A0A059T9W4_HUMAN Loading...

Atypical chemokine receptor 1

Atypical chemokine receptor that controls chemokine levels and localization via high-affinity chemokine binding that is uncoupled from classic ligand-driven signal transduction cascades, resulting instead in chemokine sequestration, degradation, or transcytosis. Also known as interceptor (internalizing receptor) or chemokine-scavenging receptor or chemokine decoy receptor. Has a promiscuous chemokine-binding profile, interacting with inflammatory chemokines of both the CXC and the CC subfamilies but not with homeostatic chemokines. Acts as a receptor for chemokines including CCL2, CCL5, CCL7, CCL11, CCL13, CCL14, CCL17, CXCL5, CXCL6, IL8/CXCL8, CXCL11, GRO, RANTES, MCP-1 and TARC. May regulate chemokine bioavailability and, consequently, leukocyte recruitment through two distinct mechanisms: when expressed in endothelial cells, it sustains the abluminal to luminal transcytosis of tissue-derived chemokines and their subsequent presentation to circulating leukocytes; when expressed in erythrocytes, serves as blood reservoir of cognate chemokines but also as a chemokine sink, buffering potential surges in plasma chemokine levels.

AlphaFold DB , UniProt , Accession A0A059T9W4, Species HUMAN (Homo sapiens, Human), Gene DARC, Length 118 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.7Very low42.5Very low252 Ų252141.5 Ų141.5100%1.24183%0.828SS**  0112.70-87.7152.9167.400107.3
2A36.5Very low43.1Very low104 Ų104142.3 Ų142.386%0.8682%0.824SS**  trans-81.8130.4-166.300000111.3
3S40.5Very low42.6Very low131 Ų131138.6 Ų138.692%0.91681%0.812SS**  trans-97.696.2161.9-169.50000106.6
4S44.6Very low43.3Very low99 Ų99136.9 Ų136.969%0.69281%0.807SS**  trans-100.3109.5177.7-169.40000107.8Y6S4-Y6 PolarHBondContact O-N 3.27Å
5G51.7Low42.8Very low76 Ų76135.2 Ų135.278%0.78481%0.805SS**  trans-57.9135170.500000110.2
6Y46.8Very low43.5Very low205 Ų205135 Ų13580%0.80481%0.805SS**  trans-119.7125.2167.955.1-89.7000109.3S4S4-Y6 PolarHBondContact O-N 3.27Å
7V40.8Very low43.2Very low128 Ų128137.6 Ų137.678%0.77681%0.808SS**  trans-64.5126.8172.9175.30000107.9Q9V7-Q9 PolarHBondContact O-N 3.5Å
8L49.3Very low43.1Very low158 Ų158138.3 Ų138.383%0.82781%0.807SS**  trans-74.697.7166-70177.6000108.1A10L8-A10 PolarHBondContact O-N 2.78Å
9Q39.4Very low43.4Very low169 Ų169137.2 Ų137.279%0.7981%0.808SS**  trans-62.2114.6165.7-96.6170.1-16.900109.1V7 E11V7-Q9 PolarHBondContact O-N 3.5Å; Q9-E11 PolarHBondContact O-N 2.93Å
10A44Very low43.9Very low88 Ų88135 Ų13573%0.72780%0.8SS**  trans-79.993.3155.400000107.3L8 L12L8-A10 PolarHBondContact O-N 2.78Å; A10-L12 HydrophobicContact CB-CD1 4.34Å; A10-L12 PolarHBondContact O-N 3.2Å
11E38.3Very low44.5Very low147 Ų147137.2 Ų137.269%0.68780%0.802SS**  trans-75.692.8165.7-107-78.8107.500107.7Q9 S13Q9-E11 PolarHBondContact O-N 2.93Å; E11-S13 PolarHBondContact O-N 3.49Å; E11-S13 PolarHBondContact OE2-OG 3.14Å
12L49.6Very low45.5Very low150 Ų150131.4 Ų131.479%0.78578%0.775SS**  trans-80.298157.2-81.795.5000107.1A10 P14A10-L12 HydrophobicContact CB-CD1 4.34Å; A10-L12 PolarHBondContact O-N 3.2Å; L12-P14 WeakPolarHBondContact O-CD 3.26Å
13S36.2Very low46.5Very low95 Ų95130.2 Ų130.266%0.66476%0.755SS**  trans-77.5120.6165.2-85.50000109.5E11E11-S13 PolarHBondContact O-N 3.49Å; E11-S13 PolarHBondContact OE2-OG 3.14Å
14P53.3Low47.3Very low114 Ų114132.5 Ų132.574%0.7475%0.749SS**  trans-9598.3174.733.8-23.1000109L12 T16L12-P14 WeakPolarHBondContact O-CD 3.26Å; P14-T16 PolarHBondContact O-N 3Å; P14-T16 VanDerWaalsContact O-N 3.15Å
15S35.6Very low48Very low112 Ų112134 Ų13478%0.78375%0.745SS**  trans-79.199.4168.255.50000109E17S15-E17 PolarHBondContact O-N 3.23Å
16T54.1Low48.3Very low132 Ų132135.9 Ų135.981%0.8174%0.737SS**  trans-75.2109.1168-63.20000109P14P14-T16 PolarHBondContact O-N 3Å; P14-T16 VanDerWaalsContact O-N 3.15Å
