2120
40G37.2Very low38.8Very low66 Ų66141.2 Ų141.268%0.6877%0.774SS**  trans153.1106.3142.100000121.7
41H37.5Very low38.5Very low181 Ų181140.7 Ų140.784%0.83878%0.777SS**  trans62.295.9142.1-76.598.1000125.5
42K37.7Very low38.6Very low186 Ų186140 Ų14081%0.80978%0.78SS**  17138.1125.7-58.1-168.6177.5-167.90121.4
43R41.9Very low38.4Very low249 Ų249141.3 Ų141.394%0.9479%0.787SS**  -152.2155.8111.9-101.8171.5-157-89.3-0110.2
44S33.8Very low38.3Very low105 Ų105140.8 Ų140.873%0.73479%0.789SS**  trans-161.4136.3-168540000113.5
45V41Very low38.1Very low144 Ų144141.1 Ų141.187%0.87379%0.79SS**  trans-158.6121.9162.5-88.70000104.5
46S36.5Very low37.8Very low93 Ų93146.6 Ų146.665%0.6580%0.795SS**  cis76.9101.525.9-127.60000115.1E48S46-E48 PolarHBondContact OG-OE2 3.14Å
47L40.1Very low37.7Very low156 Ų156145.5 Ų145.582%0.81779%0.788SS**  trans174.1119131.3-85.5160.1000105.2
48E37.2Very low37.5Very low125 Ų125148 Ų14858%0.58479%0.787SS**  cis72.9138.246.6-55.5163.177.300111.8S46S46-E48 PolarHBondContact OG-OE2 3.14Å
49N35.5Very low37.8Very low121 Ų121145.1 Ų145.165%0.64779%0.787SS**  cis-165.6167-5.1-121.3-25.7000112.1
50N33.7Very low37.8Very low146 Ų146138.5 Ų138.578%0.78178%0.777SS**  trans59.6140.8150.1-63.6-31.2000123.1
51A35.9Very low38.1Very low91 Ų91143.7 Ų143.775%0.75279%0.786SS**  trans-90.8170.3155.300000111.1
52P40.3Very low38.2Very low131 Ų131138.6 Ų138.685%0.85178%0.782SS**  -146.2-174.9122.538.4-22.6000115.7
53L33.9Very low38.4Very low176 Ų176138.4 Ų138.492%0.92178%0.784SS**  trans-90146.1-169.1-60.4155.5000115.2
54A38.5Very low38.3Very low90 Ų90130.9 Ų130.974%0.74477%0.77SS**  trans-168.4114.7148.100000109.1
55L34.9Very low38.5Very low175 Ų175130.5 Ų130.592%0.91677%0.767SS**  63112.977-67.7178.3000116
56R36.7Very low38.4Very low235 Ų235132.1 Ų132.189%0.88777%0.77SS**  172.4116.3117.6-174.3165.6-178.4169.4-1.9115.9
57S37.2Very low38.3Very low91 Ų91131.2 Ų131.264%0.63678%0.775SS**  trans54.1119.6150.1-54.10000122.1
58T37.5Very low37.9Very low130 Ų130129.6 Ų129.680%0.79878%0.777SS**  59.1155.359.571.50000115.6
59P47.8Very low38.2Very low119 Ų119129.2 Ų129.277%0.77379%0.785SS**  cis-120.8-152.54.241.5-22.8000112.1
60S39.2Very low38Very low99 Ų99130.4 Ų130.469%0.69279%0.791SS**  cis-163.11770.3-153.80000111.9
61M43Very low38.2Very low175 Ų175130.2 Ų130.286%0.86279%0.789SS**  trans56.6123.4163.4-55.5-77.2-125.800117.8
62G41Very low38.1Very low74 Ų74132.6 Ų132.676%0.76379%0.785SS**  cis173.7178.81.100000108.9
63Q41.4Very low37.8Very low182 Ų182135.8 Ų135.885%0.8579%0.786SS**  cis-155.5-130.4-3.2-151.3-178.890.800111.6
64S38.7Very low37.8Very low90 Ų90131 Ų13163%0.62978%0.779SS**  trans-104168.4-165.827.40000115.6
65S39.2Very low37.6Very low98 Ų98136.2 Ų136.269%0.68579%0.788SS**  cis-174.4146.1-15.351.80000113.6
66L37.4Very low37.6Very low177 Ų177132.3 Ų132.393%0.92778%0.781SS**  trans41.5133137.1-55.1172.2000122.3
67G34.3Very low37.6Very low74 Ų74125.8 Ų125.876%0.76378%0.778SS**  trans169.2123.7158.100000117.4
68S33.3Very low37.6Very low123 Ų123128 Ų12886%0.8679%0.79SS**  trans-158.1170.1167.2-63.70000107.1
69P43.5Very low37.3Very low116 Ų116125.6 Ų125.675%0.75379%0.79SS**  cis-142.4-167.39.940.5-18.5000116
70L31.6Very low36.6Very low146 Ų146129.4 Ų129.476%0.76480%0.798SS**  trans80.6116136-157.870.6000123.6
71L36.6Very low36.1Very low142 Ų142127.5 Ų127.574%0.74379%0.794SS**  trans77.1150.9144.7-79.6173.7000125.4
72Q35.1Very low35.5Very low142 Ų142128.7 Ų128.766%0.66480%0.797SS**  trans88.596.5148.7-137.167.14.300121.9
73F32.6Very low35Very low197 Ų197131 Ų13186%0.86480%0.801SS**  trans41.9130142.1-78.5-106000122.2
74G33.8Very low34.5Very low76 Ų76131.8 Ų131.878%0.78481%0.805SS**  trans168.4115.2155.300000114.4
75Q34.6Very low34.1Very low199 Ų199130.1 Ų130.193%0.9380%0.802SS**  trans-65.7156.7171-57.4163.8-12.200109.6
76A34.8Very low33.5Very low93 Ų93135.4 Ų135.477%0.76981%0.813SS**  cis-164.9177.93100000113.1
77A38Very low33.3Very low99 Ų99135.7 Ų135.782%0.81881%0.809SS**  trans68.2126.7165.500000118.3
78P36.3Very low33.2Very low138 Ų138138.7 Ų138.790%0.89681%0.813SS**  trans-98.5140.1-174.136.8-33.3000114.5
79G31.6Very low33.2Very low78 Ų78136.5 Ų136.580%0.80481%0.81SS**  trans-159.182.1168.600000111
80Q32.8Very low32.6Very low200 Ų200135.8 Ų135.894%0.93580%0.804SS**  trans-145.3144.8-176.8-103.2179.7-9.300112.2
81G29.2Very low32.5Very low59 Ų59135.4 Ų135.461%0.60880%0.802SS**  trans-106.4-175.3161.200000111.3
82H29.9Very low32.4Very low199 Ų199138 Ų13892%0.92181%0.807SS**  trans61.181.3170.1-63.897.8000117.9
83S30.4Very low32.5Very low122 Ų122135.2 Ų135.285%0.85380%0.803SS**  -162.1137.4125.4-167.20000109.8
84Q30.4Very low32.7Very low200 Ų200137.3 Ų137.394%0.93581%0.805SS**  trans-95.5106.6177-78.9-160.2-23.500111.3
85G30.5Very low33.1Very low55 Ų55140.9 Ų140.957%0.56780%0.801SS**  trans-85.4157.5172.200000113.5
86F27.8Very low33.5Very low208 Ų208138.5 Ų138.591%0.91279%0.79SS**  trans-69.2124.5176.6-67-104.9000111.8
87H32.6Very low33.8Very low183 Ų183142.6 Ų142.685%0.84779%0.793SS**  trans-136123163.6-66.3-62.3000111.7
88T30.9Very low34.2Very low137 Ų137148.3 Ų148.384%0.8479%0.794SS**  trans-76.9123.5170.848.80000109.8
89G34.7Very low34.2Very low77 Ų77151.7 Ų151.779%0.79479%0.789SS**  trans-137.3131.4179.500000111.5
90T30.4Very low34.5Very low102 Ų102155 Ų15563%0.62679%0.787SS**  trans-104165.9-17654.10000112.4
91L28.6Very low34.6Very low138 Ų138151 Ų15172%0.72378%0.781SS**  trans85.6120.3165.1-54.3171.9000119.5
92K35.9Very low34.9Very low197 Ų197157 Ų15786%0.85779%0.793SS**  trans46.3112.2136.4-63.8173.9175.5172.40119.4
93S36.4Very low35.3Very low82 Ų82155.7 Ų155.757%0.57379%0.785SS**  -152.1138.7113.5-171.40000113.6Q95S93-Q95 PolarHBondContact O-N 2.88Å; S93-Q95 WeakPolarHBondContact OG-CB 3.43Å; S93-Q95 PolarHBondContact OG-N 3.16Å
94R36.3Very low35.5Very low241 Ų241160.4 Ų160.491%0.90979%0.791SS**SBendtrans-782.3176.2-160.4-179.1-175.6-169.33.8112.8
95Q42.6Very low35.5Very low151 Ų151154 Ų15471%0.70678%0.778SS**SBendtrans-100-26.1-166.2-164.4164.7-4.300113.3S93 Q97 R98S93-Q95 PolarHBondContact O-N 2.88Å; S93-Q95 WeakPolarHBondContact OG-CB 3.43Å; S93-Q95 PolarHBondContact OG-N 3.16Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 3.42Å; Q95-R98 PolarHBondContact O-N 3.28Å
96E43.5Very low35.6Very low150 Ų150156.7 Ų156.770%0.70179%0.788SS**G310 helixtrans-69.3-31.3-177.9-164.9150.7-129.900112.6R98 R99E96-R98 PolarHBondContact O-N 3.17Å; E96-R99 PolarHBondContact O-N 3.29Å
97Q42Very low36Very low178 Ų178156.4 Ų156.483%0.83279%0.789SS**G310 helixtrans-62-7.5174.4-158.3174.812.400113.9Q95Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 3.42Å
98R45.3Very low36.1Very low220 Ų220152.7 Ų152.783%0.8378%0.784SS**G310 helixtrans-97.6-16.1169.9-68.4-167.4179.9-140.61.3114.7Q95 E96Q95-R98 PolarHBondContact O-N 3.28Å; E96-R98 PolarHBondContact O-N 3.17Å
99R37.2Very low36.2Very low209 Ų209151.8 Ų151.879%0.78977%0.774SS**THydrogen-bonded Turntrans-81.6-9.2-176.9-76.7-165.469.9146.50.8115E96E96-R99 PolarHBondContact O-N 3.29Å
100L36.3Very low36.5Very low148 Ų148156.8 Ų156.878%0.77578%0.782SS**THydrogen-bonded Turntrans-87.7-6.7179.3-78.1164.1000114.5Q102L100-Q102 VanDerWaalsContact C-N 3.31Å; L100-Q102 PolarHBondContact O-N 3Å
101S35.2Very low36.8Very low116 Ų116158.1 Ų158.181%0.81179%0.785SS**SBendtrans-88.313.9-178-165.50000114.6
102Q37Very low37.2Very low184 Ų184159 Ų15986%0.8679%0.79SS**SBendtrans-145.234.3-167.6-155.9-179.414.400113L100L100-Q102 VanDerWaalsContact C-N 3.31Å; L100-Q102 PolarHBondContact O-N 3Å
103K37.1Very low37.3Very low172 Ų172158.2 Ų158.275%0.74879%0.79SS**SBendtrans-131.516.3-170.9-131.5-169.9-179.6-164.90117.4
104F35.2Very low37.1Very low221 Ų221157.5 Ų157.597%0.96980%0.795SS**SBendtrans-139.164.1170-73.5-71.7000110.7
105G29.7Very low37.2Very low64 Ų64153.2 Ų153.266%0.6680%0.796SS**  trans-140.5141.1171.500000109.9
106S31.9Very low36.6Very low113 Ų113149.6 Ų149.679%0.7980%0.799SS**  trans62.595.6172.7-52.90000117.4
107H36.1Very low36.4Very low201 Ų201150.3 Ų150.393%0.93181%0.805SS**  trans-131.9153134.5-83.9-74.9000108.1
108S35.9Very low35.9Very low106 Ų106145.6 Ų145.674%0.74181%0.805SS**  trans-143.3157.4-151.250.20000113.3
109N31.9Very low35.6Very low117 Ų117140.6 Ų140.663%0.62680%0.799SS**  trans21.5118.9167-66.751.8000119D111N109-D111 PolarHBondContact ND2-OD1 3.17Å; N109-D111 PolarHBondContact ND2-OD2 2.95Å
110L41.2Very low35.4Very low183 Ų183134.7 Ų134.796%0.95880%0.802SS**  -126.5129.7115.6-76.2177.7000108.2
111D36.9Very low35.4Very low130 Ų130136.5 Ų136.570%0.69581%0.809SS**  trans-96.6139.1175.5-50.4-101.3000108.7N109N109-D111 PolarHBondContact ND2-OD1 3.17Å; N109-D111 PolarHBondContact ND2-OD2 2.95Å
112D37.6Very low35.1Very low156 Ų156134.2 Ų134.283%0.83480%0.804SS**  trans-163.3151.8134.4-151.824.4000112.5
113E37.7Very low35Very low181 Ų181135.1 Ų135.185%0.84681%0.811SS**  trans3137.6169.9-70.9-76.275.200123
114G32.9Very low34.8Very low67 Ų67129.7 Ų129.769%0.69180%0.803SS**  trans134.183.8145.300000119.4
115V37.9Very low34.9Very low151 Ų151128.2 Ų128.292%0.91580%0.802SS**  trans52.598.4156.9-169.50000116.7
116G30.3Very low35.2Very low75 Ų75128.9 Ų128.977%0.77381%0.809SS**  trans-81.7159.3-169.500000117.9
117I39.7Very low35.5Very low164 Ų164129.7 Ų129.784%0.84180%0.803SS**  trans-145.1129.7147.8-94.8156.2000105.9
118G31.1Very low35.6Very low80 Ų80127.2 Ų127.283%0.82579%0.792SS**  trans-81.4132.5-171.200000114.4
119V39.3Very low35.6Very low115 Ų115130 Ų13070%0.69780%0.795SS**  trans-135.693171.8-173.50000111.2M121V119-M121 HydrophobicContact CG1-CG 4.26Å
120G32.8Very low35.8Very low84 Ų84133.5 Ų133.587%0.86680%0.8SS**  trans-87.5102.8167.200000111.3G122G120-G122 PolarHBondContact O-N 2.94Å
121M35.2Very low35.8Very low187 Ų187127.9 Ų127.992%0.92178%0.776SS**  trans-81.2109.9174.2-79-159.8179.300112V119V119-M121 HydrophobicContact CG1-CG 4.26Å
122G30.4Very low36.1Very low67 Ų67129.1 Ų129.169%0.69178%0.775SS**SBendtrans171.1120.7167.200000113.8G120G120-G122 PolarHBondContact O-N 2.94Å
123M33.8Very low36.2Very low204 Ų204129.5 Ų129.5100%1.00577%0.77SS**SBendtrans50.2104.7173.4-57.5-164.4-175.300117.2
124G33Very low36.4Very low58 Ų58126.1 Ų126.160%0.59875%0.754SS**  trans-173.6-20.1171.700000119.4G126 L127G124-G126 PolarHBondContact O-N 3.39Å; G124-L127 PolarHBondContact O-N 3.49Å
125M37.1Very low37.1Very low190 Ų190127.5 Ų127.594%0.93675%0.746SS**THydrogen-bonded Turntrans-66.12.8-168.4-76.5-170.3168.100117.1
126G36.3Very low37.7Very low78 Ų78124.7 Ų124.780%0.80473%0.725SS**THydrogen-bonded Turntrans-84.9-16.1175.400000115.9G124G124-G126 PolarHBondContact O-N 3.39Å
127L39.3Very low38.6Very low129 Ų129129.6 Ų129.668%0.67572%0.72SS**THydrogen-bonded Turntrans-111.4-23.2-167.8-69.2170.5000115.1G124 M129 R130G124-L127 PolarHBondContact O-N 3.49Å; L127-M129 PolarHBondContact O-N 2.81Å; L127-R130 PolarHBondContact O-N 3.39Å; L127-R130 VanDerWaalsContact O-N 3.13Å
128Q38.2Very low39Very low149 Ų149126.4 Ų126.470%0.69670%0.701SS**Hα-helixtrans-68.4-30.2-164.5-155.4172.715.900114.6R130Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.47Å
129M35.2Very low39.8Very low164 Ų164128.5 Ų128.581%0.80869%0.691SS**Hα-helixtrans-69.9-23.2176.3-70.9-68-90.600113.3L127L127-M129 PolarHBondContact O-N 2.81Å
130R35.6Very low40.2Very low191 Ų191129.2 Ų129.272%0.72169%0.685SS**Hα-helixtrans-82.5-31-177.2-167.1164.5168.7-178.6-5.5112.3L127 Q128 K132 F133 Q134L127-R130 PolarHBondContact O-N 3.39Å; L127-R130 VanDerWaalsContact O-N 3.13Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.47Å; R130-K132 PolarHBondContact O-N 2.77Å; R130-F133 PolarHBondContact O-N 3.11Å; R130-Q134 PolarHBondContact O-N 3.4Å
131S41.4Very low41.2Very low66 Ų66130.8 Ų130.846%0.46267%0.67SS.*Hα-helixtrans-65-35.3178.3-174.30000113.3F133 Q134 N135S131-F133 VanDerWaalsContact C-N 3.34Å; S131-F133 PolarHBondContact O-N 3.48Å; S131-Q134 WeakPolarHBondContact O-CB 2.89Å; S131-Q134 PolarHBondContact O-N 3.49Å; S131-N135 PolarHBondContact O-N 3.44Å
132K43.4Very low41.8Very low156 Ų156128 Ų12868%0.67866%0.658SS**Hα-helixtrans-65.1-32.3-179.6-69.3-165.4174.7-171.40113.7R130R130-K132 PolarHBondContact O-N 2.77Å
133F40.2Very low42.8Very low163 Ų163128.5 Ų128.572%0.71565%0.651SS**Hα-helixtrans-81.7-27.1174.5-80-82.8000113.3R130 S131 R137R130-F133 PolarHBondContact O-N 3.11Å; S131-F133 VanDerWaalsContact C-N 3.34Å; S131-F133 PolarHBondContact O-N 3.48Å; F133-R137 PolarHBondContact O-N 3.49Å
134Q41.4Very low43.4Very low111 Ų111127.5 Ų127.552%0.51964%0.636SS.*Hα-helixtrans-64-47.3175.7-158.479.743.800110.9R130 S131 I136 R137 Q138R130-Q134 PolarHBondContact O-N 3.4Å; S131-Q134 WeakPolarHBondContact O-CB 2.89Å; S131-Q134 PolarHBondContact O-N 3.49Å; Q134-I136 PolarHBondContact O-N 3.41Å; Q134-R137 PolarHBondContact O-N 3.1Å; Q134-Q138 WeakPolarHBondContact O-CG 3.24Å; Q134-Q138 PolarHBondContact O-N 2.81Å
135N47.3Very low43.8Very low96 Ų96129.8 Ų129.851%0.51364%0.642SS.*Hα-helixtrans-59.2-42178.4-100.5-73.2000113.1S131 Q138 M139S131-N135 PolarHBondContact O-N 3.44Å; N135-Q138 PolarHBondContact O-N 3.42Å; N135-M139 WeakPolarHBondContact O-CB 3.45Å; N135-M139 PolarHBondContact O-N 3.49Å
136I50.8Low44Very low92 Ų92125.5 Ų125.547%0.47263%0.63SS.*Hα-helixtrans-66.8-41.2-179.5-64.1171.2000110.8Q134 M139 F140Q134-I136 PolarHBondContact O-N 3.41Å; I136-M139 PolarHBondContact O-N 3.3Å; I136-F140 HydrophobicContact CG2-CD2 4.13Å; I136-F140 HydrophobicContact CG2-CE2 4.26Å; I136-F140 WeakPolarHBondContact O-CD2 3.39Å; I136-F140 PolarHBondContact O-N 3.41Å; I136-F140 VanDerWaalsContact O-N 3.14Å
137R49.5Very low44.3Very low177 Ų177128 Ų12867%0.66863%0.629SS**Hα-helixtrans-63.1-44.5173.2-86.2-172.7174.2-99.6-5.8112.4F133 Q134 M139 F140 E141F133-R137 PolarHBondContact O-N 3.49Å; Q134-R137 PolarHBondContact O-N 3.1Å; R137-M139 VanDerWaalsContact C-N 3.3Å; R137-M139 PolarHBondContact O-N 3.3Å; R137-F140 PolarHBondContact O-N 3.02Å; R137-E141 WeakPolarHBondContact O-CB 3.5Å; R137-E141 WeakPolarHBondContact O-CG 3.34Å; R137-E141 PolarHBondContact O-N 3.04Å
138Q47.4Very low44.1Very low97 Ų97125.9 Ų125.945%0.45364%0.639SS.*Hα-helixtrans-63.5-35.4177.7-70.5-176.2-8500112.5Q134 N135 E141 L142Q134-Q138 WeakPolarHBondContact O-CG 3.24Å; Q134-Q138 PolarHBondContact O-N 2.81Å; N135-Q138 PolarHBondContact O-N 3.42Å; Q138-E141 PolarHBondContact O-N 3.29Å; Q138-L142 WeakPolarHBondContact O-CB 3.27Å; Q138-L142 VanDerWaalsContact O-CG 3.24Å; Q138-L142 WeakPolarHBondContact O-CG 3.41Å; Q138-L142 PolarHBondContact O-N 3.14Å
139M49.2Very low44Very low124 Ų124122.8 Ų122.861%0.61165%0.647SS**Hα-helixtrans-62.2-47.1174-163.7-175.6-61.800111.4N135 I136 R137 L142 S143N135-M139 WeakPolarHBondContact O-CB 3.45Å; N135-M139 PolarHBondContact O-N 3.49Å; I136-M139 PolarHBondContact O-N 3.3Å; R137-M139 VanDerWaalsContact C-N 3.3Å; R137-M139 PolarHBondContact O-N 3.3Å; M139-L142 PolarHBondContact O-N 2.83Å; M139-S143 PolarHBondContact O-N 3.31Å; M139-S143 PolarHBondContact O-OG 3.27Å
140F47.6Very low43.9Very low130 Ų130118.9 Ų118.957%0.5765%0.649SS**Hα-helixtrans-69.1-34.1176.3-87-81.9000113.8I136 R137 R144I136-F140 HydrophobicContact CG2-CD2 4.13Å; I136-F140 HydrophobicContact CG2-CE2 4.26Å; I136-F140 WeakPolarHBondContact O-CD2 3.39Å; I136-F140 PolarHBondContact O-N 3.41Å; I136-F140 VanDerWaalsContact O-N 3.14Å; R137-F140 PolarHBondContact O-N 3.02Å; F140-R144 WeakPolarHBondContact O-CB 3.39Å; F140-R144 VanDerWaalsContact O-CG 3.31Å; F140-R144 WeakPolarHBondContact O-CG 3.26Å; F140-R144 PolarHBondContact O-N 3.34Å
141E53.2Low44Very low118 Ų118114 Ų11455%0.55166%0.657SS**Hα-helixtrans-68.5-38.9175.2-75170.2167.800111.5R137 Q138 R144 S145R137-E141 WeakPolarHBondContact O-CB 3.5Å; R137-E141 WeakPolarHBondContact O-CG 3.34Å; R137-E141 PolarHBondContact O-N 3.04Å; Q138-E141 PolarHBondContact O-N 3.29Å; E141-R144 PolarHBondContact O-N 2.84Å; E141-S145 WeakPolarHBondContact O-CB 3.22Å; E141-S145 PolarHBondContact O-N 2.77Å
142L47.5Very low43.7Very low129 Ų129114 Ų11468%0.67567%0.669SS**Hα-helixtrans-66.4-45173-71.5168.7000111.8Q138 M139 R144 S145Q138-L142 WeakPolarHBondContact O-CB 3.27Å; Q138-L142 VanDerWaalsContact O-CG 3.24Å; Q138-L142 WeakPolarHBondContact O-CG 3.41Å; Q138-L142 PolarHBondContact O-N 3.14Å; M139-L142 PolarHBondContact O-N 2.83Å; L142-R144 VanDerWaalsContact C-N 3.27Å; L142-R144 PolarHBondContact O-N 2.97Å; L142-S145 PolarHBondContact O-N 3.01Å; L142-S145 VanDerWaalsContact O-N 3.13Å
143S51.5Low43.5Very low76 Ų76115.2 Ų115.253%0.53168%0.682SS.*Hα-helixtrans-66.9-22.1176.8-64.30000114.4M139 C146M139-S143 PolarHBondContact O-N 3.31Å; M139-S143 PolarHBondContact O-OG 3.27Å; S143-C146 PolarHBondContact O-SG 3.38Å
144R45.6Very low43.4Very low184 Ų184111 Ų11169%0.69469%0.685SS**Hα-helixtrans-87.8-13.6172.7-69.8177.585.3156.67.1113.3F140 E141 L142F140-R144 WeakPolarHBondContact O-CB 3.39Å; F140-R144 VanDerWaalsContact O-CG 3.31Å; F140-R144 WeakPolarHBondContact O-CG 3.26Å; F140-R144 PolarHBondContact O-N 3.34Å; E141-R144 PolarHBondContact O-N 2.84Å; L142-R144 VanDerWaalsContact C-N 3.27Å; L142-R144 PolarHBondContact O-N 2.97Å
145S42.4Very low43.2Very low105 Ų105118 Ų11873%0.73471%0.707SS**THydrogen-bonded Turntrans-86-2.4-177.4-168.60000114.6E141 L142E141-S145 WeakPolarHBondContact O-CB 3.22Å; E141-S145 PolarHBondContact O-N 2.77Å; L142-S145 PolarHBondContact O-N 3.01Å; L142-S145 VanDerWaalsContact O-N 3.13Å
146C41.6Very low42.7Very low101 Ų101117.6 Ų117.668%0.68273%0.726SS**THydrogen-bonded Turntrans-114.66.4-176.749.80000115S143S143-C146 PolarHBondContact O-SG 3.38Å
147V42.5Very low41.9Very low129 Ų129116.8 Ų116.878%0.78274%0.739SS**SBendtrans-125.487.8174.1-173.50000109
148G34.3Very low41.2Very low86 Ų86113.5 Ų113.589%0.88775%0.75SS**  trans177.453.7-172.100000115.4
149G35.7Very low40.7Very low83 Ų83112.8 Ų112.886%0.85676%0.761SS**  trans-160.5116174.600000113.8
150G35Very low40.2Very low82 Ų82116 Ų11685%0.84577%0.774SS**  trans128.694.416800000115.6
151G35.8Very low39.6Very low88 Ų88118.6 Ų118.691%0.90779%0.788SS**  trans75157.5166.900000116.6
152G36.8Very low38.8Very low68 Ų68121 Ų12170%0.70180%0.799SS**  cis168.5115.7-9.300000112.8
153D38.5Very low38.4Very low180 Ų180118.1 Ų118.196%0.96380%0.795SS**  trans59.1160.2173.8-65.5-53.3000118.5
154G37.5Very low37.5Very low75 Ų75121.4 Ų121.477%0.77380%0.803SS**  trans162.7-16.2175.400000121.3
155R38.2Very low37Very low258 Ų258120.6 Ų120.697%0.97481%0.808SS**  trans40.5112.2169.8-80.7-176.2159.8-153.3-3.5120.5
156G35.6Very low36.6Very low88 Ų88120.1 Ų120.191%0.90780%0.804SS**  trans105.7141.814000000117.5
157G34.2Very low36.1Very low74 Ų74123.1 Ų123.176%0.76381%0.812SS**  cis170.6157.1-9.500000114
158A35.6Very low35.8Very low108 Ų108122.9 Ų122.989%0.89381%0.814SS**  trans64.5149.2172.800000117.6
159A37.7Very low35.6Very low82 Ų82123.5 Ų123.568%0.67881%0.81SS**  cis-163.5178.3-19.900000109.6
160E37Very low35.7Very low191 Ų191126 Ų12689%0.89381%0.809SS**  trans69.7145.9167.6-58.3172160.700116.1
161E35.8Very low35.5Very low186 Ų186130 Ų13087%0.86981%0.81SS**  cis-140.6158.91-152.6-173.9154.500112.8
162E36.6Very low35.6Very low167 Ų167131.3 Ų131.378%0.7880%0.803SS**  trans-66.1176.9166.5-92.2-176.6104.800113.7
163A38.2Very low35.5Very low70 Ų70136.2 Ų136.258%0.57981%0.808SS**  cis-159.3168-6.200000112.8
164M34Very low35.2Very low144 Ų144135.2 Ų135.271%0.70980%0.797SS**  trans24.2123.6141.4-61.5-169.4-77.100120
165Q34.2Very low35.1Very low168 Ų168140.8 Ų140.879%0.78580%0.802SS**  cis111133.747.2-88.51765700113
166S33.3Very low34.9Very low94 Ų94135.9 Ų135.966%0.65779%0.79SS**  trans66.4112.8149.457.90000125
167L32.4Very low34.8Very low164 Ų164138.7 Ų138.786%0.85978%0.78SS**  68.6167.5125.9-60.5177000120.7
168P36.1Very low34.9Very low125 Ų125142.2 Ų142.281%0.81278%0.777SS**  cis-127-164.3-39.936-18.4000112.3
169A28.9Very low34.9Very low98 Ų98143.8 Ų143.881%0.8177%0.765SS**  trans-102.1156.7-173.800000115.6
170T38.8Very low34.7Very low136 Ų136147.3 Ų147.383%0.83477%0.768SS**  trans-139.9142.317250.50000112.5
171L30Very low34.4Very low166 Ų166149.2 Ų149.287%0.86977%0.767SS**  trans-90.1157.2160.9-94.3102.8000109.9
172P38.6Very low34.4Very low116 Ų116151.7 Ų151.775%0.75377%0.768SS**  -150.1153.2102.438.4-21.8000117.3
173Q35.2Very low34.4Very low171 Ų171149.1 Ų149.180%0.79976%0.764SS**  trans43.2149.7130.6-153.2161-5.300123.9
174Q30.9Very low34.1Very low158 Ų158152 Ų15274%0.73878%0.775SS**  trans-51.2148.9179.5-55.6160.6-56.800116
175H35.4Very low34.4Very low192 Ų192150.1 Ų150.189%0.88977%0.774SS**  -154.2-168.2118.9-113.176.7000112.9
176Q34Very low34.4Very low155 Ų155150.2 Ų150.272%0.72478%0.777SS**  trans-120.9165.3-149.2-146.8-174.410.200113.8
177Q34.8Very low34.7Very low148 Ų148150.6 Ų150.669%0.69279%0.787SS**  trans73.9124.8157.8-76.4177.34.500122
178Q34.8Very low34.7Very low148 Ų148146.8 Ų146.869%0.69279%0.787SS**  trans66.6109.8130.1-65.7-171.1-500123.7
179Q35.1Very low34.7Very low140 Ų140144.8 Ų144.865%0.65479%0.789SS**  93.6133.4114.9-74.2-171.739.900123.9
180Q33.9Very low35Very low156 Ų156146.2 Ų146.273%0.72979%0.793SS**  trans81.9100.8142.8-71.4-174.970.900124
181R32.2Very low34.7Very low232 Ų232150.7 Ų150.788%0.87579%0.794SS**  trans41.3126131.6-56.6-173-175-155.26.3122.9
182R34.1Very low35Very low237 Ų237150.6 Ų150.689%0.89479%0.789SS**  176117.6127-95.6172.2-176.8-132.41.8108.9
183T37.2Very low34.7Very low113 Ų113153.2 Ų153.269%0.69379%0.791SS**  74.198.975.461.80000117.5
184T32.1Very low34.5Very low130 Ų130153.9 Ų153.980%0.79880%0.795SS**  39.8162.5119.950.80000122.7
185P40.8Very low34.5Very low106 Ų106153.9 Ų153.969%0.68880%0.795SS**  cis-142.5175.9-13.434.2-11.4000118.1
186I33.9Very low34.4Very low169 Ų169152.8 Ų152.887%0.86779%0.79SS**  trans26.9134.6139.3-55165.4000122.4
187A38.6Very low34.3Very low103 Ų103153 Ų15385%0.85179%0.791SS**  trans-152.1168.9151.700000111.8
188G32.8Very low34.1Very low84 Ų84154.5 Ų154.587%0.86680%0.8SS**  trans178.1173.3175.300000117.8
189G35.9Very low34.2Very low82 Ų82150.8 Ų150.885%0.84580%0.801SS**  trans111.9167.9-177.800000113.9
190S35Very low33.8Very low128 Ų128153.9 Ų153.990%0.89582%0.816SS**  cis-160.6144.8-25.9-160.70000113.1
191R34.2Very low33.8Very low230 Ų230151.4 Ų151.487%0.86882%0.822SS**  trans-33.2142.9177.4-175.3-168.8-160.1-167.56.4121.6
192H36Very low33.6Very low164 Ų164149.3 Ų149.376%0.75982%0.822SS**  trans-172.6164.5149.8-105.261.4000108.8
193Q31.3Very low33.5Very low171 Ų171146.6 Ų146.680%0.79982%0.82SS**  cis-165.4-163.8-23.3-144.5-169.6200110.9
194Q32.5Very low33.2Very low186 Ų186146.8 Ų146.887%0.86982%0.821SS**  trans79.3163.1165.4-140.3157.515.400120.4
195Q29.3Very low33.1Very low158 Ų158146.6 Ų146.674%0.73883%0.825SS**  -161.9167-121.4-174.6-178.8-4.900115.2
196Q33.7Very low32.8Very low168 Ų168144.5 Ų144.579%0.78582%0.822SS**  trans100.7153.2162.1-58.4178.710.100117.3
197Q31.2Very low32.7Very low160 Ų160144 Ų14475%0.74882%0.822SS**  cis-166.8173.1-44-145.1170.911.400110.4
198M32.3Very low32.6Very low179 Ų179148 Ų14888%0.88282%0.82SS**  trans72.8144.7177.6-48.1-65-80.900115.4
199G36.5Very low32.9Very low70 Ų70151.5 Ų151.572%0.72282%0.818SS**  cis-157177.1-3.400000111.4
200E27.5Very low33Very low206 Ų206158.5 Ų158.596%0.96382%0.819SS**  trans-104.8150.4-157.9-59.8169.8125.500116.3
201A33Very low33Very low104 Ų104157.8 Ų157.886%0.8681%0.812SS**  trans-159.4143.615300000110.4
202E27.7Very low33.2Very low188 Ų188153.4 Ų153.488%0.87980%0.804SS**  trans-84.3142.7-178.2-65.1175.673.600113.6
203Q31.2Very low33.2Very low179 Ų179147.7 Ų147.784%0.83679%0.785SS**  -169.3125.6123.3-106.7166.144.900114.8
204T31.1Very low33.3Very low118 Ų118147.2 Ų147.272%0.72478%0.781SS**  trans41.6121.2144.957.90000122.4
205S31.4Very low33.7Very low125 Ų125143.2 Ų143.287%0.87476%0.761SS**  trans71116.3136-56.10000120.5
206G33Very low34.1Very low62 Ų62138.9 Ų138.964%0.63975%0.746SS**  trans166.764.6166.200000117.3F208G206-F208 PolarHBondContact O-N 2.9Å
207N33.2Very low34.2Very low160 Ų160136.1 Ų136.186%0.85674%0.735SS**  trans-72.991.9172.9-89.2-21.9000111.8
208F36.1Very low34.6Very low185 Ų185131.2 Ų131.281%0.81172%0.718SS**  trans-111.5107.1170.8-80.9-79.3000112.7G206G206-F208 PolarHBondContact O-N 2.9Å
209L38.4Very low34.7Very low158 Ų158131 Ų13183%0.82771%0.712SS**PPolyproline II helixtrans-70.2150.9173.9-88.460000111
210R38.6Very low35Very low229 Ų229133 Ų13386%0.86470%0.703SS**PPolyproline II helixtrans-62.3144.3-173.7-54.3-178.9-164.9153.54.2112.7I212R210-I212 PolarHBondContact O-N 2.77Å
211P35.9Very low35.9Very low114 Ų114126.9 Ų126.974%0.7468%0.68SS**PPolyproline II helixtrans-58.6123.7171.2-24.634.3000112.9A213P211-A213 PolarHBondContact O-N 2.96Å
212I38.4Very low36.3Very low137 Ų137126 Ų12670%0.70366%0.661SS**  trans-84.897.8173.1-58.9178.1000108.4R210 F214R210-I212 PolarHBondContact O-N 2.77Å; I212-F214 HydrophobicContact CB-CE2 4.29Å; I212-F214 HydrophobicContact CG2-CD2 4.01Å; I212-F214 HydrophobicContact CG2-CE2 3.65Å; I212-F214 HydrophobicContact CG2-CZ 4.3Å; I212-F214 WeakPolarHBondContact O-CD2 3.24Å; I212-F214 PolarHBondContact O-N 3.19Å
213A35.7Very low37.4Very low45 Ų45125.1 Ų125.137%0.37265%0.651SS.*  trans-68.699.218000000111.9P211 F432P211-A213 PolarHBondContact O-N 2.96Å; A213-F432 HydrophobicContact CB-CE1 4.48Å; A213-F432 HydrophobicContact CB-CE2 3.92Å; A213-F432 HydrophobicContact CB-CZ 3.84Å; A213-F432 WeakPolarHBondContact O-CZ 3.25Å
214F33.1Very low38.4Very low161 Ų161124.6 Ų124.671%0.70664%0.642SS**  trans-75.1125.6176.2-87.3-88.1000111.9I212 P216I212-F214 HydrophobicContact CB-CE2 4.29Å; I212-F214 HydrophobicContact CG2-CD2 4.01Å; I212-F214 HydrophobicContact CG2-CE2 3.65Å; I212-F214 HydrophobicContact CG2-CZ 4.3Å; I212-F214 WeakPolarHBondContact O-CD2 3.24Å; I212-F214 PolarHBondContact O-N 3.19Å; F214-P216 WeakPolarHBondContact O-CD 3.35Å
215K41.1Very low39.6Very low102 Ų102123.3 Ų123.344%0.44363%0.629SS.*  trans-76.3114.5179.3-87.6-171.4172177.90111.5I217 F432 Q436 E439K215-I217 PolarHBondContact O-N 3.44Å; K215-F432 HydrophobicContact CB-CZ 4.22Å; K215-F432 HydrophobicContact CG-CE1 4.15Å; K215-F432 HydrophobicContact CG-CE2 3.87Å; K215-F432 HydrophobicContact CG-CZ 3.41Å; K215-F432 VanDerWaalsContact CG-CZ 3.41Å; K215-Q436 VanDerWaalsContact CB-OE1 3.26Å; K215-Q436 HydrophobicContact CD-CG 4.08Å; K215-Q436 HydrophobicContact CG-CG 4.4Å; K215-E439 IonicContact NZ-OE2 2.81Å; K215-E439 PolarHBondContact NZ-OE2 2.87Å
216P36.6Very low40.8Very low67 Ų67120.2 Ų120.244%0.43561%0.611SS.*PPolyproline II helixtrans-65.9122.4176.426.5-35.1000110.7F214 P218 Y433 Q436F214-P216 WeakPolarHBondContact O-CD 3.35Å; P216-P218 WeakPolarHBondContact O-CD 3.26Å; P216-Y433 VanDerWaalsContact CD-CE1 3.41Å; P216-Y433 HydrophobicContact CG-CD1 3.66Å; P216-Y433 HydrophobicContact CG-CE1 3.39Å; P216-Q436 VanDerWaalsContact CD-OE1 3.32Å; P216-Q436 PolarHBondContact O-NE2 2.94Å; P216-Q436 PolarHBondContact O-OE1 2.89Å
217I37.2Very low42.2Very low109 Ų109120.9 Ų120.956%0.55961%0.605SS**PPolyproline II helixtrans-67.2124.5-177.2-60.7168.7000109.2K215 F219K215-I217 PolarHBondContact O-N 3.44Å; I217-F219 PolarHBondContact O-N 2.78Å
218P39.3Very low43.8Very low58 Ų58118.9 Ų118.938%0.37759%0.591SS.*PPolyproline II helixtrans-61.5136.3176.8-2536.9000111.6P216 E220 C440P216-P218 WeakPolarHBondContact O-CD 3.26Å; P218-E220 PolarHBondContact O-N 2.73Å; P218-C440 HydrophobicContact CB-CB 4.46Å; P218-C440 HydrophobicContact CG-CB 3.88Å
219F33.1Very low45.4Very low173 Ų173116.8 Ų116.876%0.75958%0.584SS**  trans-73.1113169.8-81.8-104.3000109.5I217 P221 A647I217-F219 PolarHBondContact O-N 2.78Å; F219-P221 WeakPolarHBondContact O-CD 3.42Å; F219-A647 HydrophobicContact CE1-CB 4.43Å; F219-A647 HydrophobicContact CZ-CB 4.13Å
220E43.6Very low47.1Very low114 Ų114115.8 Ų115.853%0.53358%0.575SS.*  trans-86.1119.5153.2-79.1-171165.300108.5P218P218-E220 PolarHBondContact O-N 2.73Å
221P45.6Very low48.8Very low76 Ų76110.8 Ų110.849%0.49456%0.561SS.*  trans-63.1131.9153.8-12.428.1000108F219 Y223F219-P221 WeakPolarHBondContact O-CD 3.42Å; P221-Y223 HydrophobicContact CB-CD2 4.22Å; P221-Y223 HydrophobicContact CB-CE2 3.92Å; P221-Y223 HydrophobicContact CG-CE2 3.8Å; P221-Y223 WeakPolarHBondContact O-CD2 3.45Å; P221-Y223 PolarHBondContact O-N 2.7Å
222D42.7Very low50.5Low85 Ų85110.8 Ų110.846%0.45555%0.551SS.*  trans-76.678.4178.5-156.1-29.9000110.5R224 I225D222-R224 PolarHBondContact O-N 3.48Å; D222-R224 VanDerWaalsContact OD1-CB 3.31Å; D222-R224 WeakPolarHBondContact OD1-CB 3.44Å; D222-R224 WeakPolarHBondContact OD1-CG 3.48Å; D222-R224 IonicContact OD1-CZ 3.38Å; D222-R224 PolarHBondContact OD1-N 2.71Å; D222-R224 IonicContact OD1-NE 3.58Å; D222-R224 PolarHBondContact OD1-NE 3.36Å; D222-R224 IonicContact OD1-NH2 2.62Å; D222-R224 PolarHBondContact OD1-NH2 3.46Å; D222-R224 IonicContact OD2-CZ 3.67Å; D222-R224 IonicContact OD2-NE 3.6Å; D222-R224 IonicContact OD2-NH2 2.82Å; D222-R224 PolarHBondContact OD2-NH2 2.8Å; D222-I225 PolarHBondContact O-N 3.33Å
223Y49.5Very low52.2Low171 Ų171109.5 Ų109.567%0.67154%0.542SS*.Hα-helixtrans-55.8-12.5-179.4-75.2-78.8000113.6P221 I225 A226 C227P221-Y223 HydrophobicContact CB-CD2 4.22Å; P221-Y223 HydrophobicContact CB-CE2 3.92Å; P221-Y223 HydrophobicContact CG-CE2 3.8Å; P221-Y223 WeakPolarHBondContact O-CD2 3.45Å; P221-Y223 PolarHBondContact O-N 2.7Å; Y223-I225 VanDerWaalsContact C-N 3.33Å; Y223-I225 PolarHBondContact O-N 3Å; Y223-A226 PolarHBondContact O-N 2.87Å; Y223-C227 VanDerWaalsContact O-CB 3.23Å; Y223-C227 WeakPolarHBondContact O-CB 3.43Å; Y223-C227 PolarHBondContact O-N 3.06Å
224R53Low54.1Low168 Ų168113.8 Ų113.863%0.63455%0.554SS**Hα-helixtrans-63.8-35.4177.8-65.1179.2-69.9-167.7-0.6112.5D222 C227 Q228D222-R224 PolarHBondContact O-N 3.48Å; D222-R224 VanDerWaalsContact OD1-CB 3.31Å; D222-R224 WeakPolarHBondContact OD1-CB 3.44Å; D222-R224 WeakPolarHBondContact OD1-CG 3.48Å; D222-R224 IonicContact OD1-CZ 3.38Å; D222-R224 PolarHBondContact OD1-N 2.71Å; D222-R224 IonicContact OD1-NE 3.58Å; D222-R224 PolarHBondContact OD1-NE 3.36Å; D222-R224 IonicContact OD1-NH2 2.62Å; D222-R224 PolarHBondContact OD1-NH2 3.46Å; D222-R224 IonicContact OD2-CZ 3.67Å; D222-R224 IonicContact OD2-NE 3.6Å; D222-R224 IonicContact OD2-NH2 2.82Å; D222-R224 PolarHBondContact OD2-NH2 2.8Å; R224-C227 PolarHBondContact O-N 3.45Å; R224-Q228 WeakPolarHBondContact O-CB 3.36Å; R224-Q228 PolarHBondContact O-N 3.06Å
225I55.9Low56.2Low91 Ų91112.2 Ų112.247%0.46755%0.549SS..Hα-helixtrans-66.4-46.9177-58.1179.8000110D222 Y223 C227 Q228 Q229D222-I225 PolarHBondContact O-N 3.33Å; Y223-I225 VanDerWaalsContact C-N 3.33Å; Y223-I225 PolarHBondContact O-N 3Å; I225-C227 PolarHBondContact O-N 3.18Å; I225-Q228 PolarHBondContact O-N 3.47Å; I225-Q229 VanDerWaalsContact O-CB 3.28Å; I225-Q229 WeakPolarHBondContact O-CB 3.26Å; I225-Q229 PolarHBondContact O-N 3.43Å
226A57Low57.9Low60 Ų60113.7 Ų113.750%0.49656%0.557SS.*Hα-helixtrans-62.3-44.1176.400000112.1Y223 Q230Y223-A226 PolarHBondContact O-N 2.87Å; A226-Q230 VanDerWaalsContact O-CB 3.24Å; A226-Q230 WeakPolarHBondContact O-CB 3.47Å; A226-Q230 PolarHBondContact O-N 3.17Å
227C61.4Low60Low75 Ų75115 Ų11551%0.50756%0.56SS.*Hα-helixtrans-67.6-39.3178.8-170.40000112.3Y223 R224 I225 Q230 Q231Y223-C227 VanDerWaalsContact O-CB 3.23Å; Y223-C227 WeakPolarHBondContact O-CB 3.43Å; Y223-C227 PolarHBondContact O-N 3.06Å; R224-C227 PolarHBondContact O-N 3.45Å; I225-C227 PolarHBondContact O-N 3.18Å; C227-Q230 PolarHBondContact O-N 3.24Å; C227-Q231 VanDerWaalsContact O-CB 3.31Å; C227-Q231 WeakPolarHBondContact O-CB 3.33Å; C227-Q231 PolarHBondContact O-N 3.29Å
228Q67Low61.9Low119 Ų119116.7 Ų116.756%0.55657%0.566SS**Hα-helixtrans-72.4-38.4177.8-171.5162.237.200112.1R224 I225 Q231 Q232R224-Q228 WeakPolarHBondContact O-CB 3.36Å; R224-Q228 PolarHBondContact O-N 3.06Å; I225-Q228 PolarHBondContact O-N 3.47Å; Q228-Q231 PolarHBondContact O-N 2.97Å; Q228-Q232 WeakPolarHBondContact O-CG 3.12Å; Q228-Q232 PolarHBondContact O-N 2.92Å
