A0A096M3I2_POEFO Loading...

Nebulette

AlphaFold DB , UniProt , Accession A0A096M3I2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 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
1M41.1Very low41.9Very low238 Ų238140.1 Ų140.1100%1.17277%0.773SS**  072.10-68.2173.9175.200104.5
2E40.3Very low41.5Very low188 Ų188141 Ų14188%0.87978%0.776SS**  61.9100.791.4-69.4-169.4175.500109.1
3A44.9Very low41.1Very low84 Ų84136.3 Ų136.369%0.69476%0.759SS**  97.2136.289.700000107.5
4E47.4Very low40.8Very low163 Ų163135.4 Ų135.476%0.76276%0.759SS**  cis-169.7136.618.9-104.7158.6-164.900105.5
5N44.6Very low40.5Very low140 Ų140135 Ų13575%0.74976%0.761SS**  65.4142.3103.4-61.8-9.7000114.3
6D41.7Very low40.2Very low130 Ų130136.9 Ų136.970%0.69576%0.762SS**  cis-167.6137.59.9-135.9-10.3000106.6
7S45.3Very low39.8Very low84 Ų84138.6 Ų138.659%0.58777%0.769SS**  73.2112101.4-82.30000116.4
8T40.4Very low39.5Very low133 Ų133138.7 Ų138.782%0.81677%0.768SS**  74.114790.160.70000112.5
9A40.5Very low39.3Very low76 Ų76137.3 Ų137.363%0.62877%0.769SS**  cis-171.7156.8-0.300000107.7
10E37Very low39.1Very low166 Ų166136.6 Ų136.678%0.77677%0.768SS**  trans52.2139.5133.5-60.9-175.716800124.5
11N38.3Very low39Very low139 Ų139136.5 Ų136.574%0.74377%0.77SS**  trans130.1106.1133.6-66.3-43.4000111.3
12D36.2Very low38.8Very low151 Ų151133.4 Ų133.481%0.80775%0.753SS**  86.9136.366.6-157.418.2000113.6
13S36.8Very low38.4Very low80 Ų80132.3 Ų132.356%0.55975%0.753SS**  trans-32.1153.3-173.557.60000121.6
14T36.3Very low37.8Very low124 Ų124134.9 Ų134.976%0.76176%0.755SS**  168.9136101.434.80000115.3
15V36.8Very low37.2Very low129 Ų129133 Ų13378%0.78276%0.761SS**  trans73.6113.9133.6-178.90000122.7
16E36.3Very low36.8Very low166 Ų166132.5 Ų132.578%0.77676%0.763SS**  trans28.9137.2136-48.7-150170.800124
17N33.6Very low36.5Very low166 Ų166131 Ų13189%0.88877%0.768SS**  -167.9148117.7-94.4-38.2000114
18D33.8Very low35.9Very low139 Ų139133 Ų13374%0.74378%0.782SS**  trans-78.9153-172.2-170.615.8000114.4
19S35.8Very low35.7Very low113 Ų113130.6 Ų130.679%0.7978%0.776SS**  trans178.3118.8138.140.70000112.5
20T35.1Very low35.8Very low122 Ų122133 Ų13375%0.74878%0.783SS**  trans-76.6140.9165.337.60000111
21V37.3Very low35.7Very low136 Ų136133.2 Ų133.282%0.82479%0.789SS**  trans-139.6115.9159.8176.80000108.7
22E35.5Very low35.6Very low172 Ų172129.5 Ų129.580%0.80478%0.784SS**  trans-65.8149168.4-62.6-115.614300111.4
23N33.4Very low35.9Very low165 Ų165130.6 Ų130.688%0.88278%0.784SS**  trans-153.4117.2150.1-90.5-33.8000110.2
24D32.8Very low36.1Very low138 Ų138136.2 Ų136.274%0.73880%0.798SS**  trans-95.1138.7176.8-159.89.1000108.8
25S34.8Very low36.3Very low125 Ų125138.8 Ų138.887%0.87480%0.802SS**  trans-167118.2161.8-81.10000111.6
26T35Very low36.5Very low129 Ų129139.7 Ų139.779%0.79180%0.798SS**  trans-100151.7176.837.40000111.8
27A34.9Very low36.9Very low97 Ų97137.6 Ų137.680%0.80279%0.791SS**  trans74.6120.1153.100000121.5
28S34.3Very low37.4Very low127 Ų127137.6 Ų137.689%0.88879%0.786SS**  173.6154.4100.250.60000111.9
29A36.2Very low37.9Very low83 Ų83135.3 Ų135.369%0.68678%0.777SS**  trans-115.6178-164.500000112.9
30T40.7Very low38.4Very low126 Ų126133.5 Ų133.577%0.77376%0.761SS**  trans77.7115152.967.90000120.1
31D36.1Very low39Very low170 Ų170134.4 Ų134.491%0.90976%0.757SS**SBend172.969.3116.6-104.2-24.8000112.1
32G36.3Very low39.2Very low62 Ų62130.1 Ų130.164%0.63974%0.74SS**SBendtrans-149-7.8179.500000117.7
33E41.2Very low39.7Very low174 Ų174128.3 Ų128.381%0.81373%0.732SS**SBendtrans-106.76.7-168.1-73.6-174.3138.200115.1
34K41.7Very low40.5Very low197 Ų197127.1 Ų127.186%0.85772%0.719SS**SBendtrans-92.5-13.9-175-129.4179.9-177.8-174.60115.4
35E40.7Very low41.3Very low179 Ų179127.7 Ų127.784%0.83672%0.717SS**SBendtrans-95.2-9.7-175.4-129.6177.2-177.100113.8
36Q41.4Very low41.7Very low148 Ų148128.6 Ų128.669%0.69271%0.705SS**SBendtrans-99.8-7.1-178-66.5-173.154.700114.3V40Q36-V40 WeakPolarHBondContact O-CG2 3.46Å
37L43.9Very low42.6Very low122 Ų122127.6 Ų127.664%0.63969%0.694SS**SBendtrans-87.8-27.1-178.9-86.9156.6000113.2
38E44.1Very low43.1Very low166 Ų166128.6 Ų128.678%0.77669%0.685SS**Hα-helixtrans-81.4-25.7-176.3-156.5169.3-169.100112.6
39T44.5Very low43.8Very low91 Ų91129.7 Ų129.756%0.55868%0.676SS**Hα-helixtrans-77.9-23.8176.846.90000113.7
40V47.1Very low44.2Very low75 Ų75131.9 Ų131.946%0.45567%0.672SS.*Hα-helixtrans-88.4-25.2-176.2178.80000112.3Q36Q36-V40 WeakPolarHBondContact O-CG2 3.46Å
41E47.5Very low44.5Very low141 Ų141129.5 Ų129.566%0.65966%0.658SS**Hα-helixtrans-75.2-38.3174-74.8-173.3154.700111.9E43 K44 E45E41-E43 VanDerWaalsContact C-N 3.3Å; E41-E43 PolarHBondContact O-N 3.36Å; E41-K44 PolarHBondContact O-N 3.16Å; E41-K44 VanDerWaalsContact O-N 3.16Å; E41-E45 PolarHBondContact O-N 3.37Å
42G40.4Very low45Very low46 Ų46128.1 Ų128.147%0.47465%0.645SS.*Hα-helixtrans-66.5-27.4175.400000114.5
43E47.8Very low45.4Very low133 Ų133132 Ų13262%0.62165%0.647SS**Hα-helixtrans-78.5-21.7174.6-73.2-175.9160.400112.9E41 I47E41-E43 VanDerWaalsContact C-N 3.3Å; E41-E43 PolarHBondContact O-N 3.36Å; E43-I47 VanDerWaalsContact O-CD1 3.3Å; E43-I47 WeakPolarHBondContact O-CD1 3.3Å; E43-I47 VanDerWaalsContact O-CG1 3.28Å; E43-I47 WeakPolarHBondContact O-CG1 3.5Å
44K49.4Very low45.4Very low140 Ų140131.6 Ų131.661%0.60964%0.643SS**Hα-helixtrans-79.3-37.6177-80.9-179.9174.7-179.80113.2E41 L48E41-K44 PolarHBondContact O-N 3.16Å; E41-K44 VanDerWaalsContact O-N 3.16Å; K44-L48 PolarHBondContact O-N 3.26Å
45E50Low45.4Very low150 Ų150129 Ų12970%0.70164%0.637SS**Hα-helixtrans-67.9-37.8177.3-76-175.7157.800111.6E41 I47 L48 E49E41-E45 PolarHBondContact O-N 3.37Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.37Å; E45-L48 PolarHBondContact O-N 3.23Å; E45-E49 PolarHBondContact O-N 3.25Å
46K42.8Very low45.5Very low145 Ų145128.4 Ų128.463%0.6363%0.634SS**Hα-helixtrans-66-32.3178.9-165.9178.5179.4-170.30113.8E50K46-E50 WeakPolarHBondContact O-CB 3.28Å; K46-E50 PolarHBondContact O-N 3.38Å
47I53.5Low45.2Very low108 Ų108128.1 Ų128.155%0.55464%0.638SS**Hα-helixtrans-78.1-28.3178.9-64.7168.5000111.2E43 E45 T51E43-I47 VanDerWaalsContact O-CD1 3.3Å; E43-I47 WeakPolarHBondContact O-CD1 3.3Å; E43-I47 VanDerWaalsContact O-CG1 3.28Å; E43-I47 WeakPolarHBondContact O-CG1 3.5Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.37Å; I47-T51 VanDerWaalsContact O-CG2 3.26Å; I47-T51 WeakPolarHBondContact O-CG2 3.26Å; I47-T51 PolarHBondContact O-N 2.82Å; I47-T51 PolarHBondContact O-OG1 3.37Å; I47-T51 VanDerWaalsContact O-OG1 3.1Å
48L45.6Very low45.1Very low118 Ų118130.8 Ų130.862%0.61865%0.647SS**Hα-helixtrans-72.1-42.2176.5-90.9152.8000111.9K44 E45 T51 E52K44-L48 PolarHBondContact O-N 3.26Å; E45-L48 PolarHBondContact O-N 3.23Å; L48-T51 PolarHBondContact O-N 3.22Å; L48-T51 PolarHBondContact O-OG1 3.23Å; L48-E52 PolarHBondContact O-N 3.26Å
49E48.7Very low44.9Very low149 Ų149131.6 Ų131.670%0.69665%0.651SS**Hα-helixtrans-65-42.5176.9-119.6175.1179.200112.1E45 T51 E52 E53E45-E49 PolarHBondContact O-N 3.25Å; E49-T51 PolarHBondContact O-N 3.24Å; E49-E52 PolarHBondContact O-N 3.31Å; E49-E53 PolarHBondContact O-N 3.37Å
50E45.6Very low45Very low130 Ų130136.2 Ų136.261%0.60767%0.666SS**Hα-helixtrans-70.7-15.4179.7-160.6174-177.300112.9K46K46-E50 WeakPolarHBondContact O-CB 3.28Å; K46-E50 PolarHBondContact O-N 3.38Å
51T45.7Very low44.4Very low76 Ų76141 Ų14147%0.46668%0.684SS.*Hα-helixtrans-92.6-23.1174.153.10000114.2I47 L48 E49I47-T51 VanDerWaalsContact O-CG2 3.26Å; I47-T51 WeakPolarHBondContact O-CG2 3.26Å; I47-T51 PolarHBondContact O-N 2.82Å; I47-T51 PolarHBondContact O-OG1 3.37Å; I47-T51 VanDerWaalsContact O-OG1 3.1Å; L48-T51 PolarHBondContact O-N 3.22Å; L48-T51 PolarHBondContact O-OG1 3.23Å; E49-T51 PolarHBondContact O-N 3.24Å
52E47.8Very low43.6Very low140 Ų140142.6 Ų142.665%0.65470%0.697SS**Hα-helixtrans-80.8-40.6177.4-134.4168.6-174.500110.4L48 E49 K54 L55L48-E52 PolarHBondContact O-N 3.26Å; E49-E52 PolarHBondContact O-N 3.31Å; E52-K54 PolarHBondContact O-N 3.1Å; E52-L55 PolarHBondContact O-N 3.23Å
53E43.4Very low43.3Very low145 Ų145147.2 Ų147.268%0.67871%0.71SS**THydrogen-bonded Turntrans-63.9-25.5175.6-164.6175.2-166.300112.5E49E49-E53 PolarHBondContact O-N 3.37Å
54K42.9Very low42.7Very low164 Ų164149.1 Ų149.171%0.71372%0.719SS**THydrogen-bonded Turntrans-87.1-6.5-178.5-153.3170.2-174.1177.60114.5E52E52-K54 PolarHBondContact O-N 3.1Å
55L39.9Very low41.7Very low143 Ų143151.8 Ų151.875%0.74973%0.734SS**THydrogen-bonded Turntrans-100.2-11.2177.5-78.3166.8000112.9E52E52-L55 PolarHBondContact O-N 3.23Å
56E43Very low40.8Very low166 Ų166153.9 Ų153.978%0.77674%0.744SS**SBendtrans-89.9-15176.3-67.3-173.2163.900113.2
57D35.2Very low40.4Very low142 Ų142155.6 Ų155.676%0.75975%0.754SS**THydrogen-bonded Turntrans-88.3-0.6-175.8-83.1-15.2000115.3
58E41.3Very low39.3Very low179 Ų179158.2 Ų158.284%0.83676%0.764SS**THydrogen-bonded Turntrans-109.28.7-177-73.9-162173.400115.6
59E40.3Very low38.6Very low183 Ų183162.5 Ų162.586%0.85578%0.777SS**SBendtrans-124.455.1175-67.1-162.4-177.100113.1
60E47.8Very low37.8Very low187 Ų187162.7 Ų162.787%0.87478%0.783SS**  trans-135.8150.3155.1-79.7-148.4177.800111
61E34.3Very low37Very low177 Ų177160 Ų16083%0.82779%0.791SS**  trans89.691-176.6-56.7-167178.600116.6
62D29.9Very low36.2Very low174 Ų174165.2 Ų165.293%0.9381%0.807SS**  -154.4102.9119.9-94.2-24.6000108.9
63D33.8Very low35.3Very low142 Ų142165.8 Ų165.876%0.75981%0.814SS**  trans-89.6150.8-178.3-97.3-32000112.9
64E34.8Very low34.9Very low174 Ų174167.2 Ų167.281%0.81382%0.821SS**  trans69.7116.9145-67.7179.2-173.800121.4
65E29.6Very low34.4Very low195 Ų195168.3 Ų168.391%0.91183%0.829SS**  -169.898.2110.1-100-178.7-168.300109.9
66E31.8Very low34Very low194 Ų194170.3 Ų170.391%0.90783%0.834SS**PPolyproline II helixtrans-96.2118.1162.6-82.4-87.2174.200107.6
67E33.4Very low33.3Very low181 Ų181170 Ų17085%0.84684%0.838SS**PPolyproline II helixtrans-91.8120166.1-85.9-144.2166.700110.9
68E30.8Very low33Very low163 Ų163166.8 Ų166.876%0.76284%0.839SS**PPolyproline II helixtrans-50141.5166.7-68.7-169.915200113.6
69K31Very low32.6Very low208 Ų208167.2 Ų167.290%0.90484%0.841SS**  trans-136.3106.6138.8-85.1-167.4178164.50112.1
70D30.5Very low32.4Very low153 Ų153164.4 Ų164.482%0.81884%0.836SS**  trans-46145.9160.1-90-34000114.2
71G30.1Very low31.6Very low74 Ų74162.4 Ų162.476%0.76383%0.831SS**  trans-171.136.9178.900000118.9
72K28.4Very low31.6Very low185 Ų185161.1 Ų161.180%0.80484%0.836SS**  trans66.6116.7139.4-144.3178.3-174.8-1700120.1
73D29.4Very low32.3Very low152 Ų152162.6 Ų162.681%0.81383%0.834SS**  trans-56.4136.6158.5-58.2-56.5000112.3
74E34.5Very low32.8Very low175 Ų175164.6 Ų164.682%0.81884%0.836SS**  trans-136.3111.5144.8-71.9-162.2174.400108.9
75E33.2Very low32.9Very low187 Ų187163.6 Ų163.687%0.87484%0.836SS**  trans-67.7130.8156-71.5-171.8153.300108.7
76E30.7Very low33.3Very low185 Ų185162.3 Ų162.386%0.86484%0.835SS**  trans-153.1105148.3-130-176-170.300110.6
77D29.3Very low33.4Very low159 Ų159156.4 Ų156.485%0.8583%0.826SS**  trans10.7130.7142.9-51.9-29.4000119.7
78G29.1Very low33.3Very low76 Ų76155.8 Ų155.878%0.78483%0.828SS**  trans-17258.1169.700000114.1T80G78-T80 PolarHBondContact O-N 3.19Å
79E32.8Very low33.2Very low188 Ų188159.2 Ų159.288%0.87983%0.834SS**  trans-50.6131.9160.2-72.5-179.1136.500110.1
80T34.3Very low33.3Very low123 Ų123158.3 Ų158.376%0.75583%0.833SS**  trans-177.2127.4130.929.50000112.6G78G78-T80 PolarHBondContact O-N 3.19Å
81N32.9Very low33.7Very low145 Ų145156.4 Ų156.478%0.77583%0.832SS**  trans73.981.1144.1-61.7-32.3000120.8
82T34.1Very low33.9Very low151 Ų151162.6 Ų162.693%0.92684%0.84SS**  trans-138.559143.952.90000111.5
83K43Very low34.2Very low204 Ų204158.2 Ų158.289%0.88784%0.839SS**  trans-118.781.4168.3-153.5168.5-168.2161.80109.3
84K45.4Very low34.5Very low184 Ų184156.4 Ų156.480%0.885%0.845SS**  trans170.992.8171.2-93.1159-166.71790102.3
85D36.8Very low34.7Very low154 Ų154152.1 Ų152.182%0.82484%0.839SS**SBend-176.967.798.4-76.1-29.7000110.6
86L37.7Very low35.4Very low167 Ų167151 Ų15187%0.87484%0.84SS**  trans-139.682.6169.1-89.4164.2000108.9
87G34.2Very low35.9Very low71 Ų71149.8 Ų149.873%0.73284%0.838SS**  trans-179.563.717900000112.1
88L31Very low36.6Very low167 Ų167151.2 Ų151.287%0.87484%0.837SS**SBendtrans-160.558.9170.3-153.779.2000113
89W29.3Very low37.6Very low235 Ų235153.2 Ų153.289%0.8984%0.836SS**SBendtrans-157.74.7166.440.5-51.3000114.9
90E33.2Very low38.5Very low190 Ų190152 Ų15289%0.88884%0.835SS**  trans-103.678.9168.9-68.7-172.9157.200110.1
91S38.7Very low39.8Very low113 Ų113153.9 Ų153.979%0.7984%0.839SS**  trans-170.270.3162.8-75.60000111.7
92E33.9Very low41.2Very low203 Ų203150.6 Ų150.695%0.94983%0.826SS**SBendtrans-162.9138.3142.2-120160.6160.700113.1
93A35.1Very low42.6Very low94 Ų94147.6 Ų147.678%0.77780%0.804SS**  trans76.369168.800000118.1A95A93-A95 PolarHBondContact O-N 3.43Å
94A35.9Very low44Very low113 Ų113142 Ų14293%0.93479%0.789SS**  trans-70109.9137.500000109
95A38.1Very low45.1Very low85 Ų85139.1 Ų139.170%0.70278%0.778SS**  trans-150.795.716200000109.9A93 L97A93-A95 PolarHBondContact O-N 3.43Å; A95-L97 PolarHBondContact O-N 3.02Å
96D48.4Very low46.9Very low165 Ų165137.6 Ų137.688%0.88276%0.764SS**  trans42.270.8140.8-142.413000118
97L40.3Very low48.6Very low159 Ų159134.2 Ų134.283%0.83275%0.747SS**  trans-138.3119.5154.5-73.8174.2000109.1A95A95-L97 PolarHBondContact O-N 3.02Å
98K45.2Very low50.5Low188 Ų188139.7 Ų139.782%0.81775%0.746SS**  trans-28.7128.9167.4-170.9161-178.2171.80111.2L100K98-L100 PolarHBondContact O-N 3.41Å
99P48.5Very low52.5Low118 Ų118139.9 Ų139.977%0.76674%0.735SS**  trans-57111.3-177.321.6-30.8000108.3L101P99-L101 PolarHBondContact O-N 2.98Å
100L52.4Low54.3Low164 Ų164130.9 Ų130.986%0.85971%0.707SS**  trans-61114.2174.2-73.8165.7000105.3K98 P102K98-L100 PolarHBondContact O-N 3.41Å; L100-P102 VanDerWaalsContact O-N 3.16Å
101L61Low56Low162 Ų162125.6 Ų125.685%0.84869%0.691SS**  trans-48.3126173.2-70.2166.5000107.3P99 D103P99-L101 PolarHBondContact O-N 2.98Å; L101-D103 PolarHBondContact O-N 2.9Å
102P62.5Low57.3Low75 Ų75124.7 Ų124.749%0.48768%0.677SS.*  trans-54.2130.8-179.119.2-29.6000108.5L100 F106L100-P102 VanDerWaalsContact O-N 3.16Å; P102-F106 HydrophobicContact CB-CD1 4.38Å
103D64.3Low58.8Low88 Ų88121.5 Ų121.547%0.47167%0.665SS.*  trans-44.4126-176-178.8-9.2000109.3L101 Q105 F106 N107L101-D103 PolarHBondContact O-N 2.9Å; D103-Q105 PolarHBondContact O-N 3.31Å; D103-Q105 PolarHBondContact OD1-N 3.35Å; D103-F106 HydrophobicContact CB-CB 4.09Å; D103-F106 WeakPolarHBondContact O-CA 3.38Å; D103-F106 WeakPolarHBondContact O-CB 3.35Å; D103-F106 PolarHBondContact O-N 3.37Å; D103-N107 PolarHBondContact O-N 2.94Å
104P72.1Confident60Low87 Ų87124.3 Ų124.357%0.56567%0.666SS**Hα-helixtrans-49.5-28.2175.9-28.334.1000113.1R108P104-R108 WeakPolarHBondContact O-CB 3.41Å; P104-R108 WeakPolarHBondContact O-CG 3.4Å; P104-R108 PolarHBondContact O-N 3.38Å
105Q69.3Low61.4Low123 Ų123120.8 Ų120.858%0.57564%0.635SS**Hα-helixtrans-71.6-40.4173.4-59.8-165.33.900113.1D103 R108 R109D103-Q105 PolarHBondContact O-N 3.31Å; D103-Q105 PolarHBondContact OD1-N 3.35Å; Q105-R108 PolarHBondContact O-N 3.41Å; Q105-R109 WeakPolarHBondContact O-CG 3.38Å; Q105-R109 PolarHBondContact O-N 2.91Å
106F73.6Confident62.2Low123 Ų123121.9 Ų121.954%0.53963%0.629SS.*Hα-helixtrans-64.1-44.3174.6-179.6-100.8000110.8P102 D103 R108 R109 C110P102-F106 HydrophobicContact CB-CD1 4.38Å; D103-F106 HydrophobicContact CB-CB 4.09Å; D103-F106 WeakPolarHBondContact O-CA 3.38Å; D103-F106 WeakPolarHBondContact O-CB 3.35Å; D103-F106 PolarHBondContact O-N 3.37Å; F106-R108 VanDerWaalsContact C-N 3.31Å; F106-R108 PolarHBondContact O-N 2.98Å; F106-R109 WeakPolarHBondContact O-CB 3.26Å; F106-R109 PolarHBondContact O-N 3.16Å; F106-R109 VanDerWaalsContact O-N 3.12Å; F106-C110 VanDerWaalsContact CE1-SG 3.55Å; F106-C110 VanDerWaalsContact CZ-SG 3.53Å; F106-C110 PolarHBondContact O-N 3.08Å; F106-C110 PolarHBondContact O-SG 3.45Å; F106-C110 VanDerWaalsContact O-SG 3.39Å
107N74.2Confident63Low95 Ų95119.5 Ų119.551%0.50862%0.62SS.*Hα-helixtrans-65.9-35.4179-139.3-5.7000112D103 S111D103-N107 PolarHBondContact O-N 2.94Å; N107-S111 VanDerWaalsContact O-CB 3.3Å; N107-S111 WeakPolarHBondContact O-CB 3.38Å; N107-S111 PolarHBondContact O-N 3.14Å
108R73.4Confident63.9Low187 Ų187116.3 Ų116.371%0.70660%0.6SS**Hα-helixtrans-64.5-42.3170.3-77.1172.3-171.4-160.82.7112.5P104 Q105 F106 S111 L112P104-R108 WeakPolarHBondContact O-CB 3.41Å; P104-R108 WeakPolarHBondContact O-CG 3.4Å; P104-R108 PolarHBondContact O-N 3.38Å; Q105-R108 PolarHBondContact O-N 3.41Å; F106-R108 VanDerWaalsContact C-N 3.31Å; F106-R108 PolarHBondContact O-N 2.98Å; R108-S111 PolarHBondContact O-N 3.03Å; R108-L112 WeakPolarHBondContact O-CB 3.44Å; R108-L112 PolarHBondContact O-N 3.33Å
109R73.3Confident64.5Low170 Ų170116.2 Ų116.264%0.64260%0.596SS**Hα-helixtrans-63.9-46.3176.7-74.1174.9-179.3-159.81111.6Q105 F106 S111 L112 I113Q105-R109 WeakPolarHBondContact O-CG 3.38Å; Q105-R109 PolarHBondContact O-N 2.91Å; F106-R109 WeakPolarHBondContact O-CB 3.26Å; F106-R109 PolarHBondContact O-N 3.16Å; F106-R109 VanDerWaalsContact O-N 3.12Å; R109-S111 VanDerWaalsContact C-N 3.34Å; R109-S111 PolarHBondContact O-N 3.26Å; R109-L112 WeakPolarHBondContact O-CB 3.29Å; R109-L112 PolarHBondContact O-N 2.93Å; R109-L112 VanDerWaalsContact O-N 3.15Å; R109-I113 WeakPolarHBondContact O-CD1 3.19Å; R109-I113 VanDerWaalsContact O-CG1 3.26Å; R109-I113 WeakPolarHBondContact O-CG1 3.3Å; R109-I113 PolarHBondContact O-N 3.33Å
110C67.3Low65.3Low46 Ų46115.6 Ų115.631%0.31158%0.582SS.*Hα-helixtrans-61.6-42175-66.80000111.5F106 L112 I113 L114F106-C110 VanDerWaalsContact CE1-SG 3.55Å; F106-C110 VanDerWaalsContact CZ-SG 3.53Å; F106-C110 PolarHBondContact O-N 3.08Å; F106-C110 PolarHBondContact O-SG 3.45Å; F106-C110 VanDerWaalsContact O-SG 3.39Å; C110-L112 VanDerWaalsContact C-N 3.29Å; C110-L112 PolarHBondContact O-N 3.49Å; C110-I113 PolarHBondContact O-N 2.99Å; C110-L114 WeakPolarHBondContact O-CB 3.31Å; C110-L114 PolarHBondContact O-N 3.41Å
111S67.8Low66.3Low80 Ų80111 Ų11156%0.55956%0.556SS**Hα-helixtrans-64.3-31.4174.4-176.60000113.3N107 R108 R109 S115N107-S111 VanDerWaalsContact O-CB 3.3Å; N107-S111 WeakPolarHBondContact O-CB 3.38Å; N107-S111 PolarHBondContact O-N 3.14Å; R108-S111 PolarHBondContact O-N 3.03Å; R109-S111 VanDerWaalsContact C-N 3.34Å; R109-S111 PolarHBondContact O-N 3.26Å; S111-S115 WeakPolarHBondContact O-CB 3.4Å; S111-S115 PolarHBondContact O-N 2.76Å; S111-S115 VanDerWaalsContact O-N 3.16Å
112L66.7Low66.3Low93 Ų93108 Ų10849%0.48754%0.541SS..Hα-helixtrans-70.6-43.8176.3-137.3110.8000110.7R108 R109 C110 L114 S115 H118R108-L112 WeakPolarHBondContact O-CB 3.44Å; R108-L112 PolarHBondContact O-N 3.33Å; R109-L112 WeakPolarHBondContact O-CB 3.29Å; R109-L112 PolarHBondContact O-N 2.93Å; R109-L112 VanDerWaalsContact O-N 3.15Å; C110-L112 VanDerWaalsContact C-N 3.29Å; C110-L112 PolarHBondContact O-N 3.49Å; L112-L114 VanDerWaalsContact C-N 3.33Å; L112-L114 PolarHBondContact O-N 3.15Å; L112-S115 PolarHBondContact O-N 3.39Å; L112-S115 PolarHBondContact O-OG 3.08Å; L112-H118 WeakPolarHBondContact CD2-NE2 3.27Å
113I64.9Low66.2Low137 Ų137110.7 Ų110.770%0.70355%0.545SS*.Hα-helixtrans-66.8-34.8178-64.1162.7000111.2R109 C110 S115R109-I113 WeakPolarHBondContact O-CD1 3.19Å; R109-I113 VanDerWaalsContact O-CG1 3.26Å; R109-I113 WeakPolarHBondContact O-CG1 3.3Å; R109-I113 PolarHBondContact O-N 3.33Å; C110-I113 PolarHBondContact O-N 2.99Å; I113-S115 VanDerWaalsContact C-N 3.33Å
114L60.2Low66.4Low153 Ų153112.9 Ų112.980%0.80155%0.552SS**THydrogen-bonded Turntrans-85.6-3.2178-135.975.7000113.6C110 L112 D116C110-L114 WeakPolarHBondContact O-CB 3.31Å; C110-L114 PolarHBondContact O-N 3.41Å; L112-L114 VanDerWaalsContact C-N 3.33Å; L112-L114 PolarHBondContact O-N 3.15Å; L114-D116 PolarHBondContact O-N 3.47Å
115S65.2Low66.2Low38 Ų38114.5 Ų114.527%0.26655%0.55SS.*  trans-79.5117.7178.971.90000110.3S111 L112 I113 V117 H118 Y119S111-S115 WeakPolarHBondContact O-CB 3.4Å; S111-S115 PolarHBondContact O-N 2.76Å; S111-S115 VanDerWaalsContact O-N 3.16Å; L112-S115 PolarHBondContact O-N 3.39Å; L112-S115 PolarHBondContact O-OG 3.08Å; I113-S115 VanDerWaalsContact C-N 3.33Å; S115-V117 PolarHBondContact O-N 2.86Å; S115-H118 PolarHBondContact O-N 3.45Å; S115-H118 VanDerWaalsContact O-N 3.08Å; S115-Y119 PolarHBondContact O-N 3.47Å
116D56.4Low65.8Low109 Ų109114 Ų11458%0.58355%0.549SS*.Hα-helixtrans-54-24.8176.4-88-1.7000113.3L114 K120L114-D116 PolarHBondContact O-N 3.47Å; D116-K120 WeakPolarHBondContact O-CB 3.5Å; D116-K120 WeakPolarHBondContact O-CG 3.43Å; D116-K120 PolarHBondContact O-N 3.33Å
117V64.2Low65Low114 Ų114116 Ų11669%0.69156%0.558SS**Hα-helixtrans-64.6-46.6178179.60000110.8S115 K120 E121S115-V117 PolarHBondContact O-N 2.86Å; V117-K120 PolarHBondContact O-N 2.91Å; V117-E121 VanDerWaalsContact O-CB 3.27Å; V117-E121 WeakPolarHBondContact O-CB 3.47Å; V117-E121 PolarHBondContact O-N 3.47Å
118H60.2Low64Low92 Ų92114.9 Ų114.943%0.42657%0.569SS.*Hα-helixtrans-72.2-34.6179-119.930.5000112.1L112 S115 K120 E121L112-H118 WeakPolarHBondContact CD2-NE2 3.27Å; S115-H118 PolarHBondContact O-N 3.45Å; S115-H118 VanDerWaalsContact O-N 3.08Å; H118-K120 VanDerWaalsContact C-N 3.35Å; H118-E121 IonicContact CE1-OE2 2.72Å; H118-E121 PolarHBondContact CE1-OE2 2.87Å; H118-E121 IonicContact CG-OE2 2.58Å; H118-E121 IonicContact ND1-OE2 2.76Å; H118-E121 PolarHBondContact ND1-OE2 3.5Å; H118-E121 PolarHBondContact O-N 3.42Å