17E37.8Very low48.9Very low180 Ų180130.5 Ų130.584%0.84173%0.725SS**  trans-155.7148.6148.151.7-156.1114.300112.6S15S15-E17 PolarHBondContact O-N 3.23Å
18N41.2Very low49.8Very low149 Ų149132.2 Ų132.280%0.79772%0.718SS**  trans-51.8147.1-161.5-169.6-96.3000116.8S20N18-S20 PolarHBondContact O-N 3.43Å
19S48.9Very low50.1Low117 Ų117128.9 Ų128.982%0.81870%0.701SS**  trans-45.3100.9171-54.80000114.3
20S53.2Low50.9Low94 Ų94125.4 Ų125.466%0.65770%0.695SS**  trans-108.3105.3144.756.70000107.3N18 L22N18-S20 PolarHBondContact O-N 3.43Å; S20-L22 PolarHBondContact O-N 3.42Å
21Q56.1Low51.6Low181 Ų181125.9 Ų125.985%0.84669%0.693SS**  trans-37.598.8170.4179.9176.5-14.200110.3D23Q21-D23 PolarHBondContact O-N 3.39Å; Q21-D23 VanDerWaalsContact O-N 3.14Å
22L58.3Low52.3Low130 Ų130124 Ų12468%0.68168%0.68SS**  trans-71.4108.8171.5-65.1179.3000106.2S20 F24S20-L22 PolarHBondContact O-N 3.42Å; L22-F24 PolarHBondContact O-N 3.21Å
23D56.1Low52.3Low80 Ų80119.2 Ų119.243%0.42867%0.667SS.*  trans-67.3113.7173.7-169.983.4000108Q21 E25 D26Q21-D23 PolarHBondContact O-N 3.39Å; Q21-D23 VanDerWaalsContact O-N 3.14Å; D23-E25 PolarHBondContact O-N 2.83Å; D23-E25 VanDerWaalsContact OD2-CB 3.3Å; D23-E25 WeakPolarHBondContact OD2-CB 3.48Å; D23-E25 PolarHBondContact OD2-N 3.47Å; D23-E25 VanDerWaalsContact OD2-N 3.14Å; D23-D26 PolarHBondContact O-N 3.15Å; D23-D26 PolarHBondContact OD2-N 3.07Å
24F58.5Low52.8Low179 Ų179119.5 Ų119.579%0.78567%0.665SS**Hα-helixtrans-62.3-25.7-173.6-93.6-97.3000111.8L22 W28L22-F24 PolarHBondContact O-N 3.21Å; F24-W28 WeakPolarHBondContact O-CB 3.23Å; F24-W28 PolarHBondContact O-N 3.22Å; F24-W28 VanDerWaalsContact O-N 3.09Å
25E58.1Low52.8Low130 Ų130120.9 Ų120.961%0.60767%0.666SS**Hα-helixtrans-73.4-34.2-179.8-67.9-78110.300111.7D23 N29D23-E25 PolarHBondContact O-N 2.83Å; D23-E25 VanDerWaalsContact OD2-CB 3.3Å; D23-E25 WeakPolarHBondContact OD2-CB 3.48Å; D23-E25 PolarHBondContact OD2-N 3.47Å; D23-E25 VanDerWaalsContact OD2-N 3.14Å; E25-N29 WeakPolarHBondContact O-CB 3.21Å; E25-N29 PolarHBondContact O-N 3.49Å
26D57.9Low53.2Low116 Ų116120.8 Ų120.862%0.6266%0.657SS**Hα-helixtrans-71.2-37.5178.2-81.4-42.6000112.8D23 S30D23-D26 PolarHBondContact O-N 3.15Å; D23-D26 PolarHBondContact OD2-N 3.07Å; D26-S30 VanDerWaalsContact O-CB 3.31Å; D26-S30 WeakPolarHBondContact O-CB 3.43Å; D26-S30 PolarHBondContact O-N 3.04Å
27V61.2Low53.2Low92 Ų92120 Ų12056%0.55866%0.657SS**Hα-helixtrans-69.3-42.6175.61730000110.7S31V27-S31 PolarHBondContact O-N 3.34Å
28W59.1Low53.5Low163 Ų163118.4 Ų118.462%0.61765%0.647SS**Hα-helixtrans-58.9-57174.4-169-115.2000107F24 S30 S31 Y32F24-W28 WeakPolarHBondContact O-CB 3.23Å; F24-W28 PolarHBondContact O-N 3.22Å; F24-W28 VanDerWaalsContact O-N 3.09Å; W28-S30 VanDerWaalsContact C-N 3.29Å; W28-S30 PolarHBondContact O-N 3.25Å; W28-S31 WeakPolarHBondContact O-CA 3.44Å; W28-S31 WeakPolarHBondContact O-CB 3.41Å; W28-S31 PolarHBondContact O-N 3.01Å; W28-Y32 VanDerWaalsContact C-CZ 3.44Å; W28-Y32 HydrophobicContact CB-CE1 3.74Å; W28-Y32 AromaticContact CD1-CE1 3.08Å; W28-Y32 AromaticContact CD1-CZ 3.38Å; W28-Y32 AromaticContact CD2-CD1 3.96Å; W28-Y32 HydrophobicContact CD2-CD1 3.96Å; W28-Y32 AromaticContact CD2-CE1 3.43Å; W28-Y32 HydrophobicContact CD2-CE1 3.43Å; W28-Y32 VanDerWaalsContact CD2-CE1 3.43Å; W28-Y32 AromaticContact CE2-CD1 3.83Å; W28-Y32 AromaticContact CE2-CE1 3.38Å; W28-Y32 HydrophobicContact CE3-CE1 4.34Å; W28-Y32 HydrophobicContact CG-CD1 4.14Å; W28-Y32 AromaticContact CG-CE1 3.19Å; W28-Y32 HydrophobicContact CG-CE1 3.19Å; W28-Y32 AromaticContact CG-CZ 3.89Å; W28-Y32 HydrophobicContact CZ2-CD1 4.28Å; W28-Y32 HydrophobicContact CZ2-CE1 4.23Å; W28-Y32 AromaticContact NE1-CD1 3.98Å; W28-Y32 AromaticContact NE1-CE1 3.13Å; W28-Y32 AromaticContact NE1-CZ 3.56Å; W28-Y32 WeakPolarHBondContact O-CD1 3.34Å; W28-Y32 WeakPolarHBondContact O-CE1 3.29Å; W28-Y32 PolarHBondContact O-N 3.15Å