229Q69.4Low63.6Low141 Ų141118.3 Ų118.366%0.65957%0.571SS**Hα-helixtrans-64.6-41.6171.8-171.4178.394.400111.2I225 Q231 Q232 H233I225-Q229 VanDerWaalsContact O-CB 3.28Å; I225-Q229 WeakPolarHBondContact O-CB 3.26Å; I225-Q229 PolarHBondContact O-N 3.43Å; Q229-Q231 VanDerWaalsContact C-N 3.35Å; Q229-Q231 PolarHBondContact O-N 3.41Å; Q229-Q232 PolarHBondContact O-N 2.98Å; Q229-H233 WeakPolarHBondContact O-CB 3.37Å; Q229-H233 PolarHBondContact O-N 2.86Å
230Q74.6Confident65.7Low137 Ų137116 Ų11664%0.6456%0.562SS**Hα-helixtrans-62.3-40.3173-172.8179.239.100111.9A226 C227 H233 Q234A226-Q230 VanDerWaalsContact O-CB 3.24Å; A226-Q230 WeakPolarHBondContact O-CB 3.47Å; A226-Q230 PolarHBondContact O-N 3.17Å; C227-Q230 PolarHBondContact O-N 3.24Å; Q230-H233 PolarHBondContact O-N 3.3Å; Q230-Q234 WeakPolarHBondContact O-CB 3.45Å; Q230-Q234 PolarHBondContact O-N 3.31Å
231Q73.9Confident67.6Low123 Ų123116.2 Ų116.258%0.57556%0.563SS**Hα-helixtrans-67.9-42.4177-176.9171.773.300112.3C227 Q228 Q229 Q234 Q235C227-Q231 VanDerWaalsContact O-CB 3.31Å; C227-Q231 WeakPolarHBondContact O-CB 3.33Å; C227-Q231 PolarHBondContact O-N 3.29Å; Q228-Q231 PolarHBondContact O-N 2.97Å; Q229-Q231 VanDerWaalsContact C-N 3.35Å; Q229-Q231 PolarHBondContact O-N 3.41Å; Q231-Q234 PolarHBondContact O-N 3.42Å; Q231-Q235 WeakPolarHBondContact O-CB 3.46Å; Q231-Q235 PolarHBondContact O-N 2.87Å
232Q71.8Confident69.2Low114 Ų114118.5 Ų118.553%0.53357%0.568SS.*Hα-helixtrans-62.8-43172.6-77.3-173.3-12.200111.5Q228 Q229 Q235 Q236Q228-Q232 WeakPolarHBondContact O-CG 3.12Å; Q228-Q232 PolarHBondContact O-N 2.92Å; Q229-Q232 PolarHBondContact O-N 2.98Å; Q232-Q235 PolarHBondContact O-N 2.87Å; Q232-Q236 WeakPolarHBondContact O-CB 3.35Å; Q232-Q236 PolarHBondContact O-N 3.47Å
233H74.4Confident70.8Confident111 Ų111120.2 Ų120.251%0.51457%0.573SS.*Hα-helixtrans-62-45.4176.2-175.169.3000111.6Q229 Q230 Q235 Q236 L237Q229-H233 WeakPolarHBondContact O-CB 3.37Å; Q229-H233 PolarHBondContact O-N 2.86Å; Q230-H233 PolarHBondContact O-N 3.3Å; H233-Q235 PolarHBondContact O-N 2.84Å; H233-Q236 PolarHBondContact O-N 3.26Å; H233-L237 WeakPolarHBondContact O-CB 3.48Å; H233-L237 PolarHBondContact O-N 3.37Å
234Q75.8Confident72.3Confident134 Ų134117.9 Ų117.963%0.62657%0.568SS**Hα-helixtrans-61.9-41.5175.8-176.3177.189.300112.2Q230 Q231 L237 Q238Q230-Q234 WeakPolarHBondContact O-CB 3.45Å; Q230-Q234 PolarHBondContact O-N 3.31Å; Q231-Q234 PolarHBondContact O-N 3.42Å; Q234-L237 WeakPolarHBondContact O-CB 3.47Å; Q234-L237 PolarHBondContact O-N 2.9Å; Q234-Q238 WeakPolarHBondContact O-CB 3.34Å; Q234-Q238 PolarHBondContact O-N 3.31Å
235Q77.5Confident73.7Confident128 Ų128115.5 Ų115.560%0.59856%0.564SS**Hα-helixtrans-65.7-40.1176.4-173.2174.796.600111.9Q231 Q232 H233 Q238 L239Q231-Q235 WeakPolarHBondContact O-CB 3.46Å; Q231-Q235 PolarHBondContact O-N 2.87Å; Q232-Q235 PolarHBondContact O-N 2.87Å; H233-Q235 PolarHBondContact O-N 2.84Å; Q235-Q238 PolarHBondContact O-N 3.42Å; Q235-L239 PolarHBondContact O-N 3Å
236Q77.6Confident74.7Confident133 Ų133115.5 Ų115.562%0.62156%0.562SS**Hα-helixtrans-64.6-39.7173.7-172.3179.396.800111.7Q232 H233 L239 Q240Q232-Q236 WeakPolarHBondContact O-CB 3.35Å; Q232-Q236 PolarHBondContact O-N 3.47Å; H233-Q236 PolarHBondContact O-N 3.26Å; Q236-L239 PolarHBondContact O-N 3.44Å; Q236-Q240 WeakPolarHBondContact O-CB 3.31Å; Q236-Q240 PolarHBondContact O-N 2.99Å
237L79.4Confident75.6Confident95 Ų95118.3 Ų118.350%0.49757%0.565SS.*Hα-helixtrans-63.8-41.9175.4-137.774.7000111.8H233 Q234 Q240 Q241H233-L237 WeakPolarHBondContact O-CB 3.48Å; H233-L237 PolarHBondContact O-N 3.37Å; Q234-L237 WeakPolarHBondContact O-CB 3.47Å; Q234-L237 PolarHBondContact O-N 2.9Å; L237-Q240 PolarHBondContact O-N 3.41Å; L237-Q241 PolarHBondContact O-N 3.41Å
238Q77.5Confident76.6Confident145 Ų145120 Ų12068%0.67857%0.565SS**Hα-helixtrans-65.2-41.6176.4-174169.259.500111.8Q234 Q235 Q240 Q241 Q242Q234-Q238 WeakPolarHBondContact O-CB 3.34Å; Q234-Q238 PolarHBondContact O-N 3.31Å; Q235-Q238 PolarHBondContact O-N 3.42Å; Q238-Q240 VanDerWaalsContact C-N 3.34Å; Q238-Q240 PolarHBondContact O-N 2.92Å; Q238-Q241 PolarHBondContact O-N 3.45Å; Q238-Q242 WeakPolarHBondContact O-CB 3.47Å; Q238-Q242 PolarHBondContact O-N 3.24Å
239L74.7Confident77.2Confident91 Ų91120.8 Ų120.848%0.47657%0.569SS.*Hα-helixtrans-64.2-38.8175.3-144.679.7000111.9Q235 Q236 Q243Q235-L239 PolarHBondContact O-N 3Å; Q236-L239 PolarHBondContact O-N 3.44Å; L239-Q243 WeakPolarHBondContact O-CB 3.34Å; L239-Q243 PolarHBondContact O-N 2.99Å
240Q78.4Confident77.5Confident125 Ų125117.1 Ų117.158%0.58455%0.552SS**Hα-helixtrans-65.9-41.5175.1-175.5171.9105.800111.9Q236 L237 Q238 Q243 Q244Q236-Q240 WeakPolarHBondContact O-CB 3.31Å; Q236-Q240 PolarHBondContact O-N 2.99Å; L237-Q240 PolarHBondContact O-N 3.41Å; Q238-Q240 VanDerWaalsContact C-N 3.34Å; Q238-Q240 PolarHBondContact O-N 2.92Å; Q240-Q243 PolarHBondContact O-N 2.9Å; Q240-Q244 WeakPolarHBondContact O-CB 3.5Å; Q240-Q244 PolarHBondContact O-N 2.85Å
241Q82.2Confident77.8Confident118 Ų118116.3 Ų116.355%0.55155%0.548SS*.Hα-helixtrans-66.3-40.8176.7-164.8-173.1110.800111.9L237 Q238 Q244 Q245L237-Q241 PolarHBondContact O-N 3.41Å; Q238-Q241 PolarHBondContact O-N 3.45Å; Q241-Q244 PolarHBondContact O-N 3.48Å; Q241-Q245 PolarHBondContact O-N 2.89Å
242Q78.9Confident78.2Confident125 Ų125116.6 Ų116.658%0.58455%0.549SS*.Hα-helixtrans-61.6-44.3174.6-177.6179.167.100111.7Q238 Q244 Q245 Q246Q238-Q242 WeakPolarHBondContact O-CB 3.47Å; Q238-Q242 PolarHBondContact O-N 3.24Å; Q242-Q244 VanDerWaalsContact C-N 3.3Å; Q242-Q244 PolarHBondContact O-N 2.82Å; Q242-Q245 PolarHBondContact O-N 3.29Å; Q242-Q246 PolarHBondContact O-N 3.39Å
243Q77.5Confident78.5Confident120 Ų120116.6 Ų116.656%0.56155%0.549SS*.Hα-helixtrans-63-36.7175.5-173.5171.791.700111.9L239 Q240 Q247L239-Q243 WeakPolarHBondContact O-CB 3.34Å; L239-Q243 PolarHBondContact O-N 2.99Å; Q240-Q243 PolarHBondContact O-N 2.9Å; Q243-Q247 WeakPolarHBondContact O-CB 3.33Å; Q243-Q247 PolarHBondContact O-N 3.44Å
244Q81.2Confident78.6Confident123 Ų123117 Ų11758%0.57555%0.551SS**Hα-helixtrans-68.4-40.1175.3-171.5172.147.800112.7Q240 Q241 Q242 Q247 Q248Q240-Q244 WeakPolarHBondContact O-CB 3.5Å; Q240-Q244 PolarHBondContact O-N 2.85Å; Q241-Q244 PolarHBondContact O-N 3.48Å; Q242-Q244 VanDerWaalsContact C-N 3.3Å; Q242-Q244 PolarHBondContact O-N 2.82Å; Q244-Q247 PolarHBondContact O-N 3.5Å; Q244-Q248 PolarHBondContact O-N 3.07Å
245Q81.6Confident78.8Confident117 Ų117115.5 Ų115.555%0.54755%0.547SS..Hα-helixtrans-62.7-44.6173-77.1-174.5-1.300111.9Q241 Q242 Q247 Q248 Q249Q241-Q245 PolarHBondContact O-N 2.89Å; Q242-Q245 PolarHBondContact O-N 3.29Å; Q245-Q247 VanDerWaalsContact C-N 3.28Å; Q245-Q247 PolarHBondContact O-N 3.11Å; Q245-Q248 PolarHBondContact O-N 2.99Å; Q245-Q248 VanDerWaalsContact O-N 3.17Å; Q245-Q249 PolarHBondContact O-N 3.43Å
246Q76.7Confident78.9Confident92 Ų92116.3 Ų116.343%0.4355%0.551SS.*Hα-helixtrans-61.8-37.9177.4-172.3174.482.400111.6Q242 Q249 Q250Q242-Q246 PolarHBondContact O-N 3.39Å; Q246-Q249 PolarHBondContact O-N 3.47Å; Q246-Q250 PolarHBondContact O-N 3.46Å
247Q77.1Confident78.8Confident118 Ų118111.8 Ų111.855%0.55153%0.531SS*.Hα-helixtrans-68.5-36.2175.3-163.2163.293.600112.4Q243 Q244 Q245 Q251Q243-Q247 WeakPolarHBondContact O-CB 3.33Å; Q243-Q247 PolarHBondContact O-N 3.44Å; Q244-Q247 PolarHBondContact O-N 3.5Å; Q245-Q247 VanDerWaalsContact C-N 3.28Å; Q245-Q247 PolarHBondContact O-N 3.11Å; Q247-Q251 PolarHBondContact O-N 2.99Å; Q247-Q251 VanDerWaalsContact O-N 3.12Å
248Q81.9Confident78.8Confident110 Ų110113.5 Ų113.551%0.51454%0.537SS..Hα-helixtrans-66.8-38.6169.7-77.1-172.6-6.100112.9Q244 Q245 Q251 Q252Q244-Q248 PolarHBondContact O-N 3.07Å; Q245-Q248 PolarHBondContact O-N 2.99Å; Q245-Q248 VanDerWaalsContact O-N 3.17Å; Q248-Q251 PolarHBondContact O-N 3.36Å; Q248-Q252 PolarHBondContact O-N 3.41Å
249Q79.5Confident79Confident136 Ų136111.3 Ų111.364%0.63653%0.526SS*.Hα-helixtrans-63-44.1175.4-93.1-174.2-3.900112Q245 Q246 Q251 Q252 Q253Q245-Q249 PolarHBondContact O-N 3.43Å; Q246-Q249 PolarHBondContact O-N 3.47Å; Q249-Q251 VanDerWaalsContact C-N 3.29Å; Q249-Q251 PolarHBondContact O-N 3.25Å; Q249-Q252 PolarHBondContact O-N 2.92Å; Q249-Q253 PolarHBondContact O-N 3.38Å
250Q75.9Confident79.3Confident65 Ų65110.9 Ų110.930%0.30452%0.522SS..Hα-helixtrans-59.4-40.7172.9-74.2-178.5-9.600111.7Q246 Q253 Q254Q246-Q250 PolarHBondContact O-N 3.46Å; Q250-Q253 PolarHBondContact O-N 3.2Å; Q250-Q254 WeakPolarHBondContact O-CB 3.45Å; Q250-Q254 PolarHBondContact O-N 3.49Å
251Q80.2Confident79.3Confident120 Ų120108.6 Ų108.656%0.56151%0.511SS*.Hα-helixtrans-65.5-41.3176.8-130.8172.862.200112.3Q247 Q248 Q249 Q254 L255Q247-Q251 PolarHBondContact O-N 2.99Å; Q247-Q251 VanDerWaalsContact O-N 3.12Å; Q248-Q251 PolarHBondContact O-N 3.36Å; Q249-Q251 VanDerWaalsContact C-N 3.29Å; Q249-Q251 PolarHBondContact O-N 3.25Å; Q251-Q254 PolarHBondContact O-N 2.87Å; Q251-L255 WeakPolarHBondContact O-CB 3.32Å; Q251-L255 WeakPolarHBondContact O-CG 3.4Å; Q251-L255 PolarHBondContact O-N 2.96Å
252Q82.6Confident79.3Confident128 Ų128109 Ų10960%0.59851%0.513SS*.Hα-helixtrans-66.4-41.1175.1-74.9-174.747.300112.4Q248 Q249 Q254 L255 Q256Q248-Q252 PolarHBondContact O-N 3.41Å; Q249-Q252 PolarHBondContact O-N 2.92Å; Q252-Q254 VanDerWaalsContact C-N 3.34Å; Q252-Q254 PolarHBondContact O-N 3.24Å; Q252-L255 PolarHBondContact O-N 3.35Å; Q252-Q256 VanDerWaalsContact O-CB 3.26Å; Q252-Q256 WeakPolarHBondContact O-CB 3.3Å; Q252-Q256 PolarHBondContact O-N 3.35Å
253Q77.1Confident79.4Confident114 Ų114107.3 Ų107.353%0.53351%0.505SS..Hα-helixtrans-61-43.3172.5-78.8-174-17.200111.5Q249 Q250 Q256 L257Q249-Q253 PolarHBondContact O-N 3.38Å; Q250-Q253 PolarHBondContact O-N 3.2Å; Q253-Q256 PolarHBondContact O-N 2.88Å; Q253-L257 WeakPolarHBondContact O-CB 3.46Å; Q253-L257 PolarHBondContact O-N 3.04Å
254Q76.5Confident79.2Confident119 Ų119103.9 Ų103.956%0.55649%0.489SS*.Hα-helixtrans-65.4-39.9179-168.3173.99600112.3Q250 Q251 Q252 Q258Q250-Q254 WeakPolarHBondContact O-CB 3.45Å; Q250-Q254 PolarHBondContact O-N 3.49Å; Q251-Q254 PolarHBondContact O-N 2.87Å; Q252-Q254 VanDerWaalsContact C-N 3.34Å; Q252-Q254 PolarHBondContact O-N 3.24Å; Q254-Q258 WeakPolarHBondContact O-CB 3.27Å; Q254-Q258 PolarHBondContact O-N 3.33Å
255L80.2Confident78.9Confident103 Ų103103.8 Ų103.854%0.53949%0.488SS..Hα-helixtrans-65.1-43.9172.4-77.2163.9000112.2Q251 Q252 L257 Q258 H259Q251-L255 WeakPolarHBondContact O-CB 3.32Å; Q251-L255 WeakPolarHBondContact O-CG 3.4Å; Q251-L255 PolarHBondContact O-N 2.96Å; Q252-L255 PolarHBondContact O-N 3.35Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.96Å; L255-Q258 PolarHBondContact O-N 2.94Å; L255-H259 WeakPolarHBondContact O-CB 3.28Å; L255-H259 PolarHBondContact O-N 3.42Å
256Q80.5Confident78.9Confident146 Ų146104 Ų10468%0.68249%0.489SS*.Hα-helixtrans-64.5-37.5177.7-174.8169.872.400111.7Q252 Q253 H259 Q260Q252-Q256 VanDerWaalsContact O-CB 3.26Å; Q252-Q256 WeakPolarHBondContact O-CB 3.3Å; Q252-Q256 PolarHBondContact O-N 3.35Å; Q253-Q256 PolarHBondContact O-N 2.88Å; Q256-H259 PolarHBondContact O-N 2.92Å; Q256-Q260 WeakPolarHBondContact O-CB 3.33Å; Q256-Q260 PolarHBondContact O-N 3.03Å
257L74.7Confident79Confident38 Ų38105.2 Ų105.220%0.19950%0.495CS..Hα-helixtrans-70.3-38.3175.1-164.572.4000112.5Q253 L255 Q260 Q261Q253-L257 WeakPolarHBondContact O-CB 3.46Å; Q253-L257 PolarHBondContact O-N 3.04Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.96Å; L257-Q260 PolarHBondContact O-N 2.92Å; L257-Q261 WeakPolarHBondContact O-CG 3.44Å; L257-Q261 PolarHBondContact O-N 3.39Å
258Q78.9Confident78.7Confident131 Ų131103.3 Ų103.361%0.61249%0.486SS*.Hα-helixtrans-63-43.9172.4-177.5-179.189.200110.9Q254 L255 Q261 Q262Q254-Q258 WeakPolarHBondContact O-CB 3.27Å; Q254-Q258 PolarHBondContact O-N 3.33Å; L255-Q258 PolarHBondContact O-N 2.94Å; Q258-Q261 PolarHBondContact O-N 2.83Å; Q258-Q262 WeakPolarHBondContact O-CB 2.95Å; Q258-Q262 PolarHBondContact O-N 2.97Å
259H83.6Confident78.4Confident99 Ų99103.3 Ų103.346%0.45849%0.486SS..Hα-helixtrans-66.1-39.7176.9-170.964.8000112.3L255 Q256 Q262 Q263L255-H259 WeakPolarHBondContact O-CB 3.28Å; L255-H259 PolarHBondContact O-N 3.42Å; Q256-H259 PolarHBondContact O-N 2.92Å; H259-Q262 PolarHBondContact O-N 2.98Å; H259-Q263 PolarHBondContact CD2-NE2 2.97Å; H259-Q263 PolarHBondContact NE2-NE2 3.45Å; H259-Q263 WeakPolarHBondContact O-CG 3.48Å; H259-Q263 PolarHBondContact O-N 2.92Å
260Q79.4Confident78.2Confident81 Ų81102.9 Ų102.938%0.37948%0.484SS..Hα-helixtrans-62.3-45.2174.4-175.8-179.982.300111.9Q256 L257 Q262 Q263 Q264Q256-Q260 WeakPolarHBondContact O-CB 3.33Å; Q256-Q260 PolarHBondContact O-N 3.03Å; L257-Q260 PolarHBondContact O-N 2.92Å; Q260-Q262 VanDerWaalsContact C-N 3.33Å; Q260-Q262 PolarHBondContact O-N 3.37Å; Q260-Q263 PolarHBondContact O-N 3.32Å; Q260-Q264 WeakPolarHBondContact O-CG 3.43Å; Q260-Q264 PolarHBondContact O-N 3.5Å
261Q78.5Confident77.8Confident77 Ų77103.1 Ų103.136%0.3649%0.485SS..Hα-helixtrans-62.2-39.6174.1-77.6-177.68700112.1L257 Q258 Q264 H265L257-Q261 WeakPolarHBondContact O-CG 3.44Å; L257-Q261 PolarHBondContact O-N 3.39Å; Q258-Q261 PolarHBondContact O-N 2.83Å; Q261-Q264 PolarHBondContact O-N 3.38Å; Q261-H265 PolarHBondContact O-N 3.26Å
262Q82.2Confident77.3Confident127 Ų127102.8 Ų102.859%0.59348%0.483SS*.Hα-helixtrans-64.7-42.1176.4-173.7173.866.700112Q258 H259 Q260 H265 Q266Q258-Q262 WeakPolarHBondContact O-CB 2.95Å; Q258-Q262 PolarHBondContact O-N 2.97Å; H259-Q262 PolarHBondContact O-N 2.98Å; Q260-Q262 VanDerWaalsContact C-N 3.33Å; Q260-Q262 PolarHBondContact O-N 3.37Å; Q262-H265 PolarHBondContact O-N 3.33Å; Q262-Q266 WeakPolarHBondContact O-CB 3.34Å; Q262-Q266 PolarHBondContact O-N 3.24Å
263Q81.1Confident76.7Confident89 Ų89102 Ų10242%0.41648%0.479SS..Hα-helixtrans-62.2-42.5172.1-72.9-169.320.200111.9H259 Q260 Q266 Q267H259-Q263 PolarHBondContact CD2-NE2 2.97Å; H259-Q263 PolarHBondContact NE2-NE2 3.45Å; H259-Q263 WeakPolarHBondContact O-CG 3.48Å; H259-Q263 PolarHBondContact O-N 2.92Å; Q260-Q263 PolarHBondContact O-N 3.32Å; Q263-Q266 PolarHBondContact O-N 3.46Å; Q263-Q267 WeakPolarHBondContact O-CG 3.48Å; Q263-Q267 PolarHBondContact O-N 3.37Å
264Q73.5Confident76.1Confident49 Ų49102.2 Ų102.223%0.22948%0.48CS..Hα-helixtrans-64.5-40.4178-74.9171-11.800112.2Q260 Q261 Q266 Q267 Q268Q260-Q264 WeakPolarHBondContact O-CG 3.43Å; Q260-Q264 PolarHBondContact O-N 3.5Å; Q261-Q264 PolarHBondContact O-N 3.38Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q264-Q267 PolarHBondContact O-N 3.36Å; Q264-Q268 PolarHBondContact O-N 3.42Å
265H76.3Confident75.4Confident120 Ų12099.9 Ų99.956%0.55647%0.47SS*.Hα-helixtrans-61.5-42.1171.9-120.874.9000111.9Q261 Q262 Q268 H269Q261-H265 PolarHBondContact O-N 3.26Å; Q262-H265 PolarHBondContact O-N 3.33Å; H265-Q268 PolarHBondContact O-N 2.95Å; H265-H269 PolarHBondContact O-CD2 2.9Å; H265-H269 PolarHBondContact O-N 3Å
266Q80.5Confident74.3Confident121 Ų121101 Ų10157%0.56547%0.472SS*.Hα-helixtrans-69.7-34.1179.2-166.3169.989.600112.4Q262 Q263 Q264 Q270Q262-Q266 WeakPolarHBondContact O-CB 3.34Å; Q262-Q266 PolarHBondContact O-N 3.24Å; Q263-Q266 PolarHBondContact O-N 3.46Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q266-Q270 WeakPolarHBondContact O-CG 3.41Å; Q266-Q270 PolarHBondContact O-N 3.2Å
267Q78.3Confident73.2Confident119 Ų119100.4 Ų100.456%0.55647%0.469SS*.Hα-helixtrans-68.7-41.3171.2-73.4178.230.400112Q263 Q264 H269 Q270 H271Q263-Q267 WeakPolarHBondContact O-CG 3.48Å; Q263-Q267 PolarHBondContact O-N 3.37Å; Q264-Q267 PolarHBondContact O-N 3.36Å; Q267-H269 PolarHBondContact O-N 2.9Å; Q267-Q270 PolarHBondContact O-N 2.89Å; Q267-H271 WeakPolarHBondContact O-CB 3.43Å; Q267-H271 PolarHBondContact O-N 3.45Å
268Q72.4Confident72.1Confident78 Ų78105.2 Ų105.236%0.36449%0.49SS..Hα-helixtrans-60.7-44.1173.3-76.9-176.6500111.7Q264 H265 H271 Q272Q264-Q268 PolarHBondContact O-N 3.42Å; H265-Q268 PolarHBondContact O-N 2.95Å; Q268-H271 PolarHBondContact O-N 2.96Å; Q268-Q272 VanDerWaalsContact O-CB 3.27Å; Q268-Q272 WeakPolarHBondContact O-CB 3.49Å; Q268-Q272 PolarHBondContact O-N 3.04Å
269H75.6Confident70.6Confident110 Ų110103.5 Ų103.551%0.50949%0.493SS..Hα-helixtrans-62.6-43.3174.3-87.5-61.7000113.1H265 Q267 Q272 H273H265-H269 PolarHBondContact O-CD2 2.9Å; H265-H269 PolarHBondContact O-N 3Å; Q267-H269 PolarHBondContact O-N 2.9Å; H269-Q272 PolarHBondContact O-N 3.46Å; H269-H273 PolarHBondContact O-N 3.33Å
270Q74.5Confident69Low126 Ų126104.2 Ų104.259%0.58950%0.499SS*.Hα-helixtrans-63.6-43.7175.8-78.6-172.854.300112.1Q266 Q267 H273 Q274Q266-Q270 WeakPolarHBondContact O-CG 3.41Å; Q266-Q270 PolarHBondContact O-N 3.2Å; Q267-Q270 PolarHBondContact O-N 2.89Å; Q270-H273 PolarHBondContact O-N 2.94Å; Q270-Q274 WeakPolarHBondContact O-CB 3.17Å; Q270-Q274 PolarHBondContact O-N 3.32Å
271H68.2Low67.3Low70 Ų70108.9 Ų108.932%0.32452%0.521SS..Hα-helixtrans-68.2-36.5-179.7-163.279.5000111.9Q267 Q268 Q274 Q275 Q586Q267-H271 WeakPolarHBondContact O-CB 3.43Å; Q267-H271 PolarHBondContact O-N 3.45Å; Q268-H271 PolarHBondContact O-N 2.96Å; H271-Q274 PolarHBondContact O-N 2.99Å; H271-Q275 PolarHBondContact NE2-NE2 2.7Å; H271-Q275 WeakPolarHBondContact O-CG 3.31Å; H271-Q275 PolarHBondContact O-N 3.09Å; H271-Q586 PolarHBondContact CD2-NE2 3.26Å
272Q68.7Low65.4Low114 Ų114112.9 Ų112.953%0.53354%0.544SS..Hα-helixtrans-64.8-40.9172.3-174.1173.887.400112Q268 H269 Q276Q268-Q272 VanDerWaalsContact O-CB 3.27Å; Q268-Q272 WeakPolarHBondContact O-CB 3.49Å; Q268-Q272 PolarHBondContact O-N 3.04Å; H269-Q272 PolarHBondContact O-N 3.46Å; Q272-Q276 WeakPolarHBondContact O-CG 3.37Å; Q272-Q276 PolarHBondContact O-N 3.02Å
273H70.6Confident63.7Low110 Ų110113.1 Ų113.151%0.50956%0.557SS.*Hα-helixtrans-63.8-40170.3-106.1-65.1000112.3H269 Q270 Q276 H277H269-H273 PolarHBondContact O-N 3.33Å; Q270-H273 PolarHBondContact O-N 2.94Å; H273-Q276 WeakPolarHBondContact O-CB 3.4Å; H273-Q276 PolarHBondContact O-N 3.39Å; H273-H277 PolarHBondContact O-CD2 3Å; H273-H277 VanDerWaalsContact O-CD2 3.29Å; H273-H277 PolarHBondContact O-N 3.35Å
274Q64.4Low61.8Low119 Ų119115.8 Ų115.856%0.55658%0.579SS**Hα-helixtrans-70.5-37.1-177.3-166.8157.970.800111.9Q270 H271 Q276 H277 Q278Q270-Q274 WeakPolarHBondContact O-CB 3.17Å; Q270-Q274 PolarHBondContact O-N 3.32Å; H271-Q274 PolarHBondContact O-N 2.99Å; Q274-Q276 VanDerWaalsContact C-N 3.3Å; Q274-Q276 PolarHBondContact O-N 2.94Å; Q274-H277 PolarHBondContact O-N 3.22Å; Q274-Q278 VanDerWaalsContact O-CB 3.26Å; Q274-Q278 WeakPolarHBondContact O-CB 3.41Å; Q274-Q278 PolarHBondContact O-N 2.88Å
275Q61.8Low60.1Low71 Ų71123 Ų12333%0.33261%0.613SS.*Hα-helixtrans-62.6-34.4169-74.3-177.2-8.500112.5H271 H277H271-Q275 PolarHBondContact NE2-NE2 2.7Å; H271-Q275 WeakPolarHBondContact O-CG 3.31Å; H271-Q275 PolarHBondContact O-N 3.09Å; Q275-H277 VanDerWaalsContact C-N 3.34Å
276Q57.6Low58.4Low126 Ų126121.1 Ų121.159%0.58963%0.626SS**Hα-helixtrans-70.3-27.1173.3-72.1-179.510.900113.5Q272 H273 Q274 S279Q272-Q276 WeakPolarHBondContact O-CG 3.37Å; Q272-Q276 PolarHBondContact O-N 3.02Å; H273-Q276 WeakPolarHBondContact O-CB 3.4Å; H273-Q276 PolarHBondContact O-N 3.39Å; Q274-Q276 VanDerWaalsContact C-N 3.3Å; Q274-Q276 PolarHBondContact O-N 2.94Å; Q276-S279 PolarHBondContact O-OG 3.45Å; Q276-S279 VanDerWaalsContact O-OG 3.14Å
277H56Low56.4Low133 Ų133118.7 Ų118.762%0.61663%0.634SS**Hα-helixtrans-87.8-34.9176.4-81.4-69.8000113.7H273 Q274 Q275 S279 L280H273-H277 PolarHBondContact O-CD2 3Å; H273-H277 VanDerWaalsContact O-CD2 3.29Å; H273-H277 PolarHBondContact O-N 3.35Å; Q274-H277 PolarHBondContact O-N 3.22Å; Q275-H277 VanDerWaalsContact C-N 3.34Å; H277-S279 PolarHBondContact O-N 3Å; H277-L280 PolarHBondContact O-N 2.91Å
278Q52.7Low54.6Low140 Ų140122.4 Ų122.465%0.65465%0.651SS**Hα-helixtrans-76.8-6.4-173.4-166.8166.182.700113.8Q274 L280Q274-Q278 VanDerWaalsContact O-CB 3.26Å; Q274-Q278 WeakPolarHBondContact O-CB 3.41Å; Q274-Q278 PolarHBondContact O-N 2.88Å; Q278-L280 PolarHBondContact O-N 3.29Å
279S46.5Very low53Low94 Ų94123.5 Ų123.566%0.65767%0.674SS**THydrogen-bonded Turntrans-70-616356.90000113.2Q276 H277Q276-S279 PolarHBondContact O-OG 3.45Å; Q276-S279 VanDerWaalsContact O-OG 3.14Å; H277-S279 PolarHBondContact O-N 3Å
280L49.4Very low51.3Low114 Ų114122.3 Ų122.360%0.59769%0.691SS**SBendtrans-118.1127.9169.1-7180.1000110.3H277 Q278H277-L280 PolarHBondContact O-N 2.91Å; Q278-L280 PolarHBondContact O-N 3.29Å
281Q44.4Very low49.8Very low179 Ų179120.1 Ų120.184%0.83670%0.702SS**  trans95.2123.7168.4-54.2159.237.800117.3
282L38.8Very low48.6Very low162 Ų162123.7 Ų123.785%0.84873%0.729SS**  trans-108.7140.7165.5-71.774.7000109.1
283P47.2Very low47.3Very low131 Ų131122.8 Ų122.885%0.85174%0.74SS**  trans-117.6161.1166.837.8-27.7000113.8
284T41.4Very low45.9Very low145 Ų145122.6 Ų122.689%0.8976%0.758SS**  trans-108.4144.4-177.4-30.80000111.4
285E36.3Very low44.7Very low201 Ų201125.3 Ų125.394%0.93977%0.77SS**  trans-83.3155.1176.9-71.8-157.1132.200114.7
286G41Very low43.7Very low81 Ų81132.6 Ų132.684%0.83580%0.795SS**  trans-173.1138.9164.600000110
287G39.1Very low43Very low70 Ų70138 Ų13872%0.72281%0.812SS**  trans-159.1178.1-18000000112.2
288Q39.8Very low42.2Very low196 Ų196135.3 Ų135.392%0.91682%0.819SS**  trans177.3146.2154.4-105.4171.426.300115.1
289A38.6Very low41.8Very low102 Ų102140 Ų14084%0.84383%0.833SS**  trans67.2128.7139.300000124
290G41.1Very low41.4Very low85 Ų85138.6 Ų138.688%0.87683%0.833SS**  trans132.1128.1135.300000117.9
291G43.3Very low41.1Very low80 Ų80139.1 Ų139.183%0.82585%0.846SS**  trans125.277154.300000119.4
292V42.3Very low41Very low145 Ų145136.9 Ų136.988%0.87985%0.845SS**  trans-30.1149.5165.3-77.20000121
293A41.3Very low41.4Very low94 Ų94134.8 Ų134.878%0.77784%0.841SS**  trans110.9112.1133.500000122.1
294A40.3Very low41.1Very low106 Ų106132.9 Ų132.988%0.87683%0.831SS**  trans74.4147.7140.700000121.6
295E39.6Very low41Very low176 Ų176133.7 Ų133.782%0.82283%0.829SS**  trans-102.9142.9-168.6-48.1170.6123.900113.4
296R40.9Very low41.4Very low225 Ų225128.3 Ų128.385%0.84982%0.819SS**  174.9125.3109-93.8177.6-171.1-144.21.9113.3
297Y43.1Very low41.4Very low240 Ų240130.4 Ų130.494%0.94182%0.818SS**  trans17.8119.3151.7-73.2-91.4000120.9
298G39.7Very low41.4Very low75 Ų75134.7 Ų134.777%0.77382%0.823SS**  trans155.993.7152.500000116.3
299Y44.1Very low41.8Very low240 Ų240130.2 Ų130.294%0.94181%0.811SS**  trans-61.9148.6162.5-66.5-100.5000109.5
300G37.7Very low41.7Very low64 Ų64131.7 Ų131.766%0.6681%0.81SS**  cis105.6121.923.600000109.4
301S44.1Very low41.6Very low124 Ų124132.2 Ų132.287%0.86781%0.806SS**  cis-152.31606.8-63.10000112.8
302T40.6Very low41.5Very low132 Ų132134.3 Ų134.381%0.8181%0.808SS**  trans-93.7-168.3166.5560000109.7
303P48.5Very low41.3Very low118 Ų118131.8 Ų131.877%0.76680%0.802SS**  cis-122.3-155.6-6.235.6-11.9000111.5
304S40.1Very low41.3Very low92 Ų92137 Ų13764%0.64381%0.81SS**  cis-163.9155.417.1-153.40000114.3
305L39.8Very low41.2Very low161 Ų161141.3 Ų141.384%0.84381%0.809SS**  trans10.3149.2144.9-53.5174.8000120.9
306A44.4Very low41.1Very low89 Ų89143.6 Ų143.674%0.73682%0.817SS**  cis-158.1-133.1-10.800000112
307P40.7Very low40.9Very low124 Ų124136.3 Ų136.381%0.80581%0.812SS**  -117.7179.8-128.636.2-16.5000119.4
308L38.6Very low40.7Very low161 Ų161130.5 Ų130.584%0.84381%0.806SS**  trans-51174.5175-88.276.5000117
309P48.6Very low40.6Very low101 Ų101133.5 Ų133.566%0.65681%0.81SS**  cis-140.2-174.8-5.124.81000117.4
310T37.2Very low40.6Very low133 Ų133127.7 Ų127.782%0.81680%0.799SS**  trans106.3138.214871.30000120.8
311A39.3Very low40.6Very low96 Ų96130.4 Ų130.479%0.79380%0.799SS**  trans32.9122.9162.100000119.4
312S40Very low40.3Very low125 Ų125133.2 Ų133.287%0.87480%0.803SS**  -169.7-174.555.454.70000113.6
313A38.7Very low40.2Very low91 Ų91136.6 Ų136.675%0.75280%0.801SS**  trans-60.7146.3-162.300000118
314Q41.1Very low39.7Very low203 Ų203140.1 Ų140.195%0.94981%0.807SS**  -157.7160.7108.8-105.7174.36.600112.1
315K39.1Very low39.6Very low197 Ų197144.4 Ų144.486%0.85782%0.822SS**  trans-116135.2-172-64.4175.7178.6176.30111.7
316F37.3Very low39.5Very low225 Ų225141.4 Ų141.499%0.98782%0.82SS**  trans-176.8140.6142.3-96.8-70000107.1
317G35.5Very low39.2Very low71 Ų71142 Ų14273%0.73282%0.824SS**  cis177.8132.4-10.800000108.8
318S40.6Very low39.2Very low119 Ų119147.9 Ų147.983%0.83283%0.831SS**  trans-142.2142179-173.70000110.1
319T37.1Very low39.3Very low137 Ų137152.3 Ų152.384%0.8484%0.836SS**  trans-129.6120-169.558.90000111.7
320T42.9Very low39Very low118 Ų118158.9 Ų158.972%0.72485%0.848SS**  trans-142.9151.1173.3-35.40000110
321D38.7Very low38.8Very low122 Ų122159.9 Ų159.965%0.65285%0.848SS**  trans58.293.3168.2-69.6-57.3000119.6
322L36.8Very low38.8Very low182 Ų182164.8 Ų164.895%0.95385%0.854SS**  trans-85.2106149.7-8474.5000109.3
323R39.6Very low38.5Very low204 Ų204169.7 Ų169.777%0.7785%0.854SS**  trans-148.823.4170.3-143-168.3-63.1-161.82.4117.7
324H37.8Very low38.4Very low191 Ų191172.7 Ų172.788%0.88486%0.856SS**  trans-137.597.4172.3-77.4-73.4000112.3
325L38.9Very low38.3Very low183 Ų183169.9 Ų169.996%0.95885%0.847SS**  trans-153.352.7169.6-125.7162.8000112.6
326A36.2Very low38Very low97 Ų97167.4 Ų167.480%0.80284%0.838SS**  trans-140.9153.2166.800000109.7
327A37.8Very low37.9Very low101 Ų101167.1 Ų167.184%0.83583%0.831SS**SBendtrans63.974.317700000117.8
328R42.5Very low37.8Very low249 Ų249169.2 Ų169.294%0.9483%0.833SS**  trans-178.2115.7136.1-106.3174.1176.4-160.5-0.7112.3
329R38.9Very low37.6Very low253 Ų253168.1 Ų168.196%0.95583%0.825SS**  -157.1147116.2-77.7-136.2173.1-151.3-3.6108.8
330R42.4Very low37.6Very low240 Ų240168.2 Ų168.291%0.90682%0.821SS**  trans-94.2161.1177.8-102.1-179.5162.8114-6.4110.3
331N33.4Very low37.3Very low153 Ų153171.4 Ų171.482%0.81883%0.827SS**  trans-37.5140.5168.2-49.3-19000113.5
332H39.1Very low37.4Very low199 Ų199173.8 Ų173.892%0.92184%0.84SS**  trans-136.5144.5148.3-110.9-88.7000109.2
333R35.2Very low37.3Very low229 Ų229169.2 Ų169.286%0.86483%0.829SS**  trans-119.4118.6-172.1177.9-162.7-156.3-175.18.8107.9
334L36.7Very low37.5Very low153 Ų153167.5 Ų167.580%0.80183%0.834SS**  trans-174.9151.6146.2-123.368.1000111.3
335L37.7Very low37.2Very low144 Ų144164.3 Ų164.375%0.75483%0.828SS**  trans-0.3149.2149.2-52166.7000117.5
336Q32.9Very low37.2Very low145 Ų145163.9 Ų163.968%0.67883%0.826SS**  cis-172.1145.737.4-156.4166.92.500114.4
337R35.3Very low36.9Very low220 Ų220166.8 Ų166.883%0.8383%0.828SS**  trans67.2148.6149.9-88.8173.3-175.11760.5123.7
338C34.2Very low36.9Very low115 Ų115169.1 Ų169.178%0.77783%0.825SS**  trans8989.4164.3-57.60000116.2
339S35.7Very low36.8Very low95 Ų95164.1 Ų164.166%0.66482%0.817SS**  cis95.8116.848.569.60000113.3
340N37Very low36.5Very low140 Ų140157.1 Ų157.175%0.74981%0.806SS**  17992.2129.2-90.97.7000109.4
341E36.1Very low36.3Very low185 Ų185153 Ų15386%0.86481%0.808SS**  trans-118112.2168.8-27.1-68.2127.300107.6
342D41.4Very low36.5Very low171 Ų171149.2 Ų149.291%0.91481%0.805SS**  trans-96.7139.9172.3-87.1-54.3000110.5
343A34.9Very low36.3Very low87 Ų87145 Ų14572%0.71980%0.798SS**  trans-98.1142.3-166.300000113.7
344L42.8Very low36.6Very low168 Ų168142.8 Ų142.888%0.8880%0.797SS**  trans-132.384.3159.8-76.3-179.5000111.3
345T31.2Very low36.8Very low123 Ų123141.6 Ų141.676%0.75579%0.792SS**  trans20.7120134.255.10000119
346L40.2Very low37Very low174 Ų174146.2 Ų146.291%0.91180%0.799SS**  trans-15286141.2-147171.6000110.2
347D30.3Very low37.6Very low159 Ų159144.1 Ų144.185%0.8580%0.798SS**  trans-148.696.5175.8-168.18.9000109.6
348L36.7Very low37.9Very low149 Ų149141.3 Ų141.378%0.7880%0.8SS**  trans-164.9106.8174.9-15678.1000112
349L40Very low38.2Very low145 Ų145139.1 Ų139.176%0.75980%0.796SS**  167.1104.5116.6-87.6174.1000112.8
350S32.4Very low38.4Very low106 Ų106139.5 Ų139.574%0.74181%0.805SS**  trans4797.3133-52.60000120.8
351T39.5Very low38.6Very low154 Ų154138.2 Ų138.295%0.94581%0.807SS**  -132.7140.112341.70000109.2
352G36.5Very low39Very low73 Ų73133.2 Ų133.275%0.75379%0.792SS**  trans-132151.9-175.100000112.6
353S36.2Very low39.1Very low111 Ų111134.3 Ų134.378%0.77679%0.789SS**  trans13.5119.8163.7-51.20000119.9
354H41.1Very low39.5Very low181 Ų181135.3 Ų135.384%0.83879%0.791SS**  -157.8170.399.1-115.6-59.9000113.1
355D40.5Very low39.6Very low129 Ų129133.2 Ų133.269%0.6979%0.79SS**  trans-85.5164.6-155.8-54.7-104000116.1
356R41.6Very low40Very low240 Ų240130.4 Ų130.491%0.90679%0.786SS**  trans-112.3141.3142.1-56.6-178.470-1632.3106.5
357P46.7Very low40.1Very low101 Ų101128.5 Ų128.566%0.65678%0.781SS**  -147.1-170.19340-23.9000115
358D41.8Very low40.8Very low162 Ų162126.6 Ų126.687%0.86678%0.775SS**  trans74.5154162.4-59-22.9000119.2
359G39.1Very low41.1Very low68 Ų68126.5 Ų126.570%0.70178%0.781SS**  cis17390.7-9.100000116.4
360A40.1Very low41Very low104 Ų104122.9 Ų122.986%0.8678%0.778SS**  trans63.3164.6160.400000120.3
361S41.3Very low41.4Very low113 Ų113123.3 Ų123.379%0.7978%0.781SS**  trans74.4144.2167.4-144.20000117.1
362S45.8Very low41.6Very low79 Ų79120.2 Ų120.255%0.55277%0.766SS**  cis-171.4137.2-22.3-94.70000110.1
363K42.6Very low41.7Very low195 Ų195123.4 Ų123.485%0.84877%0.766SS**  trans65.9161.7153.1-59.8162-168.8173.70114.9
364S44.3Very low42.5Very low108 Ų108125.4 Ų125.476%0.75577%0.767SS**  cis-158173.1-5.928.30000110.1
365S43.2Very low42.8Very low123 Ų123122.8 Ų122.886%0.8676%0.764SS**  trans0.9144.4155.4-42.30000120.6
366G40.3Very low43Very low64 Ų64122.5 Ų122.566%0.6677%0.769SS**  cis149.9157.3-5.600000114.7
367T42.8Very low43Very low134 Ų134115.6 Ų115.682%0.82276%0.757SS**  trans71.7149.1150.2-22.10000120.8
368V43.6Very low42.9Very low120 Ų120116.7 Ų116.773%0.72777%0.765SS**  trans67.1103.6160.2-98.30000122.6
369V43.4Very low43.3Very low147 Ų147113.8 Ų113.889%0.89176%0.757SS**  trans55.4137.4137.2-58.70000124.1
370G39.1Very low44.1Very low68 Ų68115.2 Ų115.270%0.70175%0.748SS**  trans156.9106.7168.700000107.5
371S39.4Very low45.1Very low116 Ų116115.1 Ų115.181%0.81174%0.741SS**  65.8116.465.3-1710000111.7
372S44.2Very low46.5Very low88 Ų88111.7 Ų111.762%0.61572%0.724SS**  cis-157.1176.1-6.3-70.50000110.5
373D39.7Very low48.1Very low141 Ų141112.5 Ų112.575%0.75472%0.721SS**  trans70.9131.3140.5-70.8-39.5000122.4
374L52.3Low50.1Low153 Ų153106.4 Ų106.480%0.80170%0.703SS**  trans66.693.3146.8-60.6165.5000119.8
375T47.7Very low52Low125 Ų125108.2 Ų108.277%0.76770%0.699SS**  -175.3128.4112.620.60000112.3S377T375-S377 PolarHBondContact O-N 3.47Å
376P44.9Very low54.3Low124 Ų124108 Ų10881%0.80569%0.688SS**  trans-90.992.516933.9-29.5000110.5P378P376-P378 WeakPolarHBondContact O-CD 3.17Å
377S40.6Very low56.6Low94 Ų94109.5 Ų109.566%0.65768%0.678SS**  trans-79.8118-178.4-63.80000112.4T375 S379T375-S377 PolarHBondContact O-N 3.47Å; S377-S379 PolarHBondContact O-N 3.1Å; S377-S379 VanDerWaalsContact O-N 3.16Å
378P46Very low58.9Low125 Ų125105.8 Ų105.881%0.81266%0.661SS**  trans-85.986.3-175.633.8-33.8000111.7P376P376-P378 WeakPolarHBondContact O-CD 3.17Å
379S49.6Very low61.2Low100 Ų100102.4 Ų102.470%0.69965%0.645SS**  trans-146.50.3179.6-53.50000116.6S377 S381S377-S379 PolarHBondContact O-N 3.1Å; S377-S379 VanDerWaalsContact O-N 3.16Å; S379-S381 PolarHBondContact O-N 2.99Å
380D56.1Low63.6Low99 Ų99100.9 Ų100.953%0.52963%0.632SS.*THydrogen-bonded Turntrans-80.7-11.2-173.5-165.436.8000114.8G382 I383 S384D380-G382 VanDerWaalsContact C-N 3.29Å; D380-G382 PolarHBondContact O-N 3.48Å; D380-I383 PolarHBondContact O-N 3.36Å; D380-I383 VanDerWaalsContact O-N 3.11Å; D380-S384 PolarHBondContact O-N 2.93Å; D380-S384 VanDerWaalsContact O-N 3.15Å
381S59.5Low66.2Low101 Ų101103.7 Ų103.771%0.70663%0.625SS**Hα-helixtrans-58.7-35.1-172.7-52.20000114.2S379 E385S379-S381 PolarHBondContact O-N 2.99Å; S381-E385 PolarHBondContact O-N 3.44Å
