A0A087Y9G1_POEFO Loading...

Rho GTPase activating protein 39

AlphaFold DB , UniProt , Accession A0A087Y9G1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 569 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
1M34.5Very low35.2Very low191 Ų191116.4 Ų116.494%0.94155%0.547SS*.  0-43.20-73.3-178.8178.100113.3N3 S4M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.49Å; M1-S4 WeakPolarHBondContact O-CA 3.31Å; M1-S4 VanDerWaalsContact O-CB 3.24Å; M1-S4 WeakPolarHBondContact O-CB 3.44Å; M1-S4 PolarHBondContact O-N 3.21Å; M1-S4 PolarHBondContact O-OG 3.37Å
2Y29.1Very low34.9Very low134 Ų134112.1 Ų112.153%0.52554%0.535SS..G310 helixtrans-54.6-40.6177.3-68.5-71.9000114.1S4 F5 L563Y2-S4 PolarHBondContact O-N 3.36Å; Y2-F5 PolarHBondContact O-N 3.34Å; Y2-L563 HydrophobicContact CD1-CD2 4.45Å; Y2-L563 HydrophobicContact CG-CD2 4.47Å
3N27.6Very low34.6Very low143 Ų143108.5 Ų108.577%0.76553%0.529SS*.G310 helixtrans-59.8-6.3171.4-85-27.5000115.5M1 P7M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.49Å; N3-P7 WeakPolarHBondContact O-CD 3.42Å; N3-P7 WeakPolarHBondContact O-CG 3.37Å
4S32.7Very low34.9Very low72 Ų72110 Ų11050%0.50356%0.556SS.*G310 helixtrans-97.8-2.3179.1-49.30000113.7M1 Y2 Y8M1-S4 WeakPolarHBondContact O-CA 3.31Å; M1-S4 VanDerWaalsContact O-CB 3.24Å; M1-S4 WeakPolarHBondContact O-CB 3.44Å; M1-S4 PolarHBondContact O-N 3.21Å; M1-S4 PolarHBondContact O-OG 3.37Å; Y2-S4 PolarHBondContact O-N 3.36Å; S4-Y8 WeakPolarHBondContact O-CD2 3.39Å
5F36.3Very low35Very low152 Ų152114.1 Ų114.167%0.66757%0.569SS**THydrogen-bonded Turntrans-105.3-47.2175.7-108.9-96.8000112.6Y2 Y8 L9Y2-F5 PolarHBondContact O-N 3.34Å; F5-Y8 PolarHBondContact O-N 3.09Å; F5-Y8 VanDerWaalsContact O-N 3.12Å; F5-L9 PolarHBondContact O-N 3.13Å
6F37.6Very low35.4Very low56 Ų56119.3 Ų119.325%0.24658%0.579CS.*Hα-helixtrans-53.9-49.4-179.2-76.3-87.9000115.2Y8 L9 F10 F559 L563F6-Y8 PolarHBondContact O-N 3.27Å; F6-L9 PolarHBondContact O-N 3.45Å; F6-F10 HydrophobicContact CD1-CE2 4.36Å; F6-F10 PolarHBondContact O-N 3.5Å; F6-F559 HydrophobicContact CE1-CB 3.78Å; F6-F559 HydrophobicContact CE1-CD1 4.21Å; F6-F559 AromaticContact CE1-CD2 3.72Å; F6-F559 HydrophobicContact CE1-CD2 3.72Å; F6-F559 HydrophobicContact CE1-CE2 4.27Å; F6-F559 AromaticContact CE1-CG 3.67Å; F6-F559 HydrophobicContact CE1-CG 3.67Å; F6-F559 HydrophobicContact CZ-CB 3.8Å; F6-F559 AromaticContact CZ-CD1 3.65Å; F6-F559 HydrophobicContact CZ-CD1 3.65Å; F6-F559 HydrophobicContact CZ-CD2 4.03Å; F6-F559 HydrophobicContact CZ-CE1 4.14Å; F6-F559 HydrophobicContact CZ-CE2 4.47Å; F6-F559 AromaticContact CZ-CG 3.58Å; F6-F559 HydrophobicContact CZ-CG 3.58Å; F6-L563 HydrophobicContact CE2-CD1 3.94Å; F6-L563 HydrophobicContact CZ-CD1 4.05Å
7P37.9Very low35.5Very low67 Ų67124.5 Ų124.544%0.43559%0.592SS.*Hα-helixtrans-69.9-12.7-17928.3-35.6000113.6N3 R11N3-P7 WeakPolarHBondContact O-CD 3.42Å; N3-P7 WeakPolarHBondContact O-CG 3.37Å; P7-R11 WeakPolarHBondContact O-CB 3.36Å; P7-R11 PolarHBondContact O-N 3.35Å
8Y37.3Very low35.4Very low176 Ų176123.8 Ų123.869%0.6959%0.592SS**Hα-helixtrans-84.3-35.8172.5-73.8-95.1000111.8S4 F5 F6S4-Y8 WeakPolarHBondContact O-CD2 3.39Å; F5-Y8 PolarHBondContact O-N 3.09Å; F5-Y8 VanDerWaalsContact O-N 3.12Å; F6-Y8 PolarHBondContact O-N 3.27Å
9L41.3Very low35.9Very low70 Ų70125.3 Ų125.337%0.36661%0.61SS.*Hα-helixtrans-67.2-38.5177.9-141.990000112.5F5 F6F5-L9 PolarHBondContact O-N 3.13Å; F6-L9 PolarHBondContact O-N 3.45Å
10F37.3Very low36Very low83 Ų83122.6 Ų122.636%0.36462%0.617SS.*THydrogen-bonded Turntrans-96.3-2.8-176-71.2-75.5000114.8F6 F538 V555 C556F6-F10 HydrophobicContact CD1-CE2 4.36Å; F6-F10 PolarHBondContact O-N 3.5Å; F10-F538 HydrophobicContact CE1-CE1 4.05Å; F10-F538 HydrophobicContact CE1-CZ 4.12Å; F10-V555 HydrophobicContact CZ-CG1 4.3Å; F10-C556 VanDerWaalsContact CZ-SG 3.54Å
11R35.7Very low35.9Very low136 Ų136123.4 Ų123.451%0.51363%0.628SS.*THydrogen-bonded Turntrans-106.9-7.2179.2-161.9168.8-173.9171.75.3114.5P7P7-R11 WeakPolarHBondContact O-CB 3.36Å; P7-R11 PolarHBondContact O-N 3.35Å
12T30.8Very low36.5Very low65 Ų65124.4 Ų124.440%0.39963%0.627SS.*SBendtrans-74.2122.3156.853.50000108.4W17T12-W17 HydrophobicContact CG2-CZ2 4.18Å
13S31.3Very low37Very low66 Ų66124.8 Ų124.846%0.46263%0.634SS.*  trans-70.9172.6-170.156.60000113.6F15S13-F15 PolarHBondContact O-N 3.1Å
14S38.7Very low37.9Very low129 Ų129127.8 Ų127.890%0.90263%0.634SS**SBendtrans-63.519176-42.10000115.4R16S14-R16 PolarHBondContact O-N 3.25Å
15F36.2Very low38.1Very low171 Ų171130.4 Ų130.475%0.7564%0.64SS**  trans-71119.5171.1-93.4-100.8000109.8S13 W17S13-F15 PolarHBondContact O-N 3.1Å; F15-W17 PolarHBondContact O-N 3.22Å; F15-W17 VanDerWaalsContact O-N 3.16Å
16R41.2Very low38.5Very low197 Ų197131.5 Ų131.574%0.74365%0.652SS**  trans-54.3120.6172.6-64.9175.462.5-144.4-5.5109.2S14 N18S14-R16 PolarHBondContact O-N 3.25Å; R16-N18 PolarHBondContact O-N 3.18Å
17W38.6Very low38.8Very low209 Ų209133.1 Ų133.179%0.79266%0.662SS**  trans-67.974.1171.6-70.797.6000110.8T12 F15 T19T12-W17 HydrophobicContact CG2-CZ2 4.18Å; F15-W17 PolarHBondContact O-N 3.22Å; F15-W17 VanDerWaalsContact O-N 3.16Å; W17-T19 PolarHBondContact O-N 3.39Å
18N33.1Very low39.1Very low111 Ų111139.1 Ų139.159%0.59468%0.682SS**  trans-67.7124.1164.9-71.7-61.8000108.1R16 G20R16-N18 PolarHBondContact O-N 3.18Å; N18-G20 PolarHBondContact O-N 3.39Å
19T44.2Very low39.2Very low152 Ų152134.3 Ų134.393%0.93367%0.67SS**THydrogen-bonded Turntrans-63.6101.1177.148.10000110.3W17W17-T19 PolarHBondContact O-N 3.39Å
20G38.1Very low39Very low72 Ų72136.9 Ų136.974%0.74269%0.689SS**THydrogen-bonded Turntrans-162.7-52.5-17800000115.3N18N18-G20 PolarHBondContact O-N 3.39Å
21T34.9Very low39Very low140 Ų140139.8 Ų139.886%0.85971%0.708SS**  trans-125.4101.9-165.1-1.10000113.2E23T21-E23 PolarHBondContact O-N 3.1Å
22K46Very low38.8Very low211 Ų211144.5 Ų144.592%0.91773%0.726SS**  trans-85.980.8165.2-76.8-174.6173.7-177.40110.4
23E40.7Very low39.2Very low142 Ų142148.6 Ų148.666%0.66474%0.741SS**  trans-156.6137158.5-115.7-178.2-90.200114.2T21T21-E23 PolarHBondContact O-N 3.1Å
24R46.5Very low39.5Very low207 Ų207150.2 Ų150.278%0.78175%0.75SS**  trans4199.1157.9-56.9174.7-147.6-104.1-5.5118.4
25M36.7Very low39.1Very low127 Ų127149.2 Ų149.263%0.62674%0.743SS**  trans-122.987.7156.3-161-168.2-53.200110.3I27M25-I27 HydrophobicContact CG-CG1 4.36Å; M25-I27 HydrophobicContact SD-CD1 4.25Å
26L44.6Very low39Very low174 Ų174150.7 Ų150.791%0.91175%0.749SS**  trans-94.4100.4174.9-76.7169.6000109.8K28L26-K28 PolarHBondContact O-N 3.11Å
27I43.3Very low38.8Very low91 Ų91148.5 Ų148.547%0.46775%0.752SS.*  trans-84.2110175.6-60.7174.7000108.7M25M25-I27 HydrophobicContact CG-CG1 4.36Å; M25-I27 HydrophobicContact SD-CD1 4.25Å
28K44.6Very low38.5Very low193 Ų193143.9 Ų143.984%0.83975%0.746SS**  trans-67.9134.3170.1-171.3175.5-178.9-1780109.2L26L26-K28 PolarHBondContact O-N 3.11Å
29V38.5Very low38.6Very low75 Ų75147.9 Ų147.946%0.45576%0.761SS.*  trans-120.8121.5179.5-166.20000108.4
30T38.9Very low38.2Very low123 Ų123149.8 Ų149.876%0.75576%0.759SS**  trans-91.1113.9165.949.60000107.8
31D37.2Very low37.8Very low145 Ų145150 Ų15078%0.77576%0.761SS**  trans-74.2150.5175.2-119.9-45.2000111.6
32R31.7Very low37.8Very low235 Ų235151.6 Ų151.689%0.88776%0.764SS**  trans-141.984.3178.9-169.6179.8179.4105.50.2110.1
33E38.8Very low37.1Very low151 Ų151144.7 Ų144.771%0.70675%0.753SS**  trans-51133.5176.9-72.2-66.8162.900113.2S35E33-S35 PolarHBondContact O-N 3.18Å
34P36.1Very low36.7Very low100 Ų100149.6 Ų149.665%0.64977%0.767SS**  trans-87.387.917034-31.2000110.7F36P34-F36 PolarHBondContact O-N 3.46Å
35S32.1Very low36Very low108 Ų108144.8 Ų144.876%0.75577%0.765SS**  trans-61.3124.6178.9-53.30000113.2E33E33-S35 PolarHBondContact O-N 3.18Å
36F33.3Very low35.5Very low202 Ų202146.8 Ų146.889%0.88678%0.778SS**  trans-118.9140.4159.8-79.9-80.3000110.4P34P34-F36 PolarHBondContact O-N 3.46Å
37L36.1Very low35Very low151 Ų151143.3 Ų143.379%0.79177%0.767SS**  trans-99.8138.7-165.3-87.7168.6000113.8
38T32.4Very low34.2Very low111 Ų111148.3 Ų148.368%0.68179%0.789SS**  trans15127.5145.958.30000119.6
39H35.1Very low33.7Very low195 Ų195144.1 Ų144.190%0.90378%0.783SS**  trans-106.4142.8139.3-85.1-96.9000109.8
40Q37.7Very low33.8Very low193 Ų193145.9 Ų145.990%0.90280%0.796SS**  trans-104.4151.6173.4-64.4-170.478.700110.4
41G29.6Very low33.6Very low75 Ų75146.2 Ų146.277%0.77380%0.798SS**  trans173.6102.2173.700000114.5
42N33.8Very low33.8Very low174 Ų174145.6 Ų145.693%0.9380%0.802SS**  trans-43.2154.6-178.6-65.7-5.4000117.6
43G31.1Very low33.7Very low66 Ų66138.2 Ų138.268%0.6880%0.799SS**  trans-166.530175.700000120.3
44Y32.1Very low33.3Very low245 Ų245135.2 Ų135.296%0.96181%0.809SS**  trans68.2171.9171.5-63.3-83000118.3
45S31.8Very low33.1Very low106 Ų106134 Ų13474%0.74182%0.815SS**  trans-147.1146.5-162171.30000111.3
46L27Very low33Very low169 Ų169135.9 Ų135.989%0.88582%0.816SS**  trans-156.5141.4132.8-162.259.5000110.7
47C32.9Very low33Very low102 Ų102131.8 Ų131.869%0.68981%0.808SS**  trans-93.4140.5168.4-62.10000109.9
48E27.6Very low32.9Very low196 Ų196132 Ų13292%0.91681%0.809SS**  178167.1114.5-98.4-169.2135.100113.1
49S33Very low32.8Very low104 Ų104138.6 Ų138.673%0.72782%0.821SS**  trans-138.4147.6173.8-167.20000104.8
50P41.9Very low32.7Very low112 Ų112136.1 Ų136.173%0.72782%0.815SS**  cis-144-179.939.841.2-21.4000117.2
51T34.5Very low32.4Very low130 Ų130137.9 Ų137.980%0.79881%0.813SS**  trans-67.2149.2162.748.80000111.1
52P40.8Very low32.7Very low132 Ų132142.7 Ų142.786%0.85782%0.816SS**  -143.7150.291.737.5-22.7000115.3
53G29.4Very low32.6Very low80 Ų80139.8 Ų139.883%0.82581%0.808SS**  trans175.4108171.700000111.9
54G30Very low32.8Very low89 Ų89142.2 Ų142.292%0.91882%0.815SS**  trans-87.6146.4-179.500000113
55G31.8Very low32.8Very low74 Ų74134.7 Ų134.776%0.76381%0.812SS**  trans-169.469.4-174.700000116.1
56N31.7Very low32.9Very low148 Ų148133.1 Ų133.179%0.79181%0.812SS**  trans37.3111.8150.1-64.7-4.2000121.7
57T32.7Very low33.5Very low115 Ų115133.1 Ų133.171%0.70681%0.814SS**  trans57122.213062.10000122.2
58L32.9Very low34.2Very low157 Ų157134 Ų13482%0.82282%0.818SS**  trans55114.1130.3-58.4170.8000119.6
59R32.1Very low35.3Very low248 Ų248130.2 Ų130.294%0.93681%0.81SS**  -170139.1107.4-100.6157.5-172.6-153.90.2112.6
60N32.2Very low35.4Very low144 Ų144130.9 Ų130.977%0.7782%0.815SS**  trans-83.4150.1168.8-169.123.7000110.2
61R30.8Very low35.2Very low229 Ų229134.2 Ų134.286%0.86482%0.821SS**  trans-86.9137178.5-81-173.9170.3-155.2-0.3111.9
62H35.5Very low36.2Very low177 Ų177132.3 Ų132.382%0.81981%0.81SS**  trans-140159.4151.6-79.4-75.3000109.3
63S33.2Very low35.9Very low112 Ų112133.7 Ų133.778%0.78381%0.811SS**  trans-106.5128.4-154.6-53.10000115.7
64S35.3Very low36Very low118 Ų118134 Ų13483%0.82581%0.814SS**  trans37.9124.1138.761.40000122.9
65G31.5Very low36.4Very low87 Ų87135.3 Ų135.390%0.89781%0.809SS**  trans109.2128.6148.600000115.5
66G33.1Very low37.7Very low72 Ų72137.1 Ų137.174%0.74281%0.807SS**  cis-165.2167.4-4.500000111.2
67N40.3Very low38Very low170 Ų170136.1 Ų136.191%0.90981%0.806SS**  trans-98.8153.2-164.6-69.2-16.4000115.9
68P47.7Very low38.1Very low119 Ų119136.8 Ų136.877%0.77381%0.805SS**  trans-106.7176.1166.741.3-34.3000113.8
69P51.9Low38.2Very low118 Ų118139 Ų13977%0.76680%0.804SS**  trans-129137.4166.337.1-22.3000117
70S34.4Very low38.2Very low117 Ų117132.3 Ų132.382%0.81880%0.795SS**  trans56.3105.1140.6-49.20000124.5
71E36.7Very low38.3Very low182 Ų182131.7 Ų131.785%0.8579%0.792SS**  15.8168.2120.3-71.7-140148.400124.2
72P55.8Low38.4Very low90 Ų90132 Ų13258%0.58479%0.793SS**  cis-138.7-179.8-12.127.9-4.4000117.1
73N34.6Very low38.8Very low162 Ų162134.3 Ų134.387%0.86679%0.794SS**  trans123.6135.5144.9-69.1-54.6000118.3
74G31.9Very low38.9Very low86 Ų86138.2 Ų138.289%0.88780%0.8SS**  trans134.8119.3167.900000114.8
75S38.2Very low39.3Very low117 Ų117137.8 Ų137.882%0.81880%0.797SS**  trans-136-175.8-179.868.50000109.8
76P58.4Low40.3Very low111 Ų111139.6 Ų139.672%0.72179%0.793SS**  cis-137.9-142.9341.2-19.4000114
77V37.7Very low40.3Very low127 Ų127146.6 Ų146.677%0.7780%0.798SS**  trans88.5131.8168.7-171.80000116.9
78L36.7Very low40.4Very low129 Ų129145.4 Ų145.468%0.67579%0.791SS**  cis-173.9149.9-39.4-113173000110
79Y34.6Very low40Very low205 Ų205147.4 Ų147.480%0.80479%0.788SS**  trans61.5149.9166.5-67.8-62.8000119
80S32.3Very low39.2Very low107 Ų107150.3 Ų150.375%0.74878%0.783SS**  cis-160.7165.2-26.2-146.50000112.1
81D33.1Very low39.3Very low131 Ų131149 Ų14970%0.70178%0.78SS**  trans-74.3143.5173166.655.2000113.7
82R33.5Very low39.1Very low235 Ų235147.1 Ų147.189%0.88777%0.771SS**  -168.6144.1129.1-111.8176.7178.6-170.2-1.1115
83R43.4Very low38.4Very low225 Ų225150.8 Ų150.885%0.84979%0.785SS**  trans-81144.7164.7-60.5170.9172.9-1030.7111.6
84Q35.8Very low38.3Very low195 Ų195146 Ų14691%0.91177%0.773SS**  trans-169.1165.9131.2-111.3167-2.300113.3
85S44.5Very low38.4Very low108 Ų108147.9 Ų147.976%0.75577%0.773SS**  trans-92.1161.117549.80000112
86P52.5Low38.3Very low126 Ų126147.8 Ų147.882%0.81877%0.772SS**  trans-123139154.435.1-24.3000113
87Y32.3Very low37.1Very low218 Ų218145.5 Ų145.586%0.85577%0.769SS**  trans-126.1146165.7-136.2-78.1000105.5
88L41.5Very low37Very low145 Ų145145.4 Ų145.476%0.75977%0.769SS**  trans71152.4173.7-53.7-175.1000116.6
89K40.1Very low37.1Very low161 Ų161148 Ų14870%0.778%0.777SS**  cis-172.6155-26.7-159.5-173.6-168.91690110.9
90R35Very low37.2Very low179 Ų179149.4 Ų149.468%0.67578%0.781SS**  trans69.6117.5148.7178.5-172-85134.1-10.5120.6E92R90-E92 VanDerWaalsContact CD-OE1 3.23Å; R90-E92 WeakPolarHBondContact CD-OE1 3.39Å; R90-E92 HydrophobicContact CG-CG 3.69Å; R90-E92 IonicContact CZ-OE1 3.97Å; R90-E92 IonicContact NE-OE1 2.94Å; R90-E92 PolarHBondContact NE-OE1 3.41Å
91A36.3Very low37.6Very low91 Ų91155.7 Ų155.775%0.75279%0.788SS**  -149.1123.3109.900000107.2
92E33.4Very low38.4Very low142 Ų142155 Ų15566%0.66479%0.792SS**  65.4126.177.4-42-10815100110.1R90R90-E92 VanDerWaalsContact CD-OE1 3.23Å; R90-E92 WeakPolarHBondContact CD-OE1 3.39Å; R90-E92 HydrophobicContact CG-CG 3.69Å; R90-E92 IonicContact CZ-OE1 3.97Å; R90-E92 IonicContact NE-OE1 2.94Å; R90-E92 PolarHBondContact NE-OE1 3.41Å
93L40.1Very low38.4Very low167 Ų167149.6 Ų149.687%0.87479%0.79SS**  cis-155.615422.3-165.970.9000109.3
94G32.5Very low38.1Very low60 Ų60145.1 Ų145.162%0.61979%0.787SS**  cis178.1-178.3-5.900000112.5
95S33.8Very low38.4Very low127 Ų127144.1 Ų144.189%0.88878%0.783SS**  trans64.1140.4172.2-66.90000119.4
96S36.7Very low38.1Very low114 Ų114144.8 Ų144.880%0.79779%0.787SS**  cis-167.3146.7-6.948.50000112.9
97G33.7Very low38Very low63 Ų63147 Ų14765%0.64979%0.787SS**  trans80.3110.1165.800000115.9
98T35.2Very low39Very low125 Ų125142.1 Ų142.177%0.76778%0.782SS**  63.2130.663.175.50000113.7
99H38Very low39.2Very low184 Ų184141.1 Ų141.185%0.85278%0.784SS**  cis-137.6174.624.3-86.9-92.4000115.2
100R38Very low39.6Very low235 Ų235138.2 Ų138.289%0.88778%0.784SS**  trans-91.8148.1173.9-62.5174173.2174.5-4.1112.7
101R40.6Very low40.5Very low238 Ų238135.6 Ų135.690%0.89879%0.79SS**  -178.5146.4108.8-100.1-177.5-174.5-158.12.7112.4
102P49.4Very low41.2Very low118 Ų118142.7 Ų142.777%0.76680%0.797SS**  trans-97.8148.8165.336.7-30.6000112.1
103S32.7Very low41.7Very low121 Ų121146.4 Ų146.485%0.84681%0.807SS**  trans-154.8163.6164.4-74.20000110.7
104T38.1Very low42.2Very low131 Ų131143.3 Ų143.380%0.80481%0.806SS**  trans-92.7176-171.846.90000113.2
