A0A077Z598_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z598, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 468 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
1M47.7Very low41.6Very low230 Ų230153.3 Ų153.3100%1.13384%0.841SS**  0970-65.3-176.6-161.400106.8M3M1-M3 PolarHBondContact O-N 3.02Å
2N41.1Very low41.4Very low163 Ų163149.4 Ų149.487%0.87283%0.833SS**  trans-82.4107-178.3-79.312.4000108.5M4N2-M4 PolarHBondContact O-N 3.38Å; N2-M4 VanDerWaalsContact O-N 3.09Å
3M48Very low41.3Very low180 Ų180145.7 Ų145.789%0.88782%0.823SS**  trans-66104.9172.7-56.8-166.1-151.900107.7M1 P5M1-M3 PolarHBondContact O-N 3.02Å; M3-P5 WeakPolarHBondContact O-CD 3.43Å
4M41Very low41.5Very low176 Ų176143.6 Ų143.687%0.86782%0.818SS**PPolyproline II helixtrans-64.1125.2169.7-67.2177.995.800107.4N2 S6N2-M4 PolarHBondContact O-N 3.38Å; N2-M4 VanDerWaalsContact O-N 3.09Å; M4-S6 PolarHBondContact O-N 3.49Å; M4-S6 VanDerWaalsContact O-N 3.13Å
5P48.4Very low41.5Very low124 Ų124146.1 Ų146.181%0.80582%0.82SS**PPolyproline II helixtrans-62.7118.9172.923.4-29.4000108.2M3 N7M3-P5 WeakPolarHBondContact O-CD 3.43Å; P5-N7 PolarHBondContact O-N 2.78Å
6S47.2Very low41.2Very low114 Ų114140 Ų14080%0.79780%0.801SS**PPolyproline II helixtrans-55.5120.6171.723.10000108.9M4 P8M4-S6 PolarHBondContact O-N 3.49Å; M4-S6 VanDerWaalsContact O-N 3.13Å; S6-P8 WeakPolarHBondContact O-CD 3.13Å; S6-P8 VanDerWaalsContact O-N 3.16Å
7N35.2Very low41.3Very low152 Ų152140.2 Ų140.281%0.81380%0.799SS**PPolyproline II helixtrans-53.8116.9179.6-154.29.5000108.8P5 G9P5-N7 PolarHBondContact O-N 2.78Å; N7-G9 PolarHBondContact O-N 3.44Å; N7-G9 VanDerWaalsContact O-N 3.11Å
8P41.5Very low41.4Very low113 Ų113146.1 Ų146.173%0.73481%0.806SS**PPolyproline II helixtrans-59.6121.9179.922-30.2000108S6 R10S6-P8 WeakPolarHBondContact O-CD 3.13Å; S6-P8 VanDerWaalsContact O-N 3.16Å; P8-R10 PolarHBondContact O-N 3.14Å
9G34.4Very low41.3Very low62 Ų62145.3 Ų145.364%0.63980%0.8SS**PPolyproline II helixtrans-47128.3-177.300000110N7 V11N7-G9 PolarHBondContact O-N 3.44Å; N7-G9 VanDerWaalsContact O-N 3.11Å; G9-V11 PolarHBondContact O-N 3.19Å
10R33.8Very low41.4Very low241 Ų241143.3 Ų143.391%0.90979%0.794SS**  trans-54.796.9164.7-82.5-177.7171.5-131.70.5106.9P8 S12P8-R10 PolarHBondContact O-N 3.14Å; R10-S12 PolarHBondContact O-N 3.39Å
11V39Very low41.8Very low131 Ų131142 Ų14279%0.79479%0.79SS**  trans-67.4106.4165-165.70000103.8G9 S13G9-V11 PolarHBondContact O-N 3.19Å; V11-S13 PolarHBondContact O-N 3.13Å
12S39.6Very low41.8Very low107 Ų107136.6 Ų136.675%0.74877%0.769SS**  trans-61.286.9170-47.50000106.9R10 P14R10-S12 PolarHBondContact O-N 3.39Å; S12-P14 WeakPolarHBondContact O-CD 3.48Å
13S40Very low41.9Very low101 Ų101138.7 Ų138.771%0.70677%0.765SS**  trans-61.3120166.9300000106V11 Q15V11-S13 PolarHBondContact O-N 3.13Å; S13-Q15 PolarHBondContact O-N 2.91Å
14P44Very low41.7Very low116 Ų116135.4 Ų135.475%0.75376%0.755SS**  trans-55.7131.7174.422.1-29.6000106.7S12 G16S12-P14 WeakPolarHBondContact O-CD 3.48Å; P14-G16 PolarHBondContact O-N 2.95Å
15Q41.5Very low42.1Very low181 Ų181132.7 Ų132.785%0.84675%0.751SS**  trans-46.6103.8178-157.3170.45.800106.8S13 N17S13-Q15 PolarHBondContact O-N 2.91Å; Q15-N17 PolarHBondContact O-N 3.24Å
16G37.3Very low41.9Very low49 Ų49134.2 Ų134.251%0.50575%0.747SS.*  trans-57113.9-178.300000105.9P14 W18P14-G16 PolarHBondContact O-N 2.95Å; G16-W18 PolarHBondContact O-N 3.15Å
17N42.3Very low42.1Very low144 Ų144134.3 Ų134.377%0.7775%0.748SS**  trans-61.791.4170.5-83.2-6.6000106.1Q15 L19Q15-N17 PolarHBondContact O-N 3.24Å; N17-L19 HydrophobicContact CB-CG 4.35Å; N17-L19 PolarHBondContact O-N 3.16Å
18W42.6Very low42.6Very low245 Ų245134.2 Ų134.293%0.92874%0.742SS**  trans-68.464.2159.8-63.998.8000106.8G16 P20G16-W18 PolarHBondContact O-N 3.15Å; W18-P20 WeakPolarHBondContact O-CD 3.22Å
19L41.1Very low42.9Very low131 Ų131133.6 Ų133.669%0.68674%0.74SS**  trans-62.4123158.8-73.5170.3000104.3N17 V21N17-L19 HydrophobicContact CB-CG 4.35Å; N17-L19 PolarHBondContact O-N 3.16Å; L19-V21 PolarHBondContact O-N 3.25Å
20P43.3Very low43.5Very low105 Ų105139.4 Ų139.468%0.68275%0.748SS**  trans-52.9118173.120.1-28.6000105.7W18 V22W18-P20 WeakPolarHBondContact O-CD 3.22Å; P20-V22 PolarHBondContact O-N 3.47Å
21V48Very low44.1Very low118 Ų118136 Ų13672%0.71574%0.743SS**  trans-65.591.7168.4-175.20000103.6L19 R23L19-V21 PolarHBondContact O-N 3.25Å; V21-R23 HydrophobicContact CB-CG 4.42Å; V21-R23 HydrophobicContact CG1-CG 3.5Å; V21-R23 PolarHBondContact O-N 2.98Å
22V48.3Very low44.7Very low115 Ų115133.6 Ų133.670%0.69773%0.73SS**  trans-67.480.3164.1-177.50000103.9P20 T24P20-V22 PolarHBondContact O-N 3.47Å; V22-T24 PolarHBondContact O-N 3.15Å
23R44.3Very low45.1Very low208 Ų208136.4 Ų136.479%0.78574%0.737SS**  trans-65.195.9161.1-67.5-168176.3-157-2103.1V21 P25V21-R23 HydrophobicContact CB-CG 4.42Å; V21-R23 HydrophobicContact CG1-CG 3.5Å; V21-R23 PolarHBondContact O-N 2.98Å; R23-P25 VanDerWaalsContact O-CD 3.27Å; R23-P25 WeakPolarHBondContact O-CD 3.32Å
24T43.8Very low45.8Very low110 Ų110135 Ų13568%0.67572%0.723SS**  trans-48.7116159.139.50000105.1V22 E26V22-T24 PolarHBondContact O-N 3.15Å; T24-E26 PolarHBondContact O-N 3.43Å
25P48.8Very low46.1Very low119 Ų119133.5 Ų133.577%0.77371%0.714SS**  trans-58.2110.5178.522.1-29.8000105.3R23 S27R23-P25 VanDerWaalsContact O-CD 3.27Å; R23-P25 WeakPolarHBondContact O-CD 3.32Å; P25-S27 PolarHBondContact O-N 2.91Å; P25-S27 VanDerWaalsContact O-N 3.14Å
26E43.9Very low46.7Very low156 Ų156132.8 Ų132.873%0.72971%0.711SS**  trans-52.5128.7168-84.2-168.8157.700105.6T24 H28T24-E26 PolarHBondContact O-N 3.43Å; E26-H28 PolarHBondContact O-N 3.1Å; E26-H28 IonicContact OE2-CE1 2.78Å; E26-H28 PolarHBondContact OE2-CE1 2.88Å; E26-H28 IonicContact OE2-ND1 3.85Å
27S50.6Low47.6Very low116 Ų116137.5 Ų137.581%0.81172%0.72SS**  trans-63.78217156.50000106.9P25 S29P25-S27 PolarHBondContact O-N 2.91Å; P25-S27 VanDerWaalsContact O-N 3.14Å; S27-S29 PolarHBondContact O-N 3.16Å
28H46.1Very low47.9Very low151 Ų151137.3 Ų137.370%0.69971%0.712SS**  trans-65.695.5161.9-70.40.8000103.8E26 F30E26-H28 PolarHBondContact O-N 3.1Å; E26-H28 IonicContact OE2-CE1 2.78Å; E26-H28 PolarHBondContact OE2-CE1 2.88Å; E26-H28 IonicContact OE2-ND1 3.85Å; H28-F30 PolarHBondContact O-N 2.86Å
29S48.4Very low48.2Very low100 Ų100130.4 Ų130.470%0.69969%0.694SS**  trans-53.397.715942.10000104.7S27 Q31S27-S29 PolarHBondContact O-N 3.16Å; S29-Q31 PolarHBondContact O-N 3.14Å
30F46.8Very low48.5Very low183 Ų183130.9 Ų130.980%0.80369%0.692SS**  trans-63.193.3172.1-167.6-92.2000104.2H28 P32H28-F30 PolarHBondContact O-N 2.86Å; F30-P32 HydrophobicContact CD1-CB 4.46Å; F30-P32 HydrophobicContact CE1-CB 4.34Å; F30-P32 WeakPolarHBondContact O-CD 3.21Å
31Q46.9Very low48.9Very low169 Ų169131.4 Ų131.479%0.7969%0.689SS**  trans-75.1102.4164.5-75.2-165.7-27.600103.9S29 N33S29-Q31 PolarHBondContact O-N 3.14Å; Q31-N33 PolarHBondContact O-N 3.25Å
32P50.4Low48.9Very low82 Ų82134.5 Ų134.553%0.53269%0.693SS.*  trans-54.1125.2169.124.4-32.3000105.5F30 V34F30-P32 HydrophobicContact CD1-CB 4.46Å; F30-P32 HydrophobicContact CE1-CB 4.34Å; F30-P32 WeakPolarHBondContact O-CD 3.21Å; P32-V34 HydrophobicContact CB-CG2 4.19Å; P32-V34 HydrophobicContact CG-CG2 4.04Å; P32-V34 PolarHBondContact O-N 3.37Å
33N48.9Very low48.8Very low165 Ų165136.1 Ų136.188%0.88270%0.697SS**  trans-69.476.7174.9-142.4-13.5000105.7Q31 P35Q31-N33 PolarHBondContact O-N 3.25Å; N33-P35 WeakPolarHBondContact O-CD 3.48Å
34V54.8Low48.7Very low71 Ų71132.7 Ų132.743%0.4369%0.693SS.*  trans-67.1115.9-179.1-179.70000105.1P32 Q36 F38P32-V34 HydrophobicContact CB-CG2 4.19Å; P32-V34 HydrophobicContact CG-CG2 4.04Å; P32-V34 PolarHBondContact O-N 3.37Å; V34-Q36 PolarHBondContact O-N 3Å; V34-F38 HydrophobicContact CG1-CB 3.6Å; V34-F38 HydrophobicContact CG1-CD1 4.39Å; V34-F38 HydrophobicContact CG1-CG 4.21Å
35P49.9Very low48.4Very low86 Ų86131.1 Ų131.156%0.55870%0.699SS**  trans-53.1132.8177.4-23.333.6000108.7N33 E37 F38N33-P35 WeakPolarHBondContact O-CD 3.48Å; P35-E37 PolarHBondContact O-N 3.28Å; P35-F38 PolarHBondContact O-N 3.17Å
36Q55.1Low47.9Very low165 Ų165130.2 Ų130.277%0.77170%0.701SS**Hα-helixtrans-52.4-22.6-179.4-84.2-178.3-28.200113V34 F38 N39 Q40V34-Q36 PolarHBondContact O-N 3Å; Q36-F38 PolarHBondContact O-N 2.92Å; Q36-N39 PolarHBondContact O-N 2.94Å; Q36-N39 VanDerWaalsContact O-N 3.08Å; Q36-Q40 PolarHBondContact O-N 3.17Å
37E55.8Low47.5Very low149 Ų149126.5 Ų126.570%0.69670%0.697SS**Hα-helixtrans-55.4-34.8172.5-64.4175.3-179.900112.9P35 N39 Q40 L41P35-E37 PolarHBondContact O-N 3.28Å; E37-N39 VanDerWaalsContact C-N 3.28Å; E37-N39 PolarHBondContact O-N 3.33Å; E37-Q40 WeakPolarHBondContact O-CB 3.49Å; E37-Q40 PolarHBondContact O-N 3.33Å; E37-Q40 VanDerWaalsContact O-N 3.12Å; E37-L41 PolarHBondContact O-N 3.46Å
38F48.9Very low46.8Very low139 Ų139125.6 Ų125.661%0.6169%0.691SS**Hα-helixtrans-69.4-27.9178.7-151.8-95.2000112.4V34 P35 Q36 Q40 L41V34-F38 HydrophobicContact CG1-CB 3.6Å; V34-F38 HydrophobicContact CG1-CD1 4.39Å; V34-F38 HydrophobicContact CG1-CG 4.21Å; P35-F38 PolarHBondContact O-N 3.17Å; Q36-F38 PolarHBondContact O-N 2.92Å; F38-Q40 VanDerWaalsContact C-N 3.33Å; F38-L41 PolarHBondContact O-N 3.02Å
39N48.2Very low46.3Very low101 Ų101125.8 Ų125.854%0.5470%0.697SS.*Hα-helixtrans-74.3-24.5173.6-73.6-35.6000112.4Q36 E37 L41 K42Q36-N39 PolarHBondContact O-N 2.94Å; Q36-N39 VanDerWaalsContact O-N 3.08Å; E37-N39 VanDerWaalsContact C-N 3.28Å; E37-N39 PolarHBondContact O-N 3.33Å; N39-L41 VanDerWaalsContact C-N 3.34Å; N39-K42 PolarHBondContact O-N 3.47Å
40Q48.3Very low45.9Very low140 Ų140128.7 Ų128.765%0.65470%0.704SS**Hα-helixtrans-70.5-33.2174.5-60.9-172.722.900111.8Q36 E37 F38 K42 L43Q36-Q40 PolarHBondContact O-N 3.17Å; E37-Q40 WeakPolarHBondContact O-CB 3.49Å; E37-Q40 PolarHBondContact O-N 3.33Å; E37-Q40 VanDerWaalsContact O-N 3.12Å; F38-Q40 VanDerWaalsContact C-N 3.33Å; Q40-K42 VanDerWaalsContact C-N 3.26Å; Q40-K42 PolarHBondContact O-N 3.42Å; Q40-L43 PolarHBondContact O-N 3.43Å
41L50.3Low45.4Very low117 Ų117127 Ų12761%0.61370%0.703SS**Hα-helixtrans-67.2-26.3177.9-72.5171.2000113.1E37 F38 N39 L43 L44E37-L41 PolarHBondContact O-N 3.46Å; F38-L41 PolarHBondContact O-N 3.02Å; N39-L41 VanDerWaalsContact C-N 3.34Å; L41-L43 PolarHBondContact O-N 3.12Å; L41-L44 PolarHBondContact O-N 3.37Å
42K48.5Very low44.6Very low183 Ų183128.4 Ų128.480%0.79671%0.707SS**G310 helixtrans-69.2-19.9175.9-119.4176.6-176.5178.40113.2N39 Q40N39-K42 PolarHBondContact O-N 3.47Å; Q40-K42 VanDerWaalsContact C-N 3.26Å; Q40-K42 PolarHBondContact O-N 3.42Å
43L46.7Very low43.9Very low149 Ų149130.1 Ų130.178%0.7872%0.718SS**G310 helixtrans-84.2-14.4174.9-111.291000113.9Q40 L41 G45Q40-L43 PolarHBondContact O-N 3.43Å; L41-L43 PolarHBondContact O-N 3.12Å; L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 3.08Å
44L42.1Very low43.2Very low136 Ų136127.3 Ų127.371%0.71271%0.708SS**G310 helixtrans-86.17.8-178.4-120.377.8000114.1L41L41-L44 PolarHBondContact O-N 3.37Å
45G37.4Very low42Very low77 Ų77133.1 Ų133.179%0.79473%0.733SS**G310 helixtrans-81.4-9.4176.400000115.2L43L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 3.08Å
46A38.8Very low41.4Very low100 Ų100138.3 Ų138.383%0.82675%0.747SS**SBendtrans-114-0.1-17100000115.3
47A35.3Very low40.2Very low77 Ų77133.4 Ų133.464%0.63674%0.741SS**  trans-14088.1-175.100000112.1
48S36.1Very low39Very low97 Ų97134 Ų13468%0.67875%0.749SS**  trans-176110.4135.835.10000110.7L50S48-L50 PolarHBondContact O-N 2.87Å
49N34.5Very low38.2Very low155 Ų155134.9 Ų134.983%0.82976%0.76SS**  trans-51.691.2152.7-70.3-71.4000108.8N51N49-N51 VanDerWaalsContact C-N 3.25Å; N49-N51 PolarHBondContact O-N 3.29Å
50L41.3Very low37.4Very low161 Ų161137.1 Ų137.184%0.84378%0.778SS**  trans-7092.4167.5-86.7159000107.4S48 K52S48-L50 PolarHBondContact O-N 2.87Å; L50-K52 PolarHBondContact O-N 2.9Å
51N34.5Very low36.7Very low147 Ų147133.8 Ų133.879%0.78677%0.774SS**  trans-45.9132168.1-78.6-45.6000109.9N49N49-N51 VanDerWaalsContact C-N 3.25Å; N49-N51 PolarHBondContact O-N 3.29Å
52K31.7Very low35.8Very low200 Ų200139.6 Ų139.687%0.8779%0.79SS**PPolyproline II helixtrans-50.4133.8179-70.2173178.11780110.5L50L50-K52 PolarHBondContact O-N 2.9Å
53P35.6Very low35.1Very low118 Ų118138.9 Ų138.977%0.76679%0.789SS**PPolyproline II helixtrans-65.7143.5178.426.6-32.7000110.7
54P34.2Very low34.3Very low105 Ų105134.7 Ų134.768%0.68278%0.782SS**PPolyproline II helixtrans-68.8133.3178.926.6-31.3000110.9F56P54-F56 HydrophobicContact CB-CE2 4.42Å; P54-F56 HydrophobicContact CG-CD2 4.44Å; P54-F56 HydrophobicContact CG-CE2 4.33Å; P54-F56 PolarHBondContact O-N 3.27Å; P54-F56 VanDerWaalsContact O-N 3.1Å
55M29.5Very low34.2Very low194 Ų194138.6 Ų138.696%0.95679%0.793SS**  trans-60108.2172.2-71-155.38300109.8
56F37.2Very low34.3Very low194 Ų194143.4 Ų143.485%0.85179%0.792SS**  trans-107.9133.2161.7-86.6-80.5000109P54P54-F56 HydrophobicContact CB-CE2 4.42Å; P54-F56 HydrophobicContact CG-CD2 4.44Å; P54-F56 HydrophobicContact CG-CE2 4.33Å; P54-F56 PolarHBondContact O-N 3.27Å; P54-F56 VanDerWaalsContact O-N 3.1Å
57G28.7Very low34.3Very low63 Ų63143.6 Ų143.665%0.64979%0.787SS**  trans-75.4163.4-161.200000115.7N59G57-N59 PolarHBondContact O-N 3.01Å; G57-N59 VanDerWaalsContact O-N 3.14Å
58D30.5Very low34.5Very low162 Ų162144.8 Ų144.887%0.86680%0.797SS**  trans-2.790.3156.4-54.4-32.5000115.6
59N32.4Very low34.4Very low157 Ų157144.7 Ų144.784%0.8479%0.789SS**  trans-130.493.8151.2-91.6-30.3000108.6G57 A61G57-N59 PolarHBondContact O-N 3.01Å; G57-N59 VanDerWaalsContact O-N 3.14Å; N59-A61 PolarHBondContact O-N 2.96Å
60T32.9Very low34.8Very low148 Ų148141.5 Ų141.591%0.90878%0.777SS**  trans-57.492.416343.20000110.2
61A33.2Very low34.9Very low70 Ų70142.2 Ų142.258%0.57977%0.774SS**  trans-154102.7164.600000110.5N59 Q63N59-A61 PolarHBondContact O-N 2.96Å; A61-Q63 PolarHBondContact O-N 3.07Å; A61-Q63 VanDerWaalsContact O-N 3.12Å
62Y30.5Very low35.3Very low238 Ų238140.6 Ų140.693%0.93376%0.764SS**  trans29.474.4145.1-77.8-94.1000116.5
63Q34Very low35.7Very low169 Ų169137.1 Ų137.179%0.7976%0.755SS**  trans-101.596.5159.8-76.2-75.9-2300107.4A61A61-Q63 PolarHBondContact O-N 3.07Å; A61-Q63 VanDerWaalsContact O-N 3.12Å
64G30.6Very low35.9Very low60 Ų60135.8 Ų135.862%0.61975%0.748SS**  trans-49.6141.1168.600000110.3K66G64-K66 VanDerWaalsContact C-N 3.26Å; G64-K66 PolarHBondContact O-N 3.09Å
65K38.7Very low36.1Very low218 Ų218134.4 Ų134.495%0.94874%0.741SS**  trans-50.278.7-178-58.3173.7179.6179.40112
66K41Very low36.4Very low178 Ų178131.2 Ų131.277%0.77473%0.727SS**  trans-84.4112.4164.8-77-177.5178.2178.70106.5G64 A68G64-K66 VanDerWaalsContact C-N 3.26Å; G64-K66 PolarHBondContact O-N 3.09Å; K66-A68 PolarHBondContact O-N 3.12Å
67S38.3Very low36.6Very low105 Ų105125.9 Ų125.973%0.73471%0.714SS**  trans-45.5125.9177.841.60000110.9N69S67-N69 PolarHBondContact O-N 3.2Å
68A39.7Very low37.1Very low102 Ų102130.4 Ų130.484%0.84372%0.718SS**  trans-74.762.7-175.400000111.8K66 P70K66-A68 PolarHBondContact O-N 3.12Å; A68-P70 WeakPolarHBondContact O-CD 3.3Å
69N32.3Very low37.4Very low94 Ų94130.7 Ų130.750%0.50371%0.714SS.*  trans-99.7100.2168.3-133.3-11.8000108.7S67 F71 L72S67-N69 PolarHBondContact O-N 3.2Å; N69-F71 PolarHBondContact O-N 3.06Å; N69-L72 PolarHBondContact O-N 3.01Å
70P44.6Very low37.8Very low89 Ų89130.6 Ų130.658%0.57871%0.713SS**Hα-helixtrans-63-14.3-172.624.3-33.6000113.8A68 S74A68-P70 WeakPolarHBondContact O-CD 3.3Å; P70-S74 PolarHBondContact O-OG 3.39Å
71F43.4Very low38.2Very low176 Ų176130 Ų13077%0.77270%0.704SS**Hα-helixtrans-74.7-22175-75.3-78.4000114.3N69N69-F71 PolarHBondContact O-N 3.06Å
72L42.3Very low38.4Very low112 Ų112131 Ų13159%0.58670%0.7SS**Hα-helixtrans-88.9-22.8-178-66.8-179.3000113.9N69N69-L72 PolarHBondContact O-N 3.01Å
73L40.9Very low38.9Very low128 Ų128124.7 Ų124.767%0.6769%0.687SS**Hα-helixtrans-89.8-25.5179.7-81.5158.7000113.5
74S39.3Very low39Very low90 Ų90127.4 Ų127.463%0.62969%0.691SS**Hα-helixtrans-77.7-26.5-177.7-60.20000113.4P70P70-S74 PolarHBondContact O-OG 3.39Å
75S37.9Very low39.3Very low76 Ų76132.2 Ų132.253%0.53170%0.697SS.*Hα-helixtrans-86.9-23.3-178.969.20000114.4
76L36.2Very low39.2Very low126 Ų126129.3 Ų129.366%0.6669%0.687SS**Hα-helixtrans-86.2-17.5-175.1-77166.3000114.5
77S42Very low38.8Very low83 Ų83126 Ų12658%0.5868%0.683SS**SBendtrans-82-16.8178.559.80000113.8
78H39.3Very low38.6Very low158 Ų158126.8 Ų126.873%0.73169%0.686SS**SBendtrans-98.40.6-175.1-73.739.4000114.5
79Q36.8Very low38.7Very low168 Ų168127 Ų12779%0.78569%0.688SS**SBendtrans-1253.9-179.1-88.8-174.8-6.800115.7N81Q79-N81 PolarHBondContact O-N 3.42Å
80L39.7Very low38.8Very low155 Ų155128.5 Ų128.581%0.81270%0.696SS**  trans-82.116.7166.8-69.6178.7000113.3N82L80-N82 PolarHBondContact O-N 2.87Å
81N41.6Very low38Very low134 Ų134134 Ų13472%0.71771%0.706SS**SBendtrans-7882.2157.9-124.7-10000107Q79 P83Q79-N81 PolarHBondContact O-N 3.42Å; N81-P83 VanDerWaalsContact O-CD 3.22Å; N81-P83 WeakPolarHBondContact O-CD 3.46Å; N81-P83 VanDerWaalsContact O-N 3.07Å
82N37Very low37.2Very low93 Ų93130 Ų13050%0.49771%0.706SS.*  trans-55.6110.6179.3-1559.5000107.8L80 W84 E85L80-N82 PolarHBondContact O-N 2.87Å; N82-W84 PolarHBondContact O-N 3.43Å; N82-E85 PolarHBondContact O-N 2.94Å
83P41.5Very low36.6Very low104 Ų104130.1 Ų130.168%0.67571%0.713SS**G310 helixtrans-67.5-3.1-171.125.8-33.4000113.4N81N81-P83 VanDerWaalsContact O-CD 3.22Å; N81-P83 WeakPolarHBondContact O-CD 3.46Å; N81-P83 VanDerWaalsContact O-N 3.07Å
84W35.3Very low35.9Very low227 Ų227129.9 Ų129.986%0.8672%0.722SS**G310 helixtrans-84.9-5.8176.9-59.7105.8000114.3N82N82-W84 PolarHBondContact O-N 3.43Å
85E37.4Very low35.8Very low161 Ų161130.6 Ų130.675%0.75273%0.728SS**G310 helixtrans-104.67.3179.8-70.5-162171.200115.1N82 P87N82-E85 PolarHBondContact O-N 2.94Å; E85-P87 WeakPolarHBondContact O-CD 3.14Å
86Q35.9Very low35.5Very low156 Ų156134.2 Ų134.273%0.72974%0.741SS**  trans-90.5107.5170.5-68.7-157.4-3.600111.1
87P33.1Very low35.3Very low109 Ų109133.3 Ų133.371%0.70875%0.745SS**  trans-62.9145.5169.927.1-33.3000109.7E85 A89E85-P87 WeakPolarHBondContact O-CD 3.14Å; P87-A89 PolarHBondContact O-N 2.94Å
88P34.7Very low34.9Very low122 Ų122137.6 Ų137.679%0.79276%0.756SS**  trans-63.1106.7-170.723.3-32.1000111N90P88-N90 VanDerWaalsContact C-N 3.3Å; P88-N90 PolarHBondContact O-N 3.02Å
89A41.3Very low34.2Very low106 Ų106142 Ų14288%0.87677%0.766SS**  trans-72.288.7174.800000109.6P87P87-A89 PolarHBondContact O-N 2.94Å
90N34.1Very low33.8Very low125 Ų125142 Ų14267%0.66877%0.766SS**  trans-57.9131.9165.3-106-26.2000110.9P88P88-N90 VanDerWaalsContact C-N 3.3Å; P88-N90 PolarHBondContact O-N 3.02Å
91Y29.3Very low33.1Very low205 Ų205144.2 Ų144.280%0.80477%0.765SS**  trans65.6108.5160.9-66.9-83.9000119.5
92A25.2Very low32.6Very low92 Ų92143.9 Ų143.976%0.7677%0.771SS**  trans-57.3141.7153.300000111.9
93P29.7Very low32.4Very low114 Ų114147.7 Ų147.774%0.7478%0.783SS**  trans-112.4104.8141.930.1-17.1000108S95P93-S95 PolarHBondContact O-N 3.09Å; P93-S95 VanDerWaalsContact O-N 3.13Å
94S26.9Very low31.7Very low123 Ų123152.8 Ų152.886%0.8679%0.789SS**  trans-55.9110.3160.219.40000108.7
95S37.8Very low31.3Very low106 Ų106147 Ų14774%0.74179%0.789SS**  trans-133.9125.1163.8530000109.2P93 S97P93-S95 PolarHBondContact O-N 3.09Å; P93-S95 VanDerWaalsContact O-N 3.13Å; S95-S97 PolarHBondContact O-N 2.85Å
96D30.4Very low31Very low151 Ų151145.8 Ų145.881%0.80778%0.784SS**  trans-55.7119.1-175.7-58.8-72000112.2
97S31.9Very low30.7Very low107 Ų107148.1 Ų148.175%0.74880%0.795SS**  trans-112.190.7162-160.90000108.4S95 W99S95-S97 PolarHBondContact O-N 2.85Å; S97-W99 PolarHBondContact O-N 2.7Å
98Q33.6Very low30.4Very low174 Ų174147.7 Ų147.781%0.81380%0.8SS**  trans-63.4110.1175.1-61.2176-7.200108.9Q100Q98-Q100 PolarHBondContact O-N 3.32Å; Q98-Q100 VanDerWaalsContact O-N 3.14Å
99W25.8Very low30.2Very low249 Ų249146.1 Ų146.194%0.94380%0.798SS**  trans-67.799.7171-73.691.2000110.4S97S97-W99 PolarHBondContact O-N 2.7Å
100Q27.3Very low29.8Very low169 Ų169149.2 Ų149.279%0.7980%0.799SS**  trans-150117.5158.1-72-168.94.700109Q98Q98-Q100 PolarHBondContact O-N 3.32Å; Q98-Q100 VanDerWaalsContact O-N 3.14Å
101Y25.5Very low29.4Very low201 Ų201146.4 Ų146.479%0.78880%0.8SS**  trans-176.294.3144.7-96.5-66.8000110.3F103Y101-F103 AromaticContact CD1-CD2 3.7Å; Y101-F103 HydrophobicContact CD1-CD2 3.7Å; Y101-F103 AromaticContact CD1-CE2 3.18Å; Y101-F103 HydrophobicContact CD1-CE2 3.18Å; Y101-F103 AromaticContact CD1-CZ 3.87Å; Y101-F103 HydrophobicContact CD1-CZ 3.87Å; Y101-F103 HydrophobicContact CE1-CD2 4.46Å; Y101-F103 AromaticContact CE1-CE2 3.56Å; Y101-F103 HydrophobicContact CE1-CE2 3.56Å; Y101-F103 AromaticContact CE1-CZ 3.8Å; Y101-F103 HydrophobicContact CE1-CZ 3.8Å; Y101-F103 HydrophobicContact CG-CD2 4.27Å; Y101-F103 AromaticContact CG-CE2 3.89Å; Y101-F103 HydrophobicContact CG-CE2 3.89Å
102P31.9Very low29.5Very low128 Ų128144.9 Ų144.983%0.83180%0.804SS**  trans-93.896.615931.1-22.8000109.1R104P102-R104 PolarHBondContact O-N 2.85Å
103F32.3Very low29.8Very low173 Ų173143.8 Ų143.876%0.75980%0.802SS**  trans-75.8118170.1-89-85000110.1Y101Y101-F103 AromaticContact CD1-CD2 3.7Å; Y101-F103 HydrophobicContact CD1-CD2 3.7Å; Y101-F103 AromaticContact CD1-CE2 3.18Å; Y101-F103 HydrophobicContact CD1-CE2 3.18Å; Y101-F103 AromaticContact CD1-CZ 3.87Å; Y101-F103 HydrophobicContact CD1-CZ 3.87Å; Y101-F103 HydrophobicContact CE1-CD2 4.46Å; Y101-F103 AromaticContact CE1-CE2 3.56Å; Y101-F103 HydrophobicContact CE1-CE2 3.56Å; Y101-F103 AromaticContact CE1-CZ 3.8Å; Y101-F103 HydrophobicContact CE1-CZ 3.8Å; Y101-F103 HydrophobicContact CG-CD2 4.27Å; Y101-F103 AromaticContact CG-CE2 3.89Å; Y101-F103 HydrophobicContact CG-CE2 3.89Å
104R25.8Very low29.9Very low210 Ų210146.5 Ų146.579%0.79281%0.808SS**  trans-70126.9167.7-118.8-158.6-167.6-164.210.2109.4P102 E106P102-R104 PolarHBondContact O-N 2.85Å; R104-E106 IonicContact CZ-OE1 2.83Å; R104-E106 IonicContact NH1-OE1 3.85Å; R104-E106 PolarHBondContact NH1-OE1 3.05Å; R104-E106 PolarHBondContact O-N 2.7Å
105A27.9Very low30.2Very low105 Ų105149.3 Ų149.387%0.86881%0.808SS**  trans-85.5102.2171.400000110.1
106E30.1Very low29.6Very low137 Ų137149.5 Ų149.564%0.6481%0.809SS**  trans-134.3109.1164.7-84.7178.6-155.300108R104R104-E106 IonicContact CZ-OE1 2.83Å; R104-E106 IonicContact NH1-OE1 3.85Å; R104-E106 PolarHBondContact NH1-OE1 3.05Å; R104-E106 PolarHBondContact O-N 2.7Å
107Q29.2Very low29.7Very low205 Ų205151 Ų15196%0.95881%0.814SS**  trans160.982145.4-89.3170.812.500108.9
108A27.7Very low29.5Very low99 Ų99152.3 Ų152.382%0.81882%0.817SS**  trans-93.4144.4160.400000108.8
109A30Very low29.5Very low90 Ų90149.8 Ų149.874%0.74482%0.816SS**  trans73.487.5163.400000117.1
110N33.3Very low29.7Very low170 Ų170142.9 Ų142.991%0.90981%0.805SS**  -146.293.2122.3-95.5-28.1000109
111G26.9Very low29.8Very low66 Ų66143.9 Ų143.968%0.6881%0.81SS**  trans-68.1128.4159.100000108.8
112I31.3Very low29.8Very low173 Ų173143.9 Ų143.989%0.88782%0.82SS**  174.8103.8124.3-79.5151.1000104.2
113G29.8Very low29.6Very low70 Ų70141.4 Ų141.472%0.72282%0.817SS**  trans-174.849.5-18000000109.4Q115G113-Q115 PolarHBondContact O-N 3.26Å
114I32.4Very low29.7Very low171 Ų171139 Ų13988%0.87782%0.822SS**  trans-65.599.6171.317.1172.8000107.5
115Q33.1Very low29.9Very low181 Ų181134.4 Ų134.485%0.84682%0.822SS**  trans-121.498.3158.4-68.4-160.726.200108.4G113 M117G113-Q115 PolarHBondContact O-N 3.26Å; Q115-M117 PolarHBondContact O-N 3.19Å
116S26.2Very low30.3Very low110 Ų110135.2 Ų135.277%0.76982%0.819SS**  trans-64.7111163.348.90000109.8
117M31.8Very low30.6Very low183 Ų183137.6 Ų137.690%0.90183%0.827SS**  trans-13899.9150.4-72.7-163.2172.100108.6Q115Q115-M117 PolarHBondContact O-N 3.19Å
118T28.5Very low30.6Very low134 Ų134133.1 Ų133.182%0.82282%0.818SS**  trans-73.7167.7172.624.60000111.6
119P32.1Very low30.8Very low121 Ų121138.6 Ų138.679%0.78682%0.819SS**  trans-98158-132.737.6-35.9000113.4
120S29.9Very low30.6Very low104 Ų104143.1 Ų143.173%0.72783%0.825SS**  trans-132.9131.9168.9-81.70000110.1
121Q30.3Very low30.5Very low190 Ų190140.9 Ų140.989%0.88882%0.82SS**  trans83.374.1152-60.5174.753.800117.4
122M25.7Very low30.8Very low202 Ų202143.5 Ų143.5100%0.99583%0.828SS**  trans-73.2123.4143.4-73.7174.884.700108.6
123G27.5Very low30.8Very low75 Ų75141.4 Ų141.477%0.77382%0.823SS**  trans176.382174.500000112.3
124S33.5Very low30.9Very low124 Ų124146.8 Ų146.887%0.86783%0.83SS**  trans-156.5126.7160.141.30000111.5
125S30.8Very low30.9Very low112 Ų112150.5 Ų150.578%0.78383%0.833SS**  trans-71.7171.8-166.935.70000116.3
126P37.1Very low30.9Very low123 Ų123147.9 Ų147.980%0.79984%0.835SS**  trans-96.3149.2-159.337.1-31.1000113.9
127F35.9Very low31.4Very low186 Ų186147.9 Ų147.982%0.81684%0.835SS**  trans-104.7114.3168.9-94.9-88.1000110.3Y129F127-Y129 HydrophobicContact CD1-CD2 4.15Å; F127-Y129 AromaticContact CD1-CE2 3.96Å; F127-Y129 HydrophobicContact CD1-CE2 3.96Å; F127-Y129 HydrophobicContact CE1-CE2 4.22Å
128S27.9Very low31.5Very low111 Ų111143 Ų14378%0.77683%0.831SS**  trans-101.6122.2167.445.60000109
129Y32.5Very low31.9Very low214 Ų214144.3 Ų144.384%0.83983%0.832SS**  trans-127.9136.9170.1-101.4-87.9000111F127F127-Y129 HydrophobicContact CD1-CD2 4.15Å; F127-Y129 AromaticContact CD1-CE2 3.96Å; F127-Y129 HydrophobicContact CD1-CE2 3.96Å; F127-Y129 HydrophobicContact CE1-CE2 4.22Å
130Q26.6Very low32.2Very low185 Ų185144.3 Ų144.386%0.86483%0.832SS**  trans-72.3156.4-170.4-83.5-173.8-87.600115.5
131P30.1Very low32.6Very low124 Ų124144.8 Ų144.881%0.80583%0.826SS**  trans-86.4139.3170.934.2-31.7000112.7
132S33.2Very low33.1Very low120 Ų120141 Ų14184%0.83982%0.818SS**  trans-116.1137.2176.850.90000112.2
133T32.6Very low33.8Very low129 Ų129136 Ų13679%0.79180%0.804SS**  trans-64.5147.2-165.1-49.60000117
134E31.8Very low34.5Very low184 Ų184138.1 Ų138.186%0.8680%0.802SS**  trans-35.2132.1168.2-61.9165165.600116.1
135R32.3Very low34.6Very low248 Ų248140.1 Ų140.194%0.93680%0.795SS**  trans-121.8116.7161.9-83.8-175.4171.8-172.8-2.1108.7
136S32.4Very low34.6Very low127 Ų127138.2 Ų138.289%0.88879%0.793SS**  trans-83132.3170.263.20000110.1
137S37.3Very low34.6Very low110 Ų110141.2 Ų141.277%0.76979%0.794SS**  trans-144113.7167.456.50000108.1
138G33.9Very low34.4Very low81 Ų81137.6 Ų137.684%0.83579%0.792SS**PPolyproline II helixtrans-61.7141.8-178.100000112.8
139L36.8Very low34.6Very low161 Ų161136.9 Ų136.984%0.84379%0.786SS**PPolyproline II helixtrans-77.2142.6173.1-8994.3000111.1
140P39.2Very low34.8Very low120 Ų120132.7 Ų132.778%0.77979%0.786SS**PPolyproline II helixtrans-79.1147.3179.930.5-32.6000113.7
141D36.6Very low34.9Very low114 Ų114133 Ų13361%0.6179%0.785SS**PPolyproline II helixtrans-61.1128.2-179.2-171.3-30.8000112.8S143D141-S143 VanDerWaalsContact C-N 3.27Å; D141-S143 PolarHBondContact O-N 3.42Å; D141-S143 PolarHBondContact OD1-N 3.19Å; D141-S143 VanDerWaalsContact OD1-N 3.16Å; D141-S143 PolarHBondContact OD1-OG 3.42Å
142P42.4Very low34.9Very low110 Ų110136.3 Ų136.371%0.71479%0.789SS**G310 helixtrans-772.1-173.930.7-34.7000115.4T144P142-T144 PolarHBondContact O-N 2.93Å; P142-T144 VanDerWaalsContact O-N 3.15Å
143S38.9Very low34.7Very low99 Ų99135.9 Ų135.969%0.69279%0.786SS**G310 helixtrans-72.50.7178.553.40000115.3D141D141-S143 VanDerWaalsContact C-N 3.27Å; D141-S143 PolarHBondContact O-N 3.42Å; D141-S143 PolarHBondContact OD1-N 3.19Å; D141-S143 VanDerWaalsContact OD1-N 3.16Å; D141-S143 PolarHBondContact OD1-OG 3.42Å
144T43Very low34.5Very low119 Ų119133.3 Ų133.373%0.7379%0.785SS**G310 helixtrans-89.9-11-177.3-53.30000114.2P142 G146P142-T144 PolarHBondContact O-N 2.93Å; P142-T144 VanDerWaalsContact O-N 3.15Å; T144-G146 VanDerWaalsContact C-N 3.31Å; T144-G146 PolarHBondContact O-N 2.97Å
145F36.4Very low34.3Very low166 Ų166133.1 Ų133.173%0.72878%0.784SS**  trans-86.274.6179.5-74.1-80.4000111.8F147F145-F147 HydrophobicContact CB-CE2 4.27Å; F145-F147 PolarHBondContact O-N 2.97Å
146G30.3Very low34.3Very low71 Ų71127.6 Ų127.673%0.73278%0.778SS**  trans-66.8107.4161.800000110.1T144T144-G146 VanDerWaalsContact C-N 3.31Å; T144-G146 PolarHBondContact O-N 2.97Å
147F35.9Very low34Very low186 Ų186132.4 Ų132.482%0.81678%0.776SS**PPolyproline II helixtrans-84.2125.6165.7-78.6-80.8000109.8F145 S149F145-F147 HydrophobicContact CB-CE2 4.27Å; F145-F147 PolarHBondContact O-N 2.97Å; F147-S149 PolarHBondContact O-N 2.79Å
148S33.2Very low33.6Very low111 Ų111133.3 Ų133.378%0.77678%0.777SS**PPolyproline II helixtrans-63.6123.7-179.2-27.30000110.1P150S148-P150 WeakPolarHBondContact O-CD 3.47Å
149S32.4Very low33.4Very low95 Ų95134.9 Ų134.966%0.66477%0.773SS**PPolyproline II helixtrans-68.1124.7166.147.30000109.3F147 F151F147-S149 PolarHBondContact O-N 2.79Å; S149-F151 PolarHBondContact O-N 3.39Å; S149-F151 VanDerWaalsContact O-N 3.15Å
150P36.2Very low33Very low127 Ų127135.5 Ų135.583%0.82577%0.772SS**  trans-70.8111.2167.727.1-28.4000108.3S148S148-P150 WeakPolarHBondContact O-CD 3.47Å
151F28Very low32.5Very low192 Ų192139.5 Ų139.584%0.84278%0.78SS**  trans-57.2129.1150.7-89.2-102.9000108.2S149S149-F151 PolarHBondContact O-N 3.39Å; S149-F151 VanDerWaalsContact O-N 3.15Å
152E29.4Very low32.2Very low192 Ų192137.8 Ų137.890%0.89778%0.777SS**  trans-161.9132.4130.5-114.9175.4-179.100112.7
153S29.5Very low31.6Very low111 Ų111138.5 Ų138.578%0.77679%0.785SS**  trans-77.1112.6-174.645.50000112.2
154G29Very low31.4Very low75 Ų75142.2 Ų142.277%0.77379%0.789SS**  trans-107.980162.900000110.5V156G154-V156 PolarHBondContact O-N 3.02Å; G154-V156 VanDerWaalsContact O-N 3.16Å
155Q26.3Very low30.8Very low181 Ų181147.3 Ų147.385%0.84680%0.796SS**  trans-67.7103.5168.3-80.2-176.3-22.900109.4
156V33Very low30.8Very low132 Ų132145.4 Ų145.480%0.880%0.803SS**  trans-119.3109.4155.5-177.60000107.4G154G154-V156 PolarHBondContact O-N 3.02Å; G154-V156 VanDerWaalsContact O-N 3.16Å
157R26.1Very low30.8Very low227 Ų227144.6 Ų144.686%0.85780%0.795SS**  trans-64.2125.8173-65.5173.8171.1-167.3-3.4109.1
158T29.1Very low31Very low129 Ų129141.9 Ų141.979%0.79180%0.796SS**  trans-134.6114.1150.330.30000108
159P29.3Very low31Very low114 Ų114141.4 Ų141.474%0.7479%0.793SS**  trans-76.3166.8172.432.8-30.6000110.4
160E29.4Very low31.5Very low175 Ų175142.8 Ų142.882%0.81880%0.799SS**  trans8976.8-179.3-47.6-156.9171.300113.3S162E160-S162 PolarHBondContact O-N 2.86Å
161Q28.2Very low31.8Very low203 Ų203142 Ų14295%0.94980%0.797SS**  3671.783.9-72.5-166.42.900113.3
162S30.1Very low32.3Very low78 Ų78137.9 Ų137.955%0.54579%0.792SS.*  trans-120119.5145.242.10000107.8E160 F164E160-S162 PolarHBondContact O-N 2.86Å; S162-F164 WeakPolarHBondContact O-CD2 2.96Å; S162-F164 PolarHBondContact O-N 3.09Å; S162-F164 WeakPolarHBondContact OG-CE2 3.37Å
163S31Very low32.9Very low126 Ų126139.5 Ų139.588%0.88179%0.791SS**  trans-63.577174.6-57.50000109.2Y165S163-Y165 PolarHBondContact O-N 2.77Å; S163-Y165 VanDerWaalsContact O-N 3.1Å
164F34.3Very low33.6Very low176 Ų176139.7 Ų139.777%0.77278%0.784SS**  trans-66.4112.6165.4-76.7-77.8000107S162 S166S162-F164 WeakPolarHBondContact O-CD2 2.96Å; S162-F164 PolarHBondContact O-N 3.09Å; S162-F164 WeakPolarHBondContact OG-CE2 3.37Å; F164-S166 PolarHBondContact O-N 3.2Å
165Y31Very low34.3Very low227 Ų227138.8 Ų138.889%0.8977%0.766SS**  trans-23116.9165.8-96.2-107000111.5S163 G167S163-Y165 PolarHBondContact O-N 2.77Å; S163-Y165 VanDerWaalsContact O-N 3.1Å; Y165-G167 PolarHBondContact O-N 2.83Å
166S34.7Very low35.4Very low126 Ų126134.8 Ų134.888%0.88176%0.755SS**  trans-62.780.4163.3-55.80000108.3F164F164-S166 PolarHBondContact O-N 3.2Å
167G30.2Very low36.3Very low54 Ų54132.8 Ų132.856%0.55774%0.743SS**PPolyproline II helixtrans-60.1137161.800000107.7Y165 S169Y165-G167 PolarHBondContact O-N 2.83Å; G167-S169 PolarHBondContact O-N 2.82Å; G167-S169 VanDerWaalsContact O-N 3.09Å
168P39.9Very low37.6Very low128 Ų128127.1 Ų127.183%0.83173%0.727SS**PPolyproline II helixtrans-55.4123.5-179.123.7-31.8000108.1
169S34.2Very low38.8Very low102 Ų102125.1 Ų125.171%0.71371%0.711SS**PPolyproline II helixtrans-48.3134.6175.8-56.20000108.6G167 S171G167-S169 PolarHBondContact O-N 2.82Å; G167-S169 VanDerWaalsContact O-N 3.09Å; S169-S171 PolarHBondContact O-N 2.89Å
170P43.1Very low40Very low123 Ų123124.9 Ų124.980%0.79970%0.703SS**  trans-52.8111.8-179.120.6-31.1000107.8S172P170-S172 PolarHBondContact O-N 2.87Å
171S41.4Very low41.3Very low112 Ų112122.8 Ų122.878%0.78369%0.693SS**  trans-46.4117.5171.7-39.50000106.5S169 Y173S169-S171 PolarHBondContact O-N 2.89Å; S171-Y173 PolarHBondContact O-N 3.43Å
172S40.4Very low42.6Very low104 Ų104118.1 Ų118.173%0.72768%0.675SS**  trans3.3112.1161.4-41.40000112.9P170 N174P170-S172 PolarHBondContact O-N 2.87Å; S172-N174 VanDerWaalsContact C-N 3.35Å; S172-N174 PolarHBondContact O-N 3.32Å
173Y41.1Very low43.8Very low227 Ų227118.7 Ų118.789%0.8967%0.672SS**  trans-40.8106.2159.9-85.2-96.8000107.8S171 S175S171-Y173 PolarHBondContact O-N 3.43Å; Y173-S175 PolarHBondContact O-N 2.88Å
174N44.5Very low44.9Very low115 Ų115119.9 Ų119.962%0.61566%0.661SS**  trans-58.3113.1167-92-17.1000104.6S172 P176S172-N174 VanDerWaalsContact C-N 3.35Å; S172-N174 PolarHBondContact O-N 3.32Å; N174-P176 WeakPolarHBondContact O-CD 3.32Å
175S43.4Very low46Very low56 Ų56117.2 Ų117.239%0.39265%0.651SS.*  trans-54.5123.6177480000107.6Y173 T177 Q178Y173-S175 PolarHBondContact O-N 2.88Å; S175-T177 WeakPolarHBondContact CB-OG1 3.33Å; S175-T177 PolarHBondContact O-N 2.74Å; S175-T177 PolarHBondContact OG-OG1 2.77Å; S175-Q178 PolarHBondContact O-N 2.96Å
176P49.9Very low47.1Very low96 Ų96115.8 Ų115.862%0.62364%0.644SS**Hα-helixtrans-58.9-12.2-175.119.5-31000113.6N174 L180N174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-L180 WeakPolarHBondContact O-CG 3.49Å; P176-L180 PolarHBondContact O-N 3.37Å
177T51.8Low48.2Very low91 Ų91114.7 Ų114.756%0.55863%0.632SS**Hα-helixtrans-62.8-34171.443.80000113.7S175 Q181S175-T177 WeakPolarHBondContact CB-OG1 3.33Å; S175-T177 PolarHBondContact O-N 2.74Å; S175-T177 PolarHBondContact OG-OG1 2.77Å; T177-Q181 PolarHBondContact O-N 3.48Å
178Q53.1Low49.5Very low107 Ų107117.7 Ų117.750%0.563%0.631SS.*Hα-helixtrans-73.1-40.1177.6-85.9-173.7-19.400112.3S175 L180 Q181 N182S175-Q178 PolarHBondContact O-N 2.96Å; Q178-L180 VanDerWaalsContact C-N 3.29Å; Q178-L180 PolarHBondContact O-N 3.43Å; Q178-Q181 PolarHBondContact O-N 3.06Å; Q178-N182 PolarHBondContact O-N 3.45Å
179D53.7Low50.3Low88 Ų88114.1 Ų114.147%0.47161%0.613SS.*Hα-helixtrans-66.5-33.2177.3-79.8-26000112.1N183D179-N183 WeakPolarHBondContact O-CB 3.47Å; D179-N183 PolarHBondContact O-N 3.11Å; D179-N183 PolarHBondContact O-ND2 3.42Å
180L54.9Low51.5Low108 Ų108110.7 Ų110.757%0.56559%0.593SS**Hα-helixtrans-67.4-42.1173.1-78.3162.8000112.1P176 Q178 N183 F184P176-L180 WeakPolarHBondContact O-CG 3.49Å; P176-L180 PolarHBondContact O-N 3.37Å; Q178-L180 VanDerWaalsContact C-N 3.29Å; Q178-L180 PolarHBondContact O-N 3.43Å; L180-N183 PolarHBondContact O-N 2.95Å; L180-F184 PolarHBondContact O-N 3.26Å
181Q55.6Low52Low131 Ų131111.9 Ų111.961%0.61258%0.583SS**Hα-helixtrans-65.4-43.9176.3-81.4-171.5-2500112.4T177 Q178 N183 F184 H185T177-Q181 PolarHBondContact O-N 3.48Å; Q178-Q181 PolarHBondContact O-N 3.06Å; Q181-N183 VanDerWaalsContact C-N 3.32Å; Q181-N183 PolarHBondContact O-N 3.21Å; Q181-F184 PolarHBondContact O-N 3.1Å; Q181-H185 PolarHBondContact O-N 3.07Å
182N56.3Low52.9Low106 Ų106110.8 Ų110.857%0.56757%0.568SS**Hα-helixtrans-63.9-38.6176.8-76.1-20.9000111.8Q178 R186Q178-N182 PolarHBondContact O-N 3.45Å; N182-R186 WeakPolarHBondContact O-CB 3.24Å; N182-R186 PolarHBondContact O-N 2.99Å; N182-R186 VanDerWaalsContact O-N 3.11Å
183N54.5Low53.9Low90 Ų90111.1 Ų111.148%0.48156%0.562SS.*Hα-helixtrans-66.1-39.8173.6-87.3-53.6000112.4D179 L180 Q181 H185 R186 V187D179-N183 WeakPolarHBondContact O-CB 3.47Å; D179-N183 PolarHBondContact O-N 3.11Å; D179-N183 PolarHBondContact O-ND2 3.42Å; L180-N183 PolarHBondContact O-N 2.95Å; Q181-N183 VanDerWaalsContact C-N 3.32Å; Q181-N183 PolarHBondContact O-N 3.21Å; N183-H185 PolarHBondContact O-N 2.97Å; N183-R186 PolarHBondContact O-N 3.01Å; N183-V187 WeakPolarHBondContact O-CG2 3.46Å; N183-V187 PolarHBondContact O-N 2.75Å
184F55.6Low54.9Low150 Ų150105 Ų10566%0.65854%0.544SS*.Hα-helixtrans-60.9-45.4176.8-109.2-84.1000112.1L180 Q181 R186 V187 Q188L180-F184 PolarHBondContact O-N 3.26Å; Q181-F184 PolarHBondContact O-N 3.1Å; F184-R186 VanDerWaalsContact C-N 3.32Å; F184-R186 PolarHBondContact O-N 2.88Å; F184-V187 PolarHBondContact O-N 3.29Å; F184-Q188 WeakPolarHBondContact O-CB 3.47Å; F184-Q188 PolarHBondContact O-N 2.94Å
185H55.9Low55.6Low121 Ų121102.3 Ų102.356%0.5653%0.529SS*.Hα-helixtrans-63.8-37.5176.8-70.8-31.1000112.7Q181 N183 Q188 A189Q181-H185 PolarHBondContact O-N 3.07Å; N183-H185 PolarHBondContact O-N 2.97Å; H185-Q188 PolarHBondContact O-N 2.91Å; H185-A189 PolarHBondContact O-N 2.86Å
186R54.8Low56.5Low197 Ų197104.4 Ų104.474%0.74354%0.535SS*.Hα-helixtrans-68.2-39.7177.8-165.8173.7178.1-116.3-1.8112.6N182 N183 F184 G190N182-R186 WeakPolarHBondContact O-CB 3.24Å; N182-R186 PolarHBondContact O-N 2.99Å; N182-R186 VanDerWaalsContact O-N 3.11Å; N183-R186 PolarHBondContact O-N 3.01Å; F184-R186 VanDerWaalsContact C-N 3.32Å; F184-R186 PolarHBondContact O-N 2.88Å; R186-G190 PolarHBondContact O-N 2.67Å
187V57.9Low57Low103 Ų103103.7 Ų103.762%0.62454%0.538SS*.Hα-helixtrans-67.3-40175.5174.10000110.8N183 F184 G190 Y191N183-V187 WeakPolarHBondContact O-CG2 3.46Å; N183-V187 PolarHBondContact O-N 2.75Å; F184-V187 PolarHBondContact O-N 3.29Å; V187-G190 PolarHBondContact O-N 3.35Å; V187-Y191 PolarHBondContact O-N 3.27Å
188Q57.5Low57.1Low117 Ų117104.9 Ų104.955%0.54754%0.538SS..Hα-helixtrans-68.7-37.3-179.5-159.5172.64.600112.6F184 H185 Y191 N192F184-Q188 WeakPolarHBondContact O-CB 3.47Å; F184-Q188 PolarHBondContact O-N 2.94Å; H185-Q188 PolarHBondContact O-N 2.91Å; Q188-Y191 PolarHBondContact O-N 3.23Å; Q188-N192 PolarHBondContact O-N 3.41Å
189A55.8Low57.1Low53 Ų53107.2 Ų107.244%0.43854%0.544SS..Hα-helixtrans-61.9-47.317200000111.5H185 Y191 N192 D193H185-A189 PolarHBondContact O-N 2.86Å; A189-Y191 VanDerWaalsContact C-N 3.3Å; A189-Y191 PolarHBondContact O-N 2.94Å; A189-N192 PolarHBondContact O-N 2.99Å; A189-D193 PolarHBondContact O-N 3.2Å; A189-D193 VanDerWaalsContact O-N 3.12Å
190G59.2Low57.1Low29 Ų29107.4 Ų107.430%0.29955%0.55SS..Hα-helixtrans-62.6-34.1177.700000113.5R186 V187 D193 I194R186-G190 PolarHBondContact O-N 2.67Å; V187-G190 PolarHBondContact O-N 3.35Å; G190-D193 PolarHBondContact O-N 2.82Å; G190-I194 WeakPolarHBondContact O-CD1 3.49Å; G190-I194 VanDerWaalsContact O-CG1 3.24Å; G190-I194 WeakPolarHBondContact O-CG1 3.41Å; G190-I194 PolarHBondContact O-N 2.78Å
191Y55Low57.1Low149 Ų149109.5 Ų109.558%0.58456%0.559SS**Hα-helixtrans-68.5-39.5177.7-163.5-102.3000112.5V187 Q188 A189 I194 L195V187-Y191 PolarHBondContact O-N 3.27Å; Q188-Y191 PolarHBondContact O-N 3.23Å; A189-Y191 VanDerWaalsContact C-N 3.3Å; A189-Y191 PolarHBondContact O-N 2.94Å; Y191-I194 PolarHBondContact O-N 3.44Å; Y191-L195 HydrophobicContact CD1-CD1 3.66Å; Y191-L195 HydrophobicContact CD1-CG 4.19Å; Y191-L195 HydrophobicContact CE1-CD1 3.43Å; Y191-L195 VanDerWaalsContact CE1-CD1 3.43Å; Y191-L195 HydrophobicContact CE1-CG 3.96Å; Y191-L195 WeakPolarHBondContact O-CB 3.37Å; Y191-L195 WeakPolarHBondContact O-CG 3.24Å; Y191-L195 PolarHBondContact O-N 3.33Å
192N59.2Low56.8Low89 Ų89110.7 Ų110.748%0.47657%0.569SS.*Hα-helixtrans-67.5-37.1175.3-81.3-16.7000112.3Q188 A189 L195 N196Q188-N192 PolarHBondContact O-N 3.41Å; A189-N192 PolarHBondContact O-N 2.99Å; N192-L195 PolarHBondContact O-N 3.01Å; N192-N196 WeakPolarHBondContact O-CB 3.3Å; N192-N196 PolarHBondContact O-N 3.16Å; N192-N196 PolarHBondContact O-ND2 3.35Å
193D62.7Low56.6Low110 Ų110113.8 Ų113.859%0.58858%0.58SS**Hα-helixtrans-64.8-42.2175.7-70.4-19.2000111.4A189 G190 N196 A197A189-D193 PolarHBondContact O-N 3.2Å; A189-D193 VanDerWaalsContact O-N 3.12Å; G190-D193 PolarHBondContact O-N 2.82Å; D193-N196 PolarHBondContact O-N 3.14Å; D193-A197 VanDerWaalsContact O-CB 3.3Å; D193-A197 WeakPolarHBondContact O-CB 3.38Å; D193-A197 PolarHBondContact O-N 3.36Å
194I60.7Low56.3Low100 Ų100115.6 Ų115.651%0.51359%0.586SS.*Hα-helixtrans-64.9-42.9175.6-66.1164.3000110.7G190 Y191 A197 M198G190-I194 WeakPolarHBondContact O-CD1 3.49Å; G190-I194 VanDerWaalsContact O-CG1 3.24Å; G190-I194 WeakPolarHBondContact O-CG1 3.41Å; G190-I194 PolarHBondContact O-N 2.78Å; Y191-I194 PolarHBondContact O-N 3.44Å; I194-A197 PolarHBondContact O-N 3.12Å; I194-M198 HydrophobicContact CG2-CG 4.36Å; I194-M198 HydrophobicContact CG2-SD 3.91Å; I194-M198 WeakPolarHBondContact O-CB 3.45Å; I194-M198 WeakPolarHBondContact O-CG 3.34Å; I194-M198 PolarHBondContact O-N 3.14Å
195L59.8Low56Low57 Ų57117.5 Ų117.530%0.29859%0.589SS.*Hα-helixtrans-64-42.2177.5-81.8175.9000112.3Y191 N192 A197 M198 Y199Y191-L195 HydrophobicContact CD1-CD1 3.66Å; Y191-L195 HydrophobicContact CD1-CG 4.19Å; Y191-L195 HydrophobicContact CE1-CD1 3.43Å; Y191-L195 VanDerWaalsContact CE1-CD1 3.43Å; Y191-L195 HydrophobicContact CE1-CG 3.96Å; Y191-L195 WeakPolarHBondContact O-CB 3.37Å; Y191-L195 WeakPolarHBondContact O-CG 3.24Å; Y191-L195 PolarHBondContact O-N 3.33Å; N192-L195 PolarHBondContact O-N 3.01Å; L195-A197 VanDerWaalsContact C-N 3.31Å; L195-A197 PolarHBondContact O-N 3.11Å; L195-M198 PolarHBondContact O-N 2.86Å; L195-Y199 HydrophobicContact CD2-CD2 4.3Å; L195-Y199 HydrophobicContact CD2-CE2 4.45Å; L195-Y199 WeakPolarHBondContact O-CA 3.41Å; L195-Y199 PolarHBondContact O-N 2.78Å
196N61.6Low55.6Low100 Ų100121.9 Ų121.954%0.53560%0.6SS.*Hα-helixtrans-68.9-30.3176.7-75.7-22.3000112.5N192 D193 Y199 P200N192-N196 WeakPolarHBondContact O-CB 3.3Å; N192-N196 PolarHBondContact O-N 3.16Å; N192-N196 PolarHBondContact O-ND2 3.35Å; D193-N196 PolarHBondContact O-N 3.14Å; N196-Y199 CarbonylContact O-C 3.33Å; N196-P200 WeakPolarHBondContact O-CA 3.39Å; N196-P200 VanDerWaalsContact O-N 3.14Å
197A60.9Low55.1Low82 Ų82115.7 Ų115.768%0.67860%0.598SS**Hα-helixtrans-74-37.8173.700000112.3D193 I194 L195D193-A197 VanDerWaalsContact O-CB 3.3Å; D193-A197 WeakPolarHBondContact O-CB 3.38Å; D193-A197 PolarHBondContact O-N 3.36Å; I194-A197 PolarHBondContact O-N 3.12Å; L195-A197 VanDerWaalsContact C-N 3.31Å; L195-A197 PolarHBondContact O-N 3.11Å
198M53.7Low54.8Low115 Ų115116.7 Ų116.757%0.56760%0.596SS**Hα-helixtrans-76.7-39178.3-79.4-178.919.800112.9I194 L195 P200I194-M198 HydrophobicContact CG2-CG 4.36Å; I194-M198 HydrophobicContact CG2-SD 3.91Å; I194-M198 WeakPolarHBondContact O-CB 3.45Å; I194-M198 WeakPolarHBondContact O-CG 3.34Å; I194-M198 PolarHBondContact O-N 3.14Å; L195-M198 PolarHBondContact O-N 2.86Å; M198-P200 WeakPolarHBondContact O-CD 3.27Å
199Y54.4Low54.3Low156 Ų156119.9 Ų119.961%0.61261%0.611SS**SBendtrans-122.482.2175.3-58.4-81.4000106.5L195 N196 M201L195-Y199 HydrophobicContact CD2-CD2 4.3Å; L195-Y199 HydrophobicContact CD2-CE2 4.45Å; L195-Y199 WeakPolarHBondContact O-CA 3.41Å; L195-Y199 PolarHBondContact O-N 2.78Å; N196-Y199 CarbonylContact O-C 3.33Å; Y199-M201 PolarHBondContact O-N 3.37Å
200P54.1Low54Low92 Ų92128 Ų12860%0.59763%0.631SS**  trans-57.699.4161.124.1-29.7000104.7N196 M198 N202N196-P200 WeakPolarHBondContact O-CA 3.39Å; N196-P200 VanDerWaalsContact O-N 3.14Å; M198-P200 WeakPolarHBondContact O-CD 3.27Å; P200-N202 PolarHBondContact O-N 2.86Å
201M54.1Low53.4Low153 Ų153131 Ų13175%0.75465%0.653SS**  trans-47.8120.8170.8-83.2-76.8-79.300103.9Y199 Q203Y199-M201 PolarHBondContact O-N 3.37Å; M201-Q203 PolarHBondContact O-N 3.5Å
202N49.4Very low52.9Low155 Ų155132.3 Ų132.383%0.82966%0.662SS**  trans-5877.9176.6-65.9-56.7000106.9P200 E204P200-N202 PolarHBondContact O-N 2.86Å; N202-E204 PolarHBondContact O-N 3.31Å
203Q51Low52.3Low171 Ų171132.5 Ų132.580%0.79967%0.668SS**  trans-61.391.4148.8-76.1-176.34.700101M201 R205M201-Q203 PolarHBondContact O-N 3.5Å; Q203-R205 PolarHBondContact O-N 2.93Å
204E48.9Very low51.5Low129 Ų129133.2 Ų133.260%0.60367%0.672SS**  trans-41.895.5158.6-64.5177.516900104.4N202 R206N202-E204 PolarHBondContact O-N 3.31Å; E204-R206 HydrophobicContact CB-CG 3.91Å; E204-R206 PolarHBondContact O-N 3.44Å; E204-R206 IonicContact OE2-CZ 3.98Å; E204-R206 VanDerWaalsContact OE2-CZ 3.27Å; E204-R206 IonicContact OE2-NE 2.8Å; E204-R206 PolarHBondContact OE2-NE 2.7Å; E204-R206 IonicContact OE2-NH2 3.35Å; E204-R206 PolarHBondContact OE2-NH2 3.43Å
205R50.2Low50.7Low190 Ų190136.3 Ų136.372%0.71768%0.682SS**  trans-69.168.9166.7-70.8-164.3-164.8-174.34.7105.2Q203 G207 E208Q203-R205 PolarHBondContact O-N 2.93Å; R205-G207 PolarHBondContact O-N 2.89Å; R205-E208 IonicContact CZ-OE2 3.75Å; R205-E208 IonicContact NH1-OE1 3.27Å; R205-E208 IonicContact NH1-OE2 3.07Å; R205-E208 PolarHBondContact NH1-OE2 3.37Å
206R47.8Very low50.1Low212 Ų212142.6 Ų142.680%0.871%0.71SS**THydrogen-bonded Turntrans-6694.2163.4-63.2-164.4-167.4-156.83.9104.7E204E204-R206 HydrophobicContact CB-CG 3.91Å; E204-R206 PolarHBondContact O-N 3.44Å; E204-R206 IonicContact OE2-CZ 3.98Å; E204-R206 VanDerWaalsContact OE2-CZ 3.27Å; E204-R206 IonicContact OE2-NE 2.8Å; E204-R206 PolarHBondContact OE2-NE 2.7Å; E204-R206 IonicContact OE2-NH2 3.35Å; E204-R206 PolarHBondContact OE2-NH2 3.43Å
207G42.4Very low49.4Very low67 Ų67142.3 Ų142.369%0.69171%0.712SS**THydrogen-bonded Turntrans133.42.1163.800000117.4R205 E209R205-G207 PolarHBondContact O-N 2.89Å; G207-E209 PolarHBondContact O-N 3.07Å
208E51.5Low48.5Very low125 Ų125147 Ų14758%0.58472%0.717SS**  trans-84.772.2159.9-71.1-177.6-178.600107.4R205 Y210R205-E208 IonicContact CZ-OE2 3.75Å; R205-E208 IonicContact NH1-OE1 3.27Å; R205-E208 IonicContact NH1-OE2 3.07Å; R205-E208 PolarHBondContact NH1-OE2 3.37Å; E208-Y210 VanDerWaalsContact C-N 3.33Å; E208-Y210 PolarHBondContact O-N 3.12Å
209E48Very low47.8Very low184 Ų184144.7 Ų144.786%0.8672%0.723SS**  trans-48.6111.1150.9-93-179.9160.900105.3G207 A211G207-E209 PolarHBondContact O-N 3.07Å; E209-A211 VanDerWaalsContact C-N 3.29Å; E209-A211 PolarHBondContact O-N 3.46Å
210Y48.7Very low47.2Very low223 Ų223142.1 Ų142.188%0.87572%0.724SS**  trans-50.9104.2169.6-68.3-87.3000106.1E208 K212E208-Y210 VanDerWaalsContact C-N 3.33Å; E208-Y210 PolarHBondContact O-N 3.12Å; Y210-K212 VanDerWaalsContact C-N 3.33Å; Y210-K212 PolarHBondContact O-N 2.94Å
211A46.3Very low46.9Very low91 Ų91143.6 Ų143.675%0.75273%0.731SS**  trans-50.2110.3166.800000104.2E209 P213E209-A211 VanDerWaalsContact C-N 3.29Å; E209-A211 PolarHBondContact O-N 3.46Å; A211-P213 WeakPolarHBondContact O-CD 3.42Å; A211-P213 VanDerWaalsContact O-N 3.08Å
212K44.7Very low45.9Very low177 Ų177139.1 Ų139.177%0.7772%0.724SS**  trans-48.8125.8173.3-101.1177.9175177.20104.9Y210 D214Y210-K212 VanDerWaalsContact C-N 3.33Å; Y210-K212 PolarHBondContact O-N 2.94Å; K212-D214 VanDerWaalsContact C-N 3.29Å; K212-D214 PolarHBondContact O-N 3.17Å
213P47.9Very low45.5Very low93 Ų93135.2 Ų135.260%0.60471%0.713SS**  trans-62.1100.8178.417.4-22.4000106.8A211 F215A211-P213 WeakPolarHBondContact O-CD 3.42Å; A211-P213 VanDerWaalsContact O-N 3.08Å; P213-F215 VanDerWaalsContact C-N 3.32Å; P213-F215 HydrophobicContact CG-CE2 4.32Å; P213-F215 WeakPolarHBondContact O-CD2 3.36Å; P213-F215 PolarHBondContact O-N 3.45Å
214D45.4Very low44.9Very low126 Ų126134.1 Ų134.167%0.67471%0.713SS**  trans-65.3101.2169.1-75.1-22.3000105.4K212 E216 T217K212-D214 VanDerWaalsContact C-N 3.29Å; K212-D214 PolarHBondContact O-N 3.17Å; D214-E216 PolarHBondContact O-N 2.91Å; D214-T217 PolarHBondContact O-N 3.1Å; D214-T217 PolarHBondContact O-OG1 3.22Å
215F43.9Very low44.5Very low165 Ų165135.6 Ų135.672%0.72472%0.722SS**THydrogen-bonded Turntrans-60.96.6-177.1-84.5-86.8000114.1P213 F218P213-F215 VanDerWaalsContact C-N 3.32Å; P213-F215 HydrophobicContact CG-CE2 4.32Å; P213-F215 WeakPolarHBondContact O-CD2 3.36Å; P213-F215 PolarHBondContact O-N 3.45Å; F215-F218 HydrophobicContact CD1-CE2 4.18Å
216E47.8Very low44.1Very low188 Ų188137 Ų13788%0.87973%0.728SS**THydrogen-bonded Turntrans-91.6-12.2-179.4-65.8-170.816900114.2D214D214-E216 PolarHBondContact O-N 2.91Å
217T45.7Very low43.8Very low94 Ų94136.2 Ų136.258%0.57773%0.734SS**  trans-101.812.3-174.137.30000116.6D214 G219D214-T217 PolarHBondContact O-N 3.1Å; D214-T217 PolarHBondContact O-OG1 3.22Å; T217-G219 PolarHBondContact O-N 2.96Å
218F43.3Very low43.5Very low180 Ų180136.9 Ų136.979%0.78974%0.741SS**THydrogen-bonded Turntrans-64.84.7169.7-79.2-74.3000114.5F215F215-F218 HydrophobicContact CD1-CE2 4.18Å
219G37.8Very low42.7Very low68 Ų68134 Ų13470%0.70175%0.745SS**THydrogen-bonded Turntrans-87-20.4-178.100000117.5T217T217-G219 PolarHBondContact O-N 2.96Å
220T42.6Very low42.5Very low102 Ų102133.4 Ų133.463%0.62675%0.746SS**THydrogen-bonded Turntrans-140.8-7.4-164.126.20000117.9G222T220-G222 VanDerWaalsContact C-N 3.27Å; T220-G222 PolarHBondContact O-N 2.74Å
221V46.5Very low42Very low122 Ų122127.5 Ų127.574%0.73974%0.738SS**THydrogen-bonded Turntrans-77.3-13.3-175.6-165.40000113.1
222G34.3Very low41.9Very low59 Ų59133.3 Ų133.361%0.60875%0.746SS**THydrogen-bonded Turntrans-82.2-14.2177.100000115.9T220T220-G222 VanDerWaalsContact C-N 3.27Å; T220-G222 PolarHBondContact O-N 2.74Å
223A41.5Very low41.9Very low73 Ų73133.4 Ų133.460%0.60375%0.749SS**G310 helixtrans-87.6-16.4-168.700000114.9
224N38.2Very low41.4Very low149 Ų149138.4 Ų138.480%0.79776%0.762SS**G310 helixtrans-985.8-171.8-76.5-0.6000115.3Y226N224-Y226 VanDerWaalsContact C-N 3.29Å; N224-Y226 PolarHBondContact O-N 2.81Å
225M39.6Very low41Very low160 Ų160144.4 Ų144.479%0.78878%0.775SS**G310 helixtrans-857.4178.6-66.7-164.9-70.200114.6
226Y42Very low40.7Very low218 Ų218139.9 Ų139.986%0.85577%0.768SS**G310 helixtrans-114.315.2-176.9-80.9-77.9000116.4N224N224-Y226 VanDerWaalsContact C-N 3.29Å; N224-Y226 PolarHBondContact O-N 2.81Å
227E42.1Very low40.1Very low196 Ų196138.1 Ų138.192%0.91676%0.764SS**SBendtrans-115.114.1175.8-78.1-155.4159.900115.7
228G35.3Very low39.5Very low82 Ų82143.5 Ų143.585%0.84578%0.78SS**SBendtrans-104.388.317500000112.6
229G35.7Very low39.2Very low64 Ų64139.8 Ų139.866%0.6677%0.774SS**  trans171-6.4167.900000121.8
230L42.3Very low39Very low171 Ų171144.3 Ų144.390%0.89578%0.782SS**  trans-109.874.8174.9-65.6176.8000110.6K232L230-K232 PolarHBondContact O-N 2.83Å
231S39.6Very low38.6Very low99 Ų99145.7 Ų145.769%0.69279%0.791SS**  trans-45.6125.9160.152.40000109.4E233S231-E233 PolarHBondContact O-N 2.8Å
232K43.6Very low38.1Very low214 Ų214147.4 Ų147.493%0.9380%0.795SS**THydrogen-bonded Turntrans-61.815-173.2-67.7-178.4176.3178.20115.8L230L230-K232 PolarHBondContact O-N 2.83Å
233E44.5Very low38Very low178 Ų178150 Ų15083%0.83280%0.801SS**THydrogen-bonded Turntrans-98.22.3-164.5-107.3-179.8176.500116.2S231S231-E233 PolarHBondContact O-N 2.8Å
234K37.8Very low37.6Very low199 Ų199154.9 Ų154.987%0.86581%0.809SS**  trans-130.127.1-177.5-92.7-173179.1179.10116.5A236K234-A236 PolarHBondContact O-N 2.57Å; K234-A236 VanDerWaalsContact O-N 3.1Å
235R37.7Very low37.5Very low252 Ų252155.4 Ų155.495%0.95181%0.808SS**  trans-84.661.4156.7-71.7-171.2178.5-176.60.4109.6N237R235-N237 PolarHBondContact O-N 2.83Å
236A37.7Very low37.2Very low69 Ų69159.6 Ų159.657%0.5782%0.815SS**  trans-75.5118166.200000108.2K234K234-A236 PolarHBondContact O-N 2.57Å; K234-A236 VanDerWaalsContact O-N 3.1Å
237N34.6Very low37Very low152 Ų152159.9 Ų159.981%0.81382%0.817SS**  trans49.175.8142.7-55.4-24.9000116.6R235R235-N237 PolarHBondContact O-N 2.83Å
238F33.7Very low36.7Very low207 Ų207155 Ų15591%0.90880%0.804SS**  trans-97.4114.8143.9-87.7-79.6000108.3
239P36.4Very low36.9Very low102 Ų102160.3 Ų160.366%0.66281%0.807SS**  trans-75.1127.7-179.329.3-31.9000111.2T241P239-T241 PolarHBondContact O-N 3.2Å; P239-T241 VanDerWaalsContact O-N 3.16Å
240D33.2Very low37.1Very low162 Ų162163.5 Ų163.587%0.86681%0.809SS**  trans23.279.1137.7-60.5-24.6000117.1
241T34.8Very low36.6Very low131 Ų131163 Ų16380%0.80481%0.807SS**  trans-145.89415140.50000108.1P239P239-T241 PolarHBondContact O-N 3.2Å; P239-T241 VanDerWaalsContact O-N 3.16Å
242L34.6Very low36.6Very low159 Ų159164 Ų16483%0.83281%0.811SS**  trans-175.9109.6137.2-91.7-175.7000108.8F244L242-F244 PolarHBondContact O-N 3.41Å
243P32.8Very low36.3Very low113 Ų113162 Ų16273%0.73481%0.807SS**  trans-9284-178.735.6-28.8000109.2
244F34.3Very low36Very low176 Ų176159.4 Ų159.477%0.77281%0.806SS**  trans-137.8126169.5-85.9-82000111.5L242L242-F244 PolarHBondContact O-N 3.41Å
245M35.6Very low35.8Very low159 Ų159153.2 Ų153.278%0.78380%0.798SS**  trans80.386.1159.3-51.2-94.6-97.300113.5Y247M245-Y247 PolarHBondContact O-N 2.86Å
246R33.2Very low35.7Very low248 Ų248149.1 Ų149.194%0.93680%0.795SS**  trans-43.3108.3152.2-61.7-179.1-174.2-173.21108S248R246-S248 VanDerWaalsContact C-N 3.32Å; R246-S248 PolarHBondContact O-N 2.73Å
247Y37.8Very low35.6Very low225 Ų225149.9 Ų149.988%0.88280%0.801SS**  trans-65101.8160-77.1-88.4000106.2M245 E249M245-Y247 PolarHBondContact O-N 2.86Å; Y247-E249 VanDerWaalsContact C-N 3.33Å; Y247-E249 PolarHBondContact O-N 3.17Å
248S34.7Very low35.8Very low92 Ų92151.5 Ų151.564%0.64381%0.806SS**  trans-64.897.4164.2550000107.6R246 N250R246-S248 VanDerWaalsContact C-N 3.32Å; R246-S248 PolarHBondContact O-N 2.73Å; S248-N250 PolarHBondContact O-N 2.7Å
249E40.7Very low35.9Very low194 Ų194150.6 Ų150.691%0.90781%0.805SS**SBend32.530.8123-149.4165-17500119.4Y247Y247-E249 VanDerWaalsContact C-N 3.33Å; Y247-E249 PolarHBondContact O-N 3.17Å
250N38.6Very low35.8Very low131 Ų131150 Ų15070%0.70181%0.809SS**  trans-132.916.5-179.2-83.3-24.9000114.5S248 P252S248-N250 PolarHBondContact O-N 2.7Å; N250-P252 VanDerWaalsContact C-CD 3.48Å; N250-P252 WeakPolarHBondContact O-CD 3.45Å
251D33.4Very low36.2Very low161 Ų161147.7 Ų147.786%0.86180%0.802SS**  trans-108.788.6166.4-77.4-35.9000110.1
252P39.8Very low36.4Very low120 Ų120150.3 Ų150.378%0.77981%0.805SS**  trans-63138.6168.326.5-30.9000109.9N250N250-P252 VanDerWaalsContact C-CD 3.48Å; N250-P252 WeakPolarHBondContact O-CD 3.45Å
253M35.7Very low36.5Very low171 Ų171148.2 Ų148.284%0.84280%0.799SS**  trans-42.6154.5176.6-67.9-155.9-4500115G255M253-G255 PolarHBondContact O-N 2.69Å
254P38.5Very low36.9Very low124 Ų124147.9 Ų147.981%0.80580%0.797SS**  trans-67.599.6-166.827.7-34.9000111.7N256P254-N256 PolarHBondContact O-N 2.92Å
255G33.9Very low37Very low69 Ų69148.5 Ų148.571%0.71180%0.802SS**  trans-78.1107.816300000109.6M253 A257M253-G255 PolarHBondContact O-N 2.69Å; G255-A257 VanDerWaalsContact C-N 3.26Å; G255-A257 PolarHBondContact O-N 2.8Å
256N36Very low36.8Very low167 Ų167151.9 Ų151.989%0.89381%0.806SS**SBendtrans-5586.4161-75.2-12.1000110.1P254P254-N256 PolarHBondContact O-N 2.92Å
257A35.9Very low36.8Very low84 Ų84144.3 Ų144.369%0.69479%0.791SS**  trans171.779.7158.200000110.4G255G255-A257 VanDerWaalsContact C-N 3.26Å; G255-A257 PolarHBondContact O-N 2.8Å
258M38Very low37.1Very low186 Ų186139.5 Ų139.592%0.91679%0.788SS**  trans-135.7104.5152.6-74.2-67.5-95.800107.7A260M258-A260 PolarHBondContact O-N 2.94Å
259Q35.2Very low37.3Very low188 Ų188141.9 Ų141.988%0.87979%0.793SS**  trans-31.5123.9170.6-69.5154.2-500111.7
260A35.3Very low37Very low90 Ų90139.6 Ų139.674%0.74479%0.787SS**  trans-58.9141.5164.400000108.8M258M258-A260 PolarHBondContact O-N 2.94Å
261P41.1Very low36.8Very low113 Ų113141 Ų14173%0.73479%0.789SS**  trans-60.3139.9-166.2-19.530.9000112.1V263P261-V263 VanDerWaalsContact C-N 3.33Å; P261-V263 PolarHBondContact O-N 3.08Å
262H38.4Very low36.9Very low186 Ų186140.4 Ų140.486%0.86179%0.786SS**  trans-60.694169.4-147.4-35.3000108.4P264H262-P264 VanDerWaalsContact O-CD 3.31Å; H262-P264 WeakPolarHBondContact O-CD 3.44Å
263V38.4Very low36.6Very low116 Ų116140 Ų14070%0.70379%0.786SS**  trans-71.6120171.4-178.70000106.5P261 Q265P261-V263 VanDerWaalsContact C-N 3.33Å; P261-V263 PolarHBondContact O-N 3.08Å; V263-Q265 PolarHBondContact O-N 3.45Å; V263-Q265 VanDerWaalsContact O-N 3.16Å
264P41.2Very low36.7Very low105 Ų105140 Ų14068%0.68278%0.782SS**  trans-62.4119.4-178.3-19.731.7000109.9H262 R266H262-P264 VanDerWaalsContact O-CD 3.31Å; H262-P264 WeakPolarHBondContact O-CD 3.44Å; P264-R266 PolarHBondContact O-N 3.1Å
265Q34.7Very low36.8Very low189 Ų189139.9 Ų139.988%0.88378%0.781SS**  trans-6588.5162.4-73.2-167.9-16.400107.9V263 S267V263-Q265 PolarHBondContact O-N 3.45Å; V263-Q265 VanDerWaalsContact O-N 3.16Å; Q265-S267 PolarHBondContact O-N 3.38Å
266R31.7Very low36.7Very low230 Ų230140.2 Ų140.287%0.86878%0.777SS**  trans-78.3101.1158.9-92.4-172174.9-169.2-1.1106.7P264 P268P264-R266 PolarHBondContact O-N 3.1Å; R266-P268 WeakPolarHBondContact O-CD 3.45Å
267S33.5Very low36.5Very low90 Ų90141.7 Ų141.763%0.62977%0.771SS**  trans-54.9115.7157.3-56.50000108.2Q265 D269Q265-S267 PolarHBondContact O-N 3.38Å; S267-D269 PolarHBondContact O-N 2.8Å
268P44.3Very low36.9Very low124 Ų124142.9 Ų142.981%0.80577%0.772SS**  trans-88.876.2157.626.3-7.6000105.6R266 N270R266-P268 WeakPolarHBondContact O-CD 3.45Å; P268-N270 PolarHBondContact O-N 2.97Å
269D38Very low37Very low142 Ų142143.1 Ų143.176%0.75977%0.769SS**  trans-67.6126.7153.5-72.1-43.2000105.9S267S267-D269 PolarHBondContact O-N 2.8Å
270N35.5Very low37.2Very low145 Ų145139.2 Ų139.278%0.77576%0.762SS**SBendtrans72.7102.3163.4-148.529.7000113.1P268P268-N270 PolarHBondContact O-N 2.97Å
271E34.8Very low37.8Very low161 Ų161140.8 Ų140.875%0.75277%0.765SS**  -167.310370.7-78177167.800106.7
272N36.1Very low37.9Very low148 Ų148143 Ų14379%0.79177%0.769SS**  trans-14391.4148-123.18.6000107.8F274N272-F274 PolarHBondContact O-N 2.74Å
273S33Very low38.3Very low111 Ų111138.6 Ų138.678%0.77676%0.757SS**  trans-50.782.9162.2-57.10000110.3
274F37.4Very low38.3Very low173 Ų173141.9 Ų141.976%0.75977%0.765SS**  trans-132110.9153.1-83.9-77.4000107.8N272 A276N272-F274 PolarHBondContact O-N 2.74Å; F274-A276 PolarHBondContact O-N 2.93Å
275P40.1Very low38Very low121 Ų121147 Ų14779%0.78677%0.772SS**  trans-62.1110.7172.424.8-29.9000108
276A33.3Very low38Very low76 Ų76142.8 Ų142.863%0.62876%0.764SS**  trans-65.3135.9163.400000108.5F274F274-A276 PolarHBondContact O-N 2.93Å
277Y31.7Very low38.4Very low197 Ų197137.5 Ų137.577%0.77376%0.759SS**  trans84.2146.8168.8-58-84.2000118.4
278P43.5Very low38.6Very low110 Ų110137.9 Ų137.971%0.71477%0.767SS**  cis-112.5152.71.332.4-16.7000112.6S280P278-S280 PolarHBondContact O-N 2.79Å; P278-S280 VanDerWaalsContact O-N 3.08Å
279F40.7Very low38.1Very low191 Ų191140 Ų14084%0.83877%0.766SS**  trans-41.9118.4162.9-85-97.6000109.9
280S39.1Very low38.2Very low105 Ų105138.4 Ų138.473%0.73476%0.764SS**PPolyproline II helixtrans-62127.1167.1-62.20000107.6P278 L282P278-S280 PolarHBondContact O-N 2.79Å; P278-S280 VanDerWaalsContact O-N 3.08Å; S280-L282 PolarHBondContact O-N 3.2Å
281P47.5Very low38.1Very low124 Ų124139 Ų13981%0.80577%0.767SS**PPolyproline II helixtrans-56.5125.6176.620.7-29.2000108.8
282L43.5Very low37.9Very low159 Ų159136.6 Ų136.683%0.83277%0.768SS**PPolyproline II helixtrans-52.6138.6172.8-82.2152.3000109S280 Q284S280-L282 PolarHBondContact O-N 3.2Å; L282-Q284 PolarHBondContact O-N 2.78Å; L282-Q284 VanDerWaalsContact O-N 3.16Å
283P45.4Very low37.7Very low93 Ų93134.3 Ų134.360%0.60476%0.763SS**PPolyproline II helixtrans-57.4122.7-175.220-29.7000110.2Y285P283-Y285 VanDerWaalsContact C-N 3.32Å; P283-Y285 HydrophobicContact CG-CE2 4.35Å; P283-Y285 WeakPolarHBondContact O-CD2 3.46Å; P283-Y285 PolarHBondContact O-N 3.05Å
284Q39.3Very low38Very low185 Ų185136.7 Ų136.786%0.86477%0.767SS**  trans-60.198.4165.9-77.3-178.9-13.400107.5L282 S286L282-Q284 PolarHBondContact O-N 2.78Å; L282-Q284 VanDerWaalsContact O-N 3.16Å; Q284-S286 VanDerWaalsContact C-N 3.33Å; Q284-S286 PolarHBondContact O-N 2.77Å
285Y35.6Very low37.9Very low213 Ų213136.9 Ų136.984%0.83578%0.775SS**  trans-61.8102.8162.8-77.8-86.3000106.8P283P283-Y285 VanDerWaalsContact C-N 3.32Å; P283-Y285 HydrophobicContact CG-CE2 4.35Å; P283-Y285 WeakPolarHBondContact O-CD2 3.46Å; P283-Y285 PolarHBondContact O-N 3.05Å
286S33.9Very low37.5Very low101 Ų101142.6 Ų142.671%0.70678%0.781SS**  trans-62.7131.7168.3-76.50000108Q284 A288Q284-S286 VanDerWaalsContact C-N 3.33Å; Q284-S286 PolarHBondContact O-N 2.77Å; S286-A288 PolarHBondContact O-N 3.11Å
287P40.8Very low37.5Very low118 Ų118146.6 Ų146.677%0.76679%0.786SS**  trans-65.6103.2179.925.3-30.3000108.2H289P287-H289 PolarHBondContact O-N 3.13Å
288A37.8Very low37.7Very low98 Ų98144.3 Ų144.381%0.8179%0.788SS**  trans-61.7113.6165.200000106.5S286S286-A288 PolarHBondContact O-N 3.11Å
289H32.6Very low37.4Very low169 Ų169144.5 Ų144.578%0.78279%0.791SS**  trans-48.6138.2180-105-92.5000110.8P287 D291P287-H289 PolarHBondContact O-N 3.13Å; H289-D291 PolarHBondContact O-N 3.31Å
290P40.8Very low37.2Very low108 Ų108144.4 Ų144.470%0.70179%0.794SS**  trans-70.1102.917327.9-31.2000108.3S292P290-S292 PolarHBondContact O-N 3.44Å
291D33.6Very low37Very low157 Ų157147.8 Ų147.884%0.8480%0.8SS**  trans-67.985160.3-79.7-25000108H289 S293H289-D291 PolarHBondContact O-N 3.31Å; D291-S293 VanDerWaalsContact C-N 3.31Å; D291-S293 PolarHBondContact O-N 3.32Å
292S29.7Very low36.9Very low111 Ų111147.1 Ų147.178%0.77680%0.795SS**  trans-69.388.4165.153.90000108.4P290P290-S292 PolarHBondContact O-N 3.44Å
293S33.5Very low36.7Very low100 Ų100145.6 Ų145.670%0.69979%0.788SS**  trans-168.5146.5148.153.90000110.9D291D291-S293 VanDerWaalsContact C-N 3.31Å; D291-S293 PolarHBondContact O-N 3.32Å
294L38.8Very low36.6Very low161 Ų161148.1 Ų148.184%0.84380%0.795SS**  trans90.775.6172.8-45.8-177.1000115.9R296L294-R296 PolarHBondContact O-N 3.37Å
295L33.9Very low36.6Very low178 Ų178147.2 Ų147.293%0.93279%0.79SS**  -0.3109.9126.4-71.3162.4000114.6
296R33Very low36.9Very low241 Ų241142.5 Ų142.591%0.90979%0.788SS**  trans-139.299.5146-162.4171.9-176.6-168.40108.5L294L294-R296 PolarHBondContact O-N 3.37Å
297E33.3Very low37.2Very low160 Ų160143.8 Ų143.875%0.74879%0.792SS**  trans-42.5149159.4-87.7176.9131.700111.8
298N36.4Very low37.1Very low149 Ų149143 Ų14380%0.79779%0.789SS**  trans76.663.7157.5-53.1-29.3000117.4
299S37.1Very low37Very low113 Ų113144.6 Ų144.679%0.7978%0.784SS**  trans-11197.5145.653.50000108.6M301S299-M301 PolarHBondContact O-N 2.97Å
300Q35.3Very low37.5Very low190 Ų190141.2 Ų141.289%0.88878%0.779SS**  trans-40.5116.4175.1-16114710.900110.9P302Q300-P302 WeakPolarHBondContact O-CD 3.23Å
301M35.3Very low37.3Very low176 Ų176142.3 Ų142.387%0.86778%0.779SS**  trans-59.6126.3169.7-86.4-165.5159.700108S299 D303S299-M301 PolarHBondContact O-N 2.97Å; M301-D303 PolarHBondContact O-N 2.77Å
302P45.7Very low37.4Very low110 Ų110143 Ų14371%0.71478%0.777SS**  trans-63.2122.3171.324.4-29.4000107.9Q300 I304Q300-P302 WeakPolarHBondContact O-CD 3.23Å; P302-I304 WeakPolarHBondContact O-CG1 3.19Å; P302-I304 PolarHBondContact O-N 3.23Å
303D39.2Very low38Very low127 Ų127142.7 Ų142.768%0.67977%0.773SS**  trans-57.1107.8174.5-165.2-8.8000108.9M301 H305M301-D303 PolarHBondContact O-N 2.77Å; D303-H305 PolarHBondContact O-N 3.06Å; D303-H305 VanDerWaalsContact O-N 3.15Å; D303-H305 IonicContact OD1-CD2 2.81Å; D303-H305 PolarHBondContact OD1-CD2 3.23Å; D303-H305 IonicContact OD1-CG 3.62Å
304I42.3Very low38.5Very low146 Ų146143.5 Ų143.575%0.74978%0.778SS**  trans-8012.2-173.4-37.5177.1000110.7P302 S306P302-I304 WeakPolarHBondContact O-CG1 3.19Å; P302-I304 PolarHBondContact O-N 3.23Å; I304-S306 VanDerWaalsContact C-N 3.3Å; I304-S306 PolarHBondContact O-N 3.09Å; I304-S306 VanDerWaalsContact O-N 3.12Å
305H40.7Very low38.6Very low165 Ų165144.5 Ų144.576%0.76478%0.776SS**  trans-86.662.7173.9-62.7-53.4000112D303D303-H305 PolarHBondContact O-N 3.06Å; D303-H305 VanDerWaalsContact O-N 3.15Å; D303-H305 IonicContact OD1-CD2 2.81Å; D303-H305 PolarHBondContact OD1-CD2 3.23Å; D303-H305 IonicContact OD1-CG 3.62Å
306S41.1Very low39.1Very low114 Ų114146.6 Ų146.680%0.79777%0.773SS**  trans-15148.5165.6-780000111.8I304 S308I304-S306 VanDerWaalsContact C-N 3.3Å; I304-S306 PolarHBondContact O-N 3.09Å; I304-S306 VanDerWaalsContact O-N 3.12Å; S306-S308 VanDerWaalsContact C-N 3.27Å; S306-S308 PolarHBondContact O-N 3.27Å
307V39.6Very low39.4Very low128 Ų128145.7 Ų145.778%0.77677%0.769SS**  trans-87.282.4156-169.10000106.5N309V307-N309 PolarHBondContact O-N 2.69Å
308S39.8Very low39.7Very low101 Ų101145.8 Ų145.871%0.70677%0.77SS**  trans-60105.1167.2-179.80000107.5S306 S310S306-S308 VanDerWaalsContact C-N 3.27Å; S306-S308 PolarHBondContact O-N 3.27Å; S308-S310 PolarHBondContact O-N 2.77Å
309N36.5Very low40Very low132 Ų132143.3 Ų143.371%0.70676%0.764SS**  trans-77.473177.1-146.80.9000107.7V307 N311V307-N309 PolarHBondContact O-N 2.69Å; N309-N311 PolarHBondContact O-N 2.96Å; N309-N311 PolarHBondContact OD1-ND2 2.83Å
310S42.4Very low39.9Very low98 Ų98147.8 Ų147.869%0.68577%0.765SS**  trans-75.470.5179.562.90000110.3S308S308-S310 PolarHBondContact O-N 2.77Å
311N36.4Very low39.9Very low131 Ų131147.6 Ų147.670%0.70177%0.765SS**  trans-105.829.4171-82.3-33.8000112N309 P313N309-N311 PolarHBondContact O-N 2.96Å; N309-N311 PolarHBondContact OD1-ND2 2.83Å; N311-P313 WeakPolarHBondContact O-CD 3.03Å
312H36Very low40.2Very low173 Ų173144.8 Ų144.880%0.80176%0.757SS**SBendtrans-85.2114.9164.2-78.6-69.4000109.3S314H312-S314 PolarHBondContact O-N 3.17Å
313P41.6Very low39.9Very low104 Ų104145 Ų14568%0.67576%0.758SS**  trans-65109.9178.425.9-31.7000108.9N311 K315N311-P313 WeakPolarHBondContact O-CD 3.03Å; P313-K315 PolarHBondContact O-N 2.73Å
314S44.1Very low39.9Very low116 Ų116147.1 Ų147.181%0.81177%0.769SS**  trans-71.653.4177.3540000112.3H312H312-S314 PolarHBondContact O-N 3.17Å
315K41.5Very low39.6Very low183 Ų183143.2 Ų143.280%0.79677%0.765SS**  trans-94.9-2.3177.1-76.2-165.1179.5-1760114.6P313P313-K315 PolarHBondContact O-N 2.73Å
316Y43.9Very low39.4Very low221 Ų221143.4 Ų143.487%0.86777%0.771SS**  trans-11671.7173.1-55.5-75.5000109.9
317R38.5Very low39.2Very low223 Ų223146.2 Ų146.284%0.84277%0.774SS**  trans-115.556.6159.2-158.8-175.3-167.5-160.34108.1S319R317-S319 PolarHBondContact O-N 2.87Å
318E39.8Very low39.4Very low161 Ų161145.5 Ų145.575%0.75277%0.772SS**  trans-79.2100.3157.9-88.6177.2171.300106.5Y320E318-Y320 VanDerWaalsContact C-N 3.34Å; E318-Y320 PolarHBondContact O-N 2.94Å
319S42.7Very low39.2Very low98 Ų98146.3 Ų146.369%0.68578%0.777SS**  trans-55.599.6167.5-53.50000107.7R317 Q321R317-S319 PolarHBondContact O-N 2.87Å; S319-Q321 PolarHBondContact O-N 3.5Å
320Y36.5Very low39Very low206 Ų206142.9 Ų142.981%0.80877%0.773SS**  trans-60.2109.2163.5-77.5-80.9000107E318 V322E318-Y320 VanDerWaalsContact C-N 3.34Å; E318-Y320 PolarHBondContact O-N 2.94Å; Y320-V322 PolarHBondContact O-N 2.99Å
321Q35.2Very low38.8Very low187 Ų187143.8 Ų143.887%0.87478%0.777SS**  trans-69.890171.5-141.1146.411.500105.7S319 P323S319-Q321 PolarHBondContact O-N 3.5Å; Q321-P323 WeakPolarHBondContact O-CD 3.2Å
322V40.7Very low38.8Very low116 Ų116146.7 Ų146.770%0.70379%0.786SS**  trans-65.2125174.9-179.70000106.7Y320 D324Y320-V322 PolarHBondContact O-N 2.99Å; V322-D324 PolarHBondContact O-N 3.42Å; V322-D324 VanDerWaalsContact O-N 3.13Å
323P39.5Very low39Very low114 Ų114143.7 Ų143.774%0.7478%0.78SS**  trans-61.2116.5179.6-2131.9000110.7Q321 G325Q321-P323 WeakPolarHBondContact O-CD 3.2Å; P323-G325 PolarHBondContact O-N 3.34Å
324D39.1Very low38.9Very low172 Ų172144.5 Ų144.592%0.9279%0.788SS**SBendtrans-56.7105166-68.6-48.2000108.6V322V322-D324 PolarHBondContact O-N 3.42Å; V322-D324 VanDerWaalsContact O-N 3.13Å
325G36.1Very low38.5Very low64 Ų64146.7 Ų146.766%0.6679%0.786SS**  trans178.6-7.6177.800000119.7P323P323-G325 PolarHBondContact O-N 3.34Å
326L37.5Very low38.3Very low169 Ų169146.7 Ų146.789%0.88579%0.789SS**  trans-130.368.9178.9-64.1172.6000110.2P328L326-P328 WeakPolarHBondContact O-CD 3.35Å
327M36Very low37.8Very low173 Ų173146.5 Ų146.585%0.85279%0.788SS**  trans-93.888.5163.9-76.4-72-45.300109.3S329M327-S329 PolarHBondContact O-N 2.77Å
328P43.7Very low37.7Very low113 Ų113143.6 Ų143.673%0.73478%0.784SS**  trans-81.1106.5151.830.2-25.3000107.4L326 G330L326-P328 WeakPolarHBondContact O-CD 3.35Å; P328-G330 PolarHBondContact O-N 2.96Å
329S35.4Very low37.7Very low118 Ų118141.6 Ų141.683%0.82579%0.785SS**  trans-51.297.8165.652.80000111.1M327M327-S329 PolarHBondContact O-N 2.77Å
330G31.5Very low37.6Very low60 Ų60142 Ų14262%0.61979%0.788SS**  trans-107.7140.2165.500000109.2P328P328-G330 PolarHBondContact O-N 2.96Å
331P39.8Very low37.6Very low117 Ų117139.2 Ų139.276%0.7679%0.787SS**  trans-71.2136.7-154.729-34.2000112.4T333P331-T333 PolarHBondContact O-N 2.87Å
332E35.6Very low37.9Very low193 Ų193135.8 Ų135.890%0.90278%0.781SS**  trans-53.397.9165.5-59.9-178163.200109.5
333T41.3Very low37.8Very low110 Ų110139.3 Ų139.368%0.67579%0.787SS**  trans-118.891.1156.142.40000105.8P331 E335P331-T333 PolarHBondContact O-N 2.87Å; T333-E335 PolarHBondContact O-N 3.05Å
334S38.3Very low37.5Very low121 Ų121145.5 Ų145.585%0.84680%0.795SS**  trans-6557.7162.339.50000109.7Q336S334-Q336 PolarHBondContact O-N 3.41Å; S334-Q336 VanDerWaalsContact O-N 3.17Å
335E36.5Very low37.4Very low162 Ų162145.5 Ų145.576%0.75779%0.787SS**  trans-78.899.9165.1-74.5-74.2144.500106T333 Y337T333-E335 PolarHBondContact O-N 3.05Å; E335-Y337 PolarHBondContact O-N 3.28Å
336Q36.1Very low37.7Very low183 Ų183147.1 Ų147.186%0.85579%0.787SS**  trans-42.3101.7170.7-168.2169.63.100108.9S334 Q338S334-Q336 PolarHBondContact O-N 3.41Å; S334-Q336 VanDerWaalsContact O-N 3.17Å; Q336-Q338 PolarHBondContact O-N 3.1Å
337Y35.1Very low38Very low217 Ų217146.1 Ų146.185%0.85178%0.781SS**  trans-66.986.9-175.8-146.2-91.3000108.1E335 P339E335-Y337 PolarHBondContact O-N 3.28Å; Y337-P339 WeakPolarHBondContact O-CD 3.48Å
338Q35.9Very low38.2Very low161 Ų161146 Ų14675%0.75278%0.779SS**  trans-63.5126.7163.9-84-166.9-27.400106.2Q336 S340Q336-Q338 PolarHBondContact O-N 3.1Å; Q338-S340 PolarHBondContact O-N 3.48Å
339P39.7Very low37.9Very low119 Ų119147.8 Ų147.877%0.77378%0.777SS**  trans-64.187.9168.425.8-29.7000107Y337 N341Y337-P339 WeakPolarHBondContact O-CD 3.48Å; P339-N341 PolarHBondContact O-N 2.83Å
340S39.9Very low38.1Very low107 Ų107146.4 Ų146.475%0.74877%0.766SS**  trans-56.9135.7165.452.40000106.9Q338Q338-S340 PolarHBondContact O-N 3.48Å
341N36.9Very low38.5Very low148 Ų148148.4 Ų148.479%0.79177%0.77SS**  trans-33.4139.8-168.7-90.5-36.6000114.5P339 F343P339-N341 PolarHBondContact O-N 2.83Å; N341-F343 PolarHBondContact O-N 2.91Å; N341-F343 VanDerWaalsContact O-N 3.08Å
342P42.1Very low38.3Very low115 Ų115153.6 Ų153.675%0.74777%0.774SS**SBendtrans-50.3124.2171.822.5-32.1000108.7R344P342-R344 PolarHBondContact O-N 3.07Å
343F38.3Very low38.3Very low190 Ų190149.5 Ų149.583%0.83376%0.763SS**  trans-13.899.4168.5-82.7-99.5000112N341 F345N341-F343 PolarHBondContact O-N 2.91Å; N341-F343 VanDerWaalsContact O-N 3.08Å; F343-F345 HydrophobicContact CB-CD2 4.35Å; F343-F345 HydrophobicContact CB-CE2 4.45Å; F343-F345 PolarHBondContact O-N 3.23Å
344R31.9Very low37.8Very low244 Ų244149.4 Ų149.492%0.92177%0.773SS**  trans-71.679.2171-154.5-174.8-150.3-130.57.3106.1P342 P346P342-R344 PolarHBondContact O-N 3.07Å; R344-P346 WeakPolarHBondContact O-CD 3.43Å
345F37.7Very low37.7Very low171 Ų171148.3 Ų148.375%0.7576%0.761SS**  trans-54.8125.1163.5-91.2-85.1000106.3F343 L347F343-F345 HydrophobicContact CB-CD2 4.35Å; F343-F345 HydrophobicContact CB-CE2 4.45Å; F343-F345 PolarHBondContact O-N 3.23Å; F345-L347 PolarHBondContact O-N 2.81Å
346P43.1Very low37.4Very low99 Ų99147 Ų14764%0.64376%0.759SS**  trans-57.8113167-12.926.1000105.3R344 E348R344-P346 WeakPolarHBondContact O-CD 3.43Å; P346-E348 HydrophobicContact CB-CG 4.18Å; P346-E348 PolarHBondContact O-N 3.4Å
347L42.5Very low37.1Very low148 Ų148147.2 Ų147.278%0.77577%0.766SS**  trans-62.985.4154.2-95.597.6000104.7F345 Q349F345-L347 PolarHBondContact O-N 2.81Å; L347-Q349 HydrophobicContact CB-CG 4.41Å; L347-Q349 HydrophobicContact CD2-CG 4.42Å; L347-Q349 PolarHBondContact O-N 3.44Å
348E40.6Very low36.9Very low170 Ų170141.1 Ų141.179%0.79476%0.76SS**  trans-65.185.5155.9-65.2-152.9167.700104.9P346 P350P346-E348 HydrophobicContact CB-CG 4.18Å; P346-E348 PolarHBondContact O-N 3.4Å; E348-P350 VanDerWaalsContact O-CD 3.24Å; E348-P350 WeakPolarHBondContact O-CD 3.49Å
349Q38.3Very low36.5Very low151 Ų151137.3 Ų137.371%0.70676%0.764SS**  trans-61.2118.9166-70.5-164.3-24.900105.4L347 S351L347-Q349 HydrophobicContact CB-CG 4.41Å; L347-Q349 HydrophobicContact CD2-CG 4.42Å; L347-Q349 PolarHBondContact O-N 3.44Å; Q349-S351 PolarHBondContact O-N 2.9Å
350P39.8Very low35.8Very low89 Ų89134.9 Ų134.958%0.57876%0.76SS**  trans-57.3110.8175.720.2-29.4000107.5E348 W352E348-P350 VanDerWaalsContact O-CD 3.24Å; E348-P350 WeakPolarHBondContact O-CD 3.49Å; P350-W352 VanDerWaalsContact C-N 3.25Å; P350-W352 HydrophobicContact CB-CZ2 4.39Å; P350-W352 PolarHBondContact O-N 3.31Å
351S38.7Very low35.4Very low101 Ų101138.1 Ų138.171%0.70677%0.769SS**  trans-69.189173.348.60000107.2Q349 T353Q349-S351 PolarHBondContact O-N 2.9Å; S351-T353 PolarHBondContact O-N 2.95Å
352W37.1Very low34.9Very low227 Ų227135.3 Ų135.386%0.8677%0.766SS**  trans-73.870.1167.4-56.996.6000108.1P350 A354P350-W352 VanDerWaalsContact C-N 3.25Å; P350-W352 HydrophobicContact CB-CZ2 4.39Å; P350-W352 PolarHBondContact O-N 3.31Å; W352-A354 VanDerWaalsContact C-N 3.31Å; W352-A354 PolarHBondContact O-N 3.46Å
353T35.4Very low34.6Very low107 Ų107135.4 Ų135.466%0.65677%0.767SS**  trans-71.295.9164.446.50000106.9S351 T355S351-T353 PolarHBondContact O-N 2.95Å; T353-T355 VanDerWaalsContact C-N 3.25Å; T353-T355 PolarHBondContact O-N 3.25Å; T353-T355 PolarHBondContact O-OG1 3.2Å; T353-T355 VanDerWaalsContact O-OG1 3.09Å
354A30.2Very low34.4Very low107 Ų107131.3 Ų131.388%0.88476%0.762SS**  trans-6090.2167.900000108.4W352W352-A354 VanDerWaalsContact C-N 3.31Å; W352-A354 PolarHBondContact O-N 3.46Å
355T35.7Very low34.3Very low99 Ų99126.7 Ų126.761%0.60776%0.756SS**  trans-126.7104.9-179.4-27.30000107.3T353T353-T355 VanDerWaalsContact C-N 3.25Å; T353-T355 PolarHBondContact O-N 3.25Å; T353-T355 PolarHBondContact O-OG1 3.2Å; T353-T355 VanDerWaalsContact O-OG1 3.09Å
356D31.1Very low34.2Very low133 Ų133125.2 Ų125.271%0.71176%0.755SS**  trans67.591145.1-55.7-21.2000118.3A358D356-A358 PolarHBondContact O-N 3.05Å
357L29.8Very low33.6Very low189 Ų189126.7 Ų126.799%0.9976%0.758SS**  -10.487.7121.9-74.2143.2000114.1
358A31Very low33Very low89 Ų89126.1 Ų126.174%0.73676%0.756SS**  trans-152112.3165.700000111.6D356D356-A358 PolarHBondContact O-N 3.05Å
359G27.1Very low32.6Very low80 Ų80129.4 Ų129.483%0.82576%0.763SS**  trans68.7114.3157.500000115.5
360G25Very low32Very low68 Ų68133 Ų13370%0.70177%0.77SS**  75.786.755.300000110.5
361N30.5Very low31.7Very low175 Ų175133.8 Ų133.894%0.93678%0.777SS**  176.8152124.3-88.7-27.3000112
362A28.2Very low31.4Very low89 Ų89136.7 Ų136.774%0.73678%0.78SS**  trans-54158.9-163.800000117.9
363P35.6Very low31.1Very low117 Ų117132 Ų13276%0.7678%0.776SS**  trans-69.9133.6179.729.5-34.7000112.1
364S33.7Very low31Very low104 Ų104136.3 Ų136.373%0.72779%0.786SS**  trans-93.2103.4173.3-155.50000108.8D366S364-D366 PolarHBondContact O-N 3.15Å
365D29.9Very low30.7Very low148 Ų148141.3 Ų141.379%0.79178%0.782SS**  trans-77.885.2167.5-73.9-43.5000109.3
366D36.2Very low30.3Very low139 Ų139141 Ų14174%0.74378%0.784SS**  trans-121.997.3169.7-86.5-40.3000112.1S364S364-D366 PolarHBondContact O-N 3.15Å
367N29.7Very low30.4Very low131 Ų131143 Ų14370%0.70179%0.789SS**  trans-10.6142152.2-68-66.8000119.9
368N29.4Very low30.3Very low135 Ų135138.3 Ų138.372%0.72278%0.778SS**  trans64.480.9137.7-77.5-37.7000119.2
369Y32.2Very low30.3Very low240 Ų240141 Ų14194%0.94178%0.78SS**  trans-98.476.2143-80.1-84.2000110.6
370R25.9Very low30.3Very low227 Ų227144.7 Ų144.786%0.85778%0.781SS**  trans-9090.2160.6-177-175.8-174.6-169.92.7107.5
371S32.7Very low30.5Very low104 Ų104149.5 Ų149.573%0.72779%0.785SS**  trans-178.299162.1-79.80000108.5
372Q34.1Very low30.2Very low163 Ų163145.8 Ų145.876%0.76278%0.778SS**  trans-164.479.7137.5-78.8-126.17.500107.2F374Q372-F374 PolarHBondContact O-N 3.12Å; Q372-F374 VanDerWaalsContact O-N 3.14Å
373T29.7Very low30.4Very low129 Ų129147.2 Ų147.279%0.79178%0.78SS**  trans-49104.1151.624.70000109.7
374F33.5Very low30.1Very low196 Ų196144.9 Ų144.986%0.8677%0.771SS**  trans-82.2111.4148.7-87-85.7000107.3Q372Q372-F374 PolarHBondContact O-N 3.12Å; Q372-F374 VanDerWaalsContact O-N 3.14Å
375R24.6Very low30.2Very low212 Ų212145.2 Ų145.280%0.877%0.77SS**  trans-109.4146.9179.9-144.8-178.6-170-147.22.5105.4
376S25.9Very low30.4Very low93 Ų93147 Ų14765%0.6577%0.772SS**  trans77137.6161-34.20000113.7
377E34Very low30.3Very low174 Ų174148.8 Ų148.881%0.81377%0.773SS**  cis-155128.819.6-94.2132.4-156.500106.3
378A27.9Very low30.5Very low91 Ų91150.6 Ų150.675%0.75278%0.783SS**  498596.400000114.7
379N31.6Very low30.9Very low147 Ų147148.3 Ų148.379%0.78678%0.778SS**  trans-126.579.2150-157.6-6.7000109Q381N379-Q381 PolarHBondContact O-N 3.27Å
380D25.6Very low30.6Very low157 Ų157142.8 Ų142.884%0.8476%0.764SS**  trans-7689.4163.6-76.5-49.4000108.9
381Q29.2Very low31.1Very low168 Ų168138.1 Ų138.179%0.78576%0.763SS**  trans-14797.5156.8-74.4-161.1-11.600110.7N379N379-Q381 PolarHBondContact O-N 3.27Å
382A24.6Very low31.1Very low97 Ų97138.3 Ų138.380%0.80276%0.76SS**  trans32.8156.5133.100000121.7
383P32.7Very low31Very low119 Ų119134.7 Ų134.777%0.77375%0.753SS**  cis-126.6170.7-29.133-14.6000112.3
384A30.2Very low31.5Very low69 Ų69138.1 Ų138.157%0.5776%0.76SS**  trans-45.7129.5177.300000114F386A384-F386 HydrophobicContact CB-CD2 4.41Å; A384-F386 HydrophobicContact CB-CE2 4.35Å; A384-F386 PolarHBondContact O-N 3.01Å
385P35.5Very low31.7Very low110 Ų110136.9 Ų136.971%0.71476%0.757SS**  trans-71.995.1166.328.7-29.5000108.5F387P385-F387 HydrophobicContact CB-CD2 4.09Å; P385-F387 PolarHBondContact O-N 3.49Å
386F32.5Very low32.3Very low186 Ų186132.2 Ų132.282%0.81676%0.757SS**  trans-71.771.9159.7-78.6-85.8000108.9A384 N388A384-F386 HydrophobicContact CB-CD2 4.41Å; A384-F386 HydrophobicContact CB-CE2 4.35Å; A384-F386 PolarHBondContact O-N 3.01Å; F386-N388 PolarHBondContact O-N 2.89Å
387F35.9Very low32.7Very low176 Ų176131.7 Ų131.777%0.77276%0.758SS**  trans-9781.7160.7-77-69.6000108.7P385 S389P385-F387 HydrophobicContact CB-CD2 4.09Å; P385-F387 PolarHBondContact O-N 3.49Å; F387-S389 PolarHBondContact O-N 3.46Å
388N32.3Very low32.8Very low169 Ų169131.6 Ų131.690%0.90476%0.763SS**  trans-67.383150.2-97.7-14.9000107.3F386F386-N388 PolarHBondContact O-N 2.89Å
389S37.6Very low33.2Very low88 Ų88131.2 Ų131.262%0.61576%0.76SS**  trans-126.190.116850.30000108.1F387F387-S389 PolarHBondContact O-N 3.46Å
390N27.6Very low33.5Very low123 Ų123132 Ų13266%0.65876%0.764SS**  trans26.599.9150.4-152.79.1000116.4T392N390-T392 PolarHBondContact O-N 3.45Å
391P34.8Very low34.1Very low129 Ų129129.4 Ų129.484%0.83876%0.758SS**SBendtrans-74.478.617332.4-33.3000109.7
392T34.1Very low34.6Very low109 Ų109126.8 Ų126.867%0.66976%0.755SS**  trans-131.727.5169.346.30000112N390N390-T392 PolarHBondContact O-N 3.45Å
393S30.9Very low35.4Very low87 Ų87130.3 Ų130.361%0.60876%0.759SS**  trans-102.4109.516760.10000110E395S393-E395 PolarHBondContact O-N 3.16Å
394E40.3Very low35.7Very low201 Ų201130.1 Ų130.194%0.93976%0.756SS**  trans-70.332.2167.3-64.2-176.1151.100112S396E394-S396 PolarHBondContact O-N 3.33Å
395E39Very low36.1Very low170 Ų170134.6 Ų134.679%0.79477%0.77SS**THydrogen-bonded Turntrans-101.841.8-165.8-154.9-179.6179.700112.8S393S393-E395 PolarHBondContact O-N 3.16Å
396S35.6Very low36.5Very low114 Ų114137.7 Ų137.780%0.79778%0.775SS**THydrogen-bonded Turntrans-120.15.9179.7-45.90000114.9E394E394-S396 PolarHBondContact O-N 3.33Å
397A35Very low36.7Very low81 Ų81134.7 Ų134.767%0.66977%0.771SS**SBendtrans-96.5-8.6-172.600000115.7A399A397-A399 PolarHBondContact O-N 3.04Å
398D35.8Very low36.6Very low172 Ų172137.5 Ų137.592%0.9278%0.777SS**THydrogen-bonded Turntrans-91.616.2-170.8-81.1-21.2000115.8
399A36.7Very low36.9Very low84 Ų84136.9 Ų136.969%0.69477%0.772SS**THydrogen-bonded Turntrans-94.41.9179.400000115.2A397 S401A397-A399 PolarHBondContact O-N 3.04Å; A399-S401 VanDerWaalsContact C-N 3.35Å; A399-S401 PolarHBondContact O-N 2.84Å; A399-S401 VanDerWaalsContact O-N 3.1Å
400L38.7Very low36.7Very low164 Ų164137 Ų13786%0.85978%0.779SS**  trans-87.278.9175.3-65.7179.5000110.3P402L400-P402 WeakPolarHBondContact O-CD 3.16Å
401S37.1Very low37.2Very low102 Ų102138.4 Ų138.471%0.71379%0.786SS**  trans-58.1119.7169.2-360000109.3A399 L403A399-S401 VanDerWaalsContact C-N 3.35Å; A399-S401 PolarHBondContact O-N 2.84Å; A399-S401 VanDerWaalsContact O-N 3.1Å; S401-L403 PolarHBondContact O-N 3.05Å; S401-L403 VanDerWaalsContact O-N 3.17Å
402P38.8Very low37.1Very low112 Ų112137.2 Ų137.273%0.72778%0.782SS**  trans-65119.4-179.722.1-29.7000110.2L400 T404L400-P402 WeakPolarHBondContact O-CD 3.16Å; P402-T404 VanDerWaalsContact C-N 3.32Å; P402-T404 PolarHBondContact O-N 2.88Å
403L43.2Very low37.2Very low171 Ų171137.5 Ų137.590%0.89578%0.783SS**  trans-61.291.8170.4-73.1161.6000108.7S401 L405S401-L403 PolarHBondContact O-N 3.05Å; S401-L403 VanDerWaalsContact O-N 3.17Å; L403-L405 PolarHBondContact O-N 3.02Å
404T39.2Very low37.3Very low115 Ų115140.9 Ų140.971%0.70679%0.793SS**  trans-74.9107.3176.538.70000109.3P402 Q406P402-T404 VanDerWaalsContact C-N 3.32Å; P402-T404 PolarHBondContact O-N 2.88Å; T404-Q406 PolarHBondContact O-N 2.81Å; T404-Q406 VanDerWaalsContact O-N 3.1Å
405L38.5Very low37Very low163 Ų163139.1 Ų139.185%0.85378%0.784SS**  trans-7199.8172.7-66.6171.7000109.2L403 V407L403-L405 PolarHBondContact O-N 3.02Å; L405-V407 PolarHBondContact O-N 3.04Å
406Q42.6Very low36.7Very low176 Ų176138.6 Ų138.682%0.82279%0.787SS**  trans-73.2103.1172.8-72.4-176.410.500110.2T404 R408T404-Q406 PolarHBondContact O-N 2.81Å; T404-Q406 VanDerWaalsContact O-N 3.1Å; Q406-R408 PolarHBondContact O-N 3.32Å
407V36Very low36.7Very low122 Ų122141.1 Ų141.174%0.73979%0.791SS**  trans-81.4105.2170.7-176.60000108.3L405 L409L405-V407 PolarHBondContact O-N 3.04Å; V407-L409 PolarHBondContact O-N 3.03Å; V407-L409 VanDerWaalsContact O-N 3.16Å
408R34.6Very low36.6Very low235 Ų235142.4 Ų142.489%0.88780%0.795SS**  trans-71.1104.1170.5-87.8-179.2176.9178.3-1109.4Q406 A410Q406-R408 PolarHBondContact O-N 3.32Å; R408-A410 PolarHBondContact O-N 3.13Å; R408-A410 VanDerWaalsContact O-N 3.11Å
409L38.9Very low36.8Very low156 Ų156140.2 Ų140.282%0.81779%0.79SS**  trans-71.896.3162-70161.5000107.3V407 N411V407-L409 PolarHBondContact O-N 3.03Å; V407-L409 VanDerWaalsContact O-N 3.16Å; L409-N411 PolarHBondContact O-N 3.07Å; L409-N411 VanDerWaalsContact O-N 3.12Å
410A34.3Very low36.7Very low92 Ų92140.3 Ų140.376%0.7679%0.791SS**  trans-66.2109.7170.200000108.1R408 S412R408-A410 PolarHBondContact O-N 3.13Å; R408-A410 VanDerWaalsContact O-N 3.11Å; A410-S412 VanDerWaalsContact C-N 3.28Å; A410-S412 PolarHBondContact O-N 2.93Å
411N37.5Very low36.5Very low151 Ų151140.6 Ų140.681%0.80779%0.792SS**  trans-63.894.5163.4-79.6-25.7000107.2L409 T413L409-N411 PolarHBondContact O-N 3.07Å; L409-N411 VanDerWaalsContact O-N 3.12Å; N411-T413 PolarHBondContact O-N 2.92Å
412S31.5Very low36.3Very low105 Ų105138.8 Ų138.873%0.73479%0.789SS**  trans-72.885.7165.863.20000107.4A410 I414A410-S412 VanDerWaalsContact C-N 3.28Å; A410-S412 PolarHBondContact O-N 2.93Å; S412-I414 PolarHBondContact O-N 3.27Å; S412-I414 VanDerWaalsContact O-N 3.07Å
413T37Very low36.1Very low115 Ų115139.5 Ų139.571%0.70680%0.797SS**  trans-55.3110.4157.635.70000107N411 E415N411-T413 PolarHBondContact O-N 2.92Å; T413-E415 PolarHBondContact O-N 2.95Å
414I33.8Very low35.8Very low157 Ų157139.6 Ų139.681%0.80579%0.79SS**  trans-63.494167.7-70.3167.6000105.5S412 N416S412-I414 PolarHBondContact O-N 3.27Å; S412-I414 VanDerWaalsContact O-N 3.07Å; I414-N416 PolarHBondContact O-N 2.99Å
415E33.5Very low35.7Very low164 Ų164138.8 Ų138.877%0.76679%0.789SS**  trans-63.6122166.6-76.9-175.8157.300107.6T413 L417T413-E415 PolarHBondContact O-N 2.95Å; E415-L417 VanDerWaalsContact C-N 3.33Å; E415-L417 PolarHBondContact O-N 3.42Å
416N31.5Very low35.8Very low159 Ų159138.8 Ų138.885%0.8578%0.782SS**  trans-49.193.2170.3-80.7-66.5000110.3I414 S418I414-N416 PolarHBondContact O-N 2.99Å; N416-S418 VanDerWaalsContact C-N 3.26Å; N416-S418 PolarHBondContact O-N 2.93Å
417L36Very low35.6Very low168 Ų168137.7 Ų137.788%0.8878%0.782SS**  trans-71.893.4163.6-75.4169.5000107.4E415 P419E415-L417 VanDerWaalsContact C-N 3.33Å; E415-L417 PolarHBondContact O-N 3.42Å; L417-P419 VanDerWaalsContact O-CD 3.3Å; L417-P419 WeakPolarHBondContact O-CD 3.31Å
418S33.1Very low35.6Very low108 Ų108138.2 Ų138.276%0.75578%0.78SS**  trans-42.3110.9171.1-163.80000111.5N416 A420N416-S418 VanDerWaalsContact C-N 3.26Å; N416-S418 PolarHBondContact O-N 2.93Å; S418-A420 PolarHBondContact O-N 3.02Å; S418-A420 VanDerWaalsContact O-N 3.09Å
419P39.6Very low35.8Very low125 Ų125136.5 Ų136.581%0.81278%0.783SS**  trans-7993.3170.53.713.5000107.8L417 I421L417-P419 VanDerWaalsContact O-CD 3.3Å; L417-P419 WeakPolarHBondContact O-CD 3.31Å; P419-I421 PolarHBondContact O-N 2.92Å
420A34.6Very low35.9Very low87 Ų87132 Ų13272%0.71977%0.768SS**  trans-68.396.5162.300000108.3S418S418-A420 PolarHBondContact O-N 3.02Å; S418-A420 VanDerWaalsContact O-N 3.09Å
421I35.9Very low36.1Very low170 Ų170135.4 Ų135.487%0.87277%0.773SS**  trans-172.1121.3152.9-89.5137.3000108.3P419P419-I421 PolarHBondContact O-N 2.92Å
422G32.4Very low36.4Very low64 Ų64137.1 Ų137.166%0.6678%0.776SS**  trans81.782.3145.200000116.4K424G422-K424 PolarHBondContact O-N 2.93Å
423S34.1Very low36.8Very low126 Ų126139.6 Ų139.688%0.88178%0.776SS**  trans-36.5101.5153.4540000112.9
424K37.6Very low36.9Very low174 Ų174142.6 Ų142.676%0.75778%0.78SS**  trans-12394.6152.8-87.4-179.6175.7174.80106.5G422 F426G422-K424 PolarHBondContact O-N 2.93Å; K424-F426 HydrophobicContact CB-CD2 4.01Å; K424-F426 HydrophobicContact CB-CE2 3.9Å; K424-F426 HydrophobicContact CD-CE2 4.04Å; K424-F426 HydrophobicContact CG-CE2 4.42Å; K424-F426 PolarHBondContact O-N 2.89Å
425S36.3Very low37.2Very low97 Ų97143.9 Ų143.968%0.67878%0.783SS**  trans-52.3105.4159.8156.60000106.7
426F40.5Very low37.7Very low164 Ų164144.5 Ų144.572%0.71978%0.783SS**  trans-114.991.2156.8-78.3-76.2000104.3K424 N428K424-F426 HydrophobicContact CB-CD2 4.01Å; K424-F426 HydrophobicContact CB-CE2 3.9Å; K424-F426 HydrophobicContact CD-CE2 4.04Å; K424-F426 HydrophobicContact CG-CE2 4.42Å; K424-F426 PolarHBondContact O-N 2.89Å; F426-N428 PolarHBondContact O-N 2.83Å
427D38.2Very low38.2Very low153 Ų153145.2 Ų145.282%0.81878%0.778SS**  trans-64.389.8157.7-65.6-40.5000105.8
428N37.1Very low38.4Very low132 Ų132145.5 Ų145.571%0.70678%0.775SS**  trans-121.194.5170.7-128.812000107.4F426 A430F426-N428 PolarHBondContact O-N 2.83Å; N428-A430 PolarHBondContact O-N 2.7Å
429E38.6Very low38.8Very low200 Ų200148.8 Ų148.894%0.93578%0.776SS**  trans-63.640.9177.9-149.3167.3-15200112.3
430A40.6Very low39Very low61 Ų61147.9 Ų147.950%0.50477%0.768SS.*  trans-103.36.6-17100000114.4N428 E432N428-A430 PolarHBondContact O-N 2.7Å; A430-E432 VanDerWaalsContact C-N 3.31Å; A430-E432 PolarHBondContact O-N 2.99Å
431D37.8Very low39.4Very low163 Ų163150.9 Ų150.987%0.87277%0.771SS**THydrogen-bonded Turntrans-83.92-178.1-70.7-18.9000114
432E44Very low39.7Very low187 Ų187146.6 Ų146.687%0.87476%0.757SS**THydrogen-bonded Turntrans-92.6-2.5-179.2-78.8-158.4173.200116.5A430A430-E432 VanDerWaalsContact C-N 3.31Å; A430-E432 PolarHBondContact O-N 2.99Å
433E40.6Very low40.3Very low158 Ų158151 Ų15174%0.73876%0.76SS**SBendtrans-98.6-14-174.1-154.8167.8-169.700116
434F39.1Very low40.7Very low178 Ų178152.6 Ų152.678%0.78175%0.754SS**G310 helixtrans-91.8-8-174.1-76.8-77.8000116.3K436F434-K436 PolarHBondContact O-N 3.16Å
435E40.4Very low40.7Very low184 Ų184147.2 Ų147.286%0.8675%0.747SS**G310 helixtrans-76.9-5.3175.4-124.6175.7-16200113.7
436K42.7Very low41.2Very low177 Ų177150.4 Ų150.477%0.7775%0.749SS**G310 helixtrans-94.1-2.8-177-87.6177.7-178.8164.20116.2F434F434-K436 PolarHBondContact O-N 3.16Å
437K43.2Very low41.5Very low173 Ų173150.7 Ų150.775%0.75275%0.75SS**SBendtrans-101.5-6.7-178.2-69.5-161178179.30116.4
438E40.8Very low41.8Very low174 Ų174150.7 Ų150.781%0.81375%0.75SS**THydrogen-bonded Turntrans-84.8-11177.3-162.8169.6-174.300113.8
439K40.2Very low42.1Very low178 Ų178153.5 Ų153.577%0.77476%0.755SS**THydrogen-bonded Turntrans-88.2-1.8-178-79.1-174.3178.9-179.30116.2
440V44Very low42.5Very low105 Ų105152.7 Ų152.764%0.63675%0.749SS**SBendtrans-93.2-25-173.9179.40000112.9S442V440-S442 PolarHBondContact O-N 3.17Å
441D42.3Very low42.8Very low150 Ų150158 Ų15880%0.80277%0.765SS**THydrogen-bonded Turntrans-85.2-6.3-177.4-74-16.5000114.2
442S43.8Very low43Very low80 Ų80159.8 Ų159.856%0.55977%0.765SS**THydrogen-bonded Turntrans-80.6-15.6177.3-38.70000113.9V440V440-S442 PolarHBondContact O-N 3.17Å
443E43.3Very low42.9Very low156 Ų156158.7 Ų158.773%0.72976%0.76SS**SBendtrans-97-18.5-167.7-151.6160.4-162.900114.3
444E44Very low42.9Very low161 Ų161158.4 Ų158.475%0.75276%0.764SS**SBendtrans-82.1-21.4174-74.1-160.2148.700113.8F446 K447E444-F446 PolarHBondContact O-N 3.4Å; E444-K447 PolarHBondContact O-N 2.84Å
445G37.5Very low43Very low60 Ų60155.5 Ų155.562%0.61976%0.76SS**THydrogen-bonded Turntrans-64.5-21178.700000115
446F46.7Very low42.9Very low165 Ų165153.8 Ų153.872%0.72476%0.757SS**THydrogen-bonded Turntrans-92.2-9.6-177.2-74.5-78.8000115E444E444-F446 PolarHBondContact O-N 3.4Å
447K45.5Very low42.7Very low169 Ų169152.8 Ų152.874%0.73576%0.759SS**THydrogen-bonded Turntrans-80.3-23.9179-81.5-179.5-179.2170.70113.9E444 K449E444-K447 PolarHBondContact O-N 2.84Å; K447-K449 VanDerWaalsContact C-N 3.35Å; K447-K449 PolarHBondContact O-N 3.08Å
448L45.1Very low42.7Very low154 Ų154150.3 Ų150.381%0.80676%0.761SS**THydrogen-bonded Turntrans-78.9-14.1-178.4-80.5159.8000114.4
449K43.9Very low42.6Very low191 Ų191151.5 Ų151.583%0.8376%0.764SS**THydrogen-bonded Turntrans-87.8-13.1-179.2-147.7168.8-177.2176.60114.2K447K447-K449 VanDerWaalsContact C-N 3.35Å; K447-K449 PolarHBondContact O-N 3.08Å
450K47.2Very low42.5Very low182 Ų182151.6 Ų151.679%0.79177%0.767SS**SBendtrans-92.9-2.8-179.3-75.5-169.2177.1-177.80115.5
451M46.3Very low42.4Very low174 Ų174155.3 Ų155.386%0.85778%0.777SS**SBendtrans-94.93.8-179.1-81.4-172.6164.900115.1
452K42.8Very low42Very low200 Ų200154.1 Ų154.187%0.8778%0.775SS**SBendtrans-109.14.2-171.9-123.9176.1-180179.80117.1
453E41.4Very low41.9Very low164 Ų164159.7 Ų159.777%0.76679%0.79SS**SBendtrans-119.2-7-174.2-158.6169.7-179.800115.8T455E453-T455 PolarHBondContact O-N 3.16Å
454N40Very low41.6Very low152 Ų152155.7 Ų155.781%0.81379%0.791SS**  trans-93.928-173.1-68.2-2.6000115.2
455T40.6Very low41.3Very low116 Ų116157.5 Ų157.571%0.71280%0.802SS**  trans-113.851.9176.9-30.10000111.6E453E453-T455 PolarHBondContact O-N 3.16Å
456N39.4Very low41.1Very low148 Ų148158.4 Ų158.479%0.79180%0.803SS**  trans-118.491.2158.3-76.1-61.9000107.3P458N456-P458 VanDerWaalsContact O-CD 3.23Å; N456-P458 WeakPolarHBondContact O-CD 3.17Å
457L38.5Very low40.7Very low156 Ų156159.5 Ų159.582%0.81781%0.813SS**PPolyproline II helixtrans-58.6117.9169.2-78.3120.6000109.2K459L457-K459 PolarHBondContact O-N 2.99Å
458P43.9Very low40.4Very low121 Ų121160.7 Ų160.779%0.78684%0.842SS**PPolyproline II helixtrans-70.9124162.128.1-29.3000108.4N456 E460N456-P458 VanDerWaalsContact O-CD 3.23Å; N456-P458 WeakPolarHBondContact O-CD 3.17Å; P458-E460 PolarHBondContact O-N 3.49Å
459K38.2Very low40.1Very low200 Ų200161.1 Ų161.187%0.8784%0.844SS**PPolyproline II helixtrans-59.8123.5171.6-72.5172.1177173.50109.1L457 E461L457-K459 PolarHBondContact O-N 2.99Å; K459-E461 PolarHBondContact O-N 3.3Å
460E38.4Very low39.9Very low179 Ų179159.5 Ų159.584%0.83685%0.845SS**  trans-6.3100.1156.8-62.6173.2161.500115.6P458P458-E460 PolarHBondContact O-N 3.49Å
461E40.4Very low39.5Very low184 Ų184158.2 Ų158.286%0.8685%0.848SS**  trans-90.689.8152.9-77.1-172.9166.600107.9K459 F463K459-E461 PolarHBondContact O-N 3.3Å; E461-F463 PolarHBondContact O-N 2.87Å
462T35.6Very low39.1Very low124 Ų124157.3 Ų157.376%0.76185%0.847SS**  trans-93.879.3168.3-500000107.9
463F41.2Very low38.9Very low198 Ų198154.6 Ų154.687%0.86885%0.846SS**  trans-106.4110.2166.7-86.4-78.9000110.1E461 M465E461-F463 PolarHBondContact O-N 2.87Å; F463-M465 PolarHBondContact O-N 2.81Å
464G36.3Very low38.7Very low72 Ų72154 Ų15474%0.74285%0.851SS**  trans-5.7109.2169.400000117.3A466G464-A466 PolarHBondContact O-N 3.33Å
465M37.3Very low38.6Very low199 Ų199154.1 Ų154.198%0.9885%0.854SS**  trans-64.2103159-145.8136.8110.900108F463F463-M465 PolarHBondContact O-N 2.81Å
466A34.5Very low38.5Very low78 Ų78157.1 Ų157.165%0.64587%0.865SS**  trans-73.3152.416600000109.8G464G464-A466 PolarHBondContact O-N 3.33Å
467M38.3Very low38.4Very low188 Ų188157.8 Ų157.893%0.92687%0.871SS**  trans82.289.9163.2-44.6-64.6-109.700116.6
468S38.2Very low38.4Very low195 Ų195158 Ų158100%1.36488%0.876SS**  -134.70129.9-176.90000110

Retrieved 468 of 468 residues in 72.1 ms (Link to these results)