382G72.3Confident68.7Low41 Ų41102.9 Ų102.942%0.42361%0.611SS.*Hα-helixtrans-76-30.9178.500000113.7D380 E385 L386D380-G382 VanDerWaalsContact C-N 3.29Å; D380-G382 PolarHBondContact O-N 3.48Å; G382-E385 PolarHBondContact O-N 2.71Å; G382-L386 WeakPolarHBondContact O-CG 3.3Å; G382-L386 PolarHBondContact O-N 3.46Å
383I78.9Confident71.1Confident96 Ų96104.1 Ų104.149%0.49260%0.602SS.*Hα-helixtrans-70.3-43.1177.2-63.4170.5000109.4D380 E385 L386 E387D380-I383 PolarHBondContact O-N 3.36Å; D380-I383 VanDerWaalsContact O-N 3.11Å; I383-E385 VanDerWaalsContact C-N 3.3Å; I383-E385 PolarHBondContact O-N 3.18Å; I383-L386 PolarHBondContact O-N 3.24Å; I383-E387 WeakPolarHBondContact O-CB 3.31Å; I383-E387 PolarHBondContact O-N 3.44Å
384S84.7Confident73.7Confident67 Ų67102.3 Ų102.347%0.46959%0.593SS.*Hα-helixtrans-57.9-38.2174.3-73.70000113.3D380 A388D380-S384 PolarHBondContact O-N 2.93Å; D380-S384 VanDerWaalsContact O-N 3.15Å; S384-A388 WeakPolarHBondContact O-CB 3.28Å; S384-A388 PolarHBondContact O-N 2.98Å
385E84.2Confident75.7Confident147 Ų14798.2 Ų98.269%0.68758%0.577SS**Hα-helixtrans-72.6-41.4177.3-171.6166.9-156.100112.3S381 G382 I383 A388 A389S381-E385 PolarHBondContact O-N 3.44Å; G382-E385 PolarHBondContact O-N 2.71Å; I383-E385 VanDerWaalsContact C-N 3.3Å; I383-E385 PolarHBondContact O-N 3.18Å; E385-A388 PolarHBondContact O-N 3.19Å; E385-A389 WeakPolarHBondContact O-CB 3.32Å; E385-A389 PolarHBondContact O-N 3.44Å
386L90.7Very high77.9Confident118 Ų11896.9 Ų96.962%0.61856%0.562SS**Hα-helixtrans-65-38.1173.2-71.3172.4000112.4G382 I383 A389 L390G382-L386 WeakPolarHBondContact O-CG 3.3Å; G382-L386 PolarHBondContact O-N 3.46Å; I383-L386 PolarHBondContact O-N 3.24Å; L386-A389 PolarHBondContact O-N 2.9Å; L386-L390 WeakPolarHBondContact O-CB 3.38Å; L386-L390 WeakPolarHBondContact O-CG 3.48Å; L386-L390 PolarHBondContact O-N 2.9Å
387E89.5Confident80.3Confident95 Ų9594.8 Ų94.844%0.44454%0.543SS..Hα-helixtrans-63.2-40172.1-86.7-157-163.600112.4I383 K391I383-E387 WeakPolarHBondContact O-CB 3.31Å; I383-E387 PolarHBondContact O-N 3.44Å; E387-K391 WeakPolarHBondContact O-CB 3.36Å; E387-K391 VanDerWaalsContact O-CD 3.27Å; E387-K391 WeakPolarHBondContact O-CD 3.33Å; E387-K391 WeakPolarHBondContact O-CG 3.39Å; E387-K391 PolarHBondContact O-N 2.84Å; E387-K391 IonicContact OE2-NZ 3.59Å; E387-K391 PolarHBondContact OE2-NZ 3.19Å
388A90.6Very high82.8Confident56 Ų5693.6 Ų93.646%0.46354%0.535SS..Hα-helixtrans-65.5-44.4175.700000111.2S384 E385 L390 K391 D392S384-A388 WeakPolarHBondContact O-CB 3.28Å; S384-A388 PolarHBondContact O-N 2.98Å; E385-A388 PolarHBondContact O-N 3.19Å; A388-L390 PolarHBondContact O-N 3.39Å; A388-K391 PolarHBondContact O-N 3.23Å; A388-D392 WeakPolarHBondContact O-CB 3.48Å; A388-D392 PolarHBondContact O-N 3.04Å
389A92.9Very high85.1Confident49 Ų4995.4 Ų95.441%0.40553%0.527SS..Hα-helixtrans-63.6-37.9176.100000112.8E385 L386 D392 R393E385-A389 WeakPolarHBondContact O-CB 3.32Å; E385-A389 PolarHBondContact O-N 3.44Å; L386-A389 PolarHBondContact O-N 2.9Å; A389-D392 PolarHBondContact O-N 3.5Å; A389-R393 WeakPolarHBondContact O-CG 3.43Å; A389-R393 PolarHBondContact O-N 3.23Å
390L91.9Very high87.4Confident116 Ų11694.2 Ų94.261%0.60751%0.512SS*.Hα-helixtrans-64.6-45.5173.1-77169.2000111.6L386 A388 D392 R393 D394L386-L390 WeakPolarHBondContact O-CB 3.38Å; L386-L390 WeakPolarHBondContact O-CG 3.48Å; L386-L390 PolarHBondContact O-N 2.9Å; A388-L390 PolarHBondContact O-N 3.39Å; L390-D392 VanDerWaalsContact C-N 3.31Å; L390-D392 PolarHBondContact O-N 3.16Å; L390-R393 PolarHBondContact O-N 2.91Å; L390-D394 WeakPolarHBondContact O-CB 3.39Å; L390-D394 PolarHBondContact O-N 3.41Å
391K93.8Very high89.2Confident127 Ų12798 Ų9855%0.55252%0.519SS*.Hα-helixtrans-62.6-37.1177-70.1159.2-164.9162.10112.1E387 A388 S395E387-K391 WeakPolarHBondContact O-CB 3.36Å; E387-K391 VanDerWaalsContact O-CD 3.27Å; E387-K391 WeakPolarHBondContact O-CD 3.33Å; E387-K391 WeakPolarHBondContact O-CG 3.39Å; E387-K391 PolarHBondContact O-N 2.84Å; E387-K391 IonicContact OE2-NZ 3.59Å; E387-K391 PolarHBondContact OE2-NZ 3.19Å; A388-K391 PolarHBondContact O-N 3.23Å; K391-S395 WeakPolarHBondContact O-CB 3.44Å; K391-S395 PolarHBondContact O-N 3.44Å
392D92.8Very high90.9Very high98 Ų9899.4 Ų99.452%0.52452%0.515SS..Hα-helixtrans-63.1-51.7173.3-17563.8000111.5A388 A389 L390 D394 S395 E396A388-D392 WeakPolarHBondContact O-CB 3.48Å; A388-D392 PolarHBondContact O-N 3.04Å; A389-D392 PolarHBondContact O-N 3.5Å; L390-D392 VanDerWaalsContact C-N 3.31Å; L390-D392 PolarHBondContact O-N 3.16Å; D392-D394 PolarHBondContact O-N 3.27Å; D392-S395 CarbonylContact O-C 3.58Å; D392-S395 WeakPolarHBondContact O-CA 3.39Å; D392-S395 WeakPolarHBondContact O-CB 3.43Å; D392-S395 PolarHBondContact O-N 2.92Å; D392-S395 PolarHBondContact O-OG 2.99Å; D392-E396 PolarHBondContact O-N 3.42Å
393R93.8Very high92Very high114 Ų11498.9 Ų98.943%0.4351%0.506SS..Hα-helixtrans-66.9-32.3178.2-64.5-62.2-176.386.66.7113.5A389 L390 S395 E396 L397 D813A389-R393 WeakPolarHBondContact O-CG 3.43Å; A389-R393 PolarHBondContact O-N 3.23Å; L390-R393 PolarHBondContact O-N 2.91Å; R393-S395 VanDerWaalsContact C-N 3.32Å; R393-E396 WeakPolarHBondContact CD-OE2 3.49Å; R393-E396 PolarHBondContact O-N 3.46Å; R393-L397 WeakPolarHBondContact O-CB 3.46Å; R393-L397 VanDerWaalsContact O-CG 3.26Å; R393-L397 WeakPolarHBondContact O-CG 3.33Å; R393-L397 PolarHBondContact O-N 2.93Å; R393-D813 IonicContact CZ-OD2 2.74Å; R393-D813 IonicContact NH1-OD2 3.52Å; R393-D813 PolarHBondContact NH1-OD2 2.94Å; R393-D813 IonicContact NH2-OD1 3.71Å; R393-D813 IonicContact NH2-OD2 3.71Å
394D94.8Very high92.6Very high104 Ų104100.5 Ų100.556%0.55651%0.513SS*.Hα-helixtrans-66.1-35.8170.1-87.1-33.3000111.4L390 D392 S398L390-D394 WeakPolarHBondContact O-CB 3.39Å; L390-D394 PolarHBondContact O-N 3.41Å; D392-D394 PolarHBondContact O-N 3.27Å; D394-S398 VanDerWaalsContact O-CB 3.31Å; D394-S398 WeakPolarHBondContact O-CB 3.35Å; D394-S398 PolarHBondContact O-N 3.46Å
395S94.3Very high93.1Very high67 Ų67102 Ų10247%0.46951%0.513SS..Hα-helixtrans-68.4-40.1173.388.80000112K391 D392 R393 S398 Y399K391-S395 WeakPolarHBondContact O-CB 3.44Å; K391-S395 PolarHBondContact O-N 3.44Å; D392-S395 CarbonylContact O-C 3.58Å; D392-S395 WeakPolarHBondContact O-CA 3.39Å; D392-S395 WeakPolarHBondContact O-CB 3.43Å; D392-S395 PolarHBondContact O-N 2.92Å; D392-S395 PolarHBondContact O-OG 2.99Å; R393-S395 VanDerWaalsContact C-N 3.32Å; S395-S398 WeakPolarHBondContact O-CB 3.5Å; S395-S398 PolarHBondContact O-N 3.07Å; S395-Y399 WeakPolarHBondContact O-CB 3.47Å; S395-Y399 PolarHBondContact O-N 3.27Å
396E95.1Very high93.6Very high97 Ų97100.5 Ų100.545%0.45351%0.506SS..Hα-helixtrans-62.7-46.3173.3-171-171.3-17000111D392 R393 S398 Y399 L400D392-E396 PolarHBondContact O-N 3.42Å; R393-E396 WeakPolarHBondContact CD-OE2 3.49Å; R393-E396 PolarHBondContact O-N 3.46Å; E396-S398 VanDerWaalsContact C-N 3.32Å; E396-S398 PolarHBondContact O-N 3.33Å; E396-Y399 PolarHBondContact O-N 2.95Å; E396-L400 HydrophobicContact CG-CD1 4.07Å; E396-L400 HydrophobicContact CG-CG 4.47Å; E396-L400 WeakPolarHBondContact O-CB 3.26Å; E396-L400 VanDerWaalsContact O-CG 3.3Å; E396-L400 WeakPolarHBondContact O-CG 3.37Å; E396-L400 PolarHBondContact O-N 3.44Å
397L93.4Very high93.7Very high79 Ų7998.9 Ų98.941%0.41450%0.497SS..Hα-helixtrans-63.8-35.9176.1-74.3171.6000112.3R393 R401R393-L397 WeakPolarHBondContact O-CB 3.46Å; R393-L397 VanDerWaalsContact O-CG 3.26Å; R393-L397 WeakPolarHBondContact O-CG 3.33Å; R393-L397 PolarHBondContact O-N 2.93Å; L397-R401 WeakPolarHBondContact O-CB 3.5Å; L397-R401 WeakPolarHBondContact O-CD 3.29Å; L397-R401 VanDerWaalsContact O-CG 3.23Å; L397-R401 WeakPolarHBondContact O-CG 3.43Å; L397-R401 PolarHBondContact O-N 3.01Å
398S93.7Very high93.9Very high70 Ų7099.6 Ų99.649%0.4950%0.501SS..Hα-helixtrans-65.5-47173.3-168.10000111.5D394 S395 E396 L400 R401 Q402D394-S398 VanDerWaalsContact O-CB 3.31Å; D394-S398 WeakPolarHBondContact O-CB 3.35Å; D394-S398 PolarHBondContact O-N 3.46Å; S395-S398 WeakPolarHBondContact O-CB 3.5Å; S395-S398 PolarHBondContact O-N 3.07Å; E396-S398 VanDerWaalsContact C-N 3.32Å; E396-S398 PolarHBondContact O-N 3.33Å; S398-L400 PolarHBondContact O-N 2.87Å; S398-R401 PolarHBondContact O-N 3.45Å; S398-Q402 PolarHBondContact O-N 2.97Å
399Y95.5Very high94.1Very high162 Ų162102.5 Ų102.564%0.63550%0.503SS*.Hα-helixtrans-60.9-44.6175.4176.6-101.3000112.2S395 E396 R401 Q402 A403S395-Y399 WeakPolarHBondContact O-CB 3.47Å; S395-Y399 PolarHBondContact O-N 3.27Å; E396-Y399 PolarHBondContact O-N 2.95Å; Y399-R401 PolarHBondContact O-N 3.43Å; Y399-Q402 PolarHBondContact O-N 3.43Å; Y399-A403 WeakPolarHBondContact O-CB 3.49Å; Y399-A403 PolarHBondContact O-N 2.89Å
400L96.4Very high94.1Very high75 Ų75103.4 Ų103.439%0.39350%0.503SS..Hα-helixtrans-64.4-37.2176.9-73.3171.8000112.3E396 S398 A403 M404E396-L400 HydrophobicContact CG-CD1 4.07Å; E396-L400 HydrophobicContact CG-CG 4.47Å; E396-L400 WeakPolarHBondContact O-CB 3.26Å; E396-L400 VanDerWaalsContact O-CG 3.3Å; E396-L400 WeakPolarHBondContact O-CG 3.37Å; E396-L400 PolarHBondContact O-N 3.44Å; S398-L400 PolarHBondContact O-N 2.87Å; L400-A403 PolarHBondContact O-N 3.18Å; L400-M404 WeakPolarHBondContact O-CB 3.43Å; L400-M404 VanDerWaalsContact O-CG 3.28Å; L400-M404 WeakPolarHBondContact O-CG 3.43Å; L400-M404 PolarHBondContact O-N 3.46Å
401R94.8Very high94Very high178 Ų178102.4 Ų102.467%0.67250%0.498SS*.Hα-helixtrans-62.8-47.3171.9-76.1167.1179.8160.42.8111.4L397 S398 Y399 A403 M404 E405L397-R401 WeakPolarHBondContact O-CB 3.5Å; L397-R401 WeakPolarHBondContact O-CD 3.29Å; L397-R401 VanDerWaalsContact O-CG 3.23Å; L397-R401 WeakPolarHBondContact O-CG 3.43Å; L397-R401 PolarHBondContact O-N 3.01Å; S398-R401 PolarHBondContact O-N 3.45Å; Y399-R401 PolarHBondContact O-N 3.43Å; R401-A403 VanDerWaalsContact C-N 3.35Å; R401-A403 PolarHBondContact O-N 2.9Å; R401-M404 PolarHBondContact O-N 2.97Å; R401-E405 PolarHBondContact O-N 3.35Å
402Q95.1Very high93.8Very high132 Ų132102 Ų10262%0.61750%0.496SS*.Hα-helixtrans-63.1-40177.5-170.7179.911.100112.1S398 Y399 E405 H406S398-Q402 PolarHBondContact O-N 2.97Å; Y399-Q402 PolarHBondContact O-N 3.43Å; Q402-E405 PolarHBondContact O-N 3.29Å; Q402-H406 WeakPolarHBondContact O-CB 3.3Å; Q402-H406 PolarHBondContact O-N 3.31Å
403A94.8Very high93.8Very high29 Ų29101.8 Ų101.824%0.2449%0.492CS..Hα-helixtrans-66.4-39.7175.700000112.2Y399 L400 R401 H406 N407Y399-A403 WeakPolarHBondContact O-CB 3.49Å; Y399-A403 PolarHBondContact O-N 2.89Å; L400-A403 PolarHBondContact O-N 3.18Å; R401-A403 VanDerWaalsContact C-N 3.35Å; R401-A403 PolarHBondContact O-N 2.9Å; A403-H406 PolarHBondContact O-N 3.36Å; A403-N407 WeakPolarHBondContact O-CB 3.42Å; A403-N407 PolarHBondContact O-N 3.35Å; A403-N407 PolarHBondContact O-ND2 2.92Å; A403-N407 VanDerWaalsContact O-ND2 3.12Å
404M91.7Very high93.7Very high130 Ų13099.4 Ų99.464%0.6449%0.49SS*.Hα-helixtrans-63.5-46.2173-77.6-64.8-62.900111.9L400 R401 H406 N407 E408L400-M404 WeakPolarHBondContact O-CB 3.43Å; L400-M404 VanDerWaalsContact O-CG 3.28Å; L400-M404 WeakPolarHBondContact O-CG 3.43Å; L400-M404 PolarHBondContact O-N 3.46Å; R401-M404 PolarHBondContact O-N 2.97Å; M404-H406 VanDerWaalsContact C-N 3.32Å; M404-H406 PolarHBondContact O-N 2.86Å; M404-N407 PolarHBondContact O-N 2.89Å; M404-E408 WeakPolarHBondContact O-CB 3.47Å; M404-E408 PolarHBondContact O-N 2.77Å
405E94.8Very high93.4Very high98 Ų9899.3 Ų99.346%0.45849%0.486SS..Hα-helixtrans-63.4-37.1177.3-162.7-162.2162.600111.9R401 Q402 K409R401-E405 PolarHBondContact O-N 3.35Å; Q402-E405 PolarHBondContact O-N 3.29Å; E405-K409 VanDerWaalsContact CD-NZ 3.27Å; E405-K409 WeakPolarHBondContact O-CD 3.46Å; E405-K409 VanDerWaalsContact O-CG 3.27Å; E405-K409 WeakPolarHBondContact O-CG 3.26Å; E405-K409 PolarHBondContact O-N 2.92Å; E405-K409 VanDerWaalsContact O-N 3.13Å; E405-K409 VanDerWaalsContact OE1-CE 3.29Å; E405-K409 WeakPolarHBondContact OE1-CE 3.42Å; E405-K409 IonicContact OE1-NZ 2.71Å; E405-K409 PolarHBondContact OE1-NZ 3.11Å; E405-K409 IonicContact OE2-NZ 2.66Å
406H94.4Very high93.3Very high116 Ų116102.2 Ų102.254%0.53749%0.49SS..Hα-helixtrans-65.7-48.2172.8-179.578.6000111.8Q402 A403 M404 E408 K409 V410Q402-H406 WeakPolarHBondContact O-CB 3.3Å; Q402-H406 PolarHBondContact O-N 3.31Å; A403-H406 PolarHBondContact O-N 3.36Å; M404-H406 VanDerWaalsContact C-N 3.32Å; M404-H406 PolarHBondContact O-N 2.86Å; H406-E408 VanDerWaalsContact C-N 3.32Å; H406-E408 PolarHBondContact O-N 3.46Å; H406-K409 PolarHBondContact O-N 3Å; H406-V410 WeakPolarHBondContact O-CG2 3.4Å; H406-V410 PolarHBondContact O-N 3Å
407N94Very high93.1Very high84 Ų84101.6 Ų101.645%0.44949%0.49SS..Hα-helixtrans-61-40.4178-74.4-29.7000111.8A403 M404 V410 I411A403-N407 WeakPolarHBondContact O-CB 3.42Å; A403-N407 PolarHBondContact O-N 3.35Å; A403-N407 PolarHBondContact O-ND2 2.92Å; A403-N407 VanDerWaalsContact O-ND2 3.12Å; M404-N407 PolarHBondContact O-N 2.89Å; N407-V410 PolarHBondContact O-N 3.38Å; N407-I411 WeakPolarHBondContact O-CB 3.47Å; N407-I411 WeakPolarHBondContact O-CD1 3.33Å; N407-I411 WeakPolarHBondContact O-CG1 3.33Å; N407-I411 PolarHBondContact O-N 2.86Å
408E92.5Very high93Very high110 Ų110103.7 Ų103.751%0.51450%0.496SS..Hα-helixtrans-60.2-47.5174.3179.9168.8-155.100111.6M404 H406 V410 I411 F412M404-E408 WeakPolarHBondContact O-CB 3.47Å; M404-E408 PolarHBondContact O-N 2.77Å; H406-E408 VanDerWaalsContact C-N 3.32Å; H406-E408 PolarHBondContact O-N 3.46Å; E408-V410 PolarHBondContact O-N 3.36Å; E408-I411 PolarHBondContact O-N 3.32Å; E408-F412 HydrophobicContact CG-CD2 3.73Å; E408-F412 HydrophobicContact CG-CE2 3.65Å; E408-F412 WeakPolarHBondContact O-CD2 3.44Å; E408-F412 PolarHBondContact O-N 3.05Å
409K95Very high92.7Very high118 Ų118105.4 Ų105.451%0.51350%0.496SS..Hα-helixtrans-59.8-42.7175.5-72165.4-174.2169.90112.4E405 H406 F412 Q413E405-K409 VanDerWaalsContact CD-NZ 3.27Å; E405-K409 WeakPolarHBondContact O-CD 3.46Å; E405-K409 VanDerWaalsContact O-CG 3.27Å; E405-K409 WeakPolarHBondContact O-CG 3.26Å; E405-K409 PolarHBondContact O-N 2.92Å; E405-K409 VanDerWaalsContact O-N 3.13Å; E405-K409 VanDerWaalsContact OE1-CE 3.29Å; E405-K409 WeakPolarHBondContact OE1-CE 3.42Å; E405-K409 IonicContact OE1-NZ 2.71Å; E405-K409 PolarHBondContact OE1-NZ 3.11Å; E405-K409 IonicContact OE2-NZ 2.66Å; H406-K409 PolarHBondContact O-N 3Å; K409-F412 PolarHBondContact O-N 3.09Å; K409-Q413 WeakPolarHBondContact O-CB 3.36Å; K409-Q413 PolarHBondContact O-N 3.44Å
410V93.4Very high92.6Very high67 Ų67100.8 Ų100.841%0.40649%0.485SS..Hα-helixtrans-64.7-41.9176172.30000111.2H406 N407 E408 Q413 V414H406-V410 WeakPolarHBondContact O-CG2 3.4Å; H406-V410 PolarHBondContact O-N 3Å; N407-V410 PolarHBondContact O-N 3.38Å; E408-V410 PolarHBondContact O-N 3.36Å; V410-Q413 PolarHBondContact O-N 3.47Å; V410-V414 HydrophobicContact CG1-CG2 4.39Å; V410-V414 WeakPolarHBondContact O-CB 3.5Å; V410-V414 VanDerWaalsContact O-CG2 3.31Å; V410-V414 WeakPolarHBondContact O-CG2 3.35Å; V410-V414 PolarHBondContact O-N 3.32Å
411I89.2Confident92.2Very high95 Ų95103.6 Ų103.649%0.48749%0.491SS..Hα-helixtrans-63-46.6176.6-71.7164.2000110.9N407 E408 Q413 V414 Q415N407-I411 WeakPolarHBondContact O-CB 3.47Å; N407-I411 WeakPolarHBondContact O-CD1 3.33Å; N407-I411 WeakPolarHBondContact O-CG1 3.33Å; N407-I411 PolarHBondContact O-N 2.86Å; E408-I411 PolarHBondContact O-N 3.32Å; I411-Q413 PolarHBondContact O-N 2.85Å; I411-V414 PolarHBondContact O-N 3.46Å; I411-Q415 HydrophobicContact CG2-CG 4.45Å; I411-Q415 VanDerWaalsContact CG2-NE2 3.32Å; I411-Q415 WeakPolarHBondContact O-CB 3.26Å; I411-Q415 VanDerWaalsContact O-CG 3.27Å; I411-Q415 WeakPolarHBondContact O-CG 3.43Å; I411-Q415 PolarHBondContact O-N 3.41Å
412F89.8Confident91.9Very high120 Ų120101.6 Ų101.653%0.52648%0.484SS..Hα-helixtrans-61.9-42.4176.4-86.9-64.9000112.5E408 K409 Q415 K416E408-F412 HydrophobicContact CG-CD2 3.73Å; E408-F412 HydrophobicContact CG-CE2 3.65Å; E408-F412 WeakPolarHBondContact O-CD2 3.44Å; E408-F412 PolarHBondContact O-N 3.05Å; K409-F412 PolarHBondContact O-N 3.09Å; F412-Q415 PolarHBondContact O-N 3.08Å; F412-K416 WeakPolarHBondContact O-CB 3.32Å; F412-K416 PolarHBondContact O-N 3.5Å
413Q92.6Very high91.5Very high93 Ų93101.4 Ų101.444%0.43548%0.483SS..Hα-helixtrans-62.8-49.5177.2-174.456.843.900111.1K409 V410 I411 Q415 K416 D417K409-Q413 WeakPolarHBondContact O-CB 3.36Å; K409-Q413 PolarHBondContact O-N 3.44Å; V410-Q413 PolarHBondContact O-N 3.47Å; I411-Q413 PolarHBondContact O-N 2.85Å; Q413-Q415 VanDerWaalsContact C-N 3.29Å; Q413-Q415 PolarHBondContact O-N 2.93Å; Q413-K416 PolarHBondContact O-N 2.97Å; Q413-K416 VanDerWaalsContact O-N 3.16Å; Q413-D417 PolarHBondContact NE2-OD1 2.98Å; Q413-D417 PolarHBondContact NE2-OD2 2.89Å; Q413-D417 PolarHBondContact O-N 3.46Å
414V92.5Very high91.3Very high63 Ų63106.6 Ų106.638%0.38250%0.502SS..Hα-helixtrans-63.4-31.8177.5170.40000112.6V410 I411 K418V410-V414 HydrophobicContact CG1-CG2 4.39Å; V410-V414 WeakPolarHBondContact O-CB 3.5Å; V410-V414 VanDerWaalsContact O-CG2 3.31Å; V410-V414 WeakPolarHBondContact O-CG2 3.35Å; V410-V414 PolarHBondContact O-N 3.32Å; I411-V414 PolarHBondContact O-N 3.46Å; V414-K418 HydrophobicContact CG1-CD 4.11Å; V414-K418 WeakPolarHBondContact O-CB 3.38Å; V414-K418 WeakPolarHBondContact O-CD 3.38Å; V414-K418 WeakPolarHBondContact O-CG 3.43Å; V414-K418 PolarHBondContact O-N 2.72Å
415Q89.3Confident91.1Very high103 Ų103101.7 Ų101.748%0.48148%0.477SS..Hα-helixtrans-69.8-44.9172.6-75.9179.718.900111.8I411 F412 Q413 K418 E419I411-Q415 HydrophobicContact CG2-CG 4.45Å; I411-Q415 VanDerWaalsContact CG2-NE2 3.32Å; I411-Q415 WeakPolarHBondContact O-CB 3.26Å; I411-Q415 VanDerWaalsContact O-CG 3.27Å; I411-Q415 WeakPolarHBondContact O-CG 3.43Å; I411-Q415 PolarHBondContact O-N 3.41Å; F412-Q415 PolarHBondContact O-N 3.08Å; Q413-Q415 VanDerWaalsContact C-N 3.29Å; Q413-Q415 PolarHBondContact O-N 2.93Å; Q415-K418 PolarHBondContact O-N 3.02Å; Q415-E419 PolarHBondContact O-N 3.07Å
416K92Very high90.4Very high127 Ų127100.2 Ų100.255%0.55248%0.475SS*.Hα-helixtrans-63-44.8178.4-175.8180178.3-175.90112.4F412 Q413 K418 E419 V420F412-K416 WeakPolarHBondContact O-CB 3.32Å; F412-K416 PolarHBondContact O-N 3.5Å; Q413-K416 PolarHBondContact O-N 2.97Å; Q413-K416 VanDerWaalsContact O-N 3.16Å; K416-K418 VanDerWaalsContact C-N 3.28Å; K416-K418 PolarHBondContact O-N 3.02Å; K416-E419 PolarHBondContact O-N 3.34Å; K416-V420 WeakPolarHBondContact O-CG2 3.44Å; K416-V420 PolarHBondContact O-N 3.46Å
417D89.7Confident90Very high85 Ų8598.9 Ų98.946%0.45547%0.469SS..Hα-helixtrans-65.6-34.2177.7-65.8-30.2000111.6Q413 Y421Q413-D417 PolarHBondContact NE2-OD1 2.98Å; Q413-D417 PolarHBondContact NE2-OD2 2.89Å; Q413-D417 PolarHBondContact O-N 3.46Å; D417-Y421 VanDerWaalsContact O-CB 3.32Å; D417-Y421 WeakPolarHBondContact O-CB 3.38Å; D417-Y421 PolarHBondContact O-N 3.21Å
418K91.5Very high90Very high122 Ų122100 Ų10053%0.5347%0.467SS..Hα-helixtrans-68.9-40.4171.1-76.1170.8-177171.20112.5V414 Q415 K416 Y421 W422V414-K418 HydrophobicContact CG1-CD 4.11Å; V414-K418 WeakPolarHBondContact O-CB 3.38Å; V414-K418 WeakPolarHBondContact O-CD 3.38Å; V414-K418 WeakPolarHBondContact O-CG 3.43Å; V414-K418 PolarHBondContact O-N 2.72Å; Q415-K418 PolarHBondContact O-N 3.02Å; K416-K418 VanDerWaalsContact C-N 3.28Å; K416-K418 PolarHBondContact O-N 3.02Å; K418-Y421 PolarHBondContact O-N 3.48Å; K418-W422 WeakPolarHBondContact O-CB 3.38Å; K418-W422 PolarHBondContact O-N 2.9Å
419E88.2Confident89.5Confident107 Ų10797.4 Ų97.450%0.546%0.456SS..Hα-helixtrans-58.7-51.6175.3-171.9167.8-139.900110.2Q415 K416 Y421 W422 E423Q415-E419 PolarHBondContact O-N 3.07Å; K416-E419 PolarHBondContact O-N 3.34Å; E419-Y421 PolarHBondContact O-N 3.26Å; E419-W422 PolarHBondContact O-N 3.34Å; E419-E423 WeakPolarHBondContact O-CG 3.37Å; E419-E423 PolarHBondContact O-N 2.88Å
420V91.9Very high88.9Confident65 Ų6598.7 Ų98.739%0.39446%0.458SS..Hα-helixtrans-58.9-43.6176172.70000112.1K416 E423 H424K416-V420 WeakPolarHBondContact O-CG2 3.44Å; K416-V420 PolarHBondContact O-N 3.46Å; V420-E423 PolarHBondContact O-N 2.96Å; V420-H424 PolarHBondContact O-CD2 3.25Å; V420-H424 PolarHBondContact O-N 3.48Å
421Y89.4Confident88.6Confident133 Ų133100.3 Ų100.352%0.52246%0.464SS..Hα-helixtrans-59.5-49.3175.2178.1-92.2000112.1D417 K418 E419 E423 H424 E425D417-Y421 VanDerWaalsContact O-CB 3.32Å; D417-Y421 WeakPolarHBondContact O-CB 3.38Å; D417-Y421 PolarHBondContact O-N 3.21Å; K418-Y421 PolarHBondContact O-N 3.48Å; E419-Y421 PolarHBondContact O-N 3.26Å; Y421-E423 VanDerWaalsContact C-N 3.33Å; Y421-E423 PolarHBondContact O-N 2.87Å; Y421-H424 PolarHBondContact O-N 3.46Å; Y421-E425 WeakPolarHBondContact O-CB 3.49Å; Y421-E425 PolarHBondContact O-N 3.4Å
422W87.8Confident88.4Confident137 Ų13798.2 Ų98.252%0.51945%0.451SS..Hα-helixtrans-65.4-34.2179.2-73.6121.3000112.5K418 E419 T426K418-W422 WeakPolarHBondContact O-CB 3.38Å; K418-W422 PolarHBondContact O-N 2.9Å; E419-W422 PolarHBondContact O-N 3.34Å; W422-T426 WeakPolarHBondContact O-CB 3.48Å; W422-T426 PolarHBondContact O-N 3.03Å; W422-T426 PolarHBondContact O-OG1 2.83Å
423E87Confident87.8Confident127 Ų12797.7 Ų97.759%0.59345%0.446SS*.Hα-helixtrans-65.5-49.2173.7-73.2-162.4139.100112.1E419 V420 Y421 E425 T426 Q427E419-E423 WeakPolarHBondContact O-CG 3.37Å; E419-E423 PolarHBondContact O-N 2.88Å; V420-E423 PolarHBondContact O-N 2.96Å; Y421-E423 VanDerWaalsContact C-N 3.33Å; Y421-E423 PolarHBondContact O-N 2.87Å; E423-E425 PolarHBondContact O-N 2.98Å; E423-T426 PolarHBondContact O-N 2.92Å; E423-Q427 WeakPolarHBondContact O-CB 3.26Å; E423-Q427 PolarHBondContact O-N 2.87Å
424H91.2Very high87Confident139 Ų13997.2 Ų97.264%0.64444%0.444SS*.Hα-helixtrans-59.2-45.5176.1-87.9-74.7000111.9V420 Y421 Q427 R428V420-H424 PolarHBondContact O-CD2 3.25Å; V420-H424 PolarHBondContact O-N 3.48Å; Y421-H424 PolarHBondContact O-N 3.46Å; H424-Q427 PolarHBondContact O-N 3.23Å; H424-R428 WeakPolarHBondContact O-CB 3.27Å; H424-R428 PolarHBondContact O-N 3.03Å
425E86.4Confident86.5Confident27 Ų2795.9 Ų95.913%0.12644%0.443CS..Hα-helixtrans-66.6-43.6179.5-178.850-145.900111.7Y421 E423 Q427 R428 L429Y421-E425 WeakPolarHBondContact O-CB 3.49Å; Y421-E425 PolarHBondContact O-N 3.4Å; E423-E425 PolarHBondContact O-N 2.98Å; E425-Q427 VanDerWaalsContact C-N 3.25Å; E425-Q427 PolarHBondContact O-N 3.45Å; E425-R428 VanDerWaalsContact CD-NH2 3.34Å; E425-R428 WeakPolarHBondContact O-CB 3.47Å; E425-R428 PolarHBondContact O-N 3.42Å; E425-R428 IonicContact OE1-CZ 2.67Å; E425-R428 IonicContact OE1-NE 2.65Å; E425-R428 PolarHBondContact OE1-NE 2.95Å; E425-R428 IonicContact OE1-NH2 2.65Å; E425-R428 PolarHBondContact OE1-NH2 3.28Å; E425-R428 IonicContact OE2-CZ 3.47Å; E425-R428 IonicContact OE2-NE 2.78Å; E425-R428 PolarHBondContact OE2-NE 3.02Å; E425-R428 IonicContact OE2-NH2 2.79Å; E425-R428 PolarHBondContact OE2-NH2 3.05Å; E425-L429 HydrophobicContact CG-CD1 4.18Å; E425-L429 WeakPolarHBondContact O-CB 3.5Å; E425-L429 WeakPolarHBondContact O-CG 3.29Å; E425-L429 PolarHBondContact O-N 3.27Å; E425-L429 WeakPolarHBondContact OE1-CD1 3.4Å; E425-L429 VanDerWaalsContact OE1-CG 3.31Å; E425-L429 WeakPolarHBondContact OE1-CG 3.49Å
426T79.7Confident85.9Confident66 Ų6691.9 Ų91.941%0.40542%0.424SS..Hα-helixtrans-63.2-31.8174.8-57.20000111.9W422 E423 R430W422-T426 WeakPolarHBondContact O-CB 3.48Å; W422-T426 PolarHBondContact O-N 3.03Å; W422-T426 PolarHBondContact O-OG1 2.83Å; E423-T426 PolarHBondContact O-N 2.92Å; T426-R430 WeakPolarHBondContact O-CB 3.36Å; T426-R430 WeakPolarHBondContact O-CG 3.39Å; T426-R430 PolarHBondContact O-N 3.36Å; T426-R430 PolarHBondContact O-NE 3.41Å; T426-R430 VanDerWaalsContact O-NE 3.11Å
427Q87.7Confident84.6Confident88 Ų8891.7 Ų91.741%0.41143%0.426SS..Hα-helixtrans-75.4-39.7174.6-169.565.3-300112.2E423 H424 E425 R430 L431E423-Q427 WeakPolarHBondContact O-CB 3.26Å; E423-Q427 PolarHBondContact O-N 2.87Å; H424-Q427 PolarHBondContact O-N 3.23Å; E425-Q427 VanDerWaalsContact C-N 3.25Å; E425-Q427 PolarHBondContact O-N 3.45Å; Q427-R430 PolarHBondContact O-N 2.9Å; Q427-R430 VanDerWaalsContact OE1-CZ 3.22Å; Q427-L431 HydrophobicContact CG-CD1 4.37Å; Q427-L431 WeakPolarHBondContact O-CG 3.42Å; Q427-L431 PolarHBondContact O-N 3.44Å
428R92.3Very high84.4Confident107 Ų10794.3 Ų94.340%0.40443%0.429SS..Hα-helixtrans-58.8-48173.7-169.7-174.272.789.8-1.2111.4H424 E425 L431 F432H424-R428 WeakPolarHBondContact O-CB 3.27Å; H424-R428 PolarHBondContact O-N 3.03Å; E425-R428 VanDerWaalsContact CD-NH2 3.34Å; E425-R428 WeakPolarHBondContact O-CB 3.47Å; E425-R428 PolarHBondContact O-N 3.42Å; E425-R428 IonicContact OE1-CZ 2.67Å; E425-R428 IonicContact OE1-NE 2.65Å; E425-R428 PolarHBondContact OE1-NE 2.95Å; E425-R428 IonicContact OE1-NH2 2.65Å; E425-R428 PolarHBondContact OE1-NH2 3.28Å; E425-R428 IonicContact OE2-CZ 3.47Å; E425-R428 IonicContact OE2-NE 2.78Å; E425-R428 PolarHBondContact OE2-NE 3.02Å; E425-R428 IonicContact OE2-NH2 2.79Å; E425-R428 PolarHBondContact OE2-NH2 3.05Å; R428-L431 PolarHBondContact O-N 3.12Å; R428-F432 VanDerWaalsContact O-CB 3.28Å; R428-F432 WeakPolarHBondContact O-CB 3.42Å; R428-F432 PolarHBondContact O-N 3Å
429L83.7Confident83.4Confident57 Ų5791.7 Ų91.730%0.29842%0.419SS..Hα-helixtrans-62.3-43.4176.8-72.6166.1000112.2E425 F432 Y433E425-L429 HydrophobicContact CG-CD1 4.18Å; E425-L429 WeakPolarHBondContact O-CB 3.5Å; E425-L429 WeakPolarHBondContact O-CG 3.29Å; E425-L429 PolarHBondContact O-N 3.27Å; E425-L429 WeakPolarHBondContact OE1-CD1 3.4Å; E425-L429 VanDerWaalsContact OE1-CG 3.31Å; E425-L429 WeakPolarHBondContact OE1-CG 3.49Å; L429-F432 PolarHBondContact O-N 3.24Å; L429-Y433 HydrophobicContact CB-CE2 4.33Å; L429-Y433 HydrophobicContact CD2-CE2 4.32Å; L429-Y433 VanDerWaalsContact O-CD2 3.28Å; L429-Y433 WeakPolarHBondContact O-CD2 3.4Å; L429-Y433 PolarHBondContact O-N 3.32Å
430R82.3Confident82.4Confident144 Ų14488.3 Ų88.354%0.54341%0.407SS..Hα-helixtrans-58.6-50.9176-83.5-178.6-76.8-173.8-1.8112.1T426 Q427 F432 Y433 E434T426-R430 WeakPolarHBondContact O-CB 3.36Å; T426-R430 WeakPolarHBondContact O-CG 3.39Å; T426-R430 PolarHBondContact O-N 3.36Å; T426-R430 PolarHBondContact O-NE 3.41Å; T426-R430 VanDerWaalsContact O-NE 3.11Å; Q427-R430 PolarHBondContact O-N 2.9Å; Q427-R430 VanDerWaalsContact OE1-CZ 3.22Å; R430-F432 VanDerWaalsContact C-N 3.34Å; R430-F432 PolarHBondContact O-N 2.98Å; R430-Y433 PolarHBondContact O-N 2.99Å; R430-E434 WeakPolarHBondContact O-CB 3.42Å; R430-E434 PolarHBondContact O-N 3.26Å
431L86Confident81.3Confident102 Ų10289.4 Ų89.453%0.53441%0.407SS..Hα-helixtrans-64.6-37.6179.7-68.7171.5000112.4Q427 R428 G435Q427-L431 HydrophobicContact CG-CD1 4.37Å; Q427-L431 WeakPolarHBondContact O-CG 3.42Å; Q427-L431 PolarHBondContact O-N 3.44Å; R428-L431 PolarHBondContact O-N 3.12Å; L431-G435 PolarHBondContact O-N 2.87Å
432F86Confident81.2Confident51 Ų5188.1 Ų88.122%0.22441%0.409CS..Hα-helixtrans-62.8-48.6176.7177.9-107.5000112.2A213 K215 R428 L429 R430 Q436A213-F432 HydrophobicContact CB-CE1 4.48Å; A213-F432 HydrophobicContact CB-CE2 3.92Å; A213-F432 HydrophobicContact CB-CZ 3.84Å; A213-F432 WeakPolarHBondContact O-CZ 3.25Å; K215-F432 HydrophobicContact CB-CZ 4.22Å; K215-F432 HydrophobicContact CG-CE1 4.15Å; K215-F432 HydrophobicContact CG-CE2 3.87Å; K215-F432 HydrophobicContact CG-CZ 3.41Å; K215-F432 VanDerWaalsContact CG-CZ 3.41Å; R428-F432 VanDerWaalsContact O-CB 3.28Å; R428-F432 WeakPolarHBondContact O-CB 3.42Å; R428-F432 PolarHBondContact O-N 3Å; L429-F432 PolarHBondContact O-N 3.24Å; R430-F432 VanDerWaalsContact C-N 3.34Å; R430-F432 PolarHBondContact O-N 2.98Å; F432-Q436 PolarHBondContact O-N 3.4Å
433Y76.3Confident81Confident108 Ų10887.7 Ų87.742%0.42441%0.411SS..Hα-helixtrans-70.7-38.2178.5-62.1-34000112.9P216 L429 R430 Q436 Q437P216-Y433 VanDerWaalsContact CD-CE1 3.41Å; P216-Y433 HydrophobicContact CG-CD1 3.66Å; P216-Y433 HydrophobicContact CG-CE1 3.39Å; L429-Y433 HydrophobicContact CB-CE2 4.33Å; L429-Y433 HydrophobicContact CD2-CE2 4.32Å; L429-Y433 VanDerWaalsContact O-CD2 3.28Å; L429-Y433 WeakPolarHBondContact O-CD2 3.4Å; L429-Y433 PolarHBondContact O-N 3.32Å; R430-Y433 PolarHBondContact O-N 2.99Å; Y433-Q436 PolarHBondContact O-N 3.05Å; Y433-Q437 WeakPolarHBondContact O-CB 3.49Å; Y433-Q437 PolarHBondContact O-N 3.45Å
434E75.4Confident80.6Confident84 Ų8484.6 Ų84.639%0.39340%0.398SS..Hα-helixtrans-63.6-43.9175.2-161.1-163.217800111.4R430 Q436 Q437 R438R430-E434 WeakPolarHBondContact O-CB 3.42Å; R430-E434 PolarHBondContact O-N 3.26Å; E434-Q436 VanDerWaalsContact C-N 3.32Å; E434-Q436 PolarHBondContact O-N 3.28Å; E434-Q437 PolarHBondContact O-N 3.02Å; E434-R438 VanDerWaalsContact O-CG 3.3Å; E434-R438 WeakPolarHBondContact O-CG 3.49Å; E434-R438 PolarHBondContact O-N 3.47Å; E434-R438 IonicContact OE1-CZ 3.03Å; E434-R438 IonicContact OE1-NE 3.37Å; E434-R438 PolarHBondContact OE1-NE 3.09Å; E434-R438 IonicContact OE1-NH2 2.7Å; E434-R438 PolarHBondContact OE1-NH2 3.35Å; E434-R438 IonicContact OE2-CZ 2.67Å; E434-R438 IonicContact OE2-NH2 3.39Å; E434-R438 PolarHBondContact OE2-NH2 3Å
435G82.5Confident80.2Confident34 Ų3484.9 Ų84.935%0.35139%0.393SS..Hα-helixtrans-57.1-43.9173.600000112.5L431 R438 E439L431-G435 PolarHBondContact O-N 2.87Å; G435-R438 PolarHBondContact O-N 3.49Å; G435-E439 PolarHBondContact O-N 3.13Å
436Q76.2Confident80.3Confident19 Ų1990.8 Ų90.89%0.08942%0.419CS..Hα-helixtrans-69.5-37.1176.9-167.9-175.6-12.300113K215 P216 F432 Y433 E434 R438 E439 C440K215-Q436 VanDerWaalsContact CB-OE1 3.26Å; K215-Q436 HydrophobicContact CD-CG 4.08Å; K215-Q436 HydrophobicContact CG-CG 4.4Å; P216-Q436 VanDerWaalsContact CD-OE1 3.32Å; P216-Q436 PolarHBondContact O-NE2 2.94Å; P216-Q436 PolarHBondContact O-OE1 2.89Å; F432-Q436 PolarHBondContact O-N 3.4Å; Y433-Q436 PolarHBondContact O-N 3.05Å; E434-Q436 VanDerWaalsContact C-N 3.32Å; E434-Q436 PolarHBondContact O-N 3.28Å; Q436-R438 VanDerWaalsContact C-N 3.3Å; Q436-R438 PolarHBondContact O-N 3.08Å; Q436-E439 WeakPolarHBondContact O-CB 3.4Å; Q436-E439 PolarHBondContact O-N 3.3Å; Q436-C440 WeakPolarHBondContact O-CB 3.48Å; Q436-C440 PolarHBondContact O-N 2.85Å
437Q65.2Low80.3Confident124 Ų12492.3 Ų92.358%0.57942%0.422SS*.Hα-helixtrans-64-36.6175.7-169.9-173.1-10.200111.5Y433 E434 Q441Y433-Q437 WeakPolarHBondContact O-CB 3.49Å; Y433-Q437 PolarHBondContact O-N 3.45Å; E434-Q437 PolarHBondContact O-N 3.02Å; Q437-Q441 WeakPolarHBondContact O-CG 3.47Å; Q437-Q441 PolarHBondContact O-N 3.17Å; Q437-Q441 VanDerWaalsContact O-N 3.14Å; Q437-Q441 PolarHBondContact O-NE2 2.97Å; Q437-Q441 VanDerWaalsContact O-NE2 3.1Å
438R85.2Confident80.1Confident139 Ų13993.3 Ų93.353%0.52543%0.427SS..Hα-helixtrans-66.4-44.8171.2-65.6166.5-174.7179.80.6111.3E434 G435 Q436 C440 Q441 L442E434-R438 VanDerWaalsContact O-CG 3.3Å; E434-R438 WeakPolarHBondContact O-CG 3.49Å; E434-R438 PolarHBondContact O-N 3.47Å; E434-R438 IonicContact OE1-CZ 3.03Å; E434-R438 IonicContact OE1-NE 3.37Å; E434-R438 PolarHBondContact OE1-NE 3.09Å; E434-R438 IonicContact OE1-NH2 2.7Å; E434-R438 PolarHBondContact OE1-NH2 3.35Å; E434-R438 IonicContact OE2-CZ 2.67Å; E434-R438 IonicContact OE2-NH2 3.39Å; E434-R438 PolarHBondContact OE2-NH2 3Å; G435-R438 PolarHBondContact O-N 3.49Å; Q436-R438 VanDerWaalsContact C-N 3.3Å; Q436-R438 PolarHBondContact O-N 3.08Å; R438-C440 VanDerWaalsContact C-N 3.31Å; R438-C440 PolarHBondContact O-N 2.87Å; R438-Q441 PolarHBondContact O-N 2.98Å; R438-L442 WeakPolarHBondContact O-CG 3.4Å; R438-L442 PolarHBondContact O-N 3.48Å; R438-L442 VanDerWaalsContact O-N 3.09Å
439E70.1Confident80Confident68 Ų6895.1 Ų95.132%0.31844%0.44SS..Hα-helixtrans-57.9-41.9176.4-164-161.813900112.1K215 G435 Q436 K443K215-E439 IonicContact NZ-OE2 2.81Å; K215-E439 PolarHBondContact NZ-OE2 2.87Å; G435-E439 PolarHBondContact O-N 3.13Å; Q436-E439 WeakPolarHBondContact O-CB 3.4Å; Q436-E439 PolarHBondContact O-N 3.3Å; E439-K443 WeakPolarHBondContact O-CG 3.41Å; E439-K443 PolarHBondContact O-N 3.04Å; E439-K443 WeakPolarHBondContact OE1-CE 3.23Å; E439-K443 IonicContact OE1-NZ 3.59Å; E439-K443 PolarHBondContact OE1-NZ 3.13Å