105E41.1Very low42.8Very low173 Ų173148.5 Ų148.581%0.80881%0.811SS**  trans75.1106.7161.9-144.464.7-107.900117.9
106S38.2Very low44.3Very low122 Ų122150.6 Ų150.685%0.85381%0.807SS**  trans179.2146142.3-81.80000111.5
107Q51.4Low45.5Very low174 Ų174149.5 Ų149.581%0.81380%0.797SS**PPolyproline II helixtrans-66.6157-174.8-60.6165.4-80.700113.4
108P52.3Low47Very low115 Ų115151.6 Ų151.675%0.74780%0.8SS**PPolyproline II helixtrans-61.1138.5157.529.2-34.3000109.6S110P108-S110 PolarHBondContact O-N 3.12Å
109P46Very low48Very low124 Ų124154 Ų15481%0.80581%0.806SS**PPolyproline II helixtrans-70.1126.9-175.227.3-34.2000111.7
110S48.9Very low49.2Very low99 Ų99155 Ų15569%0.69280%0.804SS**PPolyproline II helixtrans-57.1134.6169.4-55.90000110.5P108 R112P108-S110 PolarHBondContact O-N 3.12Å; S110-R112 PolarHBondContact O-N 2.64Å
111P53.6Low50.8Low124 Ų124152.4 Ų152.481%0.80580%0.802SS**  trans-71.990.1-175.428.8-35.3000111.7Y113P111-Y113 VanDerWaalsContact C-N 3.33Å; P111-Y113 PolarHBondContact O-N 3.4Å; P111-Y113 VanDerWaalsContact O-N 3.12Å
112R50.4Low52Low240 Ų240149 Ų14991%0.90680%0.797SS**  trans-78.284.3162.6-81.4-170.5176155.4-0.5110S110S110-R112 PolarHBondContact O-N 2.64Å
113Y45.2Very low52.8Low220 Ų220147.5 Ų147.586%0.86379%0.787SS**  trans-114.9111151.4-85.9-84.1000108.3P111 F115P111-Y113 VanDerWaalsContact C-N 3.33Å; P111-Y113 PolarHBondContact O-N 3.4Å; P111-Y113 VanDerWaalsContact O-N 3.12Å; Y113-F115 PolarHBondContact O-N 2.79Å
114A50Low53.9Low103 Ų103147.4 Ų147.485%0.85178%0.783SS**  trans-69107.6165.100000107.1E116A114-E116 VanDerWaalsContact C-N 3.31Å; A114-E116 PolarHBondContact O-N 3.2Å; A114-E116 VanDerWaalsContact O-N 3.12Å
115F45Very low54.8Low169 Ų169146.6 Ų146.674%0.74178%0.783SS**  trans-8088169.2-173.6-95.3000107.8Y113 P117Y113-F115 PolarHBondContact O-N 2.79Å; F115-P117 HydrophobicContact CE1-CB 4.31Å
116E65.9Low55.5Low170 Ų170145.5 Ų145.579%0.79478%0.783SS**PPolyproline II helixtrans-68.1120.9162.9-159167.6-130.800107A114A114-E116 VanDerWaalsContact C-N 3.31Å; A114-E116 PolarHBondContact O-N 3.2Å; A114-E116 VanDerWaalsContact O-N 3.12Å
117P61.3Low55.8Low91 Ų91149.2 Ų149.259%0.59178%0.784SS**PPolyproline II helixtrans-66.8130.3-177.927.1-33000108.9F115 L119F115-P117 HydrophobicContact CE1-CB 4.31Å; P117-L119 PolarHBondContact O-N 3.12Å
118P64.9Low56Low108 Ų108149.5 Ų149.570%0.70178%0.782SS**PPolyproline II helixtrans-54.4128.5173.2-25.534.5000110Y120P118-Y120 PolarHBondContact O-N 3.5Å
119L55.9Low56.3Low174 Ų174149.5 Ų149.591%0.91178%0.782SS**PPolyproline II helixtrans-56127.2171.6-73.6168.3000108.3P117 E121P117-L119 PolarHBondContact O-N 3.12Å; L119-E121 PolarHBondContact O-N 3.42Å; L119-E121 VanDerWaalsContact O-N 3.1Å
120Y64.3Low56.8Low206 Ų206149.1 Ų149.181%0.80878%0.78SS**  trans-66.7109.8-179-177.3-93.1000109P118 E122P118-Y120 PolarHBondContact O-N 3.5Å; Y120-E122 PolarHBondContact O-N 3.38Å
121E70.6Confident57.1Low181 Ų181150.4 Ų150.485%0.84679%0.786SS**PPolyproline II helixtrans-67.3122.6175.7-170.1173.1-132.800109.3L119L119-E121 PolarHBondContact O-N 3.42Å; L119-E121 VanDerWaalsContact O-N 3.1Å
122E67.6Low57Low167 Ų167152 Ų15278%0.7879%0.786SS**PPolyproline II helixtrans-71.9122.1-178.7-173175.7175.600109.8Y120Y120-E122 PolarHBondContact O-N 3.38Å
123P66Low57.3Low86 Ų86150.6 Ų150.656%0.55878%0.782SS**PPolyproline II helixtrans-68.6136.1-17827.1-33.7000111S125P123-S125 PolarHBondContact O-N 3.22Å
124P55.8Low58Low119 Ų119147.8 Ų147.877%0.77378%0.777SS**PPolyproline II helixtrans-54.8135.4-178.3-28.935.6000113.9D126P124-D126 VanDerWaalsContact C-N 3.3Å; P124-D126 PolarHBondContact O-N 3.16Å
125S55.3Low58.4Low114 Ų114150.9 Ų150.980%0.79777%0.774SS**SBendtrans-82.66.4-167.9440000115.8P123 F127P123-S125 PolarHBondContact O-N 3.22Å; S125-F127 VanDerWaalsContact C-N 3.29Å; S125-F127 PolarHBondContact O-N 3.1Å; S125-F127 VanDerWaalsContact O-N 3.13Å
126D57.4Low59.3Low150 Ų150147.6 Ų147.680%0.80277%0.769SS**  trans-85.435.1-174.3-80.1-51.6000115.3P124 K128P124-D126 VanDerWaalsContact C-N 3.3Å; P124-D126 PolarHBondContact O-N 3.16Å; D126-K128 PolarHBondContact O-N 3.07Å; D126-K128 VanDerWaalsContact O-N 3.09Å
127F44.5Very low58.9Low199 Ų199145.4 Ų145.487%0.87377%0.77SS**  trans-8188.2170.5-116.1-83.3000111.2S125S125-F127 VanDerWaalsContact C-N 3.29Å; S125-F127 PolarHBondContact O-N 3.1Å; S125-F127 VanDerWaalsContact O-N 3.13Å
128K54.2Low58.5Low181 Ų181148.3 Ų148.379%0.78778%0.779SS**PPolyproline II helixtrans-56.2133.1169.1-69.4-179.3179.8176.30109.9D126D126-K128 PolarHBondContact O-N 3.07Å; D126-K128 VanDerWaalsContact O-N 3.09Å
129P58.3Low57.5Low115 Ų115151 Ų15175%0.74779%0.787SS**PPolyproline II helixtrans-63.1144.2171.627.7-33.9000109.7
130P56.6Low57.4Low115 Ų115151.4 Ų151.475%0.74779%0.787SS**PPolyproline II helixtrans-61.1148.7170.528.1-34.3000109.8I132P130-I132 PolarHBondContact O-N 2.97Å
131P55.2Low56.4Low126 Ų126148.1 Ų148.182%0.81878%0.783SS**PPolyproline II helixtrans-58.9141.2177.225.6-33.8000110.4Y133P131-Y133 PolarHBondContact O-N 2.91Å
132I53.2Low54.7Low158 Ų158147.5 Ų147.581%0.8179%0.785SS**PPolyproline II helixtrans-56.9129.7179.3-63.7163.6000108.5P130 E134P130-I132 PolarHBondContact O-N 2.97Å; I132-E134 PolarHBondContact O-N 2.78Å
133Y55.3Low53.1Low210 Ų210144.9 Ų144.982%0.82479%0.785SS**PPolyproline II helixtrans-72.3119.1170.9-176.7-87.3000108.5P131P131-Y133 PolarHBondContact O-N 2.91Å
134E61.3Low51.5Low161 Ų161147.6 Ų147.675%0.75280%0.795SS**PPolyproline II helixtrans-50.9135.4-179.3-70.7-87.7114.500112.2I132 P136I132-E134 PolarHBondContact O-N 2.78Å; E134-P136 VanDerWaalsContact O-CD 3.31Å; E134-P136 WeakPolarHBondContact O-CD 3.48Å
135E57.4Low50.4Low169 Ų169146.8 Ų146.879%0.7979%0.792SS**  trans-75112.5168.5-177.1175.7174.900108.7
136P63.2Low49.3Very low99 Ų99147 Ų14764%0.64379%0.793SS**  trans-69129-179.228.2-33.3000109.5E134 I138E134-P136 VanDerWaalsContact O-CD 3.31Å; E134-P136 WeakPolarHBondContact O-CD 3.48Å; P136-I138 PolarHBondContact O-N 3.24Å
137P57.9Low48.2Very low125 Ų125144.8 Ų144.881%0.81279%0.79SS**  trans-65.6130.4-168.923.8-33.8000112.7D139P137-D139 PolarHBondContact O-N 2.68Å
138I53.8Low47.7Very low152 Ų152144.8 Ų144.878%0.77978%0.784SS**  trans-63108.1159.534.3167.1000109.9P136P136-I138 PolarHBondContact O-N 3.24Å
139D44.4Very low46.9Very low164 Ų164146.4 Ų146.488%0.87779%0.786SS**  trans-174.9107.4138.9-99.5-24.3000111P137P137-D139 PolarHBondContact O-N 2.68Å
140M53.1Low45.6Very low183 Ų183143.9 Ų143.990%0.90178%0.782SS**  trans-138.3108.7151.3-174.8133.365.100109.5
141N43.7Very low44.4Very low137 Ų137144.6 Ų144.673%0.73378%0.784SS**  trans-76.2124-176.3-164.1-24.3000110.1
142L33.9Very low43.3Very low168 Ų168144.7 Ų144.788%0.8878%0.778SS**  trans-134.669.2174.4-16475000110.9
143S34.1Very low42.5Very low111 Ų111145.9 Ų145.978%0.77678%0.777SS**  trans-100.6116.5163.7-610000109.6
144D32.5Very low41.5Very low144 Ų144141.4 Ų141.477%0.7778%0.776SS**  trans-131.8132160-165.9-10.2000109.3
145S32.7Very low41Very low101 Ų101139 Ų13971%0.70678%0.775SS**  trans48.4106.1166.2-63.80000117.3
146S31.8Very low39.7Very low118 Ų118135.6 Ų135.683%0.82577%0.77SS**  -173165.471.748.40000114.6
147S34.5Very low38.4Very low105 Ų105141.3 Ų141.373%0.73478%0.778SS**  trans63.9104.2176.7-154.70000116.1
148R34.1Very low37.3Very low199 Ų199144.9 Ų144.975%0.75178%0.781SS**  74.8118.560.4-65.6-152.5-75.7-163-4.9115.3
149Y36.8Very low36.6Very low214 Ų214142.8 Ų142.884%0.83978%0.78SS**  trans66133.1174.3-43.1-76.5000116.3
150G31.1Very low36.8Very low63 Ų63140.7 Ų140.765%0.64978%0.775SS**  cis175145.1-11.300000114.4
151T32.6Very low35.9Very low129 Ų129136.1 Ų136.179%0.79177%0.767SS**  trans56128.5154.747.60000122.6
152N30.9Very low36.4Very low128 Ų128134 Ų13468%0.68476%0.761SS**  trans96.8120.4130.5-77.9-30.6000122.9
153K36.4Very low36.3Very low184 Ų184133.7 Ų133.780%0.875%0.752SS**  trans75.6118.8150.2-16.9-165.5-171.9-670121.7
154S35.3Very low36.1Very low115 Ų115136.8 Ų136.880%0.80475%0.748SS**  trans-90-167148.6-36.40000109.6
155P51Low36.1Very low111 Ų111137.6 Ų137.672%0.72175%0.747SS**  cis-135.4-178.6-11.339.9-22.7000114.6
156S30.4Very low36.1Very low98 Ų98137.7 Ų137.769%0.68575%0.748SS**  159.9126.8121.9-760000118.4
157R35Very low37.4Very low219 Ų219137.8 Ų137.883%0.82675%0.746SS**  trans49.7113.1131.2-60.3-177.1175.1-128.13.8122
158K35.2Very low37.2Very low199 Ų199142.3 Ų142.387%0.86575%0.752SS**  168135.8101.3-94.4147.1-176.2-179.40114.6
159S39Very low37.1Very low109 Ų109140.6 Ų140.676%0.76275%0.753SS**  trans-115.3160.4151.158.40000108.3
160P48.1Very low36.6Very low119 Ų119135.3 Ų135.377%0.77375%0.747SS**  -132.816478.216.28.2000113
161A35.9Very low36.7Very low88 Ų88141.1 Ų141.173%0.72776%0.757SS**  cis78.1159.440.200000114.2
162P53Low36.7Very low93 Ų93140.6 Ų140.660%0.60476%0.759SS**  cis-139.6-163.2-12.9217.5000114.8
163F32.2Very low36.9Very low160 Ų160139.6 Ų139.670%0.70276%0.762SS**  trans79.6150.5156.9-53.9-42.7000119.8
164Y30.8Very low36.5Very low176 Ų176142.1 Ų142.169%0.6977%0.768SS**  cis-160.8153.2-13.7-117.4-45.9000111.2
165H31.8Very low36.4Very low161 Ų161139.8 Ų139.875%0.74576%0.762SS**  trans54.6161.8159.3-72.1-60.4000120.2
166S32.4Very low35.7Very low103 Ų103143.6 Ų143.672%0.7277%0.77SS**  cis161.5154.7-29.4-84.70000106.5
167P58.2Low36.5Very low121 Ų121147.3 Ų147.379%0.78678%0.782SS**  trans-120156.3-148.740-29.6000117.4
168K30.7Very low36.7Very low199 Ų199143.1 Ų143.187%0.86578%0.78SS**  trans-156.1165.3158.2-64.5-168.6-177.3-177.30109.1
169Q32.7Very low37.1Very low164 Ų164141.8 Ų141.877%0.76678%0.781SS**  cis177.8147.7-35.9-172.5-176.2-6.800106.7
170S26.4Very low37Very low103 Ų103142.5 Ų142.572%0.7278%0.781SS**  trans71.7163.7161.986.80000117.5
171Q32.4Very low36.8Very low185 Ų185149 Ų14986%0.86479%0.79SS**  cis-135.3175.84.4-99-157.2-0.700113.6
172S32.5Very low36.9Very low118 Ų118153.7 Ų153.783%0.82580%0.797SS**  trans-63.3169-179.6-169.20000115.8
173S35.2Very low35.8Very low106 Ų106158.4 Ų158.474%0.74181%0.808SS**  trans-116.7108.4179.259.60000112.9
174Y28Very low35.7Very low237 Ų237156.5 Ų156.593%0.92981%0.813SS**  trans-153131.1161.8-152.3-101.1000113
175G32.5Very low35.8Very low66 Ų66153.4 Ų153.468%0.6882%0.815SS**  trans80.497.515900000118.7
176Q37.9Very low35.9Very low192 Ų192154.6 Ų154.690%0.89782%0.821SS**  trans-156.2133.9130.1-117.8176.26.900111.8
177L46.4Very low36.1Very low176 Ų176158.3 Ų158.392%0.92182%0.824SS**  trans-107.7122.9173.5-72.4167.7000108.7
178V38.6Very low34.9Very low130 Ų130156.8 Ų156.879%0.78882%0.822SS**  trans-136.9131.4164.3-178.60000108.8
179L44.5Very low35.3Very low171 Ų171156.4 Ų156.490%0.89582%0.823SS**  trans-84.7124.7-179.3-70.7161.4000111.2
180T37.7Very low35.4Very low125 Ų125153.6 Ų153.677%0.76782%0.821SS**  trans-137144.7152.7590000110.6
181R43.1Very low36.5Very low255 Ų255155 Ų15596%0.96282%0.82SS**  trans-69.7130.5167.2-94.7-178.6161.3-135.51.7108.7
182Q36.8Very low37.1Very low187 Ų187153.3 Ų153.387%0.87481%0.812SS**  trans-131.4139.5156.5-158.1161.36.700112
183K31.4Very low37.8Very low192 Ų192154.5 Ų154.584%0.83580%0.8SS**PPolyproline II helixtrans-95.4125.6-167.7178.9-178.7177.5-176.70109.5
184C28.6Very low38.9Very low119 Ų119153.2 Ų153.280%0.80479%0.791SS**PPolyproline II helixtrans-61.6130.9175.7-62.50000111E186C184-E186 PolarHBondContact O-N 2.92Å
185P33.7Very low40.2Very low112 Ų112146.1 Ų146.173%0.72777%0.774SS**PPolyproline II helixtrans-76.9117170.4-12.328.6000110.5
186E34.1Very low41.4Very low186 Ų186147 Ų14787%0.86977%0.765SS**PPolyproline II helixtrans-63.3139.5165.8-176.5177.3174.600110.2C184C184-E186 PolarHBondContact O-N 2.92Å
187K36.1Very low42.8Very low180 Ų180138.8 Ų138.878%0.78373%0.733SS**  trans-150.489.3172.642.3-170.5168.9-173.40110Q189K187-Q189 PolarHBondContact O-N 3.06Å
188A34.5Very low43.6Very low90 Ų90135.2 Ų135.274%0.74471%0.71SS**  trans-58127.2172.200000109.9S190A188-S190 PolarHBondContact O-N 3.16Å
189Q37.5Very low44.6Very low190 Ų190134.8 Ų134.889%0.88870%0.699SS**  trans-84.8100.1172.1-66.3-177.59.800108K187 L191K187-Q189 PolarHBondContact O-N 3.06Å; Q189-L191 PolarHBondContact O-N 2.85Å; Q189-L191 VanDerWaalsContact O-N 3.08Å
190S35.5Very low45Very low105 Ų105133.4 Ų133.473%0.73468%0.683SS**  trans-62.2108.3172.850.10000109.4A188 E192A188-S190 PolarHBondContact O-N 3.16Å; S190-E192 PolarHBondContact O-N 3.42Å
191L49.2Very low46.5Very low132 Ų132131.5 Ų131.569%0.69167%0.671SS**  trans-78.671.1-176.7-151.9158.4000109.7Q189 Y193Q189-L191 PolarHBondContact O-N 2.85Å; Q189-L191 VanDerWaalsContact O-N 3.08Å; L191-Y193 HydrophobicContact CD2-CD2 4.03Å; L191-Y193 HydrophobicContact CD2-CE1 4.39Å; L191-Y193 HydrophobicContact CD2-CE2 3.51Å; L191-Y193 WeakPolarHBondContact O-CD2 3.39Å; L191-Y193 PolarHBondContact O-N 3.15Å; L191-Y193 VanDerWaalsContact O-N 3.15Å
192E44.9Very low47.4Very low151 Ų151127.2 Ų127.271%0.70666%0.659SS**  trans-75.1102.1-176.3175.6138.8-128.500111S190 K198S190-E192 PolarHBondContact O-N 3.42Å; E192-K198 IonicContact OE1-NZ 2.81Å; E192-K198 PolarHBondContact OE1-NZ 2.91Å
193Y47.9Very low48.2Very low143 Ų143124.1 Ų124.156%0.56165%0.645SS**  trans-62.7135.4172.4-74.5-91.7000111.6L191 K198L191-Y193 HydrophobicContact CD2-CD2 4.03Å; L191-Y193 HydrophobicContact CD2-CE1 4.39Å; L191-Y193 HydrophobicContact CD2-CE2 3.51Å; L191-Y193 WeakPolarHBondContact O-CD2 3.39Å; L191-Y193 PolarHBondContact O-N 3.15Å; L191-Y193 VanDerWaalsContact O-N 3.15Å; Y193-K198 WeakPolarHBondContact O-CE 3.35Å; Y193-K198 PolarHBondContact O-NZ 2.95Å
194S57.3Low49.7Very low78 Ų78121.2 Ų121.255%0.54564%0.638SS.*  trans-46145166.3171.60000111.3V196 G197 K198S194-V196 VanDerWaalsContact C-N 3.27Å; S194-V196 PolarHBondContact O-N 3.01Å; S194-G197 WeakPolarHBondContact O-CA 3.41Å; S194-G197 PolarHBondContact O-N 3.29Å; S194-K198 PolarHBondContact O-N 2.74Å
195P56.8Low51Low89 Ų89119.2 Ų119.258%0.57862%0.622SS**Hα-helixtrans-47.5-47.6-179.115.4-30.5000113.2G197 K198 E199P195-G197 PolarHBondContact O-N 3.38Å; P195-K198 WeakPolarHBondContact O-CB 3.45Å; P195-K198 PolarHBondContact O-N 3.38Å; P195-E199 PolarHBondContact O-N 3.26Å
196V56.2Low51.6Low83 Ų83121.9 Ų121.950%0.50362%0.619SS.*Hα-helixtrans-53.1-39.3175.9173.90000112.6S194 E199 Y200S194-V196 VanDerWaalsContact C-N 3.27Å; S194-V196 PolarHBondContact O-N 3.01Å; V196-E199 PolarHBondContact O-N 2.64Å; V196-Y200 HydrophobicContact CG1-CD2 4.02Å; V196-Y200 HydrophobicContact CG1-CE2 3.62Å; V196-Y200 VanDerWaalsContact O-CD2 3.28Å; V196-Y200 WeakPolarHBondContact O-CD2 3.46Å; V196-Y200 PolarHBondContact O-N 2.78Å
197G67.7Low52.4Low21 Ų21118.1 Ų118.122%0.21661%0.608CS.*Hα-helixtrans-68.4-34177.900000113.4S194 P195 E199 V201S194-G197 WeakPolarHBondContact O-CA 3.41Å; S194-G197 PolarHBondContact O-N 3.29Å; P195-G197 PolarHBondContact O-N 3.38Å; G197-E199 PolarHBondContact O-N 3.15Å; G197-V201 WeakPolarHBondContact O-CG2 3.33Å; G197-V201 PolarHBondContact O-N 3.16Å
198K63.3Low52.6Low100 Ų100117 Ų11744%0.43561%0.605SS.*Hα-helixtrans-67.8-23.5176.3-66168.6173.1160.30111.5E192 Y193 S194 P195 K202E192-K198 IonicContact OE1-NZ 2.81Å; E192-K198 PolarHBondContact OE1-NZ 2.91Å; Y193-K198 WeakPolarHBondContact O-CE 3.35Å; Y193-K198 PolarHBondContact O-NZ 2.95Å; S194-K198 PolarHBondContact O-N 2.74Å; P195-K198 WeakPolarHBondContact O-CB 3.45Å; P195-K198 PolarHBondContact O-N 3.38Å; K198-K202 PolarHBondContact O-N 2.85Å