119Y57.8Low62.8Low186 Ų186112.9 Ų112.973%0.72957%0.567SS**Hα-helixtrans-65-38.5175.6179.4-101000112.3S115S115-Y119 PolarHBondContact O-N 3.47Å
120K65.1Low61.3Low106 Ų106110 Ų11046%0.46157%0.573SS.*Hα-helixtrans-85.3-19.3178.3-70.1177-178.4172.50113.5D116 V117 H118 D122 F123 E124D116-K120 WeakPolarHBondContact O-CB 3.5Å; D116-K120 WeakPolarHBondContact O-CG 3.43Å; D116-K120 PolarHBondContact O-N 3.33Å; V117-K120 PolarHBondContact O-N 2.91Å; H118-K120 VanDerWaalsContact C-N 3.35Å; K120-D122 VanDerWaalsContact C-N 3.33Å; K120-D122 PolarHBondContact O-N 3.42Å; K120-F123 CarbonylContact O-C 3.59Å; K120-F123 WeakPolarHBondContact O-CB 3.4Å; K120-F123 PolarHBondContact O-N 2.87Å; K120-E124 WeakPolarHBondContact O-CB 3.43Å; K120-E124 WeakPolarHBondContact O-CG 3.21Å; K120-E124 PolarHBondContact O-N 2.78Å
121E72.4Confident60.4Low67 Ų67114.3 Ų114.331%0.31359%0.592SS.*Hα-helixtrans-60-42.5178.4-171.2-180166.700111.8V117 H118 E124 K125V117-E121 VanDerWaalsContact O-CB 3.27Å; V117-E121 WeakPolarHBondContact O-CB 3.47Å; V117-E121 PolarHBondContact O-N 3.47Å; H118-E121 IonicContact CE1-OE2 2.72Å; H118-E121 PolarHBondContact CE1-OE2 2.87Å; H118-E121 IonicContact CG-OE2 2.58Å; H118-E121 IonicContact ND1-OE2 2.76Å; H118-E121 PolarHBondContact ND1-OE2 3.5Å; H118-E121 PolarHBondContact O-N 3.42Å; E121-E124 PolarHBondContact O-N 3.19Å; E121-K125 HydrophobicContact CG-CD 4.27Å; E121-K125 VanDerWaalsContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CB 3.41Å; E121-K125 WeakPolarHBondContact O-CG 3.33Å; E121-K125 PolarHBondContact O-N 3.33Å; E121-K125 VanDerWaalsContact OE1-CE 3.32Å; E121-K125 WeakPolarHBondContact OE1-CE 3.27Å; E121-K125 IonicContact OE1-NZ 2.78Å; E121-K125 PolarHBondContact OE1-NZ 3Å
122D61.1Low59.3Low100 Ų100117.2 Ų117.254%0.53560%0.595SS.*Hα-helixtrans-70.7-34.3176.9-71.1-18.4000112.1K120 M126K120-D122 VanDerWaalsContact C-N 3.33Å; K120-D122 PolarHBondContact O-N 3.42Å; D122-M126 WeakPolarHBondContact O-CB 3.42Å; D122-M126 PolarHBondContact O-N 3.37Å
123F61.8Low58.6Low130 Ų130117.5 Ų117.557%0.5760%0.601SS**Hα-helixtrans-67.3-43.3173.5179.4-98.9000111.9K120 M126 K127K120-F123 CarbonylContact O-C 3.59Å; K120-F123 WeakPolarHBondContact O-CB 3.4Å; K120-F123 PolarHBondContact O-N 2.87Å; F123-M126 PolarHBondContact O-N 2.94Å; F123-K127 HydrophobicContact CE1-CD 4.33Å; F123-K127 WeakPolarHBondContact O-CB 3.38Å; F123-K127 PolarHBondContact O-N 3.29Å
124E67.3Low58.1Low135 Ų135113.3 Ų113.363%0.63158%0.582SS**Hα-helixtrans-69.5-36.5176.8-72.6-171.1175.200112K120 E121 M126 K127 G128K120-E124 WeakPolarHBondContact O-CB 3.43Å; K120-E124 WeakPolarHBondContact O-CG 3.21Å; K120-E124 PolarHBondContact O-N 2.78Å; E121-E124 PolarHBondContact O-N 3.19Å; E124-M126 VanDerWaalsContact C-N 3.34Å; E124-M126 PolarHBondContact O-N 2.88Å; E124-K127 PolarHBondContact O-N 3.22Å; E124-G128 PolarHBondContact O-N 3.33Å
125K68.3Low58.1Low120 Ų120108 Ų10852%0.52257%0.565SS.*Hα-helixtrans-62-39.5170.7-77.8170.3-174.81640112.1E121E121-K125 HydrophobicContact CG-CD 4.27Å; E121-K125 VanDerWaalsContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CB 3.41Å; E121-K125 WeakPolarHBondContact O-CG 3.33Å; E121-K125 PolarHBondContact O-N 3.33Å; E121-K125 VanDerWaalsContact OE1-CE 3.32Å; E121-K125 WeakPolarHBondContact OE1-CE 3.27Å; E121-K125 IonicContact OE1-NZ 2.78Å; E121-K125 PolarHBondContact OE1-NZ 3Å
126M60.1Low58.3Low112 Ų112110.2 Ų110.255%0.55259%0.585SS**Hα-helixtrans-74.8-29.8175.2-80.5-166.6-76.800113.2D122 F123 E124 G128 Q129D122-M126 WeakPolarHBondContact O-CB 3.42Å; D122-M126 PolarHBondContact O-N 3.37Å; F123-M126 PolarHBondContact O-N 2.94Å; E124-M126 VanDerWaalsContact C-N 3.34Å; E124-M126 PolarHBondContact O-N 2.88Å; M126-G128 VanDerWaalsContact C-N 3.26Å; M126-G128 PolarHBondContact O-N 2.84Å; M126-Q129 PolarHBondContact O-N 3.3Å
127K58.2Low58.7Low166 Ų166112.9 Ų112.972%0.72259%0.594SS**Hα-helixtrans-66.2-27.3179.2-159.6178.2-177.7-174.80113F123 E124F123-K127 HydrophobicContact CE1-CD 4.33Å; F123-K127 WeakPolarHBondContact O-CB 3.38Å; F123-K127 PolarHBondContact O-N 3.29Å; E124-K127 PolarHBondContact O-N 3.22Å
128G51.4Low59.3Low71 Ų71111.6 Ų111.673%0.73258%0.583SS**THydrogen-bonded Turntrans-88.5-14.2175.400000114.9E124 M126E124-G128 PolarHBondContact O-N 3.33Å; M126-G128 VanDerWaalsContact C-N 3.26Å; M126-G128 PolarHBondContact O-N 2.84Å
129Q49.7Very low60Low146 Ų146110.9 Ų110.968%0.68258%0.582SS**SBendtrans-95.597.2170.7-82.8179.2-8.300108.2M126 L131M126-Q129 PolarHBondContact O-N 3.3Å; Q129-L131 PolarHBondContact O-N 3.12Å
130S41.9Very low60.6Low108 Ų108107.7 Ų107.776%0.75557%0.573SS**  trans-44105.8162.6168.60000108.9F132S130-F132 PolarHBondContact O-N 2.85Å
131L47.9Very low61.1Low137 Ų137105.4 Ų105.472%0.71757%0.571SS**  trans-7166.3164.5-94.8146.8000106.9Q129 V133Q129-L131 PolarHBondContact O-N 3.12Å; L131-V133 HydrophobicContact CB-CG2 4.44Å; L131-V133 HydrophobicContact CD2-CG2 3.63Å; L131-V133 PolarHBondContact O-N 3.03Å
132F45.1Very low61.3Low141 Ų141109.1 Ų109.162%0.61858%0.582SS**  trans-68.278.9152-173.1-97.5000106S130 P134 L138S130-F132 PolarHBondContact O-N 2.85Å; F132-P134 HydrophobicContact CD1-CB 4.31Å; F132-P134 HydrophobicContact CD1-CG 3.93Å; F132-P134 HydrophobicContact CE1-CB 3.8Å; F132-P134 HydrophobicContact CE1-CG 3.85Å; F132-P134 WeakPolarHBondContact O-CD 3.42Å; F132-L138 HydrophobicContact CE1-CD2 4.09Å; F132-L138 HydrophobicContact CZ-CD2 4.02Å
133V52.5Low62.1Low100 Ų100108.7 Ų108.761%0.60658%0.58SS**  trans-67.8107.7158.1179.80000103.3L131 G135L131-V133 HydrophobicContact CB-CG2 4.44Å; L131-V133 HydrophobicContact CD2-CG2 3.63Å; L131-V133 PolarHBondContact O-N 3.03Å; V133-G135 PolarHBondContact O-N 3.46Å
134P53.8Low62.8Low48 Ų48105.8 Ų105.831%0.31257%0.569SS.*  trans-57.3120.3176.7-16.130.6000105.6F132 L138 I139F132-P134 HydrophobicContact CD1-CB 4.31Å; F132-P134 HydrophobicContact CD1-CG 3.93Å; F132-P134 HydrophobicContact CE1-CB 3.8Å; F132-P134 HydrophobicContact CE1-CG 3.85Å; F132-P134 WeakPolarHBondContact O-CD 3.42Å; P134-L138 HydrophobicContact CB-CB 4.19Å; P134-L138 HydrophobicContact CB-CD2 3.85Å; P134-I139 HydrophobicContact CB-CD1 4.47Å; P134-I139 HydrophobicContact CB-CG1 3.92Å; P134-I139 VanDerWaalsContact O-CD1 3.3Å; P134-I139 WeakPolarHBondContact O-CD1 3.47Å; P134-I139 WeakPolarHBondContact O-CG1 3.39Å
135G60Low63Low43 Ų43103 Ų10344%0.44357%0.565SS.*  trans-48.8148.8-177.600000110.1V133 E137 L138 I139V133-G135 PolarHBondContact O-N 3.46Å; G135-E137 CarbonylContact O-C 3.53Å; G135-E137 PolarHBondContact O-N 3.44Å; G135-L138 WeakPolarHBondContact O-CA 3.17Å; G135-L138 WeakPolarHBondContact O-CB 3.46Å; G135-L138 PolarHBondContact O-N 2.9Å; G135-I139 PolarHBondContact O-N 2.92Å; G135-I139 VanDerWaalsContact O-N 3.09Å
136A68.9Low63.2Low84 Ų8499.2 Ų99.269%0.69456%0.556SS**Hα-helixtrans-49.3-32.2-177.800000112.1I139 H140A136-I139 PolarHBondContact O-N 2.85Å; A136-H140 WeakPolarHBondContact O-CB 3.49Å; A136-H140 PolarHBondContact O-N 2.92Å
137E66.1Low63.8Low165 Ų16599.7 Ų99.777%0.77156%0.564SS**Hα-helixtrans-66.6-38.7173.4-58-172.3175.700114.4G135 H140 S141G135-E137 CarbonylContact O-C 3.53Å; G135-E137 PolarHBondContact O-N 3.44Å; E137-H140 PolarHBondContact O-N 3.47Å; E137-S141 VanDerWaalsContact O-CB 3.3Å; E137-S141 WeakPolarHBondContact O-CB 3.33Å; E137-S141 PolarHBondContact O-N 3.44Å; E137-S141 PolarHBondContact O-OG 2.95Å
138L75Confident64.5Low87 Ų8797.9 Ų97.946%0.45556%0.561SS.*Hα-helixtrans-71.2-35.5176.3-149.1104.5000111.3F132 P134 G135 S141 R142F132-L138 HydrophobicContact CE1-CD2 4.09Å; F132-L138 HydrophobicContact CZ-CD2 4.02Å; P134-L138 HydrophobicContact CB-CB 4.19Å; P134-L138 HydrophobicContact CB-CD2 3.85Å; G135-L138 WeakPolarHBondContact O-CA 3.17Å; G135-L138 WeakPolarHBondContact O-CB 3.46Å; G135-L138 PolarHBondContact O-N 2.9Å; L138-S141 WeakPolarHBondContact CA-OG 3.47Å; L138-S141 PolarHBondContact O-OG 3.3Å; L138-S141 VanDerWaalsContact O-OG 3.1Å; L138-R142 WeakPolarHBondContact O-CB 3.26Å; L138-R142 PolarHBondContact O-N 3.01Å; L138-R142 VanDerWaalsContact O-N 3.09Å
139I76Confident65.5Low77 Ų7796 Ų9640%0.39554%0.537SS..Hα-helixtrans-67.7-45.5172.4-60.3177.8000109.6P134 G135 A136 R142 N143P134-I139 HydrophobicContact CB-CD1 4.47Å; P134-I139 HydrophobicContact CB-CG1 3.92Å; P134-I139 VanDerWaalsContact O-CD1 3.3Å; P134-I139 WeakPolarHBondContact O-CD1 3.47Å; P134-I139 WeakPolarHBondContact O-CG1 3.39Å; G135-I139 PolarHBondContact O-N 2.92Å; G135-I139 VanDerWaalsContact O-N 3.09Å; A136-I139 PolarHBondContact O-N 2.85Å; I139-R142 PolarHBondContact O-N 3.05Å; I139-N143 WeakPolarHBondContact O-CB 3.42Å; I139-N143 PolarHBondContact O-N 3.22Å; I139-N143 PolarHBondContact O-ND2 2.97Å
140H69.3Low66.3Low119 Ų11994.8 Ų94.855%0.55153%0.531SS*.Hα-helixtrans-63.6-48.7-180-172.958000112A136 E137 R142 N143 I144A136-H140 WeakPolarHBondContact O-CB 3.49Å; A136-H140 PolarHBondContact O-N 2.92Å; E137-H140 PolarHBondContact O-N 3.47Å; H140-R142 VanDerWaalsContact C-N 3.32Å; H140-R142 PolarHBondContact O-N 3.05Å; H140-N143 PolarHBondContact O-N 3.12Å; H140-I144 VanDerWaalsContact CD2-CD1 3.45Å; H140-I144 WeakPolarHBondContact CD2-CD1 3.25Å; H140-I144 WeakPolarHBondContact NE2-CD1 3.42Å; H140-I144 WeakPolarHBondContact O-CB 3.32Å; H140-I144 VanDerWaalsContact O-CG1 3.27Å; H140-I144 WeakPolarHBondContact O-CG1 3.13Å; H140-I144 PolarHBondContact O-N 2.81Å
141S76.3Confident67.7Low58 Ų5894.5 Ų94.541%0.40653%0.526SS..Hα-helixtrans-62.6-37176.357.30000112.6E137 L138 S145E137-S141 VanDerWaalsContact O-CB 3.3Å; E137-S141 WeakPolarHBondContact O-CB 3.33Å; E137-S141 PolarHBondContact O-N 3.44Å; E137-S141 PolarHBondContact O-OG 2.95Å; L138-S141 WeakPolarHBondContact CA-OG 3.47Å; L138-S141 PolarHBondContact O-OG 3.3Å; L138-S141 VanDerWaalsContact O-OG 3.1Å; S141-S145 VanDerWaalsContact O-CB 3.27Å; S141-S145 WeakPolarHBondContact O-CB 3.48Å; S141-S145 PolarHBondContact O-N 2.97Å; S141-S145 PolarHBondContact O-OG 2.71Å
142R77.7Confident68.6Low144 Ų14495 Ų9554%0.54352%0.518SS..Hα-helixtrans-67.6-40.3174.3-171.7174-175.5148.7-2.5112.1L138 I139 H140 S145 A146L138-R142 WeakPolarHBondContact O-CB 3.26Å; L138-R142 PolarHBondContact O-N 3.01Å; L138-R142 VanDerWaalsContact O-N 3.09Å; I139-R142 PolarHBondContact O-N 3.05Å; H140-R142 VanDerWaalsContact C-N 3.32Å; H140-R142 PolarHBondContact O-N 3.05Å; R142-S145 PolarHBondContact O-N 3.42Å; R142-A146 WeakPolarHBondContact O-CB 3.29Å; R142-A146 PolarHBondContact O-N 2.82Å
143N77.8Confident69.6Low92 Ų9297.1 Ų97.149%0.49252%0.523SS..Hα-helixtrans-68.5-44176.4-72.5-16.9000111.4I139 H140 S145 A146 V147I139-N143 WeakPolarHBondContact O-CB 3.42Å; I139-N143 PolarHBondContact O-N 3.22Å; I139-N143 PolarHBondContact O-ND2 2.97Å; H140-N143 PolarHBondContact O-N 3.12Å; N143-S145 VanDerWaalsContact C-N 3.35Å; N143-S145 PolarHBondContact O-N 2.97Å; N143-A146 PolarHBondContact O-N 2.91Å; N143-V147 VanDerWaalsContact O-CG2 3.3Å; N143-V147 WeakPolarHBondContact O-CG2 3.48Å; N143-V147 PolarHBondContact O-N 3.37Å
144I76.1Confident70.6Confident69 Ų6997.9 Ų97.935%0.35452%0.518SS..Hα-helixtrans-58.7-48.3173.1-71.5167.5000110.1H140 A146 V147 I148H140-I144 VanDerWaalsContact CD2-CD1 3.45Å; H140-I144 WeakPolarHBondContact CD2-CD1 3.25Å; H140-I144 WeakPolarHBondContact NE2-CD1 3.42Å; H140-I144 WeakPolarHBondContact O-CB 3.32Å; H140-I144 VanDerWaalsContact O-CG1 3.27Å; H140-I144 WeakPolarHBondContact O-CG1 3.13Å; H140-I144 PolarHBondContact O-N 2.81Å; I144-A146 VanDerWaalsContact C-N 3.27Å; I144-A146 PolarHBondContact O-N 2.83Å; I144-V147 PolarHBondContact O-N 2.85Å; I144-I148 HydrophobicContact CG2-CD1 3.4Å; I144-I148 HydrophobicContact CG2-CG1 4.14Å; I144-I148 WeakPolarHBondContact O-CB 3.14Å; I144-I148 VanDerWaalsContact O-CG1 3.3Å; I144-I148 WeakPolarHBondContact O-CG1 3.24Å; I144-I148 PolarHBondContact O-N 3.39Å
145S71.6Confident71.6Confident77 Ų7799.1 Ų99.154%0.53852%0.52SS..Hα-helixtrans-61-37.3177.6-61.20000112S141 R142 N143 S149S141-S145 VanDerWaalsContact O-CB 3.27Å; S141-S145 WeakPolarHBondContact O-CB 3.48Å; S141-S145 PolarHBondContact O-N 2.97Å; S141-S145 PolarHBondContact O-OG 2.71Å; R142-S145 PolarHBondContact O-N 3.42Å; N143-S145 VanDerWaalsContact C-N 3.35Å; N143-S145 PolarHBondContact O-N 2.97Å; S145-S149 WeakPolarHBondContact O-CB 3.27Å; S145-S149 PolarHBondContact O-N 2.88Å; S145-S149 PolarHBondContact O-OG 3.39Å
146A72.3Confident71.6Confident40 Ų40100.8 Ų100.833%0.33153%0.525SS..Hα-helixtrans-68-40.3176.400000112.4R142 N143 I144 S149R142-A146 WeakPolarHBondContact O-CB 3.29Å; R142-A146 PolarHBondContact O-N 2.82Å; N143-A146 PolarHBondContact O-N 2.91Å; I144-A146 VanDerWaalsContact C-N 3.27Å; I144-A146 PolarHBondContact O-N 2.83Å; A146-S149 PolarHBondContact O-OG 3.45Å
147V72.6Confident71.4Confident121 Ų12198.9 Ų98.973%0.73351%0.513SS*.Hα-helixtrans-70.5-39.9178171.80000111.7N143 I144N143-V147 VanDerWaalsContact O-CG2 3.3Å; N143-V147 WeakPolarHBondContact O-CG2 3.48Å; N143-V147 PolarHBondContact O-N 3.37Å; I144-V147 PolarHBondContact O-N 2.85Å
148I72.1Confident71.4Confident128 Ų12899.1 Ų99.166%0.65651%0.507SS*.Hα-helixtrans-81.4-20.4-178.8-63178.5000111.8I144 E150I144-I148 HydrophobicContact CG2-CD1 3.4Å; I144-I148 HydrophobicContact CG2-CG1 4.14Å; I144-I148 WeakPolarHBondContact O-CB 3.14Å; I144-I148 VanDerWaalsContact O-CG1 3.3Å; I144-I148 WeakPolarHBondContact O-CG1 3.24Å; I144-I148 PolarHBondContact O-N 3.39Å; I148-E150 PolarHBondContact O-N 2.97Å
149S72.1Confident71Confident33 Ų33100.6 Ų100.623%0.23151%0.509CS..  trans-62.1109.4-178.763.40000112S145 A146 T151 R152 Y153S145-S149 WeakPolarHBondContact O-CB 3.27Å; S145-S149 PolarHBondContact O-N 2.88Å; S145-S149 PolarHBondContact O-OG 3.39Å; A146-S149 PolarHBondContact O-OG 3.45Å; S149-T151 PolarHBondContact O-N 3.18Å; S149-T151 VanDerWaalsContact O-N 3.13Å; S149-R152 PolarHBondContact O-N 2.69Å; S149-R152 VanDerWaalsContact O-N 3.07Å; S149-R152 VanDerWaalsContact OG-CB 3.29Å; S149-R152 WeakPolarHBondContact OG-CB 3.44Å; S149-R152 WeakPolarHBondContact OG-CG 3.43Å; S149-Y153 PolarHBondContact O-N 2.66Å; S149-Y153 VanDerWaalsContact O-N 3.15Å
150E66.5Low70.2Confident119 Ų11999 Ų9956%0.55651%0.513SS*.Hα-helixtrans-57.2-30.5179.5-168.7-174.9165.200112.2I148 Y153 K154I148-E150 PolarHBondContact O-N 2.97Å; E150-Y153 PolarHBondContact O-N 3.05Å; E150-K154 HydrophobicContact CG-CD 4.16Å; E150-K154 WeakPolarHBondContact O-CB 3.46Å; E150-K154 WeakPolarHBondContact O-CG 3.38Å; E150-K154 PolarHBondContact O-N 2.81Å; E150-K154 WeakPolarHBondContact OE1-CE 3.3Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 3.36Å
151T72.2Confident69.7Low103 Ų10398.2 Ų98.263%0.63252%0.516SS*.Hα-helixtrans-65.1-44.6176.853.40000112.1S149 E155S149-T151 PolarHBondContact O-N 3.18Å; S149-T151 VanDerWaalsContact O-N 3.13Å; T151-E155 VanDerWaalsContact O-CB 3.25Å; T151-E155 WeakPolarHBondContact O-CB 3.41Å; T151-E155 PolarHBondContact O-N 3.3Å
152R67.1Low68.8Low148 Ų14898.9 Ų98.956%0.55852%0.52SS*.Hα-helixtrans-67.8-37.7175.4-69-80.4-143.71659.3111.3S149 E155 S156S149-R152 PolarHBondContact O-N 2.69Å; S149-R152 VanDerWaalsContact O-N 3.07Å; S149-R152 VanDerWaalsContact OG-CB 3.29Å; S149-R152 WeakPolarHBondContact OG-CB 3.44Å; S149-R152 WeakPolarHBondContact OG-CG 3.43Å; R152-E155 PolarHBondContact O-N 2.98Å; R152-S156 VanDerWaalsContact O-CB 3.26Å; R152-S156 WeakPolarHBondContact O-CB 3.17Å; R152-S156 PolarHBondContact O-N 2.71Å; R152-S156 PolarHBondContact O-OG 3.46Å
153Y66.3Low67.7Low185 Ų18597 Ų9773%0.72553%0.528SS*.Hα-helixtrans-63.2-49.2175.7179.8-100.4000111.5S149 E150 E155 S156 G157S149-Y153 PolarHBondContact O-N 2.66Å; S149-Y153 VanDerWaalsContact O-N 3.15Å; E150-Y153 PolarHBondContact O-N 3.05Å; Y153-E155 PolarHBondContact O-N 3.35Å; Y153-S156 PolarHBondContact O-N 3.22Å; Y153-G157 PolarHBondContact O-N 2.66Å
154K73.6Confident66.7Low115 Ų11594.6 Ų94.650%0.552%0.518SS..Hα-helixtrans-64.7-36.8176-74.8175.4169.6170.70112.7E150 R158E150-K154 HydrophobicContact CG-CD 4.16Å; E150-K154 WeakPolarHBondContact O-CB 3.46Å; E150-K154 WeakPolarHBondContact O-CG 3.38Å; E150-K154 PolarHBondContact O-N 2.81Å; E150-K154 WeakPolarHBondContact OE1-CE 3.3Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 3.36Å; K154-R158 WeakPolarHBondContact O-CB 3.42Å; K154-R158 VanDerWaalsContact O-CG 3.31Å; K154-R158 WeakPolarHBondContact O-CG 3.17Å; K154-R158 PolarHBondContact O-N 3.38Å; K154-R158 PolarHBondContact O-NE 2.81Å
155E73.3Confident65.8Low75 Ų7598.6 Ų98.635%0.3554%0.54SS..Hα-helixtrans-68.1-43.8174.8-170.2-173.7165.900112.1T151 R152 Y153 G157 R158 K159T151-E155 VanDerWaalsContact O-CB 3.25Å; T151-E155 WeakPolarHBondContact O-CB 3.41Å; T151-E155 PolarHBondContact O-N 3.3Å; R152-E155 PolarHBondContact O-N 2.98Å; Y153-E155 PolarHBondContact O-N 3.35Å; E155-G157 VanDerWaalsContact C-N 3.35Å; E155-R158 PolarHBondContact O-N 3.39Å; E155-K159 WeakPolarHBondContact O-CG 3.35Å; E155-K159 PolarHBondContact O-N 3.36Å; E155-K159 WeakPolarHBondContact OE1-CE 3.18Å; E155-K159 IonicContact OE1-NZ 2.69Å; E155-K159 PolarHBondContact OE1-NZ 2.81Å
156S61.5Low65.2Low78 Ų78103 Ų10355%0.54555%0.546SS..Hα-helixtrans-65.4-38.9177.5-55.90000111.4R152 Y153 K159 G160R152-S156 VanDerWaalsContact O-CB 3.26Å; R152-S156 WeakPolarHBondContact O-CB 3.17Å; R152-S156 PolarHBondContact O-N 2.71Å; R152-S156 PolarHBondContact O-OG 3.46Å; Y153-S156 PolarHBondContact O-N 3.22Å; S156-K159 PolarHBondContact O-N 2.87Å; S156-G160 PolarHBondContact O-N 2.92Å
157G64.4Low64.6Low43 Ų43103.9 Ų103.944%0.44355%0.55SS..Hα-helixtrans-61.7-43.6171.400000112.8Y153 E155 K159 G160 V161Y153-G157 PolarHBondContact O-N 2.66Å; E155-G157 VanDerWaalsContact C-N 3.35Å; G157-K159 PolarHBondContact O-N 2.99Å; G157-G160 PolarHBondContact O-N 2.74Å; G157-V161 WeakPolarHBondContact O-CG2 3.24Å; G157-V161 PolarHBondContact O-N 3.48Å
158R64.8Low64.1Low171 Ų171104.5 Ų104.565%0.64555%0.548SS*.Hα-helixtrans-63.4-40.5175.7-76.8-178.7-70.3-1693.5112.8K154 E155 V161 S162K154-R158 WeakPolarHBondContact O-CB 3.42Å; K154-R158 VanDerWaalsContact O-CG 3.31Å; K154-R158 WeakPolarHBondContact O-CG 3.17Å; K154-R158 PolarHBondContact O-N 3.38Å; K154-R158 PolarHBondContact O-NE 2.81Å; E155-R158 PolarHBondContact O-N 3.39Å; R158-V161 PolarHBondContact O-N 3.09Å; R158-S162 PolarHBondContact O-N 3.1Å; R158-S162 VanDerWaalsContact O-N 3.14Å; R158-S162 PolarHBondContact O-OG 2.93Å
159K67.3Low63.9Low117 Ų117103.8 Ų103.851%0.50955%0.545SS..Hα-helixtrans-66.2-36.9174.5-70.9176.7-175.21710112.2E155 S156 G157 V161 S162 C163E155-K159 WeakPolarHBondContact O-CG 3.35Å; E155-K159 PolarHBondContact O-N 3.36Å; E155-K159 WeakPolarHBondContact OE1-CE 3.18Å; E155-K159 IonicContact OE1-NZ 2.69Å; E155-K159 PolarHBondContact OE1-NZ 2.81Å; S156-K159 PolarHBondContact O-N 2.87Å; G157-K159 PolarHBondContact O-N 2.99Å; K159-V161 VanDerWaalsContact C-N 3.31Å; K159-V161 PolarHBondContact O-N 3.34Å; K159-S162 WeakPolarHBondContact CA-OG 3.3Å; K159-S162 PolarHBondContact O-N 3.4Å; K159-S162 PolarHBondContact O-OG 3.24Å; K159-C163 PolarHBondContact O-N 3Å
160G60Low63.8Low45 Ų45107.1 Ų107.146%0.46457%0.566SS.*Hα-helixtrans-63.2-35.3172.600000113.1S156 G157 C163 S164S156-G160 PolarHBondContact O-N 2.92Å; G157-G160 PolarHBondContact O-N 2.74Å; G160-C163 PolarHBondContact O-N 3.09Å; G160-S164 PolarHBondContact O-N 3.09Å; G160-S164 VanDerWaalsContact O-N 3.13Å
161V58.6Low63.7Low102 Ų102107.4 Ų107.462%0.61857%0.567SS**Hα-helixtrans-69.9-38.8175.3174.90000111.7G157 R158 K159 C163 S164 S167G157-V161 WeakPolarHBondContact O-CG2 3.24Å; G157-V161 PolarHBondContact O-N 3.48Å; R158-V161 PolarHBondContact O-N 3.09Å; K159-V161 VanDerWaalsContact C-N 3.31Å; K159-V161 PolarHBondContact O-N 3.34Å; V161-C163 VanDerWaalsContact C-N 3.31Å; V161-C163 PolarHBondContact O-N 3.01Å; V161-S164 WeakPolarHBondContact O-CB 3.33Å; V161-S164 PolarHBondContact O-N 2.84Å; V161-S164 PolarHBondContact O-OG 2.69Å; V161-S167 PolarHBondContact O-OG 3.47Å; V161-S167 VanDerWaalsContact O-OG 3.07Å
162S57.6Low64Low72 Ų72106 Ų10650%0.50356%0.559SS.*Hα-helixtrans-74.5-16175.9580000114.8R158 K159 S167R158-S162 PolarHBondContact O-N 3.1Å; R158-S162 VanDerWaalsContact O-N 3.14Å; R158-S162 PolarHBondContact O-OG 2.93Å; K159-S162 WeakPolarHBondContact CA-OG 3.3Å; K159-S162 PolarHBondContact O-N 3.4Å; K159-S162 PolarHBondContact O-OG 3.24Å; S162-S167 VanDerWaalsContact C-OG 3.25Å; S162-S167 PolarHBondContact O-OG 3.27Å; S162-S167 VanDerWaalsContact O-OG 3.06Å
163C53.4Low64.7Low103 Ų103105.6 Ų105.670%0.69657%0.566SS**THydrogen-bonded Turntrans-101.85.7171.9-67.80000112.3K159 G160 V161K159-C163 PolarHBondContact O-N 3Å; G160-C163 PolarHBondContact O-N 3.09Å; V161-C163 VanDerWaalsContact C-N 3.31Å; V161-C163 PolarHBondContact O-N 3.01Å
164S57.6Low65Low42 Ų42104.2 Ų104.229%0.29457%0.566SS.*SBendtrans-69.4142.9176.275.50000109.8G160 V161 Y166 S167G160-S164 PolarHBondContact O-N 3.09Å; G160-S164 VanDerWaalsContact O-N 3.13Å; V161-S164 WeakPolarHBondContact O-CB 3.33Å; V161-S164 PolarHBondContact O-N 2.84Å; V161-S164 PolarHBondContact O-OG 2.69Å; S164-Y166 PolarHBondContact O-N 2.82Å; S164-S167 PolarHBondContact N-OG 2.85Å; S164-S167 PolarHBondContact O-N 3.42Å; S164-S167 PolarHBondContact O-OG 2.69Å; S164-S167 PolarHBondContact OG-OG 2.92Å
165L56.9Low65.3Low153 Ų153100.2 Ų100.280%0.80155%0.552SS**Hα-helixtrans-51.9-28.1176.2-78.5169.8000112.5L168 L169L165-L168 PolarHBondContact O-N 3.12Å; L165-L169 WeakPolarHBondContact O-CD1 3.49Å