440C67.3Low80.3Confident36 Ų3698.1 Ų98.124%0.24346%0.456CS..Hα-helixtrans-64.9-49.1176.5-171.70000112.5P218 Q436 R438 L442 K443 L444P218-C440 HydrophobicContact CB-CB 4.46Å; P218-C440 HydrophobicContact CG-CB 3.88Å; Q436-C440 WeakPolarHBondContact O-CB 3.48Å; Q436-C440 PolarHBondContact O-N 2.85Å; R438-C440 VanDerWaalsContact C-N 3.31Å; R438-C440 PolarHBondContact O-N 2.87Å; C440-L442 PolarHBondContact O-N 3.38Å; C440-K443 WeakPolarHBondContact O-CB 3.48Å; C440-K443 PolarHBondContact O-N 3.3Å; C440-L444 PolarHBondContact O-N 3.33Å
441Q70.6Confident80.5Confident88 Ų8894.9 Ų94.941%0.41145%0.449SS..Hα-helixtrans-60.1-35178.7-75.7172.884.500112.5Q437 R438 R445Q437-Q441 WeakPolarHBondContact O-CG 3.47Å; Q437-Q441 PolarHBondContact O-N 3.17Å; Q437-Q441 VanDerWaalsContact O-N 3.14Å; Q437-Q441 PolarHBondContact O-NE2 2.97Å; Q437-Q441 VanDerWaalsContact O-NE2 3.1Å; R438-Q441 PolarHBondContact O-N 2.98Å; Q441-R445 WeakPolarHBondContact O-CG 3.45Å; Q441-R445 PolarHBondContact O-N 2.92Å
442L86.3Confident80.6Confident106 Ų10691.9 Ų91.956%0.55544%0.442SS*.Hα-helixtrans-69.5-33.2174.3-70.6172.1000112.8R438 C440 K446R438-L442 WeakPolarHBondContact O-CG 3.4Å; R438-L442 PolarHBondContact O-N 3.48Å; R438-L442 VanDerWaalsContact O-N 3.09Å; C440-L442 PolarHBondContact O-N 3.38Å; L442-K446 WeakPolarHBondContact O-CG 3.48Å; L442-K446 PolarHBondContact O-N 3.37Å
443K83.8Confident80.9Confident127 Ų12794 Ų9455%0.55246%0.455SS*.Hα-helixtrans-70.2-45.5173.5-74.1169.6173.81750111.5E439 C440 K446 M447E439-K443 WeakPolarHBondContact O-CG 3.41Å; E439-K443 PolarHBondContact O-N 3.04Å; E439-K443 WeakPolarHBondContact OE1-CE 3.23Å; E439-K443 IonicContact OE1-NZ 3.59Å; E439-K443 PolarHBondContact OE1-NZ 3.13Å; C440-K443 WeakPolarHBondContact O-CB 3.48Å; C440-K443 PolarHBondContact O-N 3.3Å; K443-K446 PolarHBondContact O-N 3.06Å; K443-M447 PolarHBondContact O-N 3.02Å
444L77.7Confident81.5Confident62 Ų6294 Ų9433%0.32546%0.46SS..Hα-helixtrans-56.4-52.9175175.957000111.2C440 K446 M447 E448C440-L444 PolarHBondContact O-N 3.33Å; L444-K446 VanDerWaalsContact C-N 3.27Å; L444-K446 PolarHBondContact O-N 3.35Å; L444-M447 HydrophobicContact CD1-CE 3.94Å; L444-M447 CarbonylContact O-C 3.57Å; L444-M447 WeakPolarHBondContact O-CA 3.36Å; L444-M447 WeakPolarHBondContact O-CB 3.4Å; L444-M447 PolarHBondContact O-N 3.28Å; L444-E448 HydrophobicContact CD1-CG 4.05Å; L444-E448 HydrophobicContact CG-CG 4.39Å; L444-E448 WeakPolarHBondContact O-CG 3.49Å; L444-E448 PolarHBondContact O-N 2.98Å
445R84.2Confident81.9Confident146 Ų14694.4 Ų94.455%0.55146%0.461SS*.Hα-helixtrans-57.9-35178.3-74179.1-177.6168.73.7114Q441 E448 Q449Q441-R445 WeakPolarHBondContact O-CG 3.45Å; Q441-R445 PolarHBondContact O-N 2.92Å; R445-E448 WeakPolarHBondContact CA-OE2 3.48Å; R445-Q449 VanDerWaalsContact O-CG 3.26Å; R445-Q449 WeakPolarHBondContact O-CG 3.43Å; R445-Q449 PolarHBondContact O-N 3.42Å; R445-Q449 VanDerWaalsContact O-N 3.1Å
446K87.8Confident82.3Confident151 Ų15198.3 Ų98.366%0.65747%0.469SS*.Hα-helixtrans-70.4-38.3174-75.3178.6177.8-174.40112.1L442 K443 L444 Q449 L450L442-K446 WeakPolarHBondContact O-CG 3.48Å; L442-K446 PolarHBondContact O-N 3.37Å; K443-K446 PolarHBondContact O-N 3.06Å; L444-K446 VanDerWaalsContact C-N 3.27Å; L444-K446 PolarHBondContact O-N 3.35Å; K446-Q449 PolarHBondContact O-N 3.37Å; K446-L450 WeakPolarHBondContact O-CB 3.43Å; K446-L450 PolarHBondContact O-N 3.5Å
447M79.6Confident83Confident97 Ų97102.8 Ų102.848%0.47849%0.49SS..Hα-helixtrans-65.7-42.5174.5-175.8170.166.600111.7K443 L444 L450 L451K443-M447 PolarHBondContact O-N 3.02Å; L444-M447 HydrophobicContact CD1-CE 3.94Å; L444-M447 CarbonylContact O-C 3.57Å; L444-M447 WeakPolarHBondContact O-CA 3.36Å; L444-M447 WeakPolarHBondContact O-CB 3.4Å; L444-M447 PolarHBondContact O-N 3.28Å; M447-L450 PolarHBondContact O-N 2.9Å; M447-L451 VanDerWaalsContact O-CB 3.31Å; M447-L451 WeakPolarHBondContact O-CB 3.26Å; M447-L451 PolarHBondContact O-N 2.93Å
448E83.5Confident84.1Confident110 Ų110102.1 Ų102.151%0.51449%0.489SS..Hα-helixtrans-59.6-45.6174.4-68.9173.5137.700111.8L444 R445 L451 G452L444-E448 HydrophobicContact CD1-CG 4.05Å; L444-E448 HydrophobicContact CG-CG 4.39Å; L444-E448 WeakPolarHBondContact O-CG 3.49Å; L444-E448 PolarHBondContact O-N 2.98Å; R445-E448 WeakPolarHBondContact CA-OE2 3.48Å; E448-L451 PolarHBondContact O-N 3.48Å; E448-G452 PolarHBondContact O-N 2.96Å
449Q89.9Confident84.4Confident145 Ų145102.1 Ų102.168%0.67849%0.493SS*.Hα-helixtrans-61.8-44.6176-74.6171.6500112.4R445 K446 G452 L453R445-Q449 VanDerWaalsContact O-CG 3.26Å; R445-Q449 WeakPolarHBondContact O-CG 3.43Å; R445-Q449 PolarHBondContact O-N 3.42Å; R445-Q449 VanDerWaalsContact O-N 3.1Å; K446-Q449 PolarHBondContact O-N 3.37Å; Q449-G452 PolarHBondContact O-N 2.91Å; Q449-L453 PolarHBondContact O-N 3.49Å
450L90.3Very high85.3Confident120 Ų120103.5 Ų103.563%0.62850%0.5SS*.Hα-helixtrans-66-41.5178.3-177.561.8000111.9K446 M447 L453 Q454K446-L450 WeakPolarHBondContact O-CB 3.43Å; K446-L450 PolarHBondContact O-N 3.5Å; M447-L450 PolarHBondContact O-N 2.9Å; L450-L453 PolarHBondContact O-N 2.94Å; L450-Q454 PolarHBondContact O-N 3.42Å
451L85.8Confident86.4Confident76 Ų76105.1 Ų105.140%0.39850%0.504SS..Hα-helixtrans-64.6-39.7175.4-177.562.7000111.4M447 E448 L453 Q454 Q455M447-L451 VanDerWaalsContact O-CB 3.31Å; M447-L451 WeakPolarHBondContact O-CB 3.26Å; M447-L451 PolarHBondContact O-N 2.93Å; E448-L451 PolarHBondContact O-N 3.48Å; L451-L453 PolarHBondContact O-N 2.91Å; L451-Q454 PolarHBondContact O-N 3.04Å; L451-Q455 WeakPolarHBondContact O-CB 3.33Å; L451-Q455 WeakPolarHBondContact O-CG 3.48Å; L451-Q455 PolarHBondContact O-N 3.46Å
452G89.3Confident87.3Confident39 Ų39108.5 Ų108.540%0.40252%0.517SS..Hα-helixtrans-60-43173.200000112.7E448 Q449 Q455 F456E448-G452 PolarHBondContact O-N 2.96Å; Q449-G452 PolarHBondContact O-N 2.91Å; G452-Q455 PolarHBondContact O-N 3.32Å; G452-F456 PolarHBondContact O-N 3.32Å
453L92.2Very high87.7Confident94 Ų94108.5 Ų108.549%0.49252%0.517SS..Hα-helixtrans-64.9-43.3175-177.662.1000112.1Q449 L450 L451 F456 Q457Q449-L453 PolarHBondContact O-N 3.49Å; L450-L453 PolarHBondContact O-N 2.94Å; L451-L453 PolarHBondContact O-N 2.91Å; L453-F456 WeakPolarHBondContact O-CB 3.34Å; L453-F456 PolarHBondContact O-N 3.23Å; L453-Q457 WeakPolarHBondContact O-CG 3.4Å; L453-Q457 PolarHBondContact O-N 3.01Å
454Q88.4Confident88Confident110 Ų110109.7 Ų109.751%0.51452%0.518SS..Hα-helixtrans-64-41.9176.5-171.7-177.760.800111.8L450 L451 F456 Q457 L458L450-Q454 PolarHBondContact O-N 3.42Å; L451-Q454 PolarHBondContact O-N 3.04Å; Q454-F456 VanDerWaalsContact C-N 3.3Å; Q454-F456 PolarHBondContact O-N 3.31Å; Q454-Q457 PolarHBondContact O-N 3.13Å; Q454-L458 HydrophobicContact CG-CD1 4.21Å; Q454-L458 WeakPolarHBondContact O-CB 3.4Å; Q454-L458 WeakPolarHBondContact O-CG 3.49Å; Q454-L458 PolarHBondContact O-N 3.42Å
455Q84.2Confident88.6Confident92 Ų92111.5 Ų111.543%0.4353%0.525SS..Hα-helixtrans-61.2-37.7173.3-75.1-176.335.200112.3L451 G452 K459L451-Q455 WeakPolarHBondContact O-CB 3.33Å; L451-Q455 WeakPolarHBondContact O-CG 3.48Å; L451-Q455 PolarHBondContact O-N 3.46Å; G452-Q455 PolarHBondContact O-N 3.32Å; Q455-K459 WeakPolarHBondContact O-CB 3.46Å; Q455-K459 VanDerWaalsContact O-CG 3.23Å; Q455-K459 WeakPolarHBondContact O-CG 3.31Å; Q455-K459 PolarHBondContact O-N 3.08Å
456F91.6Very high88.9Confident116 Ų116107.4 Ų107.451%0.50952%0.518SS..Hα-helixtrans-65.4-45.4175.2178.8-95.8000111.9G452 L453 Q454 L458 K459 Q460G452-F456 PolarHBondContact O-N 3.32Å; L453-F456 WeakPolarHBondContact O-CB 3.34Å; L453-F456 PolarHBondContact O-N 3.23Å; Q454-F456 VanDerWaalsContact C-N 3.3Å; Q454-F456 PolarHBondContact O-N 3.31Å; F456-L458 PolarHBondContact O-N 3.08Å; F456-K459 PolarHBondContact O-N 3.44Å; F456-Q460 HydrophobicContact CE1-CG 4.09Å; F456-Q460 HydrophobicContact CZ-CG 4.11Å; F456-Q460 PolarHBondContact O-N 3.31Å
457Q90.9Very high89.3Confident112 Ų112104.5 Ų104.552%0.52351%0.507SS..Hα-helixtrans-60-45.5175.4-70.3174.7100112L453 Q454 K459 Q460 H461L453-Q457 WeakPolarHBondContact O-CG 3.4Å; L453-Q457 PolarHBondContact O-N 3.01Å; Q454-Q457 PolarHBondContact O-N 3.13Å; Q457-K459 PolarHBondContact O-N 3.46Å; Q457-Q460 PolarHBondContact O-N 3.3Å; Q457-H461 WeakPolarHBondContact O-CB 3.34Å; Q457-H461 PolarHBondContact O-N 2.98Å
458L88Confident89.9Confident110 Ų110105.8 Ų105.858%0.57651%0.512SS*.Hα-helixtrans-63.2-39176.3-73.7168.1000112.3Q454 F456 H461 K462Q454-L458 HydrophobicContact CG-CD1 4.21Å; Q454-L458 WeakPolarHBondContact O-CB 3.4Å; Q454-L458 WeakPolarHBondContact O-CG 3.49Å; Q454-L458 PolarHBondContact O-N 3.42Å; F456-L458 PolarHBondContact O-N 3.08Å; L458-H461 PolarHBondContact O-N 3.49Å; L458-K462 WeakPolarHBondContact O-CB 3.43Å; L458-K462 PolarHBondContact O-N 3.23Å
459K90.1Very high90.4Very high140 Ų140104.9 Ų104.961%0.60951%0.514SS*.Hα-helixtrans-62.8-44.7173.6-76.7167.8-179.2172.60111.8Q455 F456 Q457 K462 L463Q455-K459 WeakPolarHBondContact O-CB 3.46Å; Q455-K459 VanDerWaalsContact O-CG 3.23Å; Q455-K459 WeakPolarHBondContact O-CG 3.31Å; Q455-K459 PolarHBondContact O-N 3.08Å; F456-K459 PolarHBondContact O-N 3.44Å; Q457-K459 PolarHBondContact O-N 3.46Å; K459-K462 PolarHBondContact O-N 2.96Å; K459-L463 PolarHBondContact O-N 3.37Å
460Q89.6Confident90.5Very high97 Ų97102.9 Ų102.945%0.45351%0.508SS..Hα-helixtrans-66.2-36174.7-77.8-163.1-24.500113.2F456 Q457 L463 R464F456-Q460 HydrophobicContact CE1-CG 4.09Å; F456-Q460 HydrophobicContact CZ-CG 4.11Å; F456-Q460 PolarHBondContact O-N 3.31Å; Q457-Q460 PolarHBondContact O-N 3.3Å; Q460-L463 PolarHBondContact O-N 2.87Å; Q460-R464 PolarHBondContact O-N 2.87Å; Q460-R464 VanDerWaalsContact O-N 3.13Å
461H90.6Very high90.8Very high69 Ų69105 Ų10532%0.31951%0.508SS..Hα-helixtrans-66.6-46.5176-163.2-88.6000111.1Q457 L458 L463 R464 Q465Q457-H461 WeakPolarHBondContact O-CB 3.34Å; Q457-H461 PolarHBondContact O-N 2.98Å; L458-H461 PolarHBondContact O-N 3.49Å; H461-L463 VanDerWaalsContact C-N 3.3Å; H461-L463 PolarHBondContact O-N 3.29Å; H461-R464 PolarHBondContact O-N 3.01Å; H461-Q465 PolarHBondContact CE1-OE1 3.26Å; H461-Q465 PolarHBondContact ND1-OE1 2.98Å; H461-Q465 WeakPolarHBondContact O-CG 3.36Å; H461-Q465 PolarHBondContact O-N 2.97Å
462K90.3Very high91.1Very high159 Ų159105.6 Ų105.669%0.69151%0.511SS*.Hα-helixtrans-59-40175.3-174.8178.2179.6-179.40112.1L458 K459 Q465 S466L458-K462 WeakPolarHBondContact O-CB 3.43Å; L458-K462 PolarHBondContact O-N 3.23Å; K459-K462 PolarHBondContact O-N 2.96Å; K462-Q465 PolarHBondContact O-N 3.31Å; K462-S466 WeakPolarHBondContact O-CB 3.37Å; K462-S466 PolarHBondContact O-N 3.4Å
463L94.4Very high91.3Very high106 Ų106108.3 Ų108.356%0.55551%0.513SS*.Hα-helixtrans-62.4-51.5176.9-175.663.1000111.2K459 Q460 H461 Q465 S466 E467K459-L463 PolarHBondContact O-N 3.37Å; Q460-L463 PolarHBondContact O-N 2.87Å; H461-L463 VanDerWaalsContact C-N 3.3Å; H461-L463 PolarHBondContact O-N 3.29Å; L463-Q465 VanDerWaalsContact C-N 3.32Å; L463-Q465 PolarHBondContact O-N 2.92Å; L463-S466 WeakPolarHBondContact O-CB 3.46Å; L463-S466 PolarHBondContact O-N 3.48Å; L463-E467 WeakPolarHBondContact O-CG 3.39Å; L463-E467 PolarHBondContact O-N 3.49Å
464R90.2Very high91.5Very high153 Ų153109.9 Ų109.958%0.57752%0.517SS*.Hα-helixtrans-59.4-39.4176.8-73.5-174-71.4148.7-6.4113Q460 H461 E467 Q468Q460-R464 PolarHBondContact O-N 2.87Å; Q460-R464 VanDerWaalsContact O-N 3.13Å; H461-R464 PolarHBondContact O-N 3.01Å; R464-E467 PolarHBondContact O-N 3.38Å; R464-Q468 PolarHBondContact O-N 3.35Å
465Q89.6Confident91.7Very high99 Ų99110.7 Ų110.746%0.46352%0.521SS..Hα-helixtrans-65.6-39.6174-72.9179.5-63.600112H461 K462 L463 Q468 V469H461-Q465 PolarHBondContact CE1-OE1 3.26Å; H461-Q465 PolarHBondContact ND1-OE1 2.98Å; H461-Q465 WeakPolarHBondContact O-CG 3.36Å; H461-Q465 PolarHBondContact O-N 2.97Å; K462-Q465 PolarHBondContact O-N 3.31Å; L463-Q465 VanDerWaalsContact C-N 3.32Å; L463-Q465 PolarHBondContact O-N 2.92Å; Q465-Q468 PolarHBondContact O-N 3.42Å; Q465-V469 WeakPolarHBondContact O-CG2 3.4Å; Q465-V469 PolarHBondContact O-N 2.92Å
466S91.9Very high92.2Very high60 Ų60111.8 Ų111.842%0.4253%0.529SS..Hα-helixtrans-64.8-39.1175.5-163.10000112.1K462 L463 V469 N470K462-S466 WeakPolarHBondContact O-CB 3.37Å; K462-S466 PolarHBondContact O-N 3.4Å; L463-S466 WeakPolarHBondContact O-CB 3.46Å; L463-S466 PolarHBondContact O-N 3.48Å; S466-V469 PolarHBondContact O-N 3.32Å; S466-N470 WeakPolarHBondContact O-CB 3.23Å; S466-N470 PolarHBondContact O-N 2.93Å; S466-N470 PolarHBondContact O-ND2 3.35Å; S466-N470 PolarHBondContact O-OD1 2.98Å
467E94.5Very high92.3Very high91 Ų91109.3 Ų109.343%0.42552%0.522SS..Hα-helixtrans-64.2-40.8173.1-70.3169.5-159.700111.8L463 R464 N470 R471L463-E467 WeakPolarHBondContact O-CG 3.39Å; L463-E467 PolarHBondContact O-N 3.49Å; R464-E467 PolarHBondContact O-N 3.38Å; E467-N470 PolarHBondContact O-N 3.03Å; E467-R471 VanDerWaalsContact O-CG 3.29Å; E467-R471 WeakPolarHBondContact O-CG 3.44Å; E467-R471 PolarHBondContact O-N 3.41Å
468Q93.5Very high92.5Very high124 Ų124108.8 Ų108.858%0.57952%0.522SS*.Hα-helixtrans-65.8-42.8176.4-171.7176.89.100112R464 Q465 R471 L472R464-Q468 PolarHBondContact O-N 3.35Å; Q465-Q468 PolarHBondContact O-N 3.42Å; Q468-R471 PolarHBondContact O-N 2.97Å; Q468-L472 HydrophobicContact CG-CD1 4.35Å; Q468-L472 WeakPolarHBondContact O-CG 3.4Å; Q468-L472 PolarHBondContact O-N 3.22Å
469V92.5Very high92.7Very high91 Ų91106.3 Ų106.355%0.55252%0.517SS*.Hα-helixtrans-62.5-44.1174.7169.50000111Q465 S466 R471 L472 Q473Q465-V469 WeakPolarHBondContact O-CG2 3.4Å; Q465-V469 PolarHBondContact O-N 2.92Å; S466-V469 PolarHBondContact O-N 3.32Å; V469-R471 VanDerWaalsContact C-N 3.33Å; V469-R471 PolarHBondContact O-N 3.17Å; V469-L472 PolarHBondContact O-N 3.06Å; V469-Q473 WeakPolarHBondContact O-CB 3.31Å; V469-Q473 PolarHBondContact O-N 3.29Å
470N93.8Very high93Very high103 Ų103107.3 Ų107.355%0.55152%0.517SS*.Hα-helixtrans-62.2-38.1176.5-71.5-10.9000112.4S466 E467 Q474S466-N470 WeakPolarHBondContact O-CB 3.23Å; S466-N470 PolarHBondContact O-N 2.93Å; S466-N470 PolarHBondContact O-ND2 3.35Å; S466-N470 PolarHBondContact O-OD1 2.98Å; E467-N470 PolarHBondContact O-N 3.03Å; N470-Q474 WeakPolarHBondContact O-CB 3.24Å; N470-Q474 PolarHBondContact O-N 3.49Å
471R95Very high93.2Very high165 Ų165107.3 Ų107.362%0.62352%0.52SS*.Hα-helixtrans-65.9-41.7174.3-72.4169.9-172-91.53.7112.3E467 Q468 V469 Q474 Q475E467-R471 VanDerWaalsContact O-CG 3.29Å; E467-R471 WeakPolarHBondContact O-CG 3.44Å; E467-R471 PolarHBondContact O-N 3.41Å; Q468-R471 PolarHBondContact O-N 2.97Å; V469-R471 VanDerWaalsContact C-N 3.33Å; V469-R471 PolarHBondContact O-N 3.17Å; R471-Q474 PolarHBondContact O-N 3.5Å; R471-Q475 WeakPolarHBondContact O-CG 3.35Å; R471-Q475 PolarHBondContact O-N 3.42Å
472L93.6Very high93.4Very high88 Ų88107.6 Ų107.646%0.46153%0.53SS..Hα-helixtrans-67.8-39.2176.7-71.3170.3000111.7Q468 V469 Q475 L476Q468-L472 HydrophobicContact CG-CD1 4.35Å; Q468-L472 WeakPolarHBondContact O-CG 3.4Å; Q468-L472 PolarHBondContact O-N 3.22Å; V469-L472 PolarHBondContact O-N 3.06Å; L472-Q475 PolarHBondContact O-N 2.93Å; L472-L476 WeakPolarHBondContact O-CG 3.5Å; L472-L476 PolarHBondContact O-N 3.2Å
473Q93.4Very high93.5Very high95 Ų95103.7 Ų103.744%0.44452%0.523SS..Hα-helixtrans-59.6-50.4172.9-175.558.858.500110.7V469 Q475 L476 D477V469-Q473 WeakPolarHBondContact O-CB 3.31Å; V469-Q473 PolarHBondContact O-N 3.29Å; Q473-Q475 VanDerWaalsContact C-N 3.27Å; Q473-Q475 PolarHBondContact O-N 3.33Å; Q473-L476 WeakPolarHBondContact O-CB 3.14Å; Q473-L476 PolarHBondContact O-N 3.41Å; Q473-D477 WeakPolarHBondContact CG-OD2 3.46Å; Q473-D477 VanDerWaalsContact NE2-CG 3.29Å; Q473-D477 PolarHBondContact NE2-OD1 3.3Å; Q473-D477 PolarHBondContact NE2-OD2 3.46Å; Q473-D477 VanDerWaalsContact NE2-OD2 3.08Å; Q473-D477 VanDerWaalsContact O-CG 3.23Å; Q473-D477 PolarHBondContact O-N 3.04Å; Q473-D477 VanDerWaalsContact O-OD2 3.09Å
474Q94.9Very high93.4Very high127 Ų127103.2 Ų103.259%0.59352%0.518SS*.Hα-helixtrans-58.7-35.8176.4-172.9176.236.900113N470 R471 L478N470-Q474 WeakPolarHBondContact O-CB 3.24Å; N470-Q474 PolarHBondContact O-N 3.49Å; R471-Q474 PolarHBondContact O-N 3.5Å; Q474-L478 HydrophobicContact CG-CD1 4.23Å; Q474-L478 WeakPolarHBondContact O-CB 3.35Å; Q474-L478 VanDerWaalsContact O-CG 3.26Å; Q474-L478 WeakPolarHBondContact O-CG 3.46Å; Q474-L478 PolarHBondContact O-N 3.37Å
475Q94Very high93.6Very high127 Ų12797.7 Ų97.759%0.59351%0.508SS*.Hα-helixtrans-69.2-39.2174.1-75.3176.8-8.500112.7R471 L472 Q473 A479R471-Q475 WeakPolarHBondContact O-CG 3.35Å; R471-Q475 PolarHBondContact O-N 3.42Å; L472-Q475 PolarHBondContact O-N 2.93Å; Q473-Q475 VanDerWaalsContact C-N 3.27Å; Q473-Q475 PolarHBondContact O-N 3.33Å; Q475-A479 VanDerWaalsContact O-CB 3.26Å; Q475-A479 WeakPolarHBondContact O-CB 3.31Å; Q475-A479 PolarHBondContact O-N 3.47Å
476L93Very high93.8Very high115 Ų11598 Ų9860%0.60251%0.513SS*.Hα-helixtrans-65.9-39.5174.4-72.5170.8000111.9L472 Q473 A479 R480L472-L476 WeakPolarHBondContact O-CG 3.5Å; L472-L476 PolarHBondContact O-N 3.2Å; Q473-L476 WeakPolarHBondContact O-CB 3.14Å; Q473-L476 PolarHBondContact O-N 3.41Å; L476-A479 PolarHBondContact O-N 3.33Å; L476-R480 VanDerWaalsContact O-CB 3.27Å; L476-R480 WeakPolarHBondContact O-CB 3.45Å; L476-R480 PolarHBondContact O-N 2.94Å
477D94.2Very high93.9Very high64 Ų64100 Ų10034%0.34252%0.515SS..Hα-helixtrans-67.1-48.1177.8-62.2-33.9000110.7Q473 A479 R480 D481Q473-D477 WeakPolarHBondContact CG-OD2 3.46Å; Q473-D477 VanDerWaalsContact NE2-CG 3.29Å; Q473-D477 PolarHBondContact NE2-OD1 3.3Å; Q473-D477 PolarHBondContact NE2-OD2 3.46Å; Q473-D477 VanDerWaalsContact NE2-OD2 3.08Å; Q473-D477 VanDerWaalsContact O-CG 3.23Å; Q473-D477 PolarHBondContact O-N 3.04Å; Q473-D477 VanDerWaalsContact O-OD2 3.09Å; D477-A479 VanDerWaalsContact C-N 3.32Å; D477-A479 PolarHBondContact O-N 3.43Å; D477-R480 WeakPolarHBondContact O-CA 3.3Å; D477-R480 WeakPolarHBondContact O-CB 3.42Å; D477-R480 PolarHBondContact O-N 3.22Å; D477-R480 VanDerWaalsContact O-N 3.07Å; D477-D481 PolarHBondContact O-N 2.89Å
478L94.8Very high93.9Very high102 Ų102102 Ų10253%0.53453%0.525SS..Hα-helixtrans-60.8-37.4174.4-72.1169.6000113.1Q474 S482Q474-L478 HydrophobicContact CG-CD1 4.23Å; Q474-L478 WeakPolarHBondContact O-CB 3.35Å; Q474-L478 VanDerWaalsContact O-CG 3.26Å; Q474-L478 WeakPolarHBondContact O-CG 3.46Å; Q474-L478 PolarHBondContact O-N 3.37Å; L478-S482 WeakPolarHBondContact O-CB 3.39Å; L478-S482 PolarHBondContact O-N 2.87Å; L478-S482 PolarHBondContact O-OG 2.91Å
479A92.9Very high94Very high58 Ų58101.8 Ų101.848%0.47952%0.524SS..Hα-helixtrans-69-34.9174.800000112Q475 L476 D477 S483Q475-A479 VanDerWaalsContact O-CB 3.26Å; Q475-A479 WeakPolarHBondContact O-CB 3.31Å; Q475-A479 PolarHBondContact O-N 3.47Å; L476-A479 PolarHBondContact O-N 3.33Å; D477-A479 VanDerWaalsContact C-N 3.32Å; D477-A479 PolarHBondContact O-N 3.43Å; A479-S483 VanDerWaalsContact O-CB 3.32Å; A479-S483 WeakPolarHBondContact O-CB 3.13Å; A479-S483 PolarHBondContact O-N 2.89Å
480R95.8Very high94.1Very high161 Ų161100.7 Ų100.761%0.60852%0.517SS*.Hα-helixtrans-67.3-47.3175.3-176.5-178.5-169.71465.3111.4L476 D477 S482 S483 Q484L476-R480 VanDerWaalsContact O-CB 3.27Å; L476-R480 WeakPolarHBondContact O-CB 3.45Å; L476-R480 PolarHBondContact O-N 2.94Å; D477-R480 WeakPolarHBondContact O-CA 3.3Å; D477-R480 WeakPolarHBondContact O-CB 3.42Å; D477-R480 PolarHBondContact O-N 3.22Å; D477-R480 VanDerWaalsContact O-N 3.07Å; R480-S482 VanDerWaalsContact C-N 3.33Å; R480-S482 PolarHBondContact O-N 3.44Å; R480-S483 WeakPolarHBondContact O-CB 3.21Å; R480-S483 PolarHBondContact O-N 3.3Å; R480-Q484 WeakPolarHBondContact O-CG 3.28Å; R480-Q484 PolarHBondContact O-N 3.25Å
481D94.5Very high94.2Very high97 Ų9798.6 Ų98.652%0.51951%0.506SS..Hα-helixtrans-61.2-43.1176.6-65.4-13.8000110.7D477 S483 Q484 G485D477-D481 PolarHBondContact O-N 2.89Å; D481-S483 PolarHBondContact O-N 3.23Å; D481-Q484 PolarHBondContact O-N 2.88Å; D481-G485 PolarHBondContact O-N 2.93Å
482S94.1Very high94.3Very high74 Ų7493.3 Ų93.352%0.51750%0.498SS..Hα-helixtrans-61.3-42.1174.8-57.40000112.3L478 R480 G485 L486L478-S482 WeakPolarHBondContact O-CB 3.39Å; L478-S482 PolarHBondContact O-N 2.87Å; L478-S482 PolarHBondContact O-OG 2.91Å; R480-S482 VanDerWaalsContact C-N 3.33Å; R480-S482 PolarHBondContact O-N 3.44Å; S482-G485 PolarHBondContact O-N 3.2Å; S482-L486 WeakPolarHBondContact O-CG 3.3Å; S482-L486 PolarHBondContact O-N 3.08Å
483S92.2Very high94.4Very high78 Ų7893.9 Ų93.955%0.54550%0.501SS..Hα-helixtrans-65.3-40.3176-1730000112A479 R480 D481 L486 Q487A479-S483 VanDerWaalsContact O-CB 3.32Å; A479-S483 WeakPolarHBondContact O-CB 3.13Å; A479-S483 PolarHBondContact O-N 2.89Å; R480-S483 WeakPolarHBondContact O-CB 3.21Å; R480-S483 PolarHBondContact O-N 3.3Å; D481-S483 PolarHBondContact O-N 3.23Å; S483-L486 PolarHBondContact O-N 2.91Å; S483-Q487 WeakPolarHBondContact O-CB 3.18Å; S483-Q487 PolarHBondContact O-N 3.49Å
484Q94.2Very high94.5Very high95 Ų9597.1 Ų97.144%0.44451%0.509SS..Hα-helixtrans-66.3-40.4174.9-73.5-175.2-10.800112.6R480 D481 Q487 Q488R480-Q484 WeakPolarHBondContact O-CG 3.28Å; R480-Q484 PolarHBondContact O-N 3.25Å; D481-Q484 PolarHBondContact O-N 2.88Å; Q484-Q487 PolarHBondContact O-N 3.38Å; Q484-Q488 WeakPolarHBondContact O-CG 3.49Å; Q484-Q488 PolarHBondContact O-N 2.97Å
485G93.7Very high94.5Very high37 Ų3797.1 Ų97.138%0.38151%0.509SS..Hα-helixtrans-63-42.9174.300000112.6D481 S482 Q488 Q489D481-G485 PolarHBondContact O-N 2.93Å; S482-G485 PolarHBondContact O-N 3.2Å; G485-Q488 PolarHBondContact O-N 3.32Å; G485-Q489 WeakPolarHBondContact O-CB 3.4Å; G485-Q489 PolarHBondContact O-N 2.9Å
486L93.5Very high94.6Very high106 Ų10697 Ų9756%0.55551%0.508SS*.Hα-helixtrans-64.4-40.5173.8-74.1169000112.2S482 S483 Q489 V490S482-L486 WeakPolarHBondContact O-CG 3.3Å; S482-L486 PolarHBondContact O-N 3.08Å; S483-L486 PolarHBondContact O-N 2.91Å; L486-Q489 PolarHBondContact O-N 3.5Å; L486-V490 WeakPolarHBondContact O-CG2 3.41Å; L486-V490 PolarHBondContact O-N 3.34Å
487Q94.2Very high94.8Very high101 Ų10196.4 Ų96.447%0.47251%0.505SS..Hα-helixtrans-61.6-47.7175-177.460.25400111.2S483 Q484 Q489 V490 D491S483-Q487 WeakPolarHBondContact O-CB 3.18Å; S483-Q487 PolarHBondContact O-N 3.49Å; Q484-Q487 PolarHBondContact O-N 3.38Å; Q487-Q489 VanDerWaalsContact C-N 3.29Å; Q487-Q489 PolarHBondContact O-N 3.04Å; Q487-V490 PolarHBondContact O-N 3.03Å; Q487-D491 PolarHBondContact NE2-OD1 3.17Å; Q487-D491 PolarHBondContact NE2-OD2 3.25Å; Q487-D491 VanDerWaalsContact O-CG 3.27Å; Q487-D491 PolarHBondContact O-N 3.1Å
488Q95Very high94.8Very high135 Ų13598.3 Ų98.363%0.63151%0.512SS*.Hα-helixtrans-59.9-37.8175.2-72.1172.915.200112.4Q484 G485 D491 A492Q484-Q488 WeakPolarHBondContact O-CG 3.49Å; Q484-Q488 PolarHBondContact O-N 2.97Å; G485-Q488 PolarHBondContact O-N 3.32Å; Q488-D491 PolarHBondContact O-N 2.85Å; Q488-A492 WeakPolarHBondContact O-CB 3.44Å; Q488-A492 PolarHBondContact O-N 2.97Å
489Q94.4Very high94.9Very high119 Ų11997.3 Ų97.356%0.55651%0.507SS*.Hα-helixtrans-67.5-41.7175.3-171.3176.832.700112.1G485 L486 Q487 A492 L493G485-Q489 WeakPolarHBondContact O-CB 3.4Å; G485-Q489 PolarHBondContact O-N 2.9Å; L486-Q489 PolarHBondContact O-N 3.5Å; Q487-Q489 VanDerWaalsContact C-N 3.29Å; Q487-Q489 PolarHBondContact O-N 3.04Å; Q489-A492 PolarHBondContact O-N 3.43Å; Q489-L493 HydrophobicContact CG-CD1 4.26Å; Q489-L493 WeakPolarHBondContact O-CB 3.33Å; Q489-L493 VanDerWaalsContact O-CG 3.29Å; Q489-L493 WeakPolarHBondContact O-CG 3.48Å; Q489-L493 PolarHBondContact O-N 2.88Å
490V95.9Very high94.9Very high67 Ų6797.2 Ų97.241%0.40650%0.503SS..Hα-helixtrans-61.6-43.8173.7165.70000110.8L486 Q487 L493 R494L486-V490 WeakPolarHBondContact O-CG2 3.41Å; L486-V490 PolarHBondContact O-N 3.34Å; Q487-V490 PolarHBondContact O-N 3.03Å; V490-L493 PolarHBondContact O-N 3.45Å; V490-R494 VanDerWaalsContact O-CG 3.3Å; V490-R494 WeakPolarHBondContact O-CG 3.16Å; V490-R494 PolarHBondContact O-N 3.48Å
491D95.5Very high95Very high59 Ų5994.9 Ų94.932%0.31650%0.499SS..Hα-helixtrans-69.3-38179.9-65-31.3000111.9Q487 Q488 R494 H495Q487-D491 PolarHBondContact NE2-OD1 3.17Å; Q487-D491 PolarHBondContact NE2-OD2 3.25Å; Q487-D491 VanDerWaalsContact O-CG 3.27Å; Q487-D491 PolarHBondContact O-N 3.1Å; Q488-D491 PolarHBondContact O-N 2.85Å; D491-R494 WeakPolarHBondContact O-CB 3.43Å; D491-R494 PolarHBondContact O-N 2.85Å; D491-H495 PolarHBondContact O-N 3.2Å; D491-H495 VanDerWaalsContact O-N 3.09Å; D491-H495 PolarHBondContact O-ND1 3.3Å
492A95.7Very high95Very high55 Ų5598.5 Ų98.546%0.45551%0.505SS..Hα-helixtrans-62.9-43172.100000112.2Q488 Q489 R494 H495 Q496Q488-A492 WeakPolarHBondContact O-CB 3.44Å; Q488-A492 PolarHBondContact O-N 2.97Å; Q489-A492 PolarHBondContact O-N 3.43Å; A492-R494 VanDerWaalsContact C-N 3.32Å; A492-R494 PolarHBondContact O-N 2.81Å; A492-H495 PolarHBondContact O-N 3.43Å; A492-Q496 WeakPolarHBondContact O-CG 3.39Å; A492-Q496 PolarHBondContact O-N 2.85Å
493L95.7Very high95.1Very high100 Ų100101.3 Ų101.352%0.52451%0.505SS..Hα-helixtrans-65.8-33.2175.5-73.3170000112.4Q489 V490 Q496 L497Q489-L493 HydrophobicContact CG-CD1 4.26Å; Q489-L493 WeakPolarHBondContact O-CB 3.33Å; Q489-L493 VanDerWaalsContact O-CG 3.29Å; Q489-L493 WeakPolarHBondContact O-CG 3.48Å; Q489-L493 PolarHBondContact O-N 2.88Å; V490-L493 PolarHBondContact O-N 3.45Å; L493-Q496 PolarHBondContact O-N 3.34Å; L493-L497 WeakPolarHBondContact O-CB 3.49Å; L493-L497 PolarHBondContact O-N 3.49Å
494R96.7Very high95.3Very high162 Ų162101.8 Ų101.861%0.61150%0.504SS*.Hα-helixtrans-63-48172.5-76.1172176.3-73.4-1.6111.9V490 D491 A492 Q496 L497 E498V490-R494 VanDerWaalsContact O-CG 3.3Å; V490-R494 WeakPolarHBondContact O-CG 3.16Å; V490-R494 PolarHBondContact O-N 3.48Å; D491-R494 WeakPolarHBondContact O-CB 3.43Å; D491-R494 PolarHBondContact O-N 2.85Å; A492-R494 VanDerWaalsContact C-N 3.32Å; A492-R494 PolarHBondContact O-N 2.81Å; R494-Q496 VanDerWaalsContact C-N 3.34Å; R494-Q496 PolarHBondContact O-N 2.91Å; R494-L497 PolarHBondContact O-N 2.9Å; R494-E498 PolarHBondContact O-N 3.5Å
495H95.5Very high95.4Very high128 Ų128101.1 Ų101.159%0.59351%0.509SS*.Hα-helixtrans-61.9-41.7175.8-70.683.2000111.3D491 A492 L497 E498 D499D491-H495 PolarHBondContact O-N 3.2Å; D491-H495 VanDerWaalsContact O-N 3.09Å; D491-H495 PolarHBondContact O-ND1 3.3Å; A492-H495 PolarHBondContact O-N 3.43Å; H495-L497 VanDerWaalsContact C-N 3.33Å; H495-L497 PolarHBondContact O-N 3.23Å; H495-E498 PolarHBondContact O-N 2.87Å; H495-D499 WeakPolarHBondContact O-CB 3.5Å; H495-D499 PolarHBondContact O-N 2.86Å
496Q95.5Very high95.4Very high124 Ų124105 Ų10558%0.57952%0.517SS*.Hα-helixtrans-65.4-32.2176.3-74.8-171.5-3100113.8A492 L493 R494 S500A492-Q496 WeakPolarHBondContact O-CG 3.39Å; A492-Q496 PolarHBondContact O-N 2.85Å; L493-Q496 PolarHBondContact O-N 3.34Å; R494-Q496 VanDerWaalsContact C-N 3.34Å; R494-Q496 PolarHBondContact O-N 2.91Å; Q496-S500 WeakPolarHBondContact O-CB 3.42Å; Q496-S500 PolarHBondContact O-N 2.9Å; Q496-S500 PolarHBondContact O-OG 3.43Å
497L95.8Very high95.5Very high102 Ų102106.9 Ų106.953%0.53452%0.517SS..Hα-helixtrans-67.3-49.9172.8-179.663.4000110.4L493 R494 H495 D499 S500 E501L493-L497 WeakPolarHBondContact O-CB 3.49Å; L493-L497 PolarHBondContact O-N 3.49Å; R494-L497 PolarHBondContact O-N 2.9Å; H495-L497 VanDerWaalsContact C-N 3.33Å; H495-L497 PolarHBondContact O-N 3.23Å; L497-D499 PolarHBondContact O-N 3.43Å; L497-S500 CarbonylContact O-C 3.58Å; L497-S500 WeakPolarHBondContact O-CA 3.48Å; L497-S500 WeakPolarHBondContact O-CB 3.31Å; L497-S500 PolarHBondContact O-N 2.96Å; L497-E501 HydrophobicContact CD1-CG 4.42Å; L497-E501 HydrophobicContact CG-CG 4.49Å; L497-E501 WeakPolarHBondContact O-CG 3.28Å; L497-E501 PolarHBondContact O-N 3.33Å
498E96.1Very high95.6Very high105 Ų105106.5 Ų106.549%0.49152%0.518SS..Hα-helixtrans-58.3-46.5177.3-177171.2-176.700111.6R494 H495 S500 E501 W502R494-E498 PolarHBondContact O-N 3.5Å; H495-E498 PolarHBondContact O-N 2.87Å; E498-S500 PolarHBondContact O-N 3.3Å; E498-E501 PolarHBondContact O-N 3.3Å; E498-W502 PolarHBondContact O-N 2.67Å
499D95Very high95.7Very high80 Ų80102.1 Ų102.143%0.42851%0.509SS..Hα-helixtrans-52-37.4171.5-120.332.5000112.9H495 L497 R503H495-D499 WeakPolarHBondContact O-CB 3.5Å; H495-D499 PolarHBondContact O-N 2.86Å; L497-D499 PolarHBondContact O-N 3.43Å; D499-R503 VanDerWaalsContact O-CG 3.3Å; D499-R503 WeakPolarHBondContact O-CG 3.45Å; D499-R503 PolarHBondContact O-N 3.38Å; D499-R503 IonicContact OD2-CZ 2.74Å; D499-R503 IonicContact OD2-NH1 3.33Å; D499-R503 PolarHBondContact OD2-NH1 3.03Å; D499-R503 IonicContact OD2-NH2 2.75Å; D499-R503 PolarHBondContact OD2-NH2 3.09Å
500S93.9Very high95.8Very high57 Ų57100.7 Ų100.740%0.39950%0.502SS..Hα-helixtrans-81.6-37-178.1-58.70000111.7Q496 L497 E498 R503 V504Q496-S500 WeakPolarHBondContact O-CB 3.42Å; Q496-S500 PolarHBondContact O-N 2.9Å; Q496-S500 PolarHBondContact O-OG 3.43Å; L497-S500 CarbonylContact O-C 3.58Å; L497-S500 WeakPolarHBondContact O-CA 3.48Å; L497-S500 WeakPolarHBondContact O-CB 3.31Å; L497-S500 PolarHBondContact O-N 2.96Å; E498-S500 PolarHBondContact O-N 3.3Å; S500-R503 PolarHBondContact O-N 3.38Å; S500-V504 WeakPolarHBondContact O-CG2 3.33Å; S500-V504 PolarHBondContact O-N 3.17Å
501E97.2Very high95.8Very high111 Ų111101 Ų10152%0.51950%0.501SS..Hα-helixtrans-63.2-43172.3-71.2176166.400110.9L497 E498 V504 C505L497-E501 HydrophobicContact CD1-CG 4.42Å; L497-E501 HydrophobicContact CG-CG 4.49Å; L497-E501 WeakPolarHBondContact O-CG 3.28Å; L497-E501 PolarHBondContact O-N 3.33Å; E498-E501 PolarHBondContact O-N 3.3Å; E501-V504 PolarHBondContact O-N 3.29Å; E501-C505 PolarHBondContact O-N 2.9Å; E501-C505 PolarHBondContact O-SG 3.03Å; E501-C505 VanDerWaalsContact O-SG 3.39Å
502W95.8Very high95.9Very high174 Ų174100.7 Ų100.766%0.65951%0.507SS*.Hα-helixtrans-59.8-45.7172.7-79.2113.4000112.8E498 V504 C505 E506E498-W502 PolarHBondContact O-N 2.67Å; W502-V504 VanDerWaalsContact C-N 3.34Å; W502-V504 PolarHBondContact O-N 3.14Å; W502-C505 WeakPolarHBondContact O-CB 3.25Å; W502-C505 PolarHBondContact O-N 3.1Å; W502-E506 PolarHBondContact O-N 2.82Å
503R95.9Very high95.9Very high133 Ų133103 Ų10350%0.50251%0.511SS..Hα-helixtrans-63-37.6174.9-71.8171.3-168.2122.113.1112.4D499 S500 E506 R507D499-R503 VanDerWaalsContact O-CG 3.3Å; D499-R503 WeakPolarHBondContact O-CG 3.45Å; D499-R503 PolarHBondContact O-N 3.38Å; D499-R503 IonicContact OD2-CZ 2.74Å; D499-R503 IonicContact OD2-NH1 3.33Å; D499-R503 PolarHBondContact OD2-NH1 3.03Å; D499-R503 IonicContact OD2-NH2 2.75Å; D499-R503 PolarHBondContact OD2-NH2 3.09Å; S500-R503 PolarHBondContact O-N 3.38Å; R503-E506 PolarHBondContact O-N 3.09Å; R503-R507 VanDerWaalsContact O-CG 3.31Å; R503-R507 WeakPolarHBondContact O-CG 3.29Å; R503-R507 PolarHBondContact O-N 3.33Å
504V96.1Very high96Very high87 Ų87103.2 Ų103.253%0.52751%0.512SS..Hα-helixtrans-66.2-39.7174.9167.50000110.9S500 E501 W502 N508S500-V504 WeakPolarHBondContact O-CG2 3.33Å; S500-V504 PolarHBondContact O-N 3.17Å; E501-V504 PolarHBondContact O-N 3.29Å; W502-V504 VanDerWaalsContact C-N 3.34Å; W502-V504 PolarHBondContact O-N 3.14Å; V504-N508 WeakPolarHBondContact CG1-ND2 3.38Å; V504-N508 VanDerWaalsContact O-CB 3.26Å; V504-N508 WeakPolarHBondContact O-CB 3.31Å; V504-N508 PolarHBondContact O-N 3.36Å; V504-N508 PolarHBondContact O-ND2 3.03Å; V504-N508 VanDerWaalsContact O-ND2 3.1Å
505C95.5Very high96Very high81 Ų81101.7 Ų101.755%0.54751%0.51SS..Hα-helixtrans-63.1-45.3173.4-73.70000112.5E501 W502 N508 G509E501-C505 PolarHBondContact O-N 2.9Å; E501-C505 PolarHBondContact O-SG 3.03Å; E501-C505 VanDerWaalsContact O-SG 3.39Å; W502-C505 WeakPolarHBondContact O-CB 3.25Å; W502-C505 PolarHBondContact O-N 3.1Å; C505-N508 PolarHBondContact O-N 3.44Å; C505-G509 PolarHBondContact O-N 2.91Å