199E59.8Low52.9Low122 Ų122119.8 Ų119.857%0.5760%0.603SS**Hα-helixtrans-81.4-43.7178-63176.5-11600112.6P195 V196 G197 V201 K202 Q203P195-E199 PolarHBondContact O-N 3.26Å; V196-E199 PolarHBondContact O-N 2.64Å; G197-E199 PolarHBondContact O-N 3.15Å; E199-V201 VanDerWaalsContact C-N 3.32Å; E199-V201 PolarHBondContact O-N 3.37Å; E199-K202 WeakPolarHBondContact O-CB 3.44Å; E199-K202 PolarHBondContact O-N 3.37Å; E199-K202 VanDerWaalsContact O-N 3.13Å; E199-Q203 PolarHBondContact O-N 3.34Å
200Y53.3Low53Low142 Ų142113.3 Ų113.356%0.55758%0.579SS**Hα-helixtrans-60.7-38.3173.3-76.1-66.4000112.9V196 K202 Q203 L204V196-Y200 HydrophobicContact CG1-CD2 4.02Å; V196-Y200 HydrophobicContact CG1-CE2 3.62Å; V196-Y200 VanDerWaalsContact O-CD2 3.28Å; V196-Y200 WeakPolarHBondContact O-CD2 3.46Å; V196-Y200 PolarHBondContact O-N 2.78Å; Y200-K202 VanDerWaalsContact C-N 3.32Å; Y200-K202 PolarHBondContact O-N 3.29Å; Y200-Q203 PolarHBondContact O-N 2.77Å; Y200-L204 WeakPolarHBondContact O-CG 3.42Å; Y200-L204 PolarHBondContact O-N 3.39Å
201V68.9Low52.9Low84 Ų84113.6 Ų113.651%0.50958%0.581SS.*Hα-helixtrans-62.7-38.6174.9172.80000111.3G197 E199 V205G197-V201 WeakPolarHBondContact O-CG2 3.33Å; G197-V201 PolarHBondContact O-N 3.16Å; E199-V201 VanDerWaalsContact C-N 3.32Å; E199-V201 PolarHBondContact O-N 3.37Å; V201-V205 WeakPolarHBondContact O-CG2 3.43Å; V201-V205 PolarHBondContact O-N 3.41Å
202K61.3Low52.4Low165 Ų165111.8 Ų111.872%0.71758%0.58SS**Hα-helixtrans-64.8-41.4173.2-83.4-176.9171.9-178.80112.5K198 E199 Y200 V205 Y206K198-K202 PolarHBondContact O-N 2.85Å; E199-K202 WeakPolarHBondContact O-CB 3.44Å; E199-K202 PolarHBondContact O-N 3.37Å; E199-K202 VanDerWaalsContact O-N 3.13Å; Y200-K202 VanDerWaalsContact C-N 3.32Å; Y200-K202 PolarHBondContact O-N 3.29Å; K202-V205 PolarHBondContact O-N 3.24Å; K202-Y206 VanDerWaalsContact O-CB 3.31Å; K202-Y206 WeakPolarHBondContact O-CB 3.47Å; K202-Y206 PolarHBondContact O-N 3.01Å
203Q55.2Low51.8Low123 Ų123109.4 Ų109.458%0.57558%0.579SS**Hα-helixtrans-62-44.3177.6-72.3-176.1-12.100111.8E199 Y200 V205 Y206 V207E199-Q203 PolarHBondContact O-N 3.34Å; Y200-Q203 PolarHBondContact O-N 2.77Å; Q203-V205 PolarHBondContact O-N 3.14Å; Q203-Y206 PolarHBondContact O-N 3.17Å; Q203-V207 WeakPolarHBondContact O-CB 3.39Å; Q203-V207 VanDerWaalsContact O-CG2 3.27Å; Q203-V207 WeakPolarHBondContact O-CG2 3.44Å; Q203-V207 PolarHBondContact O-N 3.12Å
204L61.6Low51.3Low130 Ų130108.1 Ų108.168%0.68159%0.588SS**Hα-helixtrans-58.9-47.7176.7-72.3165.9000112.1Y200 E208Y200-L204 WeakPolarHBondContact O-CG 3.42Å; Y200-L204 PolarHBondContact O-N 3.39Å; L204-E208 PolarHBondContact O-N 3.1Å
205V56.4Low50.2Low78 Ų78115.3 Ų115.347%0.47360%0.604SS.*Hα-helixtrans-67.3-36.1179.4174.40000112.3V201 K202 Q203 Q209V201-V205 WeakPolarHBondContact O-CG2 3.43Å; V201-V205 PolarHBondContact O-N 3.41Å; K202-V205 PolarHBondContact O-N 3.24Å; Q203-V205 PolarHBondContact O-N 3.14Å; V205-Q209 PolarHBondContact O-N 3.04Å
206Y45.3Very low49.2Very low167 Ų167120.1 Ų120.166%0.65562%0.616SS**Hα-helixtrans-75.2-33.8-179.8-167.2-106.1000113K202 Q203 Q209 S210K202-Y206 VanDerWaalsContact O-CB 3.31Å; K202-Y206 WeakPolarHBondContact O-CB 3.47Å; K202-Y206 PolarHBondContact O-N 3.01Å; Q203-Y206 PolarHBondContact O-N 3.17Å; Y206-Q209 PolarHBondContact O-N 3.24Å; Y206-S210 VanDerWaalsContact O-CB 3.28Å; Y206-S210 WeakPolarHBondContact O-CB 3.46Å; Y206-S210 PolarHBondContact O-N 3.06Å; Y206-S210 VanDerWaalsContact O-N 3.07Å; Y206-S210 PolarHBondContact O-OG 3.48Å
207V50.9Low48.3Very low107 Ų107125.5 Ų125.565%0.64863%0.633SS**Hα-helixtrans-64.4-39.8175.5166.50000111.6Q203 S210Q203-V207 WeakPolarHBondContact O-CB 3.39Å; Q203-V207 VanDerWaalsContact O-CG2 3.27Å; Q203-V207 WeakPolarHBondContact O-CG2 3.44Å; Q203-V207 PolarHBondContact O-N 3.12Å; V207-S210 PolarHBondContact O-N 3.37Å
208E42.1Very low46.7Very low156 Ų156130.6 Ų130.673%0.72966%0.659SS**Hα-helixtrans-65-42.7179-167.2168.9-172.800111.9L204 S210 S211L204-E208 PolarHBondContact O-N 3.1Å; E208-S210 VanDerWaalsContact C-N 3.3Å; E208-S210 PolarHBondContact O-N 3.01Å; E208-S211 PolarHBondContact O-OG 3.19Å
209Q40.3Very low45.3Very low150 Ų150130.2 Ų130.270%0.70168%0.675SS**Hα-helixtrans-72.5-19176.1-65.1-173.92.900113.9V205 Y206 S211V205-Q209 PolarHBondContact O-N 3.04Å; Y206-Q209 PolarHBondContact O-N 3.24Å; Q209-S211 VanDerWaalsContact C-N 3.31Å; Q209-S211 PolarHBondContact O-N 3.07Å
210S39.2Very low44.1Very low54 Ų54131.6 Ų131.638%0.37869%0.686SS.*THydrogen-bonded Turntrans-87.711-177.7-61.60000114.4Y206 V207 E208 S212Y206-S210 VanDerWaalsContact O-CB 3.28Å; Y206-S210 WeakPolarHBondContact O-CB 3.46Å; Y206-S210 PolarHBondContact O-N 3.06Å; Y206-S210 VanDerWaalsContact O-N 3.07Å; Y206-S210 PolarHBondContact O-OG 3.48Å; V207-S210 PolarHBondContact O-N 3.37Å; E208-S210 VanDerWaalsContact C-N 3.3Å; E208-S210 PolarHBondContact O-N 3.01Å; S210-S212 PolarHBondContact O-N 2.78Å
211S34.1Very low43.1Very low111 Ų111135.3 Ų135.378%0.77670%0.699SS**  trans-73.29.7179.854.80000115.1E208 Q209E208-S211 PolarHBondContact O-OG 3.19Å; Q209-S211 VanDerWaalsContact C-N 3.31Å; Q209-S211 PolarHBondContact O-N 3.07Å
212S37.3Very low41.3Very low94 Ų94138.3 Ų138.366%0.65771%0.712SS**SBendtrans-83.4126.1167.4680000111.1S210 P214S210-S212 PolarHBondContact O-N 2.78Å; S212-P214 WeakPolarHBondContact O-CD 3.48Å
213S33.7Very low39.9Very low100 Ų100136 Ų13670%0.69970%0.704SS**  trans-63.4123.8-169.1177.40000113.7R215S213-R215 VanDerWaalsContact C-N 3.34Å; S213-R215 PolarHBondContact O-N 3.17Å
214P36.9Very low38.7Very low116 Ų116139.6 Ų139.675%0.75371%0.712SS**  trans-68.790.2164.9-16.531.7000110S212 F216S212-P214 WeakPolarHBondContact O-CD 3.48Å; P214-F216 PolarHBondContact O-N 2.84Å
215R33.8Very low37.3Very low229 Ų229145.1 Ų145.186%0.86473%0.726SS**  trans-65.699.3172.4-83-176.9169161.6-3.4110S213 K217S213-R215 VanDerWaalsContact C-N 3.34Å; S213-R215 PolarHBondContact O-N 3.17Å; R215-K217 PolarHBondContact O-N 2.95Å
216F35Very low36Very low190 Ų190144.3 Ų144.383%0.83373%0.733SS**  trans-6298.7168.3-114.8-93.9000109.9P214 T218P214-F216 PolarHBondContact O-N 2.84Å; F216-T218 PolarHBondContact O-N 3.47Å
217K37.7Very low35.3Very low197 Ų197142.5 Ų142.586%0.85774%0.739SS**  trans-76.991.3162.7-79.4-172.6174-176.50108.1R215 A219R215-K217 PolarHBondContact O-N 2.95Å; K217-A219 PolarHBondContact O-N 3.17Å
218T34.2Very low34.4Very low127 Ų127144.9 Ų144.978%0.77975%0.749SS**  trans-65.5101.8164.8-53.10000108.1F216 D220F216-T218 PolarHBondContact O-N 3.47Å; T218-D220 PolarHBondContact O-N 3.47Å
219A35.1Very low33.9Very low92 Ų92141.6 Ų141.676%0.7676%0.757SS**  trans-76.1115.417700000109.6K217 R221K217-A219 PolarHBondContact O-N 3.17Å; A219-R221 PolarHBondContact O-N 3.47Å
220D34.7Very low33.5Very low152 Ų152138.2 Ų138.281%0.81376%0.762SS**  trans-67.3110.1173.817221.8000110.8T218T218-D220 PolarHBondContact O-N 3.47Å
221R31.1Very low33.3Very low219 Ų219146.2 Ų146.283%0.82679%0.79SS**  trans-161.861.1162.8-148.3-179.6-175.6-165.20.5117A219A219-R221 PolarHBondContact O-N 3.47Å
222L30.9Very low33.2Very low148 Ų148144.7 Ų144.778%0.77579%0.792SS**  trans-146.575.4153.7-143.370.7000112
223Q32.5Very low32.9Very low117 Ų117142.7 Ų142.755%0.54779%0.786SS.*  76.5112.6103-74.1-175.841.400116.6
224R30.3Very low33.1Very low197 Ų197144 Ų14474%0.74380%0.795SS**  trans55.894.1136.8-60.6-174.2-75.3-160.1-1.4117.8
225Y32Very low33.2Very low247 Ų247147.2 Ų147.297%0.96980%0.798SS**  -137.2174.296.8-84.6-78.1000108.1
226G29.2Very low33.3Very low61 Ų61140.7 Ų140.763%0.62980%0.801SS**  trans-162.3-144.1-172.100000115
227T30.3Very low33.1Very low129 Ų129134.5 Ų134.579%0.79179%0.792SS**  trans87.1137-176.577.50000116.9
228N32.2Very low32.9Very low157 Ų157131.5 Ų131.584%0.8480%0.795SS**  trans59.398.3153.4-51.6-9.2000118.1
229G32.2Very low32.9Very low87 Ų87134.6 Ų134.690%0.89779%0.794SS**  cis93.4123.443.100000111.3
230G30.3Very low33.1Very low79 Ų79136.3 Ų136.381%0.81480%0.795SS**  trans176.4135.3177.100000114
231F34.9Very low33Very low221 Ų221135.6 Ų135.697%0.96979%0.791SS**  trans-89.3143.1-174.9-82.1-108000113.9
232G32.5Very low33.3Very low79 Ų79133.4 Ų133.481%0.81479%0.79SS**  trans86.8159.2135.900000119.2
233G31.1Very low33.4Very low52 Ų52134.3 Ų134.354%0.53679%0.79SS.*  trans119.599.9168.300000115.2
234S38.4Very low33.4Very low127 Ų127133.5 Ų133.589%0.88880%0.797SS**  trans-84.8111.7163.5-69.60000109.8
235F38.4Very low33.5Very low185 Ų185133.2 Ų133.281%0.81180%0.804SS**  trans-132.5121.9169.9-34.3-71.6000109.2
236G35.5Very low33.6Very low91 Ų91127.1 Ų127.194%0.93880%0.798SS**  trans-79.7131172.700000110.6
237G30.5Very low34Very low61 Ų61132.7 Ų132.763%0.62981%0.812SS**  trans-152.599.6177.700000111.4Y239G237-Y239 PolarHBondContact O-N 3.15Å
238S33.8Very low34.3Very low133 Ų133134.1 Ų134.193%0.9381%0.814SS**  trans-71.5122.3176.9-58.60000110.6
239Y35.1Very low34.5Very low192 Ų192138.2 Ų138.275%0.75382%0.817SS**  trans-121.4114.7168.958.1-88.3000110.5G237 L241G237-Y239 PolarHBondContact O-N 3.15Å; Y239-L241 HydrophobicContact CD2-CD1 4.13Å; Y239-L241 HydrophobicContact CD2-CG 4.16Å; Y239-L241 HydrophobicContact CE2-CD1 4.05Å; Y239-L241 PolarHBondContact O-N 3.31Å
240T38.3Very low34.6Very low129 Ų129141.5 Ų141.579%0.79181%0.814SS**  trans-87.5101.2168.2390000108.5Q242T240-Q242 VanDerWaalsContact C-N 3.33Å; T240-Q242 PolarHBondContact O-N 3.49Å
241L33.3Very low34.9Very low137 Ų137142.6 Ų142.672%0.71781%0.807SS**  trans-68.987.9177.9-99.2165000111.1Y239 H243Y239-L241 HydrophobicContact CD2-CD1 4.13Å; Y239-L241 HydrophobicContact CD2-CG 4.16Å; Y239-L241 HydrophobicContact CE2-CD1 4.05Å; Y239-L241 PolarHBondContact O-N 3.31Å; L241-H243 PolarHBondContact O-N 3.38Å
242Q36.7Very low34.8Very low172 Ų172143.3 Ų143.380%0.80480%0.803SS**  trans-63.2121.6164.1-75.8-69.2-18.100109.1T240 S244T240-Q242 VanDerWaalsContact C-N 3.33Å; T240-Q242 PolarHBondContact O-N 3.49Å; Q242-S244 PolarHBondContact O-N 3.05Å
243H33.4Very low34.8Very low167 Ų167149.1 Ų149.177%0.77381%0.809SS**  trans-76.8114.8-176.6-98.7-103.8000111.8L241L241-H243 PolarHBondContact O-N 3.38Å
244S32.6Very low34.8Very low101 Ų101154.2 Ų154.271%0.70682%0.823SS**  trans42.1101.9149.257.30000118Q242Q242-S244 PolarHBondContact O-N 3.05Å
245Q33.1Very low34.7Very low191 Ų191154.6 Ų154.689%0.89381%0.814SS**  trans-60.6146.2157.9-70.4-176.9-4.500111.2
246S34.5Very low34.4Very low119 Ų119152.1 Ų152.183%0.83281%0.81SS**  trans-70.1128.8175.6-59.30000112I248S246-I248 PolarHBondContact O-N 3.28Å
247L36.2Very low34.2Very low177 Ų177157.6 Ų157.693%0.92780%0.803SS**  trans-76.5102.9175.5-69.9172000111.7
248I36.6Very low34.2Very low160 Ų160166 Ų16682%0.82182%0.816SS**  trans-124.4122.8154.6-62.2-177.9000107.4S246S246-I248 PolarHBondContact O-N 3.28Å
249R37.1Very low34.1Very low243 Ų243162.8 Ų162.892%0.91780%0.804SS**PPolyproline II helixtrans-79.2118.6179.2-104.5177.8170163.3-4.3110
250D33.4Very low33.9Very low156 Ų156162.9 Ų162.983%0.83481%0.811SS**PPolyproline II helixtrans-84.6126163.4-170.118.3000109.7
251P37.7Very low33.7Very low101 Ų101160.1 Ų160.166%0.65681%0.809SS**PPolyproline II helixtrans-92.2128.7-179.234.2-32.6000113
252R32.8Very low33.6Very low237 Ų237157.3 Ų157.389%0.89481%0.813SS**  trans87.584.9161.1-45.7167.383.9108.36.2117.9
253Q31.9Very low33.5Very low201 Ų201158.9 Ų158.994%0.93982%0.82SS**  -139.2131127.2-68.5-161.89.700109.6
254L31.8Very low33.4Very low159 Ų159154.5 Ų154.583%0.83282%0.82SS**  trans-161.2132175.2-173.3101.3000109.8
255L35.3Very low33.3Very low134 Ų134155 Ų15570%0.70282%0.823SS**  trans59.196.9162.6-101.560.4000119.5
256D33.2Very low33.2Very low133 Ų133152.8 Ų152.871%0.71181%0.813SS**  50.5136.2105.6-55.1-48.9000123.3
257Y31.7Very low32.9Very low207 Ų207156.4 Ų156.481%0.81281%0.808SS**  trans77.7113.2139-102.9-116.8000122.6
258R29.8Very low32.4Very low237 Ų237156.8 Ų156.889%0.89480%0.803SS**  75.5125.8126-167-173.1-150.9-131.23.6120
259G31Very low32.1Very low65 Ų65156.2 Ų156.267%0.6780%0.8SS**  trans164.9102.2151.100000116.7
260E32.4Very low31.5Very low194 Ų194154.3 Ų154.391%0.90780%0.799SS**  trans54.3170151.5-66.7-58.5106.300121
261G33.3Very low31.2Very low72 Ų72154.5 Ų154.574%0.74279%0.794SS**  trans-131.5176.4171.700000111.3
262G32.3Very low30.9Very low78 Ų78156.7 Ų156.780%0.80480%0.801SS**  trans134.393.9178.100000113.8
263E33.1Very low30.9Very low205 Ų205149.7 Ų149.796%0.95879%0.788SS**  trans15.5124.6143.5-163.6175.3-178.300119.6
264G31.5Very low30.8Very low74 Ų74146.9 Ų146.976%0.76378%0.778SS**  trans178.433.3177.600000121.4
265S30.6Very low30.7Very low111 Ų111144.1 Ų144.178%0.77677%0.772SS**  trans22.1107.8160.5-167.80000120.7
266Q30.1Very low30.3Very low145 Ų145149.1 Ų149.168%0.67878%0.782SS**  178.5132.7110.2-97.8-169.19300114.1
267R29.6Very low30Very low195 Ų195148.7 Ų148.774%0.73678%0.784SS**  trans36.5135149.5-35.6179.6-165.2-119.9-1.3119.2
268F26.4Very low29.9Very low186 Ų186143.9 Ų143.982%0.81678%0.781SS**  cis-148.9172.738.6-111.2-79.8000113.8
269I28.4Very low29.8Very low148 Ų148137.6 Ų137.676%0.75977%0.773SS**  trans-96138.5-171.5-70.2162.3000112.1
270F24.9Very low29.9Very low203 Ų203143.7 Ų143.789%0.8978%0.784SS**  -157.5142.2121.7-147.8-101.1000112.5
271E28Very low29.8Very low159 Ų159140.2 Ų140.274%0.74378%0.776SS**  trans-123.6152-179.5-175.1179.6-178.100109.5
272D32.1Very low29.6Very low148 Ų148145.4 Ų145.479%0.79178%0.781SS**  trans-85.7119179.3179.521.9000111.6
273S32.2Very low29.4Very low90 Ų90147.5 Ų147.563%0.62978%0.783SS**  trans-174.1122160.7-92.60000117.1
274I30.4Very low29.4Very low142 Ų142145.3 Ų145.373%0.72878%0.777SS**  trans63.8144.2133.9-42.7158.8000119.8
275S27.8Very low29.3Very low100 Ų100147.8 Ų147.870%0.69978%0.783SS**  trans71.7161.6171.3-71.90000114.3
276W27.4Very low29.2Very low239 Ų239148.1 Ų148.191%0.90579%0.785SS**  cis-139.9171.735.3-85.668.5000115.1
277T28.1Very low29.2Very low124 Ų124146.4 Ų146.476%0.76179%0.789SS**  trans-109154179.955.50000113.4
278S28.8Very low29.3Very low106 Ų106142 Ų14274%0.74179%0.788SS**  trans72.2151.7149.7-152.10000121.3
279S27.8Very low29.7Very low105 Ų105138.5 Ų138.573%0.73479%0.787SS**  trans65.6108150.1-55.80000119.5
280Q32Very low30.1Very low193 Ų193138.5 Ų138.590%0.90279%0.794SS**  trans-116.7143.7140.2-170.616573.400108.9
281T30.3Very low30.6Very low122 Ų122133.7 Ų133.775%0.74879%0.792SS**  trans-95.5156.4-159.343.50000114.4
282H29.9Very low30.8Very low180 Ų180129.6 Ų129.683%0.83379%0.792SS**  trans-84.8144.7167.3-53.3-83.4000110.4
283S27.9Very low31.5Very low122 Ų122129 Ų12985%0.85380%0.797SS**  trans-126.3138.9163.7-72.40000109.4
284L34.2Very low31.4Very low159 Ų159128.7 Ų128.783%0.83281%0.808SS**  trans-103.9148.9-171.4-62.2168.2000111.7
285S28.3Very low31.5Very low126 Ų126124.7 Ų124.788%0.88180%0.801SS**  trans-162149.4149.6-82.30000109.6
286S28.8Very low31.7Very low119 Ų119130 Ų13083%0.83281%0.812SS**  trans-134.2140.7-158.1-55.40000113.8
287S29.6Very low32.4Very low109 Ų109124 Ų12476%0.76281%0.807SS**  trans-160.8107.2155.542.70000108.4
288S32.2Very low33.3Very low101 Ų101124 Ų12471%0.70681%0.808SS**  78.378.371.174.80000114.5
289S33.8Very low33.3Very low114 Ų114124.3 Ų124.380%0.79781%0.811SS**  trans35.9121.5136.158.50000120.8
290T37.5Very low33.5Very low148 Ų148123.1 Ų123.191%0.90881%0.808SS**  trans-146.1149.2141.9-620000108.6
291A35.6Very low33.6Very low101 Ų101121 Ų12184%0.83580%0.803SS**  trans-101.1155.9-174.900000112.9
292G32.6Very low33.9Very low73 Ų73127.1 Ų127.175%0.75381%0.812SS**  trans179131.6174.400000111.8
293P45.3Very low34.3Very low137 Ų137128.5 Ų128.589%0.8982%0.815SS**  trans-109.2159-170.139.2-34.1000115.5
294G31.7Very low34.8Very low83 Ų83134.3 Ų134.386%0.85682%0.819SS**  trans121.5145.3143.900000118