166Y58.6Low65.6Low170 Ų17099.1 Ų99.167%0.66755%0.55SS*.Hα-helixtrans-67-31.6176.8-164.5-104.9000114.1S164 L169S164-Y166 PolarHBondContact O-N 2.82Å; Y166-L169 HydrophobicContact CD2-CD1 4.45Å
167S60.1Low66.5Low59 Ų59103.3 Ų103.341%0.41355%0.554SS.*Hα-helixtrans-82.1-15.2178.5490000114.8V161 S162 S164V161-S167 PolarHBondContact O-OG 3.47Å; V161-S167 VanDerWaalsContact O-OG 3.07Å; S162-S167 VanDerWaalsContact C-OG 3.25Å; S162-S167 PolarHBondContact O-OG 3.27Å; S162-S167 VanDerWaalsContact O-OG 3.06Å; S164-S167 PolarHBondContact N-OG 2.85Å; S164-S167 PolarHBondContact O-N 3.42Å; S164-S167 PolarHBondContact O-OG 2.69Å; S164-S167 PolarHBondContact OG-OG 2.92Å
168L63.1Low67.2Low134 Ų134104 Ų10470%0.70256%0.555SS**Hα-helixtrans-93.6-11.1175.9-96.678.9000113.6L165L165-L168 PolarHBondContact O-N 3.12Å
169L67.8Low67.9Low112 Ų112100.6 Ų100.659%0.58655%0.545SS*.SBendtrans-67.8139.4178.3-86.9147.3000110.5L165 Y166 E171L165-L169 WeakPolarHBondContact O-CD1 3.49Å; Y166-L169 HydrophobicContact CD2-CD1 4.45Å; L169-E171 PolarHBondContact O-N 3.38Å
170P68.4Low68.6Low104 Ų104100.3 Ų100.368%0.67555%0.545SS*.  trans-54135.2173.8-23.332.4000110.4T172P170-T172 PolarHBondContact O-N 3.04Å
171E64.8Low69.7Low124 Ų124101.9 Ų101.958%0.57955%0.546SS*.  trans-59.3102.8176.6-89176.6165.400110.1L169 T175 V176 K179L169-E171 PolarHBondContact O-N 3.38Å; E171-T175 WeakPolarHBondContact CA-OG1 3.48Å; E171-V176 HydrophobicContact CB-CG2 3.92Å; E171-V176 HydrophobicContact CG-CG2 4.34Å; E171-K179 IonicContact OE1-NZ 2.69Å; E171-K179 PolarHBondContact OE1-NZ 2.82Å
172T80Confident70.6Confident74 Ų74100.4 Ų100.445%0.45454%0.54SS..  trans-75.8153.717068.70000108.8P170 E174 T175 V176P170-T172 PolarHBondContact O-N 3.04Å; T172-E174 PolarHBondContact O-N 3.13Å; T172-T175 PolarHBondContact N-OG1 3.42Å; T172-T175 PolarHBondContact O-N 3.43Å; T172-T175 PolarHBondContact O-OG1 2.84Å; T172-T175 WeakPolarHBondContact OG1-CG2 3.41Å; T172-T175 PolarHBondContact OG1-N 3.09Å; T172-T175 PolarHBondContact OG1-OG1 3.44Å; T172-V176 PolarHBondContact O-N 2.89Å
173I79.8Confident71.6Confident139 Ų139101.5 Ų101.571%0.71354%0.537SS*.Hα-helixtrans-52.9-31.5178.8-64163.8000111.7R177I173-R177 WeakPolarHBondContact O-CB 3.43Å; I173-R177 PolarHBondContact O-N 3.15Å
174E74.6Confident72.5Confident157 Ų157103.2 Ų103.273%0.73454%0.538SS*.Hα-helixtrans-71.6-41.5176.5-63.5-179.8174.300112.5T172 R177 A178T172-E174 PolarHBondContact O-N 3.13Å; E174-R177 PolarHBondContact O-N 2.95Å; E174-A178 WeakPolarHBondContact O-CB 3.28Å; E174-A178 PolarHBondContact O-N 2.82Å
175T78.7Confident72.9Confident31 Ų31106 Ų10619%0.1956%0.557CS.*Hα-helixtrans-67.5-36.3175.461.50000112.1E171 T172 A178 K179E171-T175 WeakPolarHBondContact CA-OG1 3.48Å; T172-T175 PolarHBondContact N-OG1 3.42Å; T172-T175 PolarHBondContact O-N 3.43Å; T172-T175 PolarHBondContact O-OG1 2.84Å; T172-T175 WeakPolarHBondContact OG1-CG2 3.41Å; T172-T175 PolarHBondContact OG1-N 3.09Å; T172-T175 PolarHBondContact OG1-OG1 3.44Å; T175-A178 PolarHBondContact O-N 2.81Å; T175-K179 VanDerWaalsContact O-CG 3.31Å; T175-K179 WeakPolarHBondContact O-CG 3.33Å; T175-K179 PolarHBondContact O-N 3.29Å
176V80.6Confident73.9Confident51 Ų51100.5 Ų100.531%0.30953%0.531SS..Hα-helixtrans-63.8-48.8173.6176.60000110E171 T172 A178 K179 E180E171-V176 HydrophobicContact CB-CG2 3.92Å; E171-V176 HydrophobicContact CG-CG2 4.34Å; T172-V176 PolarHBondContact O-N 2.89Å; V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 3.47Å; V176-K179 WeakPolarHBondContact O-CB 3.46Å; V176-K179 PolarHBondContact O-N 3.38Å; V176-K179 VanDerWaalsContact O-N 3.14Å; V176-E180 WeakPolarHBondContact O-CG 3.31Å; V176-E180 PolarHBondContact O-N 2.91Å
177R79.6Confident74.6Confident167 Ų167100 Ų10063%0.6354%0.535SS*.Hα-helixtrans-60.7-40176.8-169.3-171.9-63.1-131.80.5112.1I173 E174 E180 V181I173-R177 WeakPolarHBondContact O-CB 3.43Å; I173-R177 PolarHBondContact O-N 3.15Å; E174-R177 PolarHBondContact O-N 2.95Å; R177-E180 PolarHBondContact O-N 2.92Å; R177-V181 WeakPolarHBondContact O-CB 3.49Å; R177-V181 VanDerWaalsContact O-CG2 3.25Å; R177-V181 WeakPolarHBondContact O-CG2 3.37Å; R177-V181 PolarHBondContact O-N 3.41Å
178A78.4Confident75.3Confident57 Ų57103.7 Ų103.747%0.47155%0.549SS..Hα-helixtrans-65.5-38.5176.300000112E174 T175 V176 S182E174-A178 WeakPolarHBondContact O-CB 3.28Å; E174-A178 PolarHBondContact O-N 2.82Å; T175-A178 PolarHBondContact O-N 2.81Å; V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 3.47Å; A178-S182 WeakPolarHBondContact O-CB 3.25Å; A178-S182 PolarHBondContact O-N 3.26Å; A178-S182 PolarHBondContact O-OG 2.86Å
179K79.9Confident76Confident100 Ų100101.7 Ų101.744%0.43554%0.535SS..Hα-helixtrans-63.3-48.5172.7-75.1178.5-176.4-174.70111.3E171 T175 V176 V181 S182 E183E171-K179 IonicContact OE1-NZ 2.69Å; E171-K179 PolarHBondContact OE1-NZ 2.82Å; T175-K179 VanDerWaalsContact O-CG 3.31Å; T175-K179 WeakPolarHBondContact O-CG 3.33Å; T175-K179 PolarHBondContact O-N 3.29Å; V176-K179 WeakPolarHBondContact O-CB 3.46Å; V176-K179 PolarHBondContact O-N 3.38Å; V176-K179 VanDerWaalsContact O-N 3.14Å; K179-V181 PolarHBondContact O-N 3.18Å; K179-S182 WeakPolarHBondContact CA-OG 3.37Å; K179-S182 CarbonylContact O-C 3.55Å; K179-S182 PolarHBondContact O-N 2.75Å; K179-S182 VanDerWaalsContact O-N 3.11Å; K179-S182 PolarHBondContact O-OG 3.27Å; K179-E183 WeakPolarHBondContact O-CG 3.41Å; K179-E183 PolarHBondContact O-N 3.12Å
180E82.6Confident76.3Confident110 Ų110104.3 Ų104.351%0.51454%0.538SS..Hα-helixtrans-57.8-45.6176.1-70.8174.4169.300112V176 R177 S182 E183 L184V176-E180 WeakPolarHBondContact O-CG 3.31Å; V176-E180 PolarHBondContact O-N 2.91Å; R177-E180 PolarHBondContact O-N 2.92Å; E180-S182 VanDerWaalsContact C-N 3.35Å; E180-S182 PolarHBondContact O-N 2.75Å; E180-E183 PolarHBondContact O-N 2.81Å; E180-L184 WeakPolarHBondContact O-CB 3.17Å; E180-L184 VanDerWaalsContact O-CG 3.27Å; E180-L184 WeakPolarHBondContact O-CG 3.31Å; E180-L184 PolarHBondContact O-N 3.37Å
181V81.7Confident76.9Confident79 Ų79104.6 Ų104.648%0.47953%0.53SS..Hα-helixtrans-62.7-41.9175.4172.10000111R177 K179 E183 L184 C185R177-V181 WeakPolarHBondContact O-CB 3.49Å; R177-V181 VanDerWaalsContact O-CG2 3.25Å; R177-V181 WeakPolarHBondContact O-CG2 3.37Å; R177-V181 PolarHBondContact O-N 3.41Å; K179-V181 PolarHBondContact O-N 3.18Å; V181-E183 VanDerWaalsContact C-N 3.32Å; V181-E183 PolarHBondContact O-N 2.94Å; V181-L184 PolarHBondContact O-N 2.93Å; V181-C185 WeakPolarHBondContact O-CB 3.44Å; V181-C185 PolarHBondContact O-N 3.21Å; V181-C185 PolarHBondContact O-SG 3.4Å
182S77.8Confident77.7Confident70 Ų70103 Ų10349%0.4952%0.523SS..Hα-helixtrans-65.1-35.3176.9780000112.8A178 K179 E180 S186A178-S182 WeakPolarHBondContact O-CB 3.25Å; A178-S182 PolarHBondContact O-N 3.26Å; A178-S182 PolarHBondContact O-OG 2.86Å; K179-S182 WeakPolarHBondContact CA-OG 3.37Å; K179-S182 CarbonylContact O-C 3.55Å; K179-S182 PolarHBondContact O-N 2.75Å; K179-S182 VanDerWaalsContact O-N 3.11Å; K179-S182 PolarHBondContact O-OG 3.27Å; E180-S182 VanDerWaalsContact C-N 3.35Å; E180-S182 PolarHBondContact O-N 2.75Å; S182-S186 WeakPolarHBondContact O-CB 3.47Å; S182-S186 PolarHBondContact O-N 2.81Å
183E78.4Confident77.4Confident95 Ų95102 Ų10244%0.44452%0.519SS..Hα-helixtrans-70.3-41.7175.1-74.6-171.3-166.800111.5K179 E180 V181 C185 S186 K189K179-E183 WeakPolarHBondContact O-CG 3.41Å; K179-E183 PolarHBondContact O-N 3.12Å; E180-E183 PolarHBondContact O-N 2.81Å; V181-E183 VanDerWaalsContact C-N 3.32Å; V181-E183 PolarHBondContact O-N 2.94Å; E183-C185 VanDerWaalsContact C-N 3.32Å; E183-S186 WeakPolarHBondContact O-CB 3.43Å; E183-S186 PolarHBondContact O-N 3.07Å; E183-S186 VanDerWaalsContact O-N 3.17Å; E183-S186 PolarHBondContact O-OG 2.88Å; E183-K189 HydrophobicContact CB-CD 4.43Å; E183-K189 IonicContact OE2-NZ 3.79Å; E183-K189 PolarHBondContact OE2-NZ 3.37Å
184L72.9Confident77.1Confident139 Ų13997.7 Ų97.773%0.72850%0.502SS*.Hα-helixtrans-63.9-37.5174.7-72.3172.5000112E180 V181 S186E180-L184 WeakPolarHBondContact O-CB 3.17Å; E180-L184 VanDerWaalsContact O-CG 3.27Å; E180-L184 WeakPolarHBondContact O-CG 3.31Å; E180-L184 PolarHBondContact O-N 3.37Å; V181-L184 PolarHBondContact O-N 2.93Å; L184-S186 VanDerWaalsContact C-N 3.3Å
185C66.2Low77.3Confident101 Ų10198.5 Ų98.568%0.68250%0.498SS*.THydrogen-bonded Turntrans-81.8-6.9175.5-67.50000113.3V181 E183 E187V181-C185 WeakPolarHBondContact O-CB 3.44Å; V181-C185 PolarHBondContact O-N 3.21Å; V181-C185 PolarHBondContact O-SG 3.4Å; E183-C185 VanDerWaalsContact C-N 3.32Å; C185-E187 PolarHBondContact O-N 2.87Å
186S77.9Confident77.4Confident37 Ų37102.3 Ų102.326%0.25951%0.512SS..  trans-70.5121.7179.974.70000110S182 E183 L184 L188 K189 Y190S182-S186 WeakPolarHBondContact O-CB 3.47Å; S182-S186 PolarHBondContact O-N 2.81Å; E183-S186 WeakPolarHBondContact O-CB 3.43Å; E183-S186 PolarHBondContact O-N 3.07Å; E183-S186 VanDerWaalsContact O-N 3.17Å; E183-S186 PolarHBondContact O-OG 2.88Å; L184-S186 VanDerWaalsContact C-N 3.3Å; S186-L188 PolarHBondContact O-N 3.49Å; S186-K189 PolarHBondContact O-N 3.24Å; S186-K189 VanDerWaalsContact O-N 3.11Å; S186-K189 VanDerWaalsContact OG-CB 3.28Å; S186-K189 WeakPolarHBondContact OG-CB 3.36Å; S186-K189 WeakPolarHBondContact OG-CG 3.42Å; S186-K189 PolarHBondContact OG-N 3.34Å; S186-Y190 PolarHBondContact O-N 2.76Å
187E73.4Confident77.2Confident159 Ų159106.3 Ų106.374%0.74353%0.527SS*.Hα-helixtrans-58.8-32.3-178.2-175.6163.2-159.200112.2C185 Y190 Q191C185-E187 PolarHBondContact O-N 2.87Å; E187-Y190 PolarHBondContact O-N 2.79Å; E187-Q191 VanDerWaalsContact O-CB 3.3Å; E187-Q191 WeakPolarHBondContact O-CB 3.04Å; E187-Q191 PolarHBondContact O-N 3.44Å
188L74.9Confident76.8Confident138 Ų138104.7 Ų104.772%0.72353%0.528SS*.Hα-helixtrans-66.1-46.6175.5-66.3-179.5000112.6S186 Y190 Q191 E192S186-L188 PolarHBondContact O-N 3.49Å; L188-Y190 VanDerWaalsContact C-N 3.31Å; L188-Q191 PolarHBondContact O-N 2.97Å; L188-E192 VanDerWaalsContact O-CB 3.25Å; L188-E192 WeakPolarHBondContact O-CB 3.36Å; L188-E192 PolarHBondContact O-N 2.94Å
189K77.1Confident76.4Confident91 Ų91105.7 Ų105.740%0.39653%0.532SS..Hα-helixtrans-69.7-32.4175.6-73.4-149179.8177.10111.7E183 S186 E192 S193E183-K189 HydrophobicContact CB-CD 4.43Å; E183-K189 IonicContact OE2-NZ 3.79Å; E183-K189 PolarHBondContact OE2-NZ 3.37Å; S186-K189 PolarHBondContact O-N 3.24Å; S186-K189 VanDerWaalsContact O-N 3.11Å; S186-K189 VanDerWaalsContact OG-CB 3.28Å; S186-K189 WeakPolarHBondContact OG-CB 3.36Å; S186-K189 WeakPolarHBondContact OG-CG 3.42Å; S186-K189 PolarHBondContact OG-N 3.34Å; K189-E192 PolarHBondContact O-N 3.01Å; K189-S193 WeakPolarHBondContact O-CB 3.27Å; K189-S193 PolarHBondContact O-N 2.87Å; K189-S193 PolarHBondContact O-OG 2.91Å
190Y74.7Confident76.2Confident167 Ų167105.1 Ų105.166%0.65554%0.54SS*.Hα-helixtrans-64-47.4174.1-179.1-101.4000111.6S186 E187 L188 S193 S194S186-Y190 PolarHBondContact O-N 2.76Å; E187-Y190 PolarHBondContact O-N 2.79Å; L188-Y190 VanDerWaalsContact C-N 3.31Å; Y190-S193 PolarHBondContact O-N 3.41Å; Y190-S194 VanDerWaalsContact O-CB 3.29Å; Y190-S194 WeakPolarHBondContact O-CB 3.27Å; Y190-S194 PolarHBondContact O-N 3.19Å
191Q80.4Confident75.8Confident110 Ų110101.5 Ų101.551%0.51453%0.527SS..Hα-helixtrans-66-38.4176.6-167.1-175.524.800111.9E187 L188 R195E187-Q191 VanDerWaalsContact O-CB 3.3Å; E187-Q191 WeakPolarHBondContact O-CB 3.04Å; E187-Q191 PolarHBondContact O-N 3.44Å; L188-Q191 PolarHBondContact O-N 2.97Å; Q191-R195 VanDerWaalsContact O-CB 3.3Å; Q191-R195 WeakPolarHBondContact O-CB 3.32Å; Q191-R195 PolarHBondContact O-N 2.92Å
192E82.2Confident75.2Confident90 Ų90105.4 Ų105.442%0.42154%0.54SS..Hα-helixtrans-65.1-43.9174.7-172.1-172.5-173.600111.4L188 K189 R195 K196L188-E192 VanDerWaalsContact O-CB 3.25Å; L188-E192 WeakPolarHBondContact O-CB 3.36Å; L188-E192 PolarHBondContact O-N 2.94Å; K189-E192 PolarHBondContact O-N 3.01Å; E192-R195 PolarHBondContact O-N 3.33Å; E192-K196 HydrophobicContact CG-CD 4.26Å; E192-K196 WeakPolarHBondContact O-CB 3.5Å; E192-K196 WeakPolarHBondContact O-CG 3.15Å; E192-K196 PolarHBondContact O-N 2.83Å; E192-K196 WeakPolarHBondContact OE1-CE 3.35Å; E192-K196 IonicContact OE1-NZ 3.5Å; E192-K196 PolarHBondContact OE1-NZ 3.33Å; E192-K196 IonicContact OE2-NZ 2.66Å
193S74.5Confident74.8Confident54 Ų54111.9 Ų111.938%0.37856%0.555SS.*Hα-helixtrans-65.8-43.3177.5-57.10000110.6K189 Y190 R195 K196 E197K189-S193 WeakPolarHBondContact O-CB 3.27Å; K189-S193 PolarHBondContact O-N 2.87Å; K189-S193 PolarHBondContact O-OG 2.91Å; Y190-S193 PolarHBondContact O-N 3.41Å; S193-R195 VanDerWaalsContact C-N 3.34Å; S193-R195 PolarHBondContact O-N 3.34Å; S193-K196 PolarHBondContact O-N 2.71Å; S193-E197 WeakPolarHBondContact O-CB 3.21Å; S193-E197 WeakPolarHBondContact O-CG 3.45Å; S193-E197 PolarHBondContact O-N 2.8Å
194S72.8Confident74.4Confident49 Ų49110.2 Ų110.234%0.34356%0.557SS.*Hα-helixtrans-60.5-41.4172.9177.70000112.1Y190 M198Y190-S194 VanDerWaalsContact O-CB 3.29Å; Y190-S194 WeakPolarHBondContact O-CB 3.27Å; Y190-S194 PolarHBondContact O-N 3.19Å; S194-M198 WeakPolarHBondContact O-CB 3.5Å; S194-M198 PolarHBondContact O-N 3.48Å
195R78Confident74.4Confident173 Ų173108.4 Ų108.465%0.65355%0.552SS**Hα-helixtrans-65.3-42.7174.7-171.2-174.4-59.9-154.40.9111.7Q191 E192 S193 M198 S199Q191-R195 VanDerWaalsContact O-CB 3.3Å; Q191-R195 WeakPolarHBondContact O-CB 3.32Å; Q191-R195 PolarHBondContact O-N 2.92Å; E192-R195 PolarHBondContact O-N 3.33Å; S193-R195 VanDerWaalsContact C-N 3.34Å; S193-R195 PolarHBondContact O-N 3.34Å; R195-M198 PolarHBondContact O-N 2.91Å; R195-S199 WeakPolarHBondContact O-CB 3.12Å; R195-S199 PolarHBondContact O-N 3.49Å; R195-S199 PolarHBondContact O-OG 3.31Å
196K80.9Confident75Confident111 Ų111109.5 Ų109.548%0.48355%0.549SS..Hα-helixtrans-64.2-44.2176.6-77.7174.2-175.7166.60111.3E192 S193 S199 S200E192-K196 HydrophobicContact CG-CD 4.26Å; E192-K196 WeakPolarHBondContact O-CB 3.5Å; E192-K196 WeakPolarHBondContact O-CG 3.15Å; E192-K196 PolarHBondContact O-N 2.83Å; E192-K196 WeakPolarHBondContact OE1-CE 3.35Å; E192-K196 IonicContact OE1-NZ 3.5Å; E192-K196 PolarHBondContact OE1-NZ 3.33Å; E192-K196 IonicContact OE2-NZ 2.66Å; S193-K196 PolarHBondContact O-N 2.71Å; K196-S199 WeakPolarHBondContact CA-OG 3.38Å; K196-S199 CarbonylContact O-C 3.58Å; K196-S199 PolarHBondContact O-N 3.23Å; K196-S199 PolarHBondContact O-OG 3.43Å; K196-S200 WeakPolarHBondContact O-CB 3.34Å; K196-S200 PolarHBondContact O-N 2.83Å
197E76.4Confident75Confident135 Ų135112.8 Ų112.863%0.63157%0.569SS**Hα-helixtrans-64.1-39.9174.5-76.4-179-176.400111.9S193 S199 S200 S201S193-E197 WeakPolarHBondContact O-CB 3.21Å; S193-E197 WeakPolarHBondContact O-CG 3.45Å; S193-E197 PolarHBondContact O-N 2.8Å; E197-S199 VanDerWaalsContact C-N 3.28Å; E197-S199 PolarHBondContact O-N 3.02Å; E197-S200 CarbonylContact O-C 3.6Å; E197-S200 PolarHBondContact O-N 3.33Å; E197-S201 WeakPolarHBondContact O-CA 3.14Å; E197-S201 WeakPolarHBondContact O-CB 3.3Å; E197-S201 PolarHBondContact O-N 3.13Å
198M71.1Confident75.2Confident134 Ų134111 Ų11166%0.6656%0.561SS**Hα-helixtrans-61.8-40.1173.5-153.480.685.300110.8S194 R195 S201 A204S194-M198 WeakPolarHBondContact O-CB 3.5Å; S194-M198 PolarHBondContact O-N 3.48Å; R195-M198 PolarHBondContact O-N 2.91Å; M198-S201 WeakPolarHBondContact O-CB 3.38Å; M198-S201 PolarHBondContact O-N 2.64Å; M198-S201 PolarHBondContact O-OG 3.22Å; M198-A204 WeakPolarHBondContact O-CB 3.37Å
199S71.7Confident75.7Confident77 Ų77107.9 Ų107.954%0.53855%0.548SS..Hα-helixtrans-75.3-24.8176.571.30000114.6R195 K196 E197 A204R195-S199 WeakPolarHBondContact O-CB 3.12Å; R195-S199 PolarHBondContact O-N 3.49Å; R195-S199 PolarHBondContact O-OG 3.31Å; K196-S199 WeakPolarHBondContact CA-OG 3.38Å; K196-S199 CarbonylContact O-C 3.58Å; K196-S199 PolarHBondContact O-N 3.23Å; K196-S199 PolarHBondContact O-OG 3.43Å; E197-S199 VanDerWaalsContact C-N 3.28Å; E197-S199 PolarHBondContact O-N 3.02Å; S199-A204 WeakPolarHBondContact O-CB 3.3Å
200S73.7Confident76.1Confident88 Ų88108.2 Ų108.262%0.61556%0.562SS**Hα-helixtrans-94.6-3.8174.987.80000112.6K196 E197K196-S200 WeakPolarHBondContact O-CB 3.34Å; K196-S200 PolarHBondContact O-N 2.83Å; E197-S200 CarbonylContact O-C 3.6Å; E197-S200 PolarHBondContact O-N 3.33Å
201S76.2Confident76.5Confident34 Ų34107.7 Ų107.724%0.23857%0.565CS.*SBendtrans-61.6143.617874.40000109.1E197 M198 Y203 A204E197-S201 WeakPolarHBondContact O-CA 3.14Å; E197-S201 WeakPolarHBondContact O-CB 3.3Å; E197-S201 PolarHBondContact O-N 3.13Å; M198-S201 WeakPolarHBondContact O-CB 3.38Å; M198-S201 PolarHBondContact O-N 2.64Å; M198-S201 PolarHBondContact O-OG 3.22Å; S201-Y203 PolarHBondContact O-N 3Å; S201-A204 WeakPolarHBondContact O-CB 3.43Å; S201-A204 PolarHBondContact O-N 2.68Å; S201-A204 PolarHBondContact OG-N 3.1Å
202H69.1Low76.7Confident161 Ų161105.7 Ų105.775%0.74556%0.561SS**THydrogen-bonded Turntrans-53.3-30.2176.9-73.3-64.5000112.1T205 M206H202-T205 PolarHBondContact O-N 2.94Å; H202-T205 PolarHBondContact O-OG1 3.4Å; H202-M206 WeakPolarHBondContact O-CG 3.23Å; H202-M206 PolarHBondContact O-N 2.86Å
203Y68.8Low76.8Confident207 Ų207103 Ų10381%0.81255%0.552SS**THydrogen-bonded Turntrans-63.8-34.8174.9-66.9-79.7000114S201 T205 M206S201-Y203 PolarHBondContact O-N 3Å; Y203-T205 VanDerWaalsContact C-N 3.3Å; Y203-M206 PolarHBondContact O-N 3.36Å
204A69.4Low77.4Confident59 Ų59106.9 Ų106.949%0.48856%0.562SS.*THydrogen-bonded Turntrans-71.8-25.9175.900000112.7M198 S199 S201M198-A204 WeakPolarHBondContact O-CB 3.37Å; S199-A204 WeakPolarHBondContact O-CB 3.3Å; S201-A204 WeakPolarHBondContact O-CB 3.43Å; S201-A204 PolarHBondContact O-N 2.68Å; S201-A204 PolarHBondContact OG-N 3.1Å
205T73.6Confident78Confident101 Ų101107.2 Ų107.262%0.6257%0.568SS**THydrogen-bonded Turntrans-90-6.4177.256.20000114.1H202 Y203H202-T205 PolarHBondContact O-N 2.94Å; H202-T205 PolarHBondContact O-OG1 3.4Å; Y203-T205 VanDerWaalsContact C-N 3.3Å
206M78.8Confident78.3Confident125 Ų125104.9 Ų104.962%0.61656%0.559SS**SBendtrans-67.5144176.4-73.9-63.2-7200110.2H202 Y203 E208H202-M206 WeakPolarHBondContact O-CG 3.23Å; H202-M206 PolarHBondContact O-N 2.86Å; Y203-M206 PolarHBondContact O-N 3.36Å; M206-E208 PolarHBondContact O-N 3.32Å
207P77.5Confident78.6Confident106 Ų106105.3 Ų105.369%0.68856%0.563SS**PPolyproline II helixtrans-55.1132.6170.7-21.431.6000110.2T209P207-T209 PolarHBondContact O-N 2.88Å; P207-T209 VanDerWaalsContact O-N 3.16Å
208E77.1Confident79.1Confident120 Ų120103 Ų10356%0.56155%0.553SS**PPolyproline II helixtrans-58.8119.9177.5-88167-155.200110.7M206 R216M206-E208 PolarHBondContact O-N 3.32Å; E208-R216 VanDerWaalsContact CD-NH1 3.25Å; E208-R216 IonicContact OE1-CZ 2.71Å; E208-R216 IonicContact OE1-NH1 3.23Å; E208-R216 PolarHBondContact OE1-NH1 3.11Å; E208-R216 IonicContact OE1-NH2 2.61Å; E208-R216 PolarHBondContact OE1-NH2 3.45Å; E208-R216 IonicContact OE2-NH1 3.94Å; E208-R216 PolarHBondContact OE2-NH1 2.79Å
209T85.8Confident79.7Confident73 Ų7399.9 Ų99.945%0.44855%0.545SS..PPolyproline II helixtrans-82.8158.8168.968.40000109.5P207 E211 T212 S213P207-T209 PolarHBondContact O-N 2.88Å; P207-T209 VanDerWaalsContact O-N 3.16Å; T209-E211 PolarHBondContact O-N 3.41Å; T209-E211 VanDerWaalsContact O-N 3.17Å; T209-T212 PolarHBondContact N-OG1 3.28Å; T209-T212 PolarHBondContact O-N 3.48Å; T209-T212 VanDerWaalsContact O-N 3.11Å; T209-T212 PolarHBondContact O-OG1 3.01Å; T209-T212 WeakPolarHBondContact OG1-CG2 3.26Å; T209-T212 PolarHBondContact OG1-N 2.86Å; T209-T212 PolarHBondContact OG1-OG1 2.62Å; T209-S213 PolarHBondContact O-N 2.87Å; T209-S213 PolarHBondContact O-OG 3.07Å
210S85.3Confident80.4Confident99 Ų9998.6 Ų98.669%0.69253%0.532SS*.Hα-helixtrans-55.7-30.9175.750.30000113.1S213 F214S210-S213 VanDerWaalsContact CA-OG 3.29Å; S210-S213 WeakPolarHBondContact CA-OG 3.41Å; S210-S213 PolarHBondContact O-OG 3.13Å; S210-F214 VanDerWaalsContact O-CB 3.32Å; S210-F214 WeakPolarHBondContact O-CB 3.37Å; S210-F214 PolarHBondContact O-N 3.15Å; S210-F214 VanDerWaalsContact O-N 3.13Å
211E84.1Confident80.8Confident155 Ų155100.6 Ų100.672%0.72454%0.535SS*.Hα-helixtrans-74.5-41176.8-67.1178.3175.600112.2T209 F214 A215T209-E211 PolarHBondContact O-N 3.41Å; T209-E211 VanDerWaalsContact O-N 3.17Å; E211-F214 PolarHBondContact O-N 2.94Å; E211-A215 WeakPolarHBondContact O-CB 3.33Å; E211-A215 PolarHBondContact O-N 2.7Å
212T84.4Confident80.8Confident69 Ų69105.7 Ų105.742%0.42356%0.555SS.*Hα-helixtrans-70.3-34.8178.556.50000112.8T209 R216T209-T212 PolarHBondContact N-OG1 3.28Å; T209-T212 PolarHBondContact O-N 3.48Å; T209-T212 VanDerWaalsContact O-N 3.11Å; T209-T212 PolarHBondContact O-OG1 3.01Å; T209-T212 WeakPolarHBondContact OG1-CG2 3.26Å; T209-T212 PolarHBondContact OG1-N 2.86Å; T209-T212 PolarHBondContact OG1-OG1 2.62Å; T212-R216 WeakPolarHBondContact O-CB 3.27Å; T212-R216 PolarHBondContact O-N 2.76Å; T212-R216 VanDerWaalsContact O-N 3.08Å
213S83.8Confident81.6Confident34 Ų3499.7 Ų99.724%0.23853%0.531CS..Hα-helixtrans-67.2-4717345.30000110.9T209 S210 A215 R216 E217T209-S213 PolarHBondContact O-N 2.87Å; T209-S213 PolarHBondContact O-OG 3.07Å; S210-S213 VanDerWaalsContact CA-OG 3.29Å; S210-S213 WeakPolarHBondContact CA-OG 3.41Å; S210-S213 PolarHBondContact O-OG 3.13Å; S213-A215 PolarHBondContact O-N 3.19Å; S213-R216 PolarHBondContact O-N 2.71Å; S213-R216 VanDerWaalsContact O-N 3.15Å; S213-E217 WeakPolarHBondContact O-CG 3.29Å; S213-E217 PolarHBondContact O-N 3.49Å