506E95Very high96Very high119 Ų11998.6 Ų98.656%0.55650%0.5SS*.Hα-helixtrans-56.2-54.5174.1178.3-176.7-122.400111.4W502 R503 N508 G509 E510W502-E506 PolarHBondContact O-N 2.82Å; R503-E506 PolarHBondContact O-N 3.09Å; E506-N508 VanDerWaalsContact C-N 3.33Å; E506-N508 PolarHBondContact O-N 3.5Å; E506-G509 WeakPolarHBondContact O-CA 3.49Å; E506-G509 PolarHBondContact O-N 2.8Å; E506-E510 PolarHBondContact O-N 3.44Å
507R96Very high96Very high145 Ų14597.1 Ų97.155%0.54749%0.493SS..Hα-helixtrans-64.9-33179.4-63.9-51.5-17490.20.6113.2R503 G509 E510 I511R503-R507 VanDerWaalsContact O-CG 3.31Å; R503-R507 WeakPolarHBondContact O-CG 3.29Å; R503-R507 PolarHBondContact O-N 3.33Å; R507-G509 VanDerWaalsContact C-N 3.3Å; R507-E510 WeakPolarHBondContact CD-OE2 3.46Å; R507-E510 IonicContact NE-OE2 3.61Å; R507-E510 PolarHBondContact O-N 3.26Å; R507-I511 VanDerWaalsContact O-CB 3.31Å; R507-I511 WeakPolarHBondContact O-CB 3.22Å; R507-I511 WeakPolarHBondContact O-CD1 3.43Å; R507-I511 WeakPolarHBondContact O-CG1 3.39Å; R507-I511 PolarHBondContact O-N 2.92Å
508N96Very high96Very high94 Ų9498.3 Ų98.350%0.50350%0.499SS..Hα-helixtrans-65.6-34.6171.6-78-32000111.8V504 C505 E506 A512V504-N508 WeakPolarHBondContact CG1-ND2 3.38Å; V504-N508 VanDerWaalsContact O-CB 3.26Å; V504-N508 WeakPolarHBondContact O-CB 3.31Å; V504-N508 PolarHBondContact O-N 3.36Å; V504-N508 PolarHBondContact O-ND2 3.03Å; V504-N508 VanDerWaalsContact O-ND2 3.1Å; C505-N508 PolarHBondContact O-N 3.44Å; E506-N508 VanDerWaalsContact C-N 3.33Å; E506-N508 PolarHBondContact O-N 3.5Å; N508-A512 WeakPolarHBondContact O-CB 3.29Å; N508-A512 PolarHBondContact O-N 3.44Å
509G96.5Very high96.1Very high42 Ų4299.9 Ų99.943%0.43350%0.504SS..Hα-helixtrans-63.9-49.4170.500000112.9C505 E506 R507 I511 A512 L513C505-G509 PolarHBondContact O-N 2.91Å; E506-G509 WeakPolarHBondContact O-CA 3.49Å; E506-G509 PolarHBondContact O-N 2.8Å; R507-G509 VanDerWaalsContact C-N 3.3Å; G509-I511 PolarHBondContact O-N 3.24Å; G509-A512 PolarHBondContact O-N 3.09Å; G509-L513 PolarHBondContact O-N 3.16Å
510E96.9Very high96Very high90 Ų90101.4 Ų101.442%0.42151%0.509SS..Hα-helixtrans-56.1-48.6173.6-67.1-178.7166.400111.7E506 R507 A512 L513 L514E506-E510 PolarHBondContact O-N 3.44Å; R507-E510 WeakPolarHBondContact CD-OE2 3.46Å; R507-E510 IonicContact NE-OE2 3.61Å; R507-E510 PolarHBondContact O-N 3.26Å; E510-A512 VanDerWaalsContact C-N 3.29Å; E510-A512 PolarHBondContact O-N 3.02Å; E510-L513 PolarHBondContact O-N 2.93Å; E510-L514 WeakPolarHBondContact O-CB 3.43Å; E510-L514 WeakPolarHBondContact O-CG 3.39Å; E510-L514 PolarHBondContact O-N 2.97Å
511I95.9Very high96Very high73 Ų73100.7 Ų100.737%0.37451%0.506SS..Hα-helixtrans-63.6-35.3179.4-71.1165.7000111.1R507 G509 K515R507-I511 VanDerWaalsContact O-CB 3.31Å; R507-I511 WeakPolarHBondContact O-CB 3.22Å; R507-I511 WeakPolarHBondContact O-CD1 3.43Å; R507-I511 WeakPolarHBondContact O-CG1 3.39Å; R507-I511 PolarHBondContact O-N 2.92Å; G509-I511 PolarHBondContact O-N 3.24Å; I511-K515 HydrophobicContact CG2-CD 3.95Å; I511-K515 VanDerWaalsContact CG2-CE 3.48Å; I511-K515 VanDerWaalsContact O-CB 3.28Å; I511-K515 WeakPolarHBondContact O-CB 3.26Å; I511-K515 WeakPolarHBondContact O-CD 3.22Å; I511-K515 WeakPolarHBondContact O-CG 3.43Å; I511-K515 PolarHBondContact O-N 3.1Å
512A96.7Very high95.9Very high53 Ų53100.5 Ų100.544%0.43851%0.505SS..Hα-helixtrans-67-43.5174.200000111.8N508 G509 E510 K515 T516N508-A512 WeakPolarHBondContact O-CB 3.29Å; N508-A512 PolarHBondContact O-N 3.44Å; G509-A512 PolarHBondContact O-N 3.09Å; E510-A512 VanDerWaalsContact C-N 3.29Å; E510-A512 PolarHBondContact O-N 3.02Å; A512-K515 PolarHBondContact O-N 3.38Å; A512-T516 PolarHBondContact O-N 3.3Å; A512-T516 VanDerWaalsContact O-N 3.09Å; A512-T516 PolarHBondContact O-OG1 3.15Å
513L96.3Very high95.9Very high104 Ų10497.3 Ų97.355%0.54550%0.5SS..Hα-helixtrans-62.4-48.1176.1-179.661.7000111.7G509 E510 K515 T516 Q517G509-L513 PolarHBondContact O-N 3.16Å; E510-L513 PolarHBondContact O-N 2.93Å; L513-K515 VanDerWaalsContact C-N 3.32Å; L513-K515 PolarHBondContact O-N 3.19Å; L513-T516 WeakPolarHBondContact O-CB 3.41Å; L513-T516 PolarHBondContact O-N 3.4Å; L513-Q517 PolarHBondContact O-N 3.34Å
514L97.3Very high95.8Very high104 Ų10495.7 Ų95.755%0.54550%0.498SS..Hα-helixtrans-62.3-36.9176.8-69.4170.6000112.2E510 T516 Q517 L518E510-L514 WeakPolarHBondContact O-CB 3.43Å; E510-L514 WeakPolarHBondContact O-CG 3.39Å; E510-L514 PolarHBondContact O-N 2.97Å; L514-T516 VanDerWaalsContact C-N 3.28Å; L514-T516 PolarHBondContact O-N 2.85Å; L514-Q517 PolarHBondContact O-N 3.14Å; L514-L518 WeakPolarHBondContact O-CB 3.44Å; L514-L518 PolarHBondContact O-N 3.49Å
515K97.1Very high95.7Very high130 Ų13095.5 Ų95.557%0.56549%0.494SS*.Hα-helixtrans-65.7-27.8172.7-79.6169.1-179170.90113.1I511 A512 L513 K519I511-K515 HydrophobicContact CG2-CD 3.95Å; I511-K515 VanDerWaalsContact CG2-CE 3.48Å; I511-K515 VanDerWaalsContact O-CB 3.28Å; I511-K515 WeakPolarHBondContact O-CB 3.26Å; I511-K515 WeakPolarHBondContact O-CD 3.22Å; I511-K515 WeakPolarHBondContact O-CG 3.43Å; I511-K515 PolarHBondContact O-N 3.1Å; A512-K515 PolarHBondContact O-N 3.38Å; L513-K515 VanDerWaalsContact C-N 3.32Å; L513-K515 PolarHBondContact O-N 3.19Å; K515-K519 WeakPolarHBondContact O-CD 3.35Å; K515-K519 VanDerWaalsContact O-CG 3.28Å; K515-K519 WeakPolarHBondContact O-CG 3.44Å; K515-K519 PolarHBondContact O-N 3.33Å
516T95.8Very high95.6Very high62 Ų6294.4 Ų94.438%0.3848%0.482SS..Hα-helixtrans-76.3-50.2173.3-63.10000110.5A512 L513 L514 L518 K519 E520A512-T516 PolarHBondContact O-N 3.3Å; A512-T516 VanDerWaalsContact O-N 3.09Å; A512-T516 PolarHBondContact O-OG1 3.15Å; L513-T516 WeakPolarHBondContact O-CB 3.41Å; L513-T516 PolarHBondContact O-N 3.4Å; L514-T516 VanDerWaalsContact C-N 3.28Å; L514-T516 PolarHBondContact O-N 2.85Å; T516-L518 VanDerWaalsContact C-N 3.27Å; T516-L518 PolarHBondContact O-N 2.69Å; T516-K519 WeakPolarHBondContact O-CB 3.41Å; T516-K519 PolarHBondContact O-N 3.27Å; T516-E520 WeakPolarHBondContact CG2-OE1 3.43Å; T516-E520 WeakPolarHBondContact O-CG 3.25Å; T516-E520 PolarHBondContact O-N 3.39Å
517Q96Very high95.5Very high93 Ų9395.3 Ų95.344%0.43549%0.488SS..Hα-helixtrans-56.5-39176.3-68.5175.81.500112.5L513 L514 K519 E520 A521L513-Q517 PolarHBondContact O-N 3.34Å; L514-Q517 PolarHBondContact O-N 3.14Å; Q517-K519 PolarHBondContact O-N 3.09Å; Q517-E520 PolarHBondContact O-N 2.62Å; Q517-A521 WeakPolarHBondContact O-CB 3.43Å; Q517-A521 PolarHBondContact O-N 3.17Å
518L95.9Very high95.4Very high127 Ų12793.1 Ų93.167%0.66548%0.483SS*.Hα-helixtrans-66.4-35176.2-174.863.7000112.7L514 T516 H522L514-L518 WeakPolarHBondContact O-CB 3.44Å; L514-L518 PolarHBondContact O-N 3.49Å; T516-L518 VanDerWaalsContact C-N 3.27Å; T516-L518 PolarHBondContact O-N 2.69Å; L518-H522 VanDerWaalsContact O-CB 3.3Å; L518-H522 WeakPolarHBondContact O-CB 3.33Å; L518-H522 PolarHBondContact O-N 2.98Å
519K96.6Very high95.3Very high138 Ų13892.5 Ų92.560%0.648%0.48SS*.Hα-helixtrans-69.4-42.1173.6-71.6167.5-177178.50111.3K515 T516 Q517 H522 L523K515-K519 WeakPolarHBondContact O-CD 3.35Å; K515-K519 VanDerWaalsContact O-CG 3.28Å; K515-K519 WeakPolarHBondContact O-CG 3.44Å; K515-K519 PolarHBondContact O-N 3.33Å; T516-K519 WeakPolarHBondContact O-CB 3.41Å; T516-K519 PolarHBondContact O-N 3.27Å; Q517-K519 PolarHBondContact O-N 3.09Å; K519-H522 PolarHBondContact O-N 3.24Å; K519-L523 WeakPolarHBondContact O-CG 3.37Å; K519-L523 PolarHBondContact O-N 3.33Å
520E94.1Very high95.1Very high113 Ų11397 Ų9753%0.52849%0.489SS..Hα-helixtrans-62.4-47.9176.7-69.7167.5172.700110.9T516 Q517 H522 L523 E524T516-E520 WeakPolarHBondContact CG2-OE1 3.43Å; T516-E520 WeakPolarHBondContact O-CG 3.25Å; T516-E520 PolarHBondContact O-N 3.39Å; Q517-E520 PolarHBondContact O-N 2.62Å; E520-H522 VanDerWaalsContact C-N 3.33Å; E520-H522 PolarHBondContact O-N 3.22Å; E520-L523 PolarHBondContact O-N 2.75Å; E520-E524 WeakPolarHBondContact O-CB 3.05Å; E520-E524 PolarHBondContact O-N 3.47Å
521A93.9Very high94.9Very high41 Ų4195 Ų9534%0.33949%0.488SS..Hα-helixtrans-61-38.717400000112.3Q517 E524 I525Q517-A521 WeakPolarHBondContact O-CB 3.43Å; Q517-A521 PolarHBondContact O-N 3.17Å; A521-E524 PolarHBondContact O-N 2.96Å; A521-I525 WeakPolarHBondContact O-CB 3.49Å; A521-I525 VanDerWaalsContact O-CG1 3.24Å; A521-I525 WeakPolarHBondContact O-CG1 3.44Å; A521-I525 PolarHBondContact O-N 3.41Å
522H95.4Very high94.6Very high107 Ų10796.4 Ų96.450%0.49550%0.495SS..Hα-helixtrans-68.8-38175.9-174.853.1000112.6L518 K519 E520 I525 N526L518-H522 VanDerWaalsContact O-CB 3.3Å; L518-H522 WeakPolarHBondContact O-CB 3.33Å; L518-H522 PolarHBondContact O-N 2.98Å; K519-H522 PolarHBondContact O-N 3.24Å; E520-H522 VanDerWaalsContact C-N 3.33Å; E520-H522 PolarHBondContact O-N 3.22Å; H522-I525 PolarHBondContact O-N 3Å; H522-N526 PolarHBondContact CD2-ND2 3.43Å; H522-N526 PolarHBondContact CE1-ND2 2.84Å; H522-N526 PolarHBondContact NE2-ND2 2.9Å; H522-N526 VanDerWaalsContact NE2-ND2 3.11Å; H522-N526 WeakPolarHBondContact O-CB 3.3Å; H522-N526 PolarHBondContact O-N 3.45Å; H522-N526 PolarHBondContact O-ND2 3.41Å
523L95.3Very high94.2Very high107 Ų10797.5 Ų97.556%0.5650%0.496SS*.Hα-helixtrans-62.5-43.2171-73.2167.5000111.3K519 E520 N526 M527K519-L523 WeakPolarHBondContact O-CG 3.37Å; K519-L523 PolarHBondContact O-N 3.33Å; E520-L523 PolarHBondContact O-N 2.75Å; L523-N526 PolarHBondContact O-N 3.4Å; L523-M527 WeakPolarHBondContact O-CG 3.44Å; L523-M527 PolarHBondContact O-N 2.86Å
524E94.6Very high93.7Very high99 Ų9996 Ų9646%0.46349%0.494SS..Hα-helixtrans-64.9-39.2177.3-156.8-149.6-179.300112E520 A521 M527 K528E520-E524 WeakPolarHBondContact O-CB 3.05Å; E520-E524 PolarHBondContact O-N 3.47Å; A521-E524 PolarHBondContact O-N 2.96Å; E524-M527 PolarHBondContact O-N 3.5Å; E524-K528 VanDerWaalsContact CD-CE 3.4Å; E524-K528 WeakPolarHBondContact O-CB 3.47Å; E524-K528 VanDerWaalsContact O-CG 3.26Å; E524-K528 WeakPolarHBondContact O-CG 3.41Å; E524-K528 PolarHBondContact O-N 3.27Å; E524-K528 WeakPolarHBondContact OE1-CE 3.41Å; E524-K528 IonicContact OE1-NZ 2.7Å; E524-K528 PolarHBondContact OE1-NZ 2.82Å; E524-K528 IonicContact OE2-NZ 2.71Å; E524-K528 PolarHBondContact OE2-NZ 2.92Å
525I93.1Very high93.1Very high84 Ų8496.4 Ų96.443%0.43150%0.496SS..Hα-helixtrans-62.2-49.6171.8-72.2163.7000110.4A521 H522 M527 K528 D529A521-I525 WeakPolarHBondContact O-CB 3.49Å; A521-I525 VanDerWaalsContact O-CG1 3.24Å; A521-I525 WeakPolarHBondContact O-CG1 3.44Å; A521-I525 PolarHBondContact O-N 3.41Å; H522-I525 PolarHBondContact O-N 3Å; I525-M527 VanDerWaalsContact C-N 3.28Å; I525-M527 PolarHBondContact O-N 2.85Å; I525-K528 CarbonylContact O-C 3.56Å; I525-K528 WeakPolarHBondContact O-CA 3.28Å; I525-K528 WeakPolarHBondContact O-CB 3.42Å; I525-K528 PolarHBondContact O-N 3.48Å; I525-D529 PolarHBondContact O-N 3.28Å
526N93.8Very high92.5Very high58 Ų5897.3 Ų97.331%0.3150%0.5SS..Hα-helixtrans-60-38.3178.1-69.1-34.6000111.8H522 L523 D529 H530H522-N526 PolarHBondContact CD2-ND2 3.43Å; H522-N526 PolarHBondContact CE1-ND2 2.84Å; H522-N526 PolarHBondContact NE2-ND2 2.9Å; H522-N526 VanDerWaalsContact NE2-ND2 3.11Å; H522-N526 WeakPolarHBondContact O-CB 3.3Å; H522-N526 PolarHBondContact O-N 3.45Å; H522-N526 PolarHBondContact O-ND2 3.41Å; L523-N526 PolarHBondContact O-N 3.4Å; N526-D529 PolarHBondContact O-N 3.27Å; N526-H530 PolarHBondContact O-CD2 3.39Å; N526-H530 PolarHBondContact O-N 2.87Å
527M93.1Very high91.6Very high138 Ų138100.3 Ų100.368%0.6851%0.51SS*.Hα-helixtrans-64.1-41.8172-72.9176.366.200112.3L523 E524 I525 H530 A531L523-M527 WeakPolarHBondContact O-CG 3.44Å; L523-M527 PolarHBondContact O-N 2.86Å; E524-M527 PolarHBondContact O-N 3.5Å; I525-M527 VanDerWaalsContact C-N 3.28Å; I525-M527 PolarHBondContact O-N 2.85Å; M527-H530 PolarHBondContact O-N 2.79Å; M527-A531 WeakPolarHBondContact O-CB 3.29Å; M527-A531 PolarHBondContact O-N 3.4Å
528K93.1Very high90.7Very high98 Ų9899.2 Ų99.243%0.42651%0.512SS..Hα-helixtrans-64.9-40.4175-74.4164.7-178.11700111.7E524 I525 A531 I532E524-K528 VanDerWaalsContact CD-CE 3.4Å; E524-K528 WeakPolarHBondContact O-CB 3.47Å; E524-K528 VanDerWaalsContact O-CG 3.26Å; E524-K528 WeakPolarHBondContact O-CG 3.41Å; E524-K528 PolarHBondContact O-N 3.27Å; E524-K528 WeakPolarHBondContact OE1-CE 3.41Å; E524-K528 IonicContact OE1-NZ 2.7Å; E524-K528 PolarHBondContact OE1-NZ 2.82Å; E524-K528 IonicContact OE2-NZ 2.71Å; E524-K528 PolarHBondContact OE2-NZ 2.92Å; I525-K528 CarbonylContact O-C 3.56Å; I525-K528 WeakPolarHBondContact O-CA 3.28Å; I525-K528 WeakPolarHBondContact O-CB 3.42Å; I525-K528 PolarHBondContact O-N 3.48Å; K528-A531 CarbonylContact O-C 3.52Å; K528-A531 WeakPolarHBondContact O-CB 3.39Å; K528-A531 PolarHBondContact O-N 3.48Å; K528-I532 WeakPolarHBondContact O-CB 3.35Å; K528-I532 WeakPolarHBondContact O-CD1 3.4Å; K528-I532 VanDerWaalsContact O-CG1 3.22Å; K528-I532 WeakPolarHBondContact O-CG1 3.32Å; K528-I532 PolarHBondContact O-N 2.94Å
529D93.6Very high89.2Confident82 Ų8296.8 Ų96.844%0.43951%0.506SS..Hα-helixtrans-65.4-43.6175.7-76.6-32.2000111.5I525 N526 A531 I532 V533I525-D529 PolarHBondContact O-N 3.28Å; N526-D529 PolarHBondContact O-N 3.27Å; D529-A531 VanDerWaalsContact C-N 3.29Å; D529-A531 PolarHBondContact O-N 3.49Å; D529-I532 PolarHBondContact O-N 2.67Å; D529-V533 WeakPolarHBondContact O-CB 3.46Å; D529-V533 VanDerWaalsContact O-CG2 3.25Å; D529-V533 WeakPolarHBondContact O-CG2 3.49Å; D529-V533 PolarHBondContact O-N 3.08Å
530H91.9Very high87.5Confident137 Ų13796.2 Ų96.263%0.63451%0.509SS*.Hα-helixtrans-59.3-38.7170.9-75.4-57000112.4N526 M527 S534N526-H530 PolarHBondContact O-CD2 3.39Å; N526-H530 PolarHBondContact O-N 2.87Å; M527-H530 PolarHBondContact O-N 2.79Å; H530-S534 WeakPolarHBondContact O-CB 3.28Å; H530-S534 PolarHBondContact O-N 3.29Å; H530-S534 PolarHBondContact O-OG 3.25Å
531A92.7Very high85.6Confident48 Ų48101.3 Ų101.340%0.39752%0.524SS..Hα-helixtrans-69.6-4217600000112.6M527 K528 D529 S534 L535M527-A531 WeakPolarHBondContact O-CB 3.29Å; M527-A531 PolarHBondContact O-N 3.4Å; K528-A531 CarbonylContact O-C 3.52Å; K528-A531 WeakPolarHBondContact O-CB 3.39Å; K528-A531 PolarHBondContact O-N 3.48Å; D529-A531 VanDerWaalsContact C-N 3.29Å; D529-A531 PolarHBondContact O-N 3.49Å; A531-S534 PolarHBondContact O-N 3.04Å; A531-L535 WeakPolarHBondContact O-CB 3.31Å; A531-L535 WeakPolarHBondContact O-CG 3.15Å; A531-L535 PolarHBondContact O-N 3.2Å
532I89.9Confident83.8Confident102 Ų102103.4 Ų103.452%0.52354%0.536SS..Hα-helixtrans-63.9-44.4175.8-71.6162.4000110.2K528 D529 S534 L535 K536K528-I532 WeakPolarHBondContact O-CB 3.35Å; K528-I532 WeakPolarHBondContact O-CD1 3.4Å; K528-I532 VanDerWaalsContact O-CG1 3.22Å; K528-I532 WeakPolarHBondContact O-CG1 3.32Å; K528-I532 PolarHBondContact O-N 2.94Å; D529-I532 PolarHBondContact O-N 2.67Å; I532-S534 VanDerWaalsContact C-N 3.34Å; I532-S534 PolarHBondContact O-N 3.07Å; I532-L535 PolarHBondContact O-N 2.67Å; I532-K536 VanDerWaalsContact O-CB 3.24Å; I532-K536 WeakPolarHBondContact O-CB 3.29Å; I532-K536 PolarHBondContact O-N 2.99Å
533V88.6Confident81.6Confident75 Ų75102.6 Ų102.646%0.45554%0.542SS..Hα-helixtrans-60.9-43.5174.1169.40000110.5D529 K536 H537D529-V533 WeakPolarHBondContact O-CB 3.46Å; D529-V533 VanDerWaalsContact O-CG2 3.25Å; D529-V533 WeakPolarHBondContact O-CG2 3.49Å; D529-V533 PolarHBondContact O-N 3.08Å; V533-K536 PolarHBondContact O-N 3.46Å; V533-H537 PolarHBondContact O-N 2.73Å; V533-H537 PolarHBondContact O-ND1 2.92Å
534S86.5Confident79.2Confident73 Ų73103 Ų10351%0.5155%0.554SS.*Hα-helixtrans-64.2-46177-59.20000112.2H530 A531 I532 K536 H537 S538H530-S534 WeakPolarHBondContact O-CB 3.28Å; H530-S534 PolarHBondContact O-N 3.29Å; H530-S534 PolarHBondContact O-OG 3.25Å; A531-S534 PolarHBondContact O-N 3.04Å; I532-S534 VanDerWaalsContact C-N 3.34Å; I532-S534 PolarHBondContact O-N 3.07Å; S534-K536 VanDerWaalsContact C-N 3.35Å; S534-K536 PolarHBondContact O-N 3.28Å; S534-H537 PolarHBondContact O-N 2.71Å; S534-S538 PolarHBondContact O-N 3.04Å; S534-S538 VanDerWaalsContact O-N 3.1Å; S534-S538 PolarHBondContact O-OG 3.14Å
535L84Confident76.7Confident112 Ų112103.5 Ų103.559%0.58657%0.568SS**Hα-helixtrans-62.6-40.3175.6-74.9169.5000111.5A531 I532 H537 S538 S539A531-L535 WeakPolarHBondContact O-CB 3.31Å; A531-L535 WeakPolarHBondContact O-CG 3.15Å; A531-L535 PolarHBondContact O-N 3.2Å; I532-L535 PolarHBondContact O-N 2.67Å; L535-H537 PolarHBondContact O-N 3.05Å; L535-S538 CarbonylContact O-C 3.6Å; L535-S538 WeakPolarHBondContact O-CB 3.44Å; L535-S538 PolarHBondContact O-N 3.39Å; L535-S538 VanDerWaalsContact O-N 3.11Å; L535-S539 PolarHBondContact O-N 3.46Å; L535-S539 PolarHBondContact O-OG 2.96Å
536K83.6Confident74.1Confident150 Ų150104.6 Ų104.665%0.65258%0.584SS**Hα-helixtrans-63.4-40.4176.4-169.9173.6-176.9177.70112I532 V533 S534 S538 S539 N540I532-K536 VanDerWaalsContact O-CB 3.24Å; I532-K536 WeakPolarHBondContact O-CB 3.29Å; I532-K536 PolarHBondContact O-N 2.99Å; V533-K536 PolarHBondContact O-N 3.46Å; S534-K536 VanDerWaalsContact C-N 3.35Å; S534-K536 PolarHBondContact O-N 3.28Å; K536-S538 VanDerWaalsContact C-N 3.29Å; K536-S538 PolarHBondContact O-N 2.72Å; K536-S539 PolarHBondContact O-N 3.26Å; K536-N540 VanDerWaalsContact O-CB 3.27Å; K536-N540 WeakPolarHBondContact O-CB 3.44Å; K536-N540 PolarHBondContact O-N 3.44Å
537H77Confident71.5Confident125 Ų125108.9 Ų108.958%0.57961%0.607SS**Hα-helixtrans-63.7-32.7172.5-76.396.3000112.8V533 S534 L535V533-H537 PolarHBondContact O-N 2.73Å; V533-H537 PolarHBondContact O-ND1 2.92Å; S534-H537 PolarHBondContact O-N 2.71Å; L535-H537 PolarHBondContact O-N 3.05Å
538S77Confident68.9Low69 Ų69106.3 Ų106.348%0.48360%0.602SS.*Hα-helixtrans-74.3-49.5173.1-66.40000112.5S534 L535 K536 N540 R541 S542S534-S538 PolarHBondContact O-N 3.04Å; S534-S538 VanDerWaalsContact O-N 3.1Å; S534-S538 PolarHBondContact O-OG 3.14Å; L535-S538 CarbonylContact O-C 3.6Å; L535-S538 WeakPolarHBondContact O-CB 3.44Å; L535-S538 PolarHBondContact O-N 3.39Å; L535-S538 VanDerWaalsContact O-N 3.11Å; K536-S538 VanDerWaalsContact C-N 3.29Å; K536-S538 PolarHBondContact O-N 2.72Å; S538-N540 VanDerWaalsContact C-N 3.27Å; S538-N540 PolarHBondContact O-N 3.02Å; S538-R541 WeakPolarHBondContact O-CB 3.46Å; S538-R541 PolarHBondContact O-N 3.49Å; S538-S542 PolarHBondContact O-OG 3.15Å
539S65.3Low66.3Low76 Ų76108.7 Ų108.753%0.53162%0.62SS.*Hα-helixtrans-60-35.4179.2-63.70000112.5L535 K536 R541 S542 S543L535-S539 PolarHBondContact O-N 3.46Å; L535-S539 PolarHBondContact O-OG 2.96Å; K536-S539 PolarHBondContact O-N 3.26Å; S539-R541 PolarHBondContact O-N 3.04Å; S539-R541 VanDerWaalsContact O-N 3.17Å; S539-S542 CarbonylContact O-C 3.57Å; S539-S542 PolarHBondContact O-N 3.34Å; S539-S543 PolarHBondContact O-N 3.05Å; S539-S543 VanDerWaalsContact O-N 3.14Å
540N60.2Low64Low126 Ų126109.9 Ų109.967%0.67464%0.635SS**THydrogen-bonded Turntrans-73.21.5175.7-15391.9000113.6K536 S538K536-N540 VanDerWaalsContact O-CB 3.27Å; K536-N540 WeakPolarHBondContact O-CB 3.44Å; K536-N540 PolarHBondContact O-N 3.44Å; S538-N540 VanDerWaalsContact C-N 3.27Å; S538-N540 PolarHBondContact O-N 3.02Å
541R55.9Low61.9Low220 Ų220109.4 Ų109.483%0.8364%0.637SS**THydrogen-bonded Turntrans-104.2-6.8165.2-60.7177.6-176.1-155.20.2113S538 S539S538-R541 WeakPolarHBondContact O-CB 3.46Å; S538-R541 PolarHBondContact O-N 3.49Å; S539-R541 PolarHBondContact O-N 3.04Å; S539-R541 VanDerWaalsContact O-N 3.17Å
542S54.6Low59.8Low85 Ų85116.1 Ų116.159%0.59466%0.657SS**THydrogen-bonded Turntrans-123.22.6-170.7-55.60000113.8S538 S539 S544S538-S542 PolarHBondContact O-OG 3.15Å; S539-S542 CarbonylContact O-C 3.57Å; S539-S542 PolarHBondContact O-N 3.34Å; S542-S544 PolarHBondContact O-N 3.31Å
543S50.7Low57.3Low90 Ų90116.2 Ų116.263%0.62967%0.666SS**  trans-77.848.7-174.558.90000114.1S539S539-S543 PolarHBondContact O-N 3.05Å; S539-S543 VanDerWaalsContact O-N 3.14Å
544S43.8Very low55.3Low116 Ų116118.6 Ų118.681%0.81169%0.685SS**SBendtrans-131.728.5-176-61.20000113.6S542S542-S544 PolarHBondContact O-N 3.31Å
545S41.9Very low53Low109 Ų109122.1 Ų122.176%0.76270%0.698SS**  trans-157.7145.2170.543.40000113.2
546S39.3Very low50.5Low108 Ų108122.6 Ų122.676%0.75571%0.706SS**  trans-65.1168.6168.7-420000110.7
547N38Very low48.3Very low147 Ų147122.5 Ų122.579%0.78671%0.713SS**  cis-170.5162.140.6-152.920.1000114.2
548S40.1Very low46.2Very low84 Ų84122.4 Ų122.459%0.58772%0.721SS**  trans18.3136.8154.3-59.60000125.3
549N38.8Very low44.2Very low149 Ų149125.1 Ų125.180%0.79774%0.74SS**  trans91.6130.8134.3-71.1-3.4000123.8
550S44Very low42.6Very low107 Ų107130.7 Ų130.775%0.74876%0.757SS**  trans71.2143.1158.678.90000116.7
551N47.8Very low41.5Very low127 Ų127130 Ų13068%0.67976%0.762SS**  cis-154.6159.932.8-103.3-68.9000114
552K49.9Very low40.5Very low189 Ų189128.7 Ų128.782%0.82277%0.766SS**  trans45.9111.2146.7-63.7174.3-179.1-179.90120.4
553S36.6Very low39.9Very low103 Ų103130.3 Ų130.372%0.7277%0.774SS**  trans-86153.2143.2-170.30000110
554C46.4Very low39.2Very low125 Ų125136.1 Ų136.185%0.84579%0.788SS**  trans-144.412316447.80000110
555D37.9Very low39Very low148 Ų148138.8 Ų138.879%0.79179%0.788SS**  trans-97.3150-169.9-78.2-77.8000114.1
556T32Very low39Very low122 Ų122141.8 Ų141.875%0.74879%0.79SS**  trans-54.8138.5176.6-43.50000113.3
557N37.9Very low38.9Very low148 Ų148140.3 Ų140.379%0.79178%0.784SS**  trans-162.9119.3141.7-106.9-45.8000115.3
558T31.6Very low39.3Very low123 Ų123143.3 Ų143.376%0.75579%0.79SS**  trans18.3117.7139.7-45.90000119.9
559S35Very low39.6Very low126 Ų126147.2 Ų147.288%0.88180%0.799SS**  trans-110.8118166.4-640000111.8
560Q32.9Very low39.8Very low192 Ų192146.4 Ų146.490%0.89779%0.791SS**  trans-154.6109.2168-170.4-179.577.400111
561S37.5Very low40Very low111 Ų111149.8 Ų149.878%0.77680%0.795SS**  trans-155.6113.917847.80000114.5
562Q35Very low39.9Very low193 Ų193153 Ų15390%0.90281%0.806SS**  trans44.5130142.3-62.8-177.9-22.100122.3
563P40.4Very low39.8Very low119 Ų119151 Ų15177%0.77380%0.799SS**  trans-108.5151.4160.937.8-29.8000114.8
564K36Very low40.4Very low212 Ų212152 Ų15292%0.92279%0.793SS**  trans67.9126153.4-69.4-178.7175.1-175.30120.8
565Q41Very low40.4Very low173 Ų173153.8 Ų153.881%0.80879%0.789SS**  trans-99.6151.7160.4-79176.5-40.900111.7
566Q41.6Very low41Very low171 Ų171153.5 Ų153.580%0.79978%0.782SS**  trans51.5101.4143-64.7169.3-72.100119.5
567A36.6Very low42.2Very low78 Ų78151.2 Ų151.265%0.64577%0.769SS**  trans-79.7141.1152.600000110.8
568K46.1Very low43.1Very low209 Ų209150.5 Ų150.591%0.90976%0.761SS**  trans-156.616.5165-137.4179.7-179.3-177.10116.6
569E47Very low44.6Very low166 Ų166149.9 Ų149.978%0.77675%0.753SS**  trans-119.6-0.6-173.6-63.3-173.7136.400114.6Q571E569-Q571 VanDerWaalsContact C-N 3.26Å; E569-Q571 PolarHBondContact O-N 3.48Å; E569-Q571 VanDerWaalsContact O-N 3.16Å
570E43.6Very low46.4Very low132 Ų132150.2 Ų150.262%0.61774%0.74SS**G310 helixtrans-69.3-16.4-169.7-68178.695.500114.9Q572 Q573 Q574E570-Q572 VanDerWaalsContact C-N 3.33Å; E570-Q572 PolarHBondContact O-N 2.94Å; E570-Q573 PolarHBondContact O-N 2.83Å; E570-Q574 WeakPolarHBondContact O-CG 3.16Å
571Q46.2Very low48.6Very low179 Ų179146.9 Ų146.984%0.83673%0.725SS**G310 helixtrans-81.30.1-169.1-125.3175.67.800116.1E569E569-Q571 VanDerWaalsContact C-N 3.26Å; E569-Q571 PolarHBondContact O-N 3.48Å; E569-Q571 VanDerWaalsContact O-N 3.16Å
572Q46.9Very low50.4Low194 Ų194144.6 Ų144.691%0.90770%0.702SS**G310 helixtrans-120.3-3168.7-72.1-171.5-1.100114.2E570E570-Q572 VanDerWaalsContact C-N 3.33Å; E570-Q572 PolarHBondContact O-N 2.94Å
573Q48.5Very low52.5Low146 Ų146141.6 Ų141.668%0.68269%0.688SS**THydrogen-bonded Turntrans-94.4-6.5172.2-68.3-170.318.900113.5E570 Q575 H576 P577E570-Q573 PolarHBondContact O-N 2.83Å; Q573-Q575 PolarHBondContact O-N 2.84Å; Q573-H576 PolarHBondContact O-N 3.48Å; Q573-P577 WeakPolarHBondContact O-CD 3.44Å
574Q48.3Very low54.4Low125 Ų125142.3 Ų142.358%0.58468%0.681SS**THydrogen-bonded Turntrans-69.6-25.8-171.3-82.9171.32.100116.4E570E570-Q574 WeakPolarHBondContact O-CG 3.16Å
575Q47.2Very low56.5Low163 Ų163137.8 Ų137.876%0.76266%0.663SS**Hα-helixtrans-74.4-27.5178.7-73.1-171.5-11.300114Q573 E578 L579Q573-Q575 PolarHBondContact O-N 2.84Å; Q575-E578 PolarHBondContact O-N 3.25Å; Q575-L579 PolarHBondContact O-N 2.86Å
576H49.9Very low58.2Low142 Ų142133.2 Ų133.266%0.65764%0.641SS**Hα-helixtrans-75.9-37.7-172.8-147.8-50.6000114.3Q573 E578 Q580Q573-H576 PolarHBondContact O-N 3.48Å; H576-E578 VanDerWaalsContact C-N 3.33Å; H576-Q580 PolarHBondContact O-N 3.32Å
577P57Low60Low73 Ų73130.9 Ų130.947%0.47463%0.631SS.*Hα-helixtrans-63.1-35.3169.9-25.634.7000113.2Q573 Q580 Q581Q573-P577 WeakPolarHBondContact O-CD 3.44Å; P577-Q580 PolarHBondContact O-N 3.44Å; P577-Q581 VanDerWaalsContact O-CB 3.26Å; P577-Q581 WeakPolarHBondContact O-CB 3.45Å; P577-Q581 PolarHBondContact O-N 3.47Å
578E56.2Low62.2Low134 Ų134133.3 Ų133.363%0.62663%0.629SS**Hα-helixtrans-68.6-43.3-176-154.7177.7143.300111.4Q575 H576 Q580 Q581 Q582Q575-E578 PolarHBondContact O-N 3.25Å; H576-E578 VanDerWaalsContact C-N 3.33Å; E578-Q580 VanDerWaalsContact C-N 3.34Å; E578-Q580 PolarHBondContact O-N 2.89Å; E578-Q581 PolarHBondContact O-N 3.22Å; E578-Q582 WeakPolarHBondContact O-CB 3.41Å; E578-Q582 PolarHBondContact O-N 2.79Å
579L63.7Low63.8Low109 Ų109128.8 Ų128.857%0.57161%0.611SS**Hα-helixtrans-63.5-38.7173.2-166.572000112.2Q575 Q582 Q583Q575-L579 PolarHBondContact O-N 2.86Å; L579-Q582 PolarHBondContact O-N 2.96Å; L579-Q583 PolarHBondContact O-N 2.91Å
580Q73.5Confident65.3Low133 Ų133125.3 Ų125.362%0.62160%0.595SS**Hα-helixtrans-71.3-36.8177.9-166.5170.52100112.2H576 P577 E578 Q583 Q584H576-Q580 PolarHBondContact O-N 3.32Å; P577-Q580 PolarHBondContact O-N 3.44Å; E578-Q580 VanDerWaalsContact C-N 3.34Å; E578-Q580 PolarHBondContact O-N 2.89Å; Q580-Q583 PolarHBondContact O-N 2.89Å; Q580-Q584 WeakPolarHBondContact O-CB 3.35Å; Q580-Q584 PolarHBondContact O-N 3.26Å
581Q78Confident67.1Low123 Ų123125.3 Ų125.358%0.57560%0.595SS**Hα-helixtrans-66.6-42.2173.1-166.9-173.8121.800111P577 E578 Q583 Q584 Q585P577-Q581 VanDerWaalsContact O-CB 3.26Å; P577-Q581 WeakPolarHBondContact O-CB 3.45Å; P577-Q581 PolarHBondContact O-N 3.47Å; E578-Q581 PolarHBondContact O-N 3.22Å; Q581-Q583 VanDerWaalsContact C-N 3.35Å; Q581-Q583 PolarHBondContact O-N 3.5Å; Q581-Q584 PolarHBondContact O-N 2.85Å; Q581-Q585 VanDerWaalsContact O-CB 3.31Å; Q581-Q585 WeakPolarHBondContact O-CB 3.35Å; Q581-Q585 PolarHBondContact O-N 3.28Å
582Q75.8Confident68.8Low63 Ų63122.8 Ų122.829%0.29458%0.583SS.*Hα-helixtrans-61-42.7174.9-167.6-177.6104.300111.3E578 L579 Q585 Q586E578-Q582 WeakPolarHBondContact O-CB 3.41Å; E578-Q582 PolarHBondContact O-N 2.79Å; L579-Q582 PolarHBondContact O-N 2.96Å; Q582-Q585 PolarHBondContact O-N 2.84Å; Q582-Q586 WeakPolarHBondContact O-CB 3.39Å; Q582-Q586 PolarHBondContact O-N 3.07Å
583Q78.1Confident70.1Confident129 Ų129116 Ų11660%0.60355%0.551SS**Hα-helixtrans-62.8-43.9174.6-169.5-175.7105.500112.2L579 Q580 Q581 Q586 Q587L579-Q583 PolarHBondContact O-N 2.91Å; Q580-Q583 PolarHBondContact O-N 2.89Å; Q581-Q583 VanDerWaalsContact C-N 3.35Å; Q581-Q583 PolarHBondContact O-N 3.5Å; Q583-Q586 PolarHBondContact O-N 3.4Å; Q583-Q587 WeakPolarHBondContact O-CB 3.28Å; Q583-Q587 PolarHBondContact O-N 3.26Å
584Q81.3Confident71.6Confident134 Ų134115.4 Ų115.463%0.62655%0.548SS*.Hα-helixtrans-65.1-40.7177.5-174.1175.882.500111.9Q580 Q581 Q587 Q588Q580-Q584 WeakPolarHBondContact O-CB 3.35Å; Q580-Q584 PolarHBondContact O-N 3.26Å; Q581-Q584 PolarHBondContact O-N 2.85Å; Q584-Q587 PolarHBondContact O-N 2.86Å; Q584-Q588 WeakPolarHBondContact O-CB 3.04Å; Q584-Q588 PolarHBondContact O-N 3.3Å
585Q79.8Confident73.2Confident117 Ų117115.5 Ų115.555%0.54755%0.549SS..Hα-helixtrans-65.5-41176.8-165.9-178.7102.200111.6Q581 Q582 Q588 Q589Q581-Q585 VanDerWaalsContact O-CB 3.31Å; Q581-Q585 WeakPolarHBondContact O-CB 3.35Å; Q581-Q585 PolarHBondContact O-N 3.28Å; Q582-Q585 PolarHBondContact O-N 2.84Å; Q585-Q588 PolarHBondContact O-N 3.17Å; Q585-Q589 WeakPolarHBondContact O-CB 3.41Å; Q585-Q589 PolarHBondContact O-N 2.96Å
586Q77.2Confident74.7Confident77 Ų77112.5 Ų112.536%0.3654%0.535SS..Hα-helixtrans-62.2-42.2174-166.3-175.9104.100111.6H271 Q582 Q583 Q589 Q590H271-Q586 PolarHBondContact CD2-NE2 3.26Å; Q582-Q586 WeakPolarHBondContact O-CB 3.39Å; Q582-Q586 PolarHBondContact O-N 3.07Å; Q583-Q586 PolarHBondContact O-N 3.4Å; Q586-Q589 PolarHBondContact O-N 3.08Å; Q586-Q590 WeakPolarHBondContact O-CB 3.45Å; Q586-Q590 PolarHBondContact O-N 3.47Å
587Q80.2Confident76Confident123 Ų123110.1 Ų110.158%0.57552%0.524SS*.Hα-helixtrans-65.7-40.8176.5-162.9-179.1108.100112.1Q583 Q584 Q590 Q591Q583-Q587 WeakPolarHBondContact O-CB 3.28Å; Q583-Q587 PolarHBondContact O-N 3.26Å; Q584-Q587 PolarHBondContact O-N 2.86Å; Q587-Q590 PolarHBondContact O-N 3.29Å; Q587-Q591 PolarHBondContact O-N 3.01Å
588Q82.1Confident77.2Confident128 Ų128112.7 Ų112.760%0.59853%0.529SS*.Hα-helixtrans-65.5-40.5176.4-165.6179.4100.900111.8Q584 Q585 Q591 Q592Q584-Q588 WeakPolarHBondContact O-CB 3.04Å; Q584-Q588 PolarHBondContact O-N 3.3Å; Q585-Q588 PolarHBondContact O-N 3.17Å; Q588-Q591 PolarHBondContact O-N 2.94Å; Q588-Q592 PolarHBondContact O-N 3.33Å
589Q78.5Confident78.4Confident115 Ų115112.3 Ų112.354%0.53753%0.528SS..Hα-helixtrans-64.3-39.2175.1-163.6-175.6105.100112Q585 Q586 Q592 Q593Q585-Q589 WeakPolarHBondContact O-CB 3.41Å; Q585-Q589 PolarHBondContact O-N 2.96Å; Q586-Q589 PolarHBondContact O-N 3.08Å; Q589-Q592 PolarHBondContact O-N 3.08Å; Q589-Q593 PolarHBondContact O-N 3.27Å
590Q78.5Confident78.9Confident93 Ų93110.5 Ų110.544%0.43552%0.516SS..Hα-helixtrans-65.3-39.3175.3-161.2-177.3102.200111.9Q586 Q587 Q593 Q594Q586-Q590 WeakPolarHBondContact O-CB 3.45Å; Q586-Q590 PolarHBondContact O-N 3.47Å; Q587-Q590 PolarHBondContact O-N 3.29Å; Q590-Q593 PolarHBondContact O-N 2.9Å; Q590-Q594 PolarHBondContact O-N 3.37Å; Q590-Q594 VanDerWaalsContact O-N 3.16Å
591Q82.3Confident79.1Confident132 Ų132110.3 Ų110.362%0.61752%0.515SS*.Hα-helixtrans-65.5-38.9174.6-162.2179.5103.600111.8Q587 Q588 Q594 Q595Q587-Q591 PolarHBondContact O-N 3.01Å; Q588-Q591 PolarHBondContact O-N 2.94Å; Q591-Q594 PolarHBondContact O-N 3.01Å; Q591-Q595 PolarHBondContact O-N 3.4Å; Q591-Q595 VanDerWaalsContact O-N 3.07Å
592Q82Confident79.3Confident126 Ų126110.5 Ų110.559%0.58952%0.516SS*.Hα-helixtrans-66.8-39.2177-162.9-18098.800112.5Q588 Q589 Q594 Q595 Q596Q588-Q592 PolarHBondContact O-N 3.33Å; Q589-Q592 PolarHBondContact O-N 3.08Å; Q592-Q594 VanDerWaalsContact C-N 3.35Å; Q592-Q594 PolarHBondContact O-N 3.47Å; Q592-Q595 PolarHBondContact O-N 3.45Å; Q592-Q596 WeakPolarHBondContact O-CB 3.48Å; Q592-Q596 PolarHBondContact O-N 2.91Å
593Q74.8Confident79.4Confident51 Ų51112.8 Ų112.824%0.23853%0.527CS..Hα-helixtrans-58.3-46.1170.2-75.2-179.47.900111.6Q589 Q590 Q595 Q596 Q597Q589-Q593 PolarHBondContact O-N 3.27Å; Q590-Q593 PolarHBondContact O-N 2.9Å; Q593-Q595 VanDerWaalsContact C-N 3.33Å; Q593-Q595 PolarHBondContact O-N 3.31Å; Q593-Q596 PolarHBondContact O-N 3.2Å; Q593-Q597 WeakPolarHBondContact O-CB 3.48Å; Q593-Q597 PolarHBondContact O-N 2.86Å
594Q79.9Confident79.2Confident133 Ų133111.3 Ų111.362%0.62152%0.52SS*.Hα-helixtrans-62.7-40.6-177.8-153.7-177.4107.700111.7Q590 Q591 Q592 Q597 Q598Q590-Q594 PolarHBondContact O-N 3.37Å; Q590-Q594 VanDerWaalsContact O-N 3.16Å; Q591-Q594 PolarHBondContact O-N 3.01Å; Q592-Q594 VanDerWaalsContact C-N 3.35Å; Q592-Q594 PolarHBondContact O-N 3.47Å; Q594-Q597 PolarHBondContact O-N 3.11Å; Q594-Q598 WeakPolarHBondContact O-CB 3.34Å; Q594-Q598 PolarHBondContact O-N 2.71Å