295G32.9Very low34.8Very low58 Ų58136 Ų13660%0.59882%0.819SS**  trans105.2113.7145.700000119.2
296F31.7Very low35.1Very low211 Ų211135.4 Ų135.493%0.92582%0.815SS**  trans60.9113.2139-49.1-71.9000121.4
297S41.2Very low35.6Very low113 Ų113141.3 Ų141.379%0.7982%0.819SS**  trans-65.5158.2143-690000110.1
298P47.2Very low35.9Very low123 Ų123145.5 Ų145.580%0.79982%0.824SS**  cis-155179.346.843.2-21.9000120
299S29.7Very low36Very low114 Ų114146.9 Ų146.980%0.79783%0.831SS**  trans93.9143.3140.9-1500000122.3
300A30.8Very low35.9Very low80 Ų80147 Ų14766%0.66183%0.831SS**  trans70.1119.715100000123.3
301N35.3Very low35.7Very low149 Ų149147.3 Ų147.380%0.79783%0.827SS**  trans60.1111.9138.8-80.3-43.8000121.7
302R36.6Very low35.9Very low249 Ų249148.1 Ų148.194%0.9482%0.823SS**  -165.6156111.9-106.7164.2-121.4-149.8-1.6114.4
303K37.1Very low35.9Very low209 Ų209152.7 Ų152.791%0.90983%0.825SS**  trans-62.2136.6180-63.7173.5-177.81760112.8
304R38.3Very low35.2Very low244 Ų244153.6 Ų153.692%0.92182%0.817SS**  trans-130.8111.2147.8-79.7-177.5163.2179.8-5.1106.9
305K35.1Very low35.3Very low194 Ų194156.6 Ų156.684%0.84381%0.813SS**  62.7104.982-166.881.9174.1-170.50110
306S33.5Very low35.1Very low115 Ų115157.1 Ų157.180%0.80482%0.818SS**  trans-60146.3-178.243.10000112.7
307R39Very low35Very low243 Ų243158.4 Ų158.492%0.91782%0.817SS**  trans-123.8145.2161.5-73.6-176.2169-176.5-5.8107.8
308K37.8Very low34.3Very low196 Ų196159.4 Ų159.485%0.85282%0.822SS**PPolyproline II helixtrans-68.5147.5-176-57.1176.9-178.1-179.60110.1
309P33.9Very low33.4Very low131 Ų131157 Ų15785%0.85182%0.82SS**PPolyproline II helixtrans-65.6136.1164.629.6-33.3000109.6
310S30.8Very low33.9Very low115 Ų115161.6 Ų161.680%0.80483%0.826SS**PPolyproline II helixtrans-85.2139.3172.748.20000110.8
311L34.3Very low34.1Very low156 Ų156167.5 Ų167.582%0.81784%0.84SS**PPolyproline II helixtrans-84.2131.3176.6-175.3145.7000109.8
312P38.8Very low34.1Very low118 Ų118168.9 Ų168.977%0.76684%0.842SS**PPolyproline II helixtrans-80.4147.8176.732.8-34.4000111.6
313Q32.2Very low34.3Very low169 Ų169164.9 Ų164.979%0.7984%0.838SS**  trans-123.3149.1-175.9-161.6-175-24.100110.5
314E32.2Very low34.7Very low156 Ų156160.3 Ų160.373%0.72983%0.83SS**  trans70.7153.2171.8-59.6-115.4102.800116.1
315L33.6Very low35.4Very low146 Ų146151.2 Ų151.276%0.76481%0.812SS**  cis-151.6142.73-137.5164.1000109.2
316G28.7Very low36.1Very low68 Ų68147.2 Ų147.270%0.70180%0.803SS**  trans-161.812.5-16700000123.7
317R28Very low36.9Very low238 Ų238144.3 Ų144.390%0.89879%0.792SS**  trans64.8124.6169.5-70.2-175.2175.8-101.1-1.2121.1
318C27.6Very low37.8Very low134 Ų134136.8 Ų136.891%0.90578%0.776SS**  77.9108.9129.7-162.40000120.9
319G28.8Very low39.1Very low74 Ų74134.2 Ų134.276%0.76377%0.768SS**  trans172.4108.6160.700000109.8
320K40.4Very low40.7Very low210 Ų210133 Ų13391%0.91376%0.757SS**  trans-87.5128.4170.7-83.1-173174.1-1730108.7
321E34.5Very low42.8Very low203 Ų203133.9 Ų133.995%0.94975%0.75SS**  trans-164.7153.5133.2-110.6158.9-152.500109.5
322E34.8Very low44.9Very low179 Ų179131.9 Ų131.984%0.83674%0.74SS**  trans-119.6128.7-166-175.1-179.2161.800110.5
323L40.6Very low46.9Very low165 Ų165129 Ų12986%0.86473%0.726SS**  trans-146.4110.3174.7-111.5167.3000109.2
324P46.2Very low49.3Very low113 Ų113127.6 Ų127.673%0.73472%0.719SS**  trans-83.1148.6-173.231.6-35.1000113.2
325G51.9Low51.8Low53 Ų53123 Ų12355%0.54671%0.708SS.*SBendtrans122.6-40.4154.100000117.7S328G325-S328 PolarHBondContact O-OG 2.98Å
326T51.4Low54.5Low109 Ų109124.6 Ų124.667%0.66970%0.704SS**Hα-helixtrans-81.8-24.7-163.2520000115.8
327G48.9Very low57.2Low54 Ų54127.1 Ų127.156%0.55770%0.701SS**Hα-helixtrans-71.3-33.3-17500000114.8
328S58.5Low59.8Low85 Ų85118.2 Ų118.259%0.59468%0.678SS**Hα-helixtrans-75.3-38.5179.745.90000112.3G325 M331 L332G325-S328 PolarHBondContact O-OG 2.98Å; S328-M331 PolarHBondContact O-N 3.32Å; S328-L332 WeakPolarHBondContact O-CB 3.48Å; S328-L332 PolarHBondContact O-N 3.06Å
329E64.7Low62.4Low143 Ų143119.2 Ų119.267%0.66866%0.663SS**Hα-helixtrans-63.1-46.6-179.8-173.7174.1-162.200111.9M331 L332 A333E329-M331 VanDerWaalsContact C-N 3.28Å; E329-M331 PolarHBondContact O-N 2.98Å; E329-L332 PolarHBondContact O-N 3.05Å; E329-A333 WeakPolarHBondContact O-CB 3.42Å; E329-A333 PolarHBondContact O-N 3.28Å
330V67.5Low65.1Low104 Ų104120.8 Ų120.863%0.6365%0.65SS**Hα-helixtrans-60.8-38.6176.4176.80000111.5Q334V330-Q334 WeakPolarHBondContact O-CB 3.27Å; V330-Q334 PolarHBondContact O-N 2.84Å
331M76.2Confident66.8Low134 Ų134113.1 Ų113.166%0.6663%0.626SS**Hα-helixtrans-68.4-38.2177.5-165.3179.8-61.500112.1S328 E329 Q334 A335S328-M331 PolarHBondContact O-N 3.32Å; E329-M331 VanDerWaalsContact C-N 3.28Å; E329-M331 PolarHBondContact O-N 2.98Å; M331-Q334 PolarHBondContact O-N 3.34Å; M331-A335 WeakPolarHBondContact O-CB 3.47Å; M331-A335 PolarHBondContact O-N 3.43Å
332L77.3Confident68.7Low114 Ų114109.2 Ų109.260%0.59761%0.608SS**Hα-helixtrans-73.4-37.4178.6-151161.4000111.4S328 E329 A335 R336S328-L332 WeakPolarHBondContact O-CB 3.48Å; S328-L332 PolarHBondContact O-N 3.06Å; E329-L332 PolarHBondContact O-N 3.05Å; L332-A335 PolarHBondContact O-N 3.06Å; L332-R336 PolarHBondContact O-N 3.46Å
333A81.7Confident70.5Confident57 Ų57104.3 Ų104.347%0.47159%0.585SS.*Hα-helixtrans-62.5-44.6170.400000111.9E329 A335 R336 L337E329-A333 WeakPolarHBondContact O-CB 3.42Å; E329-A333 PolarHBondContact O-N 3.28Å; A333-A335 VanDerWaalsContact C-N 3.32Å; A333-A335 PolarHBondContact O-N 2.84Å; A333-R336 PolarHBondContact O-N 2.77Å; A333-L337 PolarHBondContact O-N 2.85Å
334Q81.9Confident71.9Confident141 Ų141101.4 Ų101.466%0.65957%0.574SS**Hα-helixtrans-62.4-38.5174.5-175.2173.77000111.9V330 M331 L337 A338V330-Q334 WeakPolarHBondContact O-CB 3.27Å; V330-Q334 PolarHBondContact O-N 2.84Å; M331-Q334 PolarHBondContact O-N 3.34Å; Q334-L337 PolarHBondContact O-N 2.94Å; Q334-A338 VanDerWaalsContact O-CB 3.29Å; Q334-A338 WeakPolarHBondContact O-CB 3.35Å; Q334-A338 PolarHBondContact O-N 2.95Å
335A85.4Confident72.6Confident59 Ų59101.9 Ų101.949%0.48857%0.568SS.*Hα-helixtrans-64.9-41.217500000112.7M331 L332 A333 W339M331-A335 WeakPolarHBondContact O-CB 3.47Å; M331-A335 PolarHBondContact O-N 3.43Å; L332-A335 PolarHBondContact O-N 3.06Å; A333-A335 VanDerWaalsContact C-N 3.32Å; A333-A335 PolarHBondContact O-N 2.84Å; A335-W339 WeakPolarHBondContact O-CB 3.46Å; A335-W339 PolarHBondContact O-N 3.5Å
336R88.8Confident73.4Confident179 Ų179106.4 Ų106.468%0.67557%0.572SS**Hα-helixtrans-60.8-51.3172.8-88.3-172.7170.9-179.7-1.8111.9L332 A333 A338 W339 E340L332-R336 PolarHBondContact O-N 3.46Å; A333-R336 PolarHBondContact O-N 2.77Å; R336-A338 VanDerWaalsContact C-N 3.29Å; R336-A338 PolarHBondContact O-N 3.43Å; R336-W339 WeakPolarHBondContact O-CB 3.37Å; R336-W339 PolarHBondContact O-N 2.99Å; R336-E340 PolarHBondContact O-N 3.37Å
337L86.7Confident73.8Confident122 Ų122107.8 Ų107.864%0.63957%0.571SS**Hα-helixtrans-61.9-37.7-178.3-162.973.7000111.9A333 Q334 A341A333-L337 PolarHBondContact O-N 2.85Å; Q334-L337 PolarHBondContact O-N 2.94Å; L337-A341 WeakPolarHBondContact O-CB 3.44Å; L337-A341 PolarHBondContact O-N 3.03Å; L337-A341 VanDerWaalsContact O-N 3.08Å
338A82Confident73.7Confident50 Ų50115.2 Ų115.241%0.41358%0.582SS.*Hα-helixtrans-67.5-32.5174.300000113.2Q334 R336 Q342Q334-A338 VanDerWaalsContact O-CB 3.29Å; Q334-A338 WeakPolarHBondContact O-CB 3.35Å; Q334-A338 PolarHBondContact O-N 2.95Å; R336-A338 VanDerWaalsContact C-N 3.29Å; R336-A338 PolarHBondContact O-N 3.43Å; A338-Q342 WeakPolarHBondContact O-CG 3.44Å; A338-Q342 PolarHBondContact O-N 2.75Å
339W82.6Confident73.2Confident156 Ų156114.6 Ų114.659%0.59158%0.578SS**Hα-helixtrans-72.9-43.8175.7-176.488.8000111.9A335 R336 A341 Q342 Q343A335-W339 WeakPolarHBondContact O-CB 3.46Å; A335-W339 PolarHBondContact O-N 3.5Å; R336-W339 WeakPolarHBondContact O-CB 3.37Å; R336-W339 PolarHBondContact O-N 2.99Å; W339-A341 PolarHBondContact O-N 3.33Å; W339-Q342 WeakPolarHBondContact O-CB 3.41Å; W339-Q342 PolarHBondContact O-N 2.7Å; W339-Q342 VanDerWaalsContact O-N 3.14Å; W339-Q343 HydrophobicContact CD2-CG 4.44Å; W339-Q343 HydrophobicContact CE3-CG 4.28Å; W339-Q343 HydrophobicContact CH2-CG 4.21Å; W339-Q343 HydrophobicContact CZ2-CG 4.37Å; W339-Q343 HydrophobicContact CZ3-CG 4.16Å; W339-Q343 PolarHBondContact O-N 3.07Å
340E84.5Confident72.3Confident106 Ų106112 Ų11250%0.49558%0.575SS.*Hα-helixtrans-60.1-44.1175.2-70.5178.2161.800111.7R336 Q342 Q343 V344R336-E340 PolarHBondContact O-N 3.37Å; E340-Q342 PolarHBondContact O-N 2.84Å; E340-Q343 PolarHBondContact O-N 3.12Å; E340-V344 PolarHBondContact O-N 3.05Å
341A76.6Confident71.2Confident50 Ų50118.1 Ų118.141%0.41359%0.587SS.*Hα-helixtrans-57.6-34.4175.400000113L337 W339 M345L337-A341 WeakPolarHBondContact O-CB 3.44Å; L337-A341 PolarHBondContact O-N 3.03Å; L337-A341 VanDerWaalsContact O-N 3.08Å; W339-A341 PolarHBondContact O-N 3.33Å; A341-M345 WeakPolarHBondContact O-CG 3.33Å; A341-M345 PolarHBondContact O-N 2.75Å; A341-M345 VanDerWaalsContact O-N 3.17Å
342Q75.7Confident69.5Low121 Ų121118.7 Ų118.757%0.56559%0.593SS**Hα-helixtrans-70.4-35.8175.1-71.1178.323.800112.7A338 W339 E340 M345 K346A338-Q342 WeakPolarHBondContact O-CG 3.44Å; A338-Q342 PolarHBondContact O-N 2.75Å; W339-Q342 WeakPolarHBondContact O-CB 3.41Å; W339-Q342 PolarHBondContact O-N 2.7Å; W339-Q342 VanDerWaalsContact O-N 3.14Å; E340-Q342 PolarHBondContact O-N 2.84Å; Q342-M345 HydrophobicContact CG-CE 4.2Å; Q342-M345 PolarHBondContact O-N 3.04Å; Q342-K346 WeakPolarHBondContact O-CB 3.47Å; Q342-K346 PolarHBondContact O-N 2.88Å
343Q71.8Confident68Low75 Ų75118.8 Ų118.835%0.3560%0.604SS.*Hα-helixtrans-67.8-40.6175.4-54.3-52.8-21.900111.7W339 E340 M345 K346 Q347W339-Q343 HydrophobicContact CD2-CG 4.44Å; W339-Q343 HydrophobicContact CE3-CG 4.28Å; W339-Q343 HydrophobicContact CH2-CG 4.21Å; W339-Q343 HydrophobicContact CZ2-CG 4.37Å; W339-Q343 HydrophobicContact CZ3-CG 4.16Å; W339-Q343 PolarHBondContact O-N 3.07Å; E340-Q343 PolarHBondContact O-N 3.12Å; Q343-M345 PolarHBondContact O-N 3.08Å; Q343-K346 PolarHBondContact O-N 2.96Å; Q343-K346 VanDerWaalsContact O-N 3.17Å; Q343-Q347 WeakPolarHBondContact O-CG 3.34Å; Q343-Q347 PolarHBondContact O-N 3.32Å
344V69Low65.9Low104 Ų104119.3 Ų119.363%0.6361%0.614SS**Hα-helixtrans-61.2-43.1175.9175.20000111.5E340 K346 Q347 R348E340-V344 PolarHBondContact O-N 3.05Å; V344-K346 VanDerWaalsContact C-N 3.34Å; V344-K346 PolarHBondContact O-N 3.4Å; V344-Q347 PolarHBondContact O-N 2.86Å; V344-R348 PolarHBondContact O-N 3.1Å; V344-R348 VanDerWaalsContact O-N 3.15Å
345M62.1Low63.8Low123 Ų123122.6 Ų122.661%0.60663%0.629SS**Hα-helixtrans-62.3-40.4174-73.1-172.7-7200112.3A341 Q342 Q343 R348 S349A341-M345 WeakPolarHBondContact O-CG 3.33Å; A341-M345 PolarHBondContact O-N 2.75Å; A341-M345 VanDerWaalsContact O-N 3.17Å; Q342-M345 HydrophobicContact CG-CE 4.2Å; Q342-M345 PolarHBondContact O-N 3.04Å; Q343-M345 PolarHBondContact O-N 3.08Å; M345-R348 PolarHBondContact O-N 3.46Å; M345-S349 PolarHBondContact O-N 3.06Å; M345-S349 VanDerWaalsContact O-N 3.12Å; M345-S349 PolarHBondContact O-OG 2.99Å
346K67.4Low61.3Low149 Ų149123.8 Ų123.865%0.64865%0.648SS**Hα-helixtrans-67.9-36.4-179.8-164.6176.4-178.9-175.10113.1Q342 Q343 V344 R348 S349Q342-K346 WeakPolarHBondContact O-CB 3.47Å; Q342-K346 PolarHBondContact O-N 2.88Å; Q343-K346 PolarHBondContact O-N 2.96Å; Q343-K346 VanDerWaalsContact O-N 3.17Å; V344-K346 VanDerWaalsContact C-N 3.34Å; V344-K346 PolarHBondContact O-N 3.4Å; K346-R348 VanDerWaalsContact C-N 3.35Å; K346-S349 WeakPolarHBondContact CA-OG 3.46Å; K346-S349 PolarHBondContact O-N 3Å; K346-S349 PolarHBondContact O-OG 2.94Å
347Q59.8Low58.6Low138 Ų138119.5 Ų119.565%0.64566%0.659SS**Hα-helixtrans-62.9-41.2170.4-71.9-68.6-13.700111.4Q343 V344 S349 S350Q343-Q347 WeakPolarHBondContact O-CG 3.34Å; Q343-Q347 PolarHBondContact O-N 3.32Å; V344-Q347 PolarHBondContact O-N 2.86Å; Q347-S349 VanDerWaalsContact C-N 3.34Å; Q347-S349 PolarHBondContact O-N 3.28Å; Q347-S350 WeakPolarHBondContact O-CB 3.47Å; Q347-S350 PolarHBondContact O-N 2.97Å; Q347-S350 VanDerWaalsContact O-N 3.16Å
348R46.8Very low55.9Low209 Ų209117.6 Ų117.679%0.78967%0.669SS**Hα-helixtrans-67.9-30.4-179.8-159.2177-172-77.71.1113.4V344 M345 K346 S350V344-R348 PolarHBondContact O-N 3.1Å; V344-R348 VanDerWaalsContact O-N 3.15Å; M345-R348 PolarHBondContact O-N 3.46Å; K346-R348 VanDerWaalsContact C-N 3.35Å; R348-S350 PolarHBondContact O-N 2.81Å
349S49.3Very low53.6Low73 Ų73121.4 Ų121.451%0.5169%0.687SS.*G310 helixtrans-70.9-12.6173.445.20000114.7M345 K346 Q347 W351M345-S349 PolarHBondContact O-N 3.06Å; M345-S349 VanDerWaalsContact O-N 3.12Å; M345-S349 PolarHBondContact O-OG 2.99Å; K346-S349 WeakPolarHBondContact CA-OG 3.46Å; K346-S349 PolarHBondContact O-N 3Å; K346-S349 PolarHBondContact O-OG 2.94Å; Q347-S349 VanDerWaalsContact C-N 3.34Å; Q347-S349 PolarHBondContact O-N 3.28Å; S349-W351 PolarHBondContact O-N 3.45Å
350S44.9Very low51.2Low87 Ų87119.8 Ų119.861%0.60870%0.695SS**G310 helixtrans-74.7-4-176.4-164.10000114.9Q347 R348Q347-S350 WeakPolarHBondContact O-CB 3.47Å; Q347-S350 PolarHBondContact O-N 2.97Å; Q347-S350 VanDerWaalsContact O-N 3.16Å; R348-S350 PolarHBondContact O-N 2.81Å
351W44.1Very low48.7Very low233 Ų233122.2 Ų122.288%0.88371%0.705SS**G310 helixtrans-113.4-4.1-175-62.491.6000113.8S349S349-W351 PolarHBondContact O-N 3.45Å
352D42Very low46.5Very low147 Ų147124.9 Ų124.979%0.78672%0.72SS**SBendtrans-106.845.8-174.8-163.732.5000110.9
353S44.4Very low44.4Very low116 Ų116125.4 Ų125.481%0.81174%0.737SS**  trans-150.256.3-175.6-71.20000111.3
354G38.7Very low42.5Very low67 Ų67124.8 Ų124.869%0.69175%0.751SS**SBendtrans-147.7122.1175.100000112.2
355Q37.1Very low40.9Very low210 Ų210126 Ų12698%0.98176%0.764SS**  trans72131.8173.9-53.5-175.9-4.700117.3
356G33.9Very low39.6Very low85 Ų85127.8 Ų127.888%0.87677%0.768SS**  trans150.881.3-176.800000110.7
357G32.2Very low38.3Very low89 Ų89127 Ų12792%0.91877%0.772SS**  trans-88.6169.8-167.800000116.2
358G29.8Very low37.1Very low82 Ų82123.9 Ų123.985%0.84578%0.776SS**  trans-171.7144.6173.400000110.1
359V32.2Very low36.4Very low129 Ų129123.5 Ų123.578%0.78278%0.776SS**  trans-124.1152.2-164.6164.70000111.7
360T33.7Very low35.8Very low123 Ų123127 Ų12776%0.75578%0.784SS**  trans63.6147.7176.345.90000116.7
361H31.5Very low36Very low156 Ų156128.7 Ų128.772%0.72280%0.796SS**  cis-154.1140.937.2-140.4-85.4000115.4
362C29.7Very low35.8Very low107 Ų107125 Ų12572%0.72379%0.794SS**  trans52.3147.1152.764.60000125.3
363S32Very low35.7Very low132 Ų132121.4 Ų121.492%0.92379%0.791SS**  trans76.4131.2167.8-1570000117.2
364G31.1Very low35.3Very low62 Ų62120.6 Ų120.664%0.63979%0.791SS**  cis167.7153.4-4.800000112.2
365S36.5Very low35.4Very low130 Ų130123.2 Ų123.291%0.90979%0.794SS**  trans67.7155.9-176.4-64.30000116.5
366K33.7Very low35.8Very low159 Ų159119 Ų11969%0.69178%0.784SS**  cis-169155.7-29-171-174.5164.2-87.40107
367D40.5Very low36.2Very low134 Ų134121.6 Ų121.672%0.71778%0.777SS**  trans68.5141.5171.9-50.1-51.5000115.8
368G34.8Very low36.6Very low71 Ų71123.4 Ų123.473%0.73277%0.773SS**  cis175.4154-12.800000113.9
369Y31.9Very low36.7Very low202 Ų202126.4 Ų126.479%0.79277%0.769SS**  trans71.2134.3151.9-150.1-103.5000122.3
370E36.5Very low37.4Very low147 Ų147126.4 Ų126.469%0.68777%0.771SS**  trans13.9135.6165.8-65.6-172.2155.600124.3
371S50.3Low37.3Very low122 Ų122123.5 Ų123.585%0.85377%0.766SS**  -157.9128.3100.3-167.60000110.8
372D39.5Very low37.8Very low156 Ų156122.6 Ų122.683%0.83477%0.774SS**  trans-87.6159168.2-167.57.7000110.1