214F87.6Confident82.2Confident134 Ų13496 Ų9659%0.58852%0.521SS*.Hα-helixtrans-58.9-43.5174.4179.7-102000112.8S210 E211 R216 E217 M218S210-F214 VanDerWaalsContact O-CB 3.32Å; S210-F214 WeakPolarHBondContact O-CB 3.37Å; S210-F214 PolarHBondContact O-N 3.15Å; S210-F214 VanDerWaalsContact O-N 3.13Å; E211-F214 PolarHBondContact O-N 2.94Å; F214-R216 VanDerWaalsContact C-N 3.3Å; F214-R216 PolarHBondContact O-N 3.46Å; F214-E217 PolarHBondContact O-N 3.25Å; F214-M218 WeakPolarHBondContact O-CB 3.34Å; F214-M218 PolarHBondContact O-N 3.21Å
215A85.4Confident82.8Confident57 Ų5798.5 Ų98.547%0.47153%0.531SS..Hα-helixtrans-62.8-37.317700000112.3E211 S213 S219E211-A215 WeakPolarHBondContact O-CB 3.33Å; E211-A215 PolarHBondContact O-N 2.7Å; S213-A215 PolarHBondContact O-N 3.19Å; A215-S219 WeakPolarHBondContact O-CB 3.47Å; A215-S219 PolarHBondContact O-N 3.43Å
216R84.1Confident83.3Confident123 Ų12397.4 Ų97.446%0.46452%0.517SS..Hα-helixtrans-68.8-45.6175.2-167.6-174.8-62154.60.5111.6E208 T212 S213 F214 M218 S219 D220E208-R216 VanDerWaalsContact CD-NH1 3.25Å; E208-R216 IonicContact OE1-CZ 2.71Å; E208-R216 IonicContact OE1-NH1 3.23Å; E208-R216 PolarHBondContact OE1-NH1 3.11Å; E208-R216 IonicContact OE1-NH2 2.61Å; E208-R216 PolarHBondContact OE1-NH2 3.45Å; E208-R216 IonicContact OE2-NH1 3.94Å; E208-R216 PolarHBondContact OE2-NH1 2.79Å; T212-R216 WeakPolarHBondContact O-CB 3.27Å; T212-R216 PolarHBondContact O-N 2.76Å; T212-R216 VanDerWaalsContact O-N 3.08Å; S213-R216 PolarHBondContact O-N 2.71Å; S213-R216 VanDerWaalsContact O-N 3.15Å; F214-R216 VanDerWaalsContact C-N 3.3Å; F214-R216 PolarHBondContact O-N 3.46Å; R216-M218 VanDerWaalsContact C-N 3.31Å; R216-M218 PolarHBondContact O-N 2.85Å; R216-S219 WeakPolarHBondContact O-CB 3.4Å; R216-S219 PolarHBondContact O-N 3.43Å; R216-D220 VanDerWaalsContact O-CB 3.3Å; R216-D220 WeakPolarHBondContact O-CB 3.49Å; R216-D220 PolarHBondContact O-N 2.88Å
217E87.4Confident83.4Confident121 Ų12199.8 Ų99.857%0.56552%0.52SS*.Hα-helixtrans-59.4-42.4175.4-73.4176.9-170.600111.6S213 F214 D220 L221S213-E217 WeakPolarHBondContact O-CG 3.29Å; S213-E217 PolarHBondContact O-N 3.49Å; F214-E217 PolarHBondContact O-N 3.25Å; E217-D220 WeakPolarHBondContact O-CB 3.45Å; E217-D220 PolarHBondContact O-N 3.34Å; E217-L221 WeakPolarHBondContact O-CB 3.23Å; E217-L221 VanDerWaalsContact O-CG 3.29Å; E217-L221 WeakPolarHBondContact O-CG 3.02Å; E217-L221 PolarHBondContact O-N 2.97Å
218M85.8Confident83.7Confident85 Ų85100.3 Ų100.342%0.41951%0.512SS..Hα-helixtrans-64.6-42.2176-167.368.9-171.400111.8F214 R216 D220 L221 Q222F214-M218 WeakPolarHBondContact O-CB 3.34Å; F214-M218 PolarHBondContact O-N 3.21Å; R216-M218 VanDerWaalsContact C-N 3.31Å; R216-M218 PolarHBondContact O-N 2.85Å; M218-D220 VanDerWaalsContact C-N 3.3Å; M218-D220 PolarHBondContact O-N 3.03Å; M218-L221 PolarHBondContact O-N 2.86Å; M218-Q222 WeakPolarHBondContact O-CB 3.3Å; M218-Q222 VanDerWaalsContact O-CG 3.29Å; M218-Q222 WeakPolarHBondContact O-CG 3.48Å; M218-Q222 PolarHBondContact O-N 3.32Å
219S85Confident84.1Confident70 Ų7098.9 Ų98.949%0.4951%0.505SS..Hα-helixtrans-64.1-36.9174.1-178.20000111.9A215 R216 Q222 S223A215-S219 WeakPolarHBondContact O-CB 3.47Å; A215-S219 PolarHBondContact O-N 3.43Å; R216-S219 WeakPolarHBondContact O-CB 3.4Å; R216-S219 PolarHBondContact O-N 3.43Å; S219-Q222 PolarHBondContact O-N 3.46Å; S219-S223 WeakPolarHBondContact O-CB 3.5Å; S219-S223 PolarHBondContact O-N 3.49Å
220D85.6Confident83.9Confident49 Ų4999.4 Ų99.426%0.26251%0.505SS..Hα-helixtrans-68.2-44.4178.2-76.5-22.3000111R216 E217 M218 Q222 S223 K226R216-D220 VanDerWaalsContact O-CB 3.3Å; R216-D220 WeakPolarHBondContact O-CB 3.49Å; R216-D220 PolarHBondContact O-N 2.88Å; E217-D220 WeakPolarHBondContact O-CB 3.45Å; E217-D220 PolarHBondContact O-N 3.34Å; M218-D220 VanDerWaalsContact C-N 3.3Å; M218-D220 PolarHBondContact O-N 3.03Å; D220-Q222 VanDerWaalsContact C-N 3.3Å; D220-Q222 PolarHBondContact O-N 3.46Å; D220-S223 WeakPolarHBondContact O-CB 3.44Å; D220-S223 PolarHBondContact O-N 3.01Å; D220-S223 VanDerWaalsContact O-N 3.11Å; D220-S223 PolarHBondContact O-OG 2.92Å; D220-K226 HydrophobicContact CB-CD 3.66Å; D220-K226 WeakPolarHBondContact OD1-CE 3.29Å; D220-K226 IonicContact OD1-NZ 2.66Å; D220-K226 PolarHBondContact OD1-NZ 2.93Å; D220-K226 IonicContact OD2-NZ 2.71Å; D220-K226 PolarHBondContact OD2-NZ 3.41Å
221L82.2Confident83.7Confident130 Ų13096.1 Ų96.168%0.68149%0.487SS*.Hα-helixtrans-62.3-35.3174.3-75.5169.4000112.6E217 M218 S223E217-L221 WeakPolarHBondContact O-CB 3.23Å; E217-L221 VanDerWaalsContact O-CG 3.29Å; E217-L221 WeakPolarHBondContact O-CG 3.02Å; E217-L221 PolarHBondContact O-N 2.97Å; M218-L221 PolarHBondContact O-N 2.86Å; L221-S223 VanDerWaalsContact C-N 3.32Å
222Q77Confident83.4Confident142 Ų14295.7 Ų95.766%0.66449%0.487SS*.Hα-helixtrans-78.6-16.5175.7-72.9179.5-10.100113.2M218 S219 D220 E224M218-Q222 WeakPolarHBondContact O-CB 3.3Å; M218-Q222 VanDerWaalsContact O-CG 3.29Å; M218-Q222 WeakPolarHBondContact O-CG 3.48Å; M218-Q222 PolarHBondContact O-N 3.32Å; S219-Q222 PolarHBondContact O-N 3.46Å; D220-Q222 VanDerWaalsContact C-N 3.3Å; D220-Q222 PolarHBondContact O-N 3.46Å; Q222-E224 PolarHBondContact O-N 2.95Å
223S85.4Confident83.2Confident35 Ų3596.4 Ų96.425%0.24548%0.484CS..  trans-73.7121-179.778.80000110.5S219 D220 L221 V225 K226 Y227S219-S223 WeakPolarHBondContact O-CB 3.5Å; S219-S223 PolarHBondContact O-N 3.49Å; D220-S223 WeakPolarHBondContact O-CB 3.44Å; D220-S223 PolarHBondContact O-N 3.01Å; D220-S223 VanDerWaalsContact O-N 3.11Å; D220-S223 PolarHBondContact O-OG 2.92Å; L221-S223 VanDerWaalsContact C-N 3.32Å; S223-V225 PolarHBondContact O-N 3.15Å; S223-K226 PolarHBondContact O-N 3.45Å; S223-K226 VanDerWaalsContact OG-CB 3.23Å; S223-K226 WeakPolarHBondContact OG-CB 3.29Å; S223-K226 WeakPolarHBondContact OG-CG 3.41Å; S223-K226 PolarHBondContact OG-N 3.26Å; S223-Y227 PolarHBondContact O-N 3.24Å
224E80.8Confident82.8Confident128 Ų12898 Ų9860%0.59850%0.495SS*.Hα-helixtrans-59.9-32.3179.5-171.6-175.5166.200112Q222 K228Q222-E224 PolarHBondContact O-N 2.95Å; E224-K228 HydrophobicContact CG-CD 4.39Å; E224-K228 WeakPolarHBondContact O-CB 3.45Å; E224-K228 WeakPolarHBondContact O-CG 3.36Å; E224-K228 PolarHBondContact O-N 2.86Å; E224-K228 WeakPolarHBondContact OE1-CE 3.29Å; E224-K228 IonicContact OE1-NZ 3.99Å; E224-K228 PolarHBondContact OE1-NZ 3.42Å
225V81.6Confident82.2Confident113 Ų11396.2 Ų96.269%0.68550%0.495SS*.Hα-helixtrans-66.3-50.2179.61790000111S223 Y227 K228 E229S223-V225 PolarHBondContact O-N 3.15Å; V225-Y227 VanDerWaalsContact C-N 3.33Å; V225-K228 PolarHBondContact O-N 2.88Å; V225-E229 WeakPolarHBondContact O-CB 3.4Å; V225-E229 PolarHBondContact O-N 3.03Å
226K84.3Confident81.4Confident78 Ų7897 Ų9734%0.33950%0.497SS..Hα-helixtrans-68.2-35.4177.7-68.6-172.1165.8179.20111.6D220 S223 K228 E229 D230D220-K226 HydrophobicContact CB-CD 3.66Å; D220-K226 WeakPolarHBondContact OD1-CE 3.29Å; D220-K226 IonicContact OD1-NZ 2.66Å; D220-K226 PolarHBondContact OD1-NZ 2.93Å; D220-K226 IonicContact OD2-NZ 2.71Å; D220-K226 PolarHBondContact OD2-NZ 3.41Å; S223-K226 PolarHBondContact O-N 3.45Å; S223-K226 VanDerWaalsContact OG-CB 3.23Å; S223-K226 WeakPolarHBondContact OG-CB 3.29Å; S223-K226 WeakPolarHBondContact OG-CG 3.41Å; S223-K226 PolarHBondContact OG-N 3.26Å; K226-K228 PolarHBondContact O-N 3.5Å; K226-E229 PolarHBondContact O-N 2.74Å; K226-D230 WeakPolarHBondContact O-CB 3.32Å; K226-D230 PolarHBondContact O-N 2.69Å
227Y81.3Confident80.9Confident174 Ų17499 Ų9968%0.68251%0.511SS*.Hα-helixtrans-58.5-45.9173.4177.8-99000112.3S223 V225 G231S223-Y227 PolarHBondContact O-N 3.24Å; V225-Y227 VanDerWaalsContact C-N 3.33Å; Y227-G231 PolarHBondContact O-N 2.71Å
228K84.7Confident80.4Confident117 Ų11795 Ų9551%0.50950%0.497SS..Hα-helixtrans-65.7-41.8175.8-73.6178-176.5172.10111.7E224 V225 K226 G231 M232E224-K228 HydrophobicContact CG-CD 4.39Å; E224-K228 WeakPolarHBondContact O-CB 3.45Å; E224-K228 WeakPolarHBondContact O-CG 3.36Å; E224-K228 PolarHBondContact O-N 2.86Å; E224-K228 WeakPolarHBondContact OE1-CE 3.29Å; E224-K228 IonicContact OE1-NZ 3.99Å; E224-K228 PolarHBondContact OE1-NZ 3.42Å; V225-K228 PolarHBondContact O-N 2.88Å; K226-K228 PolarHBondContact O-N 3.5Å; K228-G231 PolarHBondContact O-N 2.81Å; K228-M232 VanDerWaalsContact O-CG 3.32Å; K228-M232 WeakPolarHBondContact O-CG 3.46Å; K228-M232 PolarHBondContact O-N 2.91Å
229E84.9Confident79.6Confident90 Ų9097.9 Ų97.942%0.42151%0.513SS..Hα-helixtrans-62.8-46.9178-167.3-169.3159.500112V225 K226 G231 M232 K233V225-E229 WeakPolarHBondContact O-CB 3.4Å; V225-E229 PolarHBondContact O-N 3.03Å; K226-E229 PolarHBondContact O-N 2.74Å; E229-G231 VanDerWaalsContact C-N 3.31Å; E229-G231 PolarHBondContact O-N 2.66Å; E229-M232 WeakPolarHBondContact O-CB 3.46Å; E229-M232 PolarHBondContact O-N 3.47Å; E229-M232 VanDerWaalsContact O-N 3.13Å; E229-K233 WeakPolarHBondContact O-CG 3.24Å; E229-K233 PolarHBondContact O-N 3.42Å; E229-K233 WeakPolarHBondContact OE1-CE 3.44Å; E229-K233 IonicContact OE1-NZ 2.66Å; E229-K233 PolarHBondContact OE1-NZ 3.39Å; E229-K233 IonicContact OE2-NZ 2.86Å
230D82Confident78.7Confident85 Ų85103.5 Ų103.546%0.45553%0.525SS..Hα-helixtrans-69.1-31.4176.9-71.3-12.2000111.7K226 K233 S234K226-D230 WeakPolarHBondContact O-CB 3.32Å; K226-D230 PolarHBondContact O-N 2.69Å; D230-K233 PolarHBondContact O-N 3.47Å; D230-K233 IonicContact OD1-NZ 3.33Å; D230-K233 PolarHBondContact OD1-NZ 2.89Å; D230-S234 VanDerWaalsContact O-CB 3.31Å; D230-S234 WeakPolarHBondContact O-CB 3.43Å; D230-S234 PolarHBondContact O-N 2.62Å; D230-S234 PolarHBondContact O-OG 2.62Å; D230-S234 VanDerWaalsContact O-OG 3.09Å
231G80.3Confident77.9Confident30 Ų30104.3 Ų104.331%0.30954%0.535SS..Hα-helixtrans-58.3-47.7165.600000112Y227 K228 E229 S234 V235Y227-G231 PolarHBondContact O-N 2.71Å; K228-G231 PolarHBondContact O-N 2.81Å; E229-G231 VanDerWaalsContact C-N 3.31Å; E229-G231 PolarHBondContact O-N 2.66Å; G231-S234 PolarHBondContact O-N 3.36Å; G231-S234 PolarHBondContact O-OG 2.85Å; G231-V235 VanDerWaalsContact O-CG2 3.27Å; G231-V235 WeakPolarHBondContact O-CG2 3.31Å; G231-V235 PolarHBondContact O-N 3.45Å
232M77.9Confident77.2Confident145 Ų145108.7 Ų108.771%0.71454%0.542SS*.Hα-helixtrans-66.9-39.5176.6-66.8-178.277.300112.3K228 E229 V235 S236K228-M232 VanDerWaalsContact O-CG 3.32Å; K228-M232 WeakPolarHBondContact O-CG 3.46Å; K228-M232 PolarHBondContact O-N 2.91Å; E229-M232 WeakPolarHBondContact O-CB 3.46Å; E229-M232 PolarHBondContact O-N 3.47Å; E229-M232 VanDerWaalsContact O-N 3.13Å; M232-V235 PolarHBondContact O-N 2.72Å; M232-S236 WeakPolarHBondContact O-CB 3.08Å; M232-S236 PolarHBondContact O-N 3.08Å
233K80.6Confident77.2Confident85 Ų85106.9 Ų106.937%0.3754%0.537SS..Hα-helixtrans-63.7-43.6175.1-71.6169.6-172.3155.70111.7E229 D230 V235 S236 Q237E229-K233 WeakPolarHBondContact O-CG 3.24Å; E229-K233 PolarHBondContact O-N 3.42Å; E229-K233 WeakPolarHBondContact OE1-CE 3.44Å; E229-K233 IonicContact OE1-NZ 2.66Å; E229-K233 PolarHBondContact OE1-NZ 3.39Å; E229-K233 IonicContact OE2-NZ 2.86Å; D230-K233 PolarHBondContact O-N 3.47Å; D230-K233 IonicContact OD1-NZ 3.33Å; D230-K233 PolarHBondContact OD1-NZ 2.89Å; K233-V235 VanDerWaalsContact C-N 3.33Å; K233-V235 PolarHBondContact O-N 2.89Å; K233-S236 WeakPolarHBondContact CA-OG 3.22Å; K233-S236 CarbonylContact O-C 3.58Å; K233-S236 WeakPolarHBondContact O-CA 3.5Å; K233-S236 PolarHBondContact O-N 3.41Å; K233-S236 VanDerWaalsContact O-N 3.12Å; K233-S236 PolarHBondContact O-OG 3.41Å; K233-Q237 WeakPolarHBondContact O-CB 3.26Å; K233-Q237 WeakPolarHBondContact O-CG 3.25Å; K233-Q237 PolarHBondContact O-N 3.13Å
234S74.7Confident76.6Confident66 Ų66110.4 Ų110.446%0.46256%0.558SS.*Hα-helixtrans-65.5-35.6177.365.10000112.1D230 G231 Q237 S238D230-S234 VanDerWaalsContact O-CB 3.31Å; D230-S234 WeakPolarHBondContact O-CB 3.43Å; D230-S234 PolarHBondContact O-N 2.62Å; D230-S234 PolarHBondContact O-OG 2.62Å; D230-S234 VanDerWaalsContact O-OG 3.09Å; G231-S234 PolarHBondContact O-N 3.36Å; G231-S234 PolarHBondContact O-OG 2.85Å; S234-Q237 CarbonylContact O-C 3.59Å; S234-Q237 PolarHBondContact O-N 3.48Å; S234-S238 PolarHBondContact O-N 2.97Å
235V74.9Confident76.2Confident98 Ų98108.2 Ų108.259%0.59455%0.548SS*.Hα-helixtrans-64-42.8170173.10000110.9G231 M232 K233 Q237 S238G231-V235 VanDerWaalsContact O-CG2 3.27Å; G231-V235 WeakPolarHBondContact O-CG2 3.31Å; G231-V235 PolarHBondContact O-N 3.45Å; M232-V235 PolarHBondContact O-N 2.72Å; K233-V235 VanDerWaalsContact C-N 3.33Å; K233-V235 PolarHBondContact O-N 2.89Å; V235-Q237 VanDerWaalsContact C-N 3.27Å; V235-Q237 PolarHBondContact O-N 2.99Å; V235-S238 VanDerWaalsContact O-CB 3.29Å; V235-S238 WeakPolarHBondContact O-CB 3.34Å; V235-S238 PolarHBondContact O-N 3.15Å; V235-S238 PolarHBondContact O-OG 3Å
236S68.5Low76.3Confident74 Ų74106.8 Ų106.852%0.51754%0.54SS..Hα-helixtrans-72.3-15.3176.277.70000114.8M232 K233 S241M232-S236 WeakPolarHBondContact O-CB 3.08Å; M232-S236 PolarHBondContact O-N 3.08Å; K233-S236 WeakPolarHBondContact CA-OG 3.22Å; K233-S236 CarbonylContact O-C 3.58Å; K233-S236 WeakPolarHBondContact O-CA 3.5Å; K233-S236 PolarHBondContact O-N 3.41Å; K233-S236 VanDerWaalsContact O-N 3.12Å; K233-S236 PolarHBondContact O-OG 3.41Å; S236-S241 WeakPolarHBondContact O-CB 3.36Å; S236-S241 PolarHBondContact O-OG 3.07Å
237Q74.7Confident76.3Confident163 Ų163107.1 Ų107.176%0.76256%0.557SS**Hα-helixtrans-100.9-6.5173-75.3-178.6-14.400112.3K233 S234 V235K233-Q237 WeakPolarHBondContact O-CB 3.26Å; K233-Q237 WeakPolarHBondContact O-CG 3.25Å; K233-Q237 PolarHBondContact O-N 3.13Å; S234-Q237 CarbonylContact O-C 3.59Å; S234-Q237 PolarHBondContact O-N 3.48Å; V235-Q237 VanDerWaalsContact C-N 3.27Å; V235-Q237 PolarHBondContact O-N 2.99Å
238S76Confident76.3Confident37 Ų37106.3 Ų106.326%0.25956%0.56SS.*SBendtrans-61.6147.6178.375.90000109.9S234 V235 Y240 S241S234-S238 PolarHBondContact O-N 2.97Å; V235-S238 VanDerWaalsContact O-CB 3.29Å; V235-S238 WeakPolarHBondContact O-CB 3.34Å; V235-S238 PolarHBondContact O-N 3.15Å; V235-S238 PolarHBondContact O-OG 3Å; S238-Y240 PolarHBondContact O-N 2.86Å; S238-S241 WeakPolarHBondContact O-CB 3.36Å; S238-S241 PolarHBondContact O-N 3.17Å; S238-S241 PolarHBondContact O-OG 3Å
239L68.4Low76.2Confident146 Ų146104.7 Ų104.776%0.76456%0.555SS**G310 helixtrans-52.7-30.1177.9-66.9173.4000112.1S241 R242 L243L239-S241 PolarHBondContact O-N 2.91Å; L239-R242 PolarHBondContact O-N 3.41Å; L239-L243 PolarHBondContact O-N 2.81Å
240Y66.9Low76.1Confident189 Ų189105.5 Ų105.574%0.74156%0.557SS**G310 helixtrans-63.8-34.4176.7-64.5-79.4000113.8S238 R242 L243S238-Y240 PolarHBondContact O-N 2.86Å; Y240-R242 VanDerWaalsContact C-N 3.29Å; Y240-R242 PolarHBondContact O-N 3.11Å; Y240-L243 HydrophobicContact CD1-CD1 4.25Å; Y240-L243 PolarHBondContact O-N 3.4Å
241S68.1Low76.2Confident66 Ų66108.5 Ų108.546%0.46257%0.566SS.*G310 helixtrans-71.2-23177.669.10000113.9S236 S238 L239S236-S241 WeakPolarHBondContact O-CB 3.36Å; S236-S241 PolarHBondContact O-OG 3.07Å; S238-S241 WeakPolarHBondContact O-CB 3.36Å; S238-S241 PolarHBondContact O-N 3.17Å; S238-S241 PolarHBondContact O-OG 3Å; L239-S241 PolarHBondContact O-N 2.91Å
242R69.4Low76.5Confident222 Ų222111.6 Ų111.684%0.83858%0.579SS**G310 helixtrans-90.9-10.1-179.4-171.3173.2-73.7-176.3-2.1112.3L239 Y240L239-R242 PolarHBondContact O-N 3.41Å; Y240-R242 VanDerWaalsContact C-N 3.29Å; Y240-R242 PolarHBondContact O-N 3.11Å
243L76.3Confident76.8Confident104 Ų104110 Ų11055%0.54557%0.568SS.*SBendtrans-68.5143.5175.2-69.5173.2000110.2L239 Y240 E245L239-L243 PolarHBondContact O-N 2.81Å; Y240-L243 HydrophobicContact CD1-CD1 4.25Å; Y240-L243 PolarHBondContact O-N 3.4Å; L243-E245 PolarHBondContact O-N 3.24Å
244P73.5Confident76.9Confident108 Ų108110.7 Ų110.770%0.70158%0.576SS**  trans-55.6131.6174-20.630.9000110.5T246P244-T246 PolarHBondContact O-N 3.33Å
245E72.4Confident77.4Confident83 Ų83109.8 Ų109.839%0.38857%0.567SS.*  trans-62.2109.5177.8-132.5177.4-159.800108.9L243 M249 K250 K253L243-E245 PolarHBondContact O-N 3.24Å; E245-M249 HydrophobicContact CB-CE 4.35Å; E245-M249 HydrophobicContact CG-CB 4.26Å; E245-M249 HydrophobicContact CG-CE 3.8Å; E245-M249 HydrophobicContact CG-CG 4.06Å; E245-K250 HydrophobicContact CB-CG 4.35Å; E245-K250 HydrophobicContact CG-CG 4.14Å; E245-K250 WeakPolarHBondContact OE2-CE 3.5Å; E245-K253 IonicContact OE1-NZ 3.18Å; E245-K253 PolarHBondContact OE1-NZ 2.9Å
246T83.7Confident77.8Confident83 Ų83108.4 Ų108.451%0.50956%0.562SS.*  trans-69.4156.7175.961.90000110P244 Q248 M249 K250P244-T246 PolarHBondContact O-N 3.33Å; T246-Q248 PolarHBondContact O-N 2.73Å; T246-M249 PolarHBondContact O-N 3.11Å; T246-M249 PolarHBondContact OG1-N 3.02Å; T246-K250 PolarHBondContact O-N 3.09Å; T246-K250 VanDerWaalsContact O-N 3.14Å
247A83.5Confident78.5Confident84 Ų84109 Ų10969%0.69456%0.557SS**Hα-helixtrans-55.9-35.7178.900000112.6K250 F251A247-K250 PolarHBondContact O-N 2.81Å; A247-F251 PolarHBondContact O-N 3.13Å; A247-F251 VanDerWaalsContact O-N 3.08Å
248Q80.6Confident78.6Confident158 Ų158108.2 Ų108.274%0.73856%0.557SS**Hα-helixtrans-66.9-37.9175.4-66.7175.47.400112.3T246 K250 F251 V252T246-Q248 PolarHBondContact O-N 2.73Å; Q248-K250 VanDerWaalsContact C-N 3.35Å; Q248-F251 PolarHBondContact O-N 3.4Å; Q248-V252 VanDerWaalsContact O-CG2 3.29Å; Q248-V252 WeakPolarHBondContact O-CG2 3.16Å; Q248-V252 PolarHBondContact O-N 3.28Å
249M82.9Confident78.3Confident83 Ų83113.5 Ų113.541%0.40958%0.577SS.*Hα-helixtrans-68.1-36.1178.4-170.9146.966.600111.9E245 T246 K253E245-M249 HydrophobicContact CB-CE 4.35Å; E245-M249 HydrophobicContact CG-CB 4.26Å; E245-M249 HydrophobicContact CG-CE 3.8Å; E245-M249 HydrophobicContact CG-CG 4.06Å; T246-M249 PolarHBondContact O-N 3.11Å; T246-M249 PolarHBondContact OG1-N 3.02Å; M249-K253 WeakPolarHBondContact O-CB 3.38Å; M249-K253 PolarHBondContact O-N 3.49Å
250K83.2Confident78.8Confident107 Ų107108.5 Ų108.547%0.46556%0.555SS.*Hα-helixtrans-63.7-47.9171.5-67.7-171.5178.3-176.40111.7E245 T246 A247 Q248 V252 K253 D254E245-K250 HydrophobicContact CB-CG 4.35Å; E245-K250 HydrophobicContact CG-CG 4.14Å; E245-K250 WeakPolarHBondContact OE2-CE 3.5Å; T246-K250 PolarHBondContact O-N 3.09Å; T246-K250 VanDerWaalsContact O-N 3.14Å; A247-K250 PolarHBondContact O-N 2.81Å; Q248-K250 VanDerWaalsContact C-N 3.35Å; K250-V252 PolarHBondContact O-N 3.38Å; K250-K253 WeakPolarHBondContact O-CB 3.37Å; K250-K253 PolarHBondContact O-N 3.12Å; K250-K253 VanDerWaalsContact O-N 3.12Å; K250-D254 VanDerWaalsContact O-CG 3.22Å; K250-D254 PolarHBondContact O-N 3.42Å
251F84.9Confident78.7Confident147 Ų147105.6 Ų105.665%0.64555%0.548SS*.Hα-helixtrans-57.1-46.7176.2178.3-100.6000112.4A247 Q248 K253 D254 V255A247-F251 PolarHBondContact O-N 3.13Å; A247-F251 VanDerWaalsContact O-N 3.08Å; Q248-F251 PolarHBondContact O-N 3.4Å; F251-K253 VanDerWaalsContact C-N 3.29Å; F251-K253 PolarHBondContact O-N 3.08Å; F251-D254 PolarHBondContact O-N 2.95Å; F251-V255 HydrophobicContact CD1-CG2 4.21Å; F251-V255 HydrophobicContact CD2-CG2 4.32Å; F251-V255 HydrophobicContact CE1-CG2 3.82Å; F251-V255 HydrophobicContact CE2-CG2 3.93Å; F251-V255 HydrophobicContact CG-CG2 4.46Å; F251-V255 HydrophobicContact CZ-CG2 3.67Å; F251-V255 WeakPolarHBondContact O-CB 3.29Å; F251-V255 VanDerWaalsContact O-CG2 3.26Å; F251-V255 WeakPolarHBondContact O-CG2 3.33Å; F251-V255 PolarHBondContact O-N 3.43Å
252V85Confident78.7Confident96 Ų96110.1 Ų110.158%0.58256%0.564SS**Hα-helixtrans-61.6-38.2177.3170.40000111.8Q248 K250 S256Q248-V252 VanDerWaalsContact O-CG2 3.29Å; Q248-V252 WeakPolarHBondContact O-CG2 3.16Å; Q248-V252 PolarHBondContact O-N 3.28Å; K250-V252 PolarHBondContact O-N 3.38Å; V252-S256 WeakPolarHBondContact O-CB 3.32Å; V252-S256 PolarHBondContact O-N 3.44Å
253K84.9Confident78.6Confident111 Ų111103.7 Ų103.748%0.48354%0.542SS..Hα-helixtrans-67.6-44177.4-172-179.1-174.8-179.70111.9E245 M249 K250 F251 S256 E257E245-K253 IonicContact OE1-NZ 3.18Å; E245-K253 PolarHBondContact OE1-NZ 2.9Å; M249-K253 WeakPolarHBondContact O-CB 3.38Å; M249-K253 PolarHBondContact O-N 3.49Å; K250-K253 WeakPolarHBondContact O-CB 3.37Å; K250-K253 PolarHBondContact O-N 3.12Å; K250-K253 VanDerWaalsContact O-N 3.12Å; F251-K253 VanDerWaalsContact C-N 3.29Å; F251-K253 PolarHBondContact O-N 3.08Å; K253-S256 PolarHBondContact O-N 3.35Å; K253-E257 WeakPolarHBondContact O-CB 3.23Å; K253-E257 PolarHBondContact O-N 2.89Å
254D83Confident77.9Confident99 Ų99106.1 Ų106.153%0.52955%0.545SS..Hα-helixtrans-65.9-41.7178-63.8-18.1000111.1K250 F251 E257 L258K250-D254 VanDerWaalsContact O-CG 3.22Å; K250-D254 PolarHBondContact O-N 3.42Å; F251-D254 PolarHBondContact O-N 2.95Å; D254-E257 PolarHBondContact O-N 2.89Å; D254-L258 WeakPolarHBondContact O-CB 3.44Å; D254-L258 PolarHBondContact O-N 3.42Å
255V84.9Confident77.7Confident48 Ų48106 Ų10629%0.29153%0.533SS..Hα-helixtrans-63.4-42.4173.7171.30000111.2F251 L258 Q259F251-V255 HydrophobicContact CD1-CG2 4.21Å; F251-V255 HydrophobicContact CD2-CG2 4.32Å; F251-V255 HydrophobicContact CE1-CG2 3.82Å; F251-V255 HydrophobicContact CE2-CG2 3.93Å; F251-V255 HydrophobicContact CG-CG2 4.46Å; F251-V255 HydrophobicContact CZ-CG2 3.67Å; F251-V255 WeakPolarHBondContact O-CB 3.29Å; F251-V255 VanDerWaalsContact O-CG2 3.26Å; F251-V255 WeakPolarHBondContact O-CG2 3.33Å; F251-V255 PolarHBondContact O-N 3.43Å; V255-L258 PolarHBondContact O-N 2.88Å; V255-Q259 HydrophobicContact CG1-CG 4.46Å; V255-Q259 WeakPolarHBondContact O-CB 3.38Å; V255-Q259 VanDerWaalsContact O-CG 3.27Å; V255-Q259 WeakPolarHBondContact O-CG 3.49Å; V255-Q259 PolarHBondContact O-N 3.26Å