595Q82.4Confident79.1Confident128 Ų128111 Ų11160%0.59852%0.519SS*.Hα-helixtrans-65.4-42.1175.2-162.8-178.810000112.2Q591 Q592 Q593 Q598 Q599Q591-Q595 PolarHBondContact O-N 3.4Å; Q591-Q595 VanDerWaalsContact O-N 3.07Å; Q592-Q595 PolarHBondContact O-N 3.45Å; Q593-Q595 VanDerWaalsContact C-N 3.33Å; Q593-Q595 PolarHBondContact O-N 3.31Å; Q595-Q598 PolarHBondContact O-N 3.17Å; Q595-Q599 PolarHBondContact O-N 3.43Å
596Q78.6Confident79.1Confident99 Ų99111.1 Ų111.146%0.46352%0.519SS..Hα-helixtrans-65.8-38.9177.4-162.5-178.7111.500112.1Q592 Q593 Q599 Q600Q592-Q596 WeakPolarHBondContact O-CB 3.48Å; Q592-Q596 PolarHBondContact O-N 2.91Å; Q593-Q596 PolarHBondContact O-N 3.2Å; Q596-Q599 PolarHBondContact O-N 3.19Å; Q596-Q600 PolarHBondContact O-N 2.89Å; Q596-Q600 VanDerWaalsContact O-N 3.11Å
597Q76.8Confident78.9Confident92 Ų92110.9 Ų110.943%0.4352%0.518SS..Hα-helixtrans-65.3-41.2175.5-164.8-179.4111.400111.8Q593 Q594 Q600 Q601Q593-Q597 WeakPolarHBondContact O-CB 3.48Å; Q593-Q597 PolarHBondContact O-N 2.86Å; Q594-Q597 PolarHBondContact O-N 3.11Å; Q597-Q600 PolarHBondContact O-N 3.03Å; Q597-Q601 PolarHBondContact O-N 2.9Å; Q597-Q601 VanDerWaalsContact O-N 3.08Å
598Q81.5Confident78.7Confident127 Ų127110.7 Ų110.759%0.59352%0.517SS*.Hα-helixtrans-63.9-40.6175.5-163.1-178.2107.100111.8Q594 Q595 Q601 Q602Q594-Q598 WeakPolarHBondContact O-CB 3.34Å; Q594-Q598 PolarHBondContact O-N 2.71Å; Q595-Q598 PolarHBondContact O-N 3.17Å; Q598-Q601 PolarHBondContact O-N 3.47Å; Q598-Q602 PolarHBondContact O-N 2.9Å
599Q81.3Confident78.5Confident126 Ų126110.2 Ų110.259%0.58952%0.515SS*.Hα-helixtrans-64-41.7177.6-164.3-177.99800112.3Q595 Q596 Q602 Q603Q595-Q599 PolarHBondContact O-N 3.43Å; Q596-Q599 PolarHBondContact O-N 3.19Å; Q599-Q602 PolarHBondContact O-N 2.99Å; Q599-Q603 PolarHBondContact O-N 2.98Å
600Q74.8Confident78.3Confident72 Ų72110.2 Ų110.234%0.33652%0.515SS..Hα-helixtrans-64.7-40.3173.3-74-164.934.500112.6Q596 Q597 Q602 Q603 Q604Q596-Q600 PolarHBondContact O-N 2.89Å; Q596-Q600 VanDerWaalsContact O-N 3.11Å; Q597-Q600 PolarHBondContact O-N 3.03Å; Q600-Q602 VanDerWaalsContact C-N 3.29Å; Q600-Q602 PolarHBondContact O-N 3.1Å; Q600-Q603 PolarHBondContact O-N 3.41Å; Q600-Q604 WeakPolarHBondContact O-CB 3.16Å; Q600-Q604 PolarHBondContact O-N 2.89Å
601Q78.1Confident77.9Confident128 Ų128108.5 Ų108.560%0.59851%0.507SS*.Hα-helixtrans-61.5-40.6177.8-160.3-176.9109.500111.2Q597 Q598 Q604 Q605Q597-Q601 PolarHBondContact O-N 2.9Å; Q597-Q601 VanDerWaalsContact O-N 3.08Å; Q598-Q601 PolarHBondContact O-N 3.47Å; Q601-Q604 PolarHBondContact O-N 3.31Å; Q601-Q605 WeakPolarHBondContact O-CB 3.37Å; Q601-Q605 PolarHBondContact O-N 3.23Å
602Q81.3Confident77.4Confident127 Ų127107.3 Ų107.359%0.59350%0.501SS*.Hα-helixtrans-64.8-43.2175-160.4-177.4101.600112.1Q598 Q599 Q600 Q604 Q605 Q606Q598-Q602 PolarHBondContact O-N 2.9Å; Q599-Q602 PolarHBondContact O-N 2.99Å; Q600-Q602 VanDerWaalsContact C-N 3.29Å; Q600-Q602 PolarHBondContact O-N 3.1Å; Q602-Q604 PolarHBondContact O-N 3.49Å; Q602-Q605 PolarHBondContact O-N 2.92Å; Q602-Q606 PolarHBondContact O-N 3.36Å
603Q77.3Confident76.9Confident111 Ų111106.8 Ų106.852%0.51950%0.499SS..Hα-helixtrans-64.1-39.3177.2-162.8-175.1107.500112.4Q599 Q600 Q606 Q607Q599-Q603 PolarHBondContact O-N 2.98Å; Q600-Q603 PolarHBondContact O-N 3.41Å; Q603-Q606 PolarHBondContact O-N 2.87Å; Q603-Q607 PolarHBondContact O-N 3.41Å; Q603-Q607 VanDerWaalsContact O-N 3.09Å
604Q74.6Confident76.5Confident99 Ų99110 Ų11046%0.46351%0.514SS..Hα-helixtrans-65.9-39.6175.9-163179.5116.100111.7Q600 Q601 Q602 Q607 Q608Q600-Q604 WeakPolarHBondContact O-CB 3.16Å; Q600-Q604 PolarHBondContact O-N 2.89Å; Q601-Q604 PolarHBondContact O-N 3.31Å; Q602-Q604 PolarHBondContact O-N 3.49Å; Q604-Q607 PolarHBondContact O-N 2.89Å; Q604-Q608 PolarHBondContact O-N 2.91Å; Q604-Q608 VanDerWaalsContact O-N 3.13Å
605Q79Confident75.6Confident127 Ų127108.7 Ų108.759%0.59351%0.508SS*.Hα-helixtrans-64.4-40175-157.8-178.4107.300111.6Q601 Q602 Q608 Q609Q601-Q605 WeakPolarHBondContact O-CB 3.37Å; Q601-Q605 PolarHBondContact O-N 3.23Å; Q602-Q605 PolarHBondContact O-N 2.92Å; Q605-Q608 WeakPolarHBondContact O-CB 3.36Å; Q605-Q608 PolarHBondContact O-N 3.37Å; Q605-Q609 PolarHBondContact O-N 2.78Å
606Q79.6Confident74.6Confident119 Ų119108.5 Ų108.556%0.55651%0.507SS*.Hα-helixtrans-65.8-41.2177.6-161-176.897.800112.7Q602 Q603 Q608 Q609 Q610Q602-Q606 PolarHBondContact O-N 3.36Å; Q603-Q606 PolarHBondContact O-N 2.87Å; Q606-Q608 VanDerWaalsContact C-N 3.33Å; Q606-Q608 PolarHBondContact O-N 2.85Å; Q606-Q609 PolarHBondContact O-N 3.3Å; Q606-Q610 PolarHBondContact O-N 2.93Å; Q606-Q610 VanDerWaalsContact O-N 3.08Å
607Q74.2Confident73.4Confident73 Ų73108.4 Ų108.434%0.34151%0.509SS..Hα-helixtrans-60.1-41.6170.8-85.8-171.442.400112.2Q603 Q604 Q609 Q610 Q611Q603-Q607 PolarHBondContact O-N 3.41Å; Q603-Q607 VanDerWaalsContact O-N 3.09Å; Q604-Q607 PolarHBondContact O-N 2.89Å; Q607-Q609 VanDerWaalsContact C-N 3.3Å; Q607-Q609 PolarHBondContact O-N 3.01Å; Q607-Q610 PolarHBondContact O-N 2.88Å; Q607-Q611 PolarHBondContact O-N 3.49Å; Q607-Q611 VanDerWaalsContact O-N 3.08Å
608Q75Confident72.3Confident119 Ų119110.1 Ų110.156%0.55652%0.515SS*.Hα-helixtrans-64.7-37.2179.5-152.6-177.7109.500111.5Q604 Q605 Q606 Q611 Q612Q604-Q608 PolarHBondContact O-N 2.91Å; Q604-Q608 VanDerWaalsContact O-N 3.13Å; Q605-Q608 WeakPolarHBondContact O-CB 3.36Å; Q605-Q608 PolarHBondContact O-N 3.37Å; Q606-Q608 VanDerWaalsContact C-N 3.33Å; Q606-Q608 PolarHBondContact O-N 2.85Å; Q608-Q611 PolarHBondContact O-N 3.35Å; Q608-Q612 PolarHBondContact O-N 2.65Å; Q608-Q612 VanDerWaalsContact O-N 3.13Å
609Q77.5Confident70.8Confident117 Ų117108.2 Ų108.255%0.54751%0.506SS..Hα-helixtrans-67.5-39.9176-152.7-179.795.700112.3Q605 Q606 Q607 Q611 Q612 Q613Q605-Q609 PolarHBondContact O-N 2.78Å; Q606-Q609 PolarHBondContact O-N 3.3Å; Q607-Q609 VanDerWaalsContact C-N 3.3Å; Q607-Q609 PolarHBondContact O-N 3.01Å; Q609-Q611 VanDerWaalsContact C-N 3.35Å; Q609-Q611 PolarHBondContact O-N 2.65Å; Q609-Q612 PolarHBondContact O-N 2.66Å; Q609-Q613 PolarHBondContact O-N 2.71Å
610Q74.5Confident69.1Low115 Ų115109 Ų10954%0.53751%0.51SS..Hα-helixtrans-60.8-40.4171-78.6-166.614.500112.6Q606 Q607 Q612 Q613 Q614Q606-Q610 PolarHBondContact O-N 2.93Å; Q606-Q610 VanDerWaalsContact O-N 3.08Å; Q607-Q610 PolarHBondContact O-N 2.88Å; Q610-Q612 VanDerWaalsContact C-N 3.29Å; Q610-Q612 PolarHBondContact O-N 3.28Å; Q610-Q613 PolarHBondContact O-N 3.38Å; Q610-Q614 PolarHBondContact O-N 2.87Å
611Q70.4Confident67.9Low57 Ų57111.3 Ų111.327%0.26652%0.521SS..Hα-helixtrans-65.5-31.1176.2-73-165.914.400112.8Q607 Q608 Q609 Q615Q607-Q611 PolarHBondContact O-N 3.49Å; Q607-Q611 VanDerWaalsContact O-N 3.08Å; Q608-Q611 PolarHBondContact O-N 3.35Å; Q609-Q611 VanDerWaalsContact C-N 3.35Å; Q609-Q611 PolarHBondContact O-N 2.65Å; Q611-Q615 WeakPolarHBondContact O-CG 3.42Å; Q611-Q615 PolarHBondContact O-N 3.23Å; Q611-Q615 PolarHBondContact O-NE2 3.32Å; Q611-Q615 VanDerWaalsContact O-NE2 3.17Å
612Q72Confident66.1Low107 Ų107109.7 Ų109.750%0.551%0.513SS..Hα-helixtrans-70.7-44.7173-69.5-16727.400112Q608 Q609 Q610 Q614 Q615 Q616Q608-Q612 PolarHBondContact O-N 2.65Å; Q608-Q612 VanDerWaalsContact O-N 3.13Å; Q609-Q612 PolarHBondContact O-N 2.66Å; Q610-Q612 VanDerWaalsContact C-N 3.29Å; Q610-Q612 PolarHBondContact O-N 3.28Å; Q612-Q614 PolarHBondContact O-N 2.91Å; Q612-Q615 PolarHBondContact O-N 3.49Å; Q612-Q615 VanDerWaalsContact O-N 3.08Å; Q612-Q616 PolarHBondContact O-N 2.95Å
613Q71.4Confident64.5Low115 Ų115107.1 Ų107.154%0.53751%0.507SS..Hα-helixtrans-59.7-43.4176-71.7-170.61000112.1Q609 Q610 Q615 Q616 L617Q609-Q613 PolarHBondContact O-N 2.71Å; Q610-Q613 PolarHBondContact O-N 3.38Å; Q613-Q615 VanDerWaalsContact C-N 3.26Å; Q613-Q615 PolarHBondContact O-N 3.39Å; Q613-Q616 PolarHBondContact O-N 3.37Å; Q613-L617 WeakPolarHBondContact O-CG 3.42Å; Q613-L617 PolarHBondContact O-N 3.37Å
614Q65.5Low63.3Low119 Ų119107 Ų10756%0.55651%0.51SS*.Hα-helixtrans-63.2-30.1175.1-73.2-171.14900113.3Q610 Q612 K618Q610-Q614 PolarHBondContact O-N 2.87Å; Q612-Q614 PolarHBondContact O-N 2.91Å; Q614-K618 WeakPolarHBondContact O-CB 3.43Å; Q614-K618 PolarHBondContact O-N 3.41Å
615Q62Low62.2Low106 Ų106108.8 Ų108.850%0.49552%0.519SS..Hα-helixtrans-76.2-34.8173.8-77.4177.480.300112.7Q611 Q612 Q613 K618 Q619Q611-Q615 WeakPolarHBondContact O-CG 3.42Å; Q611-Q615 PolarHBondContact O-N 3.23Å; Q611-Q615 PolarHBondContact O-NE2 3.32Å; Q611-Q615 VanDerWaalsContact O-NE2 3.17Å; Q612-Q615 PolarHBondContact O-N 3.49Å; Q612-Q615 VanDerWaalsContact O-N 3.08Å; Q613-Q615 VanDerWaalsContact C-N 3.26Å; Q613-Q615 PolarHBondContact O-N 3.39Å; Q615-K618 PolarHBondContact O-N 3.38Å; Q615-Q619 PolarHBondContact O-N 2.92Å; Q615-Q619 VanDerWaalsContact O-N 3.09Å
616Q60.4Low61.1Low124 Ų124107.4 Ų107.458%0.57951%0.512SS*.Hα-helixtrans-67.3-47.1173.3-71-177.43.800111.4Q612 Q613 K618 Q619 Q620Q612-Q616 PolarHBondContact O-N 2.95Å; Q613-Q616 PolarHBondContact O-N 3.37Å; Q616-K618 PolarHBondContact O-N 2.92Å; Q616-Q619 PolarHBondContact O-N 3.22Å; Q616-Q620 PolarHBondContact O-N 3.43Å
617L54.4Low60.2Low96 Ų96106.4 Ų106.450%0.50351%0.507SS..Hα-helixtrans-56.8-37.3174.6-75.3163.8000112.6Q613 H621Q613-L617 WeakPolarHBondContact O-CG 3.42Å; Q613-L617 PolarHBondContact O-N 3.37Å; L617-H621 PolarHBondContact O-N 2.99Å; L617-H621 PolarHBondContact O-ND1 2.95Å
618K52.6Low59.7Low128 Ų128107.8 Ų107.856%0.55752%0.517SS*.Hα-helixtrans-72.4-23.3173.6-91.8-179.5172.3171.90115Q614 Q615 Q616Q614-K618 WeakPolarHBondContact O-CB 3.43Å; Q614-K618 PolarHBondContact O-N 3.41Å; Q615-K618 PolarHBondContact O-N 3.38Å; Q616-K618 PolarHBondContact O-N 2.92Å
619Q50.9Low59.3Low88 Ų88106.7 Ų106.741%0.41151%0.511SS..Hα-helixtrans-82.4-39.3171.1-77.4-176.392.500111.1Q615 Q616 H621 Q622 P623Q615-Q619 PolarHBondContact O-N 2.92Å; Q615-Q619 VanDerWaalsContact O-N 3.09Å; Q616-Q619 PolarHBondContact O-N 3.22Å; Q619-H621 PolarHBondContact O-N 3.03Å; Q619-Q622 WeakPolarHBondContact O-CB 3.36Å; Q619-Q622 PolarHBondContact O-N 3.42Å; Q619-P623 WeakPolarHBondContact O-CD 3.37Å
620Q45.7Very low59Low141 Ų141107.3 Ų107.366%0.65951%0.512SS*.Hα-helixtrans-64.4-37.5-179.4-166.2174.210.500112.9Q616 Q622 P623Q616-Q620 PolarHBondContact O-N 3.43Å; Q620-Q622 VanDerWaalsContact C-N 3.3Å; Q620-P623 WeakPolarHBondContact O-CD 3.29Å
621H48.7Very low58.8Low122 Ų122106.1 Ų106.157%0.56551%0.509SS*.THydrogen-bonded Turntrans-81.2-4.3172.7-77.978.5000114.2L617 Q619 Q625L617-H621 PolarHBondContact O-N 2.99Å; L617-H621 PolarHBondContact O-ND1 2.95Å; Q619-H621 PolarHBondContact O-N 3.03Å; H621-Q625 WeakPolarHBondContact O-CB 3.38Å; H621-Q625 PolarHBondContact O-N 2.91Å
622Q41.2Very low58.8Low93 Ų93106.6 Ų106.644%0.43551%0.512SS..Hα-helixtrans-69.5-44.3-174.9-156.8170.6118.300114.9Q619 Q620 Q625 Q626Q619-Q622 WeakPolarHBondContact O-CB 3.36Å; Q619-Q622 PolarHBondContact O-N 3.42Å; Q620-Q622 VanDerWaalsContact C-N 3.3Å; Q622-Q625 PolarHBondContact O-N 3.38Å; Q622-Q626 WeakPolarHBondContact O-CB 3.38Å; Q622-Q626 VanDerWaalsContact O-CG 3.3Å; Q622-Q626 WeakPolarHBondContact O-CG 3.34Å; Q622-Q626 PolarHBondContact O-N 2.84Å
623P48Very low58.7Low73 Ų73104.3 Ų104.347%0.47451%0.506SS..Hα-helixtrans-62.9-47.617823.4-32.9000111.7Q619 Q620 Q625 Q626 Q627Q619-P623 WeakPolarHBondContact O-CD 3.37Å; Q620-P623 WeakPolarHBondContact O-CD 3.29Å; P623-Q625 PolarHBondContact O-N 3.15Å; P623-Q626 CarbonylContact O-C 3.58Å; P623-Q626 PolarHBondContact O-N 3.39Å; P623-Q626 VanDerWaalsContact O-N 3.16Å; P623-Q627 WeakPolarHBondContact O-CB 3.02Å; P623-Q627 PolarHBondContact O-N 3.15Å
624D51.3Low58.8Low108 Ų108103.8 Ų103.858%0.57851%0.506SS*.Hα-helixtrans-62.9-41.5178.7-67.1-21.9000112.1Q626 Q627 L628D624-Q626 PolarHBondContact O-N 3.05Å; D624-Q627 PolarHBondContact O-N 3.49Å; D624-L628 VanDerWaalsContact O-CB 3.31Å; D624-L628 WeakPolarHBondContact O-CB 3.44Å; D624-L628 PolarHBondContact O-N 2.88Å
625Q51.9Low59.2Low138 Ų138102.8 Ų102.865%0.64550%0.5SS*.Hα-helixtrans-64-40.3174.5-176.1171.4100.500111.6H621 Q622 P623 Q629H621-Q625 WeakPolarHBondContact O-CB 3.38Å; H621-Q625 PolarHBondContact O-N 2.91Å; Q622-Q625 PolarHBondContact O-N 3.38Å; P623-Q625 PolarHBondContact O-N 3.15Å; Q625-Q629 WeakPolarHBondContact O-CB 3.38Å; Q625-Q629 PolarHBondContact O-N 3.31Å
626Q57Low59.6Low98 Ų98100.8 Ų100.846%0.45849%0.493SS..Hα-helixtrans-67.3-36.3174.2-74.6-177.621.700112.4Q622 P623 D624 Q629 K630Q622-Q626 WeakPolarHBondContact O-CB 3.38Å; Q622-Q626 VanDerWaalsContact O-CG 3.3Å; Q622-Q626 WeakPolarHBondContact O-CG 3.34Å; Q622-Q626 PolarHBondContact O-N 2.84Å; P623-Q626 CarbonylContact O-C 3.58Å; P623-Q626 PolarHBondContact O-N 3.39Å; P623-Q626 VanDerWaalsContact O-N 3.16Å; D624-Q626 PolarHBondContact O-N 3.05Å; Q626-Q629 PolarHBondContact O-N 2.89Å; Q626-K630 WeakPolarHBondContact O-CB 3.36Å; Q626-K630 VanDerWaalsContact O-CG 3.25Å; Q626-K630 WeakPolarHBondContact O-CG 3.43Å; Q626-K630 PolarHBondContact O-N 2.98Å
627Q60.1Low60.3Low97 Ų97100.7 Ų100.745%0.45349%0.492SS..Hα-helixtrans-70.9-42.5178.6-169159.2-13.500111P623 D624 Q629 K630 I631P623-Q627 WeakPolarHBondContact O-CB 3.02Å; P623-Q627 PolarHBondContact O-N 3.15Å; D624-Q627 PolarHBondContact O-N 3.49Å; Q627-Q629 PolarHBondContact O-N 3.23Å; Q627-K630 WeakPolarHBondContact O-CB 3.38Å; Q627-K630 PolarHBondContact O-N 2.9Å; Q627-I631 HydrophobicContact CG-CD1 4.41Å; Q627-I631 VanDerWaalsContact O-CG1 3.29Å; Q627-I631 WeakPolarHBondContact O-CG1 3.49Å; Q627-I631 PolarHBondContact O-N 3.22Å
628L64.4Low61.2Low103 Ų10399.5 Ų99.554%0.53949%0.489SS..Hα-helixtrans-62.5-40.7170-175.459.9000111.7D624 K630 I631 I632D624-L628 VanDerWaalsContact O-CB 3.31Å; D624-L628 WeakPolarHBondContact O-CB 3.44Å; D624-L628 PolarHBondContact O-N 2.88Å; L628-K630 PolarHBondContact O-N 3.05Å; L628-I631 PolarHBondContact O-N 2.73Å; L628-I632 HydrophobicContact CD1-CD1 4.34Å; L628-I632 HydrophobicContact CD1-CG1 4.49Å; L628-I632 HydrophobicContact CG-CD1 3.99Å; L628-I632 WeakPolarHBondContact O-CB 3.45Å; L628-I632 VanDerWaalsContact O-CG1 3.28Å; L628-I632 WeakPolarHBondContact O-CG1 3.45Å; L628-I632 PolarHBondContact O-N 2.93Å
629Q66.2Low62.2Low95 Ų9597 Ų9744%0.44448%0.481SS..Hα-helixtrans-65.2-36.9175.9-165.368.45500112Q625 Q626 Q627 T633Q625-Q629 WeakPolarHBondContact O-CB 3.38Å; Q625-Q629 PolarHBondContact O-N 3.31Å; Q626-Q629 PolarHBondContact O-N 2.89Å; Q627-Q629 PolarHBondContact O-N 3.23Å; Q629-T633 WeakPolarHBondContact O-CB 3.5Å; Q629-T633 PolarHBondContact O-N 2.92Å; Q629-T633 PolarHBondContact O-OG1 3.13Å
630K71.3Confident63.2Low130 Ų13094.8 Ų94.857%0.56548%0.481SS*.Hα-helixtrans-63-47.1170.8-74.3163.5-176.7172.30111.2Q626 Q627 L628 I632 T633 L634Q626-K630 WeakPolarHBondContact O-CB 3.36Å; Q626-K630 VanDerWaalsContact O-CG 3.25Å; Q626-K630 WeakPolarHBondContact O-CG 3.43Å; Q626-K630 PolarHBondContact O-N 2.98Å; Q627-K630 WeakPolarHBondContact O-CB 3.38Å; Q627-K630 PolarHBondContact O-N 2.9Å; L628-K630 PolarHBondContact O-N 3.05Å; K630-I632 PolarHBondContact O-N 2.66Å; K630-T633 PolarHBondContact O-N 3.39Å; K630-L634 WeakPolarHBondContact O-CB 3.47Å; K630-L634 WeakPolarHBondContact O-CG 3.43Å; K630-L634 PolarHBondContact O-N 2.85Å
631I69.6Low64.6Low91 Ų9189.3 Ų89.347%0.46746%0.461SS..Hα-helixtrans-61.3-44.3177.6-69163000111.2Q627 L628 L634 K635Q627-I631 HydrophobicContact CG-CD1 4.41Å; Q627-I631 VanDerWaalsContact O-CG1 3.29Å; Q627-I631 WeakPolarHBondContact O-CG1 3.49Å; Q627-I631 PolarHBondContact O-N 3.22Å; L628-I631 PolarHBondContact O-N 2.73Å; I631-L634 PolarHBondContact O-N 2.92Å; I631-K635 WeakPolarHBondContact O-CB 3.31Å; I631-K635 PolarHBondContact O-N 2.89Å
632I70.9Confident65.8Low66 Ų6685.8 Ų85.834%0.33845%0.445SS..Hα-helixtrans-61.1-47.1174-69.2164.9000110.4L628 K630 L634 K635 D636L628-I632 HydrophobicContact CD1-CD1 4.34Å; L628-I632 HydrophobicContact CD1-CG1 4.49Å; L628-I632 HydrophobicContact CG-CD1 3.99Å; L628-I632 WeakPolarHBondContact O-CB 3.45Å; L628-I632 VanDerWaalsContact O-CG1 3.28Å; L628-I632 WeakPolarHBondContact O-CG1 3.45Å; L628-I632 PolarHBondContact O-N 2.93Å; K630-I632 PolarHBondContact O-N 2.66Å; I632-L634 PolarHBondContact O-N 3.25Å; I632-K635 PolarHBondContact O-N 2.74Å; I632-D636 WeakPolarHBondContact O-CB 3.45Å; I632-D636 PolarHBondContact O-N 3.37Å
633T70.1Confident67.4Low60 Ų6085.2 Ų85.237%0.36845%0.448SS..Hα-helixtrans-62.2-42.4179.9-54.70000112Q629 K630 D636 Q637Q629-T633 WeakPolarHBondContact O-CB 3.5Å; Q629-T633 PolarHBondContact O-N 2.92Å; Q629-T633 PolarHBondContact O-OG1 3.13Å; K630-T633 PolarHBondContact O-N 3.39Å; T633-D636 PolarHBondContact O-N 3.49Å; T633-Q637 WeakPolarHBondContact O-CB 3.43Å; T633-Q637 VanDerWaalsContact O-CG 3.25Å; T633-Q637 WeakPolarHBondContact O-CG 3.39Å; T633-Q637 PolarHBondContact O-N 3.45Å
634L73.6Confident68.6Low103 Ų10384.5 Ų84.554%0.53945%0.445SS..Hα-helixtrans-65.7-43.6175.4-72.3167.6000111.4K630 I631 I632 D636 Q637 V638K630-L634 WeakPolarHBondContact O-CB 3.47Å; K630-L634 WeakPolarHBondContact O-CG 3.43Å; K630-L634 PolarHBondContact O-N 2.85Å; I631-L634 PolarHBondContact O-N 2.92Å; I632-L634 PolarHBondContact O-N 3.25Å; L634-D636 PolarHBondContact O-N 3.2Å; L634-Q637 PolarHBondContact O-N 2.94Å; L634-V638 WeakPolarHBondContact O-CG2 3.45Å; L634-V638 PolarHBondContact O-N 3.46Å
635K73Confident69.7Low99 Ų9981.3 Ų81.343%0.4343%0.427SS..Hα-helixtrans-59.8-44.7175.3179.9-177.2175.5-174.40111.7I631 I632 V638 I639I631-K635 WeakPolarHBondContact O-CB 3.31Å; I631-K635 PolarHBondContact O-N 2.89Å; I632-K635 PolarHBondContact O-N 2.74Å; K635-V638 PolarHBondContact O-N 3.12Å; K635-I639 HydrophobicContact CG-CD1 3.87Å; K635-I639 WeakPolarHBondContact O-CB 3.24Å; K635-I639 VanDerWaalsContact O-CG1 3.26Å; K635-I639 WeakPolarHBondContact O-CG1 3.37Å; K635-I639 PolarHBondContact O-N 3.29Å
636D70.7Confident70.6Confident64 Ų6475.8 Ų75.834%0.34240%0.402SS..Hα-helixtrans-69.5-35.2178.6-70.4-15.1000111.8I632 T633 L634 G640I632-D636 WeakPolarHBondContact O-CB 3.45Å; I632-D636 PolarHBondContact O-N 3.37Å; T633-D636 PolarHBondContact O-N 3.49Å; L634-D636 PolarHBondContact O-N 3.2Å; D636-G640 PolarHBondContact O-N 3.13Å
637Q75.4Confident71.3Confident122 Ų12272.7 Ų72.757%0.5739%0.393SS*.Hα-helixtrans-63.3-43.8170.2-75.9173.78.600112.1T633 L634 G640 A641T633-Q637 WeakPolarHBondContact O-CB 3.43Å; T633-Q637 VanDerWaalsContact O-CG 3.25Å; T633-Q637 WeakPolarHBondContact O-CG 3.39Å; T633-Q637 PolarHBondContact O-N 3.45Å; L634-Q637 PolarHBondContact O-N 2.94Å; Q637-G640 PolarHBondContact O-N 3.45Å; Q637-A641 WeakPolarHBondContact O-CB 3.48Å; Q637-A641 PolarHBondContact O-N 2.85Å
638V73.4Confident72.1Confident71 Ų7173.2 Ų73.243%0.4339%0.394SS..Hα-helixtrans-65-44.3176.2169.20000111.2L634 K635 A641 L642L634-V638 WeakPolarHBondContact O-CG2 3.45Å; L634-V638 PolarHBondContact O-N 3.46Å; K635-V638 PolarHBondContact O-N 3.12Å; V638-A641 PolarHBondContact O-N 3.02Å; V638-L642 HydrophobicContact CG1-CD1 4.36Å; V638-L642 HydrophobicContact CG1-CD2 4.38Å; V638-L642 WeakPolarHBondContact O-CB 3.49Å; V638-L642 PolarHBondContact O-N 3.35Å
639I72.2Confident72.5Confident75 Ų7569.5 Ų69.539%0.38538%0.375SS..Hα-helixtrans-63.3-42.4175.6-70.6168.7000111K635 L642 T643K635-I639 HydrophobicContact CG-CD1 3.87Å; K635-I639 WeakPolarHBondContact O-CB 3.24Å; K635-I639 VanDerWaalsContact O-CG1 3.26Å; K635-I639 WeakPolarHBondContact O-CG1 3.37Å; K635-I639 PolarHBondContact O-N 3.29Å; I639-L642 PolarHBondContact O-N 3.01Å; I639-T643 VanDerWaalsContact O-CB 3.28Å; I639-T643 WeakPolarHBondContact O-CB 3.49Å; I639-T643 PolarHBondContact O-N 3.39Å; I639-T643 PolarHBondContact O-OG1 3.41Å
640G73.3Confident72.7Confident41 Ų4170.3 Ų70.342%0.42337%0.373SS..Hα-helixtrans-62.4-43.4175.700000112.4D636 Q637 T643 S644D636-G640 PolarHBondContact O-N 3.13Å; Q637-G640 PolarHBondContact O-N 3.45Å; G640-T643 PolarHBondContact O-N 3.23Å; G640-S644 WeakPolarHBondContact O-CB 3.4Å; G640-S644 PolarHBondContact O-N 3.21Å
641A73.5Confident73Confident27 Ų2770.4 Ų70.422%0.22337%0.374CS..Hα-helixtrans-62.2-52.2174.600000111.7Q637 V638 T643 S644 E645Q637-A641 WeakPolarHBondContact O-CB 3.48Å; Q637-A641 PolarHBondContact O-N 2.85Å; V638-A641 PolarHBondContact O-N 3.02Å; A641-T643 VanDerWaalsContact C-N 3.27Å; A641-T643 PolarHBondContact O-N 3.31Å; A641-S644 WeakPolarHBondContact O-CB 3.25Å; A641-S644 PolarHBondContact O-N 3.39Å; A641-S644 VanDerWaalsContact O-N 3.1Å; A641-E645 WeakPolarHBondContact O-CG 3.4Å; A641-E645 PolarHBondContact O-N 3.47Å
642L75Confident73Confident47 Ų4770.1 Ų70.125%0.24637%0.37CS..Hα-helixtrans-57.3-39.1176.4-95.3168.9000112.3V638 I639 L646V638-L642 HydrophobicContact CG1-CD1 4.36Å; V638-L642 HydrophobicContact CG1-CD2 4.38Å; V638-L642 WeakPolarHBondContact O-CB 3.49Å; V638-L642 PolarHBondContact O-N 3.35Å; I639-L642 PolarHBondContact O-N 3.01Å; L642-L646 WeakPolarHBondContact O-CB 3.27Å; L642-L646 WeakPolarHBondContact O-CG 3.47Å; L642-L646 PolarHBondContact O-N 3.43Å
643T74.9Confident72.7Confident81 Ų8168 Ų6850%0.49736%0.36SS..Hα-helixtrans-69.1-37.4177.4-56.70000111.7I639 G640 A641 A647I639-T643 VanDerWaalsContact O-CB 3.28Å; I639-T643 WeakPolarHBondContact O-CB 3.49Å; I639-T643 PolarHBondContact O-N 3.39Å; I639-T643 PolarHBondContact O-OG1 3.41Å; G640-T643 PolarHBondContact O-N 3.23Å; A641-T643 VanDerWaalsContact C-N 3.27Å; A641-T643 PolarHBondContact O-N 3.31Å; T643-A647 WeakPolarHBondContact O-CB 3.43Å; T643-A647 PolarHBondContact O-N 3.21Å
644S72.9Confident72.8Confident59 Ų5968 Ų6841%0.41336%0.362SS..Hα-helixtrans-65.6-46.7173.6-171.30000111.8G640 A641 L646 A647 K648G640-S644 WeakPolarHBondContact O-CB 3.4Å; G640-S644 PolarHBondContact O-N 3.21Å; A641-S644 WeakPolarHBondContact O-CB 3.25Å; A641-S644 PolarHBondContact O-N 3.39Å; A641-S644 VanDerWaalsContact O-N 3.1Å; S644-L646 PolarHBondContact O-N 3.29Å; S644-A647 WeakPolarHBondContact O-CB 3.26Å; S644-A647 PolarHBondContact O-N 2.9Å; S644-A647 VanDerWaalsContact O-N 3.13Å; S644-K648 WeakPolarHBondContact O-CG 3.25Å; S644-K648 PolarHBondContact O-N 3Å
645E74.1Confident72.4Confident41 Ų4166.8 Ų66.819%0.19236%0.356CS..Hα-helixtrans-65.1-38.8176-57-47.2146.700112A641 A647 K648 L649 R767A641-E645 WeakPolarHBondContact O-CG 3.4Å; A641-E645 PolarHBondContact O-N 3.47Å; E645-A647 VanDerWaalsContact C-N 3.29Å; E645-A647 PolarHBondContact O-N 3.43Å; E645-K648 PolarHBondContact O-N 3.5Å; E645-K648 IonicContact OE1-NZ 2.9Å; E645-K648 PolarHBondContact OE1-NZ 3.13Å; E645-K648 WeakPolarHBondContact OE2-CD 3.49Å; E645-K648 WeakPolarHBondContact OE2-CE 3.32Å; E645-K648 IonicContact OE2-NZ 3.96Å; E645-K648 PolarHBondContact OE2-NZ 3.3Å; E645-L649 WeakPolarHBondContact O-CB 3.49Å; E645-L649 WeakPolarHBondContact O-CG 3.36Å; E645-L649 PolarHBondContact O-N 3.41Å; E645-R767 IonicContact OE1-NH1 3.99Å
646L70.7Confident72.1Confident21 Ų2164.3 Ų64.311%0.1135%0.347CS..Hα-helixtrans-60.3-36.8170.7-82.9171.5000112.7L642 S644 R650 L677 L680L642-L646 WeakPolarHBondContact O-CB 3.27Å; L642-L646 WeakPolarHBondContact O-CG 3.47Å; L642-L646 PolarHBondContact O-N 3.43Å; S644-L646 PolarHBondContact O-N 3.29Å; L646-R650 WeakPolarHBondContact O-CB 3.37Å; L646-R650 VanDerWaalsContact O-CG 3.29Å; L646-R650 WeakPolarHBondContact O-CG 3.44Å; L646-R650 PolarHBondContact O-N 2.89Å; L646-L677 HydrophobicContact CD2-CD1 3.93Å; L646-L680 HydrophobicContact CD2-CD2 3.89Å; L646-L680 HydrophobicContact CG-CD2 4.08Å
647A72.6Confident71.6Confident34 Ų3463.9 Ų63.928%0.28135%0.353SS..Hα-helixtrans-69.6-41175.400000111.8F219 T643 S644 E645 K651F219-A647 HydrophobicContact CE1-CB 4.43Å; F219-A647 HydrophobicContact CZ-CB 4.13Å; T643-A647 WeakPolarHBondContact O-CB 3.43Å; T643-A647 PolarHBondContact O-N 3.21Å; S644-A647 WeakPolarHBondContact O-CB 3.26Å; S644-A647 PolarHBondContact O-N 2.9Å; S644-A647 VanDerWaalsContact O-N 3.13Å; E645-A647 VanDerWaalsContact C-N 3.29Å; E645-A647 PolarHBondContact O-N 3.43Å; A647-K651 WeakPolarHBondContact O-CB 3.24Å; A647-K651 PolarHBondContact O-N 3.44Å
648K76.2Confident70.9Confident107 Ų10762.8 Ų62.847%0.46535%0.35SS..Hα-helixtrans-62.6-48.6173.3-66-178.4-152160.60112S644 E645 R650 K651 E652S644-K648 WeakPolarHBondContact O-CG 3.25Å; S644-K648 PolarHBondContact O-N 3Å; E645-K648 PolarHBondContact O-N 3.5Å; E645-K648 IonicContact OE1-NZ 2.9Å; E645-K648 PolarHBondContact OE1-NZ 3.13Å; E645-K648 WeakPolarHBondContact OE2-CD 3.49Å; E645-K648 WeakPolarHBondContact OE2-CE 3.32Å; E645-K648 IonicContact OE2-NZ 3.96Å; E645-K648 PolarHBondContact OE2-NZ 3.3Å; K648-R650 VanDerWaalsContact C-N 3.33Å; K648-R650 PolarHBondContact O-N 2.93Å; K648-K651 CarbonylContact O-C 3.54Å; K648-K651 WeakPolarHBondContact O-CA 3.21Å; K648-K651 WeakPolarHBondContact O-CB 3.36Å; K648-K651 PolarHBondContact O-N 2.92Å; K648-E652 PolarHBondContact O-N 2.9Å
649L72.5Confident70Confident26 Ų2662.4 Ų62.414%0.13635%0.354CS..Hα-helixtrans-60.9-41.1178.8-73.9170.2000111.9E645 K651 E652 L653 L673 L680E645-L649 WeakPolarHBondContact O-CB 3.49Å; E645-L649 WeakPolarHBondContact O-CG 3.36Å; E645-L649 PolarHBondContact O-N 3.41Å; L649-K651 VanDerWaalsContact C-N 3.33Å; L649-E652 PolarHBondContact O-N 3.08Å; L649-L653 WeakPolarHBondContact O-CB 3.37Å; L649-L653 WeakPolarHBondContact O-CG 3.23Å; L649-L653 PolarHBondContact O-N 2.8Å; L649-L673 HydrophobicContact CD2-CD2 4.18Å; L649-L680 HydrophobicContact CD1-CD2 3.85Å
650R71.9Confident69.1Low112 Ų11263 Ų6342%0.42336%0.355SS..Hα-helixtrans-63.7-37.5171.9-77.5175.4179147.93.6112.3L646 K648 S654L646-R650 WeakPolarHBondContact O-CB 3.37Å; L646-R650 VanDerWaalsContact O-CG 3.29Å; L646-R650 WeakPolarHBondContact O-CG 3.44Å; L646-R650 PolarHBondContact O-N 2.89Å; K648-R650 VanDerWaalsContact C-N 3.33Å; K648-R650 PolarHBondContact O-N 2.93Å; R650-S654 WeakPolarHBondContact O-CB 3.33Å; R650-S654 PolarHBondContact O-N 3.4Å
651K75.9Confident68Low132 Ų13266.9 Ų66.957%0.57436%0.362SS*.Hα-helixtrans-66.7-49.7174.6-167-168.6172.1-157.80111.4A647 K648 L649 L653 S654 D655A647-K651 WeakPolarHBondContact O-CB 3.24Å; A647-K651 PolarHBondContact O-N 3.44Å; K648-K651 CarbonylContact O-C 3.54Å; K648-K651 WeakPolarHBondContact O-CA 3.21Å; K648-K651 WeakPolarHBondContact O-CB 3.36Å; K648-K651 PolarHBondContact O-N 2.92Å; L649-K651 VanDerWaalsContact C-N 3.33Å; K651-L653 VanDerWaalsContact C-N 3.33Å; K651-L653 PolarHBondContact O-N 2.91Å; K651-S654 CarbonylContact O-C 3.53Å; K651-S654 WeakPolarHBondContact O-CA 3.36Å; K651-S654 WeakPolarHBondContact O-CB 3.29Å; K651-S654 PolarHBondContact O-N 3.45Å; K651-D655 VanDerWaalsContact CE-OD2 3.23Å; K651-D655 WeakPolarHBondContact CE-OD2 3.35Å; K651-D655 IonicContact NZ-OD2 2.6Å; K651-D655 PolarHBondContact O-N 3.39Å
652E71.2Confident66.7Low84 Ų8474.8 Ų74.839%0.39339%0.388SS..Hα-helixtrans-63.1-37.2178.8-76.9-158.4-148.900112.7K648 L649 S654 D655 L656 R669K648-E652 PolarHBondContact O-N 2.9Å; L649-E652 PolarHBondContact O-N 3.08Å; E652-S654 VanDerWaalsContact C-N 3.3Å; E652-S654 PolarHBondContact O-N 3.17Å; E652-D655 PolarHBondContact O-N 2.89Å; E652-L656 VanDerWaalsContact O-CB 3.25Å; E652-L656 WeakPolarHBondContact O-CB 3.39Å; E652-L656 VanDerWaalsContact O-CG 3.26Å; E652-L656 WeakPolarHBondContact O-CG 3.36Å; E652-L656 PolarHBondContact O-N 3.49Å; E652-R669 IonicContact OE2-NH2 3.4Å; E652-R669 PolarHBondContact OE2-NH2 3.16Å; E652-R669 VanDerWaalsContact OE2-NH2 3.17Å
653L64.6Low65.3Low23 Ų2375.6 Ų75.612%0.1241%0.407CS..Hα-helixtrans-65.9-31.9171.4-80.7165000112.6L649 K651 A657 Y670 L673 L677L649-L653 WeakPolarHBondContact O-CB 3.37Å; L649-L653 WeakPolarHBondContact O-CG 3.23Å; L649-L653 PolarHBondContact O-N 2.8Å; K651-L653 VanDerWaalsContact C-N 3.33Å; K651-L653 PolarHBondContact O-N 2.91Å; L653-A657 VanDerWaalsContact O-CB 3.25Å; L653-A657 WeakPolarHBondContact O-CB 3.42Å; L653-A657 PolarHBondContact O-N 2.76Å; L653-Y670 HydrophobicContact CD2-CD2 3.95Å; L653-Y670 HydrophobicContact CD2-CE2 3.98Å; L653-L673 HydrophobicContact CD2-CB 3.78Å; L653-L673 HydrophobicContact CG-CB 4.24Å; L653-L677 HydrophobicContact CD1-CB 4.11Å; L653-L677 HydrophobicContact CD1-CD2 3.75Å; L653-L677 HydrophobicContact CD1-CG 4.42Å
654S71.8Confident63.9Low59 Ų5979.6 Ų79.641%0.41342%0.42SS..Hα-helixtrans-73.4-45.7173.6-167.40000112R650 K651 E652 L656 A657 I658R650-S654 WeakPolarHBondContact O-CB 3.33Å; R650-S654 PolarHBondContact O-N 3.4Å; K651-S654 CarbonylContact O-C 3.53Å; K651-S654 WeakPolarHBondContact O-CA 3.36Å; K651-S654 WeakPolarHBondContact O-CB 3.29Å; K651-S654 PolarHBondContact O-N 3.45Å; E652-S654 VanDerWaalsContact C-N 3.3Å; E652-S654 PolarHBondContact O-N 3.17Å; S654-L656 VanDerWaalsContact C-N 3.25Å; S654-L656 PolarHBondContact O-N 2.95Å; S654-A657 PolarHBondContact O-N 3.48Å; S654-I658 WeakPolarHBondContact O-CD1 3.5Å; S654-I658 VanDerWaalsContact O-CG1 3.27Å; S654-I658 WeakPolarHBondContact O-CG1 3.45Å; S654-I658 PolarHBondContact O-N 3Å
655D64.8Low62.9Low77 Ų7784.9 Ų84.941%0.41244%0.438SS..Hα-helixtrans-63-34.8177.6-67.2-12.4000110.2K651 E652 A659K651-D655 VanDerWaalsContact CE-OD2 3.23Å; K651-D655 WeakPolarHBondContact CE-OD2 3.35Å; K651-D655 IonicContact NZ-OD2 2.6Å; K651-D655 PolarHBondContact O-N 3.39Å; E652-D655 PolarHBondContact O-N 2.89Å; D655-A659 PolarHBondContact O-N 3.48Å
656L65.9Low61.8Low47 Ų4785.8 Ų85.825%0.24645%0.448CS..Hα-helixtrans-73.5-37.7171.3-76.1168.2000113.6E652 S654 I658 A659 H660 L673E652-L656 VanDerWaalsContact O-CB 3.25Å; E652-L656 WeakPolarHBondContact O-CB 3.39Å; E652-L656 VanDerWaalsContact O-CG 3.26Å; E652-L656 WeakPolarHBondContact O-CG 3.36Å; E652-L656 PolarHBondContact O-N 3.49Å; S654-L656 VanDerWaalsContact C-N 3.25Å; S654-L656 PolarHBondContact O-N 2.95Å; L656-I658 VanDerWaalsContact C-N 3.26Å; L656-I658 PolarHBondContact O-N 2.95Å; L656-A659 PolarHBondContact O-N 3.01Å; L656-H660 WeakPolarHBondContact O-CB 3.45Å; L656-H660 PolarHBondContact O-N 3.46Å; L656-L673 HydrophobicContact CD1-CD1 3.45Å; L656-L673 VanDerWaalsContact CD1-CD1 3.45Å
657A61.9Low61.1Low55 Ų5589.1 Ų89.146%0.45547%0.471SS..Hα-helixtrans-66.7-29.1174.400000112.3L653 S654L653-A657 VanDerWaalsContact O-CB 3.25Å; L653-A657 WeakPolarHBondContact O-CB 3.42Å; L653-A657 PolarHBondContact O-N 2.76Å; S654-A657 PolarHBondContact O-N 3.48Å
658I59.1Low60.4Low99 Ų9990 Ų9051%0.50848%0.484SS..Hα-helixtrans-75-38.4171.4-66.2161.8000110.6S654 L656 H660 E661S654-I658 WeakPolarHBondContact O-CD1 3.5Å; S654-I658 VanDerWaalsContact O-CG1 3.27Å; S654-I658 WeakPolarHBondContact O-CG1 3.45Å; S654-I658 PolarHBondContact O-N 3Å; L656-I658 VanDerWaalsContact C-N 3.26Å; L656-I658 PolarHBondContact O-N 2.95Å; I658-H660 VanDerWaalsContact C-N 3.28Å; I658-H660 PolarHBondContact O-N 3.38Å; I658-E661 WeakPolarHBondContact O-CB 3.44Å; I658-E661 PolarHBondContact O-N 2.93Å; I658-E661 VanDerWaalsContact O-N 3.15Å
659A55.4Low59.7Low63 Ų6389.1 Ų89.152%0.52148%0.477SS..Hα-helixtrans-63.4-34172.100000112.7D655 L656 E661 Y662D655-A659 PolarHBondContact O-N 3.48Å; L656-A659 PolarHBondContact O-N 3.01Å; A659-E661 PolarHBondContact O-N 2.99Å; A659-Y662 PolarHBondContact O-N 3.45Å
660H52.1Low59.2Low88 Ų8891.2 Ų91.241%0.40748%0.484SS..G310 helixtrans-66.1-9.6174.9-168.6-50.4000113.2L656 I658 Y662 G663L656-H660 WeakPolarHBondContact O-CB 3.45Å; L656-H660 PolarHBondContact O-N 3.46Å; I658-H660 VanDerWaalsContact C-N 3.28Å; I658-H660 PolarHBondContact O-N 3.38Å; H660-Y662 PolarHBondContact O-N 3.49Å; H660-Y662 VanDerWaalsContact O-N 3.14Å; H660-G663 PolarHBondContact O-N 3.45Å
661E50.8Low58.8Low123 Ų12389.7 Ų89.758%0.57549%0.488SS*.G310 helixtrans-67.4-8.3172.7-157.7158.6-144.100112.7I658 A659I658-E661 WeakPolarHBondContact O-CB 3.44Å; I658-E661 PolarHBondContact O-N 2.93Å; I658-E661 VanDerWaalsContact O-N 3.15Å; A659-E661 PolarHBondContact O-N 2.99Å
662Y46.3Very low58.3Low193 Ų19390.8 Ų90.876%0.75749%0.488SS*.G310 helixtrans-104.932.3176-70.5-88.8000114.9A659 H660 E664A659-Y662 PolarHBondContact O-N 3.45Å; H660-Y662 PolarHBondContact O-N 3.49Å; H660-Y662 VanDerWaalsContact O-N 3.14Å; Y662-E664 PolarHBondContact O-N 3.34Å
663G46.5Very low58.2Low63 Ų6387.6 Ų87.665%0.64947%0.473SS*.  trans82.712.5148.300000119.5H660H660-G663 PolarHBondContact O-N 3.45Å