29N54.3Low53.7Low89 Ų89115.9 Ų115.948%0.47664%0.639SS.*Hα-helixtrans-63.9-27.9-174.3-154.641.1000114.6E25 Y32 G33E25-N29 WeakPolarHBondContact O-CB 3.21Å; E25-N29 PolarHBondContact O-N 3.49Å; N29-Y32 WeakPolarHBondContact CA-OH 3.49Å; N29-Y32 HydrophobicContact CB-CE2 4.31Å; N29-Y32 WeakPolarHBondContact CB-OH 3.42Å; N29-Y32 PolarHBondContact N-OH 2.84Å; N29-Y32 VanDerWaalsContact N-OH 3.17Å; N29-Y32 WeakPolarHBondContact OD1-CE2 3.1Å; N29-Y32 PolarHBondContact OD1-OH 3.38Å; N29-G33 WeakPolarHBondContact O-CA 3.43Å; N29-G33 PolarHBondContact O-N 2.89Å
30S57Low53.8Low96 Ų96118.8 Ų118.867%0.67165%0.646SS**Hα-helixtrans-71.1-31.6170.5-171.20000112.7D26 W28D26-S30 VanDerWaalsContact O-CB 3.31Å; D26-S30 WeakPolarHBondContact O-CB 3.43Å; D26-S30 PolarHBondContact O-N 3.04Å; W28-S30 VanDerWaalsContact C-N 3.29Å; W28-S30 PolarHBondContact O-N 3.25Å
31S59.2Low53.7Low98 Ų98116.7 Ų116.769%0.68564%0.638SS**Hα-helixtrans-79.3-26.5-176.6-171.70000114.3V27 W28V27-S31 PolarHBondContact O-N 3.34Å; W28-S31 WeakPolarHBondContact O-CA 3.44Å; W28-S31 WeakPolarHBondContact O-CB 3.41Å; W28-S31 PolarHBondContact O-N 3.01Å
32Y53.8Low53.4Low106 Ų106114.3 Ų114.342%0.41663%0.631SS.*Hα-helixtrans-122.5-2.8177.657.4-99.1000114.1W28 N29 V34W28-Y32 VanDerWaalsContact C-CZ 3.44Å; W28-Y32 HydrophobicContact CB-CE1 3.74Å; W28-Y32 AromaticContact CD1-CE1 3.08Å; W28-Y32 AromaticContact CD1-CZ 3.38Å; W28-Y32 AromaticContact CD2-CD1 3.96Å; W28-Y32 HydrophobicContact CD2-CD1 3.96Å; W28-Y32 AromaticContact CD2-CE1 3.43Å; W28-Y32 HydrophobicContact CD2-CE1 3.43Å; W28-Y32 VanDerWaalsContact CD2-CE1 3.43Å; W28-Y32 AromaticContact CE2-CD1 3.83Å; W28-Y32 AromaticContact CE2-CE1 3.38Å; W28-Y32 HydrophobicContact CE3-CE1 4.34Å; W28-Y32 HydrophobicContact CG-CD1 4.14Å; W28-Y32 AromaticContact CG-CE1 3.19Å; W28-Y32 HydrophobicContact CG-CE1 3.19Å; W28-Y32 AromaticContact CG-CZ 3.89Å; W28-Y32 HydrophobicContact CZ2-CD1 4.28Å; W28-Y32 HydrophobicContact CZ2-CE1 4.23Å; W28-Y32 AromaticContact NE1-CD1 3.98Å; W28-Y32 AromaticContact NE1-CE1 3.13Å; W28-Y32 AromaticContact NE1-CZ 3.56Å; W28-Y32 WeakPolarHBondContact O-CD1 3.34Å; W28-Y32 WeakPolarHBondContact O-CE1 3.29Å; W28-Y32 PolarHBondContact O-N 3.15Å; N29-Y32 WeakPolarHBondContact CA-OH 3.49Å; N29-Y32 HydrophobicContact CB-CE2 4.31Å; N29-Y32 WeakPolarHBondContact CB-OH 3.42Å; N29-Y32 PolarHBondContact N-OH 2.84Å; N29-Y32 VanDerWaalsContact N-OH 3.17Å; N29-Y32 WeakPolarHBondContact OD1-CE2 3.1Å; N29-Y32 PolarHBondContact OD1-OH 3.38Å; Y32-V34 PolarHBondContact O-N 3.44Å
33G48.3Very low53Low50 Ų50114.1 Ų114.152%0.51562%0.623SS.*  trans-79.217.417900000114.5N29 N35N29-G33 WeakPolarHBondContact O-CA 3.43Å; N29-G33 PolarHBondContact O-N 2.89Å; G33-N35 PolarHBondContact O-N 3.07Å
34V46.3Very low52.7Low101 Ų101112.5 Ų112.561%0.61263%0.625SS**  trans-91.498.1171-1700000107.7Y32 D36Y32-V34 PolarHBondContact O-N 3.44Å; V34-D36 WeakPolarHBondContact CG1-OD2 3.28Å; V34-D36 PolarHBondContact O-N 2.93Å
35N54.3Low52.4Low144 Ų144105.7 Ų105.777%0.7760%0.602SS**  trans-60.582.8168.917649000110.2G33G33-N35 PolarHBondContact O-N 3.07Å
36D43.6Very low52Low110 Ų110106.3 Ų106.359%0.58861%0.61SS**  trans-118.3102.2165.3-72.2-46.2000107.5V34 F38V34-D36 WeakPolarHBondContact CG1-OD2 3.28Å; V34-D36 PolarHBondContact O-N 2.93Å; D36-F38 VanDerWaalsContact C-N 3.33Å; D36-F38 PolarHBondContact O-N 3.2Å
37S54Low51.6Low114 Ų114106.8 Ų106.880%0.79761%0.611SS**  trans-51.299.4166.4-67.30000108.6
38F44.3Very low50.9Low147 Ų147109 Ų10965%0.64562%0.615SS**  trans-81.6132.1179.2-111.7-94.9000109.7D36 Y43D36-F38 VanDerWaalsContact C-N 3.33Å; D36-F38 PolarHBondContact O-N 3.2Å; F38-Y43 WeakPolarHBondContact CB-OH 3.35Å; F38-Y43 HydrophobicContact CD1-CE1 4.18Å; F38-Y43 HydrophobicContact CD1-CE2 4.41Å; F38-Y43 AromaticContact CD1-CZ 3.58Å; F38-Y43 WeakPolarHBondContact CD1-OH 3.23Å; F38-Y43 HydrophobicContact CE1-CE1 4.34Å; F38-Y43 AromaticContact CG-CZ 4Å; F38-Y43 WeakPolarHBondContact CG-OH 3.3Å
39P46.1Very low50.6Low97 Ų97105.7 Ų105.763%0.6362%0.623SS**  trans-64.9141.317626.5-32.4000110.4G41P39-G41 VanDerWaalsContact C-N 3.26Å; P39-G41 PolarHBondContact O-N 2.88Å
40D50.8Low50.6Low178 Ų178104.9 Ų104.995%0.95263%0.629SS**SBendtrans-54.990.5166.4-167.568.5000108.5
41G50.5Low50.3Low49 Ų49104.1 Ų104.151%0.50563%0.628SS.*  trans-161.272.6-159.500000110.8P39 Y43P39-G41 VanDerWaalsContact C-N 3.26Å; P39-G41 PolarHBondContact O-N 2.88Å; G41-Y43 PolarHBondContact O-N 3.42Å
42D50.4Low49.9Very low131 Ų131104.3 Ų104.370%0.70163%0.627SS**  trans55.250.2153.4-133-21.3000116.5G44 A45D42-G44 PolarHBondContact O-N 3.36Å; D42-A45 PolarHBondContact O-N 2.78Å
43Y48.7Very low50.2Low126 Ų126105 Ų10549%0.49465%0.646SS.*THydrogen-bonded Turntrans-63.30.8162-67-81.4000113.6F38 G41 L47F38-Y43 WeakPolarHBondContact CB-OH 3.35Å; F38-Y43 HydrophobicContact CD1-CE1 4.18Å; F38-Y43 HydrophobicContact CD1-CE2 4.41Å; F38-Y43 AromaticContact CD1-CZ 3.58Å; F38-Y43 WeakPolarHBondContact CD1-OH 3.23Å; F38-Y43 HydrophobicContact CE1-CE1 4.34Å; F38-Y43 AromaticContact CG-CZ 4Å; F38-Y43 WeakPolarHBondContact CG-OH 3.3Å; G41-Y43 PolarHBondContact O-N 3.42Å; Y43-L47 WeakPolarHBondContact O-CD1 3.21Å; Y43-L47 VanDerWaalsContact O-CG 3.32Å; Y43-L47 WeakPolarHBondContact O-CG 3.14Å
44G50.9Low50.4Low47 Ų47111 Ų11149%0.48566%0.661SS.*THydrogen-bonded Turntrans-72.7-40.7173.400000112.2D42 E48D42-G44 PolarHBondContact O-N 3.36Å; G44-E48 VanDerWaalsContact O-CG 3.27Å; G44-E48 WeakPolarHBondContact O-CG 3.37Å
45A51.6Low50.9Low36 Ų36109.4 Ų109.430%0.29865%0.654SS.*THydrogen-bonded Turntrans-78.3-33.5-170.300000114.2D42 E48D42-A45 PolarHBondContact O-N 2.78Å; A45-E48 VanDerWaalsContact CA-CD 3.43Å; A45-E48 WeakPolarHBondContact CA-OE2 3.16Å; A45-E48 WeakPolarHBondContact O-CG 3.4Å
46N49Very low51Low143 Ų143108.7 Ų108.777%0.76566%0.659SS**THydrogen-bonded Turntrans-87.7-7.1-177.1-73.1-9.9000114.2
47L49.5Very low51.5Low126 Ų126108.1 Ų108.166%0.6666%0.655SS**THydrogen-bonded Turntrans-86.5-9.7172.5-66.8175.3000112.7Y43 A49Y43-L47 WeakPolarHBondContact O-CD1 3.21Å; Y43-L47 VanDerWaalsContact O-CG 3.32Å; Y43-L47 WeakPolarHBondContact O-CG 3.14Å; L47-A49 VanDerWaalsContact C-N 3.33Å
48E47.7Very low51.4Low137 Ų137109.8 Ų109.864%0.6465%0.654SS**SBendtrans-75.3-25.9177.3-42.9164.8136.200111.9G44 A45G44-E48 VanDerWaalsContact O-CG 3.27Å; G44-E48 WeakPolarHBondContact O-CG 3.37Å; A45-E48 VanDerWaalsContact CA-CD 3.43Å; A45-E48 WeakPolarHBondContact CA-OE2 3.16Å; A45-E48 WeakPolarHBondContact O-CG 3.4Å
49A52.3Low51.9Low94 Ų94106.8 Ų106.878%0.77765%0.645SS**SBendtrans-92.9-11.6-174.900000114L47L47-A49 VanDerWaalsContact C-N 3.33Å
50A54.1Low52.2Low73 Ų73107 Ų10760%0.60364%0.641SS**SBendtrans-97.888.1166.800000108.3
51A51.3Low52.6Low80 Ų80104.8 Ų104.866%0.66163%0.629SS**  trans24.697.217000000115.3C53A51-C53 PolarHBondContact O-N 2.89Å
52P49.8Very low53.1Low102 Ų102106.5 Ų106.566%0.66263%0.633SS**  trans-45.3109.7179.6-31.133.9000113.8H54P52-H54 HydrophobicContact CB-CB 4.45Å; P52-H54 PolarHBondContact O-N 3.43Å
53C60Low53.8Low119 Ų119102.2 Ų102.280%0.80462%0.616SS**  trans-76.962163.3-70.20000109.5A51 S55A51-C53 PolarHBondContact O-N 2.89Å; C53-S55 PolarHBondContact O-N 2.81Å
54H53.4Low54.8Low178 Ų17899.5 Ų99.582%0.82461%0.61SS**  trans-84.414.5177.7-161.8-63.9000112.6P52P52-H54 HydrophobicContact CB-CB 4.45Å; P52-H54 PolarHBondContact O-N 3.43Å
55S56.8Low56.1Low67 Ų67100.2 Ų100.247%0.46961%0.605SS.*  trans-163.383.3162.8-157.10000111.8C53 N57C53-S55 PolarHBondContact O-N 2.81Å; S55-N57 PolarHBondContact O-N 3.18Å; S55-N57 VanDerWaalsContact O-N 3.08Å; S55-N57 PolarHBondContact OG-N 2.86Å; S55-N57 PolarHBondContact OG-O 3.23Å
56C56.4Low57.6Low129 Ų129105.3 Ų105.387%0.87262%0.621SS**SBendtrans-76.945.4151.7-73.90000110.3
57N53.4Low59.1Low97 Ų97104.6 Ų104.652%0.51961%0.611SS.*  trans-144.454.8171.2-159.612.6000109.8S55S55-N57 PolarHBondContact O-N 3.18Å; S55-N57 VanDerWaalsContact O-N 3.08Å; S55-N57 PolarHBondContact OG-N 2.86Å; S55-N57 PolarHBondContact OG-O 3.23Å
58L52.6Low60.9Low149 Ų149103.2 Ų103.278%0.7860%0.604SS**  trans-105.73.7176.4-140.4141.5000112.6
59L54Low62.9Low85 Ų85101.7 Ų101.745%0.44560%0.6SS.*SBendtrans-100.774.2147.6-9378.4000106.5D61 L64L59-D61 PolarHBondContact O-N 3.31Å; L59-L64 HydrophobicContact CB-CD2 4.49Å; L59-L64 HydrophobicContact CB-CG 4.22Å; L59-L64 HydrophobicContact CD2-CD2 3.51Å; L59-L64 HydrophobicContact CD2-CG 3.92Å
60D54.2Low64.8Low102 Ų102101.4 Ų101.455%0.54559%0.588SS.*  trans-39.7137.9158.8-117.7-66.1000107.8S62 A63D60-S62 CarbonylContact O-C 3.59Å; D60-S62 PolarHBondContact O-N 3.18Å; D60-A63 PolarHBondContact O-N 2.8Å
61D58.3Low66.6Low131 Ų131100.5 Ų100.570%0.70158%0.578SS**THydrogen-bonded Turntrans-49.8-20.3-176-76.9-65.2000113.7L59 P65L59-D61 PolarHBondContact O-N 3.31Å; D61-P65 VanDerWaalsContact O-CD 3.28Å; D61-P65 WeakPolarHBondContact O-CD 3.23Å
62S60.4Low68.7Low85 Ų85100.2 Ų100.259%0.59457%0.567SS**THydrogen-bonded Turntrans-75.4-27.7175.6-52.10000115.1D60 P65 F66D60-S62 CarbonylContact O-C 3.59Å; D60-S62 PolarHBondContact O-N 3.18Å; S62-P65 WeakPolarHBondContact O-CD 3.45Å; S62-P65 VanDerWaalsContact O-CG 3.32Å; S62-P65 WeakPolarHBondContact O-CG 3.26Å; S62-F66 WeakPolarHBondContact O-CD2 3.22Å; S62-F66 WeakPolarHBondContact O-CE2 3.32Å
63A66.1Low70.9Confident40 Ų40100.6 Ų100.633%0.33156%0.563SS.*Hα-helixtrans-90.2-25.7-17700000113.3D60 F66 F67D60-A63 PolarHBondContact O-N 2.8Å; A63-F66 PolarHBondContact O-N 2.89Å; A63-F67 WeakPolarHBondContact O-CB 3.17Å; A63-F67 PolarHBondContact O-N 2.84Å
64L68.9Low72.6Confident70 Ų7096.5 Ų96.537%0.36654%0.541SS..Hα-helixtrans-48.9-51.7171.6-82.4163.7000113.7L59 F66 F67 I68L59-L64 HydrophobicContact CB-CD2 4.49Å; L59-L64 HydrophobicContact CB-CG 4.22Å; L59-L64 HydrophobicContact CD2-CD2 3.51Å; L59-L64 HydrophobicContact CD2-CG 3.92Å; L64-F66 PolarHBondContact O-N 3.18Å; L64-F67 PolarHBondContact O-N 3.47Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.35Å; L64-I68 PolarHBondContact O-N 2.84Å
65P78.2Confident74.7Confident61 Ų6193.3 Ų93.340%0.39653%0.529SS..Hα-helixtrans-64.7-38.3-178.823.7-34.2000112.5D61 S62 I68 L69D61-P65 VanDerWaalsContact O-CD 3.28Å; D61-P65 WeakPolarHBondContact O-CD 3.23Å; S62-P65 WeakPolarHBondContact O-CD 3.45Å; S62-P65 VanDerWaalsContact O-CG 3.32Å; S62-P65 WeakPolarHBondContact O-CG 3.26Å; P65-I68 PolarHBondContact O-N 3.45Å; P65-L69 WeakPolarHBondContact O-CB 3.18Å; P65-L69 VanDerWaalsContact O-CG 3.24Å; P65-L69 WeakPolarHBondContact O-CG 3.26Å; P65-L69 PolarHBondContact O-N 3.46Å
66F82.9Confident76.6Confident143 Ų14394.6 Ų94.663%0.62753%0.53SS*.Hα-helixtrans-68.6-36.7176.9-65.1-76.1000112.1S62 A63 L64 L69 T70S62-F66 WeakPolarHBondContact O-CD2 3.22Å; S62-F66 WeakPolarHBondContact O-CE2 3.32Å; A63-F66 PolarHBondContact O-N 2.89Å; L64-F66 PolarHBondContact O-N 3.18Å; F66-L69 PolarHBondContact O-N 2.94Å; F66-T70 WeakPolarHBondContact O-CB 3.39Å; F66-T70 VanDerWaalsContact O-CG2 3.32Å; F66-T70 WeakPolarHBondContact O-CG2 3.32Å; F66-T70 PolarHBondContact O-N 3.42Å; F66-T70 PolarHBondContact O-OG1 3.05Å
67F81.7Confident78.5Confident128 Ų12891 Ų9156%0.56151%0.509SS*.Hα-helixtrans-63.9-42.6173.9-178.2-100.7000111.7A63 L64 T70 S71A63-F67 WeakPolarHBondContact O-CB 3.17Å; A63-F67 PolarHBondContact O-N 2.84Å; L64-F67 PolarHBondContact O-N 3.47Å; F67-T70 WeakPolarHBondContact CA-OG1 3.41Å; F67-T70 PolarHBondContact O-N 2.78Å; F67-T70 PolarHBondContact O-OG1 2.84Å; F67-S71 WeakPolarHBondContact O-CB 3.45Å; F67-S71 PolarHBondContact O-N 3.15Å
68I86.9Confident80.5Confident98 Ų9890.1 Ų90.150%0.50351%0.511SS..Hα-helixtrans-63.6-47.1175.8-66.2164.5000110.4L64 P65 T70 S71 V72L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.35Å; L64-I68 PolarHBondContact O-N 2.84Å; P65-I68 PolarHBondContact O-N 3.45Å; I68-T70 PolarHBondContact O-N 2.95Å; I68-S71 PolarHBondContact O-N 3.4Å; I68-V72 HydrophobicContact CG2-CG2 4.32Å; I68-V72 WeakPolarHBondContact O-CB 3.27Å; I68-V72 VanDerWaalsContact O-CG2 3.27Å; I68-V72 WeakPolarHBondContact O-CG2 3.47Å; I68-V72 PolarHBondContact O-N 3.33Å
69L90Very high82.5Confident105 Ų10585.7 Ų85.755%0.5549%0.493SS..Hα-helixtrans-60.4-46.3179-73.2173.1000112P65 F66 V72 L73P65-L69 WeakPolarHBondContact O-CB 3.18Å; P65-L69 VanDerWaalsContact O-CG 3.24Å; P65-L69 WeakPolarHBondContact O-CG 3.26Å; P65-L69 PolarHBondContact O-N 3.46Å; F66-L69 PolarHBondContact O-N 2.94Å; L69-V72 PolarHBondContact O-N 2.95Å; L69-L73 WeakPolarHBondContact O-CB 3.39Å; L69-L73 VanDerWaalsContact O-CG 3.22Å; L69-L73 WeakPolarHBondContact O-CG 3.12Å; L69-L73 PolarHBondContact O-N 3.33Å
70T91Very high84.4Confident87 Ų8785.2 Ų85.253%0.53449%0.493SS..Hα-helixtrans-67.1-37.9178.749.60000112.1F66 F67 I68 G74F66-T70 WeakPolarHBondContact O-CB 3.39Å; F66-T70 VanDerWaalsContact O-CG2 3.32Å; F66-T70 WeakPolarHBondContact O-CG2 3.32Å; F66-T70 PolarHBondContact O-N 3.42Å; F66-T70 PolarHBondContact O-OG1 3.05Å; F67-T70 WeakPolarHBondContact CA-OG1 3.41Å; F67-T70 PolarHBondContact O-N 2.78Å; F67-T70 PolarHBondContact O-OG1 2.84Å; I68-T70 PolarHBondContact O-N 2.95Å; T70-G74 PolarHBondContact O-N 2.94Å
71S92.6Very high86.3Confident55 Ų5585.2 Ų85.239%0.38550%0.496SS..Hα-helixtrans-62.6-49173.7-176.80000111.9F67 I68 L73 G74 I75F67-S71 WeakPolarHBondContact O-CB 3.45Å; F67-S71 PolarHBondContact O-N 3.15Å; I68-S71 PolarHBondContact O-N 3.4Å; S71-L73 PolarHBondContact O-N 2.89Å; S71-G74 PolarHBondContact O-N 3.28Å; S71-I75 WeakPolarHBondContact O-CG1 3.46Å; S71-I75 PolarHBondContact O-N 2.91Å
72V95.9Very high87.9Confident73 Ų7383.4 Ų83.444%0.44249%0.487SS..Hα-helixtrans-61.7-44.8177.5171.40000111.2I68 L69 G74 I75 L76I68-V72 HydrophobicContact CG2-CG2 4.32Å; I68-V72 WeakPolarHBondContact O-CB 3.27Å; I68-V72 VanDerWaalsContact O-CG2 3.27Å; I68-V72 WeakPolarHBondContact O-CG2 3.47Å; I68-V72 PolarHBondContact O-N 3.33Å; L69-V72 PolarHBondContact O-N 2.95Å; V72-G74 VanDerWaalsContact C-N 3.32Å; V72-G74 PolarHBondContact O-N 3.01Å; V72-I75 PolarHBondContact O-N 3.47Å; V72-L76 HydrophobicContact CG1-CD1 3.96Å; V72-L76 WeakPolarHBondContact O-CB 3.41Å; V72-L76 PolarHBondContact O-N 2.94Å
73L95.7Very high89.2Confident111 Ų11185 Ų8558%0.58148%0.483SS*.Hα-helixtrans-62.8-39175.7-74.1170000111.8L69 S71 L76 A77L69-L73 WeakPolarHBondContact O-CB 3.39Å; L69-L73 VanDerWaalsContact O-CG 3.22Å; L69-L73 WeakPolarHBondContact O-CG 3.12Å; L69-L73 PolarHBondContact O-N 3.33Å; S71-L73 PolarHBondContact O-N 2.89Å; L73-L76 PolarHBondContact O-N 2.91Å; L73-A77 VanDerWaalsContact O-CB 3.26Å; L73-A77 WeakPolarHBondContact O-CB 3.24Å; L73-A77 PolarHBondContact O-N 3.46Å
74G95.6Very high90.3Very high33 Ų3388.6 Ų88.634%0.3449%0.494SS..Hα-helixtrans-63.3-41.9175.900000112.8T70 S71 V72 S78T70-G74 PolarHBondContact O-N 2.94Å; S71-G74 PolarHBondContact O-N 3.28Å; V72-G74 VanDerWaalsContact C-N 3.32Å; V72-G74 PolarHBondContact O-N 3.01Å; G74-S78 VanDerWaalsContact O-CB 3.26Å; G74-S78 WeakPolarHBondContact O-CB 3.47Å; G74-S78 PolarHBondContact O-N 2.77Å; G74-S78 PolarHBondContact O-OG 3.5Å
75I96.6Very high91.2Very high111 Ų11190.9 Ų90.957%0.56951%0.506SS*.Hα-helixtrans-67.7-43.3176.4-64.6164.8000110.6S71 V72 S78 S79S71-I75 WeakPolarHBondContact O-CG1 3.46Å; S71-I75 PolarHBondContact O-N 2.91Å; V72-I75 PolarHBondContact O-N 3.47Å; I75-S78 PolarHBondContact O-N 2.74Å; I75-S79 VanDerWaalsContact O-CB 3.23Å; I75-S79 WeakPolarHBondContact O-CB 3.28Å; I75-S79 PolarHBondContact O-N 3.42Å; I75-S79 PolarHBondContact O-OG 3.43Å
76L96.7Very high91.4Very high94 Ų9491.8 Ų91.849%0.49250%0.504SS..Hα-helixtrans-62.7-45.8175.8-85.2161.9000111.9V72 L73 S79 T80V72-L76 HydrophobicContact CG1-CD1 3.96Å; V72-L76 WeakPolarHBondContact O-CB 3.41Å; V72-L76 PolarHBondContact O-N 2.94Å; L73-L76 PolarHBondContact O-N 2.91Å; L76-S79 WeakPolarHBondContact CA-OG 3.32Å; L76-S79 PolarHBondContact O-OG 3.38Å; L76-S79 VanDerWaalsContact O-OG 3.05Å; L76-T80 WeakPolarHBondContact O-CB 3.4Å; L76-T80 WeakPolarHBondContact O-CG2 3.28Å; L76-T80 PolarHBondContact O-N 2.96Å; L76-T80 PolarHBondContact O-OG1 3Å
77A96.1Very high90.9Very high52 Ų5289.3 Ų89.343%0.4349%0.491SS..Hα-helixtrans-62.4-47.3176.800000111.3L73 T80 V81L73-A77 VanDerWaalsContact O-CB 3.26Å; L73-A77 WeakPolarHBondContact O-CB 3.24Å; L73-A77 PolarHBondContact O-N 3.46Å; A77-T80 PolarHBondContact O-N 3.45Å; A77-T80 PolarHBondContact O-OG1 2.88Å; A77-V81 VanDerWaalsContact O-CG2 3.3Å; A77-V81 WeakPolarHBondContact O-CG2 3.22Å; A77-V81 PolarHBondContact O-N 3.46Å
78S95.3Very high90.5Very high80 Ų8087.1 Ų87.156%0.55949%0.489SS*.Hα-helixtrans-63.7-47.3179.7-59.90000111.5G74 I75 T80 V81 L82G74-S78 VanDerWaalsContact O-CB 3.26Å; G74-S78 WeakPolarHBondContact O-CB 3.47Å; G74-S78 PolarHBondContact O-N 2.77Å; G74-S78 PolarHBondContact O-OG 3.5Å; I75-S78 PolarHBondContact O-N 2.74Å; S78-T80 PolarHBondContact O-N 3.27Å; S78-V81 PolarHBondContact O-N 2.98Å; S78-L82 WeakPolarHBondContact O-CB 3.27Å; S78-L82 PolarHBondContact O-N 2.91Å
79S94.5Very high89.4Confident56 Ų5687.4 Ų87.439%0.39249%0.491SS..Hα-helixtrans-65-36.9179.759.70000113I75 L76 F83I75-S79 VanDerWaalsContact O-CB 3.23Å; I75-S79 WeakPolarHBondContact O-CB 3.28Å; I75-S79 PolarHBondContact O-N 3.42Å; I75-S79 PolarHBondContact O-OG 3.43Å; L76-S79 WeakPolarHBondContact CA-OG 3.32Å; L76-S79 PolarHBondContact O-OG 3.38Å; L76-S79 VanDerWaalsContact O-OG 3.05Å; S79-F83 WeakPolarHBondContact O-CB 3.18Å; S79-F83 PolarHBondContact O-N 3.41Å
80T94.7Very high87.9Confident74 Ų7487.9 Ų87.945%0.45449%0.489SS..Hα-helixtrans-68.9-43.2176.952.60000112.3L76 A77 S78 F83 M84L76-T80 WeakPolarHBondContact O-CB 3.4Å; L76-T80 WeakPolarHBondContact O-CG2 3.28Å; L76-T80 PolarHBondContact O-N 2.96Å; L76-T80 PolarHBondContact O-OG1 3Å; A77-T80 PolarHBondContact O-N 3.45Å; A77-T80 PolarHBondContact O-OG1 2.88Å; S78-T80 PolarHBondContact O-N 3.27Å; T80-F83 PolarHBondContact O-N 2.74Å; T80-M84 WeakPolarHBondContact O-CG 3.32Å; T80-M84 PolarHBondContact O-N 2.89Å
81V94.3Very high86.4Confident102 Ų10291.3 Ų91.362%0.61849%0.492SS*.Hα-helixtrans-60.7-48.1173.5170.90000110.1A77 S78 F83 M84 L85A77-V81 VanDerWaalsContact O-CG2 3.3Å; A77-V81 WeakPolarHBondContact O-CG2 3.22Å; A77-V81 PolarHBondContact O-N 3.46Å; S78-V81 PolarHBondContact O-N 2.98Å; V81-F83 VanDerWaalsContact C-N 3.33Å; V81-F83 PolarHBondContact O-N 3.41Å; V81-M84 PolarHBondContact O-N 3.14Å; V81-L85 PolarHBondContact O-N 3.09Å
82L92.7Very high84.7Confident94 Ų9496.4 Ų96.449%0.49250%0.503SS..Hα-helixtrans-61-42.9178.6-156.675.6000110.9S78 M84 L85 F86S78-L82 WeakPolarHBondContact O-CB 3.27Å; S78-L82 PolarHBondContact O-N 2.91Å; L82-M84 PolarHBondContact O-N 3.08Å; L82-L85 WeakPolarHBondContact O-CB 3.31Å; L82-L85 PolarHBondContact O-N 3.38Å; L82-F86 HydrophobicContact CD1-CD2 4.39Å; L82-F86 HydrophobicContact CD1-CE2 3.81Å; L82-F86 HydrophobicContact CD2-CD2 4.32Å; L82-F86 HydrophobicContact CD2-CE2 3.89Å; L82-F86 HydrophobicContact CG-CD2 3.7Å; L82-F86 HydrophobicContact CG-CE2 3.47Å; L82-F86 VanDerWaalsContact CG-CE2 3.47Å; L82-F86 WeakPolarHBondContact O-CB 3.36Å; L82-F86 WeakPolarHBondContact O-CD2 3.12Å; L82-F86 PolarHBondContact O-N 3.45Å
83F87.2Confident82.9Confident118 Ų11899.8 Ų99.852%0.51851%0.514SS..Hα-helixtrans-64.2-39.4175.5179.2-114.9000112.7S79 T80 V81 L85 F86 R87S79-F83 WeakPolarHBondContact O-CB 3.18Å; S79-F83 PolarHBondContact O-N 3.41Å; T80-F83 PolarHBondContact O-N 2.74Å; V81-F83 VanDerWaalsContact C-N 3.33Å; V81-F83 PolarHBondContact O-N 3.41Å; F83-L85 VanDerWaalsContact C-N 3.32Å; F83-F86 PolarHBondContact O-N 3.22Å; F83-R87 HydrophobicContact CD1-CG 4.38Å; F83-R87 HydrophobicContact CE1-CG 4.21Å; F83-R87 VanDerWaalsContact CE1-NH2 3.35Å; F83-R87 HydrophobicContact CE2-CG 4.4Å; F83-R87 HydrophobicContact CZ-CG 4.2Å; F83-R87 WeakPolarHBondContact O-CB 3.13Å; F83-R87 VanDerWaalsContact O-CG 3.23Å; F83-R87 WeakPolarHBondContact O-CG 3.46Å; F83-R87 PolarHBondContact O-N 3.19Å
84M88.5Confident81.1Confident116 Ų116101.3 Ų101.357%0.57152%0.522SS*.Hα-helixtrans-65.3-36.9173.7-72.6-65.5-17000112.1T80 V81 L82 P88T80-M84 WeakPolarHBondContact O-CG 3.32Å; T80-M84 PolarHBondContact O-N 2.89Å; V81-M84 PolarHBondContact O-N 3.14Å; L82-M84 PolarHBondContact O-N 3.08Å; M84-P88 VanDerWaalsContact O-CD 3.29Å; M84-P88 WeakPolarHBondContact O-CD 2.76Å
85L87.9Confident79.1Confident118 Ų118103.7 Ų103.762%0.61853%0.532SS*.Hα-helixtrans-68.2-39.5174.8-164.886.4000112V81 L82 F83 P88V81-L85 PolarHBondContact O-N 3.09Å; L82-L85 WeakPolarHBondContact O-CB 3.31Å; L82-L85 PolarHBondContact O-N 3.38Å; F83-L85 VanDerWaalsContact C-N 3.32Å; L85-P88 VanDerWaalsContact O-CD 3.23Å; L85-P88 WeakPolarHBondContact O-CD 3.44Å; L85-P88 VanDerWaalsContact O-CG 3.26Å; L85-P88 WeakPolarHBondContact O-CG 3.21Å
86F81.6Confident76.9Confident80 Ų80104.4 Ų104.435%0.35154%0.544SS..Hα-helixtrans-81.4-19.8179.1-78.9-64000114L82 F83 L89 F90L82-F86 HydrophobicContact CD1-CD2 4.39Å; L82-F86 HydrophobicContact CD1-CE2 3.81Å; L82-F86 HydrophobicContact CD2-CD2 4.32Å; L82-F86 HydrophobicContact CD2-CE2 3.89Å; L82-F86 HydrophobicContact CG-CD2 3.7Å; L82-F86 HydrophobicContact CG-CE2 3.47Å; L82-F86 VanDerWaalsContact CG-CE2 3.47Å; L82-F86 WeakPolarHBondContact O-CB 3.36Å; L82-F86 WeakPolarHBondContact O-CD2 3.12Å; L82-F86 PolarHBondContact O-N 3.45Å; F83-F86 PolarHBondContact O-N 3.22Å; F86-L89 HydrophobicContact CD1-CD1 3.63Å; F86-L89 HydrophobicContact CE1-CD1 3.99Å; F86-L89 WeakPolarHBondContact O-CB 2.9Å; F86-L89 PolarHBondContact O-N 3.21Å; F86-F90 HydrophobicContact CB-CD2 3.99Å; F86-F90 HydrophobicContact CB-CE2 3.97Å; F86-F90 HydrophobicContact CD1-CE2 4.22Å; F86-F90 HydrophobicContact CG-CE2 4.29Å; F86-F90 WeakPolarHBondContact O-CD2 3.16Å; F86-F90 PolarHBondContact O-N 3.3Å
87R74.1Confident75.1Confident91 Ų91103.1 Ų103.134%0.34355%0.554SS.*Hα-helixtrans-50.3-46.4176.2-97.4177167.1-168.6-3.2114.7F83 L89 R91F83-R87 HydrophobicContact CD1-CG 4.38Å; F83-R87 HydrophobicContact CE1-CG 4.21Å; F83-R87 VanDerWaalsContact CE1-NH2 3.35Å; F83-R87 HydrophobicContact CE2-CG 4.4Å; F83-R87 HydrophobicContact CZ-CG 4.2Å; F83-R87 WeakPolarHBondContact O-CB 3.13Å; F83-R87 VanDerWaalsContact O-CG 3.23Å; F83-R87 WeakPolarHBondContact O-CG 3.46Å; F83-R87 PolarHBondContact O-N 3.19Å; R87-L89 VanDerWaalsContact C-N 3.33Å; R87-R91 WeakPolarHBondContact O-CB 3.3Å; R87-R91 WeakPolarHBondContact O-CD 3.12Å; R87-R91 WeakPolarHBondContact O-CG 2.92Å; R87-R91 PolarHBondContact O-N 2.84Å
88P72.5Confident73.3Confident81 Ų81104.7 Ų104.753%0.52656%0.558SS.*Hα-helixtrans-66-33.9174.924.2-34.4000112.9M84 L85 W92M84-P88 VanDerWaalsContact O-CD 3.29Å; M84-P88 WeakPolarHBondContact O-CD 2.76Å; L85-P88 VanDerWaalsContact O-CD 3.23Å; L85-P88 WeakPolarHBondContact O-CD 3.44Å; L85-P88 VanDerWaalsContact O-CG 3.26Å; L85-P88 WeakPolarHBondContact O-CG 3.21Å; P88-W92 PolarHBondContact O-N 3.25Å
89L64.8Low71Confident105 Ų105105.1 Ų105.155%0.5557%0.567SS.*Hα-helixtrans-68.6-44.3-178.9-67.9169.1000112.1F86 R87 W92 Q93F86-L89 HydrophobicContact CD1-CD1 3.63Å; F86-L89 HydrophobicContact CE1-CD1 3.99Å; F86-L89 WeakPolarHBondContact O-CB 2.9Å; F86-L89 PolarHBondContact O-N 3.21Å; R87-L89 VanDerWaalsContact C-N 3.33Å; L89-W92 WeakPolarHBondContact O-CB 2.84Å; L89-W92 PolarHBondContact O-N 3Å; L89-Q93 PolarHBondContact O-N 2.9Å
90F57.5Low69.2Low114 Ų114105.4 Ų105.450%0.558%0.578SS.*Hα-helixtrans-77.2-30.7179.2-74.7-74.2000113.7F86 W92 Q93 L94F86-F90 HydrophobicContact CB-CD2 3.99Å; F86-F90 HydrophobicContact CB-CE2 3.97Å; F86-F90 HydrophobicContact CD1-CE2 4.22Å; F86-F90 HydrophobicContact CG-CE2 4.29Å; F86-F90 WeakPolarHBondContact O-CD2 3.16Å; F86-F90 PolarHBondContact O-N 3.3Å; F90-W92 PolarHBondContact O-N 2.8Å; F90-Q93 PolarHBondContact O-N 3.5Å; F90-Q93 VanDerWaalsContact O-N 3.15Å; F90-L94 WeakPolarHBondContact O-CD1 2.86Å; F90-L94 PolarHBondContact