256S83.9Confident77.6Confident69 Ų69106.6 Ų106.648%0.48354%0.536SS..Hα-helixtrans-65.2-39.8176.6-177.20000112.2V252 K253 Q259 S260V252-S256 WeakPolarHBondContact O-CB 3.32Å; V252-S256 PolarHBondContact O-N 3.44Å; K253-S256 PolarHBondContact O-N 3.35Å; S256-Q259 PolarHBondContact O-N 2.77Å; S256-S260 PolarHBondContact O-N 3.15Å
257E81.8Confident76.7Confident86 Ų86107 Ų10740%0.40254%0.535SS..Hα-helixtrans-63.5-43.2174.9-176.3167.6-177.200111.3K253 D254 S260 K263K253-E257 WeakPolarHBondContact O-CB 3.23Å; K253-E257 PolarHBondContact O-N 2.89Å; D254-E257 PolarHBondContact O-N 2.89Å; E257-S260 WeakPolarHBondContact O-CB 3.36Å; E257-S260 PolarHBondContact O-N 3.45Å; E257-S260 PolarHBondContact O-OG 2.86Å; E257-K263 HydrophobicContact CG-CD 4.33Å; E257-K263 HydrophobicContact CG-CG 4.19Å; E257-K263 VanDerWaalsContact OE1-CE 3.25Å; E257-K263 WeakPolarHBondContact OE1-CE 3.48Å; E257-K263 IonicContact OE1-NZ 3.82Å; E257-K263 PolarHBondContact OE1-NZ 3.27Å
258L77.1Confident75.8Confident147 Ų147109 Ų10977%0.7753%0.525SS*.Hα-helixtrans-64.5-38.5175.7-168.672.7000112.5D254 V255 S260D254-L258 WeakPolarHBondContact O-CB 3.44Å; D254-L258 PolarHBondContact O-N 3.42Å; V255-L258 PolarHBondContact O-N 2.88Å; L258-S260 VanDerWaalsContact C-N 3.26Å; L258-S260 PolarHBondContact O-N 2.92Å
259Q70.9Confident75Confident147 Ų147108.3 Ų108.369%0.68752%0.52SS*.Hα-helixtrans-71.7-19.8175.2-74.6178.5-1.200113.1V255 S256 E261V255-Q259 HydrophobicContact CG1-CG 4.46Å; V255-Q259 WeakPolarHBondContact O-CB 3.38Å; V255-Q259 VanDerWaalsContact O-CG 3.27Å; V255-Q259 WeakPolarHBondContact O-CG 3.49Å; V255-Q259 PolarHBondContact O-N 3.26Å; S256-Q259 PolarHBondContact O-N 2.77Å; Q259-E261 PolarHBondContact O-N 3.11Å
260S78.2Confident74Confident42 Ų42109.3 Ų109.329%0.29452%0.523SS..  trans-68.8109.3-179.379.90000110.6S256 E257 L258 M262 K263 Y264S256-S260 PolarHBondContact O-N 3.15Å; E257-S260 WeakPolarHBondContact O-CB 3.36Å; E257-S260 PolarHBondContact O-N 3.45Å; E257-S260 PolarHBondContact O-OG 2.86Å; L258-S260 VanDerWaalsContact C-N 3.26Å; L258-S260 PolarHBondContact O-N 2.92Å; S260-M262 PolarHBondContact O-N 3.05Å; S260-K263 PolarHBondContact O-N 3.45Å; S260-K263 VanDerWaalsContact O-N 3.09Å; S260-K263 WeakPolarHBondContact OG-CB 3.33Å; S260-K263 WeakPolarHBondContact OG-CG 3.18Å; S260-Y264 PolarHBondContact O-N 3.03Å
261E65Low73Confident127 Ų127108 Ų10859%0.59353%0.533SS*.Hα-helixtrans-58-24.2-179-69.6-169.7-17500113.4Q259 K265Q259-E261 PolarHBondContact O-N 3.11Å; E261-K265 VanDerWaalsContact O-CB 3.24Å; E261-K265 WeakPolarHBondContact O-CB 3.47Å; E261-K265 WeakPolarHBondContact O-CD 3.48Å; E261-K265 WeakPolarHBondContact O-CG 3.28Å; E261-K265 PolarHBondContact O-N 3.17Å; E261-K265 IonicContact OE2-NZ 2.67Å; E261-K265 PolarHBondContact OE2-NZ 3.41Å
262M67Low71.7Confident161 Ų161104.8 Ų104.879%0.79353%0.528SS*.Hα-helixtrans-66.5-44.1178-72.2-167.86400112S260 Q266S260-M262 PolarHBondContact O-N 3.05Å; M262-Q266 VanDerWaalsContact O-CB 3.31Å; M262-Q266 WeakPolarHBondContact O-CB 3.45Å; M262-Q266 PolarHBondContact O-N 3.46Å
263K67.5Low70.5Confident87 Ų87108.4 Ų108.438%0.37853%0.532SS..Hα-helixtrans-68.5-45.8176.1-75.6-89.9-175.6150.70110.7E257 S260 K265 Q266 D267E257-K263 HydrophobicContact CG-CD 4.33Å; E257-K263 HydrophobicContact CG-CG 4.19Å; E257-K263 VanDerWaalsContact OE1-CE 3.25Å; E257-K263 WeakPolarHBondContact OE1-CE 3.48Å; E257-K263 IonicContact OE1-NZ 3.82Å; E257-K263 PolarHBondContact OE1-NZ 3.27Å; S260-K263 PolarHBondContact O-N 3.45Å; S260-K263 VanDerWaalsContact O-N 3.09Å; S260-K263 WeakPolarHBondContact OG-CB 3.33Å; S260-K263 WeakPolarHBondContact OG-CG 3.18Å; K263-K265 VanDerWaalsContact C-N 3.3Å; K263-K265 PolarHBondContact O-N 3.05Å; K263-Q266 CarbonylContact O-C 3.48Å; K263-Q266 WeakPolarHBondContact O-CA 3.39Å; K263-Q266 WeakPolarHBondContact O-CB 3.21Å; K263-Q266 PolarHBondContact O-N 3.12Å; K263-D267 PolarHBondContact O-N 2.98Å
264Y61.4Low69.3Low156 Ų156106.8 Ų106.861%0.61253%0.534SS*.Hα-helixtrans-56.8-42.1175-178.9-108.7000113S260 R268S260-Y264 PolarHBondContact O-N 3.03Å; Y264-R268 VanDerWaalsContact O-CB 3.24Å; Y264-R268 WeakPolarHBondContact O-CB 3.5Å; Y264-R268 PolarHBondContact O-N 3.05Å
265K69.8Low68.2Low104 Ų104108.8 Ų108.845%0.45254%0.544SS..Hα-helixtrans-72.9-29.6176-72.7168.2-175.9160.10112.5E261 K263 K269E261-K265 VanDerWaalsContact O-CB 3.24Å; E261-K265 WeakPolarHBondContact O-CB 3.47Å; E261-K265 WeakPolarHBondContact O-CD 3.48Å; E261-K265 WeakPolarHBondContact O-CG 3.28Å; E261-K265 PolarHBondContact O-N 3.17Å; E261-K265 IonicContact OE2-NZ 2.67Å; E261-K265 PolarHBondContact OE2-NZ 3.41Å; K263-K265 VanDerWaalsContact C-N 3.3Å; K263-K265 PolarHBondContact O-N 3.05Å; K265-K269 WeakPolarHBondContact O-CB 3.27Å; K265-K269 VanDerWaalsContact O-CG 3.25Å; K265-K269 WeakPolarHBondContact O-CG 3.42Å; K265-K269 PolarHBondContact O-N 3.45Å; K265-K269 VanDerWaalsContact O-N 3.07Å
266Q70.9Confident67Low96 Ų96111 Ų11145%0.44955%0.55SS..Hα-helixtrans-70.2-50.2174.8178.6172.9-15.700110.6M262 K263 R268 K269 E270M262-Q266 VanDerWaalsContact O-CB 3.31Å; M262-Q266 WeakPolarHBondContact O-CB 3.45Å; M262-Q266 PolarHBondContact O-N 3.46Å; K263-Q266 CarbonylContact O-C 3.48Å; K263-Q266 WeakPolarHBondContact O-CA 3.39Å; K263-Q266 WeakPolarHBondContact O-CB 3.21Å; K263-Q266 PolarHBondContact O-N 3.12Å; Q266-R268 VanDerWaalsContact C-N 3.29Å; Q266-R268 PolarHBondContact O-N 2.99Å; Q266-K269 CarbonylContact O-C 3.53Å; Q266-K269 WeakPolarHBondContact O-CA 3.46Å; Q266-K269 WeakPolarHBondContact O-CB 3.34Å; Q266-K269 PolarHBondContact O-N 2.91Å; Q266-E270 HydrophobicContact CG-CG 4.47Å; Q266-E270 VanDerWaalsContact CG-OE1 3.28Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.36Å; Q266-E270 PolarHBondContact NE2-OE1 3.26Å; Q266-E270 WeakPolarHBondContact O-CG 3.49Å; Q266-E270 PolarHBondContact O-N 2.92Å
267D63.7Low66Low93 Ų93111.6 Ų111.650%0.49755%0.554SS.*Hα-helixtrans-61.8-39.3177.1-67.2-8.7000110.8K263 K269 E270 A271K263-D267 PolarHBondContact O-N 2.98Å; D267-K269 VanDerWaalsContact C-N 3.32Å; D267-K269 PolarHBondContact O-N 3.39Å; D267-E270 PolarHBondContact O-N 3.11Å; D267-A271 WeakPolarHBondContact O-CB 3.31Å; D267-A271 PolarHBondContact O-N 3.39Å
268R65.9Low65.2Low125 Ų125112.7 Ų112.747%0.47257%0.567SS.*Hα-helixtrans-62.5-36.3171.5-176.5179.2174.8-168.52.2112.8Y264 Q266 S272Y264-R268 VanDerWaalsContact O-CB 3.24Å; Y264-R268 WeakPolarHBondContact O-CB 3.5Å; Y264-R268 PolarHBondContact O-N 3.05Å; Q266-R268 VanDerWaalsContact C-N 3.29Å; Q266-R268 PolarHBondContact O-N 2.99Å; R268-S272 WeakPolarHBondContact O-CB 3.28Å; R268-S272 PolarHBondContact O-N 2.94Å; R268-S272 PolarHBondContact O-OG 3.05Å
269K62.4Low64.8Low144 Ų144110.6 Ų110.663%0.62656%0.556SS**Hα-helixtrans-72-40.6176.6-81.1173-177.7177.30111.3K265 Q266 D267 S272 R273K265-K269 WeakPolarHBondContact O-CB 3.27Å; K265-K269 VanDerWaalsContact O-CG 3.25Å; K265-K269 WeakPolarHBondContact O-CG 3.42Å; K265-K269 PolarHBondContact O-N 3.45Å; K265-K269 VanDerWaalsContact O-N 3.07Å; Q266-K269 CarbonylContact O-C 3.53Å; Q266-K269 WeakPolarHBondContact O-CA 3.46Å; Q266-K269 WeakPolarHBondContact O-CB 3.34Å; Q266-K269 PolarHBondContact O-N 2.91Å; D267-K269 VanDerWaalsContact C-N 3.32Å; D267-K269 PolarHBondContact O-N 3.39Å; K269-S272 WeakPolarHBondContact CA-OG 3.42Å; K269-S272 PolarHBondContact O-N 3.5Å; K269-S272 PolarHBondContact O-OG 3.02Å; K269-R273 PolarHBondContact O-N 3.27Å; K269-R273 VanDerWaalsContact O-N 3.12Å
270E63.3Low64.9Low103 Ų103108.4 Ų108.448%0.48155%0.554SS.*Hα-helixtrans-68.1-41.7176.4-70.4179-162.200111.1Q266 D267 S272 R273Q266-E270 HydrophobicContact CG-CG 4.47Å; Q266-E270 VanDerWaalsContact CG-OE1 3.28Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.36Å; Q266-E270 PolarHBondContact NE2-OE1 3.26Å; Q266-E270 WeakPolarHBondContact O-CG 3.49Å; Q266-E270 PolarHBondContact O-N 2.92Å; D267-E270 PolarHBondContact O-N 3.11Å; E270-S272 VanDerWaalsContact C-N 3.29Å; E270-S272 PolarHBondContact O-N 3.24Å; E270-R273 WeakPolarHBondContact O-CB 3.44Å; E270-R273 PolarHBondContact O-N 3.34Å
271A61.6Low64.4Low81 Ų81112.7 Ų112.767%0.66957%0.57SS**Hα-helixtrans-68-25.8171.100000113.1D267 R273D267-A271 WeakPolarHBondContact O-CB 3.31Å; D267-A271 PolarHBondContact O-N 3.39Å; A271-R273 VanDerWaalsContact C-N 3.34Å
272S58.2Low65.3Low79 Ų79110.1 Ų110.155%0.55256%0.563SS**THydrogen-bonded Turntrans-81.6-10.7173.875.60000114R268 K269 E270 S274R268-S272 WeakPolarHBondContact O-CB 3.28Å; R268-S272 PolarHBondContact O-N 2.94Å; R268-S272 PolarHBondContact O-OG 3.05Å; K269-S272 WeakPolarHBondContact CA-OG 3.42Å; K269-S272 PolarHBondContact O-N 3.5Å; K269-S272 PolarHBondContact O-OG 3.02Å; E270-S272 VanDerWaalsContact C-N 3.29Å; E270-S272 PolarHBondContact O-N 3.24Å; S272-S274 VanDerWaalsContact C-N 3.28Å; S272-S274 PolarHBondContact O-N 3.16Å
273R59.2Low65.9Low172 Ų172109 Ų10965%0.64956%0.56SS**SBendtrans-67.1101.8159.4-74.8-177.4145.891.7-1.3105.1K269 E270 A271 L275K269-R273 PolarHBondContact O-N 3.27Å; K269-R273 VanDerWaalsContact O-N 3.12Å; E270-R273 WeakPolarHBondContact O-CB 3.44Å; E270-R273 PolarHBondContact O-N 3.34Å; A271-R273 VanDerWaalsContact C-N 3.34Å; R273-L275 PolarHBondContact O-N 3.22Å; R273-L275 VanDerWaalsContact O-N 3.15Å
274S59.2Low66.4Low76 Ų76112.2 Ų112.253%0.53158%0.576SS.*  trans-40.6126.1174.7171.40000108.6S272 F276 S277S272-S274 VanDerWaalsContact C-N 3.28Å; S272-S274 PolarHBondContact O-N 3.16Å; S274-F276 PolarHBondContact O-N 2.58Å; S274-F276 WeakPolarHBondContact OG-CB 3.42Å; S274-F276 PolarHBondContact OG-N 2.98Å; S274-S277 PolarHBondContact O-N 2.88Å
275L60.3Low67.3Low141 Ų141105.8 Ų105.874%0.73855%0.553SS**G310 helixtrans-50.9-17.5175.3-62.2172000111.7R273 S277 T278 L279R273-L275 PolarHBondContact O-N 3.22Å; R273-L275 VanDerWaalsContact O-N 3.15Å; L275-S277 VanDerWaalsContact C-N 3.32Å; L275-S277 PolarHBondContact O-N 2.93Å; L275-T278 PolarHBondContact O-N 3.32Å; L275-T278 PolarHBondContact O-OG1 2.92Å; L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 2.76Å
276F59.8Low67.8Low95 Ų95103.8 Ų103.842%0.41755%0.546SS..G310 helixtrans-61.4-29.2170.2-165.9-104.8000115S274 T278 L279 T285 K289S274-F276 PolarHBondContact O-N 2.58Å; S274-F276 WeakPolarHBondContact OG-CB 3.42Å; S274-F276 PolarHBondContact OG-N 2.98Å; F276-T278 VanDerWaalsContact C-N 3.31Å; F276-L279 HydrophobicContact CD2-CD1 4.41Å; F276-T285 HydrophobicContact CE2-CG2 3.92Å; F276-T285 HydrophobicContact CZ-CG2 4.03Å; F276-K289 HydrophobicContact CE1-CG 4.48Å
277S63.3Low68.4Low82 Ų82104.9 Ų104.957%0.57355%0.552SS**G310 helixtrans-78.6-16.3179.394.20000113.4S274 L275S274-S277 PolarHBondContact O-N 2.88Å; L275-S277 VanDerWaalsContact C-N 3.32Å; L275-S277 PolarHBondContact O-N 2.93Å
278T64.6Low69.2Low109 Ų109103 Ų10367%0.66955%0.548SS*.THydrogen-bonded Turntrans-98.3-9.5178.856.40000112.2L275 F276L275-T278 PolarHBondContact O-N 3.32Å; L275-T278 PolarHBondContact O-OG1 2.92Å; F276-T278 VanDerWaalsContact C-N 3.31Å
279L69.1Low70Confident102 Ų102100.9 Ų100.953%0.53454%0.543SS..SBendtrans-72139.9172.9-71.5172.8000110.6L275 F276 E281L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 2.76Å; F276-L279 HydrophobicContact CD2-CD1 4.41Å; L279-E281 PolarHBondContact O-N 2.86Å
280P72.6Confident70.9Confident102 Ų10299.7 Ų99.766%0.66254%0.539SS*.  trans-54.9134.6171.4-21.931.6000110.6T282P280-T282 VanDerWaalsContact C-N 3.33Å; P280-T282 PolarHBondContact O-N 3.34Å
281E68.4Low71.9Confident131 Ų13198.5 Ų98.561%0.61254%0.539SS*.  trans-66.993175.7-72.8-171.8150.400110L279 T285 I286 K289L279-E281 PolarHBondContact O-N 2.86Å; E281-T285 WeakPolarHBondContact CA-OG1 3.44Å; E281-I286 HydrophobicContact CB-CG1 4.47Å; E281-K289 IonicContact OE1-NZ 2.85Å; E281-K289 PolarHBondContact OE1-NZ 3.11Å
282T82.8Confident72.7Confident73 Ų7398.2 Ų98.245%0.44853%0.532SS..  trans-80.8158.4169.361.30000109.6P280 E284 T285 I286P280-T282 VanDerWaalsContact C-N 3.33Å; P280-T282 PolarHBondContact O-N 3.34Å; T282-E284 PolarHBondContact O-N 3.09Å; T282-E284 VanDerWaalsContact O-N 3.13Å; T282-T285 PolarHBondContact N-OG1 3.18Å; T282-T285 PolarHBondContact O-N 2.72Å; T282-T285 PolarHBondContact O-OG1 2.87Å; T282-T285 WeakPolarHBondContact OG1-CG2 3.25Å; T282-I286 PolarHBondContact O-N 3.44Å; T282-I286 VanDerWaalsContact O-N 3.1Å
283L80.1Confident73.5Confident139 Ų13998.2 Ų98.273%0.72853%0.526SS*.Hα-helixtrans-53-36.1177.9-73.4168.6000112.7I286 Q287L283-I286 PolarHBondContact O-N 3.04Å; L283-Q287 WeakPolarHBondContact O-CG 3.5Å; L283-Q287 PolarHBondContact O-N 2.63Å
284E77.8Confident74.4Confident154 Ų15496.6 Ų96.672%0.7253%0.529SS*.Hα-helixtrans-66.6-39176.4-67.9-179.9176.100112.4T282 I286 Q287 A288T282-E284 PolarHBondContact O-N 3.09Å; T282-E284 VanDerWaalsContact O-N 3.13Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.06Å; E284-Q287 PolarHBondContact O-N 3.43Å; E284-A288 WeakPolarHBondContact O-CB 3.38Å; E284-A288 PolarHBondContact O-N 3.47Å
285T80.3Confident75.1Confident21 Ų2199 Ų9913%0.12954%0.535CS..Hα-helixtrans-68.5-32.5176.263.30000112.4F276 E281 T282 K289F276-T285 HydrophobicContact CE2-CG2 3.92Å; F276-T285 HydrophobicContact CZ-CG2 4.03Å; E281-T285 WeakPolarHBondContact CA-OG1 3.44Å; T282-T285 PolarHBondContact N-OG1 3.18Å; T282-T285 PolarHBondContact O-N 2.72Å; T282-T285 PolarHBondContact O-OG1 2.87Å; T282-T285 WeakPolarHBondContact OG1-CG2 3.25Å; T285-K289 VanDerWaalsContact O-CG 3.27Å; T285-K289 WeakPolarHBondContact O-CG 3.47Å; T285-K289 PolarHBondContact O-N 3.17Å
286I80.9Confident76.1Confident62 Ų6295.2 Ų95.232%0.31852%0.516SS..Hα-helixtrans-67.8-48.1174.5-63.3170.7000109.6E281 T282 L283 E284 A288 K289 E290E281-I286 HydrophobicContact CB-CG1 4.47Å; T282-I286 PolarHBondContact O-N 3.44Å; T282-I286 VanDerWaalsContact O-N 3.1Å; L283-I286 PolarHBondContact O-N 3.04Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.06Å; I286-A288 VanDerWaalsContact C-N 3.33Å; I286-A288 PolarHBondContact O-N 2.92Å; I286-K289 WeakPolarHBondContact O-CB 3.43Å; I286-K289 PolarHBondContact O-N 3.37Å; I286-K289 VanDerWaalsContact O-N 3.15Å; I286-E290 PolarHBondContact O-N 2.99Å
287Q83.3Confident76.7Confident119 Ų11996.4 Ų96.456%0.55652%0.522SS*.Hα-helixtrans-60-42.1175.9-72.3178.1-1.700112L283 E284 K289 E290 V291L283-Q287 WeakPolarHBondContact O-CG 3.5Å; L283-Q287 PolarHBondContact O-N 2.63Å; E284-Q287 PolarHBondContact O-N 3.43Å; Q287-K289 VanDerWaalsContact C-N 3.33Å; Q287-K289 PolarHBondContact O-N 2.73Å; Q287-E290 PolarHBondContact O-N 2.95Å; Q287-V291 WeakPolarHBondContact O-CB 3.36Å; Q287-V291 VanDerWaalsContact O-CG2 3.26Å; Q287-V291 WeakPolarHBondContact O-CG2 3.39Å; Q287-V291 PolarHBondContact O-N 3.46Å
288A81.1Confident77.2Confident52 Ų5297.4 Ų97.443%0.4353%0.525SS..Hα-helixtrans-63.9-37.1176.300000112.5E284 I286 S292E284-A288 WeakPolarHBondContact O-CB 3.38Å; E284-A288 PolarHBondContact O-N 3.47Å; I286-A288 VanDerWaalsContact C-N 3.33Å; I286-A288 PolarHBondContact O-N 2.92Å; A288-S292 VanDerWaalsContact O-CB 3.23Å; A288-S292 WeakPolarHBondContact O-CB 3.45Å; A288-S292 PolarHBondContact O-N 2.88Å
289K80.9Confident77.5Confident81 Ų8196.4 Ų96.435%0.35251%0.511SS..Hα-helixtrans-64.6-46.8173.5-76175.4-174.6-174.40111.5F276 E281 T285 I286 Q287 S292 D293F276-K289 HydrophobicContact CE1-CG 4.48Å; E281-K289 IonicContact OE1-NZ 2.85Å; E281-K289 PolarHBondContact OE1-NZ 3.11Å; T285-K289 VanDerWaalsContact O-CG 3.27Å; T285-K289 WeakPolarHBondContact O-CG 3.47Å; T285-K289 PolarHBondContact O-N 3.17Å; I286-K289 WeakPolarHBondContact O-CB 3.43Å; I286-K289 PolarHBondContact O-N 3.37Å; I286-K289 VanDerWaalsContact O-N 3.15Å; Q287-K289 VanDerWaalsContact C-N 3.33Å; Q287-K289 PolarHBondContact O-N 2.73Å; K289-S292 PolarHBondContact O-N 2.66Å; K289-D293 WeakPolarHBondContact O-CB 3.35Å; K289-D293 PolarHBondContact O-N 2.86Å
290E82.4Confident77.6Confident119 Ų11999.7 Ų99.756%0.55652%0.518SS*.Hα-helixtrans-61.7-44.5177.2-71.3177178.500111.8I286 Q287 D293 L294I286-E290 PolarHBondContact O-N 2.99Å; Q287-E290 PolarHBondContact O-N 2.95Å; E290-D293 PolarHBondContact O-N 3.07Å; E290-L294 WeakPolarHBondContact O-CG 3.38Å; E290-L294 PolarHBondContact O-N 3.22Å
291V83.2Confident77.8Confident79 Ų79100.1 Ų100.148%0.47951%0.509SS..Hα-helixtrans-63.9-42.6175.6170.80000111Q287 D293 L294 I295Q287-V291 WeakPolarHBondContact O-CB 3.36Å; Q287-V291 VanDerWaalsContact O-CG2 3.26Å; Q287-V291 WeakPolarHBondContact O-CG2 3.39Å; Q287-V291 PolarHBondContact O-N 3.46Å; V291-D293 VanDerWaalsContact C-N 3.28Å; V291-D293 PolarHBondContact O-N 3.23Å; V291-L294 PolarHBondContact O-N 3.42Å; V291-I295 HydrophobicContact CG1-CD1 3.57Å; V291-I295 HydrophobicContact CG1-CG1 4.33Å; V291-I295 WeakPolarHBondContact O-CB 3.27Å; V291-I295 VanDerWaalsContact O-CG1 3.24Å; V291-I295 WeakPolarHBondContact O-CG1 3.48Å; V291-I295 PolarHBondContact O-N 2.78Å
292S79.8Confident78.2Confident74 Ų7498.7 Ų98.752%0.51750%0.502SS..Hα-helixtrans-63.1-35.9175.4-176.40000112.2A288 K289 N296A288-S292 VanDerWaalsContact O-CB 3.23Å; A288-S292 WeakPolarHBondContact O-CB 3.45Å; A288-S292 PolarHBondContact O-N 2.88Å; K289-S292 PolarHBondContact O-N 2.66Å; S292-N296 WeakPolarHBondContact O-CB 3.46Å; S292-N296 PolarHBondContact O-N 3.02Å
293D75.3Confident77.8Confident79 Ų7999.1 Ų99.142%0.42250%0.502SS..Hα-helixtrans-70.8-34.9176.3-88.5-28.8000112.3K289 E290 V291 N296 K299K289-D293 WeakPolarHBondContact O-CB 3.35Å; K289-D293 PolarHBondContact O-N 2.86Å; E290-D293 PolarHBondContact O-N 3.07Å; V291-D293 VanDerWaalsContact C-N 3.28Å; V291-D293 PolarHBondContact O-N 3.23Å; D293-N296 VanDerWaalsContact O-CB 3.31Å; D293-N296 WeakPolarHBondContact O-CB 3.24Å; D293-N296 PolarHBondContact O-N 3.21Å; D293-K299 IonicContact OD1-NZ 2.68Å; D293-K299 PolarHBondContact OD1-NZ 2.9Å; D293-K299 IonicContact OD2-NZ 2.57Å; D293-K299 PolarHBondContact OD2-NZ 2.92Å
294L76.6Confident77.5Confident138 Ų13894.5 Ų94.572%0.72349%0.488SS*.Hα-helixtrans-70.7-37.4172.8-71.6171.4000112.5E290 V291 N296E290-L294 WeakPolarHBondContact O-CG 3.38Å; E290-L294 PolarHBondContact O-N 3.22Å; V291-L294 PolarHBondContact O-N 3.42Å; L294-N296 PolarHBondContact O-N 3.18Å
295I75.7Confident77.2Confident127 Ų12794 Ų9465%0.65148%0.483SS*.Hα-helixtrans-74.7-16176-66.5168.6000111.3V291 E297V291-I295 HydrophobicContact CG1-CD1 3.57Å; V291-I295 HydrophobicContact CG1-CG1 4.33Å; V291-I295 WeakPolarHBondContact O-CB 3.27Å; V291-I295 VanDerWaalsContact O-CG1 3.24Å; V291-I295 WeakPolarHBondContact O-CG1 3.48Å; V291-I295 PolarHBondContact O-N 2.78Å; I295-E297 PolarHBondContact O-N 3.48Å
296N80.6Confident76.8Confident62 Ų6297.7 Ų97.733%0.33250%0.497SS..  trans-63.298.9179.1-169.8-11000110.7S292 D293 L294 V298 K299 Y300S292-N296 WeakPolarHBondContact O-CB 3.46Å; S292-N296 PolarHBondContact O-N 3.02Å; D293-N296 VanDerWaalsContact O-CB 3.31Å; D293-N296 WeakPolarHBondContact O-CB 3.24Å; D293-N296 PolarHBondContact O-N 3.21Å; L294-N296 PolarHBondContact O-N 3.18Å; N296-V298 PolarHBondContact O-N 3.13Å; N296-V298 PolarHBondContact OD1-N 3.07Å; N296-K299 HydrophobicContact CB-CD 4.38Å; N296-K299 HydrophobicContact CB-CG 4.45Å; N296-K299 PolarHBondContact O-N 3.46Å; N296-Y300 PolarHBondContact O-N 3.34Å; N296-Y300 VanDerWaalsContact O-N 3.11Å
297E72.7Confident76.1Confident120 Ų120100.2 Ų100.256%0.56151%0.508SS*.Hα-helixtrans-56.6-28.2-173.7-170.1178.5-176.300112.9I295 K301I295-E297 PolarHBondContact O-N 3.48Å; E297-K301 VanDerWaalsContact CD-NZ 3.32Å; E297-K301 HydrophobicContact CG-CD 4.12Å; E297-K301 HydrophobicContact CG-CG 4.42Å; E297-K301 WeakPolarHBondContact O-CB 3.43Å; E297-K301 VanDerWaalsContact O-CG 3.27Å; E297-K301 WeakPolarHBondContact O-CG 3.25Å; E297-K301 PolarHBondContact O-N 3.47Å; E297-K301 WeakPolarHBondContact OE1-CE 3.39Å; E297-K301 IonicContact OE1-NZ 2.63Å; E297-K301 PolarHBondContact OE1-NZ 3.48Å
298V72.9Confident75.1Confident103 Ų103100.4 Ų100.462%0.62451%0.51SS*.Hα-helixtrans-67.7-46.3177.5179.40000110.9N296 K301 E302N296-V298 PolarHBondContact O-N 3.13Å; N296-V298 PolarHBondContact OD1-N 3.07Å; V298-K301 PolarHBondContact O-N 3.14Å; V298-E302 WeakPolarHBondContact O-CB 3.27Å; V298-E302 PolarHBondContact O-N 2.87Å
299K70.6Confident74.2Confident88 Ų88104.2 Ų104.238%0.38352%0.523SS..Hα-helixtrans-65-43.7176.6-69.4-178.5175.8175.90110.3D293 N296 K301 E302 D303D293-K299 IonicContact OD1-NZ 2.68Å; D293-K299 PolarHBondContact OD1-NZ 2.9Å; D293-K299 IonicContact OD2-NZ 2.57Å; D293-K299 PolarHBondContact OD2-NZ 2.92Å; N296-K299 HydrophobicContact CB-CD 4.38Å; N296-K299 HydrophobicContact CB-CG 4.45Å; N296-K299 PolarHBondContact O-N 3.46Å; K299-K301 PolarHBondContact O-N 3.06Å; K299-E302 PolarHBondContact O-N 3.13Å; K299-D303 PolarHBondContact O-N 2.96Å
300Y71.6Confident73.5Confident170 Ų170105.9 Ų105.967%0.66754%0.54SS*.Hα-helixtrans-59.4-44.3176.7-179-100.4000113.1N296 G304N296-Y300 PolarHBondContact O-N 3.34Å; N296-Y300 VanDerWaalsContact O-N 3.11Å; Y300-G304 PolarHBondContact O-N 3.04Å
301K77.3Confident72.5Confident112 Ų112105 Ų10549%0.48754%0.539SS..Hα-helixtrans-68.5-34.8177.1-76.1176-179.11680112.7E297 V298 K299 K305E297-K301 VanDerWaalsContact CD-NZ 3.32Å; E297-K301 HydrophobicContact CG-CD 4.12Å; E297-K301 HydrophobicContact CG-CG 4.42Å; E297-K301 WeakPolarHBondContact O-CB 3.43Å; E297-K301 VanDerWaalsContact O-CG 3.27Å; E297-K301 WeakPolarHBondContact O-CG 3.25Å; E297-K301 PolarHBondContact O-N 3.47Å; E297-K301 WeakPolarHBondContact OE1-CE 3.39Å; E297-K301 IonicContact OE1-NZ 2.63Å; E297-K301 PolarHBondContact OE1-NZ 3.48Å; V298-K301 PolarHBondContact O-N 3.14Å; K299-K301 PolarHBondContact O-N 3.06Å; K301-K305 VanDerWaalsContact O-CG 3.27Å; K301-K305 WeakPolarHBondContact O-CG 3.49Å; K301-K305 PolarHBondContact O-N 3.26Å; K301-K305 VanDerWaalsContact O-N 3.13Å