664E45.5Very low58.4Low165 Ų16591.2 Ų91.277%0.77149%0.488SS*.  trans-98.2153.7172.4-67.4-167.4156.900113.2Y662Y662-E664 PolarHBondContact O-N 3.34Å
665E50.4Low58.6Low171 Ų17194.5 Ų94.580%0.79950%0.497SS*.  trans-56.6155.8178.7-92.8-75.2118.600113.1C667E665-C667 VanDerWaalsContact C-N 3.3Å; E665-C667 PolarHBondContact O-N 3.43Å
666P52.2Low58.7Low60 Ų6094.6 Ų94.639%0.3950%0.495SS..  trans-64.682.6179.4-21.134.5000113.4G668P666-G668 PolarHBondContact O-N 3.18Å
667C54.7Low59.1Low90 Ų9094 Ų9461%0.60849%0.492SS*.  trans-45.6136.5175.71700000110.7E665 R669 Y670E665-C667 VanDerWaalsContact C-N 3.3Å; E665-C667 PolarHBondContact O-N 3.43Å; C667-R669 PolarHBondContact O-N 3.41Å; C667-Y670 WeakPolarHBondContact O-CB 3.36Å; C667-Y670 PolarHBondContact O-N 2.92Å
668G59.2Low59.6Low52 Ų5295.2 Ų95.254%0.53649%0.491SS..Hα-helixtrans-54.1-17.8-173.700000115P666 T671 R672P666-G668 PolarHBondContact O-N 3.18Å; G668-T671 PolarHBondContact O-N 3.36Å; G668-R672 WeakPolarHBondContact O-CB 3.38Å; G668-R672 PolarHBondContact O-N 3.24Å
669R60.3Low60.3Low89 Ų8994.8 Ų94.834%0.33649%0.489SS..Hα-helixtrans-56.2-43.1167.5-170.5170.7-174.1-109-19.2112.8E652 C667 L673E652-R669 IonicContact OE2-NH2 3.4Å; E652-R669 PolarHBondContact OE2-NH2 3.16Å; E652-R669 VanDerWaalsContact OE2-NH2 3.17Å; C667-R669 PolarHBondContact O-N 3.41Å; R669-L673 HydrophobicContact CG-CD1 4.04Å; R669-L673 WeakPolarHBondContact O-CB 3.49Å; R669-L673 WeakPolarHBondContact O-CG 3.31Å; R669-L673 PolarHBondContact O-N 2.91Å
670Y62.7Low61Low71 Ų7194 Ų9428%0.27848%0.476SS..Hα-helixtrans-64-49.3175.9177.3-93.6000111.2L653 C667 R672 L673 K674L653-Y670 HydrophobicContact CD2-CD2 3.95Å; L653-Y670 HydrophobicContact CD2-CE2 3.98Å; C667-Y670 WeakPolarHBondContact O-CB 3.36Å; C667-Y670 PolarHBondContact O-N 2.92Å; Y670-R672 VanDerWaalsContact C-N 3.32Å; Y670-R672 PolarHBondContact O-N 2.81Å; Y670-L673 PolarHBondContact O-N 3.39Å; Y670-K674 HydrophobicContact CE1-CD 3.99Å; Y670-K674 VanDerWaalsContact O-CB 3.31Å; Y670-K674 WeakPolarHBondContact O-CB 3.31Å; Y670-K674 PolarHBondContact O-N 3.01Å
671T64.1Low62Low80 Ų8092.8 Ų92.849%0.49147%0.473SS..Hα-helixtrans-59.3-42.7179-51.70000111.6G668 K674 Q675G668-T671 PolarHBondContact O-N 3.36Å; T671-K674 PolarHBondContact O-N 2.87Å; T671-Q675 WeakPolarHBondContact O-CB 3.38Å; T671-Q675 PolarHBondContact O-N 3.3Å
672R66Low63.1Low154 Ų15491.3 Ų91.358%0.58147%0.466SS*.Hα-helixtrans-64.8-46.8176.6-163.4176-163.2166.75.8112.3G668 Y670 K674 Q675 Q676G668-R672 WeakPolarHBondContact O-CB 3.38Å; G668-R672 PolarHBondContact O-N 3.24Å; Y670-R672 VanDerWaalsContact C-N 3.32Å; Y670-R672 PolarHBondContact O-N 2.81Å; R672-K674 PolarHBondContact O-N 2.93Å; R672-Q675 PolarHBondContact O-N 3.33Å; R672-Q676 WeakPolarHBondContact O-CB 3.31Å; R672-Q676 VanDerWaalsContact O-CG 3.31Å; R672-Q676 WeakPolarHBondContact O-CG 3.21Å; R672-Q676 PolarHBondContact O-N 3.18Å; R672-Q676 PolarHBondContact O-OE1 2.74Å
673L67.4Low64.4Low17 Ų1786.1 Ų86.19%0.08945%0.451CS..Hα-helixtrans-64.4-37.9177-78.5166.5000112.4L649 L653 L656 R669 Y670 Q676 L677L649-L673 HydrophobicContact CD2-CD2 4.18Å; L653-L673 HydrophobicContact CD2-CB 3.78Å; L653-L673 HydrophobicContact CG-CB 4.24Å; L656-L673 HydrophobicContact CD1-CD1 3.45Å; L656-L673 VanDerWaalsContact CD1-CD1 3.45Å; R669-L673 HydrophobicContact CG-CD1 4.04Å; R669-L673 WeakPolarHBondContact O-CB 3.49Å; R669-L673 WeakPolarHBondContact O-CG 3.31Å; R669-L673 PolarHBondContact O-N 2.91Å; Y670-L673 PolarHBondContact O-N 3.39Å; L673-Q676 PolarHBondContact O-N 2.99Å; L673-L677 WeakPolarHBondContact O-CB 3.36Å; L673-L677 PolarHBondContact O-N 3.38Å
674K70.2Confident65.2Low100 Ų10084.6 Ų84.644%0.43543%0.429SS..Hα-helixtrans-65.2-47.5175.4-176.1177.3176.2-177.10111.4Y670 T671 R672 Q676 L677 D678Y670-K674 HydrophobicContact CE1-CD 3.99Å; Y670-K674 VanDerWaalsContact O-CB 3.31Å; Y670-K674 WeakPolarHBondContact O-CB 3.31Å; Y670-K674 PolarHBondContact O-N 3.01Å; T671-K674 PolarHBondContact O-N 2.87Å; R672-K674 PolarHBondContact O-N 2.93Å; K674-Q676 VanDerWaalsContact C-N 3.3Å; K674-Q676 PolarHBondContact O-N 3.12Å; K674-L677 WeakPolarHBondContact O-CB 3.29Å; K674-L677 PolarHBondContact O-N 2.91Å; K674-L677 VanDerWaalsContact O-N 3.08Å; K674-D678 PolarHBondContact O-N 3.04Å
675Q74.4Confident66.1Low127 Ų12781 Ų8159%0.59341%0.413SS*.Hα-helixtrans-65.5-32.9176.9-164.8170.521.400112.3T671 R672 N679T671-Q675 WeakPolarHBondContact O-CB 3.38Å; T671-Q675 PolarHBondContact O-N 3.3Å; R672-Q675 PolarHBondContact O-N 3.33Å; Q675-N679 WeakPolarHBondContact O-CB 3.45Å; Q675-N679 VanDerWaalsContact O-CG 3.23Å; Q675-N679 PolarHBondContact O-N 3.46Å; Q675-N679 PolarHBondContact O-ND2 2.98Å
676Q67.9Low67Low79 Ų7977.1 Ų77.137%0.36939%0.393SS..Hα-helixtrans-65.1-41.8169.1-75.3174.6-57.100112.3R672 L673 K674 N679 L680R672-Q676 WeakPolarHBondContact O-CB 3.31Å; R672-Q676 VanDerWaalsContact O-CG 3.31Å; R672-Q676 WeakPolarHBondContact O-CG 3.21Å; R672-Q676 PolarHBondContact O-N 3.18Å; R672-Q676 PolarHBondContact O-OE1 2.74Å; L673-Q676 PolarHBondContact O-N 2.99Å; K674-Q676 VanDerWaalsContact C-N 3.3Å; K674-Q676 PolarHBondContact O-N 3.12Å; Q676-N679 PolarHBondContact O-N 3.41Å; Q676-L680 WeakPolarHBondContact O-CB 3.4Å; Q676-L680 PolarHBondContact O-N 3.14Å
677L73.3Confident67.4Low34 Ų3477.5 Ų77.518%0.17840%0.395CS..Hα-helixtrans-62.4-43.8175.3-177.970.1000111.5L646 L653 L673 K674 L680 N681L646-L677 HydrophobicContact CD2-CD1 3.93Å; L653-L677 HydrophobicContact CD1-CB 4.11Å; L653-L677 HydrophobicContact CD1-CD2 3.75Å; L653-L677 HydrophobicContact CD1-CG 4.42Å; L673-L677 WeakPolarHBondContact O-CB 3.36Å; L673-L677 PolarHBondContact O-N 3.38Å; K674-L677 WeakPolarHBondContact O-CB 3.29Å; K674-L677 PolarHBondContact O-N 2.91Å; K674-L677 VanDerWaalsContact O-N 3.08Å; L677-L680 PolarHBondContact O-N 3.48Å; L677-N681 WeakPolarHBondContact O-CB 3.41Å; L677-N681 PolarHBondContact O-N 2.78Å
678D73.6Confident67.6Low82 Ų8282.1 Ų82.144%0.43940%0.399SS..Hα-helixtrans-65.4-44.3178.9-70.9-36.2000111.4K674 L680 N681 E682K674-D678 PolarHBondContact O-N 3.04Å; D678-L680 PolarHBondContact O-N 3.47Å; D678-N681 PolarHBondContact O-N 2.97Å; D678-E682 WeakPolarHBondContact O-CB 3.4Å; D678-E682 PolarHBondContact O-N 2.84Å
679N74.4Confident67.5Low89 Ų8986.1 Ų86.148%0.47640%0.402SS..Hα-helixtrans-59.6-45.3172.6-73.9-14.7000112.3Q675 Q676 N681 E682 I683Q675-N679 WeakPolarHBondContact O-CB 3.45Å; Q675-N679 VanDerWaalsContact O-CG 3.23Å; Q675-N679 PolarHBondContact O-N 3.46Å; Q675-N679 PolarHBondContact O-ND2 2.98Å; Q676-N679 PolarHBondContact O-N 3.41Å; N679-N681 VanDerWaalsContact C-N 3.34Å; N679-N681 PolarHBondContact O-N 3.42Å; N679-E682 PolarHBondContact O-N 3.5Å; N679-I683 WeakPolarHBondContact O-CG1 3.27Å; N679-I683 PolarHBondContact O-N 2.99Å
680L69.5Low66.9Low47 Ų4790.4 Ų90.425%0.24642%0.419CS..Hα-helixtrans-68.8-34.6-179.5-148.378.6000112L646 L649 Q676 L677 D678 C684L646-L680 HydrophobicContact CD2-CD2 3.89Å; L646-L680 HydrophobicContact CG-CD2 4.08Å; L649-L680 HydrophobicContact CD1-CD2 3.85Å; Q676-L680 WeakPolarHBondContact O-CB 3.4Å; Q676-L680 PolarHBondContact O-N 3.14Å; L677-L680 PolarHBondContact O-N 3.48Å; D678-L680 PolarHBondContact O-N 3.47Å; L680-C684 WeakPolarHBondContact O-CB 3.35Å; L680-C684 PolarHBondContact O-N 3.38Å; L680-C684 PolarHBondContact O-SG 3.4Å
681N72.7Confident66Low63 Ų6389.8 Ų89.834%0.33742%0.423SS..Hα-helixtrans-66.2-41.1172.7-175.813.6000111.1L677 D678 N679 C684 Q685L677-N681 WeakPolarHBondContact O-CB 3.41Å; L677-N681 PolarHBondContact O-N 2.78Å; D678-N681 PolarHBondContact O-N 2.97Å; N679-N681 VanDerWaalsContact C-N 3.34Å; N679-N681 PolarHBondContact O-N 3.42Å; N681-C684 PolarHBondContact O-N 3.14Å; N681-Q685 WeakPolarHBondContact O-CB 3.2Å; N681-Q685 VanDerWaalsContact O-CG 3.3Å; N681-Q685 WeakPolarHBondContact O-CG 3.32Å; N681-Q685 PolarHBondContact O-N 2.92Å; N681-Q685 PolarHBondContact OD1-NE2 3.15Å
682E73.9Confident64.9Low92 Ų9290.3 Ų90.343%0.4343%0.426SS..Hα-helixtrans-65.3-42.1175-155-143.618000111.9D678 N679 Q685 K686D678-E682 WeakPolarHBondContact O-CB 3.4Å; D678-E682 PolarHBondContact O-N 2.84Å; N679-E682 PolarHBondContact O-N 3.5Å; E682-Q685 PolarHBondContact O-N 3.46Å; E682-K686 WeakPolarHBondContact O-CB 3.33Å; E682-K686 WeakPolarHBondContact O-CG 3.31Å; E682-K686 PolarHBondContact O-N 3.41Å; E682-K686 WeakPolarHBondContact OE1-CE 3.27Å; E682-K686 IonicContact OE1-NZ 3.31Å; E682-K686 PolarHBondContact OE1-NZ 3.28Å; E682-K686 WeakPolarHBondContact OE2-CE 3.48Å; E682-K686 IonicContact OE2-NZ 2.75Å; E682-K686 PolarHBondContact OE2-NZ 3.04Å
683I72.7Confident63.6Low84 Ų8488.4 Ų88.443%0.43143%0.432SS..Hα-helixtrans-58.5-51.2171.7-70.1162.6000110.2N679 Q685 K686 T687N679-I683 WeakPolarHBondContact O-CG1 3.27Å; N679-I683 PolarHBondContact O-N 2.99Å; I683-Q685 VanDerWaalsContact C-N 3.25Å; I683-Q685 PolarHBondContact O-N 3.29Å; I683-K686 WeakPolarHBondContact O-CB 3.43Å; I683-K686 PolarHBondContact O-N 2.9Å; I683-K686 VanDerWaalsContact O-N 3.07Å; I683-T687 PolarHBondContact O-N 2.75Å; I683-T687 PolarHBondContact O-OG1 2.97Å; I683-T687 VanDerWaalsContact O-OG1 3.08Å
684C64.3Low62.2Low30 Ų3092.5 Ų92.520%0.20346%0.462CS..Hα-helixtrans-60.8-33.5178.3-69.90000112.8L680 N681 R688L680-C684 WeakPolarHBondContact O-CB 3.35Å; L680-C684 PolarHBondContact O-N 3.38Å; L680-C684 PolarHBondContact O-SG 3.4Å; N681-C684 PolarHBondContact O-N 3.14Å; C684-R688 VanDerWaalsContact O-CB 3.22Å; C684-R688 WeakPolarHBondContact O-CB 3.04Å; C684-R688 PolarHBondContact O-N 2.93Å
685Q64.7Low60.6Low90 Ų9091.5 Ų91.542%0.42147%0.472SS..Hα-helixtrans-71.9-39173.2-75.1177.754.500112.6N681 E682 I683 R688 K689N681-Q685 WeakPolarHBondContact O-CB 3.2Å; N681-Q685 VanDerWaalsContact O-CG 3.3Å; N681-Q685 WeakPolarHBondContact O-CG 3.32Å; N681-Q685 PolarHBondContact O-N 2.92Å; N681-Q685 PolarHBondContact OD1-NE2 3.15Å; E682-Q685 PolarHBondContact O-N 3.46Å; I683-Q685 VanDerWaalsContact C-N 3.25Å; I683-Q685 PolarHBondContact O-N 3.29Å; Q685-R688 PolarHBondContact O-N 3.19Å; Q685-K689 VanDerWaalsContact O-CG 3.29Å; Q685-K689 WeakPolarHBondContact O-CG 3.44Å; Q685-K689 PolarHBondContact O-N 3.32Å
686K69.3Low58.5Low90 Ų9089.2 Ų89.239%0.39147%0.47SS..Hα-helixtrans-60.1-54.4172.2-75.4165.3175.4168.60110.1E682 I683 R688 K689 Y690E682-K686 WeakPolarHBondContact O-CB 3.33Å; E682-K686 WeakPolarHBondContact O-CG 3.31Å; E682-K686 PolarHBondContact O-N 3.41Å; E682-K686 WeakPolarHBondContact OE1-CE 3.27Å; E682-K686 IonicContact OE1-NZ 3.31Å; E682-K686 PolarHBondContact OE1-NZ 3.28Å; E682-K686 WeakPolarHBondContact OE2-CE 3.48Å; E682-K686 IonicContact OE2-NZ 2.75Å; E682-K686 PolarHBondContact OE2-NZ 3.04Å; I683-K686 WeakPolarHBondContact O-CB 3.43Å; I683-K686 PolarHBondContact O-N 2.9Å; I683-K686 VanDerWaalsContact O-N 3.07Å; K686-R688 VanDerWaalsContact C-N 3.29Å; K686-R688 PolarHBondContact O-N 3.24Å; K686-K689 PolarHBondContact O-N 2.89Å; K686-K689 VanDerWaalsContact O-N 3.08Å; K686-Y690 HydrophobicContact CB-CE2 4.19Å; K686-Y690 WeakPolarHBondContact O-CD2 3.32Å; K686-Y690 PolarHBondContact O-N 2.94Å
687T61.2Low57.1Low68 Ų6891.7 Ų91.742%0.41749%0.493SS..Hα-helixtrans-56.2-40.3175.6-49.80000112.3I683 T691I683-T687 PolarHBondContact O-N 2.75Å; I683-T687 PolarHBondContact O-OG1 2.97Å; I683-T687 VanDerWaalsContact O-OG1 3.08Å; T687-T691 WeakPolarHBondContact O-CB 3.35Å; T687-T691 WeakPolarHBondContact O-CG2 3.34Å; T687-T691 PolarHBondContact O-N 2.81Å; T687-T691 PolarHBondContact O-OG1 3.5Å
688R58.5Low55.3Low186 Ų18695.7 Ų95.770%0.70252%0.519SS*.Hα-helixtrans-66.6-39.3176.3-173.4174.3-66.9-150.7-3.2112.7C684 Q685 K686 T691 T692C684-R688 VanDerWaalsContact O-CB 3.22Å; C684-R688 WeakPolarHBondContact O-CB 3.04Å; C684-R688 PolarHBondContact O-N 2.93Å; Q685-R688 PolarHBondContact O-N 3.19Å; K686-R688 VanDerWaalsContact C-N 3.29Å; K686-R688 PolarHBondContact O-N 3.24Å; R688-T691 WeakPolarHBondContact CA-OG1 3.44Å; R688-T691 PolarHBondContact O-OG1 3.47Å; R688-T692 WeakPolarHBondContact O-CB 3.41Å; R688-T692 PolarHBondContact O-N 3.41Å; R688-T692 PolarHBondContact O-OG1 3.17Å
689K56.1Low53.4Low136 Ų13695.6 Ų95.659%0.59153%0.529SS*.Hα-helixtrans-62.6-53.6175.8-74.4169.5-176.6178.10110.4Q685 K686 T691 T692 T693Q685-K689 VanDerWaalsContact O-CG 3.29Å; Q685-K689 WeakPolarHBondContact O-CG 3.44Å; Q685-K689 PolarHBondContact O-N 3.32Å; K686-K689 PolarHBondContact O-N 2.89Å; K686-K689 VanDerWaalsContact O-N 3.08Å; K689-T691 VanDerWaalsContact C-N 3.27Å; K689-T691 PolarHBondContact O-N 3.43Å; K689-T692 PolarHBondContact O-N 2.89Å; K689-T692 VanDerWaalsContact O-N 3.09Å; K689-T693 PolarHBondContact O-N 2.9Å; K689-T693 PolarHBondContact O-OG1 3.45Å; K689-T693 VanDerWaalsContact O-OG1 3.07Å
690Y47.2Very low51.7Low179 Ų17997.9 Ų97.970%0.70255%0.547SS*.Hα-helixtrans-61-32.4179.5-62.8-59.9000113.6K686K686-Y690 HydrophobicContact CB-CE2 4.19Å; K686-Y690 WeakPolarHBondContact O-CD2 3.32Å; K686-Y690 PolarHBondContact O-N 2.94Å
691T45.1Very low50.1Low59 Ų59100.1 Ų100.136%0.36257%0.571SS.*Hα-helixtrans-83.9-6.2177.5520000115.3T687 R688 K689T687-T691 WeakPolarHBondContact O-CB 3.35Å; T687-T691 WeakPolarHBondContact O-CG2 3.34Å; T687-T691 PolarHBondContact O-N 2.81Å; T687-T691 PolarHBondContact O-OG1 3.5Å; R688-T691 WeakPolarHBondContact CA-OG1 3.44Å; R688-T691 PolarHBondContact O-OG1 3.47Å; K689-T691 VanDerWaalsContact C-N 3.27Å; K689-T691 PolarHBondContact O-N 3.43Å
692T39.8Very low48.4Very low90 Ų90102.7 Ų102.755%0.55260%0.595SS**Hα-helixtrans-99.6-32.8176.5-50.30000112.1R688 K689 S694R688-T692 WeakPolarHBondContact O-CB 3.41Å; R688-T692 PolarHBondContact O-N 3.41Å; R688-T692 PolarHBondContact O-OG1 3.17Å; K689-T692 PolarHBondContact O-N 2.89Å; K689-T692 VanDerWaalsContact O-N 3.09Å; T692-S694 VanDerWaalsContact C-N 3.29Å; T692-S694 PolarHBondContact O-N 2.97Å
693T40.5Very low46.7Very low114 Ų114104.4 Ų104.470%0.69961%0.614SS**THydrogen-bonded Turntrans-71.2-18.4-175-470000114.2K689K689-T693 PolarHBondContact O-N 2.9Å; K689-T693 PolarHBondContact O-OG1 3.45Å; K689-T693 VanDerWaalsContact O-OG1 3.07Å
694S37.9Very low45Very low104 Ų104105.2 Ų105.273%0.72763%0.633SS**THydrogen-bonded Turntrans-89.67.5-177.952.70000115.2T692T692-S694 VanDerWaalsContact C-N 3.29Å; T692-S694 PolarHBondContact O-N 2.97Å
695A35Very low43.7Very low78 Ų78108.2 Ų108.265%0.64566%0.66SS**SBendtrans-122.416.7-167.300000115.5
696S30.3Very low42.4Very low79 Ų79113 Ų11355%0.55268%0.682SS**  trans-136.896.9-174.558.80000114.2T698S696-T698 PolarHBondContact O-N 3.11Å; S696-T698 VanDerWaalsContact O-N 3.17Å
697P38.4Very low41.1Very low132 Ų132115.9 Ų115.986%0.85771%0.707SS**  trans-76.994.3163.731.1-31.4000109.5A699P697-A699 PolarHBondContact O-N 3.27Å
698T35.9Very low40.2Very low118 Ų118116.8 Ų116.872%0.72472%0.721SS**PPolyproline II helixtrans-67.8123.5178-46.90000110.2S696 V700S696-T698 PolarHBondContact O-N 3.11Å; S696-T698 VanDerWaalsContact O-N 3.17Å; T698-V700 PolarHBondContact O-N 2.92Å
699A33.5Very low39.9Very low79 Ų79113.6 Ų113.665%0.65373%0.725SS**PPolyproline II helixtrans-66.8121.2-179.800000111.3P697P697-A699 PolarHBondContact O-N 3.27Å
700V38.2Very low39.7Very low138 Ų138112.8 Ų112.884%0.83673%0.733SS**PPolyproline II helixtrans-93.9123.5174.8-173.50000108.9T698T698-V700 PolarHBondContact O-N 2.92Å
701A38Very low39.6Very low93 Ų93108.5 Ų108.577%0.76974%0.735SS**PPolyproline II helixtrans-96.8125.9173.500000110.1
702S35.1Very low39.8Very low118 Ų118111.3 Ų111.383%0.82576%0.755SS**PPolyproline II helixtrans-73.8133.9-179.5-54.40000112.2
703P38.2Very low40.1Very low127 Ų127112.7 Ų112.783%0.82577%0.768SS**PPolyproline II helixtrans-90.4156.7174.235.9-34.4000112.7
704A37.8Very low40.3Very low101 Ų101113.3 Ų113.384%0.83577%0.774SS**  trans-152.2161.517000000111.4
705A38Very low40.4Very low94 Ų94113.3 Ų113.378%0.77778%0.78SS**  trans66.878.2171.600000118.6
706Q35.5Very low40.7Very low190 Ų190114.1 Ų114.189%0.88879%0.787SS**  22.7129.3124.4-57172.50.600120.3
707V43.6Very low41Very low151 Ų151119 Ų11992%0.91580%0.801SS**  -176163.4113.2149.50000109.2
708A41.6Very low41.2Very low86 Ų86119.9 Ų119.971%0.71180%0.803SS**  trans-91.3162.7-156.800000117.4
709P51.6Low41.3Very low120 Ų120118 Ų11878%0.77980%0.799SS**  trans-97.1-158.2179.345.1-36.7000110.4
710P52Low41.6Very low118 Ų118120.5 Ų120.577%0.76681%0.807SS**  cis-151.1-174.329.741.3-16.6000120.7
711A45.6Very low41.7Very low90 Ų90119.8 Ų119.874%0.74481%0.805SS**  trans94.2161.1142.100000119.5
712P49.8Very low41.4Very low118 Ų118120.9 Ų120.977%0.76681%0.807SS**  -142.2-176.7-120.539.9-17.9000116.9
713S45.5Very low41Very low118 Ų118121.5 Ų121.583%0.82581%0.81SS**  trans179.6161.6135.2-820000114.4
714P45.2Very low40.8Very low127 Ų127118.9 Ų118.983%0.82580%0.799SS**  trans-132.5159.9-162.941.5-24.8000118.5
715A40Very low40.4Very low104 Ų104123 Ų12386%0.8680%0.801SS**  trans-169149.4161.600000109.6
716A40.8Very low40.3Very low96 Ų96124.7 Ų124.779%0.79379%0.793SS**  cis-153.6171.4-12.100000111.4
717H36.6Very low40.1Very low182 Ų182123.7 Ų123.784%0.84379%0.792SS**  trans-63.1153.7-168-52.4-99.7000118.6
718V43.4Very low40.2Very low150 Ų150120.6 Ų120.691%0.90978%0.776SS**  -149.9149.7112.4174.80000108.4
719A37.7Very low40.4Very low78 Ų78122.4 Ų122.465%0.64577%0.767SS**  trans-116.5158.1-177.300000112.9
720T38.3Very low39.8Very low132 Ų132123.1 Ų123.181%0.8176%0.764SS**  169.1173.187.443.60000109.2
721P40.5Very low39.4Very low122 Ų122122.5 Ų122.579%0.79275%0.754SS**  -130.6155.5-53.638.4-23.2000115.7
722S32.3Very low39.8Very low117 Ų117122.8 Ų122.882%0.81875%0.747SS**  trans-18.1135.1164.8-179.90000122.3
723C27.2Very low39.7Very low131 Ų131122.3 Ų122.389%0.88574%0.737SS**  -174.6155.2129.1-163.40000111.7
724A33.6Very low40.2Very low71 Ų71120 Ų12059%0.58772%0.718SS**  -152.8147.6-70.900000110.4
725Q30.1Very low40.4Very low189 Ų189119.1 Ų119.188%0.88370%0.702SS**  trans36.8105.4156.5-63.8175.2-41.200121.2
726E34.4Very low40.6Very low129 Ų129123.8 Ų123.860%0.60370%0.698SS**  trans-155.975150.2-101.5-61.4152.800110.8K729E726-K729 IonicContact OE1-NZ 2.79Å; E726-K729 PolarHBondContact OE1-NZ 3.33Å; E726-K729 WeakPolarHBondContact OE2-CD 3.43Å; E726-K729 WeakPolarHBondContact OE2-CE 3.49Å; E726-K729 IonicContact OE2-NZ 3.17Å; E726-K729 PolarHBondContact OE2-NZ 3.35Å
727L31.7Very low40.6Very low168 Ų168126.5 Ų126.588%0.8870%0.698SS**  trans-142.897.1166.4-94.8104.5000108.5
728P46.6Very low41Very low87 Ų87124.1 Ų124.157%0.56569%0.688SS**SBend-143.37.3116.439.1-27.2000114.4L730P728-L730 PolarHBondContact O-N 2.92Å
729K45.9Very low40.7Very low124 Ų124124.2 Ų124.254%0.53968%0.682SS.*Hα-helixtrans-75.1-18.9-168.1-68.8172.3-173.3150.30115.1E726 L733E726-K729 IonicContact OE1-NZ 2.79Å; E726-K729 PolarHBondContact OE1-NZ 3.33Å; E726-K729 WeakPolarHBondContact OE2-CD 3.43Å; E726-K729 WeakPolarHBondContact OE2-CE 3.49Å; E726-K729 IonicContact OE2-NZ 3.17Å; E726-K729 PolarHBondContact OE2-NZ 3.35Å; K729-L733 PolarHBondContact O-N 3.16Å
730L38.5Very low40.5Very low135 Ų135125.5 Ų125.571%0.70768%0.678SS**Hα-helixtrans-76.8-43.2-175.3-147.376.2000112.4P728 V732 L733 V734P728-L730 PolarHBondContact O-N 2.92Å; L730-V732 VanDerWaalsContact C-N 3.3Å; L730-V732 PolarHBondContact O-N 3.34Å; L730-L733 PolarHBondContact O-N 2.83Å; L730-L733 VanDerWaalsContact O-N 3.15Å; L730-V734 PolarHBondContact O-N 2.79Å; L730-V734 VanDerWaalsContact O-N 3.09Å
731D43.4Very low40.5Very low105 Ų105128.9 Ų128.956%0.56169%0.685SS**Hα-helixtrans-62.5-37.8176.8-65.3-60.5000111.8L733 V734 Q735D731-L733 VanDerWaalsContact C-N 3.28Å; D731-L733 PolarHBondContact O-N 2.9Å; D731-V734 PolarHBondContact O-N 3.41Å; D731-V734 VanDerWaalsContact O-N 3.14Å; D731-Q735 PolarHBondContact O-N 3.43Å
732V54.7Low40.5Very low96 Ų96125.7 Ų125.758%0.58267%0.674SS**Hα-helixtrans-58.9-39.6175.1178.70000111.5L730 R736L730-V732 VanDerWaalsContact C-N 3.3Å; L730-V732 PolarHBondContact O-N 3.34Å; V732-R736 VanDerWaalsContact O-CB 3.31Å; V732-R736 WeakPolarHBondContact O-CB 3.43Å; V732-R736 PolarHBondContact O-N 2.71Å
733L48.4Very low40.9Very low108 Ų108127.8 Ų127.857%0.56567%0.671SS**Hα-helixtrans-72.3-34.1176.5-71.2169.9000112.6K729 L730 D731 R736 L737K729-L733 PolarHBondContact O-N 3.16Å; L730-L733 PolarHBondContact O-N 2.83Å; L730-L733 VanDerWaalsContact O-N 3.15Å; D731-L733 VanDerWaalsContact C-N 3.28Å; D731-L733 PolarHBondContact O-N 2.9Å; L733-R736 PolarHBondContact O-N 2.8Å; L733-L737 PolarHBondContact O-N 2.81Å
734V54.9Low41.6Very low69 Ų69123 Ų12342%0.41864%0.643SS.*Hα-helixtrans-67.7-43.2173.8175.60000111.1L730 D731 L737 Q738L730-V734 PolarHBondContact O-N 2.79Å; L730-V734 VanDerWaalsContact O-N 3.09Å; D731-V734 PolarHBondContact O-N 3.41Å; D731-V734 VanDerWaalsContact O-N 3.14Å; V734-L737 PolarHBondContact O-N 2.6Å; V734-Q738 WeakPolarHBondContact O-CG 3.4Å
735Q48.6Very low42.1Very low108 Ų108124.4 Ų124.451%0.50565%0.645SS.*Hα-helixtrans-61.7-41.3171.5-104.979.689.900112D731 L737 Q738D731-Q735 PolarHBondContact O-N 3.43Å; Q735-L737 PolarHBondContact O-N 2.92Å; Q735-Q738 PolarHBondContact O-N 3.46Å; Q735-Q738 VanDerWaalsContact O-N 3.1Å
736R44.4Very low42.8Very low203 Ų203121.9 Ų121.977%0.76663%0.633SS**Hα-helixtrans-60.1-33.8179.4-162.474.8167.1-160.6-2.1112.5V732 L733 Q738V732-R736 VanDerWaalsContact O-CB 3.31Å; V732-R736 WeakPolarHBondContact O-CB 3.43Å; V732-R736 PolarHBondContact O-N 2.71Å; L733-R736 PolarHBondContact O-N 2.8Å; R736-Q738 VanDerWaalsContact C-N 3.3Å; R736-Q738 PolarHBondContact O-N 3.43Å
737L41.8Very low43.8Very low153 Ų153122.5 Ų122.580%0.80164%0.636SS**THydrogen-bonded Turntrans-78.3-7.8178.3-81.3164.5000114.5L733 V734 Q735L733-L737 PolarHBondContact O-N 2.81Å; V734-L737 PolarHBondContact O-N 2.6Å; Q735-L737 PolarHBondContact O-N 2.92Å
738Q43.8Very low45Very low132 Ų132118.5 Ų118.562%0.61762%0.619SS**THydrogen-bonded Turntrans-104.9-3.5-176.2-70.1173.4-23.700113.5V734 Q735 R736V734-Q738 WeakPolarHBondContact O-CG 3.4Å; Q735-Q738 PolarHBondContact O-N 3.46Å; Q735-Q738 VanDerWaalsContact O-N 3.1Å; R736-Q738 VanDerWaalsContact C-N 3.3Å; R736-Q738 PolarHBondContact O-N 3.43Å
739L37.8Very low45.5Very low152 Ų152118.1 Ų118.180%0.79661%0.612SS**SBendtrans-142.646.4-169.3-75.8172000114.5
740D33.9Very low46.6Very low105 Ų105116.3 Ų116.356%0.56161%0.608SS**  trans-154.1127.2151.3-172.632.7000111.4G744D740-G744 PolarHBondContact OD2-N 2.95Å
741Q37.5Very low48.2Very low202 Ų202113.3 Ų113.394%0.94460%0.595SS**  trans-11399.6173.1-76.3-168.425.400110.1
742G41.7Very low49.5Very low55 Ų55113 Ų11357%0.56759%0.593SS**SBendtrans142.4-39156.300000116.2
743Q39.9Very low50.4Low162 Ų162112.8 Ų112.876%0.75759%0.587SS**SBendtrans-110.7-40.9-169.2-67.2-170.4-15.600114.1T745 Q746Q743-T745 PolarHBondContact O-N 3.22Å; Q743-T745 VanDerWaalsContact O-N 3.15Å; Q743-Q746 PolarHBondContact O-N 3.35Å
744G42Very low51.7Low30 Ų30114 Ų11431%0.30959%0.59SS.*Hα-helixtrans-60.4-25.8-179.900000115D740 T748D740-G744 PolarHBondContact OD2-N 2.95Å; G744-T748 WeakPolarHBondContact O-CB 3.46Å; G744-T748 PolarHBondContact O-N 3.43Å; G744-T748 VanDerWaalsContact O-N 3.14Å; G744-T748 PolarHBondContact O-OG1 3.13Å
745T45Very low52.6Low100 Ų100115.1 Ų115.161%0.61359%0.591SS**Hα-helixtrans-69.4-34.8179.6460000113.5Q743 L749Q743-T745 PolarHBondContact O-N 3.22Å; Q743-T745 VanDerWaalsContact O-N 3.15Å; T745-L749 PolarHBondContact O-N 3.42Å
746Q45.1Very low53.3Low136 Ų136113.6 Ų113.664%0.63659%0.592SS**Hα-helixtrans-72.6-48.3179.8-175.716367.900111Q743 T748 L749 D750Q743-Q746 PolarHBondContact O-N 3.35Å; Q746-T748 VanDerWaalsContact C-N 3.26Å; Q746-T748 PolarHBondContact O-N 2.82Å; Q746-L749 WeakPolarHBondContact O-CA 3.42Å; Q746-L749 WeakPolarHBondContact O-CB 3.24Å; Q746-L749 PolarHBondContact O-N 2.86Å; Q746-D750 PolarHBondContact O-N 3.26Å
747Q53.5Low54.6Low143 Ų143107.5 Ų107.567%0.66858%0.578SS**Hα-helixtrans-57.8-40174.2-69.5-175.2-11.700112.1L749 D750 T751Q747-L749 VanDerWaalsContact C-N 3.32Å; Q747-L749 PolarHBondContact O-N 2.87Å; Q747-D750 PolarHBondContact O-N 3.22Å; Q747-T751 PolarHBondContact O-N 3Å; Q747-T751 PolarHBondContact O-OG1 3Å
748T56.9Low56.2Low84 Ų84103.5 Ų103.552%0.51556%0.56SS.*Hα-helixtrans-63.7-37.2175.5-55.80000112G744 Q746 L752G744-T748 WeakPolarHBondContact O-CB 3.46Å; G744-T748 PolarHBondContact O-N 3.43Å; G744-T748 VanDerWaalsContact O-N 3.14Å; G744-T748 PolarHBondContact O-OG1 3.13Å; Q746-T748 VanDerWaalsContact C-N 3.26Å; Q746-T748 PolarHBondContact O-N 2.82Å; T748-L752 HydrophobicContact CG2-CD1 4.16Å; T748-L752 WeakPolarHBondContact O-CB 3.21Å; T748-L752 WeakPolarHBondContact O-CD1 3.49Å; T748-L752 VanDerWaalsContact O-CG 3.29Å; T748-L752 WeakPolarHBondContact O-CG 3.38Å; T748-L752 PolarHBondContact O-N 3.11Å; T748-L752 VanDerWaalsContact O-N 3.08Å
749L58.7Low57.4Low79 Ų79104.3 Ų104.341%0.41456%0.558SS.*Hα-helixtrans-67.2-44.8175.4-166.978.8000111.3T745 Q746 Q747 L752 I753T745-L749 PolarHBondContact O-N 3.42Å; Q746-L749 WeakPolarHBondContact O-CA 3.42Å; Q746-L749 WeakPolarHBondContact O-CB 3.24Å; Q746-L749 PolarHBondContact O-N 2.86Å; Q747-L749 VanDerWaalsContact C-N 3.32Å; Q747-L749 PolarHBondContact O-N 2.87Å; L749-L752 PolarHBondContact O-N 2.86Å; L749-I753 HydrophobicContact CD2-CD1 4.37Å; L749-I753 HydrophobicContact CG-CD1 4.09Å; L749-I753 VanDerWaalsContact O-CG1 3.29Å; L749-I753 WeakPolarHBondContact O-CG1 3.35Å; L749-I753 PolarHBondContact O-N 3.43Å
750D68.9Low58.9Low86 Ų8699.8 Ų99.846%0.4654%0.543SS..Hα-helixtrans-65.5-42.3-179.4-63.6-34.2000111.3Q746 Q747 L752 I753 E754Q746-D750 PolarHBondContact O-N 3.26Å; Q747-D750 PolarHBondContact O-N 3.22Å; D750-L752 PolarHBondContact O-N 2.99Å; D750-I753 PolarHBondContact O-N 2.94Å; D750-E754 PolarHBondContact O-N 3.38Å
751T71.4Confident60.8Low72 Ų72100.1 Ų100.144%0.44254%0.541SS..Hα-helixtrans-61-42.1171.6-53.80000111.9Q747 I753 E754 E755Q747-T751 PolarHBondContact O-N 3Å; Q747-T751 PolarHBondContact O-OG1 3Å; T751-I753 VanDerWaalsContact C-N 3.3Å; T751-I753 PolarHBondContact O-N 3.3Å; T751-E754 PolarHBondContact O-N 3.3Å; T751-E755 WeakPolarHBondContact O-CB 3.44Å; T751-E755 WeakPolarHBondContact O-CG 3.33Å; T751-E755 PolarHBondContact O-N 3.27Å
752L71.1Confident62.4Low98 Ų9894 Ų9451%0.51351%0.514SS..Hα-helixtrans-66.2-30.5176-79.1167.4000112.9T748 L749 D750 S756T748-L752 HydrophobicContact CG2-CD1 4.16Å; T748-L752 WeakPolarHBondContact O-CB 3.21Å; T748-L752 WeakPolarHBondContact O-CD1 3.49Å; T748-L752 VanDerWaalsContact O-CG 3.29Å; T748-L752 WeakPolarHBondContact O-CG 3.38Å; T748-L752 PolarHBondContact O-N 3.11Å; T748-L752 VanDerWaalsContact O-N 3.08Å; L749-L752 PolarHBondContact O-N 2.86Å; D750-L752 PolarHBondContact O-N 2.99Å; L752-S756 WeakPolarHBondContact O-CB 3.49Å; L752-S756 PolarHBondContact O-N 3.2Å
753I74.2Confident63.6Low91 Ų9194.1 Ų94.147%0.46750%0.502SS..Hα-helixtrans-70.3-47.3172.8-70.9163000109.9L749 D750 T751 S756 T757L749-I753 HydrophobicContact CD2-CD1 4.37Å; L749-I753 HydrophobicContact CG-CD1 4.09Å; L749-I753 VanDerWaalsContact O-CG1 3.29Å; L749-I753 WeakPolarHBondContact O-CG1 3.35Å; L749-I753 PolarHBondContact O-N 3.43Å; D750-I753 PolarHBondContact O-N 2.94Å; T751-I753 VanDerWaalsContact C-N 3.3Å; T751-I753 PolarHBondContact O-N 3.3Å; I753-S756 CarbonylContact O-C 3.55Å; I753-S756 PolarHBondContact O-N 2.94Å; I753-S756 VanDerWaalsContact O-N 3.15Å; I753-T757 PolarHBondContact O-N 3.47Å; I753-T757 PolarHBondContact O-OG1 2.82Å
754E75.3Confident65.1Low135 Ų13589 Ų8963%0.63149%0.487SS*.Hα-helixtrans-62.3-48.2179.9-168.7167.7-14500111.4D750 T751 S756 T757 T758D750-E754 PolarHBondContact O-N 3.38Å; T751-E754 PolarHBondContact O-N 3.3Å; E754-S756 VanDerWaalsContact C-N 3.33Å; E754-S756 PolarHBondContact O-N 3.29Å; E754-T757 WeakPolarHBondContact CA-OG1 3.37Å; E754-T757 PolarHBondContact O-N 3.49Å; E754-T757 VanDerWaalsContact O-N 3.15Å; E754-T757 PolarHBondContact O-OG1 2.85Å; E754-T758 PolarHBondContact O-N 2.73Å; E754-T758 PolarHBondContact O-OG1 2.89Å; E754-T758 VanDerWaalsContact O-OG1 3.05Å
755E72.8Confident66.8Low91 Ų9191.6 Ų91.643%0.42549%0.49SS..Hα-helixtrans-55.5-46.1170.2-75.4-173.4-176.700111.5T751 T757 T758 Y759T751-E755 WeakPolarHBondContact O-CB 3.44Å; T751-E755 WeakPolarHBondContact O-CG 3.33Å; T751-E755 PolarHBondContact O-N 3.27Å; E755-T757 VanDerWaalsContact C-N 3.3Å; E755-T757 PolarHBondContact O-N 2.82Å; E755-T758 PolarHBondContact O-N 3.05Å; E755-Y759 HydrophobicContact CB-CD2 4.44Å; E755-Y759 HydrophobicContact CB-CE2 4.06Å; E755-Y759 WeakPolarHBondContact O-CD2 3.46Å; E755-Y759 PolarHBondContact O-N 3.45Å
756S64.6Low68.2Low76 Ų7691.8 Ų91.853%0.53149%0.487SS..Hα-helixtrans-64.8-31.7179-1730000113L752 I753 E754 A760L752-S756 WeakPolarHBondContact O-CB 3.49Å; L752-S756 PolarHBondContact O-N 3.2Å; I753-S756 CarbonylContact O-C 3.55Å; I753-S756 PolarHBondContact O-N 2.94Å; I753-S756 VanDerWaalsContact O-N 3.15Å; E754-S756 VanDerWaalsContact C-N 3.33Å; E754-S756 PolarHBondContact O-N 3.29Å; S756-A760 WeakPolarHBondContact O-CB 3.22Å; S756-A760 PolarHBondContact O-N 2.91Å; S756-A760 VanDerWaalsContact O-N 3.12Å
757T71.3Confident68.9Low76 Ų7690.2 Ų90.247%0.46648%0.475SS..Hα-helixtrans-72.5-41.1172.447.10000111.7I753 E754 E755 Y759 A760 E761I753-T757 PolarHBondContact O-N 3.47Å; I753-T757 PolarHBondContact O-OG1 2.82Å; E754-T757 WeakPolarHBondContact CA-OG1 3.37Å; E754-T757 PolarHBondContact O-N 3.49Å; E754-T757 VanDerWaalsContact O-N 3.15Å; E754-T757 PolarHBondContact O-OG1 2.85Å; E755-T757 VanDerWaalsContact C-N 3.3Å; E755-T757 PolarHBondContact O-N 2.82Å; T757-Y759 PolarHBondContact O-N 3.12Å; T757-A760 WeakPolarHBondContact O-CB 3.45Å; T757-A760 PolarHBondContact O-N 3.43Å; T757-A760 VanDerWaalsContact O-N 3.12Å; T757-E761 PolarHBondContact O-N 3.34Å
758T74.1Confident70Confident69 Ų6989.3 Ų89.342%0.42347%0.471SS..Hα-helixtrans-59.9-44.8174.1-52.50000111.6E754 E755 A760 E761 D762E754-T758 PolarHBondContact O-N 2.73Å; E754-T758 PolarHBondContact O-OG1 2.89Å; E754-T758 VanDerWaalsContact O-OG1 3.05Å; E755-T758 PolarHBondContact O-N 3.05Å; T758-A760 VanDerWaalsContact C-N 3.33Å; T758-A760 PolarHBondContact O-N 3.26Å; T758-E761 PolarHBondContact O-N 2.99Å; T758-D762 PolarHBondContact O-N 3Å
759Y70.2Confident70.8Confident149 Ų14991.4 Ų91.458%0.58447%0.473SS*.Hα-helixtrans-63.8-35.6174.5-67.1-52.9000112.7E755 T757 I763E755-Y759 HydrophobicContact CB-CD2 4.44Å; E755-Y759 HydrophobicContact CB-CE2 4.06Å; E755-Y759 WeakPolarHBondContact O-CD2 3.46Å; E755-Y759 PolarHBondContact O-N 3.45Å; T757-Y759 PolarHBondContact O-N 3.12Å; Y759-I763 WeakPolarHBondContact O-CB 3.39Å; Y759-I763 WeakPolarHBondContact O-CD1 3.49Å; Y759-I763 WeakPolarHBondContact O-CG1 3.4Å; Y759-I763 PolarHBondContact O-N 3.17Å
760A69.9Low70.9Confident57 Ų5791.5 Ų91.547%0.47147%0.473SS..Hα-helixtrans-66.9-41.9176.100000112S756 T757 T758 I763 A764S756-A760 WeakPolarHBondContact O-CB 3.22Å; S756-A760 PolarHBondContact O-N 2.91Å; S756-A760 VanDerWaalsContact O-N 3.12Å; T757-A760 WeakPolarHBondContact O-CB 3.45Å; T757-A760 PolarHBondContact O-N 3.43Å; T757-A760 VanDerWaalsContact O-N 3.12Å; T758-A760 VanDerWaalsContact C-N 3.33Å; T758-A760 PolarHBondContact O-N 3.26Å; A760-I763 PolarHBondContact O-N 3.38Å; A760-A764 PolarHBondContact O-N 3.25Å
761E73.3Confident71Confident111 Ų11192.2 Ų92.252%0.51948%0.477SS..Hα-helixtrans-62.3-45.5173.4-74-168.6-170.700112.6T757 T758 I763 A764 K765T757-E761 PolarHBondContact O-N 3.34Å; T758-E761 PolarHBondContact O-N 2.99Å; E761-I763 VanDerWaalsContact C-N 3.31Å; E761-I763 PolarHBondContact O-N 2.87Å; E761-A764 CarbonylContact O-C 3.56Å; E761-A764 WeakPolarHBondContact O-CA 3.43Å; E761-A764 WeakPolarHBondContact O-CB 3.49Å; E761-A764 PolarHBondContact O-N 2.87Å; E761-K765 VanDerWaalsContact O-CG 3.31Å; E761-K765 WeakPolarHBondContact O-CG 3.23Å; E761-K765 PolarHBondContact O-N 3.35Å; E761-K765 WeakPolarHBondContact OE2-CE 3.45Å; E761-K765 IonicContact OE2-NZ 3.39Å; E761-K765 PolarHBondContact OE2-NZ 3.35Å