373G40.5Very low38Very low70 Ų70123.8 Ų123.872%0.72278%0.778SS**  trans-171.590.4-171.600000113.2
374A35Very low38.5Very low99 Ų99124.1 Ų124.182%0.81877%0.774SS**  trans-71.8159.9-173.600000115.2
375V40.5Very low38.8Very low123 Ų123130.2 Ų130.275%0.74578%0.777SS**  trans-76.3166-173.6-139.30000113
376P47Very low38.9Very low121 Ų121128.8 Ų128.879%0.78677%0.773SS**  -138.9156.599.138.2-26.9000115.6
377L40.8Very low38.8Very low139 Ų139128 Ų12873%0.72877%0.77SS**  trans-87.2157.1172.8-69.7167.7000111.9
378P41.5Very low38.7Very low127 Ų127127.8 Ų127.883%0.82578%0.779SS**  trans-123.6143.6134.935.3-28.3000113.2
379L32.3Very low38.8Very low146 Ų146132.9 Ų132.976%0.76478%0.784SS**  trans-117.7175.3176.3-73.6171000109.1
380P46.9Very low39.2Very low128 Ų128130.6 Ų130.683%0.83179%0.786SS**  cis-128170.8-26.928.5-9.3000113.3
381G30.9Very low39.1Very low62 Ų62132.1 Ų132.164%0.63979%0.793SS**  trans-144.3147.1163.800000111V383G381-V383 PolarHBondContact O-N 3.49Å
382P41.1Very low38.3Very low137 Ų137130.8 Ų130.889%0.8979%0.789SS**  trans-79.7122.2-160.4-1531.3000114.2
383V35.8Very low38.2Very low133 Ų133131.9 Ų131.981%0.80679%0.794SS**  trans-125.3115.5161.4179.10000108G381 R385G381-V383 PolarHBondContact O-N 3.49Å; V383-R385 PolarHBondContact O-N 3.37Å
384V41.6Very low37.9Very low139 Ų139132.9 Ų132.984%0.84280%0.795SS**  trans-77.5115.4175.9177.90000108.8
385R36.3Very low37.7Very low189 Ų189137.9 Ų137.971%0.71380%0.801SS**PPolyproline II helixtrans-78.7136.6165.2-90.1179.5-81.6158.2-7109.8V383 F387V383-R385 PolarHBondContact O-N 3.37Å; R385-F387 HydrophobicContact CB-CD2 4.4Å; R385-F387 HydrophobicContact CB-CE2 4.06Å
386A40Very low37.2Very low100 Ų100135.7 Ų135.783%0.82680%0.804SS**PPolyproline II helixtrans-103.6144.1148.600000107.5
387F30.5Very low36.4Very low143 Ų143137.9 Ų137.963%0.62781%0.809SS**PPolyproline II helixtrans-98.5156.8-171-72.3-112.7000111.3R385R385-F387 HydrophobicContact CB-CD2 4.4Å; R385-F387 HydrophobicContact CB-CE2 4.06Å
388S39.1Very low36Very low129 Ų129134.4 Ų134.490%0.90281%0.807SS**  trans-116.4128.1152.1-71.10000107.2
389E37.3Very low35.7Very low178 Ų178137.4 Ų137.483%0.83281%0.809SS**  trans-146.5171.6169.963.5-166.6147.200109.1
390D39.5Very low36Very low155 Ų155138.1 Ų138.183%0.82981%0.808SS**  trans-113.4172.4-136.1-130.1-36.1000116.2
391E35.4Very low35.1Very low179 Ų179143.8 Ų143.884%0.83681%0.813SS**  trans36.4110.8148.9-167171.4-160.100120.2
392A33.8Very low35.3Very low93 Ų93149.8 Ų149.877%0.76982%0.822SS**  trans-14794.5162.900000114.9
393L37.5Very low34.8Very low180 Ų180153.8 Ų153.894%0.94282%0.819SS**  trans66.3164.5149.8-56.1177.9000119.6
394A32.6Very low34.4Very low90 Ų90152.8 Ų152.874%0.74481%0.814SS**  trans-121.7-179.9-161.400000114.2
395Q30.4Very low33.9Very low204 Ų204151.8 Ų151.895%0.95381%0.808SS**  trans82146.2173.5-49.9-167.7-46.600116.9
396G31.9Very low33.6Very low77 Ų77151.2 Ų151.279%0.79481%0.811SS**  trans143.395.617500000113.8
397D30.2Very low33.1Very low168 Ų168152.4 Ų152.490%0.89880%0.803SS**  trans-65.8161.8-179-66.1-82.2000115.7
398G31.3Very low33.2Very low66 Ų66154.7 Ų154.768%0.6881%0.808SS**  88112.3118.600000118.7H400G398-H400 PolarHBondContact O-N 2.93Å
399H34.5Very low33.3Very low189 Ų189155.7 Ų155.788%0.87580%0.803SS**  trans-26.5129163-60.6-95.8000116.3
400H40.5Very low33Very low161 Ų161151 Ų15175%0.74580%0.802SS**  174.9148.4104.562.2-64.9000112.5G398G398-H400 PolarHBondContact O-N 2.93Å
401W27.7Very low32.7Very low247 Ų247153.7 Ų153.794%0.93681%0.807SS**  trans-136.396.7161.257.7-91.2000111.3
402K35.1Very low32.5Very low188 Ų188150.3 Ų150.382%0.81780%0.803SS**  trans-154.2107.1166.7-89.2-159.2177.8-177.50111.9
403R29.1Very low32.3Very low221 Ų221154.6 Ų154.683%0.83481%0.807SS**  trans166.5119.4148-94.1175.8-85.3-116.32.3105.1
404T28.4Very low32Very low113 Ų113150.4 Ų150.469%0.69380%0.798SS**  66.8123.858.472.20000114.9
405T30Very low32.3Very low118 Ų118153.8 Ų153.872%0.72480%0.803SS**  trans70.6125.1142.250.20000121.6
406F31.2Very low32.9Very low177 Ų177151.3 Ų151.378%0.77680%0.795SS**  trans103.5125134.5-100.7-120.6000120.2
407D30.1Very low32.9Very low124 Ų124156.3 Ų156.366%0.66380%0.798SS**  trans64.1153.4140.2-81.94.7000121.7
408R31.6Very low33.4Very low191 Ų191157.4 Ų157.472%0.72180%0.795SS**  cis-169.1158.4-28.7-150.5177179.8-120.80.8109.1
409L41.7Very low33.8Very low151 Ų151159.3 Ų159.379%0.79180%0.797SS**  trans70.8151.5166.5-50.2177000116.7
410G30.5Very low33.8Very low79 Ų79158 Ų15881%0.81480%0.796SS**  trans147.335.4177.600000116.7
411F32.8Very low33.7Very low212 Ų212154.5 Ų154.593%0.9379%0.79SS**  trans-90.1122-178.4-91.8-80.2000113.8
412S31.3Very low34Very low108 Ų108148.5 Ų148.576%0.75578%0.78SS**  trans-154.6128.5131.353.40000107
413Q29.1Very low34Very low182 Ų182148.2 Ų148.285%0.8578%0.782SS**  cis69.386.447.1-168.5177-9.100113.3
414A32.6Very low34.2Very low92 Ų92142.6 Ų142.676%0.7677%0.772SS**  180100123.800000112.7
415L38Very low34.5Very low162 Ų162144 Ų14485%0.84878%0.775SS**SBendtrans-163.9146.2134.4-137.575.3000112.4
416L43.4Very low34.6Very low151 Ų151146.3 Ų146.379%0.79178%0.782SS**  trans60.173165.2-69.4167.9000117.7
417E32.7Very low34.4Very low182 Ų182142.8 Ų142.885%0.8579%0.786SS**  trans-51.7149.5143.6-51.4161.3109.900112.1
418K40.6Very low34.4Very low191 Ų191141.9 Ų141.983%0.8379%0.79SS**  trans-168.9132.5141.7-112.4167.4-177.6177.80111.7
419S39.7Very low35.3Very low106 Ų106139 Ų13974%0.74180%0.795SS**  trans55.6109.7176.4380000115.5
420L33.8Very low34.8Very low163 Ų163139.7 Ų139.785%0.85380%0.795SS**  54.9135.451.2-73.389.2000114.7
421S39Very low35.5Very low87 Ų87140.5 Ų140.561%0.60879%0.785SS**  cis-177.3154-10490000112.4
422V34.1Very low35.4Very low121 Ų121139.6 Ų139.673%0.73378%0.777SS**  trans67.2123.5148.3162.80000115.9
423Q33.7Very low35.4Very low181 Ų181141 Ų14185%0.84678%0.776SS**  57.3153.670.8-64.7-169.3-5.200112.6
424T33.5Very low35.7Very low104 Ų104140.9 Ų140.964%0.63878%0.775SS**  cis-163.8134.722.2152.80000111.7
425N34.2Very low36.9Very low142 Ų142141.3 Ų141.376%0.75977%0.77SS**  trans61.2155.2145.7-74.5-70.1000125.7
426L32.1Very low36.7Very low166 Ų166138.1 Ų138.187%0.86976%0.761SS**  trans71.3102.1150.2-75.7158.8000121.5
427A29Very low36.3Very low104 Ų104139.2 Ų139.286%0.8676%0.762SS**  -170.7155.1119.800000111.5
428S29.4Very low36.5Very low105 Ų105135.3 Ų135.373%0.73476%0.755SS**  trans-127158.6168.9-166.90000108.4
429P50.1Low36.3Very low129 Ų129134.4 Ų134.484%0.83875%0.753SS**  -143.8158.192.537.5-21.5000116.5
430E31Very low36.3Very low166 Ų166136.4 Ų136.478%0.77676%0.756SS**  trans-76.2-176.6161.8-113.2-163.4112.800111.9
431P46.4Very low36.5Very low96 Ų96136.4 Ų136.462%0.62376%0.756SS**  cis-129.3-1448.233.5-7.6000112
432Y29.3Very low36.2Very low194 Ų194135.5 Ų135.576%0.76176%0.76SS**  cis-164.9173.44.9-134.6-10.1000114.3
433L32.7Very low36.2Very low138 Ų138134.6 Ų134.672%0.72377%0.765SS**  trans50.291.5152.6-60.5-178000123.7
434H33.9Very low36.2Very low179 Ų179132.2 Ų132.283%0.82977%0.767SS**  45.4144.2108.2-132-105.9000124.2
435P57.3Low36.5Very low100 Ų100131.8 Ų131.865%0.64977%0.774SS**  trans-105.5170.4-179.941.1-37.5000116.4
436S34.9Very low36.4Very low95 Ų95133.2 Ų133.266%0.66478%0.776SS**  trans-173.2140.2158.9-91.80000116.8
437Q34Very low36.8Very low175 Ų175134.7 Ų134.782%0.81878%0.776SS**  trans62.6158.1144.1-62.1158.76400118.4
438S37.9Very low37Very low99 Ų99137.7 Ų137.769%0.69277%0.772SS**  cis-134.8163.13.765.30000109.4
439E36.1Very low37.5Very low172 Ų172137 Ų13780%0.80477%0.773SS**  45.813471.4-55.1169.2124.200113.5
440D39.6Very low36.8Very low148 Ų148135.5 Ų135.579%0.79177%0.766SS**  cis-153.7-168.19.7-170.513.4000110.9
441L38.8Very low37.7Very low164 Ų164139.2 Ų139.286%0.85977%0.772SS**  trans123.166.2161-63.2-179.1000117
442G32.6Very low37.2Very low67 Ų67140.7 Ų140.769%0.69178%0.775SS**  72.2125.8104.900000122.4
443A33.2Very low37.9Very low102 Ų102136.6 Ų136.684%0.84378%0.781SS**  trans67.9148.3153.600000118.5
444C34.7Very low38.8Very low131 Ų131139.4 Ų139.489%0.88578%0.782SS**  cis-147.5165.1-5-133.80000110.7
445A39.5Very low39.3Very low95 Ų95137.9 Ų137.979%0.78578%0.781SS**  trans-85.9139.9176.900000112.1
446Q32.3Very low38.4Very low172 Ų172142 Ų14280%0.80479%0.793SS**  trans-155.1133.9143-155.3163.3-28.700112.1
447F39.2Very low38.6Very low197 Ų197145.9 Ų145.986%0.86480%0.803SS**  trans-97.4118.3163.3173.2-81.2000107.2
448E34.6Very low39.1Very low167 Ų167143 Ų14378%0.7880%0.799SS**  trans-167.6161.8152.4-118.3170.1174.300112.8
449A40.3Very low38.9Very low91 Ų91144 Ų14475%0.75281%0.807SS**  trans-98.6120.5-171.600000112.7
450S34Very low39.1Very low98 Ų98140.9 Ų140.969%0.68581%0.81SS**  trans-160.9117.4148.2-93.70000116.2N452S450-N452 PolarHBondContact O-N 3.29Å
451R50.8Low39.1Very low243 Ų243139.4 Ų139.492%0.91781%0.811SS**  37.179.8122.7-52.2175.2-168.8166.84.9117.3
452N36Very low39.1Very low127 Ų127137.8 Ų137.868%0.67981%0.812SS**  trans-140.396.5150.6-161.75.3000112.5S450 R454S450-N452 PolarHBondContact O-N 3.29Å; N452-R454 PolarHBondContact O-N 3.03Å
453A44.1Very low39.1Very low108 Ų108137.9 Ų137.989%0.89381%0.813SS**  trans-95.762.9176.400000110.7
454R50.7Low39.7Very low197 Ų197140.8 Ų140.874%0.74381%0.813SS**  trans-146.1145.2176.4-53.9-176.7-154.3179.19.2110.6N452N452-R454 PolarHBondContact O-N 3.03Å
455N44.9Very low39.6Very low148 Ų148144.2 Ų144.279%0.79181%0.813SS**  trans62.677.5162.4-53.7-8.9000117
456M37.7Very low39.6Very low186 Ų186146.4 Ų146.492%0.91682%0.817SS**  trans-120.1121.2141.1-77.7-68.4163.300107.5
457M39.8Very low39.8Very low176 Ų176145.9 Ų145.987%0.86781%0.814SS**  trans-81.1127.1-177.9-78.1-77.7-75.300110.6
458P43.5Very low39.7Very low114 Ų114144.1 Ų144.174%0.7481%0.806SS**  trans-77.7118164.3-5.623.4000109.3A460P458-A460 PolarHBondContact O-N 3.37Å; P458-A460 VanDerWaalsContact O-N 3.11Å
459S34.1Very low39.7Very low122 Ų122141 Ų14185%0.85380%0.803SS**  trans-68.9105.7170.2-70.20000110.2S461S459-S461 PolarHBondContact O-N 3.41Å
460A41.7Very low39.7Very low106 Ų106143.5 Ų143.588%0.87680%0.803SS**  trans-75.490.3-179.900000111.7P458P458-A460 PolarHBondContact O-N 3.37Å; P458-A460 VanDerWaalsContact O-N 3.11Å
461S39.6Very low40.1Very low116 Ų116150.2 Ų150.281%0.81181%0.813SS**  trans-15145.7170.3-155.40000114.8S459S459-S461 PolarHBondContact O-N 3.41Å
462C38Very low39.5Very low131 Ų131147.5 Ų147.589%0.88581%0.808SS**SBendtrans-156.8144.1148.154.60000109.1
463G33.3Very low39.9Very low68 Ų68147 Ų14770%0.70181%0.812SS**  trans-94.6150.1-166.100000114.9
464I44.9Very low40.4Very low164 Ų164144.7 Ų144.784%0.84179%0.789SS**  trans5659.2153.2-35.4179.9000115.7
465F32.3Very low41.3Very low203 Ų203137.7 Ų137.789%0.8977%0.771SS**  -135.5113.9129.1-86.7-76.8000108.7E467F465-E467 VanDerWaalsContact C-N 3.31Å; F465-E467 PolarHBondContact O-N 3.19Å
466T39.4Very low42.2Very low140 Ų140138.4 Ų138.486%0.85977%0.769SS**  trans-68.298.5161.8-56.30000106.1F468T466-F468 PolarHBondContact O-N 2.94Å
467E36.8Very low44.1Very low161 Ų161133.6 Ų133.675%0.75275%0.75SS**  trans-57.1113.5176.5-174.2172.2161.100108F465 S469F465-E467 VanDerWaalsContact C-N 3.31Å; F465-E467 PolarHBondContact O-N 3.19Å; E467-S469 PolarHBondContact O-N 2.95Å
468F36.8Very low46.2Very low160 Ų160129.2 Ų129.270%0.70273%0.731SS**  trans-6685.6171.549.6-83.9000106.4T466 L470T466-F468 PolarHBondContact O-N 2.94Å; F468-L470 VanDerWaalsContact C-N 3.31Å; F468-L470 HydrophobicContact CD2-CD2 4.18Å; F468-L470 HydrophobicContact CD2-CG 4.45Å; F468-L470 HydrophobicContact CE2-CD2 4.28Å; F468-L470 PolarHBondContact O-N 3.26Å
469S35.9Very low48.4Very low102 Ų102127 Ų12771%0.71371%0.712SS**  trans-50.2103172.3-80.10000106.7E467 R471E467-S469 PolarHBondContact O-N 2.95Å; S469-R471 PolarHBondContact O-N 2.9Å
470L40.3Very low51Low143 Ų143124.3 Ų124.375%0.74969%0.686SS**  trans-53.6111.1-176.2-78.8168.5000105.5F468 K472F468-L470 VanDerWaalsContact C-N 3.31Å; F468-L470 HydrophobicContact CD2-CD2 4.18Å; F468-L470 HydrophobicContact CD2-CG 4.45Å; F468-L470 HydrophobicContact CE2-CD2 4.28Å; F468-L470 PolarHBondContact O-N 3.26Å; L470-K472 PolarHBondContact O-N 3.48Å
471R40.8Very low53.4Low239 Ų239123.1 Ų123.190%0.90267%0.665SS**  trans-45.2116.8166.6-81.2-79.9-161.6142.83.9103.9S469 P473S469-R471 PolarHBondContact O-N 2.9Å; R471-P473 VanDerWaalsContact O-N 3.08Å
472K38.3Very low55.9Low187 Ų187122.6 Ų122.681%0.81365%0.645SS**  trans-44.1128.1169.2-100.780.2173.8-177.10104.8L470 S474L470-K472 PolarHBondContact O-N 3.48Å; K472-S474 PolarHBondContact O-N 3.13Å
473P43.9Very low58.4Low117 Ų117116.4 Ų116.476%0.7660%0.603SS**  trans-48.8128.2172.722-32.2000105.8R471 S475R471-P473 VanDerWaalsContact O-N 3.08Å; P473-S475 PolarHBondContact O-N 3.18Å; P473-S475 VanDerWaalsContact O-N 3.07Å
474S55Low61.2Low58 Ų58116.2 Ų116.241%0.40659%0.591SS.*  trans-43.7124.3-175.949.50000107.3K472K472-S474 PolarHBondContact O-N 3.13Å
475S69.4Low63.4Low51 Ų51116 Ų11636%0.35758%0.584SS.*  trans-53152.1-16263.70000109.9P473 T477 D478 I479P473-S475 PolarHBondContact O-N 3.18Å; P473-S475 VanDerWaalsContact O-N 3.07Å; S475-T477 CarbonylContact O-C 3.58Å; S475-T477 PolarHBondContact O-N 3.29Å; S475-D478 WeakPolarHBondContact CB-OD2 3.32Å; S475-D478 PolarHBondContact N-OD2 3.3Å; S475-D478 WeakPolarHBondContact O-CA 3.49Å; S475-D478 WeakPolarHBondContact O-CB 3.22Å; S475-D478 PolarHBondContact O-N 2.89Å; S475-D478 PolarHBondContact OG-N 3.15Å; S475-D478 PolarHBondContact OG-OD2 2.96Å; S475-I479 PolarHBondContact O-N 2.86Å
476E65.1Low66.2Low162 Ų162110.1 Ų110.176%0.75756%0.559SS**Hα-helixtrans-50.2-40.8-179.6-165.5165.7-173.700110.4D478 I479 E480E476-D478 PolarHBondContact O-N 3.33Å; E476-I479 PolarHBondContact O-N 3.19Å; E476-E480 WeakPolarHBondContact O-CG 3.42Å; E476-E480 PolarHBondContact O-N 3.18Å
477T76.9Confident68.8Low85 Ų85104.3 Ų104.352%0.52152%0.522SS..Hα-helixtrans-52.2-41.4167.8-31.70000115.4S475 N481S475-T477 CarbonylContact O-C 3.58Å; S475-T477 PolarHBondContact O-N 3.29Å; T477-N481 WeakPolarHBondContact O-CB 3.47Å; T477-N481 PolarHBondContact O-N 3.39Å; T477-N481 PolarHBondContact O-ND2 2.84Å
478D84.9Confident71.4Confident85 Ų8598.3 Ų98.346%0.45550%0.495SS..Hα-helixtrans-66.9-40.8177.9-66.6-51000111.7S475 E476 N481 W482S475-D478 WeakPolarHBondContact CB-OD2 3.32Å; S475-D478 PolarHBondContact N-OD2 3.3Å; S475-D478 WeakPolarHBondContact O-CA 3.49Å; S475-D478 WeakPolarHBondContact O-CB 3.22Å; S475-D478 PolarHBondContact O-N 2.89Å; S475-D478 PolarHBondContact OG-N 3.15Å; S475-D478 PolarHBondContact OG-OD2 2.96Å; E476-D478 PolarHBondContact O-N 3.33Å; D478-N481 PolarHBondContact O-N 3.08Å; D478-W482 WeakPolarHBondContact O-CB 3.26Å; D478-W482 PolarHBondContact O-N 3.31Å
479I88.3Confident74Confident67 Ų6799.1 Ų99.134%0.34450%0.498SS..Hα-helixtrans-70.4-44178.6-59.2177.7000109.8S475 E476 W482 A483 L505S475-I479 PolarHBondContact O-N 2.86Å; E476-I479 PolarHBondContact O-N 3.19Å; I479-W482 PolarHBondContact O-N 3.27Å; I479-A483 VanDerWaalsContact O-CB 3.3Å; I479-A483 WeakPolarHBondContact O-CB 3.38Å; I479-A483 PolarHBondContact O-N 2.81Å; I479-L505 HydrophobicContact CG2-CD1 4.14Å; I479-L505 HydrophobicContact CG2-CD2 4.25Å
480E90.3Very high76.6Confident66 Ų6695.4 Ų95.431%0.30847%0.47SS..Hα-helixtrans-61.4-43.4172.5-70-151.4118.900112.2E476 W482 A483 S484 I501 A502 L505E476-E480 WeakPolarHBondContact O-CG 3.42Å; E476-E480 PolarHBondContact O-N 3.18Å; E480-W482 VanDerWaalsContact C-N 3.33Å; E480-W482 PolarHBondContact O-N 3.35Å; E480-A483 PolarHBondContact O-N 3.19Å; E480-S484 WeakPolarHBondContact O-CB 3.44Å; E480-S484 PolarHBondContact O-N 3.35Å; E480-I501 HydrophobicContact CB-CG2 4.07Å; E480-I501 HydrophobicContact CG-CG2 4.08Å; E480-A502 WeakPolarHBondContact OE1-CB 3.37Å; E480-A502 PolarHBondContact OE1-N 3.07Å; E480-A502 VanDerWaalsContact OE1-N 3.13Å; E480-L505 HydrophobicContact CG-CD1 4.02Å