302E77.5Confident71.3Confident100 Ų100108.4 Ų108.447%0.46755%0.554SS.*Hα-helixtrans-68.3-46.3176.9-168-171150.500111.3V298 K299 K305 K306V298-E302 WeakPolarHBondContact O-CB 3.27Å; V298-E302 PolarHBondContact O-N 2.87Å; K299-E302 PolarHBondContact O-N 3.13Å; E302-K305 WeakPolarHBondContact O-CB 3.18Å; E302-K305 PolarHBondContact O-N 3.03Å; E302-K306 WeakPolarHBondContact O-CG 3.35Å; E302-K306 PolarHBondContact O-N 3.31Å; E302-K306 VanDerWaalsContact OE1-CE 3.24Å; E302-K306 WeakPolarHBondContact OE1-CE 3.32Å; E302-K306 IonicContact OE1-NZ 2.76Å; E302-K306 PolarHBondContact OE1-NZ 3.25Å
303D73.1Confident70.3Confident83 Ų83114.8 Ų114.844%0.44457%0.568SS.*Hα-helixtrans-68.6-38.4178.4-66.5-21.1000111.1K299 K305 K306 E307K299-D303 PolarHBondContact O-N 2.96Å; D303-K305 VanDerWaalsContact C-N 3.28Å; D303-K305 PolarHBondContact O-N 3.47Å; D303-K306 WeakPolarHBondContact O-CB 3.36Å; D303-K306 PolarHBondContact O-N 3.38Å; D303-K306 VanDerWaalsContact O-N 3.09Å; D303-K306 IonicContact OD1-NZ 2.7Å; D303-K306 PolarHBondContact OD1-NZ 3.04Å; D303-E307 WeakPolarHBondContact O-CG 3.3Å; D303-E307 PolarHBondContact O-N 2.67Å
304G74.4Confident69.5Low41 Ų41114.5 Ų114.542%0.42357%0.572SS.*Hα-helixtrans-58.8-36.1170.800000113.7Y300 M308Y300-G304 PolarHBondContact O-N 3.04Å; G304-M308 WeakPolarHBondContact O-CB 3.34Å; G304-M308 PolarHBondContact O-N 3.14Å
305K71.4Confident68.7Low144 Ų144111.7 Ų111.763%0.62657%0.569SS**Hα-helixtrans-70.9-37.1173.6-74.3171.5-177.2-178.20112.3K301 E302 D303 M308 N309K301-K305 VanDerWaalsContact O-CG 3.27Å; K301-K305 WeakPolarHBondContact O-CG 3.49Å; K301-K305 PolarHBondContact O-N 3.26Å; K301-K305 VanDerWaalsContact O-N 3.13Å; E302-K305 WeakPolarHBondContact O-CB 3.18Å; E302-K305 PolarHBondContact O-N 3.03Å; D303-K305 VanDerWaalsContact C-N 3.28Å; D303-K305 PolarHBondContact O-N 3.47Å; K305-M308 PolarHBondContact O-N 3.18Å; K305-N309 PolarHBondContact O-N 2.67Å; K305-N309 PolarHBondContact O-ND2 2.69Å
306K71.4Confident68.2Low98 Ų98111.4 Ų111.443%0.42657%0.566SS.*Hα-helixtrans-64-45.9174.9-70170.5-169.8152.70110.9E302 D303 M308 N309 V310E302-K306 WeakPolarHBondContact O-CG 3.35Å; E302-K306 PolarHBondContact O-N 3.31Å; E302-K306 VanDerWaalsContact OE1-CE 3.24Å; E302-K306 WeakPolarHBondContact OE1-CE 3.32Å; E302-K306 IonicContact OE1-NZ 2.76Å; E302-K306 PolarHBondContact OE1-NZ 3.25Å; D303-K306 WeakPolarHBondContact O-CB 3.36Å; D303-K306 PolarHBondContact O-N 3.38Å; D303-K306 VanDerWaalsContact O-N 3.09Å; D303-K306 IonicContact OD1-NZ 2.7Å; D303-K306 PolarHBondContact OD1-NZ 3.04Å; K306-M308 VanDerWaalsContact C-N 3.32Å; K306-M308 PolarHBondContact O-N 3.47Å; K306-N309 WeakPolarHBondContact O-CB 3.3Å; K306-N309 PolarHBondContact O-N 3.36Å; K306-N309 VanDerWaalsContact O-N 3.16Å; K306-V310 PolarHBondContact O-N 2.83Å
307E66.8Low67.6Low116 Ų116113.4 Ų113.454%0.54258%0.583SS.*Hα-helixtrans-64.4-35176.2-66.8-60.4140.900112.2D303 N309 V310 N311D303-E307 WeakPolarHBondContact O-CG 3.3Å; D303-E307 PolarHBondContact O-N 2.67Å; E307-N309 VanDerWaalsContact C-N 3.26Å; E307-N309 PolarHBondContact O-N 3.24Å; E307-V310 PolarHBondContact O-N 3.43Å; E307-V310 VanDerWaalsContact O-N 3.1Å; E307-N311 WeakPolarHBondContact O-CB 3.35Å; E307-N311 PolarHBondContact O-N 3.11Å
308M62.6Low67.2Low123 Ų123114.2 Ų114.261%0.60659%0.587SS**Hα-helixtrans-65.2-27.5174.7-174.515815100113.3G304 K305 K306 S314G304-M308 WeakPolarHBondContact O-CB 3.34Å; G304-M308 PolarHBondContact O-N 3.14Å; K305-M308 PolarHBondContact O-N 3.18Å; K306-M308 VanDerWaalsContact C-N 3.32Å; K306-M308 PolarHBondContact O-N 3.47Å; M308-S314 WeakPolarHBondContact O-CB 3.48Å; M308-S314 PolarHBondContact O-OG 2.83Å
309N61.3Low67.5Low132 Ų132112.9 Ų112.971%0.70658%0.579SS**Hα-helixtrans-79.1-18.7173.5-66.5-43.7000113.2K305 K306 E307K305-N309 PolarHBondContact O-N 2.67Å; K305-N309 PolarHBondContact O-ND2 2.69Å; K306-N309 WeakPolarHBondContact O-CB 3.3Å; K306-N309 PolarHBondContact O-N 3.36Å; K306-N309 VanDerWaalsContact O-N 3.16Å; E307-N309 VanDerWaalsContact C-N 3.26Å; E307-N309 PolarHBondContact O-N 3.24Å
310V65.3Low68Low115 Ų115114.2 Ų114.270%0.69759%0.589SS**Hα-helixtrans-96.4-26.5179.2179.50000111.4K306 E307 L312K306-V310 PolarHBondContact O-N 2.83Å; E307-V310 PolarHBondContact O-N 3.43Å; E307-V310 VanDerWaalsContact O-N 3.1Å; V310-L312 PolarHBondContact O-N 3.3Å
311N62Low68.4Low100 Ų100112.1 Ų112.154%0.53559%0.589SS.*SBendtrans-68.5126.8-178.4-98.6-12.8000112.8E307 Y313 S314E307-N311 WeakPolarHBondContact O-CB 3.35Å; E307-N311 PolarHBondContact O-N 3.11Å; N311-Y313 PolarHBondContact O-N 2.88Å; N311-S314 WeakPolarHBondContact O-CB 3.46Å; N311-S314 PolarHBondContact O-N 3.41Å
312L57.8Low68.5Low152 Ų152110 Ų11080%0.79659%0.586SS**THydrogen-bonded Turntrans-55.9-21.9-179.8-151.977000113.7V310 A315V310-L312 PolarHBondContact O-N 3.3Å; L312-A315 PolarHBondContact O-N 2.88Å
313Y59.3Low68.6Low208 Ų208109.7 Ų109.782%0.81658%0.584SS**THydrogen-bonded Turntrans-70.8-28177.5-154.4-97.3000113.2N311 A315 M316N311-Y313 PolarHBondContact O-N 2.88Å; Y313-A315 VanDerWaalsContact C-N 3.31Å; Y313-M316 PolarHBondContact O-N 3.43Å
314S59.5Low69.1Low72 Ų72110.8 Ų110.850%0.50359%0.587SS.*THydrogen-bonded Turntrans-73.8-24.4172.9-178.10000112.2M308 N311 M316M308-S314 WeakPolarHBondContact O-CB 3.48Å; M308-S314 PolarHBondContact O-OG 2.83Å; N311-S314 WeakPolarHBondContact O-CB 3.46Å; N311-S314 PolarHBondContact O-N 3.41Å; S314-M316 VanDerWaalsContact C-N 3.33Å
315A59Low69.5Low79 Ų79111.8 Ų111.865%0.65359%0.59SS**THydrogen-bonded Turntrans-88.23.2177.100000113.7L312 Y313L312-A315 PolarHBondContact O-N 2.88Å; Y313-A315 VanDerWaalsContact C-N 3.31Å
316M64.6Low69.9Low121 Ų121108.9 Ų108.960%0.59658%0.578SS**SBendtrans-70.1134.4175.6-77.6-67.4-63.100110Y313 S314 E318Y313-M316 PolarHBondContact O-N 3.43Å; S314-M316 VanDerWaalsContact C-N 3.33Å; M316-E318 PolarHBondContact O-N 3.48Å
317P67.6Low70.4Confident105 Ų105108.5 Ų108.568%0.68258%0.578SS**PPolyproline II helixtrans-55130.5173.3-22.732.2000110.3T319P317-T319 PolarHBondContact O-N 3.21Å
318E65.9Low71.1Confident137 Ų137105 Ų10564%0.6457%0.569SS**PPolyproline II helixtrans-53.5118.2175.5-75.5-178.1168.300109.1M316M316-E318 PolarHBondContact O-N 3.48Å
319T79.2Confident71.9Confident75 Ų75102.8 Ų102.846%0.4657%0.566SS.*PPolyproline II helixtrans-70.2156.6172.260.70000109.9P317 D321 T322 Q323P317-T319 PolarHBondContact O-N 3.21Å; T319-D321 PolarHBondContact O-N 2.94Å; T319-D321 VanDerWaalsContact O-N 3.14Å; T319-T322 PolarHBondContact N-OG1 3.25Å; T319-T322 PolarHBondContact O-N 2.77Å; T319-T322 PolarHBondContact O-OG1 2.89Å; T319-T322 PolarHBondContact OG1-N 3.5Å; T319-T322 PolarHBondContact OG1-OG1 3.38Å; T319-Q323 PolarHBondContact O-N 3.38Å
320I80.6Confident72.6Confident115 Ų11599.3 Ų99.359%0.5955%0.545SS*.Hα-helixtrans-55.2-35177-63.7173.4000110.9Q323 H324I320-Q323 PolarHBondContact O-N 3.45Å; I320-H324 WeakPolarHBondContact CG2-CE1 3.22Å; I320-H324 VanDerWaalsContact O-CG 3.31Å; I320-H324 PolarHBondContact O-N 3.44Å; I320-H324 PolarHBondContact O-ND1 2.94Å
321D80.6Confident73Confident126 Ų126100.8 Ų100.867%0.67455%0.548SS*.Hα-helixtrans-68.5-38.5178.2-62.9-33.2000112.8T319 Q323 H324 A325T319-D321 PolarHBondContact O-N 2.94Å; T319-D321 VanDerWaalsContact O-N 3.14Å; D321-Q323 VanDerWaalsContact C-N 3.33Å; D321-H324 PolarHBondContact O-N 2.86Å; D321-A325 WeakPolarHBondContact O-CB 3.44Å; D321-A325 PolarHBondContact O-N 3.42Å
322T79.3Confident73.5Confident69 Ų69103.4 Ų103.442%0.42356%0.557SS.*Hα-helixtrans-68.4-34.5174.644.40000111.9T319 A325 K326T319-T322 PolarHBondContact N-OG1 3.25Å; T319-T322 PolarHBondContact O-N 2.77Å; T319-T322 PolarHBondContact O-OG1 2.89Å; T319-T322 PolarHBondContact OG1-N 3.5Å; T319-T322 PolarHBondContact OG1-OG1 3.38Å; T322-A325 PolarHBondContact O-N 3.32Å; T322-K326 PolarHBondContact O-N 3.45Å
323Q79.2Confident74.2Confident92 Ų9298 Ų9843%0.4353%0.532SS..Hα-helixtrans-67.3-46.6174.9-172175.3-2.200111.2T319 I320 D321 A325 K326 E327T319-Q323 PolarHBondContact O-N 3.38Å; I320-Q323 PolarHBondContact O-N 3.45Å; D321-Q323 VanDerWaalsContact C-N 3.33Å; Q323-A325 VanDerWaalsContact C-N 3.3Å; Q323-A325 PolarHBondContact O-N 2.85Å; Q323-K326 PolarHBondContact O-N 2.92Å; Q323-E327 PolarHBondContact NE2-OE1 2.81Å; Q323-E327 WeakPolarHBondContact O-CG 3.38Å; Q323-E327 PolarHBondContact O-N 3.2Å
324H82.9Confident74.5Confident107 Ų10793.6 Ų93.650%0.49552%0.523SS..Hα-helixtrans-60.4-38.4174.6-69.2159.7000112.6I320 D321 E327 A328I320-H324 WeakPolarHBondContact CG2-CE1 3.22Å; I320-H324 VanDerWaalsContact O-CG 3.31Å; I320-H324 PolarHBondContact O-N 3.44Å; I320-H324 PolarHBondContact O-ND1 2.94Å; D321-H324 PolarHBondContact O-N 2.86Å; H324-E327 PolarHBondContact O-N 3.45Å; H324-A328 WeakPolarHBondContact O-CB 3.42Å; H324-A328 PolarHBondContact O-N 3.08Å
325A82.2Confident74.9Confident61 Ų6195.5 Ų95.550%0.50453%0.531SS..Hα-helixtrans-65.8-38.6176.100000112.3D321 T322 Q323 S329D321-A325 WeakPolarHBondContact O-CB 3.44Å; D321-A325 PolarHBondContact O-N 3.42Å; T322-A325 PolarHBondContact O-N 3.32Å; Q323-A325 VanDerWaalsContact C-N 3.3Å; Q323-A325 PolarHBondContact O-N 2.85Å; A325-S329 WeakPolarHBondContact O-CB 3.48Å; A325-S329 PolarHBondContact O-N 3.38Å
326K80.3Confident75.1Confident83 Ų8396.8 Ų96.836%0.36152%0.522SS..Hα-helixtrans-64.6-48.2174.7-172.2-179.9175.1-175.60111.2T322 Q323 A328 S329 E330 S448T322-K326 PolarHBondContact O-N 3.45Å; Q323-K326 PolarHBondContact O-N 2.92Å; K326-A328 VanDerWaalsContact C-N 3.34Å; K326-A328 PolarHBondContact O-N 3.31Å; K326-S329 WeakPolarHBondContact O-CB 3.34Å; K326-S329 PolarHBondContact O-N 3.48Å; K326-S329 VanDerWaalsContact O-N 3.16Å; K326-E330 WeakPolarHBondContact CE-OE1 3.26Å; K326-E330 WeakPolarHBondContact O-CG 3.29Å; K326-E330 PolarHBondContact O-N 3.48Å; K326-S448 PolarHBondContact NZ-O 3.08Å
327E81.6Confident75.2Confident90 Ų9098.5 Ų98.542%0.42152%0.523SS..Hα-helixtrans-60.5-41.9176.9-71175-168.300111.9Q323 H324 E330 L331Q323-E327 PolarHBondContact NE2-OE1 2.81Å; Q323-E327 WeakPolarHBondContact O-CG 3.38Å; Q323-E327 PolarHBondContact O-N 3.2Å; H324-E327 PolarHBondContact O-N 3.45Å; E327-E330 PolarHBondContact O-N 3.1Å; E327-L331 WeakPolarHBondContact O-CB 3.38Å; E327-L331 VanDerWaalsContact O-CG 3.31Å; E327-L331 WeakPolarHBondContact O-CG 3.24Å; E327-L331 PolarHBondContact O-N 3.33Å
328A82.9Confident75.2Confident44 Ų4499.9 Ų99.936%0.36452%0.518SS..Hα-helixtrans-63.5-41.3174.700000112.2H324 K326 L331 Q332H324-A328 WeakPolarHBondContact O-CB 3.42Å; H324-A328 PolarHBondContact O-N 3.08Å; K326-A328 VanDerWaalsContact C-N 3.34Å; K326-A328 PolarHBondContact O-N 3.31Å; A328-L331 PolarHBondContact O-N 2.86Å; A328-Q332 WeakPolarHBondContact O-CB 3.24Å; A328-Q332 VanDerWaalsContact O-CG 3.27Å; A328-Q332 WeakPolarHBondContact O-CG 3.3Å; A328-Q332 PolarHBondContact O-N 3.27Å
329S80Confident75.4Confident76 Ų7699 Ų9953%0.53151%0.514SS..Hα-helixtrans-66.2-37.2175.9-173.20000112.3A325 K326 Q332 S333A325-S329 WeakPolarHBondContact O-CB 3.48Å; A325-S329 PolarHBondContact O-N 3.38Å; K326-S329 WeakPolarHBondContact O-CB 3.34Å; K326-S329 PolarHBondContact O-N 3.48Å; K326-S329 VanDerWaalsContact O-N 3.16Å; S329-Q332 PolarHBondContact O-N 3.24Å; S329-S333 PolarHBondContact O-N 3.01Å
330E74.8Confident74.8Confident59 Ų5997 Ų9728%0.27651%0.509SS..Hα-helixtrans-67.4-41175.4-75.4-177.9-155.800111.7K326 E327 Q332 S333 K336K326-E330 WeakPolarHBondContact CE-OE1 3.26Å; K326-E330 WeakPolarHBondContact O-CG 3.29Å; K326-E330 PolarHBondContact O-N 3.48Å; E327-E330 PolarHBondContact O-N 3.1Å; E330-Q332 VanDerWaalsContact C-N 3.29Å; E330-Q332 PolarHBondContact O-N 3.39Å; E330-S333 WeakPolarHBondContact O-CB 3.21Å; E330-S333 PolarHBondContact O-N 3.05Å; E330-S333 VanDerWaalsContact O-N 3.14Å; E330-S333 PolarHBondContact O-OG 3.22Å; E330-K336 IonicContact OE2-NZ 2.67Å; E330-K336 PolarHBondContact OE2-NZ 3.2Å
331L73.9Confident74.2Confident145 Ų14593.3 Ų93.376%0.75949%0.491SS*.Hα-helixtrans-65.6-32.4174.3-72.8172000112.4E327 A328 S333E327-L331 WeakPolarHBondContact O-CB 3.38Å; E327-L331 VanDerWaalsContact O-CG 3.31Å; E327-L331 WeakPolarHBondContact O-CG 3.24Å; E327-L331 PolarHBondContact O-N 3.33Å; A328-L331 PolarHBondContact O-N 2.86Å; L331-S333 VanDerWaalsContact C-N 3.29Å
332Q72.6Confident73.5Confident155 Ų15594.8 Ų94.872%0.72449%0.492SS*.THydrogen-bonded Turntrans-79.2-10.1173.6-72.3176.83.100113.4A328 S329 E330 D334A328-Q332 WeakPolarHBondContact O-CB 3.24Å; A328-Q332 VanDerWaalsContact O-CG 3.27Å; A328-Q332 WeakPolarHBondContact O-CG 3.3Å; A328-Q332 PolarHBondContact O-N 3.27Å; S329-Q332 PolarHBondContact O-N 3.24Å; E330-Q332 VanDerWaalsContact C-N 3.29Å; E330-Q332 PolarHBondContact O-N 3.39Å; Q332-D334 PolarHBondContact O-N 3.15Å
333S72.6Confident72.6Confident40 Ų4097.7 Ų97.728%0.2850%0.5SS..  trans-70.3123-178.975.50000111.2S329 E330 L331 V335 K336 Y337S329-S333 PolarHBondContact O-N 3.01Å; E330-S333 WeakPolarHBondContact O-CB 3.21Å; E330-S333 PolarHBondContact O-N 3.05Å; E330-S333 VanDerWaalsContact O-N 3.14Å; E330-S333 PolarHBondContact O-OG 3.22Å; L331-S333 VanDerWaalsContact C-N 3.29Å; S333-V335 PolarHBondContact O-N 2.86Å; S333-K336 PolarHBondContact O-N 3.39Å; S333-Y337 PolarHBondContact O-N 2.74Å
334D65Low71.7Confident115 Ų11599.8 Ų99.862%0.61551%0.512SS*.Hα-helixtrans-57.7-23-179.8-80.5-16.8000113.5Q332 K338Q332-D334 PolarHBondContact O-N 3.15Å; D334-K338 WeakPolarHBondContact O-CB 3.28Å; D334-K338 VanDerWaalsContact O-CG 3.28Å; D334-K338 WeakPolarHBondContact O-CG 3.22Å; D334-K338 PolarHBondContact O-N 3.32Å
335V67.8Low70.6Confident112 Ų112102 Ų10268%0.67952%0.522SS*.Hα-helixtrans-69.4-51.2-179.9179.40000110.8S333 Y337 K338 E339S333-V335 PolarHBondContact O-N 2.86Å; V335-Y337 VanDerWaalsContact C-N 3.29Å; V335-Y337 PolarHBondContact O-N 3.45Å; V335-K338 PolarHBondContact O-N 2.89Å; V335-E339 PolarHBondContact O-N 3.36Å; V335-E339 VanDerWaalsContact O-N 3.08Å
336K64.8Low69.4Low106 Ų106102.1 Ų102.146%0.46152%0.52SS..Hα-helixtrans-65.5-35.2175.8-72.5-171179.7-177.20111.3E330 S333 E339 G340E330-K336 IonicContact OE2-NZ 2.67Å; E330-K336 PolarHBondContact OE2-NZ 3.2Å; S333-K336 PolarHBondContact O-N 3.39Å; K336-E339 PolarHBondContact O-N 2.95Å; K336-G340 PolarHBondContact O-N 2.87Å
337Y65.1Low68.4Low156 Ų156101.5 Ų101.561%0.61253%0.526SS*.Hα-helixtrans-62.1-47.2174.1179.8-101.3000112.2S333 V335 E339 G340 V341S333-Y337 PolarHBondContact O-N 2.74Å; V335-Y337 VanDerWaalsContact C-N 3.29Å; V335-Y337 PolarHBondContact O-N 3.45Å; Y337-E339 VanDerWaalsContact C-N 3.33Å; Y337-E339 PolarHBondContact O-N 2.91Å; Y337-G340 PolarHBondContact O-N 3.43Å; Y337-V341 HydrophobicContact CD1-CG2 4.15Å; Y337-V341 HydrophobicContact CD2-CG2 4.43Å; Y337-V341 HydrophobicContact CE1-CG2 3.78Å; Y337-V341 HydrophobicContact CE2-CG2 4.09Å; Y337-V341 HydrophobicContact CG-CG2 4.46Å; Y337-V341 WeakPolarHBondContact O-CB 3.33Å; Y337-V341 WeakPolarHBondContact O-CG2 3.41Å; Y337-V341 PolarHBondContact O-N 2.82Å
338K68.9Low67.3Low134 Ų134103.8 Ų103.858%0.58354%0.54SS*.Hα-helixtrans-66.7-33.2178.8-74.7-177.1-174.6-175.10113D334 V335 K342D334-K338 WeakPolarHBondContact O-CB 3.28Å; D334-K338 VanDerWaalsContact O-CG 3.28Å; D334-K338 WeakPolarHBondContact O-CG 3.22Å; D334-K338 PolarHBondContact O-N 3.32Å; V335-K338 PolarHBondContact O-N 2.89Å; K338-K342 WeakPolarHBondContact O-CG 3.31Å; K338-K342 PolarHBondContact O-N 3.47Å; K338-K342 VanDerWaalsContact O-N 3.1Å
339E69.3Low66Low120 Ų120111 Ų11156%0.56156%0.559SS**Hα-helixtrans-67.3-49.6173.5-170.9168-157.300111.3V335 K336 Y337 V341 K342 E343V335-E339 PolarHBondContact O-N 3.36Å; V335-E339 VanDerWaalsContact O-N 3.08Å; K336-E339 PolarHBondContact O-N 2.95Å; Y337-E339 VanDerWaalsContact C-N 3.33Å; Y337-E339 PolarHBondContact O-N 2.91Å; E339-V341 VanDerWaalsContact C-N 3.28Å; E339-V341 PolarHBondContact O-N 2.95Å; E339-K342 WeakPolarHBondContact O-CB 3.45Å; E339-K342 PolarHBondContact O-N 2.94Å; E339-K342 VanDerWaalsContact O-N 3.08Å; E339-E343 PolarHBondContact O-N 3.41Å
340G67.1Low65.1Low33 Ų33114.5 Ų114.534%0.3457%0.567SS.*Hα-helixtrans-61-34.1174.500000113.4K336 Y337 E343 M344K336-G340 PolarHBondContact O-N 2.87Å; Y337-G340 PolarHBondContact O-N 3.43Å; G340-E343 PolarHBondContact O-N 3.32Å; G340-M344 VanDerWaalsContact O-CB 3.24Å; G340-M344 WeakPolarHBondContact O-CB 3.38Å; G340-M344 PolarHBondContact O-N 2.91Å
341V68.3Low64.4Low37 Ų37122.4 Ų122.422%0.22459%0.594CS.*Hα-helixtrans-67.6-39.6173.5168.60000111.5Y337 E339 M344 Q345Y337-V341 HydrophobicContact CD1-CG2 4.15Å; Y337-V341 HydrophobicContact CD2-CG2 4.43Å; Y337-V341 HydrophobicContact CE1-CG2 3.78Å; Y337-V341 HydrophobicContact CE2-CG2 4.09Å; Y337-V341 HydrophobicContact CG-CG2 4.46Å; Y337-V341 WeakPolarHBondContact O-CB 3.33Å; Y337-V341 WeakPolarHBondContact O-CG2 3.41Å; Y337-V341 PolarHBondContact O-N 2.82Å; E339-V341 VanDerWaalsContact C-N 3.28Å; E339-V341 PolarHBondContact O-N 2.95Å; V341-M344 PolarHBondContact O-N 3.35Å; V341-Q345 HydrophobicContact CG1-CG 4.33Å; V341-Q345 WeakPolarHBondContact O-CB 3.34Å; V341-Q345 VanDerWaalsContact O-CG 3.26Å; V341-Q345 WeakPolarHBondContact O-CG 3.38Å; V341-Q345 PolarHBondContact O-N 3.28Å
342K64.5Low64.2Low157 Ų157120.8 Ų120.868%0.68359%0.586SS**Hα-helixtrans-64.8-41.2175.1-74.4172.4-177.9178.60111.7K338 E339 Q345 S346K338-K342 WeakPolarHBondContact O-CG 3.31Å; K338-K342 PolarHBondContact O-N 3.47Å; K338-K342 VanDerWaalsContact O-N 3.1Å; E339-K342 WeakPolarHBondContact O-CB 3.45Å; E339-K342 PolarHBondContact O-N 2.94Å; E339-K342 VanDerWaalsContact O-N 3.08Å; K342-Q345 PolarHBondContact O-N 3.3Å; K342-S346 PolarHBondContact O-N 2.66Å
343E61.8Low63.9Low129 Ų129118.4 Ų118.460%0.60358%0.584SS**Hα-helixtrans-65-40.7174.1-69.5-173.216200111.6E339 G340 S346E339-E343 PolarHBondContact O-N 3.41Å; G340-E343 PolarHBondContact O-N 3.32Å; E343-S346 WeakPolarHBondContact O-CB 3.4Å; E343-S346 PolarHBondContact O-N 2.57Å; E343-S346 VanDerWaalsContact O-N 3.15Å; E343-S346 PolarHBondContact O-OG 2.98Å
344M60.4Low63.6Low137 Ų137121.3 Ų121.368%0.67559%0.593SS**Hα-helixtrans-72.3-31.9178.7-165.7155.465.700112.9G340 V341 S346 S347G340-M344 VanDerWaalsContact O-CB 3.24Å; G340-M344 WeakPolarHBondContact O-CB 3.38Å; G340-M344 PolarHBondContact O-N 2.91Å; V341-M344 PolarHBondContact O-N 3.35Å; M344-S346 PolarHBondContact O-N 3.27Å; M344-S347 PolarHBondContact O-N 3Å; M344-S347 PolarHBondContact O-OG 3.03Å
345Q59Low64.3Low152 Ų152119.3 Ų119.371%0.7159%0.585SS**Hα-helixtrans-64.1-19.8170.6-77.1-171.72.900112.7V341 K342V341-Q345 HydrophobicContact CG1-CG 4.33Å; V341-Q345 WeakPolarHBondContact O-CB 3.34Å; V341-Q345 VanDerWaalsContact O-CG 3.26Å; V341-Q345 WeakPolarHBondContact O-CG 3.38Å; V341-Q345 PolarHBondContact O-N 3.28Å; K342-Q345 PolarHBondContact O-N 3.3Å
346S57.5Low64.8Low65 Ų65119.2 Ų119.246%0.45559%0.585SS.*THydrogen-bonded Turntrans-83.7-12.4177.380.50000114.9K342 E343 M344 H350K342-S346 PolarHBondContact O-N 2.66Å; E343-S346 WeakPolarHBondContact O-CB 3.4Å; E343-S346 PolarHBondContact O-N 2.57Å; E343-S346 VanDerWaalsContact O-N 3.15Å; E343-S346 PolarHBondContact O-OG 2.98Å; M344-S346 PolarHBondContact O-N 3.27Å; S346-H350 WeakPolarHBondContact O-CB 3.41Å
347S59.2Low65.5Low69 Ų69121.5 Ų121.548%0.48360%0.597SS.*SBendtrans-107.9-7.2-156.169.90000118.6M344M344-S347 PolarHBondContact O-N 3Å; M344-S347 PolarHBondContact O-OG 3.03Å
348L57.1Low66.1Low138 Ų138117.1 Ų117.172%0.72359%0.586SS**SBendtrans-107.1-44.6176.8-99.3164.1000114.4
349Y56.2Low66.5Low197 Ų197115.4 Ų115.477%0.77358%0.581SS**G310 helixtrans-78.9-21-177.5-70.5-83.7000113.8R351 L352Y349-R351 VanDerWaalsContact C-N 3.29Å; Y349-R351 PolarHBondContact O-N 3.49Å; Y349-L352 HydrophobicContact CD1-CD1 4.24Å
350H62.2Low67.2Low148 Ų148116.1 Ų116.169%0.68559%0.586SS**G310 helixtrans-71.9-18.4177-105.877.4000114.2S346S346-H350 WeakPolarHBondContact O-CB 3.41Å
351R60.2Low67.8Low225 Ų225117.3 Ų117.385%0.84959%0.592SS**G310 helixtrans-93.4-12.1-176.1-172.2174.5-71.6-1670113.3Y349Y349-R351 VanDerWaalsContact C-N 3.29Å; Y349-R351 PolarHBondContact O-N 3.49Å
352L68.1Low68.2Low111 Ų111120.4 Ų120.458%0.58160%0.603SS**SBendtrans-74.1142.1177.6-76.1157.8000110.3Y349 E354Y349-L352 HydrophobicContact CD1-CD1 4.24Å; L352-E354 PolarHBondContact O-N 3.02Å
353P67.3Low69Low106 Ų106118.7 Ų118.769%0.68860%0.597SS**  trans-60.4128.3172.723.8-30.3000109.2T355P353-T355 PolarHBondContact O-N 3.04Å
354E65.8Low69.8Low100 Ų100117.4 Ų117.447%0.46759%0.593SS.*  trans-61.3112178.8-74.8-165.8164.300110.1L352 Q359 K362L352-E354 PolarHBondContact O-N 3.02Å; E354-Q359 HydrophobicContact CB-CG 4.04Å; E354-Q359 WeakPolarHBondContact OE2-CG 3.32Å; E354-Q359 PolarHBondContact OE2-NE2 2.83Å; E354-K362 IonicContact OE1-NZ 2.74Å; E354-K362 PolarHBondContact OE1-NZ 3.28Å
355T81Confident70.7Confident73 Ų73114.4 Ų114.445%0.44859%0.586SS.*  trans-83.2158.8168.3640000109.4P353 E357 T358 Q359P353-T355 PolarHBondContact O-N 3.04Å; T355-E357 PolarHBondContact O-N 3.41Å; T355-E357 VanDerWaalsContact O-N 3.17Å; T355-T358 PolarHBondContact N-OG1 3.26Å; T355-T358 PolarHBondContact O-N 3.31Å; T355-T358 PolarHBondContact O-OG1 2.95Å; T355-T358 WeakPolarHBondContact OG1-CG2 3.46Å; T355-T358 PolarHBondContact OG1-N 3.03Å; T355-T358 PolarHBondContact OG1-OG1 3.36Å; T355-Q359 PolarHBondContact O-N 2.99Å
356T78Confident71.6Confident111 Ų111111.2 Ų111.268%0.68157%0.571SS**Hα-helixtrans-56.1-34.1179.950.40000112.7Q359 M360T356-Q359 PolarHBondContact O-N 3.44Å; T356-M360 WeakPolarHBondContact O-CG 3.35Å; T356-M360 PolarHBondContact O-N 2.99Å
357E77.9Confident72.6Confident154 Ų154114 Ų11472%0.7258%0.58SS**Hα-helixtrans-69.1-42.6176.2-171.5172.2-170.300112.1T355 Q359 M360 A361T355-E357 PolarHBondContact O-N 3.41Å; T355-E357 VanDerWaalsContact O-N 3.17Å; E357-Q359 VanDerWaalsContact C-N 3.3Å; E357-Q359 PolarHBondContact O-N 2.89Å; E357-M360 PolarHBondContact O-N 3.09Å; E357-A361 WeakPolarHBondContact O-CB 3.48Å; E357-A361 PolarHBondContact O-N 2.69Å
358T78.9Confident73.2Confident63 Ų63118.2 Ų118.239%0.38759%0.592SS.*Hα-helixtrans-67.2-30.9175540000112.9T355 K362T355-T358 PolarHBondContact N-OG1 3.26Å; T355-T358 PolarHBondContact O-N 3.31Å; T355-T358 PolarHBondContact O-OG1 2.95Å; T355-T358 WeakPolarHBondContact OG1-CG2 3.46Å; T355-T358 PolarHBondContact OG1-N 3.03Å; T355-T358 PolarHBondContact OG1-OG1 3.36Å; T358-K362 WeakPolarHBondContact O-CB 3.27Å; T358-K362 PolarHBondContact O-N 2.9Å
359Q78Confident74.1Confident99 Ų99113.4 Ų113.446%0.46357%0.57SS.*Hα-helixtrans-67.9-42.5172.6-71-174.5-15.900111.6E354 T355 T356 E357 K362 H363E354-Q359 HydrophobicContact CB-CG 4.04Å; E354-Q359 WeakPolarHBondContact OE2-CG 3.32Å; E354-Q359 PolarHBondContact OE2-NE2 2.83Å; T355-Q359 PolarHBondContact O-N 2.99Å; T356-Q359 PolarHBondContact O-N 3.44Å; E357-Q359 VanDerWaalsContact C-N 3.3Å; E357-Q359 PolarHBondContact O-N 2.89Å; Q359-K362 PolarHBondContact O-N 3.38Å; Q359-H363 WeakPolarHBondContact O-CB 3.5Å; Q359-H363 PolarHBondContact O-N 3.07Å
360M82Confident74.8Confident135 Ų135109.6 Ų109.667%0.66556%0.563SS**Hα-helixtrans-63-43.9173.8-75.4-178.3171.200111.8T356 E357 H363 L364T356-M360 WeakPolarHBondContact O-CG 3.35Å; T356-M360 PolarHBondContact O-N 2.99Å; E357-M360 PolarHBondContact O-N 3.09Å; M360-H363 PolarHBondContact O-N 2.68Å; M360-L364 WeakPolarHBondContact O-CB 3.37Å; M360-L364 WeakPolarHBondContact O-CG 3.31Å; M360-L364 PolarHBondContact O-N 3.16Å
361A79.6Confident75.4Confident58 Ų58108.9 Ų108.948%0.47957%0.565SS.*Hα-helixtrans-63.8-41.5176.900000112.2E357 L364 S365E357-A361 WeakPolarHBondContact O-CB 3.48Å; E357-A361 PolarHBondContact O-N 2.69Å; A361-L364 PolarHBondContact O-N 3.4Å; A361-S365 WeakPolarHBondContact O-CB 3.48Å; A361-S365 PolarHBondContact O-N 3.34Å
362K78.6Confident76.2Confident101 Ų101101.8 Ų101.844%0.43954%0.54SS..Hα-helixtrans-59.8-48.6171.8-89.4-173.7176.3-178.80111.3E354 T358 Q359 L364 S365 E366E354-K362 IonicContact OE1-NZ 2.74Å; E354-K362 PolarHBondContact OE1-NZ 3.28Å; T358-K362 WeakPolarHBondContact O-CB 3.27Å; T358-K362 PolarHBondContact O-N 2.9Å; Q359-K362 PolarHBondContact O-N 3.38Å; K362-L364 VanDerWaalsContact C-N 3.35Å; K362-L364 PolarHBondContact O-N 3.42Å; K362-S365 PolarHBondContact O-N 2.87Å; K362-E366 WeakPolarHBondContact O-CB 3.41Å; K362-E366 PolarHBondContact O-N 2.69Å
363H79.6Confident76.4Confident122 Ų122104.7 Ų104.757%0.56554%0.544SS*.Hα-helixtrans-61.5-41.1179.9-175.6-89000112.3Q359 M360 E366 L367Q359-H363 WeakPolarHBondContact O-CB 3.5Å; Q359-H363 PolarHBondContact O-N 3.07Å; M360-H363 PolarHBondContact O-N 2.68Å; H363-E366 PolarHBondContact O-N 3.17Å; H363-L367 WeakPolarHBondContact O-CB 3.42Å; H363-L367 PolarHBondContact O-N 3.18Å
364L79Confident76.9Confident101 Ų101105.9 Ų105.953%0.52954%0.539SS..Hα-helixtrans-65.9-43.9174.6-72.2171.9000111.9M360 A361 K362 E366 L367 Q368M360-L364 WeakPolarHBondContact O-CB 3.37Å; M360-L364 WeakPolarHBondContact O-CG 3.31Å; M360-L364 PolarHBondContact O-N 3.16Å; A361-L364 PolarHBondContact O-N 3.4Å; K362-L364 VanDerWaalsContact C-N 3.35Å; K362-L364 PolarHBondContact O-N 3.42Å; L364-E366 VanDerWaalsContact C-N 3.27Å; L364-E366 PolarHBondContact O-N 2.67Å; L364-L367 PolarHBondContact O-N 2.95Å; L364-Q368 WeakPolarHBondContact O-CB 3.44Å; L364-Q368 VanDerWaalsContact O-CG 3.29Å; L364-Q368 WeakPolarHBondContact O-CG 3.41Å; L364-Q368 PolarHBondContact O-N 2.77Å
365S78.9Confident77.6Confident74 Ų74106.6 Ų106.652%0.51754%0.542SS..Hα-helixtrans-63.9-34.4175.6179.40000112.3A361 K362 Q368 S369A361-S365 WeakPolarHBondContact O-CB 3.48Å; A361-S365 PolarHBondContact O-N 3.34Å; K362-S365 PolarHBondContact O-N 2.87Å; S365-Q368 PolarHBondContact O-N 3.27Å; S365-S369 WeakPolarHBondContact O-CB 3.43Å; S365-S369 PolarHBondContact O-N 2.93Å
366E79.1Confident77.5Confident85 Ų85107.7 Ų107.740%0.39755%0.545SS..Hα-helixtrans-69.5-43.1176.5152.1152-160.400111.4K362 H363 L364 Q368 S369 K372K362-E366 WeakPolarHBondContact O-CB 3.41Å; K362-E366 PolarHBondContact O-N 2.69Å; H363-E366 PolarHBondContact O-N 3.17Å; L364-E366 VanDerWaalsContact C-N 3.27Å; L364-E366 PolarHBondContact O-N 2.67Å; E366-Q368 VanDerWaalsContact C-N 3.3Å; E366-Q368 PolarHBondContact O-N 2.8Å; E366-S369 WeakPolarHBondContact O-CB 3.28Å; E366-S369 PolarHBondContact O-N 2.96Å; E366-S369 VanDerWaalsContact O-N 3.11Å; E366-S369 PolarHBondContact O-OG 2.82Å; E366-K372 HydrophobicContact CB-CD 4.04Å; E366-K372 VanDerWaalsContact CD-CD 3.42Å; E366-K372 HydrophobicContact CG-CD 3.36Å; E366-K372 VanDerWaalsContact OE1-CD 3.25Å; E366-K372 WeakPolarHBondContact OE1-CD 3.29Å; E366-K372 WeakPolarHBondContact OE1-CE 3.38Å; E366-K372 IonicContact OE1-NZ 2.62Å; E366-K372 PolarHBondContact OE1-NZ 3.46Å; E366-K372 IonicContact OE2-NZ 2.64Å; E366-K372 PolarHBondContact OE2-NZ 2.62Å
367L77.1Confident77.4Confident124 Ų124103.8 Ų103.865%0.64953%0.527SS*.Hα-helixtrans-65-34.3173.3-169.466.7000112.4H363 L364 S369H363-L367 WeakPolarHBondContact O-CB 3.42Å; H363-L367 PolarHBondContact O-N 3.18Å; L364-L367 PolarHBondContact O-N 2.95Å; L367-S369 VanDerWaalsContact C-N 3.29Å
368Q72.7Confident77.4Confident157 Ų157103.5 Ų103.573%0.73452%0.523SS*.THydrogen-bonded Turntrans-78.4-11.8174.5-73.2177.7-28.800113.3L364 S365 E366 D370L364-Q368 WeakPolarHBondContact O-CB 3.44Å; L364-Q368 VanDerWaalsContact O-CG 3.29Å; L364-Q368 WeakPolarHBondContact O-CG 3.41Å; L364-Q368 PolarHBondContact O-N 2.77Å; S365-Q368 PolarHBondContact O-N 3.27Å; E366-Q368 VanDerWaalsContact C-N 3.3Å; E366-Q368 PolarHBondContact O-N 2.8Å; Q368-D370 PolarHBondContact O-N 3.27Å
369S76.3Confident77.1Confident37 Ų37108.3 Ų108.326%0.25954%0.535SS..  trans-79.4114.4-179.776.60000110.5S365 E366 L367 N371 K372 Y373S365-S369 WeakPolarHBondContact O-CB 3.43Å; S365-S369 PolarHBondContact O-N 2.93Å; E366-S369 WeakPolarHBondContact O-CB 3.28Å; E366-S369 PolarHBondContact O-N 2.96Å; E366-S369 VanDerWaalsContact O-N 3.11Å; E366-S369 PolarHBondContact O-OG 2.82Å; L367-S369 VanDerWaalsContact C-N 3.29Å; S369-N371 PolarHBondContact O-N 3.35Å; S369-N371 VanDerWaalsContact O-N 3.07Å; S369-K372 PolarHBondContact O-N 2.8Å; S369-K372 VanDerWaalsContact O-N 3.08Å; S369-K372 WeakPolarHBondContact OG-CB 3.43Å; S369-Y373 PolarHBondContact O-N 2.96Å; S369-Y373 VanDerWaalsContact O-N 3.09Å
370D71.4Confident76.8Confident117 Ų117107.2 Ų107.263%0.62654%0.538SS*.Hα-helixtrans-56.4-27.9178.6-73.9-20.1000113.2Q368 K374Q368-D370 PolarHBondContact O-N 3.27Å; D370-K374 WeakPolarHBondContact O-CB 3.4Å; D370-K374 VanDerWaalsContact O-CG 3.23Å; D370-K374 WeakPolarHBondContact O-CG 3.43Å; D370-K374 PolarHBondContact O-N 2.77Å
371N74.5Confident76.1Confident134 Ų134107.8 Ų107.872%0.71754%0.539SS*.Hα-helixtrans-68.1-45.8177-89.2-53.4000112.2S369 K374 E375S369-N371 PolarHBondContact O-N 3.35Å; S369-N371 VanDerWaalsContact O-N 3.07Å; N371-K374 PolarHBondContact O-N 3.04Å; N371-E375 WeakPolarHBondContact O-CB 3.2Å; N371-E375 PolarHBondContact O-N 2.8Å
372K76Confident75.4Confident75 Ų75108.8 Ų108.833%0.32654%0.543SS..Hα-helixtrans-69.8-36.8176.7-74.7-169.7168.3-170.70111.7E366 S369 K374 E375 D376E366-K372 HydrophobicContact CB-CD 4.04Å; E366-K372 VanDerWaalsContact CD-CD 3.42Å; E366-K372 HydrophobicContact CG-CD 3.36Å; E366-K372 VanDerWaalsContact OE1-CD 3.25Å; E366-K372 WeakPolarHBondContact OE1-CD 3.29Å; E366-K372 WeakPolarHBondContact OE1-CE 3.38Å; E366-K372 IonicContact OE1-NZ 2.62Å; E366-K372 PolarHBondContact OE1-NZ 3.46Å; E366-K372 IonicContact OE2-NZ 2.64Å; E366-K372 PolarHBondContact OE2-NZ 2.62Å; S369-K372 PolarHBondContact O-N 2.8Å; S369-K372 VanDerWaalsContact O-N 3.08Å; S369-K372 WeakPolarHBondContact OG-CB 3.43Å; K372-K374 VanDerWaalsContact C-N 3.34Å; K372-K374 PolarHBondContact O-N 3.02Å; K372-E375 WeakPolarHBondContact O-CB 3.35Å; K372-E375 PolarHBondContact O-N 2.63Å; K372-E375 VanDerWaalsContact O-N 3.13Å; K372-D376 WeakPolarHBondContact O-CB 3.38Å; K372-D376 PolarHBondContact O-N 3.01Å
373Y73.1Confident74.9Confident173 Ų173110.4 Ų110.468%0.67855%0.552SS**Hα-helixtrans-58-45172.2179.3-100.2000112.6S369 E375 G377S369-Y373 PolarHBondContact O-N 2.96Å; S369-Y373 VanDerWaalsContact O-N 3.09Å; Y373-E375 VanDerWaalsContact C-N 3.33Å; Y373-E375 PolarHBondContact O-N 3.23Å; Y373-G377 PolarHBondContact O-N 3.1Å
374K78.1Confident74.6Confident130 Ų130106.9 Ų106.957%0.56554%0.541SS*.Hα-helixtrans-67.1-33.1175.9-74.6173.6-176.1177.20112.6D370 N371 K372 K378D370-K374 WeakPolarHBondContact O-CB 3.4Å; D370-K374 VanDerWaalsContact O-CG 3.23Å; D370-K374 WeakPolarHBondContact O-CG 3.43Å; D370-K374 PolarHBondContact O-N 2.77Å; N371-K374 PolarHBondContact O-N 3.04Å; K372-K374 VanDerWaalsContact C-N 3.34Å; K372-K374 PolarHBondContact O-N 3.02Å; K374-K378 VanDerWaalsContact O-CG 3.28Å; K374-K378 WeakPolarHBondContact O-CG 3.48Å; K374-K378 PolarHBondContact O-N 3.07Å
375E80.7Confident74Confident116 Ų116109.5 Ų109.554%0.54255%0.548SS..Hα-helixtrans-69.5-48.7175.8-173.9178-172.800111.6N371 K372 Y373 G377 K378 R379N371-E375 WeakPolarHBondContact O-CB 3.2Å; N371-E375 PolarHBondContact O-N 2.8Å; K372-E375 WeakPolarHBondContact O-CB 3.35Å; K372-E375 PolarHBondContact O-N 2.63Å; K372-E375 VanDerWaalsContact O-N 3.13Å; Y373-E375 VanDerWaalsContact C-N 3.33Å; Y373-E375 PolarHBondContact O-N 3.23Å; E375-G377 VanDerWaalsContact C-N 3.32Å; E375-G377 PolarHBondContact O-N 3.4Å; E375-K378 WeakPolarHBondContact O-CB 3.28Å; E375-K378 PolarHBondContact O-N 3.35Å; E375-K378 VanDerWaalsContact O-N 3.12Å; E375-R379 PolarHBondContact O-N 2.67Å
376D77.6Confident73.3Confident95 Ų95115 Ų11551%0.50856%0.559SS.*Hα-helixtrans-62-40.3176.7-80.1-22000111.3K372 K378 R379 S380K372-D376 WeakPolarHBondContact O-CB 3.38Å; K372-D376 PolarHBondContact O-N 3.01Å; D376-K378 VanDerWaalsContact C-N 3.31Å; D376-K378 PolarHBondContact O-N 3.16Å; D376-R379 CarbonylContact O-C 3.42Å; D376-R379 PolarHBondContact O-N 2.98Å; D376-R379 VanDerWaalsContact O-N 3.11Å; D376-S380 WeakPolarHBondContact O-CB 3.35Å; D376-S380 PolarHBondContact O-N 2.97Å; D376-S380 PolarHBondContact O-OG 2.88Å
377G77Confident72.6Confident30 Ų30114.3 Ų114.331%0.30956%0.563SS.*Hα-helixtrans-57.2-42.117300000112.9Y373 E375 Q381Y373-G377 PolarHBondContact O-N 3.1Å; E375-G377 VanDerWaalsContact C-N 3.32Å; E375-G377 PolarHBondContact O-N 3.4Å; G377-Q381 WeakPolarHBondContact O-CB 3.44Å; G377-Q381 WeakPolarHBondContact O-CG 3.43Å; G377-Q381 PolarHBondContact O-N 3.46Å
378K76.5Confident72.3Confident147 Ų147115 Ų11564%0.63956%0.564SS**Hα-helixtrans-68.7-38.6174.8-68.3168.8-173.9-179.60111.7K374 E375 D376 Q381 S382K374-K378 VanDerWaalsContact O-CG 3.28Å; K374-K378 WeakPolarHBondContact O-CG 3.48Å; K374-K378 PolarHBondContact O-N 3.07Å; E375-K378 WeakPolarHBondContact O-CB 3.28Å; E375-K378 PolarHBondContact O-N 3.35Å; E375-K378 VanDerWaalsContact O-N 3.12Å; D376-K378 VanDerWaalsContact C-N 3.31Å; D376-K378 PolarHBondContact O-N 3.16Å; K378-Q381 PolarHBondContact O-N 3.38Å; K378-S382 PolarHBondContact O-N 3.49Å
379R74.4Confident72.3Confident165 Ų165111.8 Ų111.862%0.62355%0.551SS**Hα-helixtrans-66.5-43.9178.4-164.3171.3-176.192.52.4111.4E375 D376 S382 Q383E375-R379 PolarHBondContact O-N 2.67Å; D376-R379 CarbonylContact O-C 3.42Å; D376-R379 PolarHBondContact O-N 2.98Å; D376-R379 VanDerWaalsContact O-N 3.11Å; R379-S382 PolarHBondContact O-N 3.32Å; R379-S382 VanDerWaalsContact O-N 3.17Å; R379-S382 PolarHBondContact O-OG 3.01Å; R379-Q383 PolarHBondContact O-N 3.38Å; R379-Q383 VanDerWaalsContact O-N 3.09Å
380S71.1Confident72Confident76 Ų76115.4 Ų115.453%0.53157%0.574SS.*Hα-helixtrans-65.5-36.7174.6-61.90000112.5D376 S382 Q383 S384D376-S380 WeakPolarHBondContact O-CB 3.35Å; D376-S380 PolarHBondContact O-N 2.97Å; D376-S380 PolarHBondContact O-OG 2.88Å; S380-S382 VanDerWaalsContact C-N 3.3Å; S380-S382 PolarHBondContact O-N 3.04Å; S380-Q383 CarbonylContact O-C 3.58Å; S380-Q383 PolarHBondContact O-N 2.97Å; S380-Q383 VanDerWaalsContact O-N 3.12Å; S380-S384 PolarHBondContact O-N 3.49Å
381Q67.6Low71.9Confident146 Ų146114.3 Ų114.368%0.68256%0.564SS**Hα-helixtrans-60.7-40.7171.3-75.5171.125.500111.7G377 K378 Q383 S384G377-Q381 WeakPolarHBondContact O-CB 3.44Å; G377-Q381 WeakPolarHBondContact O-CG 3.43Å; G377-Q381 PolarHBondContact O-N 3.46Å; K378-Q381 PolarHBondContact O-N 3.38Å; Q381-Q383 PolarHBondContact O-N 2.61Å; Q381-S384 WeakPolarHBondContact O-CB 3.4Å; Q381-S384 PolarHBondContact O-N 3.18Å
382S63.5Low72.2Confident80 Ų80111.6 Ų111.656%0.55955%0.553SS**Hα-helixtrans-69.1-21.1175.776.50000113.8K378 R379 S380 S387K378-S382 PolarHBondContact O-N 3.49Å; R379-S382 PolarHBondContact O-N 3.32Å; R379-S382 VanDerWaalsContact O-N 3.17Å; R379-S382 PolarHBondContact O-OG 3.01Å; S380-S382 VanDerWaalsContact C-N 3.3Å; S380-S382 PolarHBondContact O-N 3.04Å; S382-S387 WeakPolarHBondContact O-CB 3.5Å; S382-S387 PolarHBondContact O-OG 2.92Å
383Q69.8Low72.4Confident134 Ų134112 Ų11263%0.62657%0.57SS**Hα-helixtrans-100.5-0.5-178.6-148175.65.100113.4R379 S380 Q381R379-Q383 PolarHBondContact O-N 3.38Å; R379-Q383 VanDerWaalsContact O-N 3.09Å; S380-Q383 CarbonylContact O-C 3.58Å; S380-Q383 PolarHBondContact O-N 2.97Å; S380-Q383 VanDerWaalsContact O-N 3.12Å; Q381-Q383 PolarHBondContact O-N 2.61Å
384S72.3Confident72.6Confident49 Ų49111.5 Ų111.534%0.34357%0.574SS.*SBendtrans-56.2146.9178.3177.60000111.8S380 Q381 Y386 S387S380-S384 PolarHBondContact O-N 3.49Å; Q381-S384 WeakPolarHBondContact O-CB 3.4Å; Q381-S384 PolarHBondContact O-N 3.18Å; S384-Y386 PolarHBondContact O-N 3.48Å; S384-S387 PolarHBondContact O-N 3.37Å; S384-S387 PolarHBondContact O-OG 2.95Å
385F67.5Low72.6Confident156 Ų156108.1 Ų108.168%0.68457%0.565SS**G310 helixtrans-50-30.6176.9-171.5-95.9000112.9Q388 L389F385-Q388 PolarHBondContact O-N 3.44Å; F385-L389 HydrophobicContact CE1-CD2 4.43Å
386Y64.3Low72.5Confident189 Ų189107.4 Ų107.474%0.74156%0.561SS**G310 helixtrans-69.8-26.6176.9-72.1-87.5000114.6S384 Q388 L389S384-Y386 PolarHBondContact O-N 3.48Å; Y386-Q388 VanDerWaalsContact C-N 3.29Å; Y386-L389 HydrophobicContact CD1-CD1 4.14Å
387S64.3Low72.8Confident70 Ų70109.8 Ų109.849%0.4957%0.567SS.*G310 helixtrans-78.7-14.2176.771.40000113.2S382 S384S382-S387 WeakPolarHBondContact O-CB 3.5Å; S382-S387 PolarHBondContact O-OG 2.92Å; S384-S387 PolarHBondContact O-N 3.37Å; S384-S387 PolarHBondContact O-OG 2.95Å
388Q69.4Low73Confident140 Ų140110.8 Ų110.865%0.65457%0.573SS**G310 helixtrans-95.1-7.7179.5-61.6178.415.700113.2F385 Y386F385-Q388 PolarHBondContact O-N 3.44Å; Y386-Q388 VanDerWaalsContact C-N 3.29Å
389L73.6Confident73.2Confident88 Ų88109.3 Ų109.346%0.46157%0.566SS.*SBendtrans-70144.7175.6-71171.2000110.5F385 Y386 E391F385-L389 HydrophobicContact CE1-CD2 4.43Å; Y386-L389 HydrophobicContact CD1-CD1 4.14Å; L389-E391 PolarHBondContact O-N 2.94Å
390P70Confident73.5Confident114 Ų114104.9 Ų104.974%0.7456%0.558SS**  trans-56.6126.5173.4-19.730.4000109.6T392P390-T392 PolarHBondContact O-N 3.35Å
391E69.2Low74.1Confident93 Ų93103.3 Ų103.344%0.43555%0.545SS..  trans-59.2115.3176.9-76.4178.9164.100110L389 T395 Q396 K399L389-E391 PolarHBondContact O-N 2.94Å; E391-T395 WeakPolarHBondContact CA-OG1 3.31Å; E391-Q396 HydrophobicContact CB-CG 3.72Å; E391-Q396 HydrophobicContact CG-CG 4.46Å; E391-Q396 WeakPolarHBondContact OE2-CG 3.39Å; E391-Q396 PolarHBondContact OE2-NE2 2.91Å; E391-K399 VanDerWaalsContact OE1-CD 3.27Å; E391-K399 WeakPolarHBondContact OE1-CD 3.48Å; E391-K399 WeakPolarHBondContact OE1-CE 3.32Å; E391-K399 IonicContact OE1-NZ 2.66Å; E391-K399 PolarHBondContact OE1-NZ 3.45Å
392T80.7Confident74.7Confident77 Ų7799.7 Ų99.747%0.47254%0.536SS..  trans-72156.3169.564.50000109.5P390 E394 T395 Q396P390-T392 PolarHBondContact O-N 3.35Å; T392-E394 PolarHBondContact O-N 2.66Å; T392-E394 VanDerWaalsContact O-N 3.11Å; T392-T395 PolarHBondContact N-OG1 3.11Å; T392-T395 PolarHBondContact O-N 3.03Å; T392-T395 PolarHBondContact O-OG1 2.88Å; T392-T395 WeakPolarHBondContact OG1-CG2 3.29Å; T392-T395 PolarHBondContact OG1-N 2.7Å; T392-T395 PolarHBondContact OG1-OG1 3.48Å; T392-Q396 PolarHBondContact O-N 3.41Å
393A79.2Confident75.4Confident84 Ų84100.4 Ų100.469%0.69453%0.53SS*.Hα-helixtrans-54-34.4179.900000113Q396 F397A393-Q396 PolarHBondContact O-N 2.84Å; A393-F397 WeakPolarHBondContact O-CB 3.39Å; A393-F397 PolarHBondContact O-N 3.41Å
394E77.1Confident75.6Confident163 Ų163100.8 Ų100.876%0.76254%0.536SS*.Hα-helixtrans-67.4-40.4174-78.2178.1158.800113.1T392 Q396 F397 A398T392-E394 PolarHBondContact O-N 2.66Å; T392-E394 VanDerWaalsContact O-N 3.11Å; E394-Q396 VanDerWaalsContact C-N 3.34Å; E394-F397 PolarHBondContact O-N 3.31Å; E394-A398 WeakPolarHBondContact O-CB 3.44Å; E394-A398 PolarHBondContact O-N 3.46Å
395T79.2Confident75.6Confident59 Ų59105.5 Ų105.536%0.36255%0.553SS.*Hα-helixtrans-68.8-34.2176.5610000112.2E391 T392 A398 K399E391-T395 WeakPolarHBondContact CA-OG1 3.31Å; T392-T395 PolarHBondContact N-OG1 3.11Å; T392-T395 PolarHBondContact O-N 3.03Å; T392-T395 PolarHBondContact O-OG1 2.88Å; T392-T395 WeakPolarHBondContact OG1-CG2 3.29Å; T392-T395 PolarHBondContact OG1-N 2.7Å; T392-T395 PolarHBondContact OG1-OG1 3.48Å; T395-A398 PolarHBondContact O-N 3.48Å; T395-K399 WeakPolarHBondContact O-CB 3.5Å; T395-K399 WeakPolarHBondContact O-CG 3.42Å; T395-K399 PolarHBondContact O-N 2.89Å
396Q78.9Confident75.8Confident100 Ų100100 Ų10047%0.46753%0.533SS..Hα-helixtrans-65.7-43.6172.7-64.6-161.8-24.200111.1E391 T392 A393 E394 K399 T400E391-Q396 HydrophobicContact CB-CG 3.72Å; E391-Q396 HydrophobicContact CG-CG 4.46Å; E391-Q396 WeakPolarHBondContact OE2-CG 3.39Å; E391-Q396 PolarHBondContact OE2-NE2 2.91Å; T392-Q396 PolarHBondContact O-N 3.41Å; A393-Q396 PolarHBondContact O-N 2.84Å; E394-Q396 VanDerWaalsContact C-N 3.34Å; Q396-K399 PolarHBondContact O-N 3.34Å; Q396-T400 WeakPolarHBondContact O-CG2 3.48Å; Q396-T400 PolarHBondContact O-N 2.91Å; Q396-T400 PolarHBondContact O-OG1 2.87Å
397F82.4Confident75.8Confident145 Ų14597 Ų9764%0.63653%0.526SS*.Hα-helixtrans-61.2-46174.5-179.7-100.9000112.1A393 E394 K399 T400 V401A393-F397 WeakPolarHBondContact O-CB 3.39Å; A393-F397 PolarHBondContact O-N 3.41Å; E394-F397 PolarHBondContact O-N 3.31Å; F397-K399 VanDerWaalsContact C-N 3.28Å; F397-K399 PolarHBondContact O-N 3.27Å; F397-T400 PolarHBondContact O-N 3.13Å; F397-T400 PolarHBondContact O-OG1 3.1Å; F397-V401 HydrophobicContact CD1-CG2 4.19Å; F397-V401 HydrophobicContact CD2-CG2 4.33Å; F397-V401 HydrophobicContact CE1-CG2 3.81Å; F397-V401 HydrophobicContact CE2-CG2 3.96Å; F397-V401 HydrophobicContact CG-CG2 4.44Å; F397-V401 HydrophobicContact CZ-CG2 3.68Å; F397-V401 WeakPolarHBondContact O-CB 3.45Å; F397-V401 VanDerWaalsContact O-CG2 3.22Å; F397-V401 WeakPolarHBondContact O-CG2 3.35Å; F397-V401 PolarHBondContact O-N 3.02Å
398A81.7Confident75.8Confident52 Ų52101.3 Ų101.343%0.4354%0.54SS..Hα-helixtrans-63-3517700000112.6E394 T395 S402E394-A398 WeakPolarHBondContact O-CB 3.44Å; E394-A398 PolarHBondContact O-N 3.46Å; T395-A398 PolarHBondContact O-N 3.48Å; A398-S402 VanDerWaalsContact O-CB 3.28Å; A398-S402 WeakPolarHBondContact O-CB 3.31Å; A398-S402 PolarHBondContact O-N 2.87Å; A398-S402 PolarHBondContact O-OG 3.11Å
399K80.3Confident75.8Confident115 Ų11599.3 Ų99.350%0.553%0.529SS..Hα-helixtrans-68.5-45.7174.4-81.1179.4177.5-174.40112.4E391 T395 Q396 F397 V401 S402 E403E391-K399 VanDerWaalsContact OE1-CD 3.27Å; E391-K399 WeakPolarHBondContact OE1-CD 3.48Å; E391-K399 WeakPolarHBondContact OE1-CE 3.32Å; E391-K399 IonicContact OE1-NZ 2.66Å; E391-K399 PolarHBondContact OE1-NZ 3.45Å; T395-K399 WeakPolarHBondContact O-CB 3.5Å; T395-K399 WeakPolarHBondContact O-CG 3.42Å; T395-K399 PolarHBondContact O-N 2.89Å; Q396-K399 PolarHBondContact O-N 3.34Å; F397-K399 VanDerWaalsContact C-N 3.28Å; F397-K399 PolarHBondContact O-N 3.27Å; K399-V401 VanDerWaalsContact C-N 3.34Å; K399-S402 PolarHBondContact O-N 3.19Å; K399-E403 VanDerWaalsContact O-CB 3.31Å; K399-E403 WeakPolarHBondContact O-CB 3.07Å; K399-E403 PolarHBondContact O-N 2.82Å
400T81Confident75.3Confident72 Ų72103.4 Ų103.444%0.44254%0.54SS..Hα-helixtrans-66-38.6177.756.30000111.6Q396 F397 E403 L404Q396-T400 WeakPolarHBondContact O-CG2 3.48Å; Q396-T400 PolarHBondContact O-N 2.91Å; Q396-T400 PolarHBondContact O-OG1 2.87Å; F397-T400 PolarHBondContact O-N 3.13Å; F397-T400 PolarHBondContact O-OG1 3.1Å; T400-E403 PolarHBondContact O-N 2.69Å; T400-L404 WeakPolarHBondContact O-CB 3.45Å; T400-L404 VanDerWaalsContact O-CG 3.29Å; T400-L404 WeakPolarHBondContact O-CG 3.46Å; T400-L404 PolarHBondContact O-N 3.32Å
401V83.6Confident75.3Confident43 Ų43103.4 Ų103.426%0.26153%0.528SS..Hα-helixtrans-64.3-45.8173172.60000111F397 K399 E403 L404 Q405F397-V401 HydrophobicContact CD1-CG2 4.19Å; F397-V401 HydrophobicContact CD2-CG2 4.33Å; F397-V401 HydrophobicContact CE1-CG2 3.81Å; F397-V401 HydrophobicContact CE2-CG2 3.96Å; F397-V401 HydrophobicContact CG-CG2 4.44Å; F397-V401 HydrophobicContact CZ-CG2 3.68Å; F397-V401 WeakPolarHBondContact O-CB 3.45Å; F397-V401 VanDerWaalsContact O-CG2 3.22Å; F397-V401 WeakPolarHBondContact O-CG2 3.35Å; F397-V401 PolarHBondContact O-N 3.02Å; K399-V401 VanDerWaalsContact C-N 3.34Å; V401-E403 VanDerWaalsContact C-N 3.33Å; V401-E403 PolarHBondContact O-N 3.29Å; V401-L404 PolarHBondContact O-N 2.97Å; V401-Q405 HydrophobicContact CG1-CG 4.37Å; V401-Q405 WeakPolarHBondContact O-CB 3.5Å; V401-Q405 WeakPolarHBondContact O-CG 3.48Å; V401-Q405 PolarHBondContact O-N 3.41Å
402S80.4Confident75.6Confident70 Ų70103.2 Ų103.249%0.4953%0.527SS..Hα-helixtrans-64.4-37176.6-68.30000112.6A398 K399 Q405 S406A398-S402 VanDerWaalsContact O-CB 3.28Å; A398-S402 WeakPolarHBondContact O-CB 3.31Å; A398-S402 PolarHBondContact O-N 2.87Å; A398-S402 PolarHBondContact O-OG 3.11Å; K399-S402 PolarHBondContact O-N 3.19Å; S402-Q405 CarbonylContact O-C 3.53Å; S402-Q405 PolarHBondContact O-N 3.06Å; S402-S406 VanDerWaalsContact O-CB 3.3Å; S402-S406 WeakPolarHBondContact O-CB 3.35Å; S402-S406 PolarHBondContact O-N 3.3Å
403E78.6Confident74.7Confident95 Ų95101.9 Ų101.944%0.44452%0.522SS..Hα-helixtrans-67.9-41.8177.2-172.9165.7-157.600111.4K399 T400 V401 Q405 S406 K409K399-E403 VanDerWaalsContact O-CB 3.31Å; K399-E403 WeakPolarHBondContact O-CB 3.07Å; K399-E403 PolarHBondContact O-N 2.82Å; T400-E403 PolarHBondContact O-N 2.69Å; V401-E403 VanDerWaalsContact C-N 3.33Å; V401-E403 PolarHBondContact O-N 3.29Å; E403-Q405 VanDerWaalsContact C-N 3.34Å; E403-S406 PolarHBondContact O-N 3.01Å; E403-S406 PolarHBondContact O-OG 2.69Å; E403-K409 HydrophobicContact CG-CD 4.11Å; E403-K409 HydrophobicContact CG-CG 4.22Å; E403-K409 WeakPolarHBondContact OE1-CD 3.5Å; E403-K409 VanDerWaalsContact OE1-CE 3.31Å; E403-K409 WeakPolarHBondContact OE1-CE 3.22Å; E403-K409 IonicContact OE1-NZ 2.62Å; E403-K409 PolarHBondContact OE1-NZ 2.99Å
404L73.8Confident74.2Confident143 Ų14399.6 Ų99.675%0.74951%0.506SS*.Hα-helixtrans-63.6-38.6172.2-76.5167.9000112.4T400 V401 S406T400-L404 WeakPolarHBondContact O-CB 3.45Å; T400-L404 VanDerWaalsContact O-CG 3.29Å; T400-L404 WeakPolarHBondContact O-CG 3.46Å; T400-L404 PolarHBondContact O-N 3.32Å; V401-L404 PolarHBondContact O-N 2.97Å; L404-S406 VanDerWaalsContact C-N 3.28Å
405Q71.6Confident73.5Confident148 Ų14898.7 Ų98.769%0.69250%0.5SS*.Hα-helixtrans-76-17.1176.5-72.3175.5-6.200112.9V401 S402 E403 E407V401-Q405 HydrophobicContact CG1-CG 4.37Å; V401-Q405 WeakPolarHBondContact O-CB 3.5Å; V401-Q405 WeakPolarHBondContact O-CG 3.48Å; V401-Q405 PolarHBondContact O-N 3.41Å; S402-Q405 CarbonylContact O-C 3.53Å; S402-Q405 PolarHBondContact O-N 3.06Å; E403-Q405 VanDerWaalsContact C-N 3.34Å; Q405-E407 PolarHBondContact O-N 2.88Å
406S72.8Confident73Confident40 Ų40101.3 Ų101.328%0.2851%0.506SS..  trans-74.5104-179.375.10000110.6S402 E403 L404 M408 K409 Y410S402-S406 VanDerWaalsContact O-CB 3.3Å; S402-S406 WeakPolarHBondContact O-CB 3.35Å; S402-S406 PolarHBondContact O-N 3.3Å; E403-S406 PolarHBondContact O-N 3.01Å; E403-S406 PolarHBondContact O-OG 2.69Å; L404-S406 VanDerWaalsContact C-N 3.28Å; S406-M408 PolarHBondContact O-N 3.14Å; S406-K409 PolarHBondContact O-N 2.86Å; S406-K409 VanDerWaalsContact OG-CB 3.29Å; S406-K409 WeakPolarHBondContact OG-CB 3.27Å; S406-K409 VanDerWaalsContact OG-CG 3.24Å; S406-K409 WeakPolarHBondContact OG-CG 3.45Å; S406-Y410 PolarHBondContact O-N 3.48Å
407E64Low72.1Confident125 Ų125102.9 Ų102.958%0.58451%0.513SS*.Hα-helixtrans-54.9-29.9-180-165.6-171.7156.100112.7Q405 K411Q405-E407 PolarHBondContact O-N 2.88Å; E407-K411 HydrophobicContact CG-CD 4.34Å; E407-K411 WeakPolarHBondContact O-CB 3.4Å; E407-K411 WeakPolarHBondContact O-CG 3.47Å; E407-K411 PolarHBondContact O-N 2.74Å; E407-K411 VanDerWaalsContact OE1-CE 3.28Å; E407-K411 WeakPolarHBondContact OE1-CE 3.39Å; E407-K411 IonicContact OE1-NZ 2.69Å; E407-K411 PolarHBondContact OE1-NZ 3.02Å
408M64.8Low70.9Confident161 Ų16199.5 Ų99.579%0.79351%0.508SS*.Hα-helixtrans-66.8-43.1177-66.1-133.4-57.500113S406 K411 E412S406-M408 PolarHBondContact O-N 3.14Å; M408-K411 PolarHBondContact O-N 3.36Å; M408-E412 WeakPolarHBondContact O-CB 3.35Å; M408-E412 PolarHBondContact O-N 3.05Å
409K68.4Low69.9Low98 Ų98101.3 Ų101.343%0.42651%0.513SS..Hα-helixtrans-69.3-38.6177.9-73.9-101.1-172.6159.70110.9E403 S406 E412 S413E403-K409 HydrophobicContact CG-CD 4.11Å; E403-K409 HydrophobicContact CG-CG 4.22Å; E403-K409 WeakPolarHBondContact OE1-CD 3.5Å; E403-K409 VanDerWaalsContact OE1-CE 3.31Å; E403-K409 WeakPolarHBondContact OE1-CE 3.22Å; E403-K409 IonicContact OE1-NZ 2.62Å; E403-K409 PolarHBondContact OE1-NZ 2.99Å; S406-K409 PolarHBondContact O-N 2.86Å; S406-K409 VanDerWaalsContact OG-CB 3.29Å; S406-K409 WeakPolarHBondContact OG-CB 3.27Å; S406-K409 VanDerWaalsContact OG-CG 3.24Å; S406-K409 WeakPolarHBondContact OG-CG 3.45Å; K409-E412 PolarHBondContact O-N 3Å; K409-S413 PolarHBondContact O-N 3.4Å; K409-S413 PolarHBondContact O-OG 3.36Å; K409-S413 VanDerWaalsContact O-OG 3.11Å
410Y64Low69Low175 Ų175101 Ų10169%0.68652%0.521SS*.Hα-helixtrans-60.6-44.1174.5-178.7-97.9000112.4S406 E412 S413 G414S406-Y410 PolarHBondContact O-N 3.48Å; Y410-E412 VanDerWaalsContact C-N 3.34Å; Y410-S413 WeakPolarHBondContact CA-OG 3.48Å; Y410-S413 PolarHBondContact O-OG 3.5Å; Y410-G414 PolarHBondContact O-N 2.89Å
411K70.6Confident68.1Low113 Ų113100.3 Ų100.349%0.49152%0.519SS..Hα-helixtrans-67.6-33.6174.5-75174.9170.5170.80112.4E407 M408 K415E407-K411 HydrophobicContact CG-CD 4.34Å; E407-K411 WeakPolarHBondContact O-CB 3.4Å; E407-K411 WeakPolarHBondContact O-CG 3.47Å; E407-K411 PolarHBondContact O-N 2.74Å; E407-K411 VanDerWaalsContact OE1-CE 3.28Å; E407-K411 WeakPolarHBondContact OE1-CE 3.39Å; E407-K411 IonicContact OE1-NZ 2.69Å; E407-K411 PolarHBondContact OE1-NZ 3.02Å; M408-K411 PolarHBondContact O-N 3.36Å; K411-K415 WeakPolarHBondContact O-CB 3.18Å; K411-K415 WeakPolarHBondContact O-CD 3.49Å; K411-K415 WeakPolarHBondContact O-CG 3.22Å; K411-K415 PolarHBondContact O-N 2.91Å; K411-K415 VanDerWaalsContact O-N 3.1Å
412E74Confident66.9Low89 Ų89105.3 Ų105.342%0.41654%0.544SS..Hα-helixtrans-72-43.5177-167.8-169.5178.800112.2M408 K409 Y410 K415 K416M408-E412 WeakPolarHBondContact O-CB 3.35Å; M408-E412 PolarHBondContact O-N 3.05Å; K409-E412 PolarHBondContact O-N 3Å; Y410-E412 VanDerWaalsContact C-N 3.34Å; E412-K415 PolarHBondContact O-N 3.42Å; E412-K416 HydrophobicContact CG-CD 4.44Å; E412-K416 WeakPolarHBondContact O-CG 3.4Å; E412-K416 PolarHBondContact O-N 3.02Å; E412-K416 WeakPolarHBondContact OE1-CE 3.43Å; E412-K416 IonicContact OE1-NZ 2.62Å; E412-K416 PolarHBondContact OE1-NZ 3.08Å; E412-K416 IonicContact OE2-NZ 3.09Å
413S62.6Low65.9Low50 Ų50111 Ų11135%0.3556%0.556SS.*Hα-helixtrans-63.8-43175.256.30000111.1K409 Y410 K415 K416 E417K409-S413 PolarHBondContact O-N 3.4Å; K409-S413 PolarHBondContact O-OG 3.36Å; K409-S413 VanDerWaalsContact O-OG 3.11Å; Y410-S413 WeakPolarHBondContact CA-OG 3.48Å; Y410-S413 PolarHBondContact O-OG 3.5Å; S413-K415 VanDerWaalsContact C-N 3.3Å; S413-K415 PolarHBondContact O-N 2.93Å; S413-K416 PolarHBondContact O-N 3.05Å; S413-K416 VanDerWaalsContact O-N 3.13Å; S413-E417 WeakPolarHBondContact O-CB 3.25Å; S413-E417 WeakPolarHBondContact O-CG 3.47Å; S413-E417 PolarHBondContact O-N 3.25Å
414G67.7Low64.8Low36 Ų36109.7 Ų109.737%0.37156%0.557SS.*Hα-helixtrans-60.7-36.7173.400000113.2Y410 S418Y410-G414 PolarHBondContact O-N 2.89Å; G414-S418 PolarHBondContact O-N 3.14Å
415K62.9Low64.1Low143 Ų143107.7 Ų107.762%0.62255%0.551SS**Hα-helixtrans-68.3-42.4172.4-74.9170-175.5-177.70112K411 E412 S413 E417 S418 V419K411-K415 WeakPolarHBondContact O-CB 3.18Å; K411-K415 WeakPolarHBondContact O-CD 3.49Å; K411-K415 WeakPolarHBondContact O-CG 3.22Å; K411-K415 PolarHBondContact O-N 2.91Å; K411-K415 VanDerWaalsContact O-N 3.1Å; E412-K415 PolarHBondContact O-N 3.42Å; S413-K415 VanDerWaalsContact C-N 3.3Å; S413-K415 PolarHBondContact O-N 2.93Å; K415-E417 VanDerWaalsContact C-N 3.33Å; K415-E417 PolarHBondContact O-N 3.44Å; K415-S418 WeakPolarHBondContact O-CB 3.36Å; K415-S418 PolarHBondContact O-N 2.72Å; K415-S418 PolarHBondContact O-OG 3.14Å; K415-V419 WeakPolarHBondContact O-CG2 3.47Å; K415-V419 PolarHBondContact O-N 3.41Å; K415-V419 VanDerWaalsContact O-N 3.09Å
416K68.3Low63.8Low115 Ų115105.8 Ų105.850%0.555%0.545SS..Hα-helixtrans-63.2-40.7176.5-73.6172.1-176.7165.40111.5E412 S413 S418 V419 T420E412-K416 HydrophobicContact CG-CD 4.44Å; E412-K416 WeakPolarHBondContact O-CG 3.4Å; E412-K416 PolarHBondContact O-N 3.02Å; E412-K416 WeakPolarHBondContact OE1-CE 3.43Å; E412-K416 IonicContact OE1-NZ 2.62Å; E412-K416 PolarHBondContact OE1-NZ 3.08Å; E412-K416 IonicContact OE2-NZ 3.09Å; S413-K416 PolarHBondContact O-N 3.05Å; S413-K416 VanDerWaalsContact O-N 3.13Å; K416-S418 VanDerWaalsContact C-N 3.32Å; K416-S418 PolarHBondContact O-N 2.86Å; K416-V419 PolarHBondContact O-N 3.15Å; K416-V419 VanDerWaalsContact O-N 3.11Å; K416-T420 PolarHBondContact O-N 2.61Å; K416-T420 PolarHBondContact O-OG1 3.09Å; K416-T420 VanDerWaalsContact O-OG1 3.12Å
417E60.6Low63.2Low133 Ų133109 Ų10962%0.62157%0.565SS**Hα-helixtrans-65.1-34.4173.8-73.7173.5-173.800112.4S413 K415 V419 T420 S421S413-E417 WeakPolarHBondContact O-CB 3.25Å; S413-E417 WeakPolarHBondContact O-CG 3.47Å; S413-E417 PolarHBondContact O-N 3.25Å; K415-E417 VanDerWaalsContact C-N 3.33Å; K415-E417 PolarHBondContact O-N 3.44Å; E417-V419 VanDerWaalsContact C-N 3.28Å; E417-V419 PolarHBondContact O-N 2.87Å; E417-T420 WeakPolarHBondContact CA-OG1 3.34Å; E417-T420 PolarHBondContact O-OG1 3.48Å; E417-S421 PolarHBondContact O-N 3.19Å
418S58.1Low63.1Low74 Ų74108.3 Ų108.352%0.51756%0.561SS.*Hα-helixtrans-66.6-29.2171.778.40000113.1G414 K415 K416 S421G414-S418 PolarHBondContact O-N 3.14Å; K415-S418 WeakPolarHBondContact O-CB 3.36Å; K415-S418 PolarHBondContact O-N 2.72Å; K415-S418 PolarHBondContact O-OG 3.14Å; K416-S418 VanDerWaalsContact C-N 3.32Å; K416-S418 PolarHBondContact O-N 2.86Å; S418-S421 WeakPolarHBondContact O-CB 3.5Å
419V61Low63.5Low90 Ų90104.2 Ų104.255%0.54555%0.546SS..Hα-helixtrans-85.7-30.6178.9176.50000112K415 K416 E417 S424K415-V419 WeakPolarHBondContact O-CG2 3.47Å; K415-V419 PolarHBondContact O-N 3.41Å; K415-V419 VanDerWaalsContact O-N 3.09Å; K416-V419 PolarHBondContact O-N 3.15Å; K416-V419 VanDerWaalsContact O-N 3.11Å; E417-V419 VanDerWaalsContact C-N 3.28Å; E417-V419 PolarHBondContact O-N 2.87Å; V419-S424 WeakPolarHBondContact O-CB 3.35Å; V419-S424 PolarHBondContact O-OG 2.98Å
420T59.7Low63.5Low109 Ų109105.6 Ų105.667%0.66956%0.557SS**Hα-helixtrans-84.5-10.3173.855.30000113.5K416 E417 L422K416-T420 PolarHBondContact O-N 2.61Å; K416-T420 PolarHBondContact O-OG1 3.09Å; K416-T420 VanDerWaalsContact O-OG1 3.12Å; E417-T420 WeakPolarHBondContact CA-OG1 3.34Å; E417-T420 PolarHBondContact O-OG1 3.48Å; T420-L422 PolarHBondContact O-N 3.49Å
421S62.5Low63.7Low57 Ų57104.2 Ų104.240%0.39956%0.557SS.*SBendtrans-51.9134.4167.81760000110.6E417 S418 Y423 S424E417-S421 PolarHBondContact O-N 3.19Å; S418-S421 WeakPolarHBondContact O-CB 3.5Å; S421-Y423 PolarHBondContact O-N 3.25Å; S421-S424 WeakPolarHBondContact O-CB 3.45Å; S421-S424 PolarHBondContact O-N 3.35Å
422L58.5Low63.9Low148 Ų148101.6 Ų101.678%0.77555%0.55SS**THydrogen-bonded Turntrans-51.7-18.7179.5-74.9165000113.9T420 T425T420-L422 PolarHBondContact O-N 3.49Å; L422-T425 PolarHBondContact O-OG1 3.13Å
423Y58.8Low63.9Low190 Ų190101.7 Ų101.775%0.74555%0.551SS**THydrogen-bonded Turntrans-78.2-27.9179.4-146.4-95.9000113.6S421 L426S421-Y423 PolarHBondContact O-N 3.25Å; Y423-L426 HydrophobicContact CD2-CD1 4.32Å
424S56.3Low64.5Low67 Ų67107 Ų10747%0.46956%0.563SS.*THydrogen-bonded Turntrans-78.2-25.3-179159.80000112.8V419 S421V419-S424 WeakPolarHBondContact O-CB 3.35Å; V419-S424 PolarHBondContact O-OG 2.98Å; S421-S424 WeakPolarHBondContact O-CB 3.45Å; S421-S424 PolarHBondContact O-N 3.35Å
425T59.4Low64.7Low101 Ų101107.9 Ų107.962%0.6257%0.567SS**SBendtrans-93.1-1-178.956.30000114L422L422-T425 PolarHBondContact O-OG1 3.13Å
426L64.3Low65.3Low108 Ų108107 Ų10757%0.56556%0.563SS**SBendtrans-70.9139.4176.2-76.3167.2000110.4Y423 E428Y423-L426 HydrophobicContact CD2-CD1 4.32Å; L426-E428 PolarHBondContact O-N 2.84Å
427P61.8Low65.8Low108 Ų108106.9 Ų106.970%0.70156%0.564SS**PPolyproline II helixtrans-61131.6176.99-6.3000109.6T429P427-T429 PolarHBondContact O-N 3.46Å; P427-T429 VanDerWaalsContact O-N 3.1Å
428E60.7Low66.5Low109 Ų109102.9 Ų102.951%0.50956%0.555SS.*PPolyproline II helixtrans-53.9118.2179.5-105.5176169.600110L426 K436L426-E428 PolarHBondContact O-N 2.84Å; E428-K436 WeakPolarHBondContact OE1-CD 3.41Å; E428-K436 WeakPolarHBondContact OE1-CE 3.47Å; E428-K436 IonicContact OE1-NZ 3.45Å; E428-K436 PolarHBondContact OE1-NZ 3.35Å
429T72.4Confident67.3Low76 Ų76103.1 Ų103.147%0.46655%0.553SS.*PPolyproline II helixtrans-83.5156.7176.763.80000109.2P427 E431 T432 Q433P427-T429 PolarHBondContact O-N 3.46Å; P427-T429 VanDerWaalsContact O-N 3.1Å; T429-E431 PolarHBondContact O-N 3.5Å; T429-T432 PolarHBondContact N-OG1 2.84Å; T429-T432 PolarHBondContact O-N 2.9Å; T429-T432 PolarHBondContact O-OG1 2.98Å; T429-T432 PolarHBondContact OG1-N 3.37Å; T429-T432 PolarHBondContact OG1-OG1 3.33Å; T429-Q433 PolarHBondContact O-N 3.48Å
430L69.5Low67.8Low126 Ų126104.5 Ų104.566%0.6655%0.553SS**Hα-helixtrans-55.8-23.8177.3-84.4167000113.2R434L430-R434 WeakPolarHBondContact O-CB 3.39Å; L430-R434 PolarHBondContact O-N 2.95Å
431E67.8Low68.5Low146 Ų146104.7 Ų104.768%0.68255%0.55SS*.Hα-helixtrans-75.5-44.6175-125.6118.7-154.700111.9T429 Q433 R434 A435T429-E431 PolarHBondContact O-N 3.5Å; E431-Q433 VanDerWaalsContact C-N 3.29Å; E431-Q433 PolarHBondContact O-N 3.32Å; E431-R434 PolarHBondContact O-N 2.77Å; E431-A435 WeakPolarHBondContact O-CB 3.37Å; E431-A435 PolarHBondContact O-N 3.02Å
432T74.4Confident68.1Low58 Ų58108.4 Ų108.436%0.35656%0.561SS.*Hα-helixtrans-68.9-32.2178.158.10000111.4T429 A435 K436T429-T432 PolarHBondContact N-OG1 2.84Å; T429-T432 PolarHBondContact O-N 2.9Å; T429-T432 PolarHBondContact O-OG1 2.98Å; T429-T432 PolarHBondContact OG1-N 3.37Å; T429-T432 PolarHBondContact OG1-OG1 3.33Å; T432-A435 PolarHBondContact O-N 3.11Å; T432-K436 PolarHBondContact O-N 2.97Å
433Q74.9Confident68Low91 Ų91104.1 Ų104.143%0.42554%0.543SS..Hα-helixtrans-68-45.4174.6-157.1170.825.400111.7T429 E431 A435 K436 E437T429-Q433 PolarHBondContact O-N 3.48Å; E431-Q433 VanDerWaalsContact C-N 3.29Å; E431-Q433 PolarHBondContact O-N 3.32Å; Q433-A435 VanDerWaalsContact C-N 3.34Å; Q433-A435 PolarHBondContact O-N 3.42Å; Q433-K436 WeakPolarHBondContact O-CB 3.36Å; Q433-K436 PolarHBondContact O-N 3.49Å; Q433-E437 PolarHBondContact O-N 2.88Å
434R74.3Confident67.7Low162 Ų162100.4 Ų100.461%0.61153%0.533SS*.Hα-helixtrans-62.3-38.6173.2-85.9-168.4-84.8-169.8-2.9112.8L430 E431 K436 E437 A438L430-R434 WeakPolarHBondContact O-CB 3.39Å; L430-R434 PolarHBondContact O-N 2.95Å; E431-R434 PolarHBondContact O-N 2.77Å; R434-K436 VanDerWaalsContact C-N 3.35Å; R434-E437 PolarHBondContact O-N 3.12Å; R434-A438 VanDerWaalsContact O-CB 3.31Å; R434-A438 WeakPolarHBondContact O-CB 3.28Å; R434-A438 PolarHBondContact O-N 3.49Å
435A71.8Confident67.7Low55 Ų55102.3 Ų102.346%0.45554%0.541SS..Hα-helixtrans-66.2-36.7175.500000112.2E431 T432 Q433 T439E431-A435 WeakPolarHBondContact O-CB 3.37Å; E431-A435 PolarHBondContact O-N 3.02Å; T432-A435 PolarHBondContact O-N 3.11Å; Q433-A435 VanDerWaalsContact C-N 3.34Å; Q433-A435 PolarHBondContact O-N 3.42Å; A435-T439 WeakPolarHBondContact O-CB 3.35Å; A435-T439 WeakPolarHBondContact O-CG2 3.4Å; A435-T439 PolarHBondContact O-N 2.94Å; A435-T439 PolarHBondContact O-OG1 3.48Å
436K75.9Confident67.2Low123 Ų123102.4 Ų102.454%0.53554%0.542SS..Hα-helixtrans-65.6-45.5172.6-108.3-178.8179.4173.80112.4E428 T432 Q433 R434 A438 T439 Q440E428-K436 WeakPolarHBondContact OE1-CD 3.41Å; E428-K436 WeakPolarHBondContact OE1-CE 3.47Å; E428-K436 IonicContact OE1-NZ 3.45Å; E428-K436 PolarHBondContact OE1-NZ 3.35Å; T432-K436 PolarHBondContact O-N 2.97Å; Q433-K436 WeakPolarHBondContact O-CB 3.36Å; Q433-K436 PolarHBondContact O-N 3.49Å; R434-K436 VanDerWaalsContact C-N 3.35Å; K436-A438 VanDerWaalsContact C-N 3.34Å; K436-A438 PolarHBondContact O-N 2.92Å; K436-T439 WeakPolarHBondContact CA-OG1 3.45Å; K436-T439 PolarHBondContact O-N 2.98Å; K436-T439 PolarHBondContact O-OG1 2.94Å; K436-Q440 VanDerWaalsContact O-CB 3.28Å; K436-Q440 WeakPolarHBondContact O-CB 3.43Å; K436-Q440 PolarHBondContact O-N 3.44Å
437E80.2Confident66.2Low113 Ų113102.6 Ų102.653%0.52855%0.551SS.*Hα-helixtrans-62.6-42.8176.4-73.3177.317500111.2Q433 R434 T439 Q440 L441Q433-E437 PolarHBondContact O-N 2.88Å; R434-E437 PolarHBondContact O-N 3.12Å; E437-T439 PolarHBondContact O-N 3.21Å; E437-Q440 PolarHBondContact O-N 2.67Å; E437-L441 WeakPolarHBondContact O-CB 3.23Å; E437-L441 VanDerWaalsContact O-CG 3.23Å; E437-L441 WeakPolarHBondContact O-CG 3.31Å; E437-L441 PolarHBondContact O-N 2.85Å
438A75Confident65.4Low50 Ų50100.9 Ų100.941%0.41354%0.541SS..Hα-helixtrans-63.2-40.7176.100000112.8R434 K436 L441 Q442R434-A438 VanDerWaalsContact O-CB 3.31Å; R434-A438 WeakPolarHBondContact O-CB 3.28Å; R434-A438 PolarHBondContact O-N 3.49Å; K436-A438 VanDerWaalsContact C-N 3.34Å; K436-A438 PolarHBondContact O-N 2.92Å; A438-L441 PolarHBondContact O-N 3.43Å; A438-Q442 WeakPolarHBondContact O-CG 3.43Å; A438-Q442 PolarHBondContact O-N 2.86Å
439T73.4Confident64.5Low78 Ų78102.9 Ų102.948%0.47957%0.568SS.*Hα-helixtrans-73.8-32.3177.5460000112.6A435 K436 E437 Q442 S443A435-T439 WeakPolarHBondContact O-CB 3.35Å; A435-T439 WeakPolarHBondContact O-CG2 3.4Å; A435-T439 PolarHBondContact O-N 2.94Å; A435-T439 PolarHBondContact O-OG1 3.48Å; K436-T439 WeakPolarHBondContact CA-OG1 3.45Å; K436-T439 PolarHBondContact O-N 2.98Å; K436-T439 PolarHBondContact O-OG1 2.94Å; E437-T439 PolarHBondContact O-N 3.21Å; T439-Q442 PolarHBondContact O-N 3.45Å; T439-S443 PolarHBondContact O-N 3.39Å
440Q72.9Confident64.1Low120 Ų120104.3 Ų104.356%0.56157%0.573SS**Hα-helixtrans-71.6-32.6173.3-171.2168.916.400112.4K436 E437 S443 Q444K436-Q440 VanDerWaalsContact O-CB 3.28Å; K436-Q440 WeakPolarHBondContact O-CB 3.43Å; K436-Q440 PolarHBondContact O-N 3.44Å; E437-Q440 PolarHBondContact O-N 2.67Å; Q440-S443 PolarHBondContact O-OG 3.2Å; Q440-Q444 WeakPolarHBondContact O-CG 3.49Å; Q440-Q444 PolarHBondContact O-N 3.46Å; Q440-Q444 VanDerWaalsContact O-N 3.14Å
441L72.9Confident63.8Low113 Ų113103.1 Ų103.159%0.59257%0.568SS**Hα-helixtrans-67.2-41.4168.7-72.6169.2000110.8E437 A438 Q444 V445E437-L441 WeakPolarHBondContact O-CB 3.23Å; E437-L441 VanDerWaalsContact O-CG 3.23Å; E437-L441 WeakPolarHBondContact O-CG 3.31Å; E437-L441 PolarHBondContact O-N 2.85Å; A438-L441 PolarHBondContact O-N 3.43Å; L441-Q444 PolarHBondContact O-N 2.94Å; L441-V445 WeakPolarHBondContact O-CG2 3.2Å; L441-V445 PolarHBondContact O-N 3Å; L441-V445 VanDerWaalsContact O-N 3.08Å
442Q55.8Low63.6Low134 Ų134100.7 Ų100.763%0.62656%0.562SS**Hα-helixtrans-64.6-38.7174.6-79.7-178.4-17.600113.1A438 T439 V445 T446A438-Q442 WeakPolarHBondContact O-CG 3.43Å; A438-Q442 PolarHBondContact O-N 2.86Å; T439-Q442 PolarHBondContact O-N 3.45Å; Q442-V445 WeakPolarHBondContact O-CB 3.44Å; Q442-V445 PolarHBondContact O-N 3.49Å; Q442-T446 WeakPolarHBondContact O-CG2 3.49Å; Q442-T446 PolarHBondContact O-N 3.44Å; Q442-T446 PolarHBondContact O-OG1 2.97Å
443S55.2Low63Low59 Ų59103.2 Ų103.241%0.41357%0.574SS.*Hα-helixtrans-72.3-30.8179.270.30000113.1T439 Q440 V445 T446 C447T439-S443 PolarHBondContact O-N 3.39Å; Q440-S443 PolarHBondContact O-OG 3.2Å; S443-V445 VanDerWaalsContact C-N 3.34Å; S443-T446 WeakPolarHBondContact CA-OG1 3.48Å; S443-T446 PolarHBondContact O-N 2.88Å; S443-T446 PolarHBondContact O-OG1 3.1Å; S443-C447 PolarHBondContact O-N 3.33Å; S443-C447 VanDerWaalsContact O-N 3.13Å
444Q53.2Low62.2Low111 Ų111104 Ų10452%0.51958%0.583SS.*Hα-helixtrans-68.2-34.8169.8-74.9178.852.800111.9Q440 L441 T446 C447 S448Q440-Q444 WeakPolarHBondContact O-CG 3.49Å; Q440-Q444 PolarHBondContact O-N 3.46Å; Q440-Q444 VanDerWaalsContact O-N 3.14Å; L441-Q444 PolarHBondContact O-N 2.94Å; Q444-T446 VanDerWaalsContact C-N 3.34Å; Q444-C447 PolarHBondContact O-N 2.99Å; Q444-S448 WeakPolarHBondContact O-CB 3.47Å; Q444-S448 PolarHBondContact O-N 3.37Å; Q444-S448 PolarHBondContact O-OG 3.01Å
445V56.3Low61.4Low108 Ų108100.1 Ų100.166%0.65558%0.581SS**Hα-helixtrans-67.3-34.4174.5171.10000111.6L441 Q442 S443L441-V445 WeakPolarHBondContact O-CG2 3.2Å; L441-V445 PolarHBondContact O-N 3Å; L441-V445 VanDerWaalsContact O-N 3.08Å; Q442-V445 WeakPolarHBondContact O-CB 3.44Å; Q442-V445 PolarHBondContact O-N 3.49Å; S443-V445 VanDerWaalsContact C-N 3.34Å
446T48.7Very low60.7Low103 Ų103103.4 Ų103.463%0.63259%0.591SS**Hα-helixtrans-81.8-20.2177.7580000114.7Q442 S443 Q444Q442-T446 WeakPolarHBondContact O-CG2 3.49Å; Q442-T446 PolarHBondContact O-N 3.44Å; Q442-T446 PolarHBondContact O-OG1 2.97Å; S443-T446 WeakPolarHBondContact CA-OG1 3.48Å; S443-T446 PolarHBondContact O-N 2.88Å; S443-T446 PolarHBondContact O-OG1 3.1Å; Q444-T446 VanDerWaalsContact C-N 3.34Å
447C43.5Very low59.5Low112 Ų112101.8 Ų101.876%0.75760%0.595SS**Hα-helixtrans-88.8-7.5173.9-80.10000113.9S443 Q444S443-C447 PolarHBondContact O-N 3.33Å; S443-C447 VanDerWaalsContact O-N 3.13Å; Q444-C447 PolarHBondContact O-N 2.99Å
448S44.4Very low57.8Low71 Ų71100.9 Ų100.950%0.49760%0.6SS.*  trans-104.417.1179.9-47.90000113.2K326 Q444K326-S448 PolarHBondContact NZ-O 3.08Å; Q444-S448 WeakPolarHBondContact O-CB 3.47Å; Q444-S448 PolarHBondContact O-N 3.37Å; Q444-S448 PolarHBondContact O-OG 3.01Å
449S42.3Very low56.3Low152 Ų152105.5 Ų105.5100%1.06362%0.617SS**  trans-124.30171.9-169.90000109.4

Retrieved 449 of 449 residues in 87.6 ms (Link to these results)