762D69.9Low71.2Confident73 Ų7392.8 Ų92.839%0.3948%0.477SS..Hα-helixtrans-69.1-32.4-178.5-80.45000111.8T758 A764 K765 L766T758-D762 PolarHBondContact O-N 3Å; D762-A764 VanDerWaalsContact C-N 3.34Å; D762-K765 PolarHBondContact O-N 2.97Å; D762-K765 WeakPolarHBondContact OD1-CD 3.45Å; D762-K765 IonicContact OD1-NZ 2.68Å; D762-K765 PolarHBondContact OD1-NZ 3.36Å; D762-L766 WeakPolarHBondContact O-CB 3.47Å; D762-L766 VanDerWaalsContact O-CG 3.24Å; D762-L766 WeakPolarHBondContact O-CG 3.42Å; D762-L766 PolarHBondContact O-N 2.86Å
763I68Low71.1Confident59 Ų5993 Ų9330%0.30347%0.474SS..Hα-helixtrans-62-40.6166.3-72.6167.3000111Y759 A760 E761 L766 R767Y759-I763 WeakPolarHBondContact O-CB 3.39Å; Y759-I763 WeakPolarHBondContact O-CD1 3.49Å; Y759-I763 WeakPolarHBondContact O-CG1 3.4Å; Y759-I763 PolarHBondContact O-N 3.17Å; A760-I763 PolarHBondContact O-N 3.38Å; E761-I763 VanDerWaalsContact C-N 3.31Å; E761-I763 PolarHBondContact O-N 2.87Å; I763-L766 PolarHBondContact O-N 2.97Å; I763-R767 VanDerWaalsContact O-CG 3.29Å; I763-R767 WeakPolarHBondContact O-CG 3.36Å; I763-R767 PolarHBondContact O-N 3.01Å
764A70.9Confident70.8Confident54 Ų5495.9 Ų95.945%0.44648%0.479SS..Hα-helixtrans-65.7-44.7175.800000112.3A760 E761 D762 L766 R767 Q768A760-A764 PolarHBondContact O-N 3.25Å; E761-A764 CarbonylContact O-C 3.56Å; E761-A764 WeakPolarHBondContact O-CA 3.43Å; E761-A764 WeakPolarHBondContact O-CB 3.49Å; E761-A764 PolarHBondContact O-N 2.87Å; D762-A764 VanDerWaalsContact C-N 3.34Å; A764-L766 VanDerWaalsContact C-N 3.27Å; A764-L766 PolarHBondContact O-N 2.83Å; A764-R767 WeakPolarHBondContact O-CB 3.43Å; A764-R767 PolarHBondContact O-N 2.92Å; A764-R767 VanDerWaalsContact O-N 3.16Å; A764-Q768 PolarHBondContact O-N 3.28Å
765K77.8Confident70.7Confident84 Ų8495.4 Ų95.437%0.36548%0.48SS..Hα-helixtrans-60.7-34.2174.8-64.6162-155.5155.60111.9E761 D762 K769E761-K765 VanDerWaalsContact O-CG 3.31Å; E761-K765 WeakPolarHBondContact O-CG 3.23Å; E761-K765 PolarHBondContact O-N 3.35Å; E761-K765 WeakPolarHBondContact OE2-CE 3.45Å; E761-K765 IonicContact OE2-NZ 3.39Å; E761-K765 PolarHBondContact OE2-NZ 3.35Å; D762-K765 PolarHBondContact O-N 2.97Å; D762-K765 WeakPolarHBondContact OD1-CD 3.45Å; D762-K765 IonicContact OD1-NZ 2.68Å; D762-K765 PolarHBondContact OD1-NZ 3.36Å; K765-K769 WeakPolarHBondContact O-CD 3.42Å; K765-K769 WeakPolarHBondContact O-CG 3.48Å; K765-K769 PolarHBondContact O-N 3.47Å
766L74.3Confident70.8Confident105 Ų10595.6 Ų95.655%0.5548%0.484SS..Hα-helixtrans-75-36.9174.3-74.9169.4000112.9D762 I763 A764 L770D762-L766 WeakPolarHBondContact O-CB 3.47Å; D762-L766 VanDerWaalsContact O-CG 3.24Å; D762-L766 WeakPolarHBondContact O-CG 3.42Å; D762-L766 PolarHBondContact O-N 2.86Å; I763-L766 PolarHBondContact O-N 2.97Å; A764-L766 VanDerWaalsContact C-N 3.27Å; A764-L766 PolarHBondContact O-N 2.83Å; L766-L770 PolarHBondContact O-N 3.01Å; L766-L770 VanDerWaalsContact O-N 3.11Å
767R60.3Low71.1Confident103 Ų10393.2 Ų93.239%0.38947%0.465SS..Hα-helixtrans-62.8-50.5173.2-75.7175.1-177.5-69.2-1.5111.4E645 I763 A764 K769 L770 D771E645-R767 IonicContact OE1-NH1 3.99Å; I763-R767 VanDerWaalsContact O-CG 3.29Å; I763-R767 WeakPolarHBondContact O-CG 3.36Å; I763-R767 PolarHBondContact O-N 3.01Å; A764-R767 WeakPolarHBondContact O-CB 3.43Å; A764-R767 PolarHBondContact O-N 2.92Å; A764-R767 VanDerWaalsContact O-N 3.16Å; R767-K769 VanDerWaalsContact C-N 3.32Å; R767-K769 PolarHBondContact O-N 3.5Å; R767-L770 WeakPolarHBondContact O-CA 3.48Å; R767-L770 WeakPolarHBondContact O-CB 3.31Å; R767-L770 PolarHBondContact O-N 2.81Å; R767-D771 PolarHBondContact O-N 2.88Å
768Q76Confident71.3Confident124 Ų12492.7 Ų92.758%0.57946%0.458SS*.Hα-helixtrans-53.5-49.7177.5-174.8177.69.100111.3A764 L770 D771 D772A764-Q768 PolarHBondContact O-N 3.28Å; Q768-L770 VanDerWaalsContact C-N 3.28Å; Q768-L770 PolarHBondContact O-N 2.94Å; Q768-D771 PolarHBondContact O-N 3.28Å; Q768-D771 VanDerWaalsContact O-N 3.11Å; Q768-D772 PolarHBondContact O-N 3.5Å
769K73.7Confident71.6Confident128 Ų12894.6 Ų94.656%0.55747%0.465SS*.Hα-helixtrans-60.3-33.6176.5-72.7169.4-177.4171.40113.5K765 R767 F773K765-K769 WeakPolarHBondContact O-CD 3.42Å; K765-K769 WeakPolarHBondContact O-CG 3.48Å; K765-K769 PolarHBondContact O-N 3.47Å; R767-K769 VanDerWaalsContact C-N 3.32Å; R767-K769 PolarHBondContact O-N 3.5Å; K769-F773 WeakPolarHBondContact O-CB 3.3Å; K769-F773 WeakPolarHBondContact O-CD2 3.37Å; K769-F773 WeakPolarHBondContact O-CG 3.28Å; K769-F773 PolarHBondContact O-N 3.19Å
770L60.7Low72.2Confident81 Ų8191.3 Ų91.342%0.42446%0.455SS..Hα-helixtrans-69.3-41.9174.5-97.9164.3000111.8L766 R767 Q768 F773 R774L766-L770 PolarHBondContact O-N 3.01Å; L766-L770 VanDerWaalsContact O-N 3.11Å; R767-L770 WeakPolarHBondContact O-CA 3.48Å; R767-L770 WeakPolarHBondContact O-CB 3.31Å; R767-L770 PolarHBondContact O-N 2.81Å; Q768-L770 VanDerWaalsContact C-N 3.28Å; Q768-L770 PolarHBondContact O-N 2.94Å; L770-F773 PolarHBondContact O-N 3.3Å; L770-R774 VanDerWaalsContact O-CB 3.32Å; L770-R774 WeakPolarHBondContact O-CB 3.34Å; L770-R774 PolarHBondContact O-N 3.43Å
771D71.5Confident72.6Confident101 Ų10194.8 Ų94.854%0.5446%0.459SS..Hα-helixtrans-68.8-37.4176.3-67.5-44.2000111.5R767 Q768 R774 L775R767-D771 PolarHBondContact O-N 2.88Å; Q768-D771 PolarHBondContact O-N 3.28Å; Q768-D771 VanDerWaalsContact O-N 3.11Å; D771-R774 PolarHBondContact O-N 3.29Å; D771-L775 WeakPolarHBondContact O-CB 3.37Å; D771-L775 PolarHBondContact O-N 3.47Å
772D76.2Confident72.9Confident84 Ų8497.1 Ų97.145%0.44946%0.463SS..Hα-helixtrans-61.1-49.2170.9-64.4-34.5000111.5Q768 R774 L775 N776Q768-D772 PolarHBondContact O-N 3.5Å; D772-R774 VanDerWaalsContact C-N 3.27Å; D772-R774 PolarHBondContact O-N 2.9Å; D772-L775 PolarHBondContact O-N 3.3Å; D772-N776 WeakPolarHBondContact O-CB 3.37Å; D772-N776 PolarHBondContact O-N 3.48Å
773F67.4Low73.4Confident103 Ų10399.8 Ų99.845%0.45247%0.473SS..Hα-helixtrans-62-35.9176-84.2-54.7000112.2K769 L770 L777K769-F773 WeakPolarHBondContact O-CB 3.3Å; K769-F773 WeakPolarHBondContact O-CD2 3.37Å; K769-F773 WeakPolarHBondContact O-CG 3.28Å; K769-F773 PolarHBondContact O-N 3.19Å; L770-F773 PolarHBondContact O-N 3.3Å; F773-L777 WeakPolarHBondContact O-CB 3.24Å; F773-L777 PolarHBondContact O-N 2.92Å
774R69.4Low74Confident151 Ų151105.3 Ų105.357%0.5749%0.491SS*.Hα-helixtrans-67.9-46.7175.6179.7-178.9171173.6-2.4111.3L770 D771 D772 N776 L777 E778L770-R774 VanDerWaalsContact O-CB 3.32Å; L770-R774 WeakPolarHBondContact O-CB 3.34Å; L770-R774 PolarHBondContact O-N 3.43Å; D771-R774 PolarHBondContact O-N 3.29Å; D772-R774 VanDerWaalsContact C-N 3.27Å; D772-R774 PolarHBondContact O-N 2.9Å; R774-N776 VanDerWaalsContact C-N 3.29Å; R774-N776 PolarHBondContact O-N 3.09Å; R774-L777 PolarHBondContact O-N 2.9Å; R774-E778 IonicContact CZ-OE1 3.08Å; R774-E778 VanDerWaalsContact CZ-OE1 3.31Å; R774-E778 IonicContact NE-OE1 3.23Å; R774-E778 PolarHBondContact NE-OE1 3Å; R774-E778 IonicContact NH2-OE1 2.63Å; R774-E778 PolarHBondContact NH2-OE1 3.44Å; R774-E778 WeakPolarHBondContact O-CB 3.47Å; R774-E778 WeakPolarHBondContact O-CG 3.42Å; R774-E778 PolarHBondContact O-N 3.37Å
775L73.6Confident74.1Confident124 Ų124105.6 Ų105.665%0.64949%0.489SS*.Hα-helixtrans-58.3-44.4177-17371.7000110.4D771 D772 E778 L779D771-L775 WeakPolarHBondContact O-CB 3.37Å; D771-L775 PolarHBondContact O-N 3.47Å; D772-L775 PolarHBondContact O-N 3.3Å; L775-E778 CarbonylContact O-C 3.59Å; L775-E778 PolarHBondContact O-N 2.87Å; L775-L779 WeakPolarHBondContact O-CB 3.35Å; L775-L779 PolarHBondContact O-N 3.31Å
776N74.4Confident74.5Confident96 Ų96104 Ų10451%0.51349%0.492SS..Hα-helixtrans-63-41.9176.2-166.983.5000112.4D772 R774 L779 E780D772-N776 WeakPolarHBondContact O-CB 3.37Å; D772-N776 PolarHBondContact O-N 3.48Å; R774-N776 VanDerWaalsContact C-N 3.29Å; R774-N776 PolarHBondContact O-N 3.09Å; N776-L779 WeakPolarHBondContact O-CB 3.38Å; N776-L779 PolarHBondContact O-N 3.02Å; N776-E780 WeakPolarHBondContact O-CB 3.44Å; N776-E780 PolarHBondContact O-N 3.4Å
777L70.4Confident75Confident25 Ų25103 Ų10313%0.13148%0.484CS..Hα-helixtrans-65.7-36.5174.8-174.772.5000112.4F773 R774 L779 K781F773-L777 WeakPolarHBondContact O-CB 3.24Å; F773-L777 PolarHBondContact O-N 2.92Å; R774-L777 PolarHBondContact O-N 2.9Å; L777-L779 VanDerWaalsContact C-N 3.33Å; L777-K781 HydrophobicContact CG-CD 4.33Å; L777-K781 WeakPolarHBondContact O-CB 3.2Å; L777-K781 VanDerWaalsContact O-CG 3.24Å; L777-K781 WeakPolarHBondContact O-CG 3.26Å; L777-K781 PolarHBondContact O-N 2.88Å
778E75.5Confident76.3Confident66 Ų66105 Ų10531%0.30850%0.496SS..Hα-helixtrans-73.6-23.1175-73.3-168.3-154.500112.7R774 L775 R782R774-E778 IonicContact CZ-OE1 3.08Å; R774-E778 VanDerWaalsContact CZ-OE1 3.31Å; R774-E778 IonicContact NE-OE1 3.23Å; R774-E778 PolarHBondContact NE-OE1 3Å; R774-E778 IonicContact NH2-OE1 2.63Å; R774-E778 PolarHBondContact NH2-OE1 3.44Å; R774-E778 WeakPolarHBondContact O-CB 3.47Å; R774-E778 WeakPolarHBondContact O-CG 3.42Å; R774-E778 PolarHBondContact O-N 3.37Å; L775-E778 CarbonylContact O-C 3.59Å; L775-E778 PolarHBondContact O-N 2.87Å; E778-R782 WeakPolarHBondContact O-CG 3.34Å; E778-R782 PolarHBondContact O-N 2.68Å; E778-R782 PolarHBondContact O-NH1 3.03Å; E778-R782 IonicContact OE2-NH1 3.39Å
779L81.5Confident76.8Confident108 Ų108103.5 Ų103.557%0.56549%0.491SS*.Hα-helixtrans-74.5-50.8168.6-167.181.9000110.7L775 N776 L777 K781 R782 Q783L775-L779 WeakPolarHBondContact O-CB 3.35Å; L775-L779 PolarHBondContact O-N 3.31Å; N776-L779 WeakPolarHBondContact O-CB 3.38Å; N776-L779 PolarHBondContact O-N 3.02Å; L777-L779 VanDerWaalsContact C-N 3.33Å; L779-K781 VanDerWaalsContact C-N 3.32Å; L779-K781 PolarHBondContact O-N 3.43Å; L779-R782 WeakPolarHBondContact O-CA 3.46Å; L779-R782 WeakPolarHBondContact O-CB 3.38Å; L779-R782 PolarHBondContact O-N 3.41Å; L779-Q783 PolarHBondContact O-N 2.89Å
780E82.3Confident77.6Confident81 Ų81103.2 Ų103.238%0.37949%0.49SS..Hα-helixtrans-58.3-43.3179.6-158.7-159.5147.100111.2N776 R782 Q783 W784N776-E780 WeakPolarHBondContact O-CB 3.44Å; N776-E780 PolarHBondContact O-N 3.4Å; E780-R782 VanDerWaalsContact C-N 3.32Å; E780-R782 PolarHBondContact O-N 2.7Å; E780-Q783 WeakPolarHBondContact O-CB 3.39Å; E780-Q783 PolarHBondContact O-N 3.31Å; E780-Q783 VanDerWaalsContact O-N 3.17Å; E780-W784 VanDerWaalsContact O-CD1 3.24Å; E780-W784 PolarHBondContact O-N 2.93Å; E780-W784 PolarHBondContact OE1-NE1 3.5Å
781K78.5Confident79Confident130 Ų130103.6 Ų103.657%0.56550%0.496SS*.Hα-helixtrans-61.9-34.6174.1-76.9172.3179176.10113.5L777 L779 S785L777-K781 HydrophobicContact CG-CD 4.33Å; L777-K781 WeakPolarHBondContact O-CB 3.2Å; L777-K781 VanDerWaalsContact O-CG 3.24Å; L777-K781 WeakPolarHBondContact O-CG 3.26Å; L777-K781 PolarHBondContact O-N 2.88Å; L779-K781 VanDerWaalsContact C-N 3.32Å; L779-K781 PolarHBondContact O-N 3.43Å; K781-S785 WeakPolarHBondContact O-CB 3.42Å; K781-S785 PolarHBondContact O-N 2.98Å
782R79.3Confident79.8Confident159 Ų159102.4 Ų102.460%0.649%0.489SS*.Hα-helixtrans-69.3-40.8173.7-76.7175.1177.789-8.3110.9E778 L779 E780 S785 A786E778-R782 WeakPolarHBondContact O-CG 3.34Å; E778-R782 PolarHBondContact O-N 2.68Å; E778-R782 PolarHBondContact O-NH1 3.03Å; E778-R782 IonicContact OE2-NH1 3.39Å; L779-R782 WeakPolarHBondContact O-CA 3.46Å; L779-R782 WeakPolarHBondContact O-CB 3.38Å; L779-R782 PolarHBondContact O-N 3.41Å; E780-R782 VanDerWaalsContact C-N 3.32Å; E780-R782 PolarHBondContact O-N 2.7Å; R782-S785 PolarHBondContact O-N 3.26Å; R782-A786 WeakPolarHBondContact O-CB 3.19Å; R782-A786 PolarHBondContact O-N 3.08Å
783Q78.9Confident80.3Confident130 Ų130100.1 Ų100.161%0.60749%0.485SS*.Hα-helixtrans-62.7-48.1176-170.7172.32.800111.6L779 E780 S785 A786 E787L779-Q783 PolarHBondContact O-N 2.89Å; E780-Q783 WeakPolarHBondContact O-CB 3.39Å; E780-Q783 PolarHBondContact O-N 3.31Å; E780-Q783 VanDerWaalsContact O-N 3.17Å; Q783-S785 VanDerWaalsContact C-N 3.35Å; Q783-S785 PolarHBondContact O-N 2.84Å; Q783-A786 PolarHBondContact O-N 2.87Å; Q783-E787 PolarHBondContact O-N 2.82Å
784W80.9Confident81.4Confident175 Ų175102.4 Ų102.466%0.66349%0.492SS*.Hα-helixtrans-62-36.6174.2-78.6115.1000113.3E780 K788E780-W784 VanDerWaalsContact O-CD1 3.24Å; E780-W784 PolarHBondContact O-N 2.93Å; E780-W784 PolarHBondContact OE1-NE1 3.5Å; W784-K788 VanDerWaalsContact O-CB 3.22Å; W784-K788 WeakPolarHBondContact O-CB 3.28Å; W784-K788 PolarHBondContact O-N 3.4Å
785S74.5Confident82.2Confident59 Ų59101.1 Ų101.141%0.41349%0.492SS..Hα-helixtrans-64.9-49.9173.2-163.30000111.1K781 R782 Q783 E787 K788 D789K781-S785 WeakPolarHBondContact O-CB 3.42Å; K781-S785 PolarHBondContact O-N 2.98Å; R782-S785 PolarHBondContact O-N 3.26Å; Q783-S785 VanDerWaalsContact C-N 3.35Å; Q783-S785 PolarHBondContact O-N 2.84Å; S785-E787 VanDerWaalsContact C-N 3.31Å; S785-E787 PolarHBondContact O-N 3.49Å; S785-K788 WeakPolarHBondContact O-CB 3.29Å; S785-K788 PolarHBondContact O-N 2.99Å; S785-D789 WeakPolarHBondContact O-CB 3.39Å; S785-D789 VanDerWaalsContact O-CG 3.25Å; S785-D789 PolarHBondContact O-N 3.19Å; S785-D789 PolarHBondContact OG-OD2 2.83Å
786A84.8Confident83Confident51 Ų51101.2 Ų101.242%0.42149%0.488SS..Hα-helixtrans-60.2-40179.700000112.2R782 Q783 D789 K790R782-A786 WeakPolarHBondContact O-CB 3.19Å; R782-A786 PolarHBondContact O-N 3.08Å; Q783-A786 PolarHBondContact O-N 2.87Å; A786-D789 PolarHBondContact O-N 3.49Å; A786-K790 WeakPolarHBondContact O-CG 3.43Å; A786-K790 PolarHBondContact O-N 3.35Å
787E86.4Confident83.7Confident85 Ų85103.2 Ų103.240%0.39749%0.494SS..Hα-helixtrans-69.1-40.9176.2-148.762.8-134.900112Q783 S785 D789 K790 V791Q783-E787 PolarHBondContact O-N 2.82Å; S785-E787 VanDerWaalsContact C-N 3.31Å; S785-E787 PolarHBondContact O-N 3.49Å; E787-D789 VanDerWaalsContact C-N 3.31Å; E787-D789 PolarHBondContact O-N 2.83Å; E787-K790 VanDerWaalsContact CD-NZ 3.27Å; E787-K790 WeakPolarHBondContact O-CB 3.46Å; E787-K790 PolarHBondContact O-N 2.86Å; E787-K790 WeakPolarHBondContact OE1-CD 3.42Å; E787-K790 IonicContact OE1-NZ 2.76Å; E787-K790 PolarHBondContact OE1-NZ 3.49Å; E787-K790 VanDerWaalsContact OE1-NZ 3.08Å; E787-K790 IonicContact OE2-NZ 3.62Å; E787-K790 PolarHBondContact OE2-NZ 3.33Å; E787-V791 WeakPolarHBondContact O-CG2 3.34Å; E787-V791 PolarHBondContact O-N 3.33Å
788K87.6Confident84.7Confident145 Ų145105.1 Ų105.163%0.6350%0.504SS*.Hα-helixtrans-59.8-41.3172.3176.8179.3175.9177.90112.1W784 S785 V791 L792W784-K788 VanDerWaalsContact O-CB 3.22Å; W784-K788 WeakPolarHBondContact O-CB 3.28Å; W784-K788 PolarHBondContact O-N 3.4Å; S785-K788 WeakPolarHBondContact O-CB 3.29Å; S785-K788 PolarHBondContact O-N 2.99Å; K788-V791 PolarHBondContact O-N 2.86Å; K788-L792 WeakPolarHBondContact O-CB 3.48Å; K788-L792 PolarHBondContact O-N 3.44Å
789D84.9Confident85.2Confident91 Ų91107.8 Ų107.849%0.48752%0.516SS..Hα-helixtrans-69.8-34.4179.9-68.5-41.6000111.6S785 A786 E787 G793S785-D789 WeakPolarHBondContact O-CB 3.39Å; S785-D789 VanDerWaalsContact O-CG 3.25Å; S785-D789 PolarHBondContact O-N 3.19Å; S785-D789 PolarHBondContact OG-OD2 2.83Å; A786-D789 PolarHBondContact O-N 3.49Å; E787-D789 VanDerWaalsContact C-N 3.31Å; E787-D789 PolarHBondContact O-N 2.83Å; D789-G793 PolarHBondContact O-N 2.63Å
790K92.2Very high85.5Confident123 Ų123105.2 Ų105.254%0.53551%0.511SS..Hα-helixtrans-62.4-48.6167.2-68169.4-170.2171.60112.1A786 E787 L792 G793 Y794A786-K790 WeakPolarHBondContact O-CG 3.43Å; A786-K790 PolarHBondContact O-N 3.35Å; E787-K790 VanDerWaalsContact CD-NZ 3.27Å; E787-K790 WeakPolarHBondContact O-CB 3.46Å; E787-K790 PolarHBondContact O-N 2.86Å; E787-K790 WeakPolarHBondContact OE1-CD 3.42Å; E787-K790 IonicContact OE1-NZ 2.76Å; E787-K790 PolarHBondContact OE1-NZ 3.49Å; E787-K790 VanDerWaalsContact OE1-NZ 3.08Å; E787-K790 IonicContact OE2-NZ 3.62Å; E787-K790 PolarHBondContact OE2-NZ 3.33Å; K790-L792 VanDerWaalsContact C-N 3.32Å; K790-L792 PolarHBondContact O-N 3.05Å; K790-G793 CarbonylContact O-C 3.57Å; K790-G793 WeakPolarHBondContact O-CA 3.35Å; K790-G793 PolarHBondContact O-N 3.03Å; K790-G793 VanDerWaalsContact O-N 3.09Å; K790-Y794 PolarHBondContact O-N 3.47Å
791V88.3Confident85.8Confident89 Ų89106.6 Ų106.654%0.53952%0.517SS..Hα-helixtrans-60.9-42.9179.8170.10000110.6E787 K788 G793 Y794 Q795E787-V791 WeakPolarHBondContact O-CG2 3.34Å; E787-V791 PolarHBondContact O-N 3.33Å; K788-V791 PolarHBondContact O-N 2.86Å; V791-G793 VanDerWaalsContact C-N 3.32Å; V791-G793 PolarHBondContact O-N 3.41Å; V791-Y794 PolarHBondContact O-N 2.89Å; V791-Q795 WeakPolarHBondContact O-CB 3.21Å; V791-Q795 PolarHBondContact O-N 2.9Å
792L88.6Confident86.3Confident75 Ų75107 Ų10739%0.39352%0.516SS..Hα-helixtrans-65.7-35174.6-171.366.6000112.1K788 K790 K796K788-L792 WeakPolarHBondContact O-CB 3.48Å; K788-L792 PolarHBondContact O-N 3.44Å; K790-L792 VanDerWaalsContact C-N 3.32Å; K790-L792 PolarHBondContact O-N 3.05Å; L792-K796 WeakPolarHBondContact O-CB 3.47Å; L792-K796 VanDerWaalsContact O-CG 3.24Å; L792-K796 WeakPolarHBondContact O-CG 3.27Å; L792-K796 PolarHBondContact O-N 3.3Å
793G87.6Confident86.8Confident36 Ų36103.4 Ų103.437%0.37151%0.508SS..Hα-helixtrans-63.3-49171.600000112.8D789 K790 V791 Q795 K796 Q797D789-G793 PolarHBondContact O-N 2.63Å; K790-G793 CarbonylContact O-C 3.57Å; K790-G793 WeakPolarHBondContact O-CA 3.35Å; K790-G793 PolarHBondContact O-N 3.03Å; K790-G793 VanDerWaalsContact O-N 3.09Å; V791-G793 VanDerWaalsContact C-N 3.32Å; V791-G793 PolarHBondContact O-N 3.41Å; G793-Q795 PolarHBondContact O-N 3.28Å; G793-K796 PolarHBondContact O-N 3.48Å; G793-Q797 PolarHBondContact O-N 2.99Å
794Y89.9Confident87.1Confident152 Ų152103.4 Ų103.460%0.59651%0.508SS*.Hα-helixtrans-61.4-43.1175.6179.8-100.3000111.7K790 V791 K796 Q797 L798K790-Y794 PolarHBondContact O-N 3.47Å; V791-Y794 PolarHBondContact O-N 2.89Å; Y794-K796 PolarHBondContact O-N 2.88Å; Y794-Q797 PolarHBondContact O-N 2.91Å; Y794-L798 HydrophobicContact CE1-CD2 4.48Å; Y794-L798 WeakPolarHBondContact O-CB 3.34Å; Y794-L798 PolarHBondContact O-N 2.76Å
795Q85.5Confident87.5Confident123 Ų12399.5 Ų99.558%0.57550%0.498SS*.Hα-helixtrans-65.1-38.3177.8-165.5170.528.300112V791 G793 Q799V791-Q795 WeakPolarHBondContact O-CB 3.21Å; V791-Q795 PolarHBondContact O-N 2.9Å; G793-Q795 PolarHBondContact O-N 3.28Å; Q795-Q799 WeakPolarHBondContact O-CB 3.36Å; Q795-Q799 PolarHBondContact O-N 3.46Å
796K91.6Very high88.1Confident127 Ų127103.4 Ų103.455%0.55251%0.505SS*.Hα-helixtrans-63.7-42.4170.4-76.1169.5179.1177.70112.3L792 G793 Y794 Q799 A800L792-K796 WeakPolarHBondContact O-CB 3.47Å; L792-K796 VanDerWaalsContact O-CG 3.24Å; L792-K796 WeakPolarHBondContact O-CG 3.27Å; L792-K796 PolarHBondContact O-N 3.3Å; G793-K796 PolarHBondContact O-N 3.48Å; Y794-K796 PolarHBondContact O-N 2.88Å; K796-Q799 PolarHBondContact O-N 2.97Å; K796-A800 WeakPolarHBondContact O-CB 3.34Å; K796-A800 PolarHBondContact O-N 3.24Å
797Q89.2Confident88.3Confident138 Ų138106.2 Ų106.265%0.64551%0.509SS*.Hα-helixtrans-64.6-42177.7-174.3178.73.700111.5G793 Y794 A800 H801G793-Q797 PolarHBondContact O-N 2.99Å; Y794-Q797 PolarHBondContact O-N 2.91Å; Q797-A800 PolarHBondContact O-N 2.93Å; Q797-H801 WeakPolarHBondContact O-CB 3.48Å; Q797-H801 PolarHBondContact O-N 3.37Å
798L91.4Very high88.2Confident64 Ų64109 Ų10934%0.33552%0.52SS..Hα-helixtrans-64.4-43.6175.4-175.864000111.4Y794 A800 H801 Y802Y794-L798 HydrophobicContact CE1-CD2 4.48Å; Y794-L798 WeakPolarHBondContact O-CB 3.34Å; Y794-L798 PolarHBondContact O-N 2.76Å; L798-A800 PolarHBondContact O-N 3.06Å; L798-H801 PolarHBondContact O-N 3.24Å; L798-Y802 HydrophobicContact CD1-CD2 4.32Å; L798-Y802 HydrophobicContact CD1-CE2 3.8Å; L798-Y802 HydrophobicContact CD2-CE2 4.23Å; L798-Y802 HydrophobicContact CG-CD2 4.07Å; L798-Y802 HydrophobicContact CG-CE2 3.69Å; L798-Y802 WeakPolarHBondContact O-CD2 3.41Å; L798-Y802 PolarHBondContact O-N 3.45Å
799Q85.2Confident88Confident122 Ų122106.5 Ų106.557%0.5751%0.513SS*.Hα-helixtrans-61.9-42.1174.1-170.3176.918.500111.8Q795 K796 Y802 I803Q795-Q799 WeakPolarHBondContact O-CB 3.36Å; Q795-Q799 PolarHBondContact O-N 3.46Å; K796-Q799 PolarHBondContact O-N 2.97Å; Q799-Y802 PolarHBondContact O-N 2.87Å; Q799-I803 HydrophobicContact CG-CD1 4.15Å; Q799-I803 VanDerWaalsContact O-CG1 3.29Å; Q799-I803 WeakPolarHBondContact O-CG1 3.28Å; Q799-I803 PolarHBondContact O-N 2.85Å
800A88.4Confident87.9Confident55 Ų55109.7 Ų109.746%0.45552%0.518SS..Hα-helixtrans-63.8-39174.700000112.2K796 Q797 L798 I803 Q804K796-A800 WeakPolarHBondContact O-CB 3.34Å; K796-A800 PolarHBondContact O-N 3.24Å; Q797-A800 PolarHBondContact O-N 2.93Å; L798-A800 PolarHBondContact O-N 3.06Å; A800-I803 PolarHBondContact O-N 3.34Å; A800-Q804 WeakPolarHBondContact O-CB 3.44Å; A800-Q804 PolarHBondContact O-N 3.39Å
801H87.8Confident87.3Confident110 Ų110108 Ų10851%0.50952%0.52SS..Hα-helixtrans-64.2-43.3174.8-177.4-94.6000112.1Q797 L798 I803 Q804 M805Q797-H801 WeakPolarHBondContact O-CB 3.48Å; Q797-H801 PolarHBondContact O-N 3.37Å; L798-H801 PolarHBondContact O-N 3.24Å; H801-I803 PolarHBondContact O-N 2.7Å; H801-Q804 PolarHBondContact O-N 3.32Å; H801-M805 WeakPolarHBondContact O-CB 3.47Å; H801-M805 PolarHBondContact O-N 3.25Å
802Y89Confident86.9Confident137 Ų137108.8 Ų108.854%0.53752%0.521SS..Hα-helixtrans-61.2-42.5173-77.7-61.8000112.2L798 Q799 M805 Y806L798-Y802 HydrophobicContact CD1-CD2 4.32Å; L798-Y802 HydrophobicContact CD1-CE2 3.8Å; L798-Y802 HydrophobicContact CD2-CE2 4.23Å; L798-Y802 HydrophobicContact CG-CD2 4.07Å; L798-Y802 HydrophobicContact CG-CE2 3.69Å; L798-Y802 WeakPolarHBondContact O-CD2 3.41Å; L798-Y802 PolarHBondContact O-N 3.45Å; Q799-Y802 PolarHBondContact O-N 2.87Å; Y802-M805 HydrophobicContact CD1-CE 4.02Å; Y802-M805 HydrophobicContact CE1-CE 4.46Å; Y802-M805 PolarHBondContact O-N 2.91Å; Y802-Y806 WeakPolarHBondContact O-CB 3.4Å; Y802-Y806 PolarHBondContact O-N 3.15Å
803I89.6Confident86.3Confident85 Ų85108.7 Ų108.744%0.43652%0.521SS..Hα-helixtrans-63.4-44.4175.8-69164.4000111Q799 A800 H801 M805 Y806 Q807Q799-I803 HydrophobicContact CG-CD1 4.15Å; Q799-I803 VanDerWaalsContact O-CG1 3.29Å; Q799-I803 WeakPolarHBondContact O-CG1 3.28Å; Q799-I803 PolarHBondContact O-N 2.85Å; A800-I803 PolarHBondContact O-N 3.34Å; H801-I803 PolarHBondContact O-N 2.7Å; I803-M805 PolarHBondContact O-N 3.04Å; I803-Y806 PolarHBondContact O-N 3.29Å; I803-Q807 HydrophobicContact CG2-CG 4.41Å; I803-Q807 WeakPolarHBondContact O-CB 3.35Å; I803-Q807 VanDerWaalsContact O-CG 3.28Å; I803-Q807 WeakPolarHBondContact O-CG 3.34Å; I803-Q807 PolarHBondContact O-N 2.88Å
804Q86.4Confident85.7Confident129 Ų129110.7 Ų110.760%0.60353%0.53SS*.Hα-helixtrans-64.1-39.3177.6-172.4-177.511.100111.9A800 H801 Q807 K808A800-Q804 WeakPolarHBondContact O-CB 3.44Å; A800-Q804 PolarHBondContact O-N 3.39Å; H801-Q804 PolarHBondContact O-N 3.32Å; Q804-Q807 PolarHBondContact O-N 3.07Å; Q804-K808 WeakPolarHBondContact O-CB 3.44Å; Q804-K808 PolarHBondContact O-N 3.05Å
805M89.6Confident84.8Confident93 Ų93105.8 Ų105.846%0.45852%0.521SS..Hα-helixtrans-63.5-45.8174.9-173.3178.876.300111.3H801 Y802 I803 K808 L809H801-M805 WeakPolarHBondContact O-CB 3.47Å; H801-M805 PolarHBondContact O-N 3.25Å; Y802-M805 HydrophobicContact CD1-CE 4.02Å; Y802-M805 HydrophobicContact CE1-CE 4.46Å; Y802-M805 PolarHBondContact O-N 2.91Å; I803-M805 PolarHBondContact O-N 3.04Å; M805-K808 PolarHBondContact O-N 3.41Å; M805-L809 WeakPolarHBondContact O-CG 3.48Å; M805-L809 PolarHBondContact O-N 2.83Å
806Y87.1Confident83.8Confident142 Ų142102.2 Ų102.256%0.55752%0.517SS*.Hα-helixtrans-64.7-39.7176.4-171.3-96.5000112.6Y802 I803 L809 R810Y802-Y806 WeakPolarHBondContact O-CB 3.4Å; Y802-Y806 PolarHBondContact O-N 3.15Å; I803-Y806 PolarHBondContact O-N 3.29Å; Y806-L809 PolarHBondContact O-N 3.28Å; Y806-R810 HydrophobicContact CE1-CG 4.3Å; Y806-R810 PolarHBondContact O-N 3.05Å
807Q87.2Confident82.3Confident109 Ų10999.2 Ų99.251%0.50952%0.516SS..Hα-helixtrans-62.5-44.1171.6-74.3172.8-3.400111.5I803 Q804 L809 R810 C811I803-Q807 HydrophobicContact CG2-CG 4.41Å; I803-Q807 WeakPolarHBondContact O-CB 3.35Å; I803-Q807 VanDerWaalsContact O-CG 3.28Å; I803-Q807 WeakPolarHBondContact O-CG 3.34Å; I803-Q807 PolarHBondContact O-N 2.88Å; Q804-Q807 PolarHBondContact O-N 3.07Å; Q807-L809 VanDerWaalsContact C-N 3.35Å; Q807-L809 PolarHBondContact O-N 3.09Å; Q807-R810 PolarHBondContact O-N 3.42Å; Q807-C811 PolarHBondContact O-N 3.46Å; Q807-C811 PolarHBondContact O-SG 2.91Å
808K84.8Confident80.9Confident143 Ų14395 Ų9562%0.62250%0.504SS*.Hα-helixtrans-63.2-39.7178-171.8177-179.9-1770112Q804 M805 C811 L812Q804-K808 WeakPolarHBondContact O-CB 3.44Å; Q804-K808 PolarHBondContact O-N 3.05Å; M805-K808 PolarHBondContact O-N 3.41Å; K808-C811 PolarHBondContact O-N 3.22Å; K808-L812 HydrophobicContact CG-CD1 4.34Å; K808-L812 WeakPolarHBondContact O-CG 3.22Å; K808-L812 PolarHBondContact O-N 3.48Å
809L83.3Confident79.3Confident93 Ų9396 Ų9649%0.48751%0.513SS..Hα-helixtrans-59.5-50.5172.2-72.7164.6000110.9M805 Y806 Q807 C811 L812 D813M805-L809 WeakPolarHBondContact O-CG 3.48Å; M805-L809 PolarHBondContact O-N 2.83Å; Y806-L809 PolarHBondContact O-N 3.28Å; Q807-L809 VanDerWaalsContact C-N 3.35Å; Q807-L809 PolarHBondContact O-N 3.09Å; L809-C811 VanDerWaalsContact C-N 3.29Å; L809-C811 PolarHBondContact O-N 3.3Å; L809-L812 PolarHBondContact O-N 2.88Å; L809-L812 VanDerWaalsContact O-N 3.09Å; L809-D813 PolarHBondContact O-N 3.46Å
810R82.7Confident78Confident159 Ų15992.3 Ų92.360%0.651%0.507SS*.Hα-helixtrans-63.1-29.7175.9-69.3-142.7-60.8157.9-1.2114.5Y806 Q807 S814Y806-R810 HydrophobicContact CE1-CG 4.3Å; Y806-R810 PolarHBondContact O-N 3.05Å; Q807-R810 PolarHBondContact O-N 3.42Å; R810-S814 VanDerWaalsContact O-CB 3.28Å; R810-S814 WeakPolarHBondContact O-CB 3.44Å; R810-S814 PolarHBondContact O-N 2.85Å; R810-S814 PolarHBondContact O-OG 2.99Å
811C80.2Confident76.2Confident86 Ų8696.5 Ų96.558%0.58152%0.518SS*.Hα-helixtrans-72.7-35.5173.1-69.60000112.1Q807 K808 L809 A815Q807-C811 PolarHBondContact O-N 3.46Å; Q807-C811 PolarHBondContact O-SG 2.91Å; K808-C811 PolarHBondContact O-N 3.22Å; L809-C811 VanDerWaalsContact C-N 3.29Å; L809-C811 PolarHBondContact O-N 3.3Å; C811-A815 WeakPolarHBondContact O-CB 3.36Å; C811-A815 PolarHBondContact O-N 3.2Å
812L79.2Confident74.6Confident106 Ų10695.4 Ų95.456%0.55552%0.518SS*.Hα-helixtrans-71.5-43.4175.1-72.1171.1000111.7K808 L809 S814 A815 G816K808-L812 HydrophobicContact CG-CD1 4.34Å; K808-L812 WeakPolarHBondContact O-CG 3.22Å; K808-L812 PolarHBondContact O-N 3.48Å; L809-L812 PolarHBondContact O-N 2.88Å; L809-L812 VanDerWaalsContact O-N 3.09Å; L812-S814 PolarHBondContact O-N 3.29Å; L812-A815 PolarHBondContact O-N 3.37Å; L812-G816 PolarHBondContact O-N 3.35Å
813D75.9Confident72.7Confident73 Ų7396.1 Ų96.139%0.3953%0.526SS..Hα-helixtrans-58.4-46.9172.7-72.8-14.4000110.6R393 L809 A815 G816 A817R393-D813 IonicContact CZ-OD2 2.74Å; R393-D813 IonicContact NH1-OD2 3.52Å; R393-D813 PolarHBondContact NH1-OD2 2.94Å; R393-D813 IonicContact NH2-OD1 3.71Å; R393-D813 IonicContact NH2-OD2 3.71Å; L809-D813 PolarHBondContact O-N 3.46Å; D813-A815 PolarHBondContact O-N 3.45Å; D813-G816 PolarHBondContact O-N 3.46Å; D813-A817 PolarHBondContact O-N 3.36Å
814S75.2Confident70.9Confident79 Ų7996.1 Ų96.155%0.55254%0.539SS*.Hα-helixtrans-61.5-39.8175-60.20000113.1R810 L812 A818R810-S814 VanDerWaalsContact O-CB 3.28Å; R810-S814 WeakPolarHBondContact O-CB 3.44Å; R810-S814 PolarHBondContact O-N 2.85Å; R810-S814 PolarHBondContact O-OG 2.99Å; L812-S814 PolarHBondContact O-N 3.29Å; S814-A818 WeakPolarHBondContact O-CB 3.33Å; S814-A818 PolarHBondContact O-N 3.34Å
815A72Confident69.5Low49 Ų4995.2 Ų95.241%0.40554%0.543SS..Hα-helixtrans-72.3-37.2179.800000112.1C811 L812 D813 A818 V819C811-A815 WeakPolarHBondContact O-CB 3.36Å; C811-A815 PolarHBondContact O-N 3.2Å; L812-A815 PolarHBondContact O-N 3.37Å; D813-A815 PolarHBondContact O-N 3.45Å; A815-A818 PolarHBondContact O-N 2.99Å; A815-V819 WeakPolarHBondContact O-CG2 3.37Å; A815-V819 PolarHBondContact O-N 3.05Å
816G65Low67.7Low48 Ų4895.1 Ų95.150%0.49555%0.551SS.*Hα-helixtrans-61.3-46171.900000111.7L812 D813 A818 V819 G820L812-G816 PolarHBondContact O-N 3.35Å; D813-G816 PolarHBondContact O-N 3.46Å; G816-A818 VanDerWaalsContact C-N 3.33Å; G816-A818 PolarHBondContact O-N 3.11Å; G816-V819 PolarHBondContact O-N 3.18Å; G816-G820 PolarHBondContact O-N 3Å
817A60.2Low65.8Low64 Ų6491.8 Ų91.853%0.52956%0.56SS.*Hα-helixtrans-60.5-39.5173.900000112.7D813 Q821D813-A817 PolarHBondContact O-N 3.36Å; A817-Q821 PolarHBondContact O-N 3.42Å
818A59.3Low63.5Low49 Ų4997.3 Ų97.341%0.40559%0.593SS.*Hα-helixtrans-68.6-42.117700000112.9S814 A815 G816 Q821 V822S814-A818 WeakPolarHBondContact O-CB 3.33Å; S814-A818 PolarHBondContact O-N 3.34Å; A815-A818 PolarHBondContact O-N 2.99Å; G816-A818 VanDerWaalsContact C-N 3.33Å; G816-A818 PolarHBondContact O-N 3.11Å; A818-Q821 PolarHBondContact O-N 3.01Å; A818-V822 WeakPolarHBondContact O-CG2 3.43Å; A818-V822 PolarHBondContact O-N 3.18Å
819V58.2Low62.4Low86 Ų8695 Ų9552%0.52159%0.592SS.*Hα-helixtrans-63.1-42.3175.9170.50000110.8A815 G816 Q821 V822 E823A815-V819 WeakPolarHBondContact O-CG2 3.37Å; A815-V819 PolarHBondContact O-N 3.05Å; G816-V819 PolarHBondContact O-N 3.18Å; V819-Q821 VanDerWaalsContact C-N 3.25Å; V819-Q821 PolarHBondContact O-N 3.28Å; V819-V822 PolarHBondContact O-N 2.89Å; V819-E823 PolarHBondContact O-N 3.3Å
820G56.5Low61.3Low43 Ų4395.1 Ų95.144%0.44360%0.597SS.*Hα-helixtrans-59.5-32.1173.900000113.9G816 A824G816-G820 PolarHBondContact O-N 3Å; G820-A824 WeakPolarHBondContact O-CB 3.39Å; G820-A824 PolarHBondContact O-N 3.16Å
821Q51.5Low60.1Low144 Ų14491.6 Ų91.667%0.67360%0.597SS**Hα-helixtrans-77.2-30.6172.4-72.9-172.3-9.300113.8A817 A818 V819 T825A817-Q821 PolarHBondContact O-N 3.42Å; A818-Q821 PolarHBondContact O-N 3.01Å; V819-Q821 VanDerWaalsContact C-N 3.25Å; V819-Q821 PolarHBondContact O-N 3.28Å; Q821-T825 WeakPolarHBondContact O-CG2 3.34Å; Q821-T825 PolarHBondContact O-N 3.16Å; Q821-T825 PolarHBondContact O-OG1 3.34Å
822V53.6Low58.9Low87 Ų8791.9 Ų91.953%0.52760%0.598SS.*Hα-helixtrans-74.4-38.8178.11730000111.7A818 V819 T825 S826A818-V822 WeakPolarHBondContact O-CG2 3.43Å; A818-V822 PolarHBondContact O-N 3.18Å; V819-V822 PolarHBondContact O-N 2.89Å; V822-T825 WeakPolarHBondContact CA-OG1 3.4Å; V822-T825 PolarHBondContact O-N 3.47Å; V822-T825 PolarHBondContact O-OG1 3.17Å; V822-S826 WeakPolarHBondContact O-CB 3.45Å; V822-S826 PolarHBondContact O-N 3.21Å; V822-S826 VanDerWaalsContact O-N 3.16Å; V822-S826 PolarHBondContact O-OG 2.77Å
823E49.3Very low57.7Low151 Ų15191 Ų9171%0.70660%0.601SS**Hα-helixtrans-65.3-40.8172-69.4-168.4132.500111.2V819 T825 S826V819-E823 PolarHBondContact O-N 3.3Å; E823-T825 PolarHBondContact O-N 3.23Å; E823-S826 PolarHBondContact O-N 2.73Å
824A52.6Low56.4Low86 Ų8692.2 Ų92.271%0.71162%0.615SS**THydrogen-bonded Turntrans-65.9-13.717600000115G820G820-A824 WeakPolarHBondContact O-CB 3.39Å; G820-A824 PolarHBondContact O-N 3.16Å
825T56.6Low55.1Low109 Ų10993.1 Ų93.167%0.66962%0.619SS**THydrogen-bonded Turntrans-111.6-5.2179.847.80000113.9Q821 V822 E823Q821-T825 WeakPolarHBondContact O-CG2 3.34Å; Q821-T825 PolarHBondContact O-N 3.16Å; Q821-T825 PolarHBondContact O-OG1 3.34Å; V822-T825 WeakPolarHBondContact CA-OG1 3.4Å; V822-T825 PolarHBondContact O-N 3.47Å; V822-T825 PolarHBondContact O-OG1 3.17Å; E823-T825 PolarHBondContact O-N 3.23Å
826S50.9Low53.8Low91 Ų9196.5 Ų96.564%0.63664%0.636SS**SBendtrans-108.27.1-177.4-53.70000113.8V822 E823V822-S826 WeakPolarHBondContact O-CB 3.45Å; V822-S826 PolarHBondContact O-N 3.21Å; V822-S826 VanDerWaalsContact O-N 3.16Å; V822-S826 PolarHBondContact O-OG 2.77Å; E823-S826 PolarHBondContact O-N 2.73Å
827G47.5Very low52.9Low73 Ų73100.6 Ų100.675%0.75365%0.648SS**  trans-113.423.2-173.100000115.8
828N38.5Very low52.2Low224 Ų224103.9 Ų103.9100%1.19866%0.658SS**  trans-146.10-174.9-176.199.2000112.5

Retrieved 828 of 828 residues in 208.5 ms (Link to these results)