481N90.3Very high79Confident81 Ų8191.5 Ų91.543%0.43345%0.452SS..Hα-helixtrans-60.9-40.2176.3-85.6-40.3000112.2T477 D478 S484T477-N481 WeakPolarHBondContact O-CB 3.47Å; T477-N481 PolarHBondContact O-N 3.39Å; T477-N481 PolarHBondContact O-ND2 2.84Å; D478-N481 PolarHBondContact O-N 3.08Å; N481-S484 PolarHBondContact O-OG 2.85Å
482W92Very high81.2Confident105 Ų10583.7 Ų83.740%0.39843%0.426SS..Hα-helixtrans-69.2-47.8175.1-179.586.8000111.4D478 I479 E480 S484 K485 H486 F487 I517D478-W482 WeakPolarHBondContact O-CB 3.26Å; D478-W482 PolarHBondContact O-N 3.31Å; I479-W482 PolarHBondContact O-N 3.27Å; E480-W482 VanDerWaalsContact C-N 3.33Å; E480-W482 PolarHBondContact O-N 3.35Å; W482-S484 VanDerWaalsContact C-N 3.29Å; W482-S484 PolarHBondContact O-N 2.94Å; W482-K485 PolarHBondContact O-N 2.96Å; W482-K485 VanDerWaalsContact O-N 3.14Å; W482-H486 AromaticContact CD1-CE1 3.44Å; W482-H486 VanDerWaalsContact CD1-CE1 3.44Å; W482-H486 AromaticContact CD1-ND1 3.38Å; W482-H486 HydrophobicContact CD2-CB 4.41Å; W482-H486 AromaticContact CD2-ND1 3.77Å; W482-H486 AromaticContact CE2-CG 3.7Å; W482-H486 AromaticContact CE2-ND1 3.47Å; W482-H486 AromaticContact CG-ND1 3.7Å; W482-H486 HydrophobicContact CH2-CB 4.13Å; W482-H486 HydrophobicContact CZ2-CB 3.86Å; W482-H486 AromaticContact CZ2-CG 3.89Å; W482-H486 AromaticContact NE1-CE1 3.29Å; W482-H486 PolarHBondContact NE1-CE1 3.28Å; W482-H486 VanDerWaalsContact NE1-CE1 3.29Å; W482-H486 AromaticContact NE1-CG 3.76Å; W482-H486 AromaticContact NE1-ND1 3.21Å; W482-H486 PolarHBondContact NE1-ND1 2.94Å; W482-H486 AromaticContact NE1-NE2 3.86Å; W482-H486 PolarHBondContact O-N 3.32Å; W482-H486 VanDerWaalsContact O-N 3.15Å; W482-H486 PolarHBondContact O-ND1 3Å; W482-F487 HydrophobicContact CE3-CE1 4.48Å; W482-F487 HydrophobicContact CH2-CE1 4.43Å; W482-F487 HydrophobicContact CZ3-CD1 4.32Å; W482-F487 AromaticContact CZ3-CE1 3.7Å; W482-F487 HydrophobicContact CZ3-CE1 3.7Å; W482-I517 HydrophobicContact CH2-CD1 4.04Å; W482-I517 HydrophobicContact CH2-CG1 4.26Å
483A92.4Very high83.4Confident1 Ų177.5 Ų77.51%0.00842%0.415CS..Hα-helixtrans-59.6-38.2178.100000112.1I479 E480 K485 H486 F487 I501 L505I479-A483 VanDerWaalsContact O-CB 3.3Å; I479-A483 WeakPolarHBondContact O-CB 3.38Å; I479-A483 PolarHBondContact O-N 2.81Å; E480-A483 PolarHBondContact O-N 3.19Å; A483-K485 PolarHBondContact O-N 3.48Å; A483-H486 PolarHBondContact O-N 2.94Å; A483-F487 HydrophobicContact CB-CD1 4.17Å; A483-F487 HydrophobicContact CB-CD2 3.83Å; A483-F487 HydrophobicContact CB-CE1 4.18Å; A483-F487 HydrophobicContact CB-CE2 3.82Å; A483-F487 HydrophobicContact CB-CG 4.01Å; A483-F487 HydrophobicContact CB-CZ 3.99Å; A483-F487 VanDerWaalsContact O-CB 3.28Å; A483-F487 WeakPolarHBondContact O-CB 3.29Å; A483-F487 PolarHBondContact O-N 3.45Å; A483-I501 HydrophobicContact CB-CG2 3.75Å; A483-L505 HydrophobicContact CB-CD1 4.45Å; A483-L505 HydrophobicContact CB-CD2 4.43Å
484S90.7Very high85.3Confident64 Ų6479.6 Ų79.645%0.44842%0.419SS..Hα-helixtrans-55.7-27.4177.279.80000114.1E480 N481 W482 I501E480-S484 WeakPolarHBondContact O-CB 3.44Å; E480-S484 PolarHBondContact O-N 3.35Å; N481-S484 PolarHBondContact O-OG 2.85Å; W482-S484 VanDerWaalsContact C-N 3.29Å; W482-S484 PolarHBondContact O-N 2.94Å; S484-I501 VanDerWaalsContact CB-CD1 3.47Å
485K91.6Very high86.9Confident158 Ų15884.2 Ų84.269%0.68743%0.432SS*.Hα-helixtrans-97.8-31.6-177.7-63.4168.4-171.2175.60112.6W482 A483W482-K485 PolarHBondContact O-N 2.96Å; W482-K485 VanDerWaalsContact O-N 3.14Å; A483-K485 PolarHBondContact O-N 3.48Å
486H91.1Very high87.8Confident81 Ų8191 Ų9138%0.37545%0.45SS..Hα-helixtrans-111.7-10.4-169.2-57.490.5000114.9W482 A483 I517 V518W482-H486 AromaticContact CD1-CE1 3.44Å; W482-H486 VanDerWaalsContact CD1-CE1 3.44Å; W482-H486 AromaticContact CD1-ND1 3.38Å; W482-H486 HydrophobicContact CD2-CB 4.41Å; W482-H486 AromaticContact CD2-ND1 3.77Å; W482-H486 AromaticContact CE2-CG 3.7Å; W482-H486 AromaticContact CE2-ND1 3.47Å; W482-H486 AromaticContact CG-ND1 3.7Å; W482-H486 HydrophobicContact CH2-CB 4.13Å; W482-H486 HydrophobicContact CZ2-CB 3.86Å; W482-H486 AromaticContact CZ2-CG 3.89Å; W482-H486 AromaticContact NE1-CE1 3.29Å; W482-H486 PolarHBondContact NE1-CE1 3.28Å; W482-H486 VanDerWaalsContact NE1-CE1 3.29Å; W482-H486 AromaticContact NE1-CG 3.76Å; W482-H486 AromaticContact NE1-ND1 3.21Å; W482-H486 PolarHBondContact NE1-ND1 2.94Å; W482-H486 AromaticContact NE1-NE2 3.86Å; W482-H486 PolarHBondContact O-N 3.32Å; W482-H486 VanDerWaalsContact O-N 3.15Å; W482-H486 PolarHBondContact O-ND1 3Å; A483-H486 PolarHBondContact O-N 2.94Å; H486-I517 CarbonylContact O-C 3.58Å; H486-I517 WeakPolarHBondContact O-CA 3.43Å; H486-V518 WeakPolarHBondContact O-CG2 3.45Å; H486-V518 PolarHBondContact O-N 3.05Å
487F93.4Very high89.1Confident18 Ų1891.8 Ų91.88%0.07945%0.446CS..BIsolated β-bridgetrans-87.5147.3178.2-77.79000113.3W482 A483 M504 L505 M516 I517W482-F487 HydrophobicContact CE3-CE1 4.48Å; W482-F487 HydrophobicContact CH2-CE1 4.43Å; W482-F487 HydrophobicContact CZ3-CD1 4.32Å; W482-F487 AromaticContact CZ3-CE1 3.7Å; W482-F487 HydrophobicContact CZ3-CE1 3.7Å; A483-F487 HydrophobicContact CB-CD1 4.17Å; A483-F487 HydrophobicContact CB-CD2 3.83Å; A483-F487 HydrophobicContact CB-CE1 4.18Å; A483-F487 HydrophobicContact CB-CE2 3.82Å; A483-F487 HydrophobicContact CB-CG 4.01Å; A483-F487 HydrophobicContact CB-CZ 3.99Å; A483-F487 VanDerWaalsContact O-CB 3.28Å; A483-F487 WeakPolarHBondContact O-CB 3.29Å; A483-F487 PolarHBondContact O-N 3.45Å; F487-M504 HydrophobicContact CB-CE 4.37Å; F487-M504 HydrophobicContact CD2-CB 4.12Å; F487-M504 HydrophobicContact CD2-CE 4.14Å; F487-M504 HydrophobicContact CD2-SD 4.36Å; F487-M504 HydrophobicContact CE2-CB 4.26Å; F487-L505 HydrophobicContact CE2-CD2 3.65Å; F487-L505 HydrophobicContact CE2-CG 4.23Å; F487-L505 HydrophobicContact CZ-CD2 3.74Å; F487-M516 CarbonylContact C-O 3.53Å; F487-M516 VanDerWaalsContact CA-O 3.25Å; F487-M516 WeakPolarHBondContact CA-O 3.5Å; F487-M516 HydrophobicContact CD1-CG 4.12Å; F487-M516 HydrophobicContact CD2-CG 3.84Å; F487-M516 HydrophobicContact CD2-SD 4.48Å; F487-M516 HydrophobicContact CE1-CE 4.17Å; F487-M516 HydrophobicContact CE1-CG 3.85Å; F487-M516 HydrophobicContact CE1-SD 4.37Å; F487-M516 HydrophobicContact CE2-CE 4.35Å; F487-M516 HydrophobicContact CE2-CG 3.58Å; F487-M516 HydrophobicContact CE2-SD 3.67Å; F487-M516 HydrophobicContact CG-CG 4.11Å; F487-M516 HydrophobicContact CZ-CE 3.67Å; F487-M516 HydrophobicContact CZ-CG 3.59Å; F487-M516 HydrophobicContact CZ-SD 3.61Å; F487-I517 HydrophobicContact CD1-CG1 4.14Å; F487-I517 HydrophobicContact CE1-CG1 3.99Å
488N92.5Very high89.8Confident35 Ų3596.3 Ų96.319%0.18746%0.458CS..  trans-66.9142.4167.7-75.8-60.5000110.5H490 P515 M516 I517N488-H490 PolarHBondContact O-CD2 3.39Å; N488-H490 VanDerWaalsContact O-CD2 3.28Å; N488-H490 PolarHBondContact O-N 3.34Å; N488-P515 PolarHBondContact ND2-O 3.44Å; N488-M516 PolarHBondContact N-O 3.28Å; N488-I517 PolarHBondContact ND2-O 3.18Å
489K91.6Very high90.1Very high176 Ų17693.7 Ų93.777%0.76545%0.445SS*.  trans-70.599.1172.1-69.5167.4-177.1166.50109.6
490H89.4Confident90.4Very high25 Ų2593.8 Ų93.812%0.11645%0.452CS..  trans-79.9151.2175-80.3-81.9000112.2N488 K498 V499 M504 K514 P515N488-H490 PolarHBondContact O-CD2 3.39Å; N488-H490 VanDerWaalsContact O-CD2 3.28Å; N488-H490 PolarHBondContact O-N 3.34Å; H490-K498 WeakPolarHBondContact O-CA 3.3Å; H490-V499 HydrophobicContact CB-CB 4.19Å; H490-V499 HydrophobicContact CB-CG2 3.99Å; H490-V499 PolarHBondContact O-N 2.83Å; H490-M504 HydrophobicContact CB-SD 3.92Å; H490-K514 PolarHBondContact CE1-O 3.07Å; H490-K514 VanDerWaalsContact CE1-O 3.31Å; H490-P515 PolarHBondContact NE2-O 3.4Å
491T90.9Very high90.5Very high61 Ų6193 Ų9337%0.37445%0.449SS..EExtended strand (participates in β ladder)trans-139.4128.5-179.458.40000111.1R496 R497T491-R496 WeakPolarHBondContact CB-O 3.45Å; T491-R496 WeakPolarHBondContact CG2-O 3.43Å; T491-R497 CarbonylContact C-O 3.52Å; T491-R497 WeakPolarHBondContact CA-O 3.35Å
492Q86.9Confident90.5Very high74 Ų7491.8 Ų91.835%0.34645%0.45SS..EExtended strand (participates in β ladder)trans-116.4156.9-175.4-161.9-179.83.400111.4R497 V499 E510Q492-R497 PolarHBondContact N-O 2.91Å; Q492-R497 PolarHBondContact O-N 3.32Å; Q492-V499 HydrophobicContact CB-CG2 3.94Å; Q492-E510 PolarHBondContact NE2-OE1 3.39Å
493G84.2Confident90.5Very high57 Ų5790.9 Ų90.959%0.58845%0.453SS*.THydrogen-bonded Turntrans68.2172.2-179.100000115.4F495 R496G493-F495 VanDerWaalsContact C-N 3.29Å; G493-F495 PolarHBondContact O-N 3.2Å; G493-R496 PolarHBondContact O-N 3.44Å; G493-R496 VanDerWaalsContact O-N 3.1Å
494L84Confident90.5Very high161 Ų16192.4 Ų92.484%0.84346%0.46SS*.THydrogen-bonded Turntrans-59.6-39.5179.3-176.861.7000112.2R496L494-R496 PolarHBondContact O-N 2.9Å
495F88.9Confident90.5Very high156 Ų15692.7 Ų92.768%0.68446%0.457SS*.THydrogen-bonded Turntrans-75.85.8178-56-69.5000114.4G493 R497G493-F495 VanDerWaalsContact C-N 3.29Å; G493-F495 PolarHBondContact O-N 3.2Å; F495-R497 HydrophobicContact CB-CG 4.2Å; F495-R497 PolarHBondContact O-N 3.48Å; F495-R497 VanDerWaalsContact O-N 3.1Å
496R87.6Confident90.5Very high192 Ų19287.9 Ų87.973%0.72545%0.446SS*.THydrogen-bonded Turntrans51.736.3175.3-45.3178.680.1-160.810.7113.4T491 G493 L494T491-R496 WeakPolarHBondContact CB-O 3.45Å; T491-R496 WeakPolarHBondContact CG2-O 3.43Å; G493-R496 PolarHBondContact O-N 3.44Å; G493-R496 VanDerWaalsContact O-N 3.1Å; L494-R496 PolarHBondContact O-N 2.9Å
497R92.8Very high90.6Very high179 Ų17992 Ų9268%0.67546%0.459SS*.EExtended strand (participates in β ladder)trans-62.7137.1-178.7-65.9179.4-176.8154.50.8109.3T491 Q492 F495T491-R497 CarbonylContact C-O 3.52Å; T491-R497 WeakPolarHBondContact CA-O 3.35Å; Q492-R497 PolarHBondContact N-O 2.91Å; Q492-R497 PolarHBondContact O-N 3.32Å; F495-R497 HydrophobicContact CB-CG 4.2Å; F495-R497 PolarHBondContact O-N 3.48Å; F495-R497 VanDerWaalsContact O-N 3.1Å
498K92.4Very high90.5Very high181 Ų18193.2 Ų93.279%0.78747%0.469SS*.EExtended strand (participates in β ladder)trans-63.7134.2178.1-65.3172.6-175.2165.80109.7H490H490-K498 WeakPolarHBondContact O-CA 3.3Å
499V91.8Very high90.4Very high29 Ų2994.7 Ų94.718%0.17648%0.483CS..PPolyproline II helixtrans-77.9137.6169.9-170.80000108.3H490 Q492 N503 M504H490-V499 HydrophobicContact CB-CB 4.19Å; H490-V499 HydrophobicContact CB-CG2 3.99Å; H490-V499 PolarHBondContact O-N 2.83Å; Q492-V499 HydrophobicContact CB-CG2 3.94Å; V499-N503 HydrophobicContact CG1-CB 3.87Å; V499-M504 HydrophobicContact CB-CG 3.98Å; V499-M504 HydrophobicContact CG1-CG 3.66Å
500S93.4Very high90.3Very high70 Ų7090.4 Ų90.449%0.4947%0.465SS..PPolyproline II helixtrans-74.6162.1175.761.30000111.5N503 M504S500-N503 CarbonylContact O-C 3.58Å; S500-N503 PolarHBondContact O-N 2.85Å; S500-N503 VanDerWaalsContact OG-CB 3.26Å; S500-N503 WeakPolarHBondContact OG-CB 3.43Å; S500-N503 PolarHBondContact OG-N 2.88Å; S500-M504 WeakPolarHBondContact O-CG 3.39Å; S500-M504 PolarHBondContact O-N 2.93Å
501I92.4Very high90.3Very high50 Ų5091.7 Ų91.726%0.25648%0.476SS..Hα-helixtrans-64.5-50.7-177.9-65.8156000110.9E480 A483 S484 N503 M504 L505E480-I501 HydrophobicContact CB-CG2 4.07Å; E480-I501 HydrophobicContact CG-CG2 4.08Å; A483-I501 HydrophobicContact CB-CG2 3.75Å; S484-I501 VanDerWaalsContact CB-CD1 3.47Å; I501-N503 PolarHBondContact O-N 3.22Å; I501-M504 HydrophobicContact CB-CE 4.46Å; I501-M504 HydrophobicContact CG1-CE 3.96Å; I501-M504 CarbonylContact O-C 3.59Å; I501-M504 WeakPolarHBondContact O-CA 3.16Å; I501-M504 WeakPolarHBondContact O-CB 3.42Å; I501-M504 PolarHBondContact O-N 3.12Å; I501-L505 HydrophobicContact CG2-CD1 3.85Å; I501-L505 HydrophobicContact CG2-CG 4.4Å; I501-L505 WeakPolarHBondContact O-CG 3.16Å; I501-L505 PolarHBondContact O-N 3.18Å
502A91.3Very high90.4Very high54 Ų5490.6 Ų90.645%0.44647%0.467SS..Hα-helixtrans-46.7-43.8168.900000113.5E480 M504 L505 A506E480-A502 WeakPolarHBondContact OE1-CB 3.37Å; E480-A502 PolarHBondContact OE1-N 3.07Å; E480-A502 VanDerWaalsContact OE1-N 3.13Å; A502-M504 VanDerWaalsContact C-N 3.34Å; A502-M504 PolarHBondContact O-N 3.29Å; A502-L505 PolarHBondContact O-N 3.2Å; A502-A506 WeakPolarHBondContact O-CB 3.44Å; A502-A506 PolarHBondContact O-N 3.27Å
503N91.6Very high90.5Very high87 Ų8794.3 Ų94.347%0.46548%0.482SS..Hα-helixtrans-82.3-7.3180-155.9112000113.7V499 S500 I501V499-N503 HydrophobicContact CG1-CB 3.87Å; S500-N503 CarbonylContact O-C 3.58Å; S500-N503 PolarHBondContact O-N 2.85Å; S500-N503 VanDerWaalsContact OG-CB 3.26Å; S500-N503 WeakPolarHBondContact OG-CB 3.43Å; S500-N503 PolarHBondContact OG-N 2.88Å; I501-N503 PolarHBondContact O-N 3.22Å
504M92.1Very high90.8Very high32 Ų3296.8 Ų96.816%0.15848%0.477CS..Hα-helixtrans-90.5-21.4164.8-69.9-173.5-6700112.3F487 H490 V499 S500 I501 A502F487-M504 HydrophobicContact CB-CE 4.37Å; F487-M504 HydrophobicContact CD2-CB 4.12Å; F487-M504 HydrophobicContact CD2-CE 4.14Å; F487-M504 HydrophobicContact CD2-SD 4.36Å; F487-M504 HydrophobicContact CE2-CB 4.26Å; H490-M504 HydrophobicContact CB-SD 3.92Å; V499-M504 HydrophobicContact CB-CG 3.98Å; V499-M504 HydrophobicContact CG1-CG 3.66Å; S500-M504 WeakPolarHBondContact O-CG 3.39Å; S500-M504 PolarHBondContact O-N 2.93Å; I501-M504 HydrophobicContact CB-CE 4.46Å; I501-M504 HydrophobicContact CG1-CE 3.96Å; I501-M504 CarbonylContact O-C 3.59Å; I501-M504 WeakPolarHBondContact O-CA 3.16Å; I501-M504 WeakPolarHBondContact O-CB 3.42Å; I501-M504 PolarHBondContact O-N 3.12Å; A502-M504 VanDerWaalsContact C-N 3.34Å; A502-M504 PolarHBondContact O-N 3.29Å
505L91.4Very high91.2Very high71 Ų7189.6 Ų89.637%0.37244%0.439SS..Hα-helixtrans-90.3-23.5175.3-66.4170.8000112.6I479 E480 A483 F487 I501 A502I479-L505 HydrophobicContact CG2-CD1 4.14Å; I479-L505 HydrophobicContact CG2-CD2 4.25Å; E480-L505 HydrophobicContact CG-CD1 4.02Å; A483-L505 HydrophobicContact CB-CD1 4.45Å; A483-L505 HydrophobicContact CB-CD2 4.43Å; F487-L505 HydrophobicContact CE2-CD2 3.65Å; F487-L505 HydrophobicContact CE2-CG 4.23Å; F487-L505 HydrophobicContact CZ-CD2 3.74Å; I501-L505 HydrophobicContact CG2-CD1 3.85Å; I501-L505 HydrophobicContact CG2-CG 4.4Å; I501-L505 WeakPolarHBondContact O-CG 3.16Å; I501-L505 PolarHBondContact O-N 3.18Å; A502-L505 PolarHBondContact O-N 3.2Å
506A91.9Very high91.4Very high56 Ų5686 Ų8646%0.46343%0.426SS..SBendtrans-68.1155.3172.200000112.7A502A502-A506 WeakPolarHBondContact O-CB 3.44Å; A502-A506 PolarHBondContact O-N 3.27Å
507W93.2Very high91.6Very high168 Ų16879.7 Ų79.764%0.63641%0.406SS*.  trans-59.8143.7169.9167.387.6000111.4D541W507-D541 WeakPolarHBondContact CZ2-OD1 3.47Å; W507-D541 PolarHBondContact NE1-OD2 2.93Å
508S90.6Very high91.5Very high44 Ų4475.3 Ų75.331%0.30840%0.399SS..  trans-145.8136.3176.4-171.90000110.9E510 Q536S508-E510 PolarHBondContact OG-N 3.46Å; S508-Q536 PolarHBondContact O-NE2 3.4Å
509S89.4Confident91.3Very high66 Ų6668.7 Ų68.746%0.46237%0.374SS..SBendtrans-87.5-11.3172.854.70000113.5Q536S509-Q536 PolarHBondContact O-NE2 2.86Å
510E90.8Very high91.2Very high86 Ų8674 Ų7440%0.40241%0.406SS..SBendtrans-72.5143.4170.8-77.9-168-14600110.7Q492 S508 F532 Q536Q492-E510 PolarHBondContact NE2-OE1 3.39Å; S508-E510 PolarHBondContact OG-N 3.46Å; E510-F532 WeakPolarHBondContact O-CE1 3.43Å; E510-Q536 PolarHBondContact O-NE2 3.38Å
511P89.8Confident91Very high51 Ų5174.3 Ų74.333%0.33140%0.403SS..PPolyproline II helixtrans-71.1130171.426.4-28000111
512I91.3Very high90.9Very high39 Ų3982.5 Ų82.520%0.243%0.43CS..PPolyproline II helixtrans-59.6140.7167.866.4-178.2000110.5K514 V529 F532I512-K514 WeakPolarHBondContact CD1-O 3.42Å; I512-K514 WeakPolarHBondContact CG1-O 3.31Å; I512-V529 HydrophobicContact CG1-CG2 4.37Å; I512-V529 WeakPolarHBondContact O-CG1 3.36Å; I512-F532 HydrophobicContact CB-CD1 4.23Å; I512-F532 HydrophobicContact CB-CE1 4.41Å; I512-F532 HydrophobicContact CD1-CB 3.62Å; I512-F532 HydrophobicContact CD1-CD1 4.14Å; I512-F532 HydrophobicContact CD1-CD2 3.96Å; I512-F532 HydrophobicContact CD1-CG 3.63Å; I512-F532 HydrophobicContact CG1-CB 3.82Å; I512-F532 HydrophobicContact CG1-CD1 3.68Å; I512-F532 HydrophobicContact CG1-CD2 4.39Å; I512-F532 HydrophobicContact CG1-CE1 4.33Å; I512-F532 HydrophobicContact CG1-CG 3.7Å; I512-F532 HydrophobicContact CG2-CD1 4.02Å; I512-F532 HydrophobicContact CG2-CD2 4.44Å; I512-F532 HydrophobicContact CG2-CE1 3.79Å; I512-F532 HydrophobicContact CG2-CE2 4.25Å; I512-F532 HydrophobicContact CG2-CG 4.33Å; I512-F532 HydrophobicContact CG2-CZ 3.92Å
513K90.3Very high90.8Very high151 Ų15181.3 Ų81.366%0.65742%0.424SS*.SBendtrans-98.5-1.7-177.1-62.4174.5-174.4168.70113.3
514K90.9Very high90.6Very high110 Ų11079.4 Ų79.448%0.47842%0.415SS..SBendtrans-154.8159-177.7-63.6-176.6-178.4177.10107.6H490 I512H490-K514 PolarHBondContact CE1-O 3.07Å; H490-K514 VanDerWaalsContact CE1-O 3.31Å; I512-K514 WeakPolarHBondContact CD1-O 3.42Å; I512-K514 WeakPolarHBondContact CG1-O 3.31Å
515P92.4Very high90.5Very high9 Ų981.5 Ų81.56%0.05842%0.423CS..  trans-55.7150.7167.822.7-33.1000111.4N488 H490 T519 K525 A528N488-P515 PolarHBondContact ND2-O 3.44Å; H490-P515 PolarHBondContact NE2-O 3.4Å; P515-T519 HydrophobicContact CB-CG2 4.45Å; P515-T519 HydrophobicContact CG-CG2 3.95Å; P515-K525 HydrophobicContact CG-CB 4.48Å; P515-K525 HydrophobicContact CG-CG 3.9Å; P515-A528 HydrophobicContact CB-CB 3.9Å
516M91.4Very high90.5Very high81 Ų8185 Ų8540%0.39944%0.435SS..SBendtrans-68.4-47177.1-170165.565.500111.2F487 N488F487-M516 CarbonylContact C-O 3.53Å; F487-M516 VanDerWaalsContact CA-O 3.25Å; F487-M516 WeakPolarHBondContact CA-O 3.5Å; F487-M516 HydrophobicContact CD1-CG 4.12Å; F487-M516 HydrophobicContact CD2-CG 3.84Å; F487-M516 HydrophobicContact CD2-SD 4.48Å; F487-M516 HydrophobicContact CE1-CE 4.17Å; F487-M516 HydrophobicContact CE1-CG 3.85Å; F487-M516 HydrophobicContact CE1-SD 4.37Å; F487-M516 HydrophobicContact CE2-CE 4.35Å; F487-M516 HydrophobicContact CE2-CG 3.58Å; F487-M516 HydrophobicContact CE2-SD 3.67Å; F487-M516 HydrophobicContact CG-CG 4.11Å; F487-M516 HydrophobicContact CZ-CE 3.67Å; F487-M516 HydrophobicContact CZ-CG 3.59Å; F487-M516 HydrophobicContact CZ-SD 3.61Å; N488-M516 PolarHBondContact N-O 3.28Å
517I92.4Very high90.5Very high60 Ų6086.8 Ų86.831%0.30843%0.434SS..BIsolated β-bridgetrans-85.8144.1177.9-60.5168.5000110.7W482 H486 F487 N488 T519W482-I517 HydrophobicContact CH2-CD1 4.04Å; W482-I517 HydrophobicContact CH2-CG1 4.26Å; H486-I517 CarbonylContact O-C 3.58Å; H486-I517 WeakPolarHBondContact O-CA 3.43Å; F487-I517 HydrophobicContact CD1-CG1 4.14Å; F487-I517 HydrophobicContact CE1-CG1 3.99Å; N488-I517 PolarHBondContact ND2-O 3.18Å; I517-T519 PolarHBondContact O-N 3.23Å
518V89.9Confident90.4Very high86 Ų8679.9 Ų79.952%0.52141%0.413SS..  trans-63.4126.9172.3177.40000109.9H486H486-V518 WeakPolarHBondContact O-CG2 3.45Å; H486-V518 PolarHBondContact O-N 3.05Å
519T88.5Confident90.4Very high43 Ų4378.9 Ų78.926%0.26441%0.405SS..  trans-141.8150.7174.2174.60000110.1P515 I517 D521 V524 K525P515-T519 HydrophobicContact CB-CG2 4.45Å; P515-T519 HydrophobicContact CG-CG2 3.95Å; I517-T519 PolarHBondContact O-N 3.23Å; T519-D521 PolarHBondContact OG1-N 3.45Å; T519-V524 HydrophobicContact CG2-CG1 4.25Å; T519-K525 HydrophobicContact CG2-CG 4.03Å; T519-K525 WeakPolarHBondContact O-CE 3.43Å; T519-K525 PolarHBondContact O-NZ 3.29Å
520T89.9Confident90.6Very high139 Ų13978.6 Ų78.685%0.85340%0.398SS*.SBendtrans-84.8-34.7175.845.40000112.5K525T520-K525 PolarHBondContact O-NZ 3.21Å
521D89.8Confident90.7Very high78 Ų7874.7 Ų74.742%0.41738%0.38SS..  trans-63.4147.9-176.7179.834.4000113.1T519 G523 V524 K525T519-D521 PolarHBondContact OG1-N 3.45Å; D521-G523 VanDerWaalsContact CG-N 3.34Å; D521-G523 PolarHBondContact OD1-N 3.04Å; D521-G523 VanDerWaalsContact OD1-N 3.1Å; D521-G523 WeakPolarHBondContact OD2-CA 3.46Å; D521-G523 PolarHBondContact OD2-N 3.13Å; D521-G523 VanDerWaalsContact OD2-N 3.12Å; D521-V524 HydrophobicContact CB-CB 4.44Å; D521-V524 HydrophobicContact CB-CG2 4.43Å; D521-V524 WeakPolarHBondContact OD2-CG2 3.41Å; D521-V524 PolarHBondContact OD2-N 2.96Å; D521-K525 VanDerWaalsContact O-CD 3.3Å; D521-K525 WeakPolarHBondContact O-CD 3.42Å; D521-K525 WeakPolarHBondContact O-CG 3.47Å; D521-K525 PolarHBondContact O-NZ 3.04Å
522R89.8Confident90.8Very high221 Ų22174.6 Ų74.683%0.83437%0.374SS*.SBendtrans-90.3-28.1177-60.7-178.1-177.2-1751.8112.4
523G88.9Confident90.9Very high30 Ų3076.2 Ų76.231%0.30938%0.38SS..Hα-helixtrans-65-63174.300000111.1D521 K525 K526 E527D521-G523 VanDerWaalsContact CG-N 3.34Å; D521-G523 PolarHBondContact OD1-N 3.04Å; D521-G523 VanDerWaalsContact OD1-N 3.1Å; D521-G523 WeakPolarHBondContact OD2-CA 3.46Å; D521-G523 PolarHBondContact OD2-N 3.13Å; D521-G523 VanDerWaalsContact OD2-N 3.12Å; G523-K525 PolarHBondContact O-N 3.36Å; G523-K526 PolarHBondContact O-N 3.48Å; G523-E527 PolarHBondContact O-N 3.29Å
524V88.6Confident91Very high46 Ų4669.9 Ų69.928%0.27935%0.353SS..Hα-helixtrans-53.6-33.1177.5178.80000112.5T519 D521 K526 A528 L562T519-V524 HydrophobicContact CG2-CG1 4.25Å; D521-V524 HydrophobicContact CB-CB 4.44Å; D521-V524 HydrophobicContact CB-CG2 4.43Å; D521-V524 WeakPolarHBondContact OD2-CG2 3.41Å; D521-V524 PolarHBondContact OD2-N 2.96Å; V524-K526 VanDerWaalsContact C-N 3.32Å; V524-K526 PolarHBondContact O-N 3.06Å; V524-A528 WeakPolarHBondContact O-CB 3.28Å; V524-A528 PolarHBondContact O-N 3.21Å; V524-L562 HydrophobicContact CB-CD2 4.49Å; V524-L562 HydrophobicContact CG1-CD2 4.37Å; V524-L562 HydrophobicContact CG2-CD2 3.85Å
525K90Very high91.1Very high76 Ų7665.9 Ų65.933%0.3334%0.337SS..Hα-helixtrans-60.5-36.8174.9-88.8177.8-170.582.70113.8P515 T519 T520 D521 G523 V529P515-K525 HydrophobicContact CG-CB 4.48Å; P515-K525 HydrophobicContact CG-CG 3.9Å; T519-K525 HydrophobicContact CG2-CG 4.03Å; T519-K525 WeakPolarHBondContact O-CE 3.43Å; T519-K525 PolarHBondContact O-NZ 3.29Å; T520-K525 PolarHBondContact O-NZ 3.21Å; D521-K525 VanDerWaalsContact O-CD 3.3Å; D521-K525 WeakPolarHBondContact O-CD 3.42Å; D521-K525 WeakPolarHBondContact O-CG 3.47Å; D521-K525 PolarHBondContact O-NZ 3.04Å; G523-K525 PolarHBondContact O-N 3.36Å; K525-V529 WeakPolarHBondContact O-CG2 3.42Å
526K90.6Very high91.1Very high144 Ų14465.6 Ų65.663%0.62634%0.335SS*.Hα-helixtrans-80.7-51.8177.4-176-166.3169.6-159.60109.7G523 V524 A528 V529 D530G523-K526 PolarHBondContact O-N 3.48Å; V524-K526 VanDerWaalsContact C-N 3.32Å; V524-K526 PolarHBondContact O-N 3.06Å; K526-A528 PolarHBondContact O-N 3.29Å; K526-V529 WeakPolarHBondContact O-CB 3.13Å; K526-V529 PolarHBondContact O-N 3.14Å; K526-D530 PolarHBondContact O-N 2.73Å; K526-D530 VanDerWaalsContact O-N 3.1Å
527E91.2Very high91.2Very high95 Ų9563 Ų6344%0.44432%0.324SS..Hα-helixtrans-60.7-43-174.4-68.9172.5172.500112.1G523 V529 D530 I531 L562G523-E527 PolarHBondContact O-N 3.29Å; E527-V529 PolarHBondContact O-N 2.81Å; E527-D530 PolarHBondContact O-N 3.34Å; E527-D530 VanDerWaalsContact O-N 3.07Å; E527-I531 HydrophobicContact CB-CD1 4.39Å; E527-I531 WeakPolarHBondContact O-CB 3.4Å; E527-I531 VanDerWaalsContact O-CG1 3.27Å; E527-I531 WeakPolarHBondContact O-CG1 3.08Å; E527-I531 PolarHBondContact O-N 2.82Å; E527-L562 HydrophobicContact CB-CD2 4.49Å; E527-L562 WeakPolarHBondContact OE2-CD2 3.34Å
528A91.3Very high91.2Very high23 Ų2363.3 Ų63.319%0.1932%0.323CS..Hα-helixtrans-61.5-27.317600000113.9P515 V524 K526 F532P515-A528 HydrophobicContact CB-CB 3.9Å; V524-A528 WeakPolarHBondContact O-CB 3.28Å; V524-A528 PolarHBondContact O-N 3.21Å; K526-A528 PolarHBondContact O-N 3.29Å; A528-F532 WeakPolarHBondContact O-CB 3.33Å; A528-F532 PolarHBondContact O-N 2.86Å
529V91.9Very high91.2Very high23 Ų2363.7 Ų63.714%0.13932%0.32CS..Hα-helixtrans-79.2-33.7175.4168.20000111.2I512 K525 K526 E527 K533I512-V529 HydrophobicContact CG1-CG2 4.37Å; I512-V529 WeakPolarHBondContact O-CG1 3.36Å; K525-V529 WeakPolarHBondContact O-CG2 3.42Å; K526-V529 WeakPolarHBondContact O-CB 3.13Å; K526-V529 PolarHBondContact O-N 3.14Å; E527-V529 PolarHBondContact O-N 2.81Å; V529-K533 WeakPolarHBondContact O-CE 3.35Å; V529-K533 WeakPolarHBondContact O-CG 3.36Å; V529-K533 PolarHBondContact O-N 3.18Å
530D92.7Very high91.4Very high59 Ų5964.3 Ų64.332%0.31634%0.335SS..Hα-helixtrans-77.8-43.3177.4-69.2-31.9000111.5K526 E527 F532 K533 L534K526-D530 PolarHBondContact O-N 2.73Å; K526-D530 VanDerWaalsContact O-N 3.1Å; E527-D530 PolarHBondContact O-N 3.34Å; E527-D530 VanDerWaalsContact O-N 3.07Å; D530-F532 VanDerWaalsContact C-N 3.28Å; D530-F532 PolarHBondContact O-N 3.33Å; D530-K533 WeakPolarHBondContact O-CB 3.25Å; D530-K533 PolarHBondContact O-N 2.97Å; D530-K533 IonicContact OD1-NZ 2.64Å; D530-K533 PolarHBondContact OD1-NZ 2.93Å; D530-L534 PolarHBondContact O-N 3.47Å
531I92.1Very high91.4Very high5 Ų560.5 Ų60.53%0.02631%0.309CS..Hα-helixtrans-55-41.7170.3-70.9163.4000111.2E527 K533 L534 I535 Q558 F559 L562E527-I531 HydrophobicContact CB-CD1 4.39Å; E527-I531 WeakPolarHBondContact O-CB 3.4Å; E527-I531 VanDerWaalsContact O-CG1 3.27Å; E527-I531 WeakPolarHBondContact O-CG1 3.08Å; E527-I531 PolarHBondContact O-N 2.82Å; I531-K533 VanDerWaalsContact C-N 3.31Å; I531-K533 PolarHBondContact O-N 3.42Å; I531-L534 CarbonylContact O-C 3.53Å; I531-L534 WeakPolarHBondContact O-CA 3.29Å; I531-L534 WeakPolarHBondContact O-CB 3.28Å; I531-L534 PolarHBondContact O-N 2.83Å; I531-I535 HydrophobicContact CG2-CD1 4Å; I531-I535 HydrophobicContact CG2-CG1 4.37Å; I531-I535 WeakPolarHBondContact O-CG1 3.46Å; I531-I535 PolarHBondContact O-N 3.15Å; I531-Q558 HydrophobicContact CD1-CB 3.88Å; I531-Q558 HydrophobicContact CG1-CB 3.82Å; I531-F559 HydrophobicContact CG2-CD2 4.33Å; I531-F559 HydrophobicContact CG2-CE1 4.23Å; I531-F559 HydrophobicContact CG2-CE2 3.88Å; I531-F559 HydrophobicContact CG2-CZ 3.83Å; I531-L562 HydrophobicContact CD1-CD1 3.34Å; I531-L562 HydrophobicContact CD1-CG 3.99Å
532F93Very high91.4Very high49 Ų4960.3 Ų60.322%0.21530%0.303CS..Hα-helixtrans-64.4-34.6178-175.1-94.7000112.9E510 I512 A528 D530 L534 Q536E510-F532 WeakPolarHBondContact O-CE1 3.43Å; I512-F532 HydrophobicContact CB-CD1 4.23Å; I512-F532 HydrophobicContact CB-CE1 4.41Å; I512-F532 HydrophobicContact CD1-CB 3.62Å; I512-F532 HydrophobicContact CD1-CD1 4.14Å; I512-F532 HydrophobicContact CD1-CD2 3.96Å; I512-F532 HydrophobicContact CD1-CG 3.63Å; I512-F532 HydrophobicContact CG1-CB 3.82Å; I512-F532 HydrophobicContact CG1-CD1 3.68Å; I512-F532 HydrophobicContact CG1-CD2 4.39Å; I512-F532 HydrophobicContact CG1-CE1 4.33Å; I512-F532 HydrophobicContact CG1-CG 3.7Å; I512-F532 HydrophobicContact CG2-CD1 4.02Å; I512-F532 HydrophobicContact CG2-CD2 4.44Å; I512-F532 HydrophobicContact CG2-CE1 3.79Å; I512-F532 HydrophobicContact CG2-CE2 4.25Å; I512-F532 HydrophobicContact CG2-CG 4.33Å; I512-F532 HydrophobicContact CG2-CZ 3.92Å; A528-F532 WeakPolarHBondContact O-CB 3.33Å; A528-F532 PolarHBondContact O-N 2.86Å; D530-F532 VanDerWaalsContact C-N 3.28Å; D530-F532 PolarHBondContact O-N 3.33Å; F532-L534 VanDerWaalsContact C-N 3.34Å; F532-Q536 HydrophobicContact CD1-CG 4.44Å; F532-Q536 HydrophobicContact CE1-CG 4.05Å; F532-Q536 HydrophobicContact CZ-CG 4.35Å; F532-Q536 WeakPolarHBondContact O-CG 3.3Å; F532-Q536 PolarHBondContact O-N 3.26Å
533K92.9Very high91.3Very high73 Ų7362 Ų6232%0.31731%0.309SS..Hα-helixtrans-68.3-36.9171.2-58.7160.8-161.5164.70110.9V529 D530 I531 Q536 T537 R542V529-K533 WeakPolarHBondContact O-CE 3.35Å; V529-K533 WeakPolarHBondContact O-CG 3.36Å; V529-K533 PolarHBondContact O-N 3.18Å; D530-K533 WeakPolarHBondContact O-CB 3.25Å; D530-K533 PolarHBondContact O-N 2.97Å; D530-K533 IonicContact OD1-NZ 2.64Å; D530-K533 PolarHBondContact OD1-NZ 2.93Å; I531-K533 VanDerWaalsContact C-N 3.31Å; I531-K533 PolarHBondContact O-N 3.42Å; K533-Q536 PolarHBondContact O-N 3.33Å; K533-T537 WeakPolarHBondContact O-CB 3.44Å; K533-T537 PolarHBondContact O-N 3.23Å; K533-T537 PolarHBondContact O-OG1 3.4Å; K533-R542 WeakPolarHBondContact O-CD 3.29Å
534L92.8Very high91.2Very high18 Ų1863.9 Ų63.99%0.09432%0.318CS..Hα-helixtrans-64.7-43.4177-16970.7000111.2D530 I531 F532 T537 F538 L551 E554 V555D530-L534 PolarHBondContact O-N 3.47Å; I531-L534 CarbonylContact O-C 3.53Å; I531-L534 WeakPolarHBondContact O-CA 3.29Å; I531-L534 WeakPolarHBondContact O-CB 3.28Å; I531-L534 PolarHBondContact O-N 2.83Å; F532-L534 VanDerWaalsContact C-N 3.34Å; L534-T537 CarbonylContact O-C 3.57Å; L534-T537 WeakPolarHBondContact O-CA 3.49Å; L534-T537 WeakPolarHBondContact O-CB 2.99Å; L534-T537 PolarHBondContact O-N 3.26Å; L534-F538 PolarHBondContact O-N 2.72Å; L534-L551 HydrophobicContact CD1-CD2 3.67Å; L534-E554 HydrophobicContact CD1-CG 4.48Å; L534-E554 HydrophobicContact CD2-CB 3.94Å; L534-E554 HydrophobicContact CD2-CG 3.64Å; L534-V555 HydrophobicContact CB-CG2 4.32Å; L534-V555 HydrophobicContact CD2-CB 4.38Å; L534-V555 HydrophobicContact CD2-CG2 3.61Å; L534-V555 HydrophobicContact CG-CG2 3.63Å
535I92.4Very high91.1Very high26 Ų2671.9 Ų71.913%0.13335%0.349CS..Hα-helixtrans-58.2-51.6171.8-64.4164.7000110.8I531 T537 F538 M539 V555 F559I531-I535 HydrophobicContact CG2-CD1 4Å; I531-I535 HydrophobicContact CG2-CG1 4.37Å; I531-I535 WeakPolarHBondContact O-CG1 3.46Å; I531-I535 PolarHBondContact O-N 3.15Å; I535-T537 PolarHBondContact O-N 3.06Å; I535-T537 VanDerWaalsContact O-N 3.16Å; I535-F538 PolarHBondContact O-N 3.45Å; I535-F538 VanDerWaalsContact O-N 3.15Å; I535-M539 HydrophobicContact CG2-CG 4.27Å; I535-M539 HydrophobicContact CG2-SD 3.68Å; I535-M539 WeakPolarHBondContact O-CB 3.41Å; I535-M539 WeakPolarHBondContact O-CG 3.44Å; I535-M539 PolarHBondContact O-N 2.96Å; I535-V555 HydrophobicContact CG1-CG1 4.3Å; I535-V555 HydrophobicContact CG1-CG2 4.48Å; I535-F559 HydrophobicContact CD1-CE2 3.62Å; I535-F559 HydrophobicContact CD1-CZ 3.63Å; I535-F559 HydrophobicContact CG1-CE2 4.12Å
536Q93.1Very high91Very high3 Ų370.7 Ų70.71%0.01435%0.353CS..Hα-helixtrans-59.3-26.6175.6-76.5-179-30.300112.6S508 S509 E510 F532 K533 G540 D541 R542S508-Q536 PolarHBondContact O-NE2 3.4Å; S509-Q536 PolarHBondContact O-NE2 2.86Å; E510-Q536 PolarHBondContact O-NE2 3.38Å; F532-Q536 HydrophobicContact CD1-CG 4.44Å; F532-Q536 HydrophobicContact CE1-CG 4.05Å; F532-Q536 HydrophobicContact CZ-CG 4.35Å; F532-Q536 WeakPolarHBondContact O-CG 3.3Å; F532-Q536 PolarHBondContact O-N 3.26Å; K533-Q536 PolarHBondContact O-N 3.33Å; Q536-G540 PolarHBondContact O-N 3.19Å; Q536-D541 HydrophobicContact CB-CB 4.07Å; Q536-D541 HydrophobicContact CG-CB 4.33Å; Q536-D541 CarbonylContact O-C 3.54Å; Q536-D541 WeakPolarHBondContact O-CA 3.44Å; Q536-D541 WeakPolarHBondContact O-CB 3.39Å; Q536-D541 PolarHBondContact O-N 3.34Å; Q536-R542 HydrophobicContact CB-CG 3.94Å; Q536-R542 PolarHBondContact O-N 3.2Å; Q536-R542 VanDerWaalsContact OE1-CZ 3.22Å
537T93.3Very high90.9Very high27 Ų2767.3 Ų67.317%0.16634%0.342CS..Hα-helixtrans-78.2-42.2175.9-54.10000111.9K533 L534 I535 G540 L551K533-T537 WeakPolarHBondContact O-CB 3.44Å; K533-T537 PolarHBondContact O-N 3.23Å; K533-T537 PolarHBondContact O-OG1 3.4Å; L534-T537 CarbonylContact O-C 3.57Å; L534-T537 WeakPolarHBondContact O-CA 3.49Å; L534-T537 WeakPolarHBondContact O-CB 2.99Å; L534-T537 PolarHBondContact O-N 3.26Å; I535-T537 PolarHBondContact O-N 3.06Å; I535-T537 VanDerWaalsContact O-N 3.16Å; T537-G540 PolarHBondContact O-N 3.48Å; T537-L551 HydrophobicContact CG2-CD1 3.93Å; T537-L551 HydrophobicContact CG2-CD2 4.11Å
538F92Very high90.6Very high65 Ų6566.6 Ų66.629%0.28535%0.346SS..Hα-helixtrans-63.7-40.3173.2171.3-112000112.3F10 L534 I535 G540 L551 A552 V555F10-F538 HydrophobicContact CE1-CE1 4.05Å; F10-F538 HydrophobicContact CE1-CZ 4.12Å; L534-F538 PolarHBondContact O-N 2.72Å; I535-F538 PolarHBondContact O-N 3.45Å; I535-F538 VanDerWaalsContact O-N 3.15Å; F538-G540 PolarHBondContact O-N 3.42Å; F538-L551 HydrophobicContact CB-CB 4.33Å; F538-L551 HydrophobicContact CD2-CB 4.38Å; F538-A552 HydrophobicContact CD2-CB 4Å; F538-A552 HydrophobicContact CE2-CB 3.59Å; F538-A552 HydrophobicContact CZ-CB 4.16Å; F538-V555 HydrophobicContact CB-CG2 4.47Å
539M91.3Very high90.5Very high94 Ų9472 Ų7246%0.46337%0.37SS..THydrogen-bonded Turntrans-72.4-11.5176.9-69.8179.760.400114I535 D541I535-M539 HydrophobicContact CG2-CG 4.27Å; I535-M539 HydrophobicContact CG2-SD 3.68Å; I535-M539 WeakPolarHBondContact O-CB 3.41Å; I535-M539 WeakPolarHBondContact O-CG 3.44Å; I535-M539 PolarHBondContact O-N 2.96Å; M539-D541 VanDerWaalsContact C-N 3.35Å
540G91.1Very high90.4Very high57 Ų5774 Ų7459%0.58839%0.386SS*.THydrogen-bonded Turntrans85.9-3.9-177.900000115.5Q536 T537 F538 R542Q536-G540 PolarHBondContact O-N 3.19Å; T537-G540 PolarHBondContact O-N 3.48Å; F538-G540 PolarHBondContact O-N 3.42Å; G540-R542 PolarHBondContact O-N 2.96Å
541D90.3Very high90.2Very high58 Ų5871.8 Ų71.831%0.3137%0.374SS..SBendtrans-60.5-21.5172.3-63-31.7000112.4W507 Q536 M539W507-D541 WeakPolarHBondContact CZ2-OD1 3.47Å; W507-D541 PolarHBondContact NE1-OD2 2.93Å; Q536-D541 HydrophobicContact CB-CB 4.07Å; Q536-D541 HydrophobicContact CG-CB 4.33Å; Q536-D541 CarbonylContact O-C 3.54Å; Q536-D541 WeakPolarHBondContact O-CA 3.44Å; Q536-D541 WeakPolarHBondContact O-CB 3.39Å; Q536-D541 PolarHBondContact O-N 3.34Å; M539-D541 VanDerWaalsContact C-N 3.35Å
542R89.3Confident90.1Very high74 Ų7472.4 Ų72.428%0.27938%0.38SS..SBendtrans-120.3134.3171-68.4171.1-179.1-66.9-30.3111.2K533 Q536 G540 S544K533-R542 WeakPolarHBondContact O-CD 3.29Å; Q536-R542 HydrophobicContact CB-CG 3.94Å; Q536-R542 PolarHBondContact O-N 3.2Å; Q536-R542 VanDerWaalsContact OE1-CZ 3.22Å; G540-R542 PolarHBondContact O-N 2.96Å; R542-S544 PolarHBondContact O-N 3.22Å
543R87.8Confident89.9Confident256 Ų25675.3 Ų75.397%0.96640%0.397SS*.  trans-69.9127171.1-56.1-174.674.2-163.74.7110.2
544S87.3Confident89.8Confident70 Ų7075.8 Ų75.849%0.4940%0.4SS..  trans-135.4169.1169.8-178.70000110.7R542 A546R542-S544 PolarHBondContact O-N 3.22Å; S544-A546 PolarHBondContact OG-N 2.94Å; S544-A546 VanDerWaalsContact OG-N 3.11Å
545K87Confident89.6Confident215 Ų21575 Ų7594%0.93540%0.396SS*.SBendtrans-106.5-0.7170.5-60.9-175.3179.6-176.30112.5
546A87.1Confident89.4Confident51 Ų5176.2 Ų76.242%0.42141%0.407SS..SBendtrans-75.6151177.300000111.2S544 L551S544-A546 PolarHBondContact OG-N 2.94Å; S544-A546 VanDerWaalsContact OG-N 3.11Å; A546-L551 HydrophobicContact CB-CD1 4.11Å; A546-L551 HydrophobicContact CB-CD2 3.99Å; A546-L551 HydrophobicContact CB-CG 3.93Å
547D89.1Confident89.2Confident72 Ų7280.9 Ų80.939%0.38543%0.431SS..  trans-67.5134.4174.7151.458.2000111.2L549 S550 L551D547-L549 VanDerWaalsContact C-N 3.29Å; D547-L549 PolarHBondContact O-N 3.29Å; D547-L549 PolarHBondContact OD1-N 2.79Å; D547-L549 VanDerWaalsContact OD1-N 3.15Å; D547-L549 WeakPolarHBondContact OD2-CB 3.34Å; D547-L549 PolarHBondContact OD2-N 3.34Å; D547-S550 WeakPolarHBondContact O-CB 3.39Å; D547-S550 PolarHBondContact O-N 2.97Å; D547-S550 WeakPolarHBondContact OD2-CB 3.24Å; D547-S550 PolarHBondContact OD2-N 3.07Å; D547-S550 PolarHBondContact OD2-OG 3.26Å; D547-L551 WeakPolarHBondContact O-CG 3.49Å; D547-L551 PolarHBondContact O-N 2.64Å
548P85.4Confident88.7Confident81 Ų8182.5 Ų82.553%0.52644%0.436SS..Hα-helixtrans-57.3-32.5178.1-27.736.2000115.5A552P548-A552 WeakPolarHBondContact O-CB 3.15Å; P548-A552 PolarHBondContact O-N 3.5Å
549L87.6Confident88.2Confident135 Ų13581.8 Ų81.871%0.70743%0.433SS*.Hα-helixtrans-72.1-41.3178.7-63.5174.8000111.2D547 L551 A552 L553D547-L549 VanDerWaalsContact C-N 3.29Å; D547-L549 PolarHBondContact O-N 3.29Å; D547-L549 PolarHBondContact OD1-N 2.79Å; D547-L549 VanDerWaalsContact OD1-N 3.15Å; D547-L549 WeakPolarHBondContact OD2-CB 3.34Å; D547-L549 PolarHBondContact OD2-N 3.34Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L549-A552 PolarHBondContact O-N 2.69Å; L549-L553 WeakPolarHBondContact O-CB 3.46Å; L549-L553 PolarHBondContact O-N 3.06Å
550S89.8Confident87.5Confident66 Ų6680 Ų8046%0.46243%0.433SS..Hα-helixtrans-60.1-43.2172.8-57.80000111.4D547 L553 E554D547-S550 WeakPolarHBondContact O-CB 3.39Å; D547-S550 PolarHBondContact O-N 2.97Å; D547-S550 WeakPolarHBondContact OD2-CB 3.24Å; D547-S550 PolarHBondContact OD2-N 3.07Å; D547-S550 PolarHBondContact OD2-OG 3.26Å; S550-L553 PolarHBondContact O-N 3.41Å; S550-E554 WeakPolarHBondContact O-CB 3.12Å; S550-E554 PolarHBondContact O-N 2.9Å
551L89.9Confident86.7Confident12 Ų1281 Ų816%0.06343%0.432CS..Hα-helixtrans-63.4-43.9174.2-70.6168.5000112.2L534 T537 F538 A546 D547 L549 L553 E554 V555L534-L551 HydrophobicContact CD1-CD2 3.67Å; T537-L551 HydrophobicContact CG2-CD1 3.93Å; T537-L551 HydrophobicContact CG2-CD2 4.11Å; F538-L551 HydrophobicContact CB-CB 4.33Å; F538-L551 HydrophobicContact CD2-CB 4.38Å; A546-L551 HydrophobicContact CB-CD1 4.11Å; A546-L551 HydrophobicContact CB-CD2 3.99Å; A546-L551 HydrophobicContact CB-CG 3.93Å; D547-L551 WeakPolarHBondContact O-CG 3.49Å; D547-L551 PolarHBondContact O-N 2.64Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L551-L553 VanDerWaalsContact C-N 3.33Å; L551-L553 PolarHBondContact O-N 3.07Å; L551-E554 PolarHBondContact O-N 2.83Å; L551-V555 WeakPolarHBondContact O-CG2 3.4Å; L551-V555 PolarHBondContact O-N 3.42Å
552A89.2Confident85.6Confident19 Ų1979.9 Ų79.916%0.15743%0.425CS..Hα-helixtrans-60.4-43.3176.900000112F538 P548 L549 V555 C556F538-A552 HydrophobicContact CD2-CB 4Å; F538-A552 HydrophobicContact CE2-CB 3.59Å; F538-A552 HydrophobicContact CZ-CB 4.16Å; P548-A552 WeakPolarHBondContact O-CB 3.15Å; P548-A552 PolarHBondContact O-N 3.5Å; L549-A552 PolarHBondContact O-N 2.69Å; A552-V555 PolarHBondContact O-N 3.42Å; A552-C556 PolarHBondContact O-N 3.07Å; A552-C556 PolarHBondContact O-SG 3.38Å; A552-C556 VanDerWaalsContact O-SG 3.37Å
553L89.9Confident84.4Confident109 Ų10979.2 Ų79.257%0.57143%0.427SS*.Hα-helixtrans-64.5-43.7177.3-177.262.2000111.6L549 S550 L551 C556 I557L549-L553 WeakPolarHBondContact O-CB 3.46Å; L549-L553 PolarHBondContact O-N 3.06Å; S550-L553 PolarHBondContact O-N 3.41Å; L551-L553 VanDerWaalsContact C-N 3.33Å; L551-L553 PolarHBondContact O-N 3.07Å; L553-C556 PolarHBondContact O-N 3.5Å; L553-I557 HydrophobicContact CD1-CD1 4Å; L553-I557 HydrophobicContact CD1-CG1 4.34Å; L553-I557 HydrophobicContact CG-CD1 3.84Å; L553-I557 VanDerWaalsContact O-CG1 3.31Å; L553-I557 WeakPolarHBondContact O-CG1 3.5Å; L553-I557 PolarHBondContact O-N 3.32Å
554E89.6Confident82.7Confident84 Ų8471.6 Ų71.639%0.39341%0.412SS..Hα-helixtrans-62.3-43176.8-168-172.5164.700111.8L534 S550 L551 C556 I557 Q558L534-E554 HydrophobicContact CD1-CG 4.48Å; L534-E554 HydrophobicContact CD2-CB 3.94Å; L534-E554 HydrophobicContact CD2-CG 3.64Å; S550-E554 WeakPolarHBondContact O-CB 3.12Å; S550-E554 PolarHBondContact O-N 2.9Å; L551-E554 PolarHBondContact O-N 2.83Å; E554-C556 PolarHBondContact O-N 2.74Å; E554-I557 PolarHBondContact O-N 3.02Å; E554-Q558 WeakPolarHBondContact O-CB 3.4Å; E554-Q558 WeakPolarHBondContact O-CG 3.31Å; E554-Q558 PolarHBondContact O-N 2.73Å; E554-Q558 PolarHBondContact OE1-NE2 2.94Å
555V89.3Confident80.9Confident0 Ų072.8 Ų72.80%042%0.418CS..Hα-helixtrans-57.5-48.9173.4169.40000110.8F10 L534 I535 F538 L551 A552 F559F10-V555 HydrophobicContact CZ-CG1 4.3Å; L534-V555 HydrophobicContact CB-CG2 4.32Å; L534-V555 HydrophobicContact CD2-CB 4.38Å; L534-V555 HydrophobicContact CD2-CG2 3.61Å; L534-V555 HydrophobicContact CG-CG2 3.63Å; I535-V555 HydrophobicContact CG1-CG1 4.3Å; I535-V555 HydrophobicContact CG1-CG2 4.48Å; F538-V555 HydrophobicContact CB-CG2 4.47Å; L551-V555 WeakPolarHBondContact O-CG2 3.4Å; L551-V555 PolarHBondContact O-N 3.42Å; A552-V555 PolarHBondContact O-N 3.42Å; V555-F559 HydrophobicContact CG1-CD2 3.68Å; V555-F559 HydrophobicContact CG1-CE2 3.87Å; V555-F559 WeakPolarHBondContact O-CB 3.22Å; V555-F559 WeakPolarHBondContact O-CD2 3.33Å; V555-F559 PolarHBondContact O-N 2.98Å
556C87.8Confident79.1Confident53 Ų5368 Ų6836%0.35840%0.401SS..Hα-helixtrans-62.6-43.2179.4-740000112.7F10 A552 L553 E554 A560F10-C556 VanDerWaalsContact CZ-SG 3.54Å; A552-C556 PolarHBondContact O-N 3.07Å; A552-C556 PolarHBondContact O-SG 3.38Å; A552-C556 VanDerWaalsContact O-SG 3.37Å; L553-C556 PolarHBondContact O-N 3.5Å; E554-C556 PolarHBondContact O-N 2.74Å; C556-A560 WeakPolarHBondContact O-CB 3.12Å; C556-A560 PolarHBondContact O-N 2.95Å
557I88.3Confident76.6Confident101 Ų10170.8 Ų70.852%0.51842%0.418SS..Hα-helixtrans-65.9-46.8179.3-69.6168.9000110.9L553 E554 F559 A560 S561L553-I557 HydrophobicContact CD1-CD1 4Å; L553-I557 HydrophobicContact CD1-CG1 4.34Å; L553-I557 HydrophobicContact CG-CD1 3.84Å; L553-I557 VanDerWaalsContact O-CG1 3.31Å; L553-I557 WeakPolarHBondContact O-CG1 3.5Å; L553-I557 PolarHBondContact O-N 3.32Å; E554-I557 PolarHBondContact O-N 3.02Å; I557-F559 PolarHBondContact O-N 3.34Å; I557-A560 PolarHBondContact O-N 3.34Å; I557-S561 WeakPolarHBondContact O-CB 3.27Å; I557-S561 PolarHBondContact O-N 2.92Å
558Q84.3Confident74.3Confident60 Ų6070.4 Ų70.428%0.2843%0.431SS..Hα-helixtrans-66.5-37.7180-70178.713.500111.7I531 E554 S561 L562I531-Q558 HydrophobicContact CD1-CB 3.88Å; I531-Q558 HydrophobicContact CG1-CB 3.82Å; E554-Q558 WeakPolarHBondContact O-CB 3.4Å; E554-Q558 WeakPolarHBondContact O-CG 3.31Å; E554-Q558 PolarHBondContact O-N 2.73Å; E554-Q558 PolarHBondContact OE1-NE2 2.94Å; Q558-S561 PolarHBondContact O-N 2.85Å; Q558-L562 PolarHBondContact O-N 3.39Å
559F81.2Confident71.8Confident50 Ų5076.6 Ų76.622%0.21947%0.467CS..Hα-helixtrans-66.7-42172.7-89.9-60000113.3F6 I531 I535 V555 I557 S561 L562 L563F6-F559 HydrophobicContact CE1-CB 3.78Å; F6-F559 HydrophobicContact CE1-CD1 4.21Å; F6-F559 AromaticContact CE1-CD2 3.72Å; F6-F559 HydrophobicContact CE1-CD2 3.72Å; F6-F559 HydrophobicContact CE1-CE2 4.27Å; F6-F559 AromaticContact CE1-CG 3.67Å; F6-F559 HydrophobicContact CE1-CG 3.67Å; F6-F559 HydrophobicContact CZ-CB 3.8Å; F6-F559 AromaticContact CZ-CD1 3.65Å; F6-F559 HydrophobicContact CZ-CD1 3.65Å; F6-F559 HydrophobicContact CZ-CD2 4.03Å; F6-F559 HydrophobicContact CZ-CE1 4.14Å; F6-F559 HydrophobicContact CZ-CE2 4.47Å; F6-F559 AromaticContact CZ-CG 3.58Å; F6-F559 HydrophobicContact CZ-CG 3.58Å; I531-F559 HydrophobicContact CG2-CD2 4.33Å; I531-F559 HydrophobicContact CG2-CE1 4.23Å; I531-F559 HydrophobicContact CG2-CE2 3.88Å; I531-F559 HydrophobicContact CG2-CZ 3.83Å; I535-F559 HydrophobicContact CD1-CE2 3.62Å; I535-F559 HydrophobicContact CD1-CZ 3.63Å; I535-F559 HydrophobicContact CG1-CE2 4.12Å; V555-F559 HydrophobicContact CG1-CD2 3.68Å; V555-F559 HydrophobicContact CG1-CE2 3.87Å; V555-F559 WeakPolarHBondContact O-CB 3.22Å; V555-F559 WeakPolarHBondContact O-CD2 3.33Å; V555-F559 PolarHBondContact O-N 2.98Å; I557-F559 PolarHBondContact O-N 3.34Å; F559-S561 VanDerWaalsContact C-N 3.29Å; F559-S561 PolarHBondContact O-N 3.47Å; F559-L562 PolarHBondContact O-N 3.23Å; F559-L563 WeakPolarHBondContact O-CG 3.23Å; F559-L563 PolarHBondContact O-N 3.38Å
560A76.9Confident71Confident57 Ų5773.7 Ų73.747%0.47146%0.455SS..Hα-helixtrans-59.5-43.117400000110.9C556 I557 L562 L563 C564C556-A560 WeakPolarHBondContact O-CB 3.12Å; C556-A560 PolarHBondContact O-N 2.95Å; I557-A560 PolarHBondContact O-N 3.34Å; A560-L562 VanDerWaalsContact C-N 3.28Å; A560-L562 PolarHBondContact O-N 3Å; A560-L563 PolarHBondContact O-N 2.92Å; A560-C564 VanDerWaalsContact O-CB 3.29Å; A560-C564 WeakPolarHBondContact O-CB 3.4Å; A560-C564 PolarHBondContact O-N 3.19Å
561S74.2Confident70Confident79 Ų7974.1 Ų74.155%0.55245%0.454SS*.Hα-helixtrans-66.1-23177-164.60000114.4I557 Q558 F559 P565I557-S561 WeakPolarHBondContact O-CB 3.27Å; I557-S561 PolarHBondContact O-N 2.92Å; Q558-S561 PolarHBondContact O-N 2.85Å; F559-S561 VanDerWaalsContact C-N 3.29Å; F559-S561 PolarHBondContact O-N 3.47Å; S561-P565 WeakPolarHBondContact O-CD 3.46Å; S561-P565 VanDerWaalsContact O-CG 3.29Å; S561-P565 WeakPolarHBondContact O-CG 3.34Å
562L67.7Low68.9Low33 Ų3377.6 Ų77.617%0.17348%0.476CS..Hα-helixtrans-87.8-21.8172.8-78.6-167.3000114.1V524 E527 I531 Q558 F559 A560V524-L562 HydrophobicContact CB-CD2 4.49Å; V524-L562 HydrophobicContact CG1-CD2 4.37Å; V524-L562 HydrophobicContact CG2-CD2 3.85Å; E527-L562 HydrophobicContact CB-CD2 4.49Å; E527-L562 WeakPolarHBondContact OE2-CD2 3.34Å; I531-L562 HydrophobicContact CD1-CD1 3.34Å; I531-L562 HydrophobicContact CD1-CG 3.99Å; Q558-L562 PolarHBondContact O-N 3.39Å; F559-L562 PolarHBondContact O-N 3.23Å; A560-L562 VanDerWaalsContact C-N 3.28Å; A560-L562 PolarHBondContact O-N 3Å
563L63.7Low67.7Low60 Ų6081 Ų8131%0.31450%0.495SS..Hα-helixtrans-93.8-33.4-179.9-67.5171.2000112.5Y2 F6 F559 A560 P565 I566Y2-L563 HydrophobicContact CD1-CD2 4.45Å; Y2-L563 HydrophobicContact CG-CD2 4.47Å; F6-L563 HydrophobicContact CE2-CD1 3.94Å; F6-L563 HydrophobicContact CZ-CD1 4.05Å; F559-L563 WeakPolarHBondContact O-CG 3.23Å; F559-L563 PolarHBondContact O-N 3.38Å; A560-L563 PolarHBondContact O-N 2.92Å; L563-P565 VanDerWaalsContact C-CD 3.47Å; L563-I566 HydrophobicContact CD2-CD1 4.34Å; L563-I566 WeakPolarHBondContact O-CB 3.28Å; L563-I566 PolarHBondContact O-N 3.44Å
564C51.8Low66.3Low96 Ų9679.3 Ų79.365%0.64949%0.49SS*.G310 helixtrans-59.5-37.9179.5-1600000114.7A560 I566 S567A560-C564 VanDerWaalsContact O-CB 3.29Å; A560-C564 WeakPolarHBondContact O-CB 3.4Å; A560-C564 PolarHBondContact O-N 3.19Å; C564-I566 PolarHBondContact O-N 3.11Å; C564-S567 PolarHBondContact O-N 3.39Å
565P49.7Very low64.7Low95 Ų9578.9 Ų78.962%0.61750%0.497SS*.G310 helixtrans-63.9-10.2177-2334.7000115.1S561 L563S561-P565 WeakPolarHBondContact O-CD 3.46Å; S561-P565 VanDerWaalsContact O-CG 3.29Å; S561-P565 WeakPolarHBondContact O-CG 3.34Å; L563-P565 VanDerWaalsContact C-CD 3.47Å
566I48.1Very low63Low114 Ų11484.6 Ų84.659%0.58553%0.532SS*.G310 helixtrans-85.7-15.7-176.5-51.3179.5000111.3L563 C564 G568L563-I566 HydrophobicContact CD2-CD1 4.34Å; L563-I566 WeakPolarHBondContact O-CB 3.28Å; L563-I566 PolarHBondContact O-N 3.44Å; C564-I566 PolarHBondContact O-N 3.11Å; I566-G568 PolarHBondContact O-N 3.04Å
567S35.4Very low61.1Low111 Ų11187 Ų8778%0.77655%0.546SS*.SBendtrans-83.323.1177.1-56.50000114C564C564-S567 PolarHBondContact O-N 3.39Å
568G39.7Very low58.8Low64 Ų6485.8 Ų85.866%0.6655%0.548SS*.  trans-114.222.6-172.100000115.4I566I566-G568 PolarHBondContact O-N 3.04Å
569V33.1Very low56.5Low211 Ų21188.2 Ų88.2100%1.27957%0.572SS**  trans-141.90177-173.40000109.7

Retrieved 569 of 569 residues in 333.6 ms (Link to these results)