A0A3Q0KN08_SCHMA Loading...

Putative ataxin 2-binding protein (Hexaribonucleotide binding protein 1) AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KN08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 760 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.5Very low40.5Very low226 Ų226141.5 Ų141.5100%1.11381%0.814SS**  0132.70-71.3167.6167.900107.2
2F42.7Very low40.8Very low193 Ų193144.9 Ų144.985%0.84683%0.825SS**  trans34.196.1171.3-53.7-73.4000116.8
3S35.9Very low40.8Very low114 Ų114146.4 Ų146.480%0.79782%0.824SS**  cis77.2134.144.1-46.20000114.4
4S38.5Very low40.7Very low122 Ų122144.6 Ų144.685%0.85382%0.817SS**  trans-84.8167.6-162.4-38.90000115.7
5T52.8Low40.9Very low139 Ų139142.8 Ų142.885%0.85381%0.814SS**  trans-132.3128.6166-21.30000111.3
6S40.9Very low40.7Very low101 Ų101140.9 Ų140.971%0.70681%0.812SS**  trans-108.9-152.1162-42.70000107
7P47.2Very low40.4Very low112 Ų112140.8 Ų140.873%0.72781%0.814SS**  cis-113.5-178.5-6.941.9-24.6000111.1
8I39Very low40.4Very low149 Ų149140.3 Ų140.376%0.76481%0.814SS**  cis63.1106.743.8-47.6173.7000115.1
9N39.2Very low40.1Very low158 Ų158138.8 Ų138.885%0.84581%0.812SS**  -165.2175.7128.5-133.2-29.6000113.9
10S36.4Very low39.8Very low88 Ų88137.2 Ų137.262%0.61581%0.809SS**  trans-141.2170.4-167.4-52.30000114.9
11N37.7Very low39.8Very low155 Ų155136.5 Ų136.583%0.82981%0.811SS**  trans69.9115.7162.2-59.2-24.6000119.7
12L43.9Very low39.9Very low182 Ų182131 Ų13195%0.95380%0.795SS**  -154.6174.4129-138.165.8000110.4
13M40.6Very low39.9Very low164 Ų164127.3 Ų127.381%0.80879%0.793SS**  trans-162.9132.7-139.7167-178.815200114
14V39.8Very low39.9Very low121 Ų121128.5 Ų128.573%0.73379%0.79SS**  trans70.5159.1156.1166.20000115.3
15P44Very low40.2Very low118 Ų118129.7 Ų129.777%0.76679%0.793SS**  cis-124.7-179.1619.56.6000118.2
16S36.3Very low39.4Very low112 Ų112129.1 Ų129.178%0.78378%0.783SS**  trans-72.2161.2177.3-21.90000116.8
17T37.2Very low39.5Very low139 Ų139132.7 Ų132.785%0.85379%0.793SS**  trans-166.3151.4135.222.30000114.4
18V38.7Very low38.9Very low132 Ų132131.8 Ų131.880%0.879%0.789SS**  trans-24.9164.4162.1-72.50000119.8
19S34.6Very low39.3Very low112 Ų112130.7 Ų130.778%0.78380%0.795SS**  cis-159.6179.912.3-131.80000115.9
20S35.5Very low39.4Very low107 Ų107129.2 Ų129.275%0.74879%0.792SS**  trans-73.6158-177.855.70000119.7
21S39.3Very low39.7Very low123 Ų123131.7 Ų131.786%0.8680%0.803SS**  trans-168.6151.5138.557.70000113.7
22S38.2Very low39.9Very low109 Ų109128 Ų12876%0.76280%0.801SS**  trans-120.3159.1-174.6-49.10000114.3
23S41.2Very low39.7Very low117 Ų117126.2 Ų126.282%0.81880%0.798SS**  trans-174.5119.9151.2-72.20000107.5
24D37.8Very low40Very low138 Ų138124.1 Ų124.174%0.73880%0.797SS**  77.9115.352.5-74.6-55.6000115.9
25T43.1Very low39.9Very low147 Ų147123.3 Ų123.390%0.90280%0.802SS**  trans-158.6131.9147.1-72.60000110
26I37.3Very low39.5Very low128 Ų128123.9 Ų123.966%0.65680%0.799SS**  trans-95.6143.6-164.7-65.8157.7000112.3S28I26-S28 VanDerWaalsContact CG2-OG 3.27Å; I26-S28 WeakPolarHBondContact CG2-OG 3.27Å
27I42.8Very low39.6Very low176 Ų176126.7 Ų126.790%0.90380%0.797SS**  trans-137138.7133.9-61.3-171.3000108
28S35.3Very low39.6Very low93 Ų93124.8 Ų124.865%0.6579%0.79SS**  trans-113.2144.3-165.5-55.80000114.5I26I26-S28 VanDerWaalsContact CG2-OG 3.27Å; I26-S28 WeakPolarHBondContact CG2-OG 3.27Å
29S47.1Very low39.5Very low126 Ų126123.8 Ų123.888%0.88179%0.788SS**  trans-138.596.9165-65.90000111.4
30T41.5Very low39.7Very low127 Ų127122.7 Ų122.778%0.77978%0.781SS**  trans-80.5150.1163.9540000109.1
31T42.8Very low39.8Very low140 Ų140124.6 Ų124.686%0.85979%0.788SS**  cis-164.7162.244.744.70000110.6
32G40.1Very low39.8Very low77 Ų77121.6 Ų121.679%0.79478%0.777SS**  trans156.269.816300000119.1
33V41.3Very low39.7Very low145 Ų145122.4 Ų122.488%0.87978%0.782SS**  trans-51.6152.4-175176.80000117.1
34P45.2Very low39.4Very low120 Ų120121.7 Ų121.778%0.77978%0.777SS**  trans-118.5172.3-167.144-33.9000117.5
35A39.3Very low39.4Very low103 Ų103121.8 Ų121.885%0.85178%0.783SS**  trans-179.1158.315700000110.5
36N35.8Very low39Very low131 Ų131119.1 Ų119.170%0.70178%0.776SS**  cis-166.4175.4-27.2-172.721.1000108.7
37F38.1Very low39Very low171 Ų171121.9 Ų121.975%0.7579%0.786SS**  trans88.699.9165.4-64.6-76.4000121.4
38S36.6Very low38.9Very low99 Ų99118 Ų11869%0.69277%0.773SS**  -13.8159.5123.352.30000118.7
39S36.8Very low39Very low110 Ų110120.5 Ų120.577%0.76978%0.784SS**  cis176.9-179.5-7.662.80000107.4
40S39.1Very low38.2Very low90 Ų90117.9 Ų117.963%0.62978%0.777SS**  cis-172.7167.7-11.432.40000109.3
41T38.1Very low38Very low147 Ų147118 Ų11890%0.90278%0.777SS**  trans62.6145.6164.948.50000118.5
42G37.4Very low37.5Very low60 Ų60116.6 Ų116.662%0.61977%0.768SS**  cis159.4159.8-8.700000113.2
43S37.2Very low37.1Very low125 Ų125122.3 Ų122.387%0.87477%0.767SS**  trans67.5153.8169.378.30000117.8
44S35.4Very low36.7Very low102 Ų102120.7 Ų120.771%0.71376%0.758SS**  cis-170.3175.6-19.254.20000112.2
45T36.3Very low36.2Very low140 Ų140123.1 Ų123.186%0.85976%0.756SS**  trans86.2160.3157.7-49.20000117
46A36.6Very low36Very low91 Ų91123.1 Ų123.175%0.75274%0.742SS**  trans-146.4-164.1-151.100000114.4
47Q36Very low36.1Very low187 Ų187124.1 Ų124.187%0.87474%0.742SS**  trans93150.2177.6-68.2-93.1-74.100116.7
48P41.5Very low36Very low95 Ų95123.2 Ų123.262%0.61774%0.74SS**  trans-138.4-159.7-142.940.2-18.3000116
49T35.9Very low35.9Very low145 Ų145124.7 Ų124.789%0.8974%0.741SS**  trans91.3135.716874.30000118.1
50G31.7Very low35.8Very low71 Ų71126.1 Ų126.173%0.73274%0.738SS**  trans143112.9161.300000118.5
51V36.1Very low35.6Very low130 Ų130130.6 Ų130.679%0.78875%0.749SS**  trans66.694.8142.8-162.10000121.4
52T32.8Very low35.1Very low110 Ų110132.3 Ų132.368%0.67574%0.744SS**  26154.3116.8-33.40000123.4
53Y32.7Very low35.1Very low196 Ų196135.5 Ų135.577%0.76976%0.757SS**  trans89.9143.6163.8-59.9-78000117.7
54T33.1Very low34.7Very low112 Ų112136.2 Ų136.269%0.68775%0.751SS**  cis-176.4142.6-44.7290000110.7
55K34.1Very low34.7Very low170 Ų170137 Ų13774%0.73975%0.752SS**  trans77.3150.8145.1-101.9178139.6-73.50123.5
56D34.5Very low34.6Very low103 Ų103136 Ų13655%0.55175%0.746SS**  trans73.5110.1152.6-57-22.5000118.8
57H37.2Very low34.5Very low153 Ų153136.3 Ų136.371%0.70874%0.742SS**  79.1137.691-90.3-96.1000112.9
58E36.6Very low34.5Very low152 Ų152133.4 Ų133.471%0.7174%0.737SS**  cis-163.4-152.7-5.651.3-158.9123.600113.5
59D35Very low33.9Very low130 Ų130134.1 Ų134.170%0.69574%0.744SS**  trans93.595.4167.5-67-46.5000124.3
60I34Very low33.9Very low139 Ų139134.4 Ų134.471%0.71374%0.739SS**  48.5118.4115.6-59.2171.8000120.8
61Q34.5Very low34.1Very low185 Ų185137.6 Ų137.686%0.86474%0.739SS**  -174.7-178.992.8-141.2167.734.900113.9
62F28.7Very low33.9Very low183 Ų183137.4 Ų137.480%0.80374%0.74SS**  trans-103.8158.3-161-93.1-104.7000116
63S37.4Very low33.9Very low127 Ų127139 Ų13989%0.88875%0.749SS**  trans-154.5152.8140.2-79.40000110.1
64N28.2Very low34Very low140 Ų140133.6 Ų133.675%0.74975%0.746SS**  trans-141.1-177.6-167.5-167.510.4000111.7
65T35.2Very low33.9Very low119 Ų119134.3 Ų134.373%0.7375%0.745SS**  trans77.7136.1177.663.10000116.2
66T34.6Very low34Very low119 Ų119133.5 Ų133.573%0.7375%0.748SS**  cis-153.4157.7-4.1-98.40000112.4
67S34.9Very low33.8Very low96 Ų96134 Ų13467%0.67176%0.758SS**  trans-27.7177.3166.6-350000119.6
68T36Very low33.8Very low126 Ų126131.1 Ų131.177%0.77375%0.751SS**  cis-169.4161.520.10.20000107.3
69C27.6Very low33.8Very low111 Ų111132.1 Ų132.175%0.7575%0.753SS**  cis-173.4169.2-34.860.90000107.9
70L37.7Very low33.7Very low150 Ų150132 Ų13279%0.78576%0.757SS**  trans-173.8136.3149.9-104.7167.9000111.6
71N35.6Very low33.9Very low138 Ų138131.7 Ų131.774%0.73876%0.755SS**  trans50.992.8162.2-61.8-17.6000121.1
72P31.8Very low33.9Very low126 Ų126129.2 Ų129.282%0.81875%0.748SS**  trans-102.972.7167.638.1-30.6000113.1
73V31.8Very low34.2Very low143 Ų143129.5 Ų129.587%0.86775%0.752SS**  trans-135.359.6175.7-164.70000111.3
74A35Very low34Very low84 Ų84129.8 Ų129.869%0.69475%0.748SS**SBendtrans-153.3-30.9175.400000113.9I76A74-I76 PolarHBondContact O-N 3.38Å
75D31.2Very low34.2Very low126 Ų126132.6 Ų132.667%0.67476%0.757SS**THydrogen-bonded Turntrans-91.113.6-159.3-119.5-47.3000116.6
76I36.1Very low34.1Very low154 Ų154131.6 Ų131.679%0.7976%0.76SS**THydrogen-bonded Turntrans-105.9-16.5-172.8-67.7177.7000113.2A74A74-I76 PolarHBondContact O-N 3.38Å
77C29.7Very low34Very low114 Ų114130.3 Ų130.377%0.7776%0.762SS**SBendtrans-94.5-10.7178.3-68.20000114.7
78T38.8Very low34Very low92 Ų92133.4 Ų133.456%0.56477%0.771SS**SBendtrans-108.67.4-168.3-26.50000113.6
79K35Very low33.7Very low172 Ų172134.8 Ų134.875%0.74877%0.772SS**SBendtrans-119.615.9-168.8-142.1172.8-176174.50115.5
80V34.8Very low34Very low128 Ų128136.6 Ų136.678%0.77677%0.774SS**SBendtrans-121.90.6177.4-172.30000112
81I37.1Very low33.7Very low133 Ų133136.1 Ų136.168%0.68277%0.772SS**SBendtrans-107.5-16-174.5-62.7176.5000112.4
82N33.7Very low33.6Very low133 Ų133135.4 Ų135.471%0.71178%0.775SS**THydrogen-bonded Turntrans-98.313.4-169.5-70-12.2000115.9
83E35.1Very low33.5Very low188 Ų188135.2 Ų135.288%0.87977%0.771SS**THydrogen-bonded Turntrans-114.413.1178.3-65.6-159.3143.600114.5
84V33.4Very low33.6Very low134 Ų134134.7 Ų134.781%0.81276%0.763SS**SBendtrans-118.617.5-178.9-156.90000112.9
85E33.8Very low33.5Very low198 Ų198136.3 Ų136.393%0.92577%0.77SS**SBendtrans-119.624.1177.6-149.8168.913600113.2
86A33.2Very low34Very low98 Ų98137.2 Ų137.281%0.8177%0.77SS**SBendtrans-118.87.4-176.900000115
87A32.7Very low34Very low92 Ų92137.1 Ų137.176%0.7677%0.766SS**  trans-157.492.2176.200000113.4
88N33.4Very low34.4Very low162 Ų162137 Ų13787%0.86676%0.761SS**  trans-15899.6144.2-117.4-17.3000112.5
89I31.1Very low34.1Very low154 Ų154136.5 Ų136.579%0.7977%0.767SS**  trans-93.8130.2160.9-71.2166.8000105.8
90L33.4Very low34.2Very low150 Ų150132 Ų13279%0.78576%0.757SS**SBendtrans108133.6174.4-62.1146.6000118
91D30.5Very low34.3Very low140 Ų140131.7 Ų131.775%0.74975%0.75SS**  trans54.2129161.2-78.3-45.1000124.5
92P33.5Very low34.1Very low123 Ų123132.6 Ų132.680%0.79975%0.751SS**  trans-95.7103176.836.4-31.7000113.4
93T31.2Very low34Very low122 Ų122129.6 Ų129.675%0.74875%0.745SS**  trans-133.9152.2166.259.40000112.1
94N33Very low33.9Very low131 Ų131123.6 Ų123.670%0.70173%0.728SS**  trans82.545.3179.9-57.8-76.7000118.8H96N94-H96 PolarHBondContact O-N 2.79Å
95S32.9Very low33.8Very low118 Ų118122.2 Ų122.283%0.82572%0.719SS**THydrogen-bonded Turntrans-71.533.8167.868.20000114.9
96H42.2Very low33.7Very low146 Ų146116.2 Ų116.268%0.67670%0.704SS**THydrogen-bonded Turntrans-125.4-7.5-163.3-120.2-67.4000116.9N94N94-H96 PolarHBondContact O-N 2.79Å
97Q36.1Very low33.6Very low152 Ų152114.8 Ų114.871%0.7169%0.692SS**SBendtrans-108.1-14.9-179.9-61.7-163.210.300114.9S100Q97-S100 PolarHBondContact O-OG 3.25Å
98V36.7Very low33.5Very low110 Ų110113.6 Ų113.667%0.66768%0.682SS**THydrogen-bonded Turntrans-70.9-39.9-177.5-171.50000111.9S100 L101V98-S100 PolarHBondContact O-N 3.21Å; V98-S100 VanDerWaalsContact O-N 3.12Å; V98-L101 WeakPolarHBondContact O-CB 3.45Å; V98-L101 PolarHBondContact O-N 2.82Å
99A34.1Very low33.5Very low83 Ų83109.3 Ų109.369%0.68667%0.669SS**Hα-helixtrans-63.1-20.2-17900000114.2
100S37.2Very low33.6Very low76 Ų76105.6 Ų105.653%0.53166%0.662SS.*Hα-helixtrans-81.3-13.9174.224.30000114.1Q97 V98Q97-S100 PolarHBondContact O-OG 3.25Å; V98-S100 PolarHBondContact O-N 3.21Å; V98-S100 VanDerWaalsContact O-N 3.12Å
101L36Very low33.7Very low123 Ų123101.9 Ų101.964%0.64465%0.653SS**Hα-helixtrans-86.6-45.6-177.9-123.270.1000112.5V98 A103 A104 V105V98-L101 WeakPolarHBondContact O-CB 3.45Å; V98-L101 PolarHBondContact O-N 2.82Å; L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 2.97Å; L101-A104 WeakPolarHBondContact O-CB 3.35Å; L101-A104 PolarHBondContact O-N 3.03Å; L101-V105 PolarHBondContact O-N 3.04Å; L101-V105 VanDerWaalsContact O-N 3.11Å
102E33.3Very low33.7Very low151 Ų151102.2 Ų102.271%0.70665%0.654SS**Hα-helixtrans-58.2-40.2175.8-71.5-168.5110.400112.1A104 V105 A106E102-A104 PolarHBondContact O-N 2.88Å; E102-V105 PolarHBondContact O-N 3.13Å; E102-A106 WeakPolarHBondContact O-CB 3.45Å; E102-A106 PolarHBondContact O-N 3.48Å
103A32Very low33.5Very low70 Ų70102.6 Ų102.658%0.57965%0.653SS**Hα-helixtrans-61.7-27.2176.900000113.4L101L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 2.97Å
104A32Very low33.5Very low63 Ų63103 Ų10352%0.52166%0.656SS.*Hα-helixtrans-82.6-37.1175.300000112.3L101 E102 A107 A108L101-A104 WeakPolarHBondContact O-CB 3.35Å; L101-A104 PolarHBondContact O-N 3.03Å; E102-A104 PolarHBondContact O-N 2.88Å; A104-A107 PolarHBondContact O-N 2.75Å; A104-A108 PolarHBondContact O-N 3.05Å
105V31.5Very low33.3Very low104 Ų104101.7 Ų101.763%0.6366%0.657SS**Hα-helixtrans-67.3-43177.2175.90000111.2L101 E102 A107 A108 A109L101-V105 PolarHBondContact O-N 3.04Å; L101-V105 VanDerWaalsContact O-N 3.11Å; E102-V105 PolarHBondContact O-N 3.13Å; V105-A107 VanDerWaalsContact C-N 3.25Å; V105-A107 PolarHBondContact O-N 2.89Å; V105-A108 PolarHBondContact O-N 2.8Å; V105-A108 VanDerWaalsContact O-N 3.11Å; V105-A109 PolarHBondContact O-N 3.08Å
106A31.9Very low33.2Very low73 Ų73101.7 Ų101.760%0.60366%0.657SS**Hα-helixtrans-60.6-33.1176.400000113E102E102-A106 WeakPolarHBondContact O-CB 3.45Å; E102-A106 PolarHBondContact O-N 3.48Å
107A31.1Very low32.6Very low68 Ų68104.8 Ų104.856%0.56267%0.668SS**Hα-helixtrans-72.5-28.9176.600000113.2A104 V105A104-A107 PolarHBondContact O-N 2.75Å; V105-A107 VanDerWaalsContact C-N 3.25Å; V105-A107 PolarHBondContact O-N 2.89Å
108A30.9Very low32.4Very low67 Ų67104.3 Ų104.355%0.55467%0.671SS**Hα-helixtrans-72.4-38.5-178.900000112.8A104 V105 A110 A111A104-A108 PolarHBondContact O-N 3.05Å; V105-A108 PolarHBondContact O-N 2.8Å; V105-A108 VanDerWaalsContact O-N 3.11Å; A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.85Å; A108-A111 PolarHBondContact O-N 3.03Å
109A32.2Very low32Very low71 Ų71105 Ų10559%0.58768%0.68SS**Hα-helixtrans-62.1-37.3-178.800000113V105 A111V105-A109 PolarHBondContact O-N 3.08Å; A109-A111 VanDerWaalsContact C-N 3.29Å; A109-A111 PolarHBondContact O-N 3.03Å
110A33.8Very low31.9Very low77 Ų77106 Ų10664%0.63668%0.678SS**Hα-helixtrans-70-21.7-178.700000114.1A108A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.85Å
111A34.8Very low31.4Very low72 Ų72110.1 Ų110.160%0.59569%0.692SS**Hα-helixtrans-79.9-22.4-177.500000113.7A108 A109 V113A108-A111 PolarHBondContact O-N 3.03Å; A109-A111 VanDerWaalsContact C-N 3.29Å; A109-A111 PolarHBondContact O-N 3.03Å; A111-V113 PolarHBondContact O-N 3.32Å
112L30.1Very low31.1Very low146 Ų146111.4 Ų111.476%0.76470%0.698SS**G310 helixtrans-76.3-20.3-168.3-156.268.1000114V114L112-V114 VanDerWaalsContact C-N 3.3Å; L112-V114 PolarHBondContact O-N 3.07Å
113V30.7Very low30.8Very low131 Ų131108.9 Ų108.979%0.79470%0.697SS**G310 helixtrans-78.4-10.9-175.6178.40000112.9A111A111-V113 PolarHBondContact O-N 3.32Å
114V31.1Very low30.9Very low132 Ų132111.7 Ų111.780%0.871%0.71SS**G310 helixtrans-111.233.2-174.4-159.90000112.6L112L112-V114 VanDerWaalsContact C-N 3.3Å; L112-V114 PolarHBondContact O-N 3.07Å
115S29.5Very low30.8Very low103 Ų103115.3 Ų115.372%0.7273%0.725SS**  trans-153.871.7170.1-162.50000113.9
116S30.6Very low30.6Very low118 Ų118115.8 Ų115.883%0.82573%0.733SS**  trans-158.155.8171.1-82.50000113.2
117K30Very low30.8Very low211 Ų211118 Ų11892%0.91774%0.739SS**  trans-143.966170.4-72.7-168.5179.2176.80112.7
118N30.9Very low30.5Very low142 Ų142123.7 Ų123.776%0.75975%0.747SS**  trans-151.7117.2155.2-165.461.3000110.7T120N118-T120 PolarHBondContact ND2-OG1 3.45Å
119S28.7Very low30.5Very low124 Ų124125.8 Ų125.887%0.86775%0.753SS**  trans-103.6111.1179.2-58.80000109.9
120T31.7Very low30.5Very low105 Ų105128.5 Ų128.564%0.64476%0.758SS**  trans-127.2115.3171.3-53.30000109.2N118 I122N118-T120 PolarHBondContact ND2-OG1 3.45Å; T120-I122 HydrophobicContact CG2-CD1 4.39Å; T120-I122 HydrophobicContact CG2-CG1 4.26Å
121I26.8Very low31Very low161 Ų161130.1 Ų130.183%0.82676%0.762SS**  trans-89.7117.5178.2-60.7167.2000108.3
122I30.3Very low31.2Very low150 Ų150133.4 Ų133.477%0.76977%0.774SS**  trans-139.4117.2164.8-56.6-179.5000108.5T120T120-I122 HydrophobicContact CG2-CD1 4.39Å; T120-I122 HydrophobicContact CG2-CG1 4.26Å
123S26.1Very low31.1Very low99 Ų99132.3 Ų132.369%0.69277%0.769SS**PPolyproline II helixtrans-94138.4174.9-50.40000110.7
124P34.4Very low31.4Very low129 Ų129134.2 Ų134.284%0.83877%0.769SS**PPolyproline II helixtrans-78.6150163.132.5-31.9000111
125V29.9Very low31.3Very low138 Ų138133.6 Ų133.684%0.83677%0.766SS**PPolyproline II helixtrans-98.1163.4-177.776.20000111.8
126S28Very low31.7Very low115 Ų115133.2 Ų133.280%0.80477%0.769SS**PPolyproline II helixtrans-101131.2-179.8-172.70000112.7
127T34.4Very low31.8Very low120 Ų120135.4 Ų135.474%0.73677%0.766SS**  trans-158.8107.8172.3-53.80000105.3
128Y25.9Very low32Very low186 Ų186131.7 Ų131.773%0.72976%0.755SS**  76.5152.774.1-164.6-98.7000113.9
129V31.6Very low32.2Very low111 Ų111129.4 Ų129.467%0.67375%0.75SS**  trans69.4140.4-167.9-510000117.1
130D31.6Very low32.5Very low128 Ų128129.4 Ų129.468%0.68474%0.741SS**  cis-157.8169.9-19.8-104.8-21.6000111.1
131P43.2Very low32.8Very low111 Ų111132 Ų13272%0.72175%0.749SS**  trans-110.8172.1-158.541.5-37.2000117.1
132V38.9Very low33Very low142 Ų142128.5 Ų128.586%0.86174%0.74SS**  trans-138135.2162.2-174.10000112.4
133N29.2Very low33.2Very low123 Ų123127.4 Ų127.466%0.65874%0.74SS**  trans-44.3153.3172.9-78.7-32.2000115.5
134H37.7Very low33.7Very low170 Ų170130.2 Ų130.279%0.78774%0.74SS**  -161.5115.966.1-96.7-76.9000116.9
135T29Very low33.8Very low119 Ų119130.1 Ų130.173%0.7373%0.732SS**  trans22.8144.7133.7-28.10000123.9
136A36.7Very low34.2Very low95 Ų95127.4 Ų127.479%0.78572%0.724SS**  trans90142158.400000116.9
137H33.3Very low34.5Very low164 Ų164127.4 Ų127.476%0.75972%0.724SS**  cis-145155.66.8-174.4-89.4000112.9
138L33.6Very low34.7Very low134 Ų134127.1 Ų127.170%0.70273%0.727SS**  trans-44.3163.3168.3-60.5128.1000115
139S36Very low35Very low93 Ų93125.6 Ų125.665%0.6573%0.732SS**  cis-170.9-157.6-17.154.70000107
140D35.2Very low35Very low125 Ų125126.3 Ų126.367%0.66874%0.736SS**  cis-165.11757-135.6-52.8000112.5
141L37Very low34.9Very low158 Ų158127.4 Ų127.483%0.82774%0.737SS**  trans59.3164.3161.1-103.563.2000120.8
142S32Very low34.5Very low89 Ų89127.6 Ų127.662%0.62274%0.736SS**  -178.9134.3-74.2176.20000111.5
143T32.8Very low34.2Very low127 Ų127127.9 Ų127.978%0.77973%0.727SS**  trans63.9166161.758.20000117.8
144K38.4Very low34.5Very low158 Ų158127.1 Ų127.169%0.68772%0.724SS**  cis-165.1166.915.8-141.9163.1154.6-92.50113.1
145D35.9Very low34.3Very low127 Ų127126 Ų12668%0.67972%0.717SS**  trans63.1156.3153-61-36.9000120.8
146A38.3Very low34.6Very low81 Ų81125.8 Ų125.867%0.66972%0.715SS**  cis-167143.7-26.900000114.8
147S33.4Very low34.3Very low115 Ų115129.8 Ų129.880%0.80472%0.717SS**  trans56.6153.4139-60.10000127.2
148S39Very low34.4Very low114 Ų114129.1 Ų129.180%0.79772%0.716SS**  trans88.8150.9163.184.20000118.1
149N32.3Very low34.3Very low153 Ų153127 Ų12782%0.81871%0.713SS**  cis-148.8-173.10.8-146.1-20.4000113.5
150V31.5Very low34.1Very low126 Ų126132.7 Ų132.776%0.76472%0.722SS**  trans-139.1135.9-150.7168.70000117.7
151H29.5Very low33.7Very low151 Ų151131.6 Ų131.670%0.69972%0.724SS**  trans75.8168.7147.7-169.255.8000123.5
152V34.9Very low33.4Very low116 Ų116132.6 Ų132.670%0.70372%0.722SS**  trans74.5124.8175.3-165.80000116.6
153Q31.8Very low33.4Very low147 Ų147134.1 Ų134.169%0.68773%0.727SS**  cis98.7111.411.1-169.7179.3-11.200117.4
154D35.1Very low33.5Very low108 Ų108132.9 Ų132.958%0.57872%0.724SS**  179.4152.7110.4-149.312.4000117
155K33.7Very low33.3Very low147 Ų147130.3 Ų130.364%0.63973%0.726SS**  trans32.6152.5150.7-93.3177.7-139.169.10129.6
156T36.4Very low33.3Very low114 Ų114129.3 Ų129.370%0.69973%0.729SS**  trans66.3147.7147.147.10000120
157E29.8Very low33.2Very low178 Ų178130.4 Ų130.483%0.83273%0.732SS**  cis158.3124.6-24.8-108.3-164.2124.300105.9
158M36.4Very low33.3Very low150 Ų150130 Ų13074%0.73973%0.728SS**  trans-160.1143.4153.3-158.878.4-87.300109.8Y160M158-Y160 HydrophobicContact CG-CE2 4.09Å
159S30.7Very low33.2Very low90 Ų90131.6 Ų131.663%0.62973%0.727SS**  trans-122.2158.5-179.1410000110.5
160Y32.8Very low33.4Very low212 Ų212129.8 Ų129.883%0.83172%0.721SS**  trans-157.6166.7154-65.7-54.3000110.2M158M158-Y160 HydrophobicContact CG-CE2 4.09Å
161S25.2Very low33.7Very low102 Ų102131.3 Ų131.371%0.71372%0.72SS**  trans-148.3-145.6-162.964.30000115.4
162F31.6Very low33.9Very low180 Ų180129.2 Ų129.279%0.78971%0.714SS**  trans85.1113-176-58.5-76.3000116
163T31Very low34.1Very low120 Ų120131.4 Ų131.474%0.73672%0.716SS**  82.714457.6620000114.1
164S34.6Very low34.2Very low101 Ų101133.4 Ų133.471%0.70672%0.723SS**  cis-150.1172.27.8-90.90000108.8
165S35Very low34Very low104 Ų104134.9 Ų134.973%0.72774%0.735SS**  cis-167.9137.749.7-48.90000110.9
166S37Very low34.3Very low107 Ų107133.3 Ų133.375%0.74874%0.74SS**  64.313099.5-42.40000115.9
167S35.4Very low34Very low104 Ų104134.7 Ų134.773%0.72774%0.742SS**  cis-159.2144.839.7-47.90000115.4
168S35.8Very low34Very low105 Ų105134.8 Ų134.873%0.73474%0.741SS**  trans49.6142.2139.562.10000122.2
169I36.6Very low33.8Very low149 Ų149132.9 Ų132.976%0.76474%0.742SS**  cis-158123.613.5-127.4155000108.5
170T36.8Very low33.8Very low114 Ų114136.2 Ų136.270%0.69975%0.752SS**  72.1125107.4-53.10000114.9
171Q37.5Very low33.7Very low158 Ų158132.4 Ų132.474%0.73876%0.755SS**  cis-161.1157.714.3-139177.518.600113.6
172N32.9Very low34Very low108 Ų108130.4 Ų130.458%0.57875%0.75SS**  trans55.9140.3151.4-67.9-16.5000121.6
173H39.6Very low34.2Very low161 Ų161129.2 Ų129.275%0.74575%0.752SS**  cis-152.4136.1-0.3-104-41.8000112.9
174K33.2Very low34.3Very low189 Ų189131.3 Ų131.382%0.82276%0.758SS**  trans60.994.4140.6-162.4172.6-175-71.40120.7
175V31.2Very low34.1Very low139 Ų139134 Ų13484%0.84277%0.765SS**  trans-131.5145.7144.4-70.30000110.1
176P41.3Very low33.9Very low114 Ų114136.5 Ų136.574%0.7477%0.769SS**  trans-88.7152.116235-30.1000111.2
177L29Very low33.8Very low143 Ų143137 Ų13775%0.74977%0.769SS**  trans-113.5-171.6-177179.759.9000109.6
178F30.2Very low33.6Very low181 Ų181139.4 Ų139.479%0.79477%0.773SS**  trans70.2143.8153.950.5-111.2000119.5
179S31.5Very low33.3Very low110 Ų110141.8 Ų141.877%0.76978%0.776SS**  cis-154.6178.6-8.9-155.30000112.2
180L30.8Very low33.2Very low160 Ų160139.7 Ų139.784%0.83877%0.771SS**  trans-68.9153.9176.5-57.469.1000113.6
181C31.2Very low32.9Very low132 Ų132139.8 Ų139.889%0.89278%0.776SS**  173.8148.2112.1-159.30000112.6
182G32.2Very low32.9Very low60 Ų60138.1 Ų138.162%0.61978%0.776SS**  trans71.8153167.200000116.7
183D36Very low32.9Very low154 Ų154138.8 Ų138.882%0.82479%0.785SS**  cis-155.5173.1-11.8-114.3-58.1000110.3
184L31.6Very low32.7Very low164 Ų164137.9 Ų137.986%0.85978%0.784SS**  trans-72.5131.1-174-64.284.2000113.7
185N32.1Very low32.7Very low159 Ų159134.7 Ų134.785%0.8578%0.781SS**  -158.7160.4129.5-138.5-28.9000113.4
186L30Very low33Very low156 Ų156133.1 Ų133.182%0.81778%0.776SS**  trans-99.7175.5175.1-113.375000111.3
187P35.3Very low32.5Very low116 Ų116133.4 Ų133.475%0.75378%0.78SS**  trans-87.8156.4-141.235.1-39.5000115.2
188L29.8Very low33.1Very low155 Ų155131.1 Ų131.181%0.81278%0.782SS**  trans-136.1130.9155-174.358.7000111
189I31Very low33.1Very low155 Ų155128.6 Ų128.680%0.79579%0.787SS**  trans-87.1114.2174-55.5165.2000107.5
190T33.7Very low33.5Very low106 Ų106128.7 Ų128.765%0.6579%0.785SS**  trans-145.3115.4167.4-600000109.9
191S30.2Very low33.7Very low115 Ų115126.3 Ų126.380%0.80478%0.782SS**  trans-91.7121.3178.3-57.10000110.5
192T37.3Very low33.7Very low123 Ų123126.8 Ų126.876%0.75578%0.78SS**  trans-146.2116.7161.9-10.20000113
193T34.5Very low33.7Very low122 Ų122129.3 Ų129.375%0.74878%0.784SS**  trans-33152.9148.51.50000112.7
194I34.7Very low33.4Very low142 Ų142126.7 Ų126.773%0.72878%0.778SS**  cis-156.6168.433.5-5.3178.9000113.6
195T33.4Very low33.6Very low123 Ų123123.1 Ų123.176%0.75577%0.766SS**  trans75.9141.2148.641.10000123.8
196S36.4Very low33.8Very low106 Ų106122.2 Ų122.274%0.74176%0.76SS**  trans90.187.1153.768.10000121.1
197S31.9Very low34.4Very low119 Ų119122.8 Ų122.883%0.83276%0.761SS**  51.385.8127.160.80000120.7
198A41.3Very low34.6Very low95 Ų95124 Ų12479%0.78576%0.761SS**  trans-150.9124.6141.600000110.1
199S31.1Very low35.5Very low128 Ų128122.1 Ų122.190%0.89576%0.76SS**PPolyproline II helixtrans-103.3121.6177.4-60.90000111.6
200P39.3Very low36.1Very low113 Ų113117.2 Ų117.273%0.73475%0.748SS**PPolyproline II helixtrans-103.3129.914733.1-26.9000109.8V202P200-V202 PolarHBondContact O-N 2.8Å
201S33.9Very low36.8Very low110 Ų110117.7 Ų117.777%0.76975%0.751SS**PPolyproline II helixtrans-68.3116.2-179.9-57.70000111.7T203S201-T203 PolarHBondContact O-N 2.7Å
202V32.6Very low37.4Very low141 Ų141115.7 Ų115.786%0.85574%0.741SS**  trans-74.374.5167.2-74.50000110.5P200 S204P200-V202 PolarHBondContact O-N 2.8Å; V202-S204 PolarHBondContact O-N 3.23Å
203T30.8Very low37.8Very low114 Ų114113.2 Ų113.270%0.69973%0.733SS**  trans-66.596.6173.6-59.70000109.9S201 S205S201-T203 PolarHBondContact O-N 2.7Å; T203-S205 PolarHBondContact O-N 3.22Å
204S30.8Very low38.4Very low99 Ų99110.4 Ų110.469%0.69272%0.722SS**  trans-73.372.3177.741.90000111.6V202 I206V202-S204 PolarHBondContact O-N 3.23Å; S204-I206 PolarHBondContact O-N 3.08Å
205S35.1Very low39.2Very low89 Ų89110.1 Ų110.162%0.62272%0.721SS**  trans-73.266.2175.961.30000112.3T203 M207T203-S205 PolarHBondContact O-N 3.22Å; S205-M207 VanDerWaalsContact C-N 3.34Å; S205-M207 PolarHBondContact O-N 2.63Å
206I36.1Very low40.1Very low140 Ų140107 Ų10772%0.71871%0.708SS**  trans-72.388.2171.4-56.5175.2000108.1S204S204-I206 PolarHBondContact O-N 3.08Å
207M42.6Very low40.9Very low168 Ų168105 Ų10583%0.82870%0.698SS**  trans-98.5105.2172.7-73.6-164.3-77.200110.7S205S205-M207 VanDerWaalsContact C-N 3.34Å; S205-M207 PolarHBondContact O-N 2.63Å
208N39.5Very low41.9Very low142 Ų142102.9 Ų102.976%0.75968%0.678SS**  trans-63.5136.2178.2-66.6-24000112.1
209S48.7Very low42.7Very low115 Ų115103.8 Ų103.880%0.80467%0.669SS**SBendtrans171.2-31.7145.640.40000113.5
210G44.3Very low43.9Very low51 Ų51103.7 Ų103.753%0.52666%0.662SS.*SBendtrans-82.9-19.7-170.300000117.3A212 A213 A214G210-A212 PolarHBondContact O-N 2.89Å; G210-A213 PolarHBondContact O-N 2.84Å; G210-A214 PolarHBondContact O-N 3.1Å
211T48.5Very low45Very low116 Ų11699.5 Ų99.571%0.71263%0.634SS**Hα-helixtrans-67.3-32.5-16644.30000114.8A213 A214 L215T211-A213 PolarHBondContact O-N 3.07Å; T211-A214 PolarHBondContact O-N 2.97Å; T211-L215 PolarHBondContact O-N 3.48Å
212A43Very low46.7Very low74 Ų7498.2 Ų98.261%0.61262%0.621SS**Hα-helixtrans-65.3-37.2179.800000112.7G210 A216G210-A212 PolarHBondContact O-N 2.89Å; A212-A216 WeakPolarHBondContact O-CB 3.26Å; A212-A216 PolarHBondContact O-N 3.29Å
213A45.2Very low49.1Very low71 Ų7193.3 Ų93.359%0.58760%0.599SS**Hα-helixtrans-70.6-38.8177.200000111.9G210 T211 A216 A217G210-A213 PolarHBondContact O-N 2.84Å; T211-A213 PolarHBondContact O-N 3.07Å; A213-A216 PolarHBondContact O-N 2.94Å; A213-A217 WeakPolarHBondContact O-CB 3.28Å; A213-A217 PolarHBondContact O-N 2.87Å
214A48.2Very low52Low62 Ų6292.1 Ų92.151%0.51259%0.593SS.*Hα-helixtrans-64.9-42.6175.100000112.1G210 T211 A217 N218G210-A214 PolarHBondContact O-N 3.1Å; T211-A214 PolarHBondContact O-N 2.97Å; A214-A217 PolarHBondContact O-N 3.47Å; A214-N218 PolarHBondContact O-N 3.42Å
215L50.1Low55.1Low136 Ų13689.3 Ų89.371%0.71257%0.568SS**Hα-helixtrans-64.8-41.9177.1-16080.6000111.7T211 N218 L219T211-L215 PolarHBondContact O-N 3.48Å; L215-N218 PolarHBondContact O-N 2.93Å; L215-L219 PolarHBondContact O-N 2.96Å
216A53.5Low57.9Low58 Ų5886.4 Ų86.448%0.47954%0.544SS..Hα-helixtrans-63.4-42.3174.600000112A212 A213 N218 L219 V220A212-A216 WeakPolarHBondContact O-CB 3.26Å; A212-A216 PolarHBondContact O-N 3.29Å; A213-A216 PolarHBondContact O-N 2.94Å; A216-N218 VanDerWaalsContact C-N 3.33Å; A216-N218 PolarHBondContact O-N 3.17Å; A216-L219 PolarHBondContact O-N 2.8Å; A216-V220 WeakPolarHBondContact O-CG2 3.37Å; A216-V220 PolarHBondContact O-N 3.37Å
217A52.3Low60.8Low64 Ų6479.8 Ų79.853%0.52951%0.51SS..Hα-helixtrans-61-40.2175.800000112.2A213 A214 V220A213-A217 WeakPolarHBondContact O-CB 3.28Å; A213-A217 PolarHBondContact O-N 2.87Å; A214-A217 PolarHBondContact O-N 3.47Å; A217-V220 PolarHBondContact O-N 2.74Å
218N53.6Low63.5Low75 Ų7573.9 Ų73.940%0.40148%0.48SS..Hα-helixtrans-70.5-33.5176.8-156.556.6000112.5A214 L215 A216 V220 N221 E275A214-N218 PolarHBondContact O-N 3.42Å; L215-N218 PolarHBondContact O-N 2.93Å; A216-N218 VanDerWaalsContact C-N 3.33Å; A216-N218 PolarHBondContact O-N 3.17Å; N218-V220 VanDerWaalsContact C-N 3.3Å; N218-V220 PolarHBondContact O-N 2.96Å; N218-N221 WeakPolarHBondContact O-CA 2.97Å; N218-N221 WeakPolarHBondContact O-CB 3.41Å; N218-N221 PolarHBondContact O-N 2.83Å; N218-E275 PolarHBondContact ND2-OE1 3.06Å; N218-E275 PolarHBondContact OD1-OE1 3.42Å
219L57Low66.2Low114 Ų11467.1 Ų67.160%0.59744%0.444SS*.Hα-helixtrans-66-29.9176.4-166.565.3000112.9L215 A216 N221 V222L215-L219 PolarHBondContact O-N 2.96Å; A216-L219 PolarHBondContact O-N 2.8Å; L219-N221 PolarHBondContact O-N 2.83Å; L219-V222 HydrophobicContact CD1-CG2 4.23Å; L219-V222 PolarHBondContact O-N 3.49Å
220V57.3Low68.5Low126 Ų12662.8 Ų62.876%0.76441%0.414SS*.G310 helixtrans-68.8-15.9170.5-142.90000112.4A216 A217 N218A216-V220 WeakPolarHBondContact O-CG2 3.37Å; A216-V220 PolarHBondContact O-N 3.37Å; A217-V220 PolarHBondContact O-N 2.74Å; N218-V220 VanDerWaalsContact C-N 3.3Å; N218-V220 PolarHBondContact O-N 2.96Å
221N61.3Low71Confident24 Ų2464.1 Ų64.113%0.12841%0.409CS..G310 helixtrans-88.1-1.3-178.9-144.731.5000113.4N218 L219 G223 K225 G274 E275 D278N218-N221 WeakPolarHBondContact O-CA 2.97Å; N218-N221 WeakPolarHBondContact O-CB 3.41Å; N218-N221 PolarHBondContact O-N 2.83Å; L219-N221 PolarHBondContact O-N 2.83Å; N221-G223 VanDerWaalsContact C-N 3.31Å; N221-K225 PolarHBondContact OD1-NZ 3.45Å; N221-G274 PolarHBondContact ND2-O 2.89Å; N221-G274 WeakPolarHBondContact O-CA 3.25Å; N221-G274 PolarHBondContact O-N 3.09Å; N221-G274 PolarHBondContact OD1-O 2.94Å; N221-E275 PolarHBondContact ND2-N 3.2Å; N221-D278 PolarHBondContact ND2-OD2 2.97Å; N221-D278 PolarHBondContact OD1-OD2 3.49Å
222V71Confident73.3Confident84 Ų8458.7 Ų58.751%0.50938%0.375SS..G310 helixtrans-79.2-14.7-179.5-178.80000112.4L219L219-V222 HydrophobicContact CD1-CG2 4.23Å; L219-V222 PolarHBondContact O-N 3.49Å
223G83Confident75.8Confident38 Ų3855.3 Ų55.339%0.39235%0.347SS..SBendtrans-80.5158.1177.900000114.4N221 K225 G274N221-G223 VanDerWaalsContact C-N 3.31Å; G223-K225 PolarHBondContact O-N 3.46Å; G223-G274 PolarHBondContact O-N 2.82Å
224P91.4Very high78.2Confident89 Ų8956.9 Ų56.958%0.57834%0.341SS*.  trans-55.6124.7176-28.836.3000113.3L252 T270 F271 A272P224-L252 HydrophobicContact CB-CD1 3.9Å; P224-L252 HydrophobicContact CG-CD1 4.1Å; P224-T270 HydrophobicContact CB-CG2 4.37Å; P224-F271 WeakPolarHBondContact CA-O 3.4Å; P224-A272 WeakPolarHBondContact CA-O 3.38Å
225K94.6Very high80.5Confident39 Ų3963.1 Ų63.117%0.1735%0.351CS..EExtended strand (participates in β ladder)trans-118130.1-170.5-168.2165.3170.8-175.30111.2N221 G223 T270 F271 G274 A277 D278N221-K225 PolarHBondContact OD1-NZ 3.45Å; G223-K225 PolarHBondContact O-N 3.46Å; K225-T270 WeakPolarHBondContact O-CA 3.43Å; K225-F271 PolarHBondContact N-O 3.29Å; K225-F271 PolarHBondContact O-N 3.08Å; K225-G274 PolarHBondContact NZ-O 3.36Å; K225-A277 HydrophobicContact CB-CB 3.86Å; K225-A277 HydrophobicContact CD-CB 3.95Å; K225-A277 HydrophobicContact CG-CB 3.96Å; K225-D278 IonicContact NZ-OD1 2.64Å; K225-D278 PolarHBondContact NZ-OD1 2.88Å; K225-D278 IonicContact NZ-OD2 3.06Å; K225-D278 PolarHBondContact NZ-OD2 3.39Å
226R95.6Very high82.6Confident29 Ų2957.6 Ų57.611%0.10932%0.322CS..EExtended strand (participates in β ladder)trans-100.6128.6-177.8-163.2165.3174.2-110.94.7109.8E255 F268 V269 T270 A299 T300R226-E255 IonicContact CZ-OE2 3.14Å; R226-E255 IonicContact NH2-OE1 3.84Å; R226-E255 IonicContact NH2-OE2 2.68Å; R226-E255 PolarHBondContact NH2-OE2 3.49Å; R226-F268 HydrophobicContact CG-CB 4.25Å; R226-F268 VanDerWaalsContact NH2-CD2 3.25Å; R226-F268 VanDerWaalsContact NH2-CG 3.29Å; R226-V269 CarbonylContact C-O 3.57Å; R226-V269 WeakPolarHBondContact CA-O 3.49Å; R226-T270 HydrophobicContact CB-CG2 4.45Å; R226-A299 HydrophobicContact CB-CB 4.24Å; R226-A299 HydrophobicContact CG-CB 4.07Å; R226-A299 WeakPolarHBondContact O-CA 3.47Å; R226-A299 WeakPolarHBondContact O-CB 3.19Å; R226-A299 PolarHBondContact O-N 3.43Å; R226-T300 PolarHBondContact NH1-O 2.91Å
227L96.9Very high84.7Confident0 Ų060.2 Ų60.20%032%0.319CS..EExtended strand (participates in β ladder)trans-104.8154.3172.3-57.9-178.7000110F268 V269 F271 A277 A280 R281 I296 N297L227-F268 VanDerWaalsContact O-CA 3.24Å; L227-F268 WeakPolarHBondContact O-CA 3.09Å; L227-V269 PolarHBondContact N-O 3.44Å; L227-V269 PolarHBondContact O-N 2.87Å; L227-F271 HydrophobicContact CD1-CD2 4.18Å; L227-F271 HydrophobicContact CD1-CE2 3.8Å; L227-A277 HydrophobicContact CD1-CB 4.12Å; L227-A277 WeakPolarHBondContact CD1-O 3.31Å; L227-A277 HydrophobicContact CD2-CB 4.13Å; L227-A277 HydrophobicContact CG-CB 4.1Å; L227-A280 HydrophobicContact CD1-CB 4.28Å; L227-R281 HydrophobicContact CD1-CB 4.46Å; L227-I296 HydrophobicContact CB-CG2 3.99Å; L227-I296 HydrophobicContact CD1-CG2 3.77Å; L227-I296 HydrophobicContact CG-CG2 4.32Å; L227-N297 CarbonylContact C-O 3.5Å; L227-N297 WeakPolarHBondContact CA-O 3.27Å
228H97.5Very high86.8Confident45 Ų4561.9 Ų61.921%0.20832%0.316CS..EExtended strand (participates in β ladder)trans-109.5121.3170.2174.4-133.4000107.9S230 F266 G267 F268 I296 N297 A299H228-S230 PolarHBondContact CE1-OG 3.15Å; H228-S230 PolarHBondContact NE2-OG 2.84Å; H228-F266 AromaticContact CD2-CD2 3.94Å; H228-F266 AromaticContact NE2-CD2 3.35Å; H228-F266 VanDerWaalsContact NE2-CD2 3.35Å; H228-F266 WeakPolarHBondContact NE2-CD2 3.44Å; H228-F266 AromaticContact NE2-CG 3.72Å; H228-G267 PolarHBondContact CD2-O 2.95Å; H228-F268 HydrophobicContact CB-CD1 3.99Å; H228-F268 HydrophobicContact CB-CE1 3.92Å; H228-F268 AromaticContact CD2-CD1 3.98Å; H228-F268 AromaticContact CD2-CE1 3.53Å; H228-F268 AromaticContact CD2-CZ 3.99Å; H228-F268 AromaticContact CG-CE1 3.93Å; H228-I296 WeakPolarHBondContact O-CA 3.49Å; H228-N297 PolarHBondContact N-O 2.96Å; H228-N297 PolarHBondContact O-N 2.79Å; H228-A299 HydrophobicContact CB-CB 3.99Å
229V97.4Very high88.8Confident0 Ų061.7 Ų61.70%033%0.325CS..EExtended strand (participates in β ladder)trans-111.5116.4-176.7-172.30000108.2I232 L241 L245 F266 G267 V269 E295 I296V229-I232 HydrophobicContact CG1-CG2 3.7Å; V229-L241 HydrophobicContact CG1-CD2 4.11Å; V229-L245 HydrophobicContact CG2-CD1 4Å; V229-F266 CarbonylContact O-C 3.59Å; V229-F266 WeakPolarHBondContact O-CA 3.35Å; V229-F266 VanDerWaalsContact O-CB 3.28Å; V229-F266 WeakPolarHBondContact O-CB 3.49Å; V229-G267 PolarHBondContact N-O 3.22Å; V229-G267 PolarHBondContact O-N 3.4Å; V229-V269 HydrophobicContact CG2-CG2 4.15Å; V229-E295 WeakPolarHBondContact CA-O 3.34Å; V229-I296 HydrophobicContact CG1-CD1 4.42Å; V229-I296 HydrophobicContact CG1-CG1 4.25Å; V229-I296 HydrophobicContact CG2-CD1 4.36Å; V229-I296 HydrophobicContact CG2-CG1 4.42Å; V229-I296 HydrophobicContact CG2-CG2 4.48Å
230S97Very high90.7Very high23 Ų2358.9 Ų58.916%0.16131%0.31CS..EExtended strand (participates in β ladder)trans-116.3160.3-170.9-84.10000113.6H228 I232 I294 E295H228-S230 PolarHBondContact CE1-OG 3.15Å; H228-S230 PolarHBondContact NE2-OG 2.84Å; S230-I232 PolarHBondContact O-N 2.68Å; S230-I294 WeakPolarHBondContact O-CA 3.47Å; S230-E295 PolarHBondContact N-O 3.04Å; S230-E295 PolarHBondContact O-N 3.49Å
231N97.2Very high92.5Very high80 Ų8052.9 Ų52.943%0.42827%0.274SS..SBendtrans58.827.3-178.5-162.630.2000114.9G265 R292 K293N231-G265 WeakPolarHBondContact CA-O 3.35Å; N231-G265 PolarHBondContact N-O 2.79Å; N231-R292 WeakPolarHBondContact O-CB 3.39Å; N231-K293 WeakPolarHBondContact CB-O 3.26Å; N231-K293 PolarHBondContact ND2-O 3.11Å
232I96.4Very high94.2Very high1 Ų158 Ų581%0.00529%0.291CS..  trans-70.5154.2176.360.5173.8000111.2V229 S230 F236 L241 I256 G265 R292 I294V229-I232 HydrophobicContact CG1-CG2 3.7Å; S230-I232 PolarHBondContact O-N 2.68Å; I232-F236 HydrophobicContact CB-CD1 4.31Å; I232-F236 HydrophobicContact CB-CG 4.49Å; I232-F236 HydrophobicContact CD1-CB 4.11Å; I232-L241 HydrophobicContact CD1-CD1 4.25Å; I232-L241 HydrophobicContact CD1-CD2 4.32Å; I232-L241 HydrophobicContact CG2-CD2 4.31Å; I232-I256 HydrophobicContact CD1-CD1 4.39Å; I232-G265 VanDerWaalsContact CG1-C 3.49Å; I232-G265 WeakPolarHBondContact CG1-O 3.26Å; I232-G265 PolarHBondContact N-O 2.97Å; I232-R292 PolarHBondContact O-NH1 3.34Å; I232-I294 HydrophobicContact CG2-CG2 3.98Å
233P95.5Very high95.4Very high3 Ų361.3 Ų61.32%0.01930%0.301CS..  trans-60.3143.1176.2-23.134.2000112.4R235 F236 E290P233-R235 PolarHBondContact O-N 3.04Å; P233-F236 HydrophobicContact CB-CD2 3.85Å; P233-F236 HydrophobicContact CB-CE2 4.28Å; P233-F236 HydrophobicContact CG-CD2 3.79Å; P233-F236 HydrophobicContact CG-CE2 3.78Å; P233-F236 WeakPolarHBondContact O-CB 3.41Å; P233-F236 PolarHBondContact O-N 2.77Å; P233-E290 HydrophobicContact CB-CB 4.37Å; P233-E290 HydrophobicContact CB-CG 4.5Å; P233-E290 WeakPolarHBondContact CB-OE2 3.38Å; P233-E290 HydrophobicContact CG-CB 3.69Å; P233-E290 HydrophobicContact CG-CG 3.9Å; P233-E290 VanDerWaalsContact CG-OE2 3.28Å; P233-E290 WeakPolarHBondContact CG-OE2 3.49Å
234F96Very high96Very high104 Ų10461.4 Ų61.446%0.45629%0.293SS..THydrogen-bonded Turntrans-64.3-16.3-178.5-58-54.1000113.6R237 S263F234-R237 PolarHBondContact O-NH1 2.73Å; F234-S263 VanDerWaalsContact CA-OG 3.26Å; F234-S263 WeakPolarHBondContact CA-OG 3.24Å; F234-S263 WeakPolarHBondContact CD1-O 3.08Å; F234-S263 PolarHBondContact O-OG 3.2Å
235R95.4Very high96.1Very high194 Ų19457.2 Ų57.273%0.73227%0.265SS*.THydrogen-bonded Turntrans-73.6-25.6174.1-58.8-172.675.5-1702.8113P233 R237P233-R235 PolarHBondContact O-N 3.04Å; R235-R237 PolarHBondContact O-NH1 2.75Å; R235-R237 VanDerWaalsContact O-NH1 3.08Å
236F95.8Very high96.2Very high20 Ų2056.9 Ų56.99%0.08827%0.273CS..  trans-58.3142.5-174-92.3-135.4000113.2I232 P233 D240 L241 L244 V289 E290I232-F236 HydrophobicContact CB-CD1 4.31Å; I232-F236 HydrophobicContact CB-CG 4.49Å; I232-F236 HydrophobicContact CD1-CB 4.11Å; P233-F236 HydrophobicContact CB-CD2 3.85Å; P233-F236 HydrophobicContact CB-CE2 4.28Å; P233-F236 HydrophobicContact CG-CD2 3.79Å; P233-F236 HydrophobicContact CG-CE2 3.78Å; P233-F236 WeakPolarHBondContact O-CB 3.41Å; P233-F236 PolarHBondContact O-N 2.77Å; F236-D240 WeakPolarHBondContact CA-OD2 3.14Å; F236-D240 HydrophobicContact CB-CB 4.43Å; F236-D240 HydrophobicContact CD1-CB 3.66Å; F236-D240 HydrophobicContact CD2-CB 4.18Å; F236-D240 HydrophobicContact CE1-CB 3.77Å; F236-D240 HydrophobicContact CE2-CB 4.29Å; F236-D240 HydrophobicContact CG-CB 3.86Å; F236-D240 HydrophobicContact CZ-CB 4.07Å; F236-L241 HydrophobicContact CD1-CD2 4.1Å; F236-L241 HydrophobicContact CD1-CG 4.37Å; F236-L244 HydrophobicContact CE1-CD2 4.47Å; F236-V289 HydrophobicContact CE1-CG1 4.15Å; F236-V289 HydrophobicContact CE2-CG1 4.08Å; F236-V289 HydrophobicContact CZ-CG1 3.43Å; F236-V289 VanDerWaalsContact CZ-CG1 3.43Å; F236-E290 HydrophobicContact CE2-CG 4.37Å
237R96.2Very high96.2Very high113 Ų11360.6 Ų60.643%0.42630%0.301SS..  trans-128.9174.8176.8-60.9-59.2177.9-98.20.2109.5F234 R235 A239 D240 L241 I256F234-R237 PolarHBondContact O-NH1 2.73Å; R235-R237 PolarHBondContact O-NH1 2.75Å; R235-R237 VanDerWaalsContact O-NH1 3.08Å; R237-A239 PolarHBondContact O-N 3.11Å; R237-D240 PolarHBondContact N-OD2 2.82Å; R237-D240 PolarHBondContact O-N 3.08Å; R237-D240 VanDerWaalsContact O-N 3.08Å; R237-L241 PolarHBondContact O-N 3.15Å; R237-I256 VanDerWaalsContact CA-CD1 3.44Å; R237-I256 WeakPolarHBondContact O-CD1 3.41Å
238E96Very high96.1Very high99 Ų9963.4 Ų63.446%0.46331%0.313SS..Hα-helixtrans-59.4-31.7-176.7-70.6140-146.600112.6R242 V254E238-R242 WeakPolarHBondContact O-CB 3.18Å; E238-R242 PolarHBondContact O-N 2.84Å; E238-V254 HydrophobicContact CB-CB 4.21Å; E238-V254 HydrophobicContact CB-CG1 3.96Å; E238-V254 HydrophobicContact CG-CB 4.13Å; E238-V254 HydrophobicContact CG-CG1 3.79Å
239A96.7Very high96Very high71 Ų7162.1 Ų62.159%0.58731%0.313SS*.Hα-helixtrans-62.7-45.4173.200000112.7R237 L241 R242 Q243R237-A239 PolarHBondContact O-N 3.11Å; A239-L241 PolarHBondContact O-N 2.89Å; A239-R242 CarbonylContact O-C 3.55Å; A239-R242 PolarHBondContact O-N 3.2Å; A239-Q243 WeakPolarHBondContact O-CB 3.32Å; A239-Q243 PolarHBondContact O-N 3.14Å
240D96.4Very high95.9Very high54 Ų5466.5 Ų66.529%0.28934%0.339SS..Hα-helixtrans-67.3-38.9-178.5-47.9-58.1000111.2F236 R237 Q243 L244F236-D240 WeakPolarHBondContact CA-OD2 3.14Å; F236-D240 HydrophobicContact CB-CB 4.43Å; F236-D240 HydrophobicContact CD1-CB 3.66Å; F236-D240 HydrophobicContact CD2-CB 4.18Å; F236-D240 HydrophobicContact CE1-CB 3.77Å; F236-D240 HydrophobicContact CE2-CB 4.29Å; F236-D240 HydrophobicContact CG-CB 3.86Å; F236-D240 HydrophobicContact CZ-CB 4.07Å; R237-D240 PolarHBondContact N-OD2 2.82Å; R237-D240 PolarHBondContact O-N 3.08Å; R237-D240 VanDerWaalsContact O-N 3.08Å; D240-Q243 PolarHBondContact O-N 3.13Å; D240-L244 WeakPolarHBondContact O-CB 3.2Å; D240-L244 PolarHBondContact O-N 3.06Å
241L96.2Very high95.8Very high0 Ų066.1 Ų66.10%034%0.335CS..Hα-helixtrans-65.8-41.1171.8-74-177.5000111.9V229 I232 F236 R237 A239 Q243 L244 L245 V254 I256 V269V229-L241 HydrophobicContact CG1-CD2 4.11Å; I232-L241 HydrophobicContact CD1-CD1 4.25Å; I232-L241 HydrophobicContact CD1-CD2 4.32Å; I232-L241 HydrophobicContact CG2-CD2 4.31Å; F236-L241 HydrophobicContact CD1-CD2 4.1Å; F236-L241 HydrophobicContact CD1-CG 4.37Å; R237-L241 PolarHBondContact O-N 3.15Å; A239-L241 PolarHBondContact O-N 2.89Å; L241-Q243 VanDerWaalsContact C-N 3.33Å; L241-Q243 PolarHBondContact O-N 2.99Å; L241-L244 PolarHBondContact O-N 3.19Å; L241-L245 HydrophobicContact CD2-CD1 4.38Å; L241-L245 VanDerWaalsContact O-CB 3.32Å; L241-L245 WeakPolarHBondContact O-CB 3.28Å; L241-L245 PolarHBondContact O-N 2.98Å; L241-V254 HydrophobicContact CB-CG1 3.93Å; L241-V254 HydrophobicContact CD1-CG1 3.78Å; L241-V254 HydrophobicContact CG-CG1 4.5Å; L241-I256 HydrophobicContact CD1-CD1 3.77Å; L241-I256 HydrophobicContact CD1-CG1 3.64Å; L241-I256 HydrophobicContact CG-CD1 4.27Å; L241-V269 HydrophobicContact CB-CG2 4.44Å; L241-V269 HydrophobicContact CD1-CG2 4.2Å
242R96.1Very high95.7Very high132 Ų13266.8 Ų66.850%0.49834%0.339SS..Hα-helixtrans-62.7-38172.9-86.3-168.9159.3171-5.5112.5E238 A239 G246 I251 V254E238-R242 WeakPolarHBondContact O-CB 3.18Å; E238-R242 PolarHBondContact O-N 2.84Å; A239-R242 CarbonylContact O-C 3.55Å; A239-R242 PolarHBondContact O-N 3.2Å; R242-G246 VanDerWaalsContact O-CA 3.26Å; R242-G246 WeakPolarHBondContact O-CA 3.49Å; R242-G246 PolarHBondContact O-N 2.94Å; R242-I251 HydrophobicContact CG-CD1 4.23Å; R242-I251 HydrophobicContact CG-CG2 4.33Å; R242-I251 PolarHBondContact NH2-O 2.91Å; R242-V254 HydrophobicContact CG-CG2 3.83Å
243Q96.1Very high95.6Very high153 Ų15369.2 Ų69.272%0.71535%0.352SS*.Hα-helixtrans-69.3-39.2177.8-170.3176.217.100112.1A239 D240 L241 P247A239-Q243 WeakPolarHBondContact O-CB 3.32Å; A239-Q243 PolarHBondContact O-N 3.14Å; D240-Q243 PolarHBondContact O-N 3.13Å; L241-Q243 VanDerWaalsContact C-N 3.33Å; L241-Q243 PolarHBondContact O-N 2.99Å; Q243-P247 WeakPolarHBondContact O-CD 3.42Å
244L94.8Very high95.7Very high41 Ų4169.8 Ų69.822%0.21536%0.355CS..Hα-helixtrans-72-40.1179.1-175.765.2000112.9F236 D240 L241 L284 V289 I294F236-L244 HydrophobicContact CE1-CD2 4.47Å; D240-L244 WeakPolarHBondContact O-CB 3.2Å; D240-L244 PolarHBondContact O-N 3.06Å; L241-L244 PolarHBondContact O-N 3.19Å; L244-L284 HydrophobicContact CD1-CD2 3.87Å; L244-L284 HydrophobicContact CG-CD1 4.02Å; L244-L284 HydrophobicContact CG-CD2 4.21Å; L244-V289 HydrophobicContact CD1-CG2 4.49Å; L244-V289 HydrophobicContact CD2-CG2 4.21Å; L244-I294 HydrophobicContact CD2-CD1 3.86Å
245L95.1Very high95.7Very high0 Ų067.2 Ų67.20%034%0.344CS..Hα-helixtrans-100.4-21.2-172-75.6153.7000114.1V229 L241 P247 F248 I251 V269 F271 A280 L284 I296V229-L245 HydrophobicContact CG2-CD1 4Å; L241-L245 HydrophobicContact CD2-CD1 4.38Å; L241-L245 VanDerWaalsContact O-CB 3.32Å; L241-L245 WeakPolarHBondContact O-CB 3.28Å; L241-L245 PolarHBondContact O-N 2.98Å; L245-P247 VanDerWaalsContact C-CD 3.43Å; L245-F248 PolarHBondContact O-N 3.49Å; L245-F248 VanDerWaalsContact O-N 3.11Å; L245-I251 HydrophobicContact CB-CD1 3.68Å; L245-V269 HydrophobicContact CD1-CB 4.22Å; L245-V269 HydrophobicContact CD1-CG1 4.21Å; L245-V269 HydrophobicContact CD1-CG2 3.73Å; L245-F271 HydrophobicContact CB-CZ 3.99Å; L245-F271 HydrophobicContact CD2-CE2 4.29Å; L245-F271 HydrophobicContact CD2-CZ 4.07Å; L245-A280 HydrophobicContact CD2-CB 3.88Å; L245-L284 HydrophobicContact CD2-CD1 3.43Å; L245-L284 VanDerWaalsContact CD2-CD1 3.43Å; L245-L284 HydrophobicContact CG-CD1 3.9Å; L245-I296 HydrophobicContact CD2-CD1 4.07Å
246G95.7Very high95.7Very high33 Ų3358.4 Ų58.434%0.3431%0.312SS..G310 helixtrans-59-33.3-179.800000115.8R242 F248 G249R242-G246 VanDerWaalsContact O-CA 3.26Å; R242-G246 WeakPolarHBondContact O-CA 3.49Å; R242-G246 PolarHBondContact O-N 2.94Å; G246-F248 PolarHBondContact O-N 2.66Å; G246-F248 VanDerWaalsContact O-N 3.08Å; G246-G249 PolarHBondContact O-N 2.79Å; G246-G249 VanDerWaalsContact O-O 3.14Å
247P95.9Very high95.7Very high106 Ų10659.4 Ų59.469%0.68832%0.317SS*.G310 helixtrans-60.8-15.7173.8-26.836.5000114.8Q243 L245Q243-P247 WeakPolarHBondContact O-CD 3.42Å; L245-P247 VanDerWaalsContact C-CD 3.43Å
248F94.9Very high95.7Very high59 Ų5958.7 Ų58.726%0.25932%0.317SS..G310 helixtrans-98.3-11.3-179.6-58.7-83.2000113.9L245 G246 A280 N283 L284L245-F248 PolarHBondContact O-N 3.49Å; L245-F248 VanDerWaalsContact O-N 3.11Å; G246-F248 PolarHBondContact O-N 2.66Å; G246-F248 VanDerWaalsContact O-N 3.08Å; F248-A280 HydrophobicContact CB-CB 3.69Å; F248-A280 HydrophobicContact CD2-CB 4.44Å; F248-A280 HydrophobicContact CG-CB 4.03Å; F248-N283 HydrophobicContact CD1-CB 4.3Å; F248-N283 HydrophobicContact CE1-CB 3.4Å; F248-N283 HydrophobicContact CZ-CB 3.75Å; F248-L284 HydrophobicContact CD2-CD1 3.97Å; F248-L284 HydrophobicContact CE2-CD1 3.53Å; F248-L284 HydrophobicContact CE2-CD2 4.3Å; F248-L284 HydrophobicContact CE2-CG 3.78Å; F248-L284 HydrophobicContact CZ-CD1 4.3Å; F248-L284 HydrophobicContact CZ-CG 4.06Å
249G94.8Very high95.6Very high19 Ų1958.6 Ų58.620%0.19632%0.32CS..SBendtrans162.6177.9-177.600000116.1G246 I251 E276G246-G249 PolarHBondContact O-N 2.79Å; G246-G249 VanDerWaalsContact O-O 3.14Å; G249-I251 PolarHBondContact O-N 3.49Å; G249-E276 VanDerWaalsContact CA-OE2 3.22Å; G249-E276 WeakPolarHBondContact CA-OE2 3.35Å
250T95.8Very high95.5Very high91 Ų9164.1 Ų64.156%0.55833%0.334SS*.  trans-81.7111.4-176.9-59.20000110.7L252 F271 A272 E276T250-L252 PolarHBondContact O-N 3.45Å; T250-F271 CarbonylContact O-C 3.55Å; T250-F271 WeakPolarHBondContact O-CA 2.97Å; T250-A272 HydrophobicContact CG2-CB 4.24Å; T250-A272 PolarHBondContact O-N 2.87Å; T250-E276 PolarHBondContact N-OE2 2.8Å
251I95.9Very high95.4Very high15 Ų1572.2 Ų72.28%0.07736%0.36CS..EExtended strand (participates in β ladder)trans-90.9104.3-177.7-61.2168.7000111R242 L245 G249 V254 V269 T270 F271R242-I251 HydrophobicContact CG-CD1 4.23Å; R242-I251 HydrophobicContact CG-CG2 4.33Å; R242-I251 PolarHBondContact NH2-O 2.91Å; L245-I251 HydrophobicContact CB-CD1 3.68Å; G249-I251 PolarHBondContact O-N 3.49Å; I251-V254 HydrophobicContact CG2-CG2 3.41Å; I251-V254 VanDerWaalsContact CG2-CG2 3.41Å; I251-V269 HydrophobicContact CD1-CG1 4.1Å; I251-V269 HydrophobicContact CG1-CG1 4.05Å; I251-V269 HydrophobicContact CG2-CG1 3.71Å; I251-T270 CarbonylContact C-O 3.4Å; I251-F271 HydrophobicContact CD1-CE1 4.48Å; I251-F271 HydrophobicContact CG1-CD1 4.12Å; I251-F271 HydrophobicContact CG1-CE1 3.82Å; I251-F271 HydrophobicContact CG1-CZ 4.18Å
252L94.8Very high95.4Very high95 Ų9573.7 Ų73.750%0.49738%0.376SS..EExtended strand (participates in β ladder)trans-62.3-44.4175.1-60-179.2000112.1P224 T250 T270 A272P224-L252 HydrophobicContact CB-CD1 3.9Å; P224-L252 HydrophobicContact CG-CD1 4.1Å; T250-L252 PolarHBondContact O-N 3.45Å; L252-T270 PolarHBondContact N-O 2.72Å; L252-A272 HydrophobicContact CD2-CB 4.16Å; L252-A272 HydrophobicContact CG-CB 4.28Å
253D94.6Very high95.3Very high52 Ų5268.1 Ų68.128%0.27836%0.357SS..EExtended strand (participates in β ladder)trans-153.6143.9-169.1-172.417.5000112.4T270 R302D253-T270 PolarHBondContact N-O 2.64Å; D253-T270 PolarHBondContact O-N 2.86Å; D253-R302 IonicContact OD1-NH2 3.8Å; D253-R302 IonicContact OD2-CZ 2.8Å; D253-R302 IonicContact OD2-NH1 3.77Å; D253-R302 PolarHBondContact OD2-NH1 3.37Å; D253-R302 IonicContact OD2-NH2 2.75Å; D253-R302 PolarHBondContact OD2-NH2 2.71Å
254V95.8Very high95.3Very high15 Ų1566.8 Ų66.89%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-135.2133.3177-178.30000109.3E238 L241 R242 I251 F268 V269E238-V254 HydrophobicContact CB-CB 4.21Å; E238-V254 HydrophobicContact CB-CG1 3.96Å; E238-V254 HydrophobicContact CG-CB 4.13Å; E238-V254 HydrophobicContact CG-CG1 3.79Å; L241-V254 HydrophobicContact CB-CG1 3.93Å; L241-V254 HydrophobicContact CD1-CG1 3.78Å; L241-V254 HydrophobicContact CG-CG1 4.5Å; R242-V254 HydrophobicContact CG-CG2 3.83Å; I251-V254 HydrophobicContact CG2-CG2 3.41Å; I251-V254 VanDerWaalsContact CG2-CG2 3.41Å; V254-F268 WeakPolarHBondContact CA-O 3.37Å; V254-V269 HydrophobicContact CG1-CG2 4.2Å; V254-V269 HydrophobicContact CG2-CG1 4.34Å; V254-V269 HydrophobicContact CG2-CG2 4.24Å
255E95.9Very high95.4Very high50 Ų5065.1 Ų65.123%0.23434%0.342CS..EExtended strand (participates in β ladder)trans-136.6111.3-176.1176.6-173.7174.100109.2R226 I257 G267 F268 R302R226-E255 IonicContact CZ-OE2 3.14Å; R226-E255 IonicContact NH2-OE1 3.84Å; R226-E255 IonicContact NH2-OE2 2.68Å; R226-E255 PolarHBondContact NH2-OE2 3.49Å; E255-I257 HydrophobicContact CG-CD1 4.01Å; E255-G267 CarbonylContact O-C 3.55Å; E255-G267 WeakPolarHBondContact O-CA 3.47Å; E255-F268 HydrophobicContact CB-CB 4.47Å; E255-F268 PolarHBondContact N-O 3.43Å; E255-F268 PolarHBondContact O-N 2.87Å; E255-R302 IonicContact OE2-CZ 2.65Å; E255-R302 IonicContact OE2-NE 2.8Å; E255-R302 PolarHBondContact OE2-NE 2.96Å; E255-R302 IonicContact OE2-NH2 2.73Å; E255-R302 PolarHBondContact OE2-NH2 3.09Å
256I96.2Very high95.5Very high9 Ų967.2 Ų67.25%0.04635%0.351CS..EExtended strand (participates in β ladder)trans-95.3133.8171.9-70.5174.6000109.2I232 R237 L241 F258I232-I256 HydrophobicContact CD1-CD1 4.39Å; R237-I256 VanDerWaalsContact CA-CD1 3.44Å; R237-I256 WeakPolarHBondContact O-CD1 3.41Å; L241-I256 HydrophobicContact CD1-CD1 3.77Å; L241-I256 HydrophobicContact CD1-CG1 3.64Å; L241-I256 HydrophobicContact CG-CD1 4.27Å; I256-F258 HydrophobicContact CB-CE2 3.88Å; I256-F258 HydrophobicContact CB-CZ 4.21Å; I256-F258 HydrophobicContact CG2-CD2 4.3Å; I256-F258 HydrophobicContact CG2-CE1 4.39Å; I256-F258 HydrophobicContact CG2-CE2 3.75Å; I256-F258 HydrophobicContact CG2-CZ 3.8Å; I256-F258 WeakPolarHBondContact O-CD2 3.25Å; I256-F258 WeakPolarHBondContact O-CE2 3.49Å
257I96Very high95.5Very high41 Ų4165.7 Ų65.721%0.2134%0.335CS..EExtended strand (participates in β ladder)trans-85.7121.6-179.6-58.3-53000109.3E255 K264 F266 F268E255-I257 HydrophobicContact CG-CD1 4.01Å; I257-K264 HydrophobicContact CG2-CB 4.3Å; I257-K264 HydrophobicContact CG2-CD 4.09Å; I257-K264 VanDerWaalsContact O-CB 3.24Å; I257-K264 WeakPolarHBondContact O-CB 3.37Å; I257-K264 PolarHBondContact O-N 2.86Å; I257-F266 HydrophobicContact CB-CD2 4.21Å; I257-F266 HydrophobicContact CB-CE2 3.8Å; I257-F266 HydrophobicContact CB-CZ 4.11Å; I257-F266 HydrophobicContact CG1-CD2 3.99Å; I257-F266 HydrophobicContact CG1-CE2 3.53Å; I257-F266 HydrophobicContact CG1-CZ 4.26Å; I257-F266 HydrophobicContact CG2-CE2 4.19Å; I257-F266 HydrophobicContact CG2-CZ 4.05Å; I257-F266 PolarHBondContact N-O 3.12Å; I257-F268 HydrophobicContact CD1-CD2 4.25Å; I257-F268 HydrophobicContact CD1-CE2 4.03Å; I257-F268 HydrophobicContact CG1-CD2 4.27Å; I257-F268 HydrophobicContact CG1-CE2 3.87Å
258F95.8Very high95.6Very high97 Ų9762.5 Ų62.543%0.42531%0.31SS..EExtended strand (participates in β ladder)trans-103153.6175.8-64.3-92.3000111.3I256I256-F258 HydrophobicContact CB-CE2 3.88Å; I256-F258 HydrophobicContact CB-CZ 4.21Å; I256-F258 HydrophobicContact CG2-CD2 4.3Å; I256-F258 HydrophobicContact CG2-CE1 4.39Å; I256-F258 HydrophobicContact CG2-CE2 3.75Å; I256-F258 HydrophobicContact CG2-CZ 3.8Å; I256-F258 WeakPolarHBondContact O-CD2 3.25Å; I256-F258 WeakPolarHBondContact O-CE2 3.49Å
259N94.7Very high95.7Very high97 Ų9759.7 Ų59.752%0.51930%0.298SS..EExtended strand (participates in β ladder)trans-121.5173.7163.9-170.529000108.3R261 G262N259-R261 PolarHBondContact O-N 3.09Å; N259-G262 PolarHBondContact N-O 3Å; N259-G262 PolarHBondContact O-N 3.41Å; N259-G262 VanDerWaalsContact O-O 3.06Å
260E94.2Very high95.7Very high188 Ų18859.8 Ų59.888%0.87930%0.295SS*.THydrogen-bonded Turntrans-52.2-28.9177.269.8-158.9148.900114.4
261R94.2Very high95.8Very high223 Ų22355.4 Ų55.484%0.84227%0.268SS*.THydrogen-bonded Turntrans-84.4-3.5178-164.2177.4175.7-80.10.3114.2N259N259-R261 PolarHBondContact O-N 3.09Å
262G95.1Very high95.7Very high32 Ų3256.1 Ų56.133%0.3328%0.276SS..EExtended strand (participates in β ladder)trans116.4-161.1-171.800000113N259N259-G262 PolarHBondContact N-O 3Å; N259-G262 PolarHBondContact O-N 3.41Å; N259-G262 VanDerWaalsContact O-O 3.06Å
263S95.5Very high95.6Very high14 Ų1453.4 Ų53.410%0.09826%0.264CS..EExtended strand (participates in β ladder)trans-64.7146.1-175.669.50000112.2F234 G265F234-S263 VanDerWaalsContact CA-OG 3.26Å; F234-S263 WeakPolarHBondContact CA-OG 3.24Å; F234-S263 WeakPolarHBondContact CD1-O 3.08Å; F234-S263 PolarHBondContact O-OG 3.2Å; S263-G265 VanDerWaalsContact C-N 3.31Å; S263-G265 PolarHBondContact O-N 3.49Å
264K96.5Very high95.6Very high125 Ų12551 Ų5154%0.54325%0.251SS..EExtended strand (participates in β ladder)trans-87.12.7-175.8-158.2173.1170.6-167.80113.4I257 F266I257-K264 HydrophobicContact CG2-CB 4.3Å; I257-K264 HydrophobicContact CG2-CD 4.09Å; I257-K264 VanDerWaalsContact O-CB 3.24Å; I257-K264 WeakPolarHBondContact O-CB 3.37Å; I257-K264 PolarHBondContact O-N 2.86Å; K264-F266 HydrophobicContact CB-CD1 4.21Å; K264-F266 HydrophobicContact CB-CE1 4.02Å; K264-F266 HydrophobicContact CD-CD1 4.41Å; K264-F266 HydrophobicContact CD-CE1 3.45Å; K264-F266 VanDerWaalsContact CD-CE1 3.45Å; K264-F266 HydrophobicContact CD-CZ 3.86Å; K264-F266 HydrophobicContact CG-CD1 4.14Å; K264-F266 HydrophobicContact CG-CE1 3.64Å; K264-F266 HydrophobicContact CG-CZ 4.47Å
265G96Very high95.5Very high7 Ų754 Ų547%0.07226%0.264CS..EExtended strand (participates in β ladder)trans77.118.3-179.200000114.7N231 I232 S263N231-G265 WeakPolarHBondContact CA-O 3.35Å; N231-G265 PolarHBondContact N-O 2.79Å; I232-G265 VanDerWaalsContact CG1-C 3.49Å; I232-G265 WeakPolarHBondContact CG1-O 3.26Å; I232-G265 PolarHBondContact N-O 2.97Å; S263-G265 VanDerWaalsContact C-N 3.31Å; S263-G265 PolarHBondContact O-N 3.49Å
266F96.6Very high95.5Very high44 Ų4453.5 Ų53.519%0.19326%0.262CS..EExtended strand (participates in β ladder)trans-150.3162.7170.368.8-95.7000112H228 V229 I257 K264 F268H228-F266 AromaticContact CD2-CD2 3.94Å; H228-F266 AromaticContact NE2-CD2 3.35Å; H228-F266 VanDerWaalsContact NE2-CD2 3.35Å; H228-F266 WeakPolarHBondContact NE2-CD2 3.44Å; H228-F266 AromaticContact NE2-CG 3.72Å; V229-F266 CarbonylContact O-C 3.59Å; V229-F266 WeakPolarHBondContact O-CA 3.35Å; V229-F266 VanDerWaalsContact O-CB 3.28Å; V229-F266 WeakPolarHBondContact O-CB 3.49Å; I257-F266 HydrophobicContact CB-CD2 4.21Å; I257-F266 HydrophobicContact CB-CE2 3.8Å; I257-F266 HydrophobicContact CB-CZ 4.11Å; I257-F266 HydrophobicContact CG1-CD2 3.99Å; I257-F266 HydrophobicContact CG1-CE2 3.53Å; I257-F266 HydrophobicContact CG1-CZ 4.26Å; I257-F266 HydrophobicContact CG2-CE2 4.19Å; I257-F266 HydrophobicContact CG2-CZ 4.05Å; I257-F266 PolarHBondContact N-O 3.12Å; K264-F266 HydrophobicContact CB-CD1 4.21Å; K264-F266 HydrophobicContact CB-CE1 4.02Å; K264-F266 HydrophobicContact CD-CD1 4.41Å; K264-F266 HydrophobicContact CD-CE1 3.45Å; K264-F266 VanDerWaalsContact CD-CE1 3.45Å; K264-F266 HydrophobicContact CD-CZ 3.86Å; K264-F266 HydrophobicContact CG-CD1 4.14Å; K264-F266 HydrophobicContact CG-CE1 3.64Å; K264-F266 HydrophobicContact CG-CZ 4.47Å; F266-F268 HydrophobicContact CE2-CE2 4.34Å; F266-F268 HydrophobicContact CE2-CZ 4.41Å
267G96.8Very high95.5Very high0 Ų053.1 Ų53.10%026%0.259CS..EExtended strand (participates in β ladder)trans-155.5-178.9175.900000112.7H228 V229 E255H228-G267 PolarHBondContact CD2-O 2.95Å; V229-G267 PolarHBondContact N-O 3.22Å; V229-G267 PolarHBondContact O-N 3.4Å; E255-G267 CarbonylContact O-C 3.55Å; E255-G267 WeakPolarHBondContact O-CA 3.47Å
268F97.2Very high95.5Very high39 Ų3952.7 Ų52.717%0.17126%0.258CS..EExtended strand (participates in β ladder)trans-123.4142.6176.2-56.6-81.4000110.3R226 L227 H228 V254 E255 I257 F266 A299R226-F268 HydrophobicContact CG-CB 4.25Å; R226-F268 VanDerWaalsContact NH2-CD2 3.25Å; R226-F268 VanDerWaalsContact NH2-CG 3.29Å; L227-F268 VanDerWaalsContact O-CA 3.24Å; L227-F268 WeakPolarHBondContact O-CA 3.09Å; H228-F268 HydrophobicContact CB-CD1 3.99Å; H228-F268 HydrophobicContact CB-CE1 3.92Å; H228-F268 AromaticContact CD2-CD1 3.98Å; H228-F268 AromaticContact CD2-CE1 3.53Å; H228-F268 AromaticContact CD2-CZ 3.99Å; H228-F268 AromaticContact CG-CE1 3.93Å; V254-F268 WeakPolarHBondContact CA-O 3.37Å; E255-F268 HydrophobicContact CB-CB 4.47Å; E255-F268 PolarHBondContact N-O 3.43Å; E255-F268 PolarHBondContact O-N 2.87Å; I257-F268 HydrophobicContact CD1-CD2 4.25Å; I257-F268 HydrophobicContact CD1-CE2 4.03Å; I257-F268 HydrophobicContact CG1-CD2 4.27Å; I257-F268 HydrophobicContact CG1-CE2 3.87Å; F266-F268 HydrophobicContact CE2-CE2 4.34Å; F266-F268 HydrophobicContact CE2-CZ 4.41Å; F268-A299 HydrophobicContact CD1-CB 3.82Å; F268-A299 HydrophobicContact CE1-CB 4.12Å
269V96.6Very high95.5Very high0 Ų053.4 Ų53.40%026%0.262CS..EExtended strand (participates in β ladder)trans-130.9130.9179.11780000108.4R226 L227 V229 L241 L245 I251 V254 F271R226-V269 CarbonylContact C-O 3.57Å; R226-V269 WeakPolarHBondContact CA-O 3.49Å; L227-V269 PolarHBondContact N-O 3.44Å; L227-V269 PolarHBondContact O-N 2.87Å; V229-V269 HydrophobicContact CG2-CG2 4.15Å; L241-V269 HydrophobicContact CB-CG2 4.44Å; L241-V269 HydrophobicContact CD1-CG2 4.2Å; L245-V269 HydrophobicContact CD1-CB 4.22Å; L245-V269 HydrophobicContact CD1-CG1 4.21Å; L245-V269 HydrophobicContact CD1-CG2 3.73Å; I251-V269 HydrophobicContact CD1-CG1 4.1Å; I251-V269 HydrophobicContact CG1-CG1 4.05Å; I251-V269 HydrophobicContact CG2-CG1 3.71Å; V254-V269 HydrophobicContact CG1-CG2 4.2Å; V254-V269 HydrophobicContact CG2-CG1 4.34Å; V254-V269 HydrophobicContact CG2-CG2 4.24Å; V269-F271 HydrophobicContact CG1-CD2 4.29Å; V269-F271 HydrophobicContact CG1-CE2 3.97Å
270T95.9Very high95.5Very high21 Ų2148.8 Ų48.813%0.12924%0.238CC..EExtended strand (participates in β ladder)trans-113.4115.7-179.5-45.10000109.5P224 K225 R226 I251 L252 D253P224-T270 HydrophobicContact CB-CG2 4.37Å; K225-T270 WeakPolarHBondContact O-CA 3.43Å; R226-T270 HydrophobicContact CB-CG2 4.45Å; I251-T270 CarbonylContact C-O 3.4Å; L252-T270 PolarHBondContact N-O 2.72Å; D253-T270 PolarHBondContact N-O 2.64Å; D253-T270 PolarHBondContact O-N 2.86Å
271F96.6Very high95.6Very high0 Ų042.7 Ų42.70%021%0.206CC..EExtended strand (participates in β ladder)trans-86.5159.1174-75-91.6000111.5P224 K225 L227 L245 T250 I251 V269 T273 E276 A277 A280P224-F271 WeakPolarHBondContact CA-O 3.4Å; K225-F271 PolarHBondContact N-O 3.29Å; K225-F271 PolarHBondContact O-N 3.08Å; L227-F271 HydrophobicContact CD1-CD2 4.18Å; L227-F271 HydrophobicContact CD1-CE2 3.8Å; L245-F271 HydrophobicContact CB-CZ 3.99Å; L245-F271 HydrophobicContact CD2-CE2 4.29Å; L245-F271 HydrophobicContact CD2-CZ 4.07Å; T250-F271 CarbonylContact O-C 3.55Å; T250-F271 WeakPolarHBondContact O-CA 2.97Å; I251-F271 HydrophobicContact CD1-CE1 4.48Å; I251-F271 HydrophobicContact CG1-CD1 4.12Å; I251-F271 HydrophobicContact CG1-CE1 3.82Å; I251-F271 HydrophobicContact CG1-CZ 4.18Å; V269-F271 HydrophobicContact CG1-CD2 4.29Å; V269-F271 HydrophobicContact CG1-CE2 3.97Å; F271-T273 WeakPolarHBondContact CB-O 3.39Å; F271-E276 HydrophobicContact CB-CB 4.36Å; F271-E276 HydrophobicContact CD1-CB 3.85Å; F271-E276 HydrophobicContact CE1-CB 4.47Å; F271-E276 HydrophobicContact CG-CB 4.3Å; F271-A277 HydrophobicContact CB-CB 4.07Å; F271-A277 HydrophobicContact CD2-CB 3.73Å; F271-A277 HydrophobicContact CE2-CB 4.48Å; F271-A277 HydrophobicContact CG-CB 4.1Å; F271-A280 HydrophobicContact CE1-CB 4.39Å; F271-A280 HydrophobicContact CE2-CB 3.8Å; F271-A280 HydrophobicContact CZ-CB 3.54Å
272A94.1Very high95.7Very high30 Ų3039.5 Ų39.525%0.24820%0.201CC..SBendtrans-65.6-47.2175.500000111.9P224 T250 L252P224-A272 WeakPolarHBondContact CA-O 3.38Å; T250-A272 HydrophobicContact CG2-CB 4.24Å; T250-A272 PolarHBondContact O-N 2.87Å; L252-A272 HydrophobicContact CD2-CB 4.16Å; L252-A272 HydrophobicContact CG-CB 4.28Å
273T93.8Very high95.7Very high38 Ų3842.7 Ų42.723%0.23321%0.21CC..SBendtrans-111.4162.617372.50000111.8F271 E276F271-T273 WeakPolarHBondContact CB-O 3.39Å; T273-E276 WeakPolarHBondContact CB-OE1 3.32Å; T273-E276 VanDerWaalsContact CG2-OE1 3.27Å; T273-E276 WeakPolarHBondContact CG2-OE1 3.32Å; T273-E276 VanDerWaalsContact OG1-CG 3.23Å; T273-E276 WeakPolarHBondContact OG1-CG 3.24Å; T273-E276 PolarHBondContact OG1-N 2.93Å; T273-E276 PolarHBondContact OG1-OE1 3.33Å
274G93.9Very high95.8Very high0 Ų042.7 Ų42.70%021%0.209CC..Hα-helixtrans-84.1-18.3174.600000115.1N221 G223 K225 A277 D278N221-G274 PolarHBondContact ND2-O 2.89Å; N221-G274 WeakPolarHBondContact O-CA 3.25Å; N221-G274 PolarHBondContact O-N 3.09Å; N221-G274 PolarHBondContact OD1-O 2.94Å; G223-G274 PolarHBondContact O-N 2.82Å; K225-G274 PolarHBondContact NZ-O 3.36Å; G274-A277 PolarHBondContact O-N 3.43Å; G274-D278 PolarHBondContact O-N 3.35Å; G274-D278 VanDerWaalsContact O-OD2 3.11Å
275E94.6Very high95.8Very high79 Ų7940.5 Ų40.537%0.36920%0.203SC..Hα-helixtrans-68.5-50.1174-61.4-177.3165.600110.2N218 N221 A277 D278 H279N218-E275 PolarHBondContact ND2-OE1 3.06Å; N218-E275 PolarHBondContact OD1-OE1 3.42Å; N221-E275 PolarHBondContact ND2-N 3.2Å; E275-A277 VanDerWaalsContact C-N 3.25Å; E275-A277 PolarHBondContact O-N 3.49Å; E275-D278 PolarHBondContact O-N 3.35Å; E275-D278 VanDerWaalsContact O-N 3.09Å; E275-H279 PolarHBondContact O-CD2 2.8Å; E275-H279 PolarHBondContact O-N 2.7Å
276E95.2Very high95.8Very high40 Ų4041.4 Ų41.419%0.18721%0.213CC..Hα-helixtrans-51.7-44.1170.6-71.7159.2-126.400111.9G249 T250 F271 T273 H279 A280G249-E276 VanDerWaalsContact CA-OE2 3.22Å; G249-E276 WeakPolarHBondContact CA-OE2 3.35Å; T250-E276 PolarHBondContact N-OE2 2.8Å; F271-E276 HydrophobicContact CB-CB 4.36Å; F271-E276 HydrophobicContact CD1-CB 3.85Å; F271-E276 HydrophobicContact CE1-CB 4.47Å; F271-E276 HydrophobicContact CG-CB 4.3Å; T273-E276 WeakPolarHBondContact CB-OE1 3.32Å; T273-E276 VanDerWaalsContact CG2-OE1 3.27Å; T273-E276 WeakPolarHBondContact CG2-OE1 3.32Å; T273-E276 VanDerWaalsContact OG1-CG 3.23Å; T273-E276 WeakPolarHBondContact OG1-CG 3.24Å; T273-E276 PolarHBondContact OG1-N 2.93Å; T273-E276 PolarHBondContact OG1-OE1 3.33Å; E276-H279 PolarHBondContact O-N 2.65Å; E276-A280 VanDerWaalsContact O-CB 3.25Å; E276-A280 WeakPolarHBondContact O-CB 3.46Å; E276-A280 PolarHBondContact O-N 3.23Å
277A95.6Very high95.7Very high0 Ų041.5 Ų41.50%022%0.217CC..Hα-helixtrans-70.3-31.6179.300000113.7K225 L227 F271 G274 E275 R281K225-A277 HydrophobicContact CB-CB 3.86Å; K225-A277 HydrophobicContact CD-CB 3.95Å; K225-A277 HydrophobicContact CG-CB 3.96Å; L227-A277 HydrophobicContact CD1-CB 4.12Å; L227-A277 WeakPolarHBondContact CD1-O 3.31Å; L227-A277 HydrophobicContact CD2-CB 4.13Å; L227-A277 HydrophobicContact CG-CB 4.1Å; F271-A277 HydrophobicContact CB-CB 4.07Å; F271-A277 HydrophobicContact CD2-CB 3.73Å; F271-A277 HydrophobicContact CE2-CB 4.48Å; F271-A277 HydrophobicContact CG-CB 4.1Å; G274-A277 PolarHBondContact O-N 3.43Å; E275-A277 VanDerWaalsContact C-N 3.25Å; E275-A277 PolarHBondContact O-N 3.49Å; A277-R281 VanDerWaalsContact O-CB 3.32Å; A277-R281 WeakPolarHBondContact O-CB 3.49Å; A277-R281 PolarHBondContact O-N 2.76Å
278D95.5Very high95.7Very high32 Ų3246.3 Ų46.317%0.17125%0.246CC..Hα-helixtrans-69.7-44.7171.5-75-45.9000111.1N221 K225 G274 E275 A280 R281 E282N221-D278 PolarHBondContact ND2-OD2 2.97Å; N221-D278 PolarHBondContact OD1-OD2 3.49Å; K225-D278 IonicContact NZ-OD1 2.64Å; K225-D278 PolarHBondContact NZ-OD1 2.88Å; K225-D278 IonicContact NZ-OD2 3.06Å; K225-D278 PolarHBondContact NZ-OD2 3.39Å; G274-D278 PolarHBondContact O-N 3.35Å; G274-D278 VanDerWaalsContact O-OD2 3.11Å; E275-D278 PolarHBondContact O-N 3.35Å; E275-D278 VanDerWaalsContact O-N 3.09Å; D278-A280 PolarHBondContact O-N 3.38Å; D278-R281 PolarHBondContact O-N 3.28Å; D278-R281 IonicContact OD1-CZ 2.82Å; D278-R281 IonicContact OD1-NH1 3.18Å; D278-R281 PolarHBondContact OD1-NH1 3.44Å; D278-R281 IonicContact OD1-NH2 2.66Å; D278-R281 PolarHBondContact OD1-NH2 3.29Å; D278-E282 WeakPolarHBondContact O-CB 3.4Å; D278-E282 PolarHBondContact O-N 3.36Å
279H95.9Very high95.6Very high113 Ų11345.6 Ų45.652%0.52325%0.245SC..Hα-helixtrans-60.2-45.8176.5-71.6-169.2000111.4E275 E276 R281 E282 N283E275-H279 PolarHBondContact O-CD2 2.8Å; E275-H279 PolarHBondContact O-N 2.7Å; E276-H279 PolarHBondContact O-N 2.65Å; H279-R281 PolarHBondContact O-N 3.36Å; H279-E282 PolarHBondContact O-N 3.37Å; H279-N283 PolarHBondContact O-N 2.77Å; H279-N283 VanDerWaalsContact O-N 3.11Å; H279-N283 PolarHBondContact O-ND2 2.63Å
280A96.2Very high95.4Very high0 Ų051.4 Ų51.40%027%0.272CS..Hα-helixtrans-59.8-43.9174.800000112.1L227 L245 F248 F271 E276 D278 L284L227-A280 HydrophobicContact CD1-CB 4.28Å; L245-A280 HydrophobicContact CD2-CB 3.88Å; F248-A280 HydrophobicContact CB-CB 3.69Å; F248-A280 HydrophobicContact CD2-CB 4.44Å; F248-A280 HydrophobicContact CG-CB 4.03Å; F271-A280 HydrophobicContact CE1-CB 4.39Å; F271-A280 HydrophobicContact CE2-CB 3.8Å; F271-A280 HydrophobicContact CZ-CB 3.54Å; E276-A280 VanDerWaalsContact O-CB 3.25Å; E276-A280 WeakPolarHBondContact O-CB 3.46Å; E276-A280 PolarHBondContact O-N 3.23Å; D278-A280 PolarHBondContact O-N 3.38Å; A280-L284 WeakPolarHBondContact O-CB 3.49Å; A280-L284 PolarHBondContact O-N 3.47Å; A280-L284 VanDerWaalsContact O-N 3.15Å
281R96.4Very high95.4Very high60 Ų6053.8 Ų53.823%0.22630%0.301CS..Hα-helixtrans-63.1-48.2176.8-174.5-169.464.3-119.2-17.2111.2L227 A277 D278 H279 N283 N285 I296 N298L227-R281 HydrophobicContact CD1-CB 4.46Å; A277-R281 VanDerWaalsContact O-CB 3.32Å; A277-R281 WeakPolarHBondContact O-CB 3.49Å; A277-R281 PolarHBondContact O-N 2.76Å; D278-R281 PolarHBondContact O-N 3.28Å; D278-R281 IonicContact OD1-CZ 2.82Å; D278-R281 IonicContact OD1-NH1 3.18Å; D278-R281 PolarHBondContact OD1-NH1 3.44Å; D278-R281 IonicContact OD1-NH2 2.66Å; D278-R281 PolarHBondContact OD1-NH2 3.29Å; H279-R281 PolarHBondContact O-N 3.36Å; R281-N283 PolarHBondContact O-N 3.48Å; R281-N285 HydrophobicContact CG-CB 4.48Å; R281-N285 WeakPolarHBondContact O-CB 3.37Å; R281-N285 PolarHBondContact O-N 3.03Å; R281-I296 HydrophobicContact CB-CG2 4.16Å; R281-I296 HydrophobicContact CG-CB 4.23Å; R281-I296 HydrophobicContact CG-CG2 4.03Å; R281-I296 WeakPolarHBondContact CG-O 3.34Å; R281-N298 PolarHBondContact NH1-ND2 2.97Å; R281-N298 PolarHBondContact NH1-OD1 3.29Å
282E96.1Very high95.4Very high155 Ų15557.3 Ų57.372%0.72431%0.314SS*.Hα-helixtrans-64.1-41.1-175.6-174.8164.3-163.400112.6D278 H279D278-E282 WeakPolarHBondContact O-CB 3.4Å; D278-E282 PolarHBondContact O-N 3.36Å; H279-E282 PolarHBondContact O-N 3.37Å
283N95.6Very high95.5Very high99 Ų9961.5 Ų61.553%0.52933%0.327SS..Hα-helixtrans-78.7-34.2-177.5-75-89.3000114F248 H279 R281 T287F248-N283 HydrophobicContact CD1-CB 4.3Å; F248-N283 HydrophobicContact CE1-CB 3.4Å; F248-N283 HydrophobicContact CZ-CB 3.75Å; H279-N283 PolarHBondContact O-N 2.77Å; H279-N283 VanDerWaalsContact O-N 3.11Å; H279-N283 PolarHBondContact O-ND2 2.63Å; R281-N283 PolarHBondContact O-N 3.48Å; N283-T287 VanDerWaalsContact O-CG2 3.25Å; N283-T287 WeakPolarHBondContact O-CG2 3.34Å
284L96.1Very high95.7Very high15 Ų1559.7 Ų59.78%0.07932%0.316CS..Hα-helixtrans-101.8-19.1-174.2-71.6170.5000114.6L244 L245 F248 A280 G286 T287 I294 I296L244-L284 HydrophobicContact CD1-CD2 3.87Å; L244-L284 HydrophobicContact CG-CD1 4.02Å; L244-L284 HydrophobicContact CG-CD2 4.21Å; L245-L284 HydrophobicContact CD2-CD1 3.43Å; L245-L284 VanDerWaalsContact CD2-CD1 3.43Å; L245-L284 HydrophobicContact CG-CD1 3.9Å; F248-L284 HydrophobicContact CD2-CD1 3.97Å; F248-L284 HydrophobicContact CE2-CD1 3.53Å; F248-L284 HydrophobicContact CE2-CD2 4.3Å; F248-L284 HydrophobicContact CE2-CG 3.78Å; F248-L284 HydrophobicContact CZ-CD1 4.3Å; F248-L284 HydrophobicContact CZ-CG 4.06Å; A280-L284 WeakPolarHBondContact O-CB 3.49Å; A280-L284 PolarHBondContact O-N 3.47Å; A280-L284 VanDerWaalsContact O-N 3.15Å; L284-G286 PolarHBondContact O-N 3.03Å; L284-G286 VanDerWaalsContact O-N 3.1Å; L284-T287 HydrophobicContact CD2-CG2 4.39Å; L284-T287 WeakPolarHBondContact O-CB 3.45Å; L284-T287 PolarHBondContact O-N 2.8Å; L284-T287 VanDerWaalsContact O-N 3.07Å; L284-T287 PolarHBondContact O-OG1 2.89Å; L284-I294 HydrophobicContact CB-CD1 4.39Å; L284-I296 HydrophobicContact CB-CD1 3.54Å; L284-I296 HydrophobicContact CD1-CD1 4.3Å
285N96.5Very high95.8Very high78 Ų7864.1 Ų64.142%0.41734%0.336SS..THydrogen-bonded Turntrans-64.3113.7179.4-179.144.8000111.3R281 E295 I296R281-N285 HydrophobicContact CG-CB 4.48Å; R281-N285 WeakPolarHBondContact O-CB 3.37Å; R281-N285 PolarHBondContact O-N 3.03Å; N285-E295 WeakPolarHBondContact OD1-CA 3.42Å; N285-I296 HydrophobicContact CB-CB 4.19Å; N285-I296 PolarHBondContact OD1-N 3.32Å; N285-I296 PolarHBondContact OD1-O 2.89Å
286G95.7Very high95.9Very high26 Ų2660.4 Ų60.427%0.26832%0.319SS..THydrogen-bonded Turntrans88.56.3-177.900000115.4L284 K293 I294L284-G286 PolarHBondContact O-N 3.03Å; L284-G286 VanDerWaalsContact O-N 3.1Å; G286-K293 WeakPolarHBondContact O-CE 3.21Å; G286-K293 WeakPolarHBondContact O-CG 3.39Å; G286-I294 WeakPolarHBondContact CA-O 3.04Å; G286-I294 PolarHBondContact N-O 3Å
287T96.3Very high96Very high46 Ų4662.4 Ų62.428%0.28233%0.331SS..  trans-71163.5168.759.60000111.7N283 L284 K293 I294N283-T287 VanDerWaalsContact O-CG2 3.25Å; N283-T287 WeakPolarHBondContact O-CG2 3.34Å; L284-T287 HydrophobicContact CD2-CG2 4.39Å; L284-T287 WeakPolarHBondContact O-CB 3.45Å; L284-T287 PolarHBondContact O-N 2.8Å; L284-T287 VanDerWaalsContact O-N 3.07Å; L284-T287 PolarHBondContact O-OG1 2.89Å; T287-K293 CarbonylContact O-C 3.57Å; T287-K293 VanDerWaalsContact O-CA 3.31Å; T287-K293 WeakPolarHBondContact O-CA 3.45Å; T287-I294 PolarHBondContact O-N 2.72Å; T287-I294 WeakPolarHBondContact OG1-CG1 3.23Å
288V96.1Very high96Very high102 Ų10267.1 Ų67.162%0.61836%0.356SS*.EExtended strand (participates in β ladder)trans-110.9121.1-177.6-178.90000110.6R292 K293V288-R292 CarbonylContact C-O 3.55Å; V288-R292 WeakPolarHBondContact CA-O 3.22Å; V288-K293 HydrophobicContact CG2-CB 4.42Å
289V94.5Very high96Very high24 Ų2466.7 Ų66.715%0.14536%0.357CS..EExtended strand (participates in β ladder)trans-126.7125-175.8-1780000109.2F236 L244 G291 R292 I294F236-V289 HydrophobicContact CE1-CG1 4.15Å; F236-V289 HydrophobicContact CE2-CG1 4.08Å; F236-V289 HydrophobicContact CZ-CG1 3.43Å; F236-V289 VanDerWaalsContact CZ-CG1 3.43Å; L244-V289 HydrophobicContact CD1-CG2 4.49Å; L244-V289 HydrophobicContact CD2-CG2 4.21Å; V289-G291 PolarHBondContact O-N 3.29Å; V289-G291 VanDerWaalsContact O-N 3.13Å; V289-R292 PolarHBondContact N-O 2.9Å; V289-R292 PolarHBondContact O-N 2.9Å; V289-I294 HydrophobicContact CB-CG2 4.02Å; V289-I294 HydrophobicContact CG2-CD1 3.96Å; V289-I294 HydrophobicContact CG2-CG1 4.13Å; V289-I294 HydrophobicContact CG2-CG2 4.07Å
290E93.2Very high95.7Very high122 Ų12266.9 Ų66.957%0.5737%0.366SS*.THydrogen-bonded Turntrans43.639.2-167.9-56.7-164.3132.800113.7P233 F236 R292P233-E290 HydrophobicContact CB-CB 4.37Å; P233-E290 HydrophobicContact CB-CG 4.5Å; P233-E290 WeakPolarHBondContact CB-OE2 3.38Å; P233-E290 HydrophobicContact CG-CB 3.69Å; P233-E290 HydrophobicContact CG-CG 3.9Å; P233-E290 VanDerWaalsContact CG-OE2 3.28Å; P233-E290 WeakPolarHBondContact CG-OE2 3.49Å; F236-E290 HydrophobicContact CE2-CG 4.37Å; E290-R292 VanDerWaalsContact C-N 3.29Å; E290-R292 PolarHBondContact O-N 3.36Å
291G95.4Very high95.1Very high70 Ų7070 Ų7072%0.72239%0.392SS*.THydrogen-bonded Turntrans76.36.2-178.400000115.5V289V289-G291 PolarHBondContact O-N 3.29Å; V289-G291 VanDerWaalsContact O-N 3.13Å
292R96.3Very high94.5Very high75 Ų7571.9 Ų71.928%0.28340%0.399SS..EExtended strand (participates in β ladder)trans-107.1130.8174.2-58.5-175.9-178.9-159-7.8110.7N231 I232 V288 V289 E290 I294N231-R292 WeakPolarHBondContact O-CB 3.39Å; I232-R292 PolarHBondContact O-NH1 3.34Å; V288-R292 CarbonylContact C-O 3.55Å; V288-R292 WeakPolarHBondContact CA-O 3.22Å; V289-R292 PolarHBondContact N-O 2.9Å; V289-R292 PolarHBondContact O-N 2.9Å; E290-R292 VanDerWaalsContact C-N 3.29Å; E290-R292 PolarHBondContact O-N 3.36Å; R292-I294 PolarHBondContact O-N 3.47Å
293K97.1Very high93.6Very high118 Ų11870.4 Ų70.451%0.51340%0.4SS..EExtended strand (participates in β ladder)trans-72.5109.7171.5-174.4-177.7178.2-1730109.5N231 G286 T287 V288N231-K293 WeakPolarHBondContact CB-O 3.26Å; N231-K293 PolarHBondContact ND2-O 3.11Å; G286-K293 WeakPolarHBondContact O-CE 3.21Å; G286-K293 WeakPolarHBondContact O-CG 3.39Å; T287-K293 CarbonylContact O-C 3.57Å; T287-K293 VanDerWaalsContact O-CA 3.31Å; T287-K293 WeakPolarHBondContact O-CA 3.45Å; V288-K293 HydrophobicContact CG2-CB 4.42Å
294I97Very high92.2Very high0 Ų072.6 Ų72.60%041%0.409CS..  trans-80.7152.4177.463.8161.7000110.9S230 I232 L244 L284 G286 T287 V289 R292 I296S230-I294 WeakPolarHBondContact O-CA 3.47Å; I232-I294 HydrophobicContact CG2-CG2 3.98Å; L244-I294 HydrophobicContact CD2-CD1 3.86Å; L284-I294 HydrophobicContact CB-CD1 4.39Å; G286-I294 WeakPolarHBondContact CA-O 3.04Å; G286-I294 PolarHBondContact N-O 3Å; T287-I294 PolarHBondContact O-N 2.72Å; T287-I294 WeakPolarHBondContact OG1-CG1 3.23Å; V289-I294 HydrophobicContact CB-CG2 4.02Å; V289-I294 HydrophobicContact CG2-CD1 3.96Å; V289-I294 HydrophobicContact CG2-CG1 4.13Å; V289-I294 HydrophobicContact CG2-CG2 4.07Å; R292-I294 PolarHBondContact O-N 3.47Å; I294-I296 HydrophobicContact CD1-CD1 4.45Å
295E97.1Very high90.4Very high93 Ų9377.5 Ų77.544%0.43544%0.44SS..EExtended strand (participates in β ladder)trans-127.1134.8178.6-63.1-175.1163.800109.7V229 S230 N285V229-E295 WeakPolarHBondContact CA-O 3.34Å; S230-E295 PolarHBondContact N-O 3.04Å; S230-E295 PolarHBondContact O-N 3.49Å; N285-E295 WeakPolarHBondContact OD1-CA 3.42Å
296I97.3Very high88Confident1 Ų183.5 Ų83.51%0.00546%0.462CS..EExtended strand (participates in β ladder)trans-123.5121.3-179.3-51.9-166.6000109.7L227 H228 V229 L245 R281 L284 N285 I294L227-I296 HydrophobicContact CB-CG2 3.99Å; L227-I296 HydrophobicContact CD1-CG2 3.77Å; L227-I296 HydrophobicContact CG-CG2 4.32Å; H228-I296 WeakPolarHBondContact O-CA 3.49Å; V229-I296 HydrophobicContact CG1-CD1 4.42Å; V229-I296 HydrophobicContact CG1-CG1 4.25Å; V229-I296 HydrophobicContact CG2-CD1 4.36Å; V229-I296 HydrophobicContact CG2-CG1 4.42Å; V229-I296 HydrophobicContact CG2-CG2 4.48Å; L245-I296 HydrophobicContact CD2-CD1 4.07Å; R281-I296 HydrophobicContact CB-CG2 4.16Å; R281-I296 HydrophobicContact CG-CB 4.23Å; R281-I296 HydrophobicContact CG-CG2 4.03Å; R281-I296 WeakPolarHBondContact CG-O 3.34Å; L284-I296 HydrophobicContact CB-CD1 3.54Å; L284-I296 HydrophobicContact CD1-CD1 4.3Å; N285-I296 HydrophobicContact CB-CB 4.19Å; N285-I296 PolarHBondContact OD1-N 3.32Å; N285-I296 PolarHBondContact OD1-O 2.89Å; I294-I296 HydrophobicContact CD1-CD1 4.45Å
297N96.7Very high85.8Confident82 Ų8291.3 Ų91.344%0.43949%0.489SS..EExtended strand (participates in β ladder)trans-126.7161.1-178.4-77.3-78000110.9L227 H228L227-N297 CarbonylContact C-O 3.5Å; L227-N297 WeakPolarHBondContact CA-O 3.27Å; H228-N297 PolarHBondContact N-O 2.96Å; H228-N297 PolarHBondContact O-N 2.79Å
298N95.7Very high83.1Confident99 Ų9997.3 Ų97.353%0.52951%0.511SS..EExtended strand (participates in β ladder)trans-69.4136.4173.2-63.1-21.1000109.8R281R281-N298 PolarHBondContact NH1-ND2 2.97Å; R281-N298 PolarHBondContact NH1-OD1 3.29Å
299A94.9Very high80.3Confident23 Ų2397.6 Ų97.619%0.1952%0.517CS..  trans-111.9151.9178.200000111.8R226 H228 F268 A301R226-A299 HydrophobicContact CB-CB 4.24Å; R226-A299 HydrophobicContact CG-CB 4.07Å; R226-A299 WeakPolarHBondContact O-CA 3.47Å; R226-A299 WeakPolarHBondContact O-CB 3.19Å; R226-A299 PolarHBondContact O-N 3.43Å; H228-A299 HydrophobicContact CB-CB 3.99Å; F268-A299 HydrophobicContact CD1-CB 3.82Å; F268-A299 HydrophobicContact CE1-CB 4.12Å; A299-A301 PolarHBondContact O-N 3.3Å
300T90.1Very high77.8Confident117 Ų117103.6 Ų103.672%0.71854%0.544SS*.PPolyproline II helixtrans-63.7133.8166-400000109.5R226R226-T300 PolarHBondContact NH1-O 2.91Å
301A83.8Confident75.1Confident65 Ų65101 Ų10154%0.53754%0.539SS..PPolyproline II helixtrans-56.4149.8169.300000110.4A299 V303A299-A301 PolarHBondContact O-N 3.3Å; A301-V303 PolarHBondContact O-N 3.49Å
302R84Confident72.8Confident99 Ų99102.5 Ų102.537%0.37454%0.536SS..PPolyproline II helixtrans-61.3125.8174.2-67.7-155.4-162.8107.54108.8D253 E255 M304D253-R302 IonicContact OD1-NH2 3.8Å; D253-R302 IonicContact OD2-CZ 2.8Å; D253-R302 IonicContact OD2-NH1 3.77Å; D253-R302 PolarHBondContact OD2-NH1 3.37Å; D253-R302 IonicContact OD2-NH2 2.75Å; D253-R302 PolarHBondContact OD2-NH2 2.71Å; E255-R302 IonicContact OE2-CZ 2.65Å; E255-R302 IonicContact OE2-NE 2.8Å; E255-R302 PolarHBondContact OE2-NE 2.96Å; E255-R302 IonicContact OE2-NH2 2.73Å; E255-R302 PolarHBondContact OE2-NH2 3.09Å; R302-M304 PolarHBondContact O-N 2.95Å
303V76.2Confident70.1Confident124 Ų124103.9 Ų103.975%0.75255%0.553SS**  trans-72.880.2174-1760000108.7A301 T305A301-V303 PolarHBondContact O-N 3.49Å; V303-T305 HydrophobicContact CG1-CG2 4.38Å; V303-T305 PolarHBondContact O-N 3.22Å
304M66.2Low67.6Low145 Ų145105.4 Ų105.471%0.71457%0.566SS**  trans-71.684.9169.9-72.3-161.5172.300109.1R302 K306R302-M304 PolarHBondContact O-N 2.95Å; M304-K306 PolarHBondContact O-N 3.15Å
305T57.8Low65Low118 Ų118111.8 Ų111.872%0.72460%0.6SS**  trans-52.8114161.253.50000107.4V303 K307V303-T305 HydrophobicContact CG1-CG2 4.38Å; V303-T305 PolarHBondContact O-N 3.22Å; T305-K307 PolarHBondContact O-N 2.8Å
306K47.2Very low62.2Low204 Ų204114.5 Ų114.589%0.88761%0.61SS**  trans-6973.9177.7-69.3-171.6177.8-176.30110.5M304 K308M304-K306 PolarHBondContact O-N 3.15Å; K306-K308 PolarHBondContact O-N 2.97Å; K306-K308 VanDerWaalsContact O-N 3.15Å
307K49.3Very low59.8Low191 Ų191120.3 Ų120.383%0.8365%0.646SS**  trans-49.7120.7150.8176.7-173.7176.3-172.90104.6T305 S309T305-K307 PolarHBondContact O-N 2.8Å; K307-S309 PolarHBondContact O-N 3.02Å
308K39.4Very low57.2Low171 Ų171119.7 Ų119.774%0.74365%0.652SS**  trans-45.2104.4-175.6-98.1-177.8171-177.50109.6K306 E310K306-K308 PolarHBondContact O-N 2.97Å; K306-K308 VanDerWaalsContact O-N 3.15Å; K308-E310 PolarHBondContact O-N 3.12Å
309S38.2Very low54.9Low108 Ų108120 Ų12076%0.75566%0.657SS**  trans-63.1115.4162.149.50000105.2K307 S311K307-S309 PolarHBondContact O-N 3.02Å; S309-S311 PolarHBondContact O-N 2.87Å
310E41.8Very low52.6Low151 Ų151124.9 Ų124.971%0.70669%0.685SS**  trans-62.8112.2170.3-71.7-168.89800107K308 K316K308-E310 PolarHBondContact O-N 3.12Å; E310-K316 IonicContact OE1-NZ 2.87Å; E310-K316 PolarHBondContact OE1-NZ 3.44Å
311S36.4Very low50.6Low67 Ų67125.1 Ų125.147%0.46968%0.681SS.*  trans-58.5155.7160.565.80000108S309 T313S309-S311 PolarHBondContact O-N 2.87Å; S311-T313 PolarHBondContact O-N 2.88Å
312P45.6Very low48.6Very low102 Ų102133.7 Ų133.766%0.66270%0.7SS**SBendtrans-46.8139.8164.320.8-32.6000110.4L314P312-L314 PolarHBondContact O-N 3.19Å
313T40.1Very low46.3Very low104 Ų104132.1 Ų132.164%0.63871%0.714SS**SBendtrans-74.379-153.8-55.40000113.6S311 K316S311-T313 PolarHBondContact O-N 2.88Å; T313-K316 HydrophobicContact CG2-CD 4.2Å
314L45.2Very low44.9Very low149 Ų149130.9 Ų130.978%0.7870%0.703SS**  trans-135.3-6.6172.1-88.5-179.8000116.8P312P312-L314 PolarHBondContact O-N 3.19Å
315L41.9Very low43.7Very low135 Ų135135.4 Ų135.471%0.70771%0.712SS**  trans-117.465.5174.5-92.385.5000113.3
316K38.6Very low43Very low150 Ų150134.5 Ų134.565%0.65272%0.716SS**SBendtrans-100.43.9168.2-74.1177.6176170.20113.9E310 T313E310-K316 IonicContact OE1-NZ 2.87Å; E310-K316 PolarHBondContact OE1-NZ 3.44Å; T313-K316 HydrophobicContact CG2-CD 4.2Å
317T45.9Very low42.6Very low123 Ų123132.3 Ų132.376%0.75571%0.713SS**SBendtrans-97.8-14.9-178.7-360000114.5
318A43.9Very low42.3Very low69 Ų69128.6 Ų128.657%0.5771%0.706SS**SBendtrans-107.856.6-166.500000114.4
319T46.6Very low42.6Very low104 Ų104124.9 Ų124.964%0.63870%0.7SS**SBendtrans-145.6-26.5173.2-58.50000115.2L321T319-L321 PolarHBondContact O-N 3Å
320T45.7Very low42.9Very low126 Ų126125.8 Ų125.877%0.77371%0.706SS**G310 helixtrans-67-12.6178.125.70000114.8R322T320-R322 VanDerWaalsContact C-N 3.35Å; T320-R322 PolarHBondContact O-N 3.27Å
321L48.4Very low43Very low123 Ų123123.5 Ų123.564%0.64470%0.703SS**G310 helixtrans-77.8-5.2-174.5-101.7136.2000115.9T319 G323 I324T319-L321 PolarHBondContact O-N 3Å; L321-G323 VanDerWaalsContact C-N 3.26Å; L321-G323 PolarHBondContact O-N 2.99Å; L321-I324 HydrophobicContact CD2-CD1 3.68Å; L321-I324 HydrophobicContact CD2-CG1 3.94Å; L321-I324 HydrophobicContact CG-CD1 4.09Å; L321-I324 HydrophobicContact CG-CG1 4.42Å
322R42.1Very low43.3Very low245 Ų245126 Ų12693%0.92572%0.72SS**G310 helixtrans-75.1-11.4-179.5-133.9-179-158.391.8-0.1114.3T320T320-R322 VanDerWaalsContact C-N 3.35Å; T320-R322 PolarHBondContact O-N 3.27Å
323G36.5Very low43.2Very low66 Ų66124.8 Ų124.868%0.6871%0.714SS**G310 helixtrans-96.6-13.1179.800000115.9L321L321-G323 VanDerWaalsContact C-N 3.26Å; L321-G323 PolarHBondContact O-N 2.99Å
324I47.2Very low43.5Very low98 Ų98125.8 Ų125.850%0.50372%0.72SS.*  trans-104.719.7-16768.3173000115.3L321 A326 L327L321-I324 HydrophobicContact CD2-CD1 3.68Å; L321-I324 HydrophobicContact CD2-CG1 3.94Å; L321-I324 HydrophobicContact CG-CD1 4.09Å; L321-I324 HydrophobicContact CG-CG1 4.42Å; I324-A326 PolarHBondContact O-N 3.35Å; I324-L327 PolarHBondContact O-N 3.43Å
325R40.9Very low43.4Very low239 Ų239122.6 Ų122.690%0.90272%0.715SS**THydrogen-bonded Turntrans-68.2-2.7173-154.3171.7-168.7-171.43.6113.6
326A41.3Very low43.3Very low100 Ų100118.8 Ų118.883%0.82670%0.703SS**THydrogen-bonded Turntrans-87.5-3174.600000114.7I324I324-A326 PolarHBondContact O-N 3.35Å
327L40.2Very low43.5Very low157 Ų157117.9 Ų117.982%0.82270%0.704SS**SBendtrans-127.716.9-173.9-146.577.2000115.3I324 P329I324-L327 PolarHBondContact O-N 3.43Å; L327-P329 WeakPolarHBondContact O-CD 3.39Å
328V43.5Very low43.2Very low113 Ų113115.1 Ų115.169%0.68569%0.694SS**SBendtrans-95110.4168.2-179.50000108.1
329P45.3Very low43Very low94 Ų94114.9 Ų114.961%0.6169%0.692SS**  trans-64.9139.917827.7-34.1000110.2L327 T331L327-P329 WeakPolarHBondContact O-CD 3.39Å; P329-T331 HydrophobicContact CB-CG2 4.44Å; P329-T331 PolarHBondContact O-N 3.47Å
330S43Very low42.5Very low127 Ų127113.2 Ų113.289%0.88869%0.689SS**  trans-78.667.4-177.6-64.70000111.8S332S330-S332 PolarHBondContact O-N 3.32Å
331T45.2Very low42.2Very low102 Ų102110.3 Ų110.363%0.62668%0.678SS**  trans-82100177.253.40000110.3P329 S333P329-T331 HydrophobicContact CB-CG2 4.44Å; P329-T331 PolarHBondContact O-N 3.47Å; T331-S333 PolarHBondContact O-N 2.89Å
332S43.2Very low41.8Very low120 Ų120107.4 Ų107.484%0.83967%0.672SS**  trans-75.141.8-172.457.20000114.7S330S330-S332 PolarHBondContact O-N 3.32Å
333S42.4Very low41.8Very low76 Ų7699.3 Ų99.353%0.53166%0.657SS.*  trans-114.198.2-173.9-590000111.2T331 A335 A336T331-S333 PolarHBondContact O-N 2.89Å; S333-A335 PolarHBondContact O-N 3.49Å; S333-A336 PolarHBondContact O-N 2.88Å
334T47Very low42.1Very low125 Ų125102.9 Ų102.977%0.76766%0.66SS**Hα-helixtrans-48.8-30.5-174.3-47.60000114.8A336T334-A336 VanDerWaalsContact C-N 3.35Å; T334-A336 PolarHBondContact O-N 2.91Å
335A42.6Very low41.7Very low82 Ų82108.7 Ų108.768%0.67868%0.675SS**Hα-helixtrans-62.8-33.317800000114.2S333 I337 A338 A339S333-A335 PolarHBondContact O-N 3.49Å; A335-I337 VanDerWaalsContact C-N 3.32Å; A335-I337 PolarHBondContact O-N 2.97Å; A335-A338 PolarHBondContact O-N 3.26Å; A335-A339 PolarHBondContact O-N 2.9Å
336A39.9Very low41.6Very low55 Ų55101 Ų10146%0.45567%0.67SS.*Hα-helixtrans-68.5-31.7-175.700000112.8S333 T334 A338 A339 A340S333-A336 PolarHBondContact O-N 2.88Å; T334-A336 VanDerWaalsContact C-N 3.35Å; T334-A336 PolarHBondContact O-N 2.91Å; A336-A338 VanDerWaalsContact C-N 3.34Å; A336-A338 PolarHBondContact O-N 3.37Å; A336-A339 PolarHBondContact O-N 3.25Å; A336-A340 PolarHBondContact O-N 3.35Å
337I42.1Very low41.4Very low131 Ų131100 Ų10067%0.67266%0.662SS**Hα-helixtrans-68.6-35.8-178.9-56.8175.6000110.6A335 A341A335-I337 VanDerWaalsContact C-N 3.32Å; A335-I337 PolarHBondContact O-N 2.97Å; I337-A341 PolarHBondContact O-N 3.48Å
338A39.6Very low41.1Very low66 Ų6696.8 Ų96.855%0.54566%0.658SS.*Hα-helixtrans-68.7-38.6175.700000112.6A335 A336 A341 A342A335-A338 PolarHBondContact O-N 3.26Å; A336-A338 VanDerWaalsContact C-N 3.34Å; A336-A338 PolarHBondContact O-N 3.37Å; A338-A341 PolarHBondContact O-N 2.98Å; A338-A342 PolarHBondContact O-N 3.47Å
339A40.5Very low40.6Very low64 Ų6495 Ų9553%0.52966%0.662SS.*Hα-helixtrans-64.4-41.1177.300000112.3A335 A336 A341 A342 A343A335-A339 PolarHBondContact O-N 2.9Å; A336-A339 PolarHBondContact O-N 3.25Å; A339-A341 VanDerWaalsContact C-N 3.3Å; A339-A341 PolarHBondContact O-N 3.36Å; A339-A342 PolarHBondContact O-N 3.32Å; A339-A343 PolarHBondContact O-N 3.37Å; A339-A343 VanDerWaalsContact O-N 3.11Å
340A37.1Very low40.4Very low69 Ų6997.3 Ų97.357%0.5767%0.668SS**Hα-helixtrans-62.3-35.4175.500000112.8A336A336-A340 PolarHBondContact O-N 3.35Å
341A37.6Very low40Very low65 Ų6597.9 Ų97.954%0.53767%0.666SS.*Hα-helixtrans-70.7-30175.700000113.2I337 A338 A339I337-A341 PolarHBondContact O-N 3.48Å; A338-A341 PolarHBondContact O-N 2.98Å; A339-A341 VanDerWaalsContact C-N 3.3Å; A339-A341 PolarHBondContact O-N 3.36Å
342A40.5Very low39.4Very low62 Ų6298.6 Ų98.651%0.51267%0.674SS.*Hα-helixtrans-72.7-41.4174.600000112.1A338 A339 L344 R345A338-A342 PolarHBondContact O-N 3.47Å; A339-A342 PolarHBondContact O-N 3.32Å; A342-L344 PolarHBondContact O-N 2.92Å; A342-R345 PolarHBondContact O-N 3.47Å
343A41.8Very low38.8Very low75 Ų7596.5 Ų96.562%0.6267%0.672SS**Hα-helixtrans-58.2-31-179.500000113.5A339 R345A339-A343 PolarHBondContact O-N 3.37Å; A339-A343 VanDerWaalsContact O-N 3.11Å; A343-R345 VanDerWaalsContact C-N 3.34Å; A343-R345 PolarHBondContact O-N 3.06Å
344L43.9Very low38.5Very low140 Ų140100.9 Ų100.973%0.73369%0.688SS**G310 helixtrans-76.3-17.7179.3-156.968000113.8A342A342-L344 PolarHBondContact O-N 2.92Å
345R39.3Very low37.8Very low221 Ų221101.1 Ų101.183%0.83469%0.692SS**G310 helixtrans-77.6-18176.6-74.6-177174153.6-1.1113.8A342 A343A342-R345 PolarHBondContact O-N 3.47Å; A343-R345 VanDerWaalsContact C-N 3.34Å; A343-R345 PolarHBondContact O-N 3.06Å
346G37.1Very low37.6Very low77 Ų77103.8 Ų103.879%0.79470%0.699SS**G310 helixtrans-81.6-7.7179.200000115.3
347A36.8Very low37.5Very low79 Ų79107.1 Ų107.165%0.65371%0.714SS**  trans-105.5-2.1-168.400000115.1G349A347-G349 PolarHBondContact O-N 3.28Å
348A35.4Very low36.9Very low90 Ų90106 Ų10674%0.74472%0.717SS**  trans-83.846.2-174.500000113.7I350A348-I350 PolarHBondContact O-N 3.43Å; A348-I350 VanDerWaalsContact O-N 3.16Å
349G32Very low37.1Very low74 Ų74111 Ų11176%0.76373%0.732SS**  trans-82.978.617800000112.8A347A347-G349 PolarHBondContact O-N 3.28Å
350I42.3Very low37Very low143 Ų143113.4 Ų113.473%0.73374%0.742SS**  trans-132.2102.4170-51.3-178.5000108.8A348A348-I350 PolarHBondContact O-N 3.43Å; A348-I350 VanDerWaalsContact O-N 3.16Å
351T33.1Very low37Very low140 Ų140116.2 Ų116.286%0.85975%0.752SS**  trans-93.8129.7-17842.80000111.4
352C33.9Very low37.2Very low117 Ų117118.7 Ų118.779%0.79176%0.763SS**  trans-138.885.4179.6-62.70000111.7
353G30Very low36.9Very low76 Ų76120 Ų12078%0.78477%0.768SS**  trans54.985.2152.300000120.1
354L35.2Very low36.5Very low168 Ų168123.8 Ų123.888%0.8878%0.778SS**  trans-136.9142.2143.2-77.3-179.6000109.3V356L354-V356 PolarHBondContact O-N 3.25Å
355P33.6Very low36.1Very low130 Ų130124.8 Ų124.884%0.84478%0.783SS**  trans-79.1106.1-175.830.8-33.6000111.4
356V38.2Very low35.6Very low137 Ų137118.3 Ų118.383%0.8378%0.777SS**PPolyproline II helixtrans-86.2131.5166.370.80000109.7L354 S358L354-V356 PolarHBondContact O-N 3.25Å; V356-S358 PolarHBondContact O-N 3.03Å
357V38Very low35.3Very low126 Ų126119.1 Ų119.176%0.76477%0.77SS**PPolyproline II helixtrans-74.9124.3-179.2176.90000109.9
358S30.1Very low35Very low107 Ų107123.4 Ų123.475%0.74878%0.779SS**PPolyproline II helixtrans-64.5130.5176.5-57.60000112.3V356V356-S358 PolarHBondContact O-N 3.03Å
359M43Very low34.8Very low171 Ų171124.9 Ų124.984%0.84278%0.779SS**  trans-133.6143.7156.5-80.6-64.816100109.7
360P37.9Very low34.8Very low115 Ų115125.8 Ų125.875%0.74777%0.769SS**  trans-90.9154.3-16034.9-37.1000115.2
361T36.6Very low34.4Very low127 Ų127121.9 Ų121.978%0.77976%0.764SS**  trans-72.8148.6165.250.50000112.3
362P42.1Very low34.5Very low117 Ų117119.1 Ų119.176%0.7675%0.751SS**  -128.2130.211234.3-27.1000111
363S35.5Very low34.5Very low89 Ų89116.4 Ų116.462%0.62274%0.742SS**  94.9117.359.8-69.10000112.5
364N32.9Very low34.6Very low155 Ų155120.9 Ų120.983%0.82975%0.748SS**  trans69.8150.7169.3-57.4-38.9000116.1
365L34.2Very low34.4Very low161 Ų161116.3 Ų116.384%0.84374%0.741SS**  cis-145.5175.83.5-131160.6000110.1
366A30Very low34.2Very low85 Ų85113.5 Ų113.570%0.70274%0.736SS**  trans-73.2177.6176.100000111.8
367S31.1Very low33.8Very low94 Ų94114.8 Ų114.866%0.65774%0.737SS**  cis-169.8159.721.3-159.10000112
368M29.5Very low33.4Very low169 Ų169115.5 Ų115.583%0.83374%0.736SS**  trans63.2164.7154.7-71158.765.700117.1
369V31.4Very low33.4Very low122 Ų122117.6 Ų117.674%0.73973%0.734SS**  cis-143.1163.1-4.7100.20000112.8
370V31.5Very low32.7Very low92 Ų92115 Ų11556%0.55872%0.723SS**  trans-53.4153179.3-168.90000117.7A688V370-A688 HydrophobicContact CB-CB 4.1Å; V370-A688 HydrophobicContact CG1-CB 3.75Å; V370-A688 HydrophobicContact CG2-CB 3.27Å
371G33.8Very low32.2Very low62 Ų62117.7 Ų117.764%0.63973%0.726SS**  trans127.5120.5161.600000112.5
372S36.6Very low31.7Very low82 Ų82115.7 Ų115.757%0.57372%0.722SS**  57.7122.550.8-59.10000113.4A686S372-A686 WeakPolarHBondContact OG-CB 3.16Å
373G33.3Very low30.9Very low60 Ų60115 Ų11562%0.61972%0.719SS**  cis174.9-172.3-1.200000111.2
374L32Very low30.5Very low170 Ų170119.3 Ų119.389%0.8973%0.727SS**  trans64.8157.9-176.9-63.5104.4000115.6M682L374-M682 HydrophobicContact CD2-SD 4.3Å
375G31Very low30.2Very low71 Ų71116.6 Ų116.673%0.73273%0.726SS**  cis162.371.8-9.600000115.4
376G29.2Very low30Very low72 Ų72113.2 Ų113.274%0.74272%0.721SS**  trans82.9143.3163.300000117
377L30.5Very low30.1Very low164 Ų164115 Ų11586%0.85972%0.724SS**  -177.4139.8125.8-97.2165.7000111
378L29.1Very low30.3Very low141 Ų141117.4 Ų117.474%0.73873%0.729SS**  trans53.5129.5144.4-80.9171.5000123.4
379Q30.2Very low30.5Very low150 Ų150114.8 Ų114.870%0.70173%0.725SS**  79.5135129.9-147.576.2-9.200120.8
380N28.1Very low30.6Very low117 Ų117116.1 Ų116.163%0.62673%0.733SS**  trans61118.9157.6-79.55.4000118.3
381Q27.4Very low30.3Very low172 Ų172118.8 Ų118.880%0.80474%0.744SS**  78.3139.372.1-77.7-169.7-18.900114.5
382A25.9Very low30Very low85 Ų85121 Ų12170%0.70275%0.745SS**  trans73.595.415400000120.4
383C25.2Very low29.6Very low102 Ų102124 Ų12469%0.68976%0.755SS**  80172.6122.4-152.30000119.1
384F26.8Very low29.3Very low179 Ų179128.9 Ų128.979%0.78577%0.765SS**  trans63.283174.3-47.9-69.1000114.1
385A27.2Very low29.1Very low99 Ų99124.8 Ų124.882%0.81876%0.756SS**  cis69.2107.843.700000114.8
386A30Very low28.8Very low90 Ų90126.1 Ų126.174%0.74476%0.76SS**  trans-159.2133.3156.600000110.3
387T33.3Very low28.7Very low123 Ų123130.4 Ų130.476%0.75576%0.763SS**  trans42.5125.815458.40000120
388N34.2Very low28.4Very low144 Ų144128.1 Ų128.177%0.7776%0.758SS**  cis-150.1154.810.6-95.7-26.8000112.2
389P34.1Very low28.3Very low114 Ų114127 Ų12774%0.7477%0.768SS**  trans-89.9128.7-179.634.3-32.2000113
390T33.3Very low28.1Very low149 Ų149122.8 Ų122.891%0.91477%0.765SS**  trans-130.178.8156.234.60000108.8
391L25.9Very low28Very low149 Ų149124.1 Ų124.178%0.7877%0.772SS**  trans-71158175.5-156.286.5000110.3
392T27Very low28Very low109 Ų109122.4 Ų122.467%0.66977%0.774SS**  trans49.190.7158.744.40000117.4
393N27.6Very low28.1Very low145 Ų145126.3 Ų126.378%0.77578%0.775SS**  172.778.2120.1-86.5-7.2000113.3
394I28.2Very low28.5Very low161 Ų161125.6 Ų125.683%0.82676%0.764SS**  trans-135.147.6144.5-41.2178.2000109.3
395A26.3Very low28.9Very low85 Ų85120.4 Ų120.470%0.70276%0.755SS**SBendtrans-95.5142.3142.200000106
396A24.7Very low29.3Very low99 Ų99121 Ų12182%0.81874%0.744SS**  trans63.381.6-168.100000115.4
397M26.7Very low29.6Very low162 Ų162121.5 Ų121.580%0.79873%0.731SS**  trans-130145.9139.2-88.7-68.4164.200107.2
398P25.1Very low29.7Very low116 Ų116118.5 Ų118.575%0.75372%0.719SS**  trans-70.7146.5-166.727.8-34.7000112.8G400P398-G400 PolarHBondContact O-N 3.29Å; P398-G400 VanDerWaalsContact O-N 3.15Å
399A27.9Very low29.7Very low116 Ų116116.9 Ų116.996%0.95971%0.71SS**SBendtrans-66.7111172.900000110.1
400G25.3Very low29.9Very low62 Ų62116.6 Ų116.664%0.63970%0.701SS**  trans-164.8166.8-179.900000111.6P398P398-G400 PolarHBondContact O-N 3.29Å; P398-G400 VanDerWaalsContact O-N 3.15Å
401N26.6Very low29.9Very low146 Ų146112.2 Ų112.278%0.78168%0.68SS**SBendtrans64.883.4176.7-60.70.7000116.6F403N401-F403 PolarHBondContact O-N 3.29Å
402T26.7Very low30.3Very low135 Ų135108 Ų10883%0.82867%0.667SS**  46.972.6120.3-41.20000117.5N404T402-N404 PolarHBondContact O-N 2.75Å; T402-N404 VanDerWaalsContact O-N 3.1Å
403F28.4Very low30.5Very low167 Ų167105.2 Ų105.273%0.73266%0.655SS**  trans-71.9101.1161.9-84.3-84.9000110.8N401 Q407N401-F403 PolarHBondContact O-N 3.29Å; F403-Q407 HydrophobicContact CD1-CB 4.1Å
404N33.3Very low30.9Very low87 Ų87102.8 Ų102.847%0.46565%0.645SS.*  trans-56.6142169.4-176.3-36.3000110.1T402 N406 Q407 A408T402-N404 PolarHBondContact O-N 2.75Å; T402-N404 VanDerWaalsContact O-N 3.1Å; N404-N406 PolarHBondContact O-N 3.48Å; N404-N406 VanDerWaalsContact O-N 3.07Å; N404-N406 WeakPolarHBondContact OD1-CB 3.38Å; N404-N406 PolarHBondContact OD1-N 3.29Å; N404-Q407 WeakPolarHBondContact O-CA 3.29Å; N404-Q407 WeakPolarHBondContact O-CB 3.49Å; N404-Q407 PolarHBondContact O-N 3.24Å; N404-A408 PolarHBondContact O-N 2.95Å
405A34.7Very low31.1Very low70 Ų7098 Ų9858%0.57963%0.63SS**Hα-helixtrans-54.2-29.617600000113.1Q407 A408 L409A405-Q407 VanDerWaalsContact C-N 3.31Å; A405-Q407 PolarHBondContact O-N 3.19Å; A405-A408 WeakPolarHBondContact O-CB 3.45Å; A405-A408 PolarHBondContact O-N 3.11Å; A405-A408 VanDerWaalsContact O-N 3.15Å; A405-L409 PolarHBondContact O-N 3.32Å
406N36Very low31.3Very low113 Ų11398.9 Ų98.960%0.60463%0.631SS**Hα-helixtrans-66.7-29.9173.5-62.1-18.8000112.6N404 L410N404-N406 PolarHBondContact O-N 3.48Å; N404-N406 VanDerWaalsContact O-N 3.07Å; N404-N406 WeakPolarHBondContact OD1-CB 3.38Å; N404-N406 PolarHBondContact OD1-N 3.29Å; N406-L410 WeakPolarHBondContact O-CB 3.47Å; N406-L410 PolarHBondContact O-N 2.75Å
407Q36.3Very low31.6Very low100 Ų10098.1 Ų98.147%0.46763%0.625SS.*Hα-helixtrans-78.8-26.7169.3-79-164.12.100113.1F403 N404 A405 L409 L410 A411F403-Q407 HydrophobicContact CD1-CB 4.1Å; N404-Q407 WeakPolarHBondContact O-CA 3.29Å; N404-Q407 WeakPolarHBondContact O-CB 3.49Å; N404-Q407 PolarHBondContact O-N 3.24Å; A405-Q407 VanDerWaalsContact C-N 3.31Å; A405-Q407 PolarHBondContact O-N 3.19Å; Q407-L409 VanDerWaalsContact C-N 3.34Å; Q407-L410 PolarHBondContact O-N 2.82Å; Q407-A411 WeakPolarHBondContact O-CB 3.42Å; Q407-A411 PolarHBondContact O-N 3.11Å
408A35Very low31.6Very low60 Ų6093.7 Ų93.750%0.49661%0.609SS.*Hα-helixtrans-65.8-40168.900000111.1N404 A405 A412N404-A408 PolarHBondContact O-N 2.95Å; A405-A408 WeakPolarHBondContact O-CB 3.45Å; A405-A408 PolarHBondContact O-N 3.11Å; A405-A408 VanDerWaalsContact O-N 3.15Å; A408-A412 WeakPolarHBondContact O-CB 3.37Å; A408-A412 PolarHBondContact O-N 3.03Å
409L34.9Very low31.9Very low110 Ų11092.3 Ų92.358%0.57662%0.616SS**Hα-helixtrans-64.1-41.7170.1-82161.5000112.6A405 Q407 A412 A413A405-L409 PolarHBondContact O-N 3.32Å; Q407-L409 VanDerWaalsContact C-N 3.34Å; L409-A412 PolarHBondContact O-N 3.27Å; L409-A413 WeakPolarHBondContact O-CB 3.46Å; L409-A413 PolarHBondContact O-N 2.88Å
410L38.6Very low32.1Very low107 Ų10791.5 Ų91.556%0.5660%0.599SS**Hα-helixtrans-68.6-39.3176.7-170.762.5000112.2N406 Q407 A413 V414N406-L410 WeakPolarHBondContact O-CB 3.47Å; N406-L410 PolarHBondContact O-N 2.75Å; Q407-L410 PolarHBondContact O-N 2.82Å; L410-A413 PolarHBondContact O-N 3.31Å; L410-V414 WeakPolarHBondContact O-CB 3.09Å; L410-V414 VanDerWaalsContact O-CG2 3.3Å; L410-V414 WeakPolarHBondContact O-CG2 3.5Å; L410-V414 PolarHBondContact O-N 3.36Å
411A32.6Very low32.3Very low58 Ų5895 Ų9548%0.47961%0.611SS.*Hα-helixtrans-67.4-37.7175.300000111.5Q407 V414 A415Q407-A411 WeakPolarHBondContact O-CB 3.42Å; Q407-A411 PolarHBondContact O-N 3.11Å; A411-V414 PolarHBondContact O-N 2.97Å; A411-A415 WeakPolarHBondContact O-CB 3.34Å; A411-A415 PolarHBondContact O-N 3.4Å
412A34Very low32.6Very low60 Ų6094 Ų9450%0.49661%0.61SS.*Hα-helixtrans-65.5-39.1170.500000112.1A408 L409 S416A408-A412 WeakPolarHBondContact O-CB 3.37Å; A408-A412 PolarHBondContact O-N 3.03Å; L409-A412 PolarHBondContact O-N 3.27Å; A412-S416 PolarHBondContact O-N 2.81Å
413A31.9Very low33.1Very low51 Ų5195.2 Ų95.242%0.42161%0.611SS.*Hα-helixtrans-65.6-42.1174.600000112.2L409 L410 S416 A417L409-A413 WeakPolarHBondContact O-CB 3.46Å; L409-A413 PolarHBondContact O-N 2.88Å; L410-A413 PolarHBondContact O-N 3.31Å; A413-S416 CarbonylContact O-C 3.6Å; A413-S416 PolarHBondContact O-N 2.93Å; A413-S416 PolarHBondContact O-OG 2.87Å; A413-A417 PolarHBondContact O-N 2.84Å
414V34.9Very low33.2Very low93 Ų9396.7 Ų96.756%0.56461%0.614SS**Hα-helixtrans-70.5-37.1176.3170.90000111.7L410 A411 S416 A417 S418L410-V414 WeakPolarHBondContact O-CB 3.09Å; L410-V414 VanDerWaalsContact O-CG2 3.3Å; L410-V414 WeakPolarHBondContact O-CG2 3.5Å; L410-V414 PolarHBondContact O-N 3.36Å; A411-V414 PolarHBondContact O-N 2.97Å; V414-S416 PolarHBondContact O-N 2.92Å; V414-A417 WeakPolarHBondContact O-CA 3.34Å; V414-A417 WeakPolarHBondContact O-CB 3.34Å; V414-A417 PolarHBondContact O-N 3.49Å; V414-S418 PolarHBondContact O-N 3.43Å; V414-S418 VanDerWaalsContact O-N 3.12Å
415A34.4Very low33.6Very low62 Ų6297.5 Ų97.551%0.51262%0.618SS.*Hα-helixtrans-65.2-26.2170.400000112.6A411 A417 S418A411-A415 WeakPolarHBondContact O-CB 3.34Å; A411-A415 PolarHBondContact O-N 3.4Å; A415-A417 VanDerWaalsContact C-N 3.28Å; A415-S418 PolarHBondContact O-OG 2.99Å
416S29.8Very low33.8Very low103 Ų10398 Ų9872%0.7262%0.615SS**THydrogen-bonded Turntrans-80.2-4.7168.976.40000114.3A412 A413 V414A412-S416 PolarHBondContact O-N 2.81Å; A413-S416 CarbonylContact O-C 3.6Å; A413-S416 PolarHBondContact O-N 2.93Å; A413-S416 PolarHBondContact O-OG 2.87Å; V414-S416 PolarHBondContact O-N 2.92Å
417A30.4Very low33.6Very low83 Ų8395.3 Ų95.369%0.68661%0.609SS**THydrogen-bonded Turntrans-101.6-19.3173.400000113.2A413 V414 A415 G419A413-A417 PolarHBondContact O-N 2.84Å; V414-A417 WeakPolarHBondContact O-CA 3.34Å; V414-A417 WeakPolarHBondContact O-CB 3.34Å; V414-A417 PolarHBondContact O-N 3.49Å; A415-A417 VanDerWaalsContact C-N 3.28Å; A417-G419 PolarHBondContact O-N 3.43Å
418S27.5Very low33.5Very low68 Ų6893.4 Ų93.448%0.47661%0.61SS.*SBendtrans-73107.9169.2500000110.8V414 A415 T420V414-S418 PolarHBondContact O-N 3.43Å; V414-S418 VanDerWaalsContact O-N 3.12Å; A415-S418 PolarHBondContact O-OG 2.99Å; S418-T420 VanDerWaalsContact C-N 3.27Å; S418-T420 PolarHBondContact O-N 3.46Å
419G30.7Very low33.5Very low87 Ų8792.9 Ų92.990%0.89761%0.605SS**  trans-74.259-172.300000115.9A417A417-G419 PolarHBondContact O-N 3.43Å
420T31.6Very low33.5Very low99 Ų9990.2 Ų90.261%0.60760%0.6SS**  trans-115.4139172.8540000111.5S418 V422S418-T420 VanDerWaalsContact C-N 3.27Å; S418-T420 PolarHBondContact O-N 3.46Å; T420-V422 PolarHBondContact O-N 3Å
421P29.5Very low33.3Very low135 Ų13587.9 Ų87.988%0.87760%0.595SS**  trans-80.7109.2-175.930.8-33.3000111.2
422V33Very low33.6Very low127 Ų12793.3 Ų93.377%0.7761%0.608SS**  trans-118.7144.6176.3-168.50000110.5T420T420-V422 PolarHBondContact O-N 3Å
423N37.1Very low33.9Very low160 Ų16095.7 Ų95.786%0.85662%0.621SS**  trans-65.1136-162.3-161.8-5.1000113.9N425N423-N425 PolarHBondContact O-N 3.29Å
424Y31.9Very low34.1Very low198 Ų19899.3 Ų99.378%0.77663%0.632SS**  trans-85.2102.2-167.7-161.1-87.1000111.9P426Y424-P426 VanDerWaalsContact O-CD 3.27Å; Y424-P426 WeakPolarHBondContact O-CD 3.16Å
425N41.1Very low34.2Very low103 Ų10398 Ų9855%0.55163%0.631SS**  trans-89.4108.7-179.4-175.5-7000112.4N423 A427 A428N423-N425 PolarHBondContact O-N 3.29Å; N425-A427 VanDerWaalsContact C-N 3.26Å; N425-A427 PolarHBondContact O-N 3.19Å; N425-A427 WeakPolarHBondContact OD1-CB 3.48Å; N425-A427 PolarHBondContact OD1-N 2.83Å; N425-A428 PolarHBondContact O-N 2.61Å
426P38.5Very low34.3Very low81 Ų8199.2 Ų99.253%0.52665%0.65SS.*Hα-helixtrans-69.4-18.3-178.929.5-36000114.1Y424 A429 A430Y424-P426 VanDerWaalsContact O-CD 3.27Å; Y424-P426 WeakPolarHBondContact O-CD 3.16Å; P426-A429 PolarHBondContact O-N 2.93Å; P426-A430 PolarHBondContact O-N 3.27Å; P426-A430 VanDerWaalsContact O-N 3.16Å
427A32.1Very low34.5Very low57 Ų5797.6 Ų97.647%0.47164%0.642SS.*Hα-helixtrans-69.7-33.917800000112.3N425 A430 A431N425-A427 VanDerWaalsContact C-N 3.26Å; N425-A427 PolarHBondContact O-N 3.19Å; N425-A427 WeakPolarHBondContact OD1-CB 3.48Å; N425-A427 PolarHBondContact OD1-N 2.83Å; A427-A430 PolarHBondContact O-N 3.46Å; A427-A431 PolarHBondContact O-N 3.02Å; A427-A431 VanDerWaalsContact O-N 3.09Å
428A34.8Very low34.8Very low60 Ų6096.9 Ų96.950%0.49663%0.627SS.*Hα-helixtrans-66-38.6176.300000111.9N425 A431 F432N425-A428 PolarHBondContact O-N 2.61Å; A428-A431 PolarHBondContact O-N 3.49Å; A428-F432 PolarHBondContact O-N 2.77Å
429A35.1Very low36Very low48 Ų4898.5 Ų98.540%0.39764%0.636SS.*Hα-helixtrans-66.3-39.417400000112.1P426 A431 F432 C433P426-A429 PolarHBondContact O-N 2.93Å; A429-A431 PolarHBondContact O-N 3.44Å; A429-F432 PolarHBondContact O-N 3.36Å; A429-C433 PolarHBondContact O-N 3.3Å; A429-C433 VanDerWaalsContact O-N 3.13Å; A429-C433 PolarHBondContact O-SG 3.35Å
430A33.1Very low36.7Very low55 Ų5599.4 Ų99.446%0.45562%0.62SS.*Hα-helixtrans-63.3-39.9176.800000112.6P426 A427 C433 L434P426-A430 PolarHBondContact O-N 3.27Å; P426-A430 VanDerWaalsContact O-N 3.16Å; A427-A430 PolarHBondContact O-N 3.46Å; A430-C433 PolarHBondContact O-N 3.4Å; A430-L434 PolarHBondContact O-N 3.41Å
431A35.7Very low37.4Very low57 Ų5798.6 Ų98.647%0.47162%0.615SS.*Hα-helixtrans-60.9-44.3173.200000111.7A427 A428 A429 C433 L434 A435A427-A431 PolarHBondContact O-N 3.02Å; A427-A431 VanDerWaalsContact O-N 3.09Å; A428-A431 PolarHBondContact O-N 3.49Å; A429-A431 PolarHBondContact O-N 3.44Å; A431-C433 VanDerWaalsContact C-N 3.27Å; A431-C433 PolarHBondContact O-N 3.1Å; A431-L434 PolarHBondContact O-N 3.49Å; A431-A435 PolarHBondContact O-N 3.38Å
432F38Very low38Very low172 Ų17294.5 Ų94.575%0.75459%0.593SS**Hα-helixtrans-61-33.6177.9-127.9-85.7000113.2A428 A429A428-F432 PolarHBondContact O-N 2.77Å; A429-F432 PolarHBondContact O-N 3.36Å
433C40.8Very low38.6Very low111 Ų11191.3 Ų91.375%0.7558%0.58SS**Hα-helixtrans-80.6-13.7178.7-67.70000114.9A429 A430 A431A429-C433 PolarHBondContact O-N 3.3Å; A429-C433 VanDerWaalsContact O-N 3.13Å; A429-C433 PolarHBondContact O-SG 3.35Å; A430-C433 PolarHBondContact O-N 3.4Å; A431-C433 VanDerWaalsContact C-N 3.27Å; A431-C433 PolarHBondContact O-N 3.1Å
434L36.9Very low39.3Very low127 Ų12788.6 Ų88.667%0.66556%0.564SS**Hα-helixtrans-106.5-7.8173.4-90.381.4000114A430 A431 G436 A437A430-L434 PolarHBondContact O-N 3.41Å; A431-L434 PolarHBondContact O-N 3.49Å; L434-G436 PolarHBondContact O-N 3.4Å; L434-A437 PolarHBondContact O-N 3.13Å
435A36.2Very low39.8Very low66 Ų6684.6 Ų84.655%0.54556%0.556SS.*THydrogen-bonded Turntrans-59.2-4.7-177.900000116A431 A437A431-A435 PolarHBondContact O-N 3.38Å; A435-A437 PolarHBondContact O-N 3.37Å
436G36.6Very low39.9Very low87 Ų8782.6 Ų82.690%0.89755%0.554SS**THydrogen-bonded Turntrans-75.8-0.2168.700000114.9L434L434-G436 PolarHBondContact O-N 3.4Å
437A33.2Very low40.3Very low68 Ų6882 Ų8256%0.56255%0.551SS**SBendtrans-128.386.5-17800000112.1L434 A435L434-A437 PolarHBondContact O-N 3.13Å; A435-A437 PolarHBondContact O-N 3.37Å
438D38.4Very low40.6Very low69 Ų6988.4 Ų88.437%0.36957%0.565SS.*  trans66.6131.3170.6152.6-107.3000116.8N440 T441D438-N440 VanDerWaalsContact C-N 3.33Å; D438-N440 PolarHBondContact O-N 3.36Å; D438-N440 PolarHBondContact OD1-N 2.89Å; D438-N440 WeakPolarHBondContact OD2-CB 3.48Å; D438-N440 PolarHBondContact OD2-N 3.45Å; D438-N440 PolarHBondContact OD2-ND2 3.33Å; D438-T441 WeakPolarHBondContact OD1-CB 3.4Å; D438-T441 PolarHBondContact OD1-N 3.46Å; D438-T441 PolarHBondContact OD1-OG1 3.25Å
439P51.5Low40.8Very low101 Ų10188 Ų8866%0.65656%0.561SS**Hα-helixtrans-70.3-26.2-179.829.4-35.8000113.5A442 A443P439-A442 PolarHBondContact O-N 2.91Å; P439-A443 PolarHBondContact O-N 2.9Å; P439-A443 VanDerWaalsContact O-N 3.1Å
440N45.1Very low40.9Very low107 Ų10788.7 Ų88.757%0.57257%0.567SS**Hα-helixtrans-76.1-41.9-172.9-55.9-73.8000111.6D438 A442 A443 L444D438-N440 VanDerWaalsContact C-N 3.33Å; D438-N440 PolarHBondContact O-N 3.36Å; D438-N440 PolarHBondContact OD1-N 2.89Å; D438-N440 WeakPolarHBondContact OD2-CB 3.48Å; D438-N440 PolarHBondContact OD2-N 3.45Å; D438-N440 PolarHBondContact OD2-ND2 3.33Å; N440-A442 VanDerWaalsContact C-N 3.3Å; N440-A442 PolarHBondContact O-N 2.92Å; N440-A443 PolarHBondContact O-N 2.87Å; N440-L444 WeakPolarHBondContact O-CG 3.29Å; N440-L444 PolarHBondContact O-N 3.32Å
441T47.6Very low41.1Very low81 Ų8190.2 Ų90.250%0.49758%0.58SS.*Hα-helixtrans-63.8-37.4173.4-55.80000110.9D438 L444 L445D438-T441 WeakPolarHBondContact OD1-CB 3.4Å; D438-T441 PolarHBondContact OD1-N 3.46Å; D438-T441 PolarHBondContact OD1-OG1 3.25Å; T441-L444 PolarHBondContact O-N 2.95Å; T441-L445 WeakPolarHBondContact O-CB 3.35Å; T441-L445 PolarHBondContact O-N 3.22Å
442A41.4Very low41.3Very low50 Ų5091 Ų9141%0.41359%0.586SS.*Hα-helixtrans-62.5-43.5174.200000112.2P439 N440 L445 A446P439-A442 PolarHBondContact O-N 2.91Å; N440-A442 VanDerWaalsContact C-N 3.3Å; N440-A442 PolarHBondContact O-N 2.92Å; A442-L445 PolarHBondContact O-N 2.78Å; A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.48Å; A442-A446 PolarHBondContact O-N 3.27Å
443A46.2Very low41.2Very low60 Ų6090.3 Ų90.350%0.49658%0.583SS.*Hα-helixtrans-66.1-40.517600000112.9P439 N440 A446 S447P439-A443 PolarHBondContact O-N 2.9Å; P439-A443 VanDerWaalsContact O-N 3.1Å; N440-A443 PolarHBondContact O-N 2.87Å; A443-A446 PolarHBondContact O-N 3.37Å; A443-S447 WeakPolarHBondContact O-CB 3.38Å; A443-S447 PolarHBondContact O-N 2.88Å; A443-S447 PolarHBondContact O-OG 2.89Å
444L50.2Low40.8Very low102 Ų10288.5 Ų88.553%0.53458%0.583SS.*Hα-helixtrans-64.1-42.7174.2-76.8167.4000111.9N440 T441 S447 Y448N440-L444 WeakPolarHBondContact O-CG 3.29Å; N440-L444 PolarHBondContact O-N 3.32Å; T441-L444 PolarHBondContact O-N 2.95Å; L444-S447 WeakPolarHBondContact CA-OG 3.27Å; L444-S447 PolarHBondContact O-OG 3Å; L444-S447 VanDerWaalsContact O-OG 3.08Å; L444-Y448 WeakPolarHBondContact O-CB 3.43Å; L444-Y448 PolarHBondContact O-N 3.08Å
445L44.3Very low40.5Very low115 Ų11585.9 Ų85.960%0.60259%0.587SS**Hα-helixtrans-69.2-37.1178.4-145.475.3000111.9T441 A442 A449T441-L445 WeakPolarHBondContact O-CB 3.35Å; T441-L445 PolarHBondContact O-N 3.22Å; A442-L445 PolarHBondContact O-N 2.78Å; L445-A449 VanDerWaalsContact O-CB 3.27Å; L445-A449 WeakPolarHBondContact O-CB 3.41Å; L445-A449 PolarHBondContact O-N 2.96Å
446A42.8Very low40.2Very low60 Ų6090.8 Ų90.850%0.49660%0.602SS.*Hα-helixtrans-67.4-42.7176.300000112.6A442 A443 A449 A450A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.48Å; A442-A446 PolarHBondContact O-N 3.27Å; A443-A446 PolarHBondContact O-N 3.37Å; A446-A449 PolarHBondContact O-N 3.47Å; A446-A450 WeakPolarHBondContact O-CB 3.45Å; A446-A450 PolarHBondContact O-N 3.07Å
447S46.1Very low39.8Very low68 Ų6890.2 Ų90.248%0.47660%0.597SS.*Hα-helixtrans-68.8-37.6176.649.90000112.4A443 L444 A450 A451A443-S447 WeakPolarHBondContact O-CB 3.38Å; A443-S447 PolarHBondContact O-N 2.88Å; A443-S447 PolarHBondContact O-OG 2.89Å; L444-S447 WeakPolarHBondContact CA-OG 3.27Å; L444-S447 PolarHBondContact O-OG 3Å; L444-S447 VanDerWaalsContact O-OG 3.08Å; S447-A450 PolarHBondContact O-N 3.41Å; S447-A451 WeakPolarHBondContact O-CB 3.2Å; S447-A451 PolarHBondContact O-N 2.86Å
448Y39.5Very low39.9Very low192 Ų19292.4 Ų92.475%0.75361%0.608SS**Hα-helixtrans-66.6-37.1172.6-149.4-90.6000112.3L444 A451 A452L444-Y448 WeakPolarHBondContact O-CB 3.43Å; L444-Y448 PolarHBondContact O-N 3.08Å; Y448-A451 PolarHBondContact O-N 3.43Å; Y448-A452 PolarHBondContact O-N 3.44Å
449A37.9Very low39.7Very low51 Ų5194.9 Ų94.942%0.42163%0.628SS.*Hα-helixtrans-68.3-36.2173.900000112.8L445 A446 A452L445-A449 VanDerWaalsContact O-CB 3.27Å; L445-A449 WeakPolarHBondContact O-CB 3.41Å; L445-A449 PolarHBondContact O-N 2.96Å; A446-A449 PolarHBondContact O-N 3.47Å; A449-A452 PolarHBondContact O-N 3.48Å
450A38.2Very low38.7Very low64 Ų6495.8 Ų95.853%0.52964%0.636SS.*Hα-helixtrans-66.2-43.7173.700000111.7A446 S447 A452 F453 G454A446-A450 WeakPolarHBondContact O-CB 3.45Å; A446-A450 PolarHBondContact O-N 3.07Å; S447-A450 PolarHBondContact O-N 3.41Å; A450-A452 PolarHBondContact O-N 3.35Å; A450-F453 PolarHBondContact O-N 3.17Å; A450-F453 VanDerWaalsContact O-N 3.14Å; A450-G454 PolarHBondContact O-N 3.17Å
451A37.3Very low38.3Very low87 Ų8796.6 Ų96.672%0.71965%0.647SS**Hα-helixtrans-60.5-30.9175.800000113S447 Y448 F453S447-A451 WeakPolarHBondContact O-CB 3.2Å; S447-A451 PolarHBondContact O-N 2.86Å; Y448-A451 PolarHBondContact O-N 3.43Å; A451-F453 VanDerWaalsContact C-N 3.32Å; A451-F453 PolarHBondContact O-N 3.34Å
452A38.7Very low37.6Very low72 Ų7295.9 Ų95.960%0.59566%0.656SS**THydrogen-bonded Turntrans-76.4-10.917800000114.9Y448 A449 A450Y448-A452 PolarHBondContact O-N 3.44Å; A449-A452 PolarHBondContact O-N 3.48Å; A450-A452 PolarHBondContact O-N 3.35Å
453F36.6Very low37Very low158 Ų15899 Ų9969%0.69367%0.673SS**THydrogen-bonded Turntrans-129.5-9.6-176.3-83.3-86.1000115.6A450 A451 G455A450-F453 PolarHBondContact O-N 3.17Å; A450-F453 VanDerWaalsContact O-N 3.14Å; A451-F453 VanDerWaalsContact C-N 3.32Å; A451-F453 PolarHBondContact O-N 3.34Å; F453-G455 PolarHBondContact O-N 2.79Å
454G32.3Very low36.3Very low74 Ų74104.7 Ų104.776%0.76370%0.695SS**  trans-69.923.8-179.700000116.7A450A450-G454 PolarHBondContact O-N 3.17Å
455G30Very low35.5Very low72 Ų72103.6 Ų103.674%0.74271%0.708SS**  trans-101.814.8-16700000116.8F453F453-G455 PolarHBondContact O-N 2.79Å
456I29.8Very low34.8Very low169 Ų169104.3 Ų104.387%0.86772%0.717SS**  trans-147.1103.5179.826.7173.3000110.3
457G28.6Very low34.5Very low75 Ų75108.6 Ų108.677%0.77373%0.732SS**  trans-179.942.9-173.600000115P459G457-P459 WeakPolarHBondContact O-CD 3.4Å
458S35.3Very low33.9Very low114 Ų114112.7 Ų112.780%0.79775%0.748SS**  trans-71122.5179.4-54.20000111.8S460S458-S460 PolarHBondContact O-N 3.07Å
459P34.4Very low33.7Very low121 Ų121107 Ų10779%0.78675%0.748SS**  trans-81.3109.6173.631.3-31.6000110.5G457 P461G457-P459 WeakPolarHBondContact O-CD 3.4Å; P459-P461 WeakPolarHBondContact O-CD 3.35Å
460S30.1Very low33.5Very low119 Ų119110.6 Ų110.683%0.83277%0.767SS**  trans-76.1125.7179.4-58.40000112.7S458S458-S460 PolarHBondContact O-N 3.07Å
461P37.2Very low33.5Very low124 Ų124114.8 Ų114.881%0.80579%0.785SS**  trans-100137.1166.227.2-13000112.1P459P459-P461 WeakPolarHBondContact O-CD 3.35Å
462G32.8Very low33.3Very low66 Ų66116.7 Ų116.768%0.6879%0.794SS**  trans90120.2143.900000119.6
463C30Very low33.1Very low116 Ų116116.8 Ų116.878%0.78480%0.802SS**  trans36.7113.2138.245.60000122.4
464L31.4Very low33.1Very low180 Ų180115.1 Ų115.194%0.94280%0.804SS**  56.7130.8118.6-63.7160.2000120.4
465G31.5Very low33.3Very low78 Ų78117.9 Ų117.980%0.80481%0.807SS**  trans147.567.8155.200000116.4N467G465-N467 PolarHBondContact O-N 3.39Å
466T30.1Very low33.8Very low131 Ų131119.8 Ų119.880%0.80481%0.806SS**  trans-58.9128.1171.5-33.50000111.4
467N36.1Very low33.9Very low150 Ų150117.3 Ų117.380%0.80280%0.804SS**  trans-173.3152.4134.3-99.9-44.7000115.1G465G465-N467 PolarHBondContact O-N 3.39Å
468N34.2Very low33.9Very low153 Ų153121 Ų12182%0.81881%0.812SS**  trans-69.6158.3-170.3-48.1-59.2000115.7
469G34.4Very low33.9Very low72 Ų72119.9 Ų119.974%0.74281%0.809SS**  trans125.9112.4145.600000117.5
470P35.7Very low33.8Very low127 Ų127121.1 Ų121.183%0.82581%0.808SS**  trans-104.2136.1172.135.9-28.8000113.5
471V38Very low33.9Very low152 Ų152122.9 Ų122.992%0.92180%0.803SS**  trans-157.5156.5161.6-106.20000113.3
472S33.1Very low33.6Very low127 Ų127122.8 Ų122.889%0.88880%0.796SS**  trans-63.9158.4-176.2-44.30000116.3
473G33.6Very low33.5Very low74 Ų74128.9 Ų128.976%0.76380%0.804SS**  trans-176.741.5177.300000120.2
474T37.2Very low33.8Very low123 Ų123126.8 Ų126.876%0.75580%0.802SS**  trans9.4109.9156.552.40000122.4
475T35.9Very low33.7Very low132 Ų132124 Ų12481%0.8180%0.797SS**  55.3178.2126.861.90000121.5
476P40.2Very low33.9Very low112 Ų112125.9 Ų125.973%0.72780%0.796SS**  cis-126.8172-1735.7-19.3000114.8
477S32Very low34Very low118 Ų118124.6 Ų124.683%0.82579%0.792SS**  trans-178.198.8138-85.40000113.5
478T29.8Very low33.7Very low153 Ų153126.8 Ų126.894%0.93980%0.797SS**  trans-158122.5158.5-43.80000110.4
479A34.1Very low33.5Very low90 Ų90123.3 Ų123.374%0.74479%0.79SS**  trans-169.1152.1177.800000109.1
480I31.6Very low33.5Very low147 Ų147126.4 Ų126.475%0.75480%0.797SS**  cis-145.6175.3-7.3-13.2162.6000108.8
481Q34.2Very low33.5Very low156 Ų156124 Ų12473%0.72980%0.796SS**  trans121.3146.9146.9-60.7-61.6-11.400114
482N29.6Very low33.1Very low122 Ų122124.5 Ų124.565%0.65279%0.792SS**  -169.5172.6-66.3-179.432.3000107.2
483F32Very low33.1Very low193 Ų193124.1 Ų124.185%0.84678%0.784SS**  trans72.7133.3-174.1-58.9-90.3000114.7
484G35.3Very low33Very low73 Ų73128.3 Ų128.375%0.75379%0.789SS**  cis-168.6138.9-7.800000112
485S28.4Very low32.7Very low121 Ų121127.2 Ų127.285%0.84679%0.787SS**  trans-89.9177.5-175.6-49.90000112
486P37.4Very low32.4Very low118 Ų118129.4 Ų129.477%0.76679%0.793SS**  cis-141.9166.111.342.9-23.8000119.6
487S30.5Very low31.9Very low104 Ų104128.5 Ų128.573%0.72780%0.795SS**  trans-8.1137147.3-176.50000119.6
488Q30.1Very low31.8Very low195 Ų195126.5 Ų126.591%0.91179%0.786SS**  trans-131.6147.9135.5-74.9-161.511.100111
489A31Very low31.8Very low81 Ų81128.3 Ų128.367%0.66979%0.785SS**  trans-90.6159.6175.500000111.3G491A489-G491 PolarHBondContact O-N 3.15Å
490P34.5Very low31.8Very low137 Ų137128.3 Ų128.389%0.8979%0.786SS**  trans-68.4105.817827.5-34.3000111.6
491G34.2Very low32.1Very low77 Ų77129.4 Ų129.479%0.79479%0.79SS**  trans-81.3147.9175.500000113.3A489A489-G491 PolarHBondContact O-N 3.15Å
492L30.8Very low32Very low162 Ų162129.9 Ų129.985%0.84879%0.79SS**  trans-89.7172.6178.2-70.3164.1000112.3
493T32.4Very low32.5Very low118 Ų118129.1 Ų129.172%0.72479%0.791SS**  trans64114160.848.80000119.6
494N32.9Very low32.8Very low162 Ų162127.9 Ų127.987%0.86679%0.788SS**  trans170.791.4140.5-87.6-22.8000106.5
495S30.6Very low32.7Very low101 Ų101129.5 Ų129.571%0.70678%0.783SS**  69.391.252.3-56.20000115.2
496L29.4Very low33.1Very low177 Ų177127.6 Ų127.693%0.92778%0.783SS**  trans77.4153.3142.6-151.369000119.4
497A29.4Very low32.9Very low93 Ų93128.4 Ų128.477%0.76979%0.786SS**  trans76.4145.8167.400000118.4
498A29.3Very low33.1Very low77 Ų77131.4 Ų131.464%0.63679%0.793SS**  cis-167.4156.4-24.600000110.7
499M30.9Very low33.4Very low190 Ų190130.1 Ų130.194%0.93679%0.792SS**  trans67.8147.2167.6-38.6-165.6-175.600114.6
500A33.5Very low33.5Very low91 Ų91129.9 Ų129.975%0.75280%0.797SS**  cis-139.5-165-0.200000108.9
501M37Very low33.7Very low169 Ų169128.5 Ų128.583%0.83379%0.788SS**  cis-154-161.86.6-138.3-33.5169.200110.1
502F33.9Very low33.9Very low167 Ų167132.8 Ų132.873%0.73279%0.793SS**  trans-134.7-176.1173.6-114.6-117.7000108.9T505F502-T505 HydrophobicContact CE1-CG2 4.27Å
503P39.8Very low34.2Very low105 Ų105128.8 Ų128.868%0.68279%0.79SS**  cis-114.6-161.4-6.933.1-11.6000111.1
504Q38.6Very low34.5Very low168 Ų168132.3 Ų132.379%0.78580%0.798SS**  cis-134.8165.57.8-73.3-176.1-8.700109.4
505T32.2Very low34.9Very low106 Ų106131 Ų13165%0.6580%0.796SS**  cis83.285.816.2750000117.8F502F502-T505 HydrophobicContact CE1-CG2 4.27Å
506G36.5Very low35.4Very low81 Ų81132.4 Ų132.484%0.83580%0.803SS**  trans-16650.5-179.400000117.8
507T33.4Very low35.6Very low135 Ų135131 Ų13183%0.82880%0.795SS**  trans-99.4120.6178.448.90000113.2
508L35.1Very low36.1Very low168 Ų168132.5 Ų132.588%0.8880%0.795SS**  trans-146.9138.1158.1-93.4-173.8000115.2
509L35.4Very low36.4Very low168 Ų168135.9 Ų135.988%0.8880%0.797SS**  trans-38.9148.6175.5-62.7156.4000118.6
510G34.1Very low36.5Very low76 Ų76138 Ų13878%0.78480%0.795SS**  trans172.198.6160.200000114.8
511P38.7Very low36.8Very low108 Ų108142 Ų14270%0.70180%0.796SS**  trans-98.4175.4-179.837.3-33.9000114.6
512N38.9Very low36.9Very low167 Ų167138.3 Ų138.389%0.89378%0.78SS**  trans88.7131.1176.1-50.2-69.2000116.3
513G36.2Very low37.6Very low77 Ų77136 Ų13679%0.79478%0.781SS**  trans142.379.7173.400000114.6
514H38.7Very low38.1Very low193 Ų193135.3 Ų135.389%0.89478%0.779SS**  trans-76.5127.1168.6-88.9-143.6000111.1
515T41.9Very low38.8Very low135 Ų135130.8 Ų130.883%0.82877%0.766SS**  trans-165.7143.8139.217.40000110.1
516P39.9Very low39.7Very low130 Ų130130 Ų13084%0.84476%0.758SS**  trans-85.6127-179.733.1-32000111.6
517L34.9Very low40.4Very low147 Ų147133.1 Ų133.177%0.7775%0.752SS**  trans-116.6115.3175.3-146.3174.4000110.1Q519L517-Q519 VanDerWaalsContact C-N 3.29Å; L517-Q519 PolarHBondContact O-N 3.1Å
518V38.9Very low42Very low125 Ų125129.3 Ų129.376%0.75874%0.74SS**  trans-75.583172.4-178.40000108.6W520V518-W520 PolarHBondContact O-N 2.9Å
519Q36.4Very low43.9Very low147 Ų147125.9 Ų125.969%0.68773%0.725SS**  trans-80.6110.4176-171.2164.5-10.300110L517 F521L517-Q519 VanDerWaalsContact C-N 3.29Å; L517-Q519 PolarHBondContact O-N 3.1Å; Q519-F521 PolarHBondContact O-N 3.16Å
520W32.4Very low45.7Very low234 Ų234122.1 Ų122.189%0.88670%0.703SS**PPolyproline II helixtrans-63.7128.9172.3-73.546.8000108.9V518V518-W520 PolarHBondContact O-N 2.9Å
521F38.7Very low48Very low176 Ų176124.2 Ų124.277%0.77270%0.696SS**PPolyproline II helixtrans-86134.5-179.8-110.6-89.6000112.3Q519Q519-F521 PolarHBondContact O-N 3.16Å
522D39.8Very low50.1Low92 Ų92124.5 Ų124.549%0.49269%0.688SS.*PPolyproline II helixtrans-72.1129.4-174-168.5-48.5000111.5S524 S525D522-S524 PolarHBondContact O-N 3.48Å; D522-S524 VanDerWaalsContact O-N 3.08Å; D522-S524 WeakPolarHBondContact OD1-CB 3.36Å; D522-S524 PolarHBondContact OD1-N 3.25Å; D522-S524 PolarHBondContact OD1-OG 3.25Å; D522-S525 PolarHBondContact O-N 3.42Å; D522-S525 PolarHBondContact O-OG 3.43Å
523P48.9Very low52.3Low117 Ų117121.1 Ų121.176%0.7667%0.669SS**G310 helixtrans-60.2-19.7178.826.8-35.8000113.6S525P523-S525 VanDerWaalsContact C-N 3.34Å; P523-S525 PolarHBondContact O-N 2.88Å
524S51.3Low54.7Low92 Ų92122.2 Ų122.264%0.64365%0.654SS**G310 helixtrans-71.7-25.5-177.2-43.90000113.5D522D522-S524 PolarHBondContact O-N 3.48Å; D522-S524 VanDerWaalsContact O-N 3.08Å; D522-S524 WeakPolarHBondContact OD1-CB 3.36Å; D522-S524 PolarHBondContact OD1-N 3.25Å; D522-S524 PolarHBondContact OD1-OG 3.25Å
525S52.4Low57.2Low72 Ų72118.8 Ų118.850%0.50364%0.638SS.*G310 helixtrans-80.2-13.2-174.458.30000114.6D522 P523D522-S525 PolarHBondContact O-N 3.42Å; D522-S525 PolarHBondContact O-OG 3.43Å; P523-S525 VanDerWaalsContact C-N 3.34Å; P523-S525 PolarHBondContact O-N 2.88Å
526N52.1Low59.5Low90 Ų90119.5 Ų119.548%0.48163%0.625SS.*G310 helixtrans-81.2-16.6-170.7-159.129.2000114.6G528 V529 E530N526-G528 PolarHBondContact O-N 3.24Å; N526-G528 VanDerWaalsContact O-N 3.14Å; N526-V529 PolarHBondContact O-N 3.44Å; N526-E530 PolarHBondContact O-N 3.43Å
527M50.7Low61.8Low147 Ų147116.8 Ų116.872%0.72460%0.603SS**Hα-helixtrans-53.9-35.5-177.5-78.5-78-74.600113.9L531M527-L531 WeakPolarHBondContact O-CB 3.37Å; M527-L531 PolarHBondContact O-N 3.3Å; M527-L531 VanDerWaalsContact O-N 3.13Å
528G66.8Low64.6Low54 Ų54116.2 Ų116.256%0.55760%0.597SS**Hα-helixtrans-70.9-38.317800000113.5N526 E532N526-G528 PolarHBondContact O-N 3.24Å; N526-G528 VanDerWaalsContact O-N 3.14Å; G528-E532 WeakPolarHBondContact O-CB 3.47Å; G528-E532 PolarHBondContact O-N 3.25Å
529V73.9Confident67.2Low96 Ų96115.3 Ų115.358%0.58258%0.584SS**Hα-helixtrans-74.2-38179.5-1730000110.6N526 E532 L533N526-V529 PolarHBondContact O-N 3.44Å; V529-E532 PolarHBondContact O-N 3.21Å; V529-L533 VanDerWaalsContact O-CB 3.26Å; V529-L533 WeakPolarHBondContact O-CB 3.44Å; V529-L533 PolarHBondContact O-N 2.9Å
530E75Confident69.9Low89 Ų89113.9 Ų113.942%0.41658%0.577SS.*Hα-helixtrans-59.9-45.3173.2-172.369.7-165.200111.2N526 L533 Q534N526-E530 PolarHBondContact O-N 3.43Å; E530-L533 PolarHBondContact O-N 3.39Å; E530-Q534 WeakPolarHBondContact O-CB 3.44Å; E530-Q534 WeakPolarHBondContact O-CG 3.39Å; E530-Q534 PolarHBondContact O-N 3.2Å; E530-Q534 PolarHBondContact OE1-NE2 3.48Å
531L80.8Confident72.7Confident121 Ų121108.8 Ų108.863%0.63456%0.563SS**Hα-helixtrans-68.4-42.2178.7-151.788.6000112.6M527 Q534 H535M527-L531 WeakPolarHBondContact O-CB 3.37Å; M527-L531 PolarHBondContact O-N 3.3Å; M527-L531 VanDerWaalsContact O-N 3.13Å; L531-Q534 PolarHBondContact O-N 3.06Å; L531-H535 WeakPolarHBondContact O-CB 3.36Å; L531-H535 PolarHBondContact O-N 3.4Å
532E83.5Confident75.3Confident113 Ų113107.1 Ų107.153%0.52856%0.558SS.*Hα-helixtrans-60.3-44.4173.8178.970.2-172.400110.8G528 V529 H535 R536G528-E532 WeakPolarHBondContact O-CB 3.47Å; G528-E532 PolarHBondContact O-N 3.25Å; V529-E532 PolarHBondContact O-N 3.21Å; E532-H535 PolarHBondContact O-N 3.03Å; E532-R536 WeakPolarHBondContact O-CB 3.47Å; E532-R536 WeakPolarHBondContact O-CG 3.38Å; E532-R536 PolarHBondContact O-N 3.37Å
533L85.5Confident77.7Confident96 Ų96108.9 Ų108.950%0.50356%0.563SS.*Hα-helixtrans-61.1-45.8176.1-172.280.1000111.5V529 E530 R536 I537V529-L533 VanDerWaalsContact O-CB 3.26Å; V529-L533 WeakPolarHBondContact O-CB 3.44Å; V529-L533 PolarHBondContact O-N 2.9Å; E530-L533 PolarHBondContact O-N 3.39Å; L533-R536 PolarHBondContact O-N 2.95Å; L533-I537 HydrophobicContact CD2-CD1 4.33Å; L533-I537 HydrophobicContact CG-CD1 3.97Å; L533-I537 VanDerWaalsContact O-CG1 3.29Å; L533-I537 WeakPolarHBondContact O-CG1 3.18Å; L533-I537 PolarHBondContact O-N 3.49Å
534Q85.2Confident79.5Confident101 Ų101107.4 Ų107.447%0.47255%0.548SS..Hα-helixtrans-62.4-43.1177.7-72169.813.400111.4E530 L531 I537 Q538E530-Q534 WeakPolarHBondContact O-CB 3.44Å; E530-Q534 WeakPolarHBondContact O-CG 3.39Å; E530-Q534 PolarHBondContact O-N 3.2Å; E530-Q534 PolarHBondContact OE1-NE2 3.48Å; L531-Q534 PolarHBondContact O-N 3.06Å; Q534-I537 PolarHBondContact O-N 2.99Å; Q534-Q538 WeakPolarHBondContact O-CB 3.46Å; Q534-Q538 PolarHBondContact O-N 2.91Å
535H91.7Very high81.3Confident120 Ų120109.6 Ų109.656%0.55655%0.548SS*.Hα-helixtrans-62.2-43.2175-163.491.5000111.8L531 E532 Q538 Q539L531-H535 WeakPolarHBondContact O-CB 3.36Å; L531-H535 PolarHBondContact O-N 3.4Å; E532-H535 PolarHBondContact O-N 3.03Å; H535-Q538 PolarHBondContact O-N 2.94Å; H535-Q539 WeakPolarHBondContact O-CB 3.2Å; H535-Q539 PolarHBondContact O-N 3.13Å
536R89.9Confident82.9Confident150 Ų150108.8 Ų108.857%0.56655%0.546SS*.Hα-helixtrans-64.7-38.7176.7-71.5-71.4-65.5-104.2-2112.9E532 L533 Q540E532-R536 WeakPolarHBondContact O-CB 3.47Å; E532-R536 WeakPolarHBondContact O-CG 3.38Å; E532-R536 PolarHBondContact O-N 3.37Å; L533-R536 PolarHBondContact O-N 2.95Å; R536-Q540 WeakPolarHBondContact O-CB 3.49Å; R536-Q540 PolarHBondContact O-N 3.18Å
537I90Very high84.5Confident74 Ų74109.7 Ų109.738%0.37955%0.551SS.*Hα-helixtrans-66.7-42.8174.4-70.3165.9000110.5L533 Q534 Q540 Q541L533-I537 HydrophobicContact CD2-CD1 4.33Å; L533-I537 HydrophobicContact CG-CD1 3.97Å; L533-I537 VanDerWaalsContact O-CG1 3.29Å; L533-I537 WeakPolarHBondContact O-CG1 3.18Å; L533-I537 PolarHBondContact O-N 3.49Å; Q534-I537 PolarHBondContact O-N 2.99Å; I537-Q540 PolarHBondContact O-N 2.92Å; I537-Q541 WeakPolarHBondContact O-CG 3.49Å; I537-Q541 PolarHBondContact O-N 3.36Å
538Q92.7Very high86.2Confident135 Ų135108.8 Ų108.863%0.63155%0.545SS*.Hα-helixtrans-64.3-43.2177.9-166.8172.336.300111.7Q534 H535 Q540 Q541 Q542Q534-Q538 WeakPolarHBondContact O-CB 3.46Å; Q534-Q538 PolarHBondContact O-N 2.91Å; H535-Q538 PolarHBondContact O-N 2.94Å; Q538-Q540 VanDerWaalsContact C-N 3.34Å; Q538-Q540 PolarHBondContact O-N 3.06Å; Q538-Q541 PolarHBondContact O-N 3.31Å; Q538-Q542 WeakPolarHBondContact O-CB 3.29Å; Q538-Q542 PolarHBondContact O-N 3.19Å
539Q93.2Very high86.9Confident105 Ų105115.9 Ų115.949%0.49156%0.555SS.*Hα-helixtrans-59.3-43.1172.9-171.8-177.741.800111.8H535 Q542 Q543H535-Q539 WeakPolarHBondContact O-CB 3.2Å; H535-Q539 PolarHBondContact O-N 3.13Å; Q539-Q542 PolarHBondContact O-N 3.25Å; Q539-Q543 PolarHBondContact O-N 3Å
540Q93.1Very high87.1Confident117 Ų117114.1 Ų114.155%0.54755%0.55SS.*Hα-helixtrans-64.1-43.6177.5-170.4-17924.200112.2R536 I537 Q538 Q542 Q543 I544R536-Q540 WeakPolarHBondContact O-CB 3.49Å; R536-Q540 PolarHBondContact O-N 3.18Å; I537-Q540 PolarHBondContact O-N 2.92Å; Q538-Q540 VanDerWaalsContact C-N 3.34Å; Q538-Q540 PolarHBondContact O-N 3.06Å; Q540-Q542 VanDerWaalsContact C-N 3.34Å; Q540-Q542 PolarHBondContact O-N 3.36Å; Q540-Q543 PolarHBondContact O-N 3.14Å; Q540-I544 HydrophobicContact CG-CD1 4.15Å; Q540-I544 WeakPolarHBondContact O-CG1 3.27Å; Q540-I544 PolarHBondContact O-N 3.46Å
541Q92.5Very high87Confident127 Ų127115.7 Ų115.759%0.59356%0.561SS**Hα-helixtrans-61.4-43.2175.2-71.5-176.22300111.6I537 Q538 Q543 I544 Q545I537-Q541 WeakPolarHBondContact O-CG 3.49Å; I537-Q541 PolarHBondContact O-N 3.36Å; Q538-Q541 PolarHBondContact O-N 3.31Å; Q541-Q543 VanDerWaalsContact C-N 3.33Å; Q541-Q543 PolarHBondContact O-N 3.16Å; Q541-I544 PolarHBondContact O-N 3.15Å; Q541-Q545 WeakPolarHBondContact O-CB 3.32Å; Q541-Q545 PolarHBondContact O-N 2.96Å
542Q92.2Very high86.4Confident142 Ų142112.8 Ų112.866%0.66455%0.554SS**Hα-helixtrans-63.4-37.8178.3-162174.850.200111.9Q538 Q539 Q540 Q545 A546Q538-Q542 WeakPolarHBondContact O-CB 3.29Å; Q538-Q542 PolarHBondContact O-N 3.19Å; Q539-Q542 PolarHBondContact O-N 3.25Å; Q540-Q542 VanDerWaalsContact C-N 3.34Å; Q540-Q542 PolarHBondContact O-N 3.36Å; Q542-Q545 PolarHBondContact O-N 2.75Å; Q542-A546 WeakPolarHBondContact O-CB 3.45Å; Q542-A546 PolarHBondContact O-N 3.01Å
543Q91.1Very high85.6Confident129 Ų129110.2 Ų110.260%0.60355%0.552SS**Hα-helixtrans-69.3-38.4174.7-167.4176.216.700112.8Q539 Q540 Q541 A546 N547Q539-Q543 PolarHBondContact O-N 3Å; Q540-Q543 PolarHBondContact O-N 3.14Å; Q541-Q543 VanDerWaalsContact C-N 3.33Å; Q541-Q543 PolarHBondContact O-N 3.16Å; Q543-A546 PolarHBondContact O-N 2.8Å; Q543-N547 PolarHBondContact O-N 3.37Å
544I85.7Confident84.4Confident86 Ų86108.4 Ų108.444%0.44155%0.551SS.*Hα-helixtrans-63.3-44.9173.6-69.5165.9000110.3Q540 Q541 A546 N547 Q548Q540-I544 HydrophobicContact CG-CD1 4.15Å; Q540-I544 WeakPolarHBondContact O-CG1 3.27Å; Q540-I544 PolarHBondContact O-N 3.46Å; Q541-I544 PolarHBondContact O-N 3.15Å; I544-A546 PolarHBondContact O-N 3.45Å; I544-N547 PolarHBondContact O-N 2.98Å; I544-Q548 WeakPolarHBondContact O-CG 3.36Å; I544-Q548 PolarHBondContact O-N 3.05Å
545Q89.4Confident83.1Confident137 Ų137109 Ų10964%0.6456%0.561SS**Hα-helixtrans-65.8-37.1177.6-163.9179.732.100112Q541 Q542 Q548 R549Q541-Q545 WeakPolarHBondContact O-CB 3.32Å; Q541-Q545 PolarHBondContact O-N 2.96Å; Q542-Q545 PolarHBondContact O-N 2.75Å; Q545-Q548 PolarHBondContact O-N 3Å; Q545-R549 WeakPolarHBondContact O-CB 3.41Å; Q545-R549 PolarHBondContact O-N 3.39Å
546A85.7Confident81.2Confident56 Ų56107.6 Ų107.646%0.46357%0.571SS.*Hα-helixtrans-63-44.8173.100000112Q542 Q543 I544 R549 A550Q542-A546 WeakPolarHBondContact O-CB 3.45Å; Q542-A546 PolarHBondContact O-N 3.01Å; Q543-A546 PolarHBondContact O-N 2.8Å; I544-A546 PolarHBondContact O-N 3.45Å; A546-R549 PolarHBondContact O-N 3.41Å; A546-A550 WeakPolarHBondContact O-CB 3.35Å; A546-A550 PolarHBondContact O-N 3.46Å
547N86Confident79.3Confident108 Ų108103.2 Ų103.258%0.57857%0.567SS**Hα-helixtrans-63.7-41.4174.9-83.2-16.8000112.4Q543 I544 A550 L551Q543-N547 PolarHBondContact O-N 3.37Å; I544-N547 PolarHBondContact O-N 2.98Å; N547-A550 PolarHBondContact O-N 3Å; N547-L551 WeakPolarHBondContact O-CB 3.34Å; N547-L551 PolarHBondContact O-N 3.28Å
548Q85.9Confident76.7Confident129 Ų129102.6 Ų102.660%0.60358%0.578SS**Hα-helixtrans-63.3-40.4173.8-72.8179.95.200111.8I544 Q545 L551 A552I544-Q548 WeakPolarHBondContact O-CG 3.36Å; I544-Q548 PolarHBondContact O-N 3.05Å; Q545-Q548 PolarHBondContact O-N 3Å; Q548-L551 PolarHBondContact O-N 2.96Å; Q548-A552 VanDerWaalsContact O-CB 3.29Å; Q548-A552 WeakPolarHBondContact O-CB 3.43Å; Q548-A552 PolarHBondContact O-N 3.35Å
549R82.8Confident74.2Confident203 Ų203104.8 Ų104.877%0.76659%0.586SS**Hα-helixtrans-67.9-37.1176.2-170.6174.2-177.6171.51112.4Q545 A546 A553Q545-R549 WeakPolarHBondContact O-CB 3.41Å; Q545-R549 PolarHBondContact O-N 3.39Å; A546-R549 PolarHBondContact O-N 3.41Å; R549-A553 VanDerWaalsContact O-CB 3.27Å; R549-A553 WeakPolarHBondContact O-CB 3.17Å; R549-A553 PolarHBondContact O-N 3.49Å
550A76.5Confident71.8Confident58 Ų58105 Ų10548%0.47960%0.595SS.*Hα-helixtrans-67-42.517400000111.8A546 N547 A553 A554A546-A550 WeakPolarHBondContact O-CB 3.35Å; A546-A550 PolarHBondContact O-N 3.46Å; N547-A550 PolarHBondContact O-N 3Å; A550-A553 PolarHBondContact O-N 3.32Å; A550-A554 WeakPolarHBondContact O-CB 3.4Å; A550-A554 PolarHBondContact O-N 3.14Å
551L73.7Confident69.2Low123 Ų123105.6 Ų105.664%0.64461%0.609SS**Hα-helixtrans-62.8-46.2174-167.978.7000111.3N547 Q548 A553 A554 V555N547-L551 WeakPolarHBondContact O-CB 3.34Å; N547-L551 PolarHBondContact O-N 3.28Å; Q548-L551 PolarHBondContact O-N 2.96Å; L551-A553 VanDerWaalsContact C-N 3.33Å; L551-A553 PolarHBondContact O-N 3.34Å; L551-A554 PolarHBondContact O-N 3.46Å; L551-V555 WeakPolarHBondContact O-CG2 3.19Å; L551-V555 PolarHBondContact O-N 3.48Å
552A69.1Low66.5Low60 Ų60105.3 Ų105.350%0.49662%0.615SS.*Hα-helixtrans-62.6-38.7176.600000112.1Q548 A556Q548-A552 VanDerWaalsContact O-CB 3.29Å; Q548-A552 WeakPolarHBondContact O-CB 3.43Å; Q548-A552 PolarHBondContact O-N 3.35Å; A552-A556 WeakPolarHBondContact O-CB 3.3Å; A552-A556 PolarHBondContact O-N 3.09Å
553A66.4Low63.7Low58 Ų58104.1 Ų104.148%0.47962%0.623SS.*Hα-helixtrans-66.3-40.917400000112.3R549 A550 L551 A556 A557R549-A553 VanDerWaalsContact O-CB 3.27Å; R549-A553 WeakPolarHBondContact O-CB 3.17Å; R549-A553 PolarHBondContact O-N 3.49Å; A550-A553 PolarHBondContact O-N 3.32Å; L551-A553 VanDerWaalsContact C-N 3.33Å; L551-A553 PolarHBondContact O-N 3.34Å; A553-A556 PolarHBondContact O-N 3.31Å; A553-A557 WeakPolarHBondContact O-CB 3.38Å; A553-A557 PolarHBondContact O-N 3.16Å
554A58.9Low61Low58 Ų58105.5 Ų105.548%0.47963%0.634SS.*Hα-helixtrans-65.3-40.8176.100000112.4A550 L551 A557A550-A554 WeakPolarHBondContact O-CB 3.4Å; A550-A554 PolarHBondContact O-N 3.14Å; L551-A554 PolarHBondContact O-N 3.46Å; A554-A557 PolarHBondContact O-N 3.38Å
555V58Low58.7Low114 Ų114106.5 Ų106.569%0.69165%0.646SS**Hα-helixtrans-66.6-43.7174.4170.90000111.2L551 A557 G558L551-V555 WeakPolarHBondContact O-CG2 3.19Å; L551-V555 PolarHBondContact O-N 3.48Å; V555-A557 VanDerWaalsContact C-N 3.3Å; V555-A557 PolarHBondContact O-N 3.07Å; V555-G558 PolarHBondContact O-N 3.26Å
556A52.1Low55.9Low91 Ų91104.7 Ų104.775%0.75265%0.654SS**Hα-helixtrans-68.3-26.5176.900000113.4A552 A553 G558A552-A556 WeakPolarHBondContact O-CB 3.3Å; A552-A556 PolarHBondContact O-N 3.09Å; A553-A556 PolarHBondContact O-N 3.31Å; A556-G558 PolarHBondContact O-N 3.22Å
557A49.6Very low53.6Low58 Ų58108 Ų10848%0.47967%0.669SS.*THydrogen-bonded Turntrans-78.5-2.9175.600000113.8A553 A554 V555 F559A553-A557 WeakPolarHBondContact O-CB 3.38Å; A553-A557 PolarHBondContact O-N 3.16Å; A554-A557 PolarHBondContact O-N 3.38Å; V555-A557 VanDerWaalsContact C-N 3.3Å; V555-A557 PolarHBondContact O-N 3.07Å; A557-F559 HydrophobicContact CB-CD2 3.87Å; A557-F559 HydrophobicContact CB-CE2 4.32Å; A557-F559 WeakPolarHBondContact O-CD2 3.44Å; A557-F559 PolarHBondContact O-N 3.48Å; A557-F559 VanDerWaalsContact O-N 3.14Å
558G36.7Very low51.1Low61 Ų61110 Ų11063%0.62968%0.679SS**THydrogen-bonded Turntrans66.914.2170.300000115.9V555 A556 T560V555-G558 PolarHBondContact O-N 3.26Å; A556-G558 PolarHBondContact O-N 3.22Å; G558-T560 PolarHBondContact O-N 3.47Å; G558-T560 VanDerWaalsContact O-N 3.16Å
559F40.2Very low48.6Very low180 Ų180110.5 Ų110.579%0.78969%0.691SS**  trans-72.4109.9-176.2-87.5-87.2000112A557A557-F559 HydrophobicContact CB-CD2 3.87Å; A557-F559 HydrophobicContact CB-CE2 4.32Å; A557-F559 WeakPolarHBondContact O-CD2 3.44Å; A557-F559 PolarHBondContact O-N 3.48Å; A557-F559 VanDerWaalsContact O-N 3.14Å
560T41.4Very low46.3Very low111 Ų111108.6 Ų108.668%0.68170%0.695SS**  trans-64.2134.6163.747.40000109.6G558 V562G558-T560 PolarHBondContact O-N 3.47Å; G558-T560 VanDerWaalsContact O-N 3.16Å; T560-V562 PolarHBondContact O-N 2.8Å
561P39.7Very low44.3Very low129 Ų129114 Ų11484%0.83871%0.71SS**  trans-76.585.8-177.130.2-34.9000111S563P561-S563 PolarHBondContact O-N 3.47Å
562V36.1Very low42.2Very low120 Ų120115.2 Ų115.273%0.72772%0.717SS**  trans-64.3127.1160.4175.80000108T560 L564T560-V562 PolarHBondContact O-N 2.8Å; V562-L564 PolarHBondContact O-N 2.9Å
563S32.8Very low40.5Very low117 Ų117119.8 Ų119.882%0.81873%0.733SS**  trans-59.8108-175.7-55.30000112.7P561P561-S563 PolarHBondContact O-N 3.47Å
564L33.9Very low39Very low159 Ų159123.1 Ų123.183%0.83275%0.747SS**  trans-84.5131.2161.8-72.2106000109.8V562 A566V562-L564 PolarHBondContact O-N 2.9Å; L564-A566 PolarHBondContact O-N 3.25Å
565P37.2Very low37.6Very low107 Ų107124.2 Ų124.270%0.69576%0.764SS**  trans-72.5125.8178.329-33.4000110.8T567P565-T567 VanDerWaalsContact C-N 3.31Å; P565-T567 PolarHBondContact O-N 2.82Å; P565-T567 PolarHBondContact O-OG1 3.49Å
566A31.9Very low36.4Very low98 Ų98123.7 Ų123.781%0.8177%0.765SS**  trans-68.986.3173.100000110.7L564 N568L564-A566 PolarHBondContact O-N 3.25Å; A566-N568 PolarHBondContact O-N 3.05Å
567T36.3Very low35.4Very low127 Ų127126.4 Ų126.478%0.77977%0.765SS**  trans-88.495.1169.330.50000108.6P565 T569P565-T567 VanDerWaalsContact C-N 3.31Å; P565-T567 PolarHBondContact O-N 2.82Å; P565-T567 PolarHBondContact O-OG1 3.49Å; T567-T569 PolarHBondContact O-N 3.18Å
568N34.5Very low34.5Very low148 Ų148129.1 Ų129.179%0.79178%0.781SS**  trans-60.8133171.4-71-37.5000109.5A566 I570A566-N568 PolarHBondContact O-N 3.05Å; N568-I570 PolarHBondContact O-N 3.06Å; N568-I570 VanDerWaalsContact O-N 3.07Å
569T33.5Very low34.3Very low140 Ų140129.8 Ų129.886%0.85979%0.788SS**  trans-65.3107.4174.636.30000110.9T567T567-T569 PolarHBondContact O-N 3.18Å
570I35Very low33.9Very low163 Ų163128.2 Ų128.284%0.83679%0.788SS**  trans-108.3132.2151.1-63.1-179.1000106.1N568N568-I570 PolarHBondContact O-N 3.06Å; N568-I570 VanDerWaalsContact O-N 3.07Å
571E32.8Very low33.5Very low171 Ų171129.4 Ų129.480%0.79980%0.797SS**  trans-78.9158.8-169-57.3174.8120.200112.7
572N30.9Very low33.2Very low149 Ų149129.8 Ų129.880%0.79780%0.797SS**  trans53.6108.2166.3-75.9-37.4000118.1
573L33.5Very low32.8Very low157 Ų157127.5 Ų127.582%0.82280%0.797SS**  -17898.5108.8-94.2155.8000112.8
574T33.6Very low32.7Very low128 Ų128130.3 Ų130.379%0.78580%0.803SS**  trans36.3102.9143.556.10000121.4
575G31.1Very low32.3Very low80 Ų80129.3 Ų129.383%0.82581%0.807SS**  trans79.4161.214500000118.5
576S31Very low32Very low104 Ų104127.2 Ų127.273%0.72781%0.805SS**  cis-175.9157.8-20.6-169.80000107.6
577I31.6Very low32Very low147 Ų147127.4 Ų127.475%0.75481%0.807SS**  trans63.488.9166.9-61.3149000114
578S31.4Very low31.9Very low116 Ų116129.8 Ų129.881%0.81181%0.807SS**  78.2124.979.778.40000116.4
579G31.5Very low32Very low74 Ų74126.4 Ų126.476%0.76379%0.794SS**  trans171.599.417000000115.5
580N32.1Very low32.4Very low148 Ų148124 Ų12479%0.79178%0.781SS**  trans23.5119.2161.5-64.8-8.4000121.4
581P32.4Very low32.6Very low135 Ų135119.6 Ų119.688%0.87777%0.765SS**  trans-82.5116.7154.633-28.7000110.8
582V33.8Very low33Very low137 Ų137117.7 Ų117.783%0.8376%0.756SS**  trans-116.1124.2161.6-179.10000107.1
583G28.7Very low33.2Very low72 Ų72113.6 Ų113.674%0.74274%0.743SS**  trans-82.1163.4-160.200000115.7
584L30.3Very low33.4Very low177 Ų177109.1 Ų109.193%0.92773%0.728SS**  trans-139.5131.6160.4-108.3161.3000108.8G586L584-G586 PolarHBondContact O-N 3.44Å
585C26Very low33.6Very low137 Ų137106 Ų10693%0.92672%0.715SS**  trans-80116.5-167.5-57.90000112
586G30.4Very low33.9Very low63 Ų63104.9 Ų104.965%0.64970%0.698SS**  trans-115.7102.216900000110.8L584 F588L584-G586 PolarHBondContact O-N 3.44Å; G586-F588 PolarHBondContact O-N 3.43Å
587A31.3Very low34.5Very low103 Ų103104.1 Ų104.185%0.85169%0.69SS**  trans-75.494.5-173.500000112.5S589A587-S589 PolarHBondContact O-N 3.44Å
588F33.5Very low34.7Very low177 Ų17799.7 Ų99.778%0.77667%0.674SS**  trans-74.8119.6168.1-92.8-90.1000110.8G586G586-F588 PolarHBondContact O-N 3.43Å
589S36.6Very low35Very low76 Ų7696.4 Ų96.453%0.53166%0.655SS.*  trans-68.5140.6-177.7-49.40000112.2A587 S591 Q592A587-S589 PolarHBondContact O-N 3.44Å; S589-S591 PolarHBondContact O-N 3.06Å; S589-Q592 PolarHBondContact O-N 2.89Å
590P42.9Very low35.5Very low90 Ų9097.7 Ų97.758%0.58464%0.644SS**Hα-helixtrans-63.5-11-177.424.3-34000114.6A594P590-A594 PolarHBondContact O-N 2.87Å
591S38.5Very low35.8Very low70 Ų7096.3 Ų96.349%0.4963%0.634SS.*Hα-helixtrans-64.8-33.3176.448.90000114.3S589 A595S589-S591 PolarHBondContact O-N 3.06Å; S591-A595 PolarHBondContact O-N 3.25Å
592Q41.8Very low36.3Very low131 Ų13196.1 Ų96.161%0.61263%0.625SS**Hα-helixtrans-77-36.1176.9-80.4-171.5-8.900112.7S589 A595 A596S589-Q592 PolarHBondContact O-N 2.89Å; Q592-A595 PolarHBondContact O-N 3.31Å; Q592-A596 PolarHBondContact O-N 2.97Å
593A36.1Very low36.5Very low63 Ų6397.6 Ų97.652%0.52162%0.616SS.*Hα-helixtrans-63.4-45.4176.700000111.6A595 A596 V597A593-A595 VanDerWaalsContact C-N 3.33Å; A593-A595 PolarHBondContact O-N 3.4Å; A593-A596 PolarHBondContact O-N 3.23Å; A593-V597 WeakPolarHBondContact O-CG2 3.39Å; A593-V597 PolarHBondContact O-N 3.27Å
594A35.9Very low36.9Very low63 Ų6397.7 Ų97.752%0.52161%0.609SS.*Hα-helixtrans-59.6-41.117600000112.5P590 V597 A598P590-A594 PolarHBondContact O-N 2.87Å; A594-V597 PolarHBondContact O-N 3.34Å; A594-A598 WeakPolarHBondContact O-CB 3.27Å; A594-A598 PolarHBondContact O-N 3.2Å
595A38.8Very low37.3Very low62 Ų6298.2 Ų98.251%0.51261%0.605SS.*Hα-helixtrans-65.1-39.5176.600000112.8S591 Q592 A593 A599S591-A595 PolarHBondContact O-N 3.25Å; Q592-A595 PolarHBondContact O-N 3.31Å; A593-A595 VanDerWaalsContact C-N 3.33Å; A593-A595 PolarHBondContact O-N 3.4Å; A595-A599 WeakPolarHBondContact O-CB 3.48Å; A595-A599 PolarHBondContact O-N 3.36Å
596A37.5Very low37.7Very low57 Ų5796 Ų9647%0.47159%0.591SS.*Hα-helixtrans-67.3-41176.400000112.5Q592 A593 A599 N600Q592-A596 PolarHBondContact O-N 2.97Å; A593-A596 PolarHBondContact O-N 3.23Å; A596-A599 PolarHBondContact O-N 2.98Å; A596-N600 PolarHBondContact O-N 2.91Å
597V42.7Very low37.8Very low89 Ų8999.5 Ų99.554%0.53960%0.595SS.*Hα-helixtrans-64.6-45.3175.1173.20000110.9A593 A594 A599 N600 M601A593-V597 WeakPolarHBondContact O-CG2 3.39Å; A593-V597 PolarHBondContact O-N 3.27Å; A594-V597 PolarHBondContact O-N 3.34Å; V597-A599 VanDerWaalsContact C-N 3.32Å; V597-A599 PolarHBondContact O-N 2.98Å; V597-N600 PolarHBondContact O-N 3.22Å; V597-M601 HydrophobicContact CG1-CG 4.44Å; V597-M601 WeakPolarHBondContact O-CG 3.4Å; V597-M601 PolarHBondContact O-N 3.18Å
598A37.5Very low37.8Very low53 Ų5399.9 Ų99.944%0.43859%0.591SS.*Hα-helixtrans-60.3-40175.300000112.4A594 N600 M601 L602A594-A598 WeakPolarHBondContact O-CB 3.27Å; A594-A598 PolarHBondContact O-N 3.2Å; A598-N600 PolarHBondContact O-N 3.19Å; A598-M601 PolarHBondContact O-N 3.4Å; A598-L602 PolarHBondContact O-N 3.11Å
599A37.6Very low37.7Very low48 Ų4897 Ų9740%0.39759%0.588SS.*Hα-helixtrans-66.1-33.3176.600000113.2A595 A596 V597 R603A595-A599 WeakPolarHBondContact O-CB 3.48Å; A595-A599 PolarHBondContact O-N 3.36Å; A596-A599 PolarHBondContact O-N 2.98Å; V597-A599 VanDerWaalsContact C-N 3.32Å; V597-A599 PolarHBondContact O-N 2.98Å; A599-R603 WeakPolarHBondContact O-CB 3.38Å; A599-R603 PolarHBondContact O-N 2.67Å
600N40.3Very low37.4Very low100 Ų100100.3 Ų100.354%0.53560%0.6SS.*Hα-helixtrans-78.5-34.3173.9-86.3-10000113A596 V597 A598 R603 A604A596-N600 PolarHBondContact O-N 2.91Å; V597-N600 PolarHBondContact O-N 3.22Å; A598-N600 PolarHBondContact O-N 3.19Å; N600-R603 WeakPolarHBondContact O-CB 3.42Å; N600-R603 PolarHBondContact O-N 3.24Å; N600-R603 PolarHBondContact OD1-NH1 3.12Å; N600-A604 PolarHBondContact O-N 2.92Å
601M38.5Very low36.7Very low120 Ų120101.9 Ų101.959%0.59161%0.613SS**Hα-helixtrans-59.5-46.1170.7-73.1-72-15800111.6V597 A598 R603 A604 F605V597-M601 HydrophobicContact CG1-CG 4.44Å; V597-M601 WeakPolarHBondContact O-CG 3.4Å; V597-M601 PolarHBondContact O-N 3.18Å; A598-M601 PolarHBondContact O-N 3.4Å; M601-R603 VanDerWaalsContact C-N 3.28Å; M601-R603 PolarHBondContact O-N 3.29Å; M601-A604 PolarHBondContact O-N 3.07Å; M601-F605 PolarHBondContact O-N 3.48Å
602L43.7Very low36.3Very low131 Ų131107.9 Ų107.969%0.68663%0.63SS**Hα-helixtrans-63.3-32.9175.1-105.169.1000113A598 S606A598-L602 PolarHBondContact O-N 3.11Å; L602-S606 PolarHBondContact O-N 2.85Å; L602-S606 PolarHBondContact O-OG 3.39Å
603R37.4Very low35.6Very low167 Ų167108.3 Ų108.363%0.6364%0.637SS**Hα-helixtrans-69.8-36.5175.6-171.4172.2-73.5113.60.3111.8A599 N600 M601 S606A599-R603 WeakPolarHBondContact O-CB 3.38Å; A599-R603 PolarHBondContact O-N 2.67Å; N600-R603 WeakPolarHBondContact O-CB 3.42Å; N600-R603 PolarHBondContact O-N 3.24Å; N600-R603 PolarHBondContact OD1-NH1 3.12Å; M601-R603 VanDerWaalsContact C-N 3.28Å; M601-R603 PolarHBondContact O-N 3.29Å; R603-S606 PolarHBondContact O-N 3.46Å
604A37.1Very low35.2Very low74 Ų74109.8 Ų109.861%0.61265%0.649SS**Hα-helixtrans-68.5-32.5177.100000113.8N600 M601 S606N600-A604 PolarHBondContact O-N 2.92Å; M601-A604 PolarHBondContact O-N 3.07Å; A604-S606 VanDerWaalsContact C-N 3.34Å
605F38.2Very low35Very low189 Ų189112.6 Ų112.683%0.82966%0.66SS**Hα-helixtrans-79.8-11.4175-90.8-87.8000114.4M601 N607M601-F605 PolarHBondContact O-N 3.48Å; F605-N607 VanDerWaalsContact C-N 3.28Å; F605-N607 PolarHBondContact O-N 3.46Å
606S36.2Very low34.5Very low90 Ų90116.8 Ų116.863%0.62967%0.674SS**  trans-90.646.5-178.2-60.30000112.6L602 R603 A604 S608L602-S606 PolarHBondContact O-N 2.85Å; L602-S606 PolarHBondContact O-OG 3.39Å; R603-S606 PolarHBondContact O-N 3.46Å; A604-S606 VanDerWaalsContact C-N 3.34Å; S606-S608 PolarHBondContact O-N 3.32Å
607N32.1Very low34.2Very low137 Ų137122.3 Ų122.373%0.73370%0.695SS**  trans-77.860.9-176-163.288.5000112.8F605F605-N607 VanDerWaalsContact C-N 3.28Å; F605-N607 PolarHBondContact O-N 3.46Å
608S31.8Very low33.7Very low111 Ų111124.3 Ų124.378%0.77671%0.707SS**  trans-92.3108.2170.1-167.30000109.2S606 N610S606-S608 PolarHBondContact O-N 3.32Å; S608-N610 PolarHBondContact O-N 2.87Å
609T30.2Very low33.5Very low115 Ų115126.7 Ų126.771%0.70672%0.72SS**  trans-73.6112.4-172.948.60000112.2
610N30.4Very low33.2Very low146 Ų146131 Ų13178%0.78174%0.737SS**  trans-149.6106.9156.1-104.1-28.1000109.4S608 F612S608-N610 PolarHBondContact O-N 2.87Å; N610-F612 PolarHBondContact O-N 3.28Å
611S27.7Very low32.7Very low124 Ų124136.9 Ų136.987%0.86775%0.752SS**  trans-78108.3-179.8-61.10000110.9
612F29.8Very low32.2Very low195 Ų195135.6 Ų135.686%0.85575%0.754SS**  trans-105.4120159.9-89.8-84.1000110.1N610N610-F612 PolarHBondContact O-N 3.28Å
613N28Very low31.7Very low141 Ų141135.8 Ų135.875%0.75476%0.761SS**  trans-72.2130.4-179.1-179.70.4000110.2T615N613-T615 PolarHBondContact OD1-N 2.87Å
614A28Very low31.6Very low94 Ų94133.4 Ų133.478%0.77777%0.765SS**  trans-142.336.1-178.200000113.1
615T31.5Very low31.2Very low121 Ų121134.1 Ų134.174%0.74277%0.766SS**  trans-13654.9176.330.20000113.3N613N613-T615 PolarHBondContact OD1-N 2.87Å
616N28.3Very low30.9Very low150 Ų150132.2 Ų132.280%0.80276%0.764SS**  trans-164.2109.3152.4-123-87000112.1
617L31.1Very low30.7Very low174 Ų174132.5 Ų132.591%0.91177%0.766SS**  trans-171.381.5141.5-130.970.9000111.9
618T32.7Very low30.7Very low130 Ų130133.2 Ų133.280%0.79877%0.77SS**  trans-136.4113.1164.7-59.90000109.7
619S31.9Very low30.8Very low103 Ų103133.9 Ų133.972%0.7277%0.769SS**  trans50.397158.5-57.60000119.3
620N32Very low30.9Very low140 Ų140135.8 Ų135.875%0.74977%0.774SS**  -163.8150.2116.5-110.3-69000113.7
621R29.9Very low31Very low222 Ų222134.4 Ų134.484%0.83877%0.77SS**  trans19.2148.9146.1-69.3171.5-169-131.60.4120.6
622S29.3Very low31.2Very low93 Ų93133.5 Ų133.565%0.6576%0.764SS**  cis172.4171.5-1152.30000107.3
623V32.8Very low31.5Very low135 Ų135129.4 Ų129.482%0.81876%0.76SS**  trans71.6131167.8175.80000113.3
624T33.7Very low31.7Very low118 Ų118126.9 Ų126.972%0.72476%0.759SS**  cis-153.2165.9-4.1-113.70000112.8
625S30Very low32.2Very low89 Ų89128.7 Ų128.762%0.62277%0.766SS**  trans-35.2168.8177.4-410000121.9
626N31.6Very low32.3Very low149 Ų149126.8 Ų126.880%0.79777%0.77SS**  trans97.8143.7157.5-51.8-30000117.2
627S32.8Very low32.7Very low96 Ų96125.7 Ų125.767%0.67177%0.774SS**  cis-178.9152.3-32.1-102.80000110.7
628N31.1Very low32.9Very low152 Ų152126.4 Ų126.481%0.81377%0.773SS**  trans71.1165.5158.5-66.1-13000121.5
629V33.3Very low33Very low124 Ų124128.1 Ų128.175%0.75278%0.777SS**  trans80.196.8168.2-169.40000114.5
630L32.4Very low33.3Very low156 Ų156126.6 Ų126.682%0.81777%0.771SS**  76.4141.374.7-70.3164.7000112.6
631V32.7Very low33.5Very low116 Ų116127.9 Ų127.970%0.70378%0.778SS**  cis-161.1159.85.878.60000112.5
632S31.5Very low33.6Very low105 Ų105121.5 Ų121.573%0.73477%0.773SS**  trans61.2163.1158.9-65.90000118.8
633S35.8Very low33.8Very low109 Ų109124 Ų12476%0.76278%0.783SS**  cis-158135.9-4.528.70000106.4
634A33.8Very low33.7Very low89 Ų89124.8 Ų124.874%0.73678%0.778SS**  112.6147.753.500000110.1
635S37.1Very low33.8Very low132 Ų132126.8 Ų126.892%0.92378%0.783SS**  trans69.4135.3-179.4-51.80000117
636G34.4Very low33.9Very low81 Ų81129.7 Ų129.784%0.83579%0.786SS**  cis149.3122.1-14.500000114.6
637S36.3Very low34.1Very low127 Ų127126 Ų12689%0.88878%0.776SS**  trans-169.2158.3152.9-166.10000110.5
638Q36.2Very low34.1Very low189 Ų189129.4 Ų129.488%0.88379%0.787SS**  trans-126.1150.7-178.6-55.5177.913.700111.2
639N34.3Very low34.3Very low165 Ų165125.8 Ų125.888%0.88279%0.786SS**  -158.1166.1126.1-139.8-31.4000112.4
640A38.1Very low34.4Very low71 Ų71123.8 Ų123.859%0.58778%0.782SS**  trans-78.1173.6-174.800000112.3
641N35.7Very low34.4Very low167 Ų167124.5 Ų124.589%0.89378%0.781SS**  cis-134.8161.634.7-83-43.7000114.7
642A31.9Very low34.5Very low89 Ų89125.3 Ų125.374%0.73679%0.787SS**  trans-117.8152.1-178.200000113
643V34.3Very low34.4Very low144 Ų144124.6 Ų124.687%0.87378%0.782SS**  trans-143.3131.9145.9177.90000107.7
644Q30.5Very low34.2Very low152 Ų152126.4 Ų126.471%0.7178%0.782SS**  trans-114131.6176.1-79.5-177.6-96.600112.4
645I35.5Very low34.1Very low161 Ų161127.6 Ų127.683%0.82678%0.784SS**  trans-155.2114.8158.9-60.1-172.8000105.6
646Q32Very low33.8Very low149 Ų149125 Ų12570%0.69677%0.771SS**  cis78.1125.25.7-158.1152.3-39.700114.5
647A35.9Very low33.8Very low71 Ų71126.2 Ų126.259%0.58777%0.767SS**  cis-151.3174.622.800000114.6
648N33.8Very low33.5Very low168 Ų168128.3 Ų128.390%0.89876%0.762SS**  trans63.9151.2160.1-54.9-14.4000116.5
649G34.4Very low33.2Very low76 Ų76125 Ų12578%0.78476%0.755SS**  cis132.7139.51800000106.6
650A36Very low33.2Very low82 Ų82122.2 Ų122.268%0.67875%0.748SS**  cis-149.7143.722.700000110
651H33.2Very low32.9Very low171 Ų171125 Ų12579%0.79276%0.757SS**  59.3135.6103.8-52.7-61.8000119.3
652T33.1Very low32.8Very low133 Ų133122.9 Ų122.982%0.81676%0.756SS**  trans68.2148.4151.747.50000121.3
653S31Very low32.8Very low91 Ų91122.2 Ų122.264%0.63676%0.758SS**  cis175.1170.3-35.749.70000112
654I31.2Very low32.9Very low147 Ų147119.9 Ų119.975%0.75475%0.748SS**  trans83.4120.9156.8-56171.4000119.1
655S32.3Very low32.9Very low114 Ų114119.5 Ų119.580%0.79775%0.75SS**  trans59.6173.2149.8-67.60000121.8
656A30.5Very low33Very low78 Ų78118 Ų11865%0.64575%0.749SS**  cis179.5157.3-41.800000108.4
657S32.7Very low33.2Very low106 Ų106116.9 Ų116.974%0.74176%0.755SS**  trans65.3156.8172.1-640000115.4
658Q32Very low33Very low171 Ų171116.6 Ų116.680%0.79976%0.759SS**  cis-154.5159.8-14.4-117.2170.1-2.900110.1
659V29.1Very low32.8Very low120 Ų120115.3 Ų115.373%0.72776%0.757SS**  trans1.8128.1145.1-169.50000115.9
660S33.6Very low32.6Very low106 Ų106117.8 Ų117.874%0.74176%0.756SS**  -172.1128.594.5-69.90000116.6
661V31.5Very low32.2Very low128 Ų128122.6 Ų122.678%0.77677%0.765SS**  trans4.9158.7148.6-69.50000125.1
662S33.5Very low32Very low123 Ų123118.6 Ų118.686%0.8676%0.761SS**  trans76.6137.2165.4-56.20000115.7
663G31.8Very low31.7Very low75 Ų75116.7 Ų116.777%0.77375%0.753SS**  cis122.9139.119.200000107.9
664S36.4Very low31.7Very low95 Ų95120 Ų12066%0.66476%0.763SS**  cis-169.1164.711.956.90000110.1
665N32.2Very low31.6Very low144 Ų144118.4 Ų118.477%0.7777%0.765SS**  trans63.2147.6154.3-58.4-11.5000118.1
666T35.7Very low31.6Very low129 Ų129115.9 Ų115.979%0.79176%0.757SS**  cis-163.9172.6-14.816.60000107.2
667P36.9Very low31.6Very low127 Ų127118.2 Ų118.283%0.82576%0.763SS**  trans-99.6159.2-151.937.9-38.2000119
668G32.9Very low31.6Very low65 Ų65120.6 Ų120.667%0.6777%0.768SS**  trans-148.5128.515300000107.4
669V28.9Very low31.4Very low140 Ų140121 Ų12185%0.84877%0.77SS**  76139.264.4178.50000112.2
670V30.7Very low31.8Very low128 Ų128120 Ų12078%0.77677%0.766SS**  trans74105.3-167.9-167.40000111.8
671Q26.2Very low31.4Very low183 Ų183119.2 Ų119.286%0.85577%0.766SS**  92145.150.3179.2-179.4-41.600113
672A28.8Very low31.3Very low87 Ų87120.6 Ų120.672%0.71977%0.766SS**  trans77.6148.317300000116.3
673S27.7Very low31Very low93 Ų93119.1 Ų119.165%0.6576%0.76SS**  cis-170.9176.4-20.152.80000109.6
674L31.3Very low30.6Very low161 Ų161120.1 Ų120.184%0.84376%0.762SS**  trans70.4152.3165.3-56.4152.3000115.2
675S29.4Very low30.1Very low114 Ų114120 Ų12080%0.79777%0.766SS**  cis-163.1166.2-20.850.10000108.9
676G31.4Very low29.8Very low60 Ų60116.5 Ų116.562%0.61976%0.758SS**  trans117.361.5176.200000114.8
677T31.5Very low29.3Very low127 Ų127114.8 Ų114.878%0.77976%0.756SS**  79.5132.592.858.10000116.5
678N31.3Very low28.8Very low156 Ų156111.6 Ų111.683%0.83474%0.74SS**  trans84.160.8156.8-54.8-7.5000119.4
679Q28.1Very low28.5Very low180 Ų180112.9 Ų112.984%0.84175%0.745SS**  trans-84.5175.7134.9-94.6-131.8-15.200109.7
680P38.7Very low28.4Very low99 Ų99110.8 Ų110.864%0.64374%0.743SS**  cis-146.8-172.1-30.139-19.7000116
681A25.3Very low28.2Very low90 Ų90109.4 Ų109.474%0.74475%0.745SS**  trans75.8171.513800000121.7
682M28.9Very low28.4Very low157 Ų157106.6 Ų106.677%0.77374%0.739SS**  trans67.5103.3178.4-140.3155.4-70.500114.7L374L374-M682 HydrophobicContact CD2-SD 4.3Å
683A26.2Very low28.4Very low91 Ų91107.3 Ų107.375%0.75275%0.745SS**  cis84.2134.531.700000115.7
684A24.9Very low28.4Very low97 Ų97107.6 Ų107.680%0.80275%0.748SS**  trans71.6119.3169.800000120.1
685A24.9Very low28.3Very low91 Ų91108.1 Ų108.175%0.75275%0.745SS**  trans66.4152144.900000119.2
686A25.9Very low28.3Very low72 Ų72110.4 Ų110.460%0.59574%0.743SS**  cis-141.5177.7-0.800000110.8S372S372-A686 WeakPolarHBondContact OG-CB 3.16Å
687A26Very low28.2Very low92 Ų92114.8 Ų114.876%0.7675%0.745SS**  trans-79.9155.4171.800000112.6
688A26.2Very low28.7Very low60 Ų60113.5 Ų113.550%0.49674%0.739SS.*  trans-176.4156.2132.800000112.2V370V370-A688 HydrophobicContact CB-CB 4.1Å; V370-A688 HydrophobicContact CG1-CB 3.75Å; V370-A688 HydrophobicContact CG2-CB 3.27Å
689A26.6Very low28.5Very low92 Ų92111.4 Ų111.476%0.7673%0.732SS**  trans55.7120.4166.200000117.1
690A27.2Very low28.9Very low97 Ų97110.8 Ų110.880%0.80273%0.729SS**  cis72.7140.330.200000115.1
691A26.5Very low28.5Very low99 Ų99111.4 Ų111.482%0.81873%0.732SS**  trans66.1151.6-164.800000113.8
692V29.7Very low28.9Very low123 Ų123112.2 Ų112.275%0.74573%0.732SS**  cis-124.5142.42.7176.70000109.8
693A28.1Very low29.4Very low102 Ų102110.6 Ų110.684%0.84373%0.731SS**  trans-88102.1167.300000110.7
694S28.5Very low29.7Very low100 Ų100111.8 Ų111.870%0.69973%0.734SS**  trans-126.3114.6171.6-66.30000108.8
695Q29Very low30.5Very low171 Ų171112.6 Ų112.680%0.79973%0.731SS**  74.171.167.5-69.6-73.612.600114.1
696H28.6Very low31.1Very low163 Ų163114.2 Ų114.276%0.75573%0.731SS**  trans-176.9150.1158.3-103.953.9000106.1
697F31Very low31.7Very low151 Ų151117.2 Ų117.266%0.66274%0.742SS**  cis-169.6-172.9-3.5-137.3-135000106.3
698P40.8Very low32.1Very low100 Ų100120.6 Ų120.665%0.64974%0.744SS**  cis-97.6155.4-4511.112.5000110.5
699T28.4Very low32.3Very low112 Ų112122.2 Ų122.269%0.68775%0.751SS**  62149.267.173.90000117.1
700Q34.8Very low32.7Very low167 Ų167128.4 Ų128.478%0.7876%0.757SS**  trans93128.5-176.9-55.1-80.633.100116.5
701T31.8Very low32.9Very low112 Ų112131.6 Ų131.669%0.68776%0.76SS**  cis-171.5158.8-29.26.40000109.8
702S32.7Very low33.6Very low107 Ų107132.5 Ų132.575%0.74876%0.757SS**  trans65.7131.6152.2-170.70000118.4
703V39.1Very low33.6Very low124 Ų124132.9 Ų132.975%0.75276%0.755SS**  cis-152.3132.92.1-107.30000107.9
704S32.6Very low33.9Very low116 Ų116136.5 Ų136.581%0.81176%0.759SS**  73.4149.696.6-78.90000117.6
705P42.3Very low34.4Very low114 Ų114139 Ų13974%0.7477%0.765SS**  trans-128.4-170.8-141.143.5-28.9000114.7
706T38.5Very low34.4Very low125 Ų125135 Ų13577%0.76776%0.76SS**  169.9158.9129.4-66.10000110.2
707V37.1Very low34.5Very low134 Ų134131.6 Ų131.681%0.81276%0.761SS**  trans76.2136.9173.6-166.70000116.4
708M34.1Very low34.6Very low163 Ų163129.8 Ų129.880%0.80377%0.774SS**  cis-164.3127.5-35.1-170153.8-175.900110.7
709S30.4Very low34.1Very low94 Ų94129.7 Ų129.766%0.65778%0.781SS**  trans66150155.5-61.50000122.6
710Y35.2Very low34.3Very low222 Ų222128.6 Ų128.687%0.87178%0.784SS**  trans65.6111.1170.6-79.2-80.3000120
711L32.4Very low34.2Very low165 Ų165125.5 Ų125.586%0.86479%0.787SS**PPolyproline II helixtrans-75.8132.2166.7-74.463000109.6
712P40.7Very low34.2Very low118 Ų118125.1 Ų125.177%0.76680%0.795SS**PPolyproline II helixtrans-86.1157.8167.934.6-33.4000112.2
713D30.1Very low34.1Very low131 Ų131124.5 Ų124.570%0.70179%0.791SS**PPolyproline II helixtrans-74.5129.8-173.6-163.4-16.5000113.1N715D713-N715 PolarHBondContact O-N 3.4Å; D713-N715 VanDerWaalsContact O-N 3.13Å
714L33.7Very low33.9Very low178 Ų178126.6 Ų126.693%0.93279%0.794SS**THydrogen-bonded Turntrans-86.135.5-175.7-90.6169.3000113.5
715N39.5Very low34.3Very low152 Ų152127 Ų12781%0.81379%0.787SS**THydrogen-bonded Turntrans-142.70.4177.7-153.324.2000115.8D713D713-N715 PolarHBondContact O-N 3.4Å; D713-N715 VanDerWaalsContact O-N 3.13Å
716A29.8Very low34.2Very low86 Ų86127.9 Ų127.971%0.71179%0.793SS**SBendtrans-142.256.2-16700000115.3
717A30.7Very low33.9Very low92 Ų92131.6 Ų131.676%0.7680%0.795SS**  trans-134.1-8.6178.900000116.4A719A717-A719 PolarHBondContact O-N 2.99Å
718A31.5Very low34.1Very low113 Ų113132.7 Ų132.793%0.93480%0.795SS**THydrogen-bonded Turntrans-78.73.8-172.800000115.4
719A30.9Very low34.2Very low98 Ų98131.8 Ų131.881%0.8179%0.793SS**THydrogen-bonded Turntrans-111.7-1.3-165.700000115.7A717A717-A719 PolarHBondContact O-N 2.99Å
720A32Very low34.5Very low90 Ų90139 Ų13974%0.74481%0.806SS**SBendtrans-116.611.5-166.500000115.7
721A32.6Very low34.8Very low101 Ų101136.1 Ų136.184%0.83581%0.805SS**  trans-116.311.1-175.900000114.4S723A721-S723 VanDerWaalsContact C-N 3.34Å
722A33.2Very low35.2Very low105 Ų105132.3 Ų132.387%0.86880%0.798SS**SBendtrans-87.95.5-176.500000114.4
723S30.7Very low35Very low94 Ų94131.9 Ų131.966%0.65780%0.804SS**  trans-130.665.1-167.861.50000113.4A721A721-S723 VanDerWaalsContact C-N 3.34Å
724M34.3Very low35.3Very low168 Ų168128.6 Ų128.683%0.82880%0.801SS**SBendtrans-162.9126.6150.4-132.372.5-170.800112.5
725D40.7Very low35.2Very low123 Ų123131.3 Ų131.366%0.65880%0.8SS**  trans20.4100.3160.8-60.6-64.6000122.2Y727D725-Y727 VanDerWaalsContact C-N 3.26Å; D725-Y727 PolarHBondContact O-N 3.41Å; D725-Y727 VanDerWaalsContact O-N 3.09Å
726P40.4Very low35.1Very low134 Ų134128.8 Ų128.887%0.8780%0.8SS**THydrogen-bonded Turntrans-84.241.317236.8-37000113.8
727Y32.7Very low35.6Very low202 Ų202133 Ų13379%0.79281%0.809SS**THydrogen-bonded Turntrans-108.8-17.9-167.2-116.4-79.4000117.8D725D725-Y727 VanDerWaalsContact C-N 3.26Å; D725-Y727 PolarHBondContact O-N 3.41Å; D725-Y727 VanDerWaalsContact O-N 3.09Å
728L40.6Very low35.8Very low157 Ų157136.2 Ų136.282%0.82281%0.814SS**SBendtrans-110.1-14.5-163-110.9-65.6000117.6
729N35.8Very low36Very low144 Ų144138.6 Ų138.677%0.7781%0.811SS**THydrogen-bonded Turntrans-106.547.1-166.4-157.58.9000115.8
730R37.5Very low36.5Very low245 Ų245138.6 Ų138.693%0.92581%0.81SS**THydrogen-bonded Turntrans-108.8-1.9171.2-99.1-162.6-179.1-138.12.7115.7
731L42.4Very low36.6Very low163 Ų163140.8 Ų140.885%0.85381%0.814SS**SBendtrans-102.9-14.8-178.3-92.668.9000114.8A733L731-A733 PolarHBondContact O-N 3.43Å
732A39.3Very low36.9Very low85 Ų85142.1 Ų142.170%0.70281%0.812SS**THydrogen-bonded Turntrans-84.4-4.9-167.100000116.2
733A37.8Very low37Very low109 Ų109143 Ų14390%0.90181%0.807SS**THydrogen-bonded Turntrans-107.325.5-168.600000114.8L731L731-A733 PolarHBondContact O-N 3.43Å
734G35.4Very low37.6Very low61 Ų61144.3 Ų144.363%0.62981%0.811SS**SBendtrans-109.5-9.5-170.400000117.7
735Y32.6Very low37.9Very low236 Ų236142.1 Ų142.193%0.92581%0.809SS**  trans-139.587.3-167.1-74.3-88.6000113.1
736A37.1Very low37.8Very low98 Ų98140 Ų14081%0.8181%0.809SS**SBendtrans-164.919.816800000117.9
737I40.2Very low37.9Very low175 Ų175140.9 Ų140.990%0.89780%0.804SS**  trans-147.9105.116814.9175.3000112.2
738N35.1Very low38.2Very low160 Ų160141 Ų14186%0.85681%0.805SS**  trans-107.4173.1166.9-91.5-55.2000109.9
739N33.9Very low38.2Very low163 Ų163144.9 Ų144.987%0.87281%0.809SS**  trans73.768.2174.9-63.916.9000117.2
740A41.9Very low38.7Very low97 Ų97143.5 Ų143.580%0.80281%0.806SS**  trans-142.4122141.400000109.3V742A740-V742 PolarHBondContact O-N 3.39Å
741V34.6Very low38.5Very low136 Ų136139.3 Ų139.382%0.82480%0.802SS**  trans-84.8113.2-177.3175.50000110.2T743V741-T743 HydrophobicContact CG1-CG2 4.46Å
742V38.5Very low38.5Very low129 Ų129136.2 Ų136.278%0.78279%0.794SS**  trans-136.7116.4163.3-178.50000109.1A740A740-V742 PolarHBondContact O-N 3.39Å
743T36.3Very low38.6Very low125 Ų125137.7 Ų137.777%0.76780%0.799SS**  trans-92.798.3-17649.60000112.1V741V741-T743 HydrophobicContact CG1-CG2 4.46Å
744T42.1Very low38.7Very low121 Ų121142.7 Ų142.774%0.74280%0.796SS**  trans-161.5127.3159.51.50000110.9A746T744-A746 PolarHBondContact O-N 2.85Å
745P41.1Very low39.3Very low122 Ų122148 Ų14879%0.79280%0.804SS**  trans-83.5102.7-176.931.4-33.1000112.3I747P745-I747 PolarHBondContact O-N 3.5Å
746A37.7Very low39.9Very low79 Ų79147 Ų14765%0.65380%0.799SS**  trans-75.2107.5168.200000110.4T744 Y748T744-A746 PolarHBondContact O-N 2.85Å; A746-Y748 HydrophobicContact CB-CE2 4.43Å; A746-Y748 PolarHBondContact O-N 3.36Å
747I44Very low40.4Very low151 Ų151151.1 Ų151.177%0.77480%0.799SS**  trans-73.990.7-178.1-55.3178.6000110.6P745 R749P745-I747 PolarHBondContact O-N 3.5Å; I747-R749 HydrophobicContact CG2-CG 4.37Å; I747-R749 PolarHBondContact O-N 3.25Å; I747-R749 VanDerWaalsContact O-N 3.09Å
748Y37.8Very low40.5Very low205 Ų205147 Ų14780%0.80479%0.785SS**  trans-7293.7165.4-83.3-91.5000110.4A746 T750A746-Y748 HydrophobicContact CB-CE2 4.43Å; A746-Y748 PolarHBondContact O-N 3.36Å; Y748-T750 PolarHBondContact O-N 3.05Å
749R41.2Very low41.7Very low238 Ų238145.4 Ų145.490%0.89878%0.784SS**  trans-70.592.6164.1-87.7-174.8169.6165.6-2.5109.9I747I747-R749 HydrophobicContact CG2-CG 4.37Å; I747-R749 PolarHBondContact O-N 3.25Å; I747-R749 VanDerWaalsContact O-N 3.09Å
750T47.1Very low42.4Very low116 Ų116152.1 Ų152.171%0.71280%0.799SS**  trans-68.4125.8163.443.30000109.5Y748 S752Y748-T750 PolarHBondContact O-N 3.05Å; T750-S752 PolarHBondContact O-N 3.29Å; T750-S752 VanDerWaalsContact O-N 3.12Å
751N32.7Very low42.4Very low157 Ų157154.9 Ų154.984%0.8480%0.799SS**  trans-78.997.2174.8-171.6-12.8000109.2
752S41.8Very low42.9Very low98 Ų98155.8 Ų155.869%0.68580%0.798SS**  trans-15145.6177.5-64.50000112T750 Y754T750-S752 PolarHBondContact O-N 3.29Å; T750-S752 VanDerWaalsContact O-N 3.12Å; S752-Y754 PolarHBondContact O-N 2.96Å; S752-Y754 VanDerWaalsContact O-N 3.15Å
753S41.2Very low43.1Very low115 Ų115157.3 Ų157.380%0.80480%0.799SS**  trans-84.575.9171.9-70.60000111.4
754Y41Very low43.5Very low214 Ų214159.2 Ų159.284%0.83980%0.8SS**  trans-147.937.9166.2-125.4-77.7000113.6S752S752-Y754 PolarHBondContact O-N 2.96Å; S752-Y754 VanDerWaalsContact O-N 3.15Å
755Q47.2Very low43.6Very low174 Ų174161.6 Ų161.681%0.81380%0.804SS**  trans-90.4111.2162.9-79.7-173.2-23.600109.9F757Q755-F757 PolarHBondContact O-N 3.42Å
756R44.7Very low43.7Very low213 Ų213164.3 Ų164.380%0.80481%0.805SS**  trans-69.5119.1168.1-73.8169.2160-112.53.1109.1
757F47.9Very low44.2Very low185 Ų185170.4 Ų170.481%0.81182%0.816SS**  trans-113.5109.6151.7-88.1-86.6000108Q755Q755-F757 PolarHBondContact O-N 3.42Å
758S43.2Very low44.2Very low88 Ų88171.8 Ų171.862%0.61582%0.819SS**  trans-73.1137164.1-58.60000108.2Y760S758-Y760 PolarHBondContact O-N 3.41Å
759P59.3Low44.7Very low128 Ų128169.1 Ų169.183%0.83182%0.82SS**  trans-73125.9172.629.8-32.6000110.5
760Y49.5Very low45.1Very low303 Ų303162.8 Ų162.8100%1.18881%0.813SS**  trans-141.90160-100.5-70.9000107.2S758S758-Y760 PolarHBondContact O-N 3.41Å

Retrieved 760 of 760 residues in 351.2 ms (Link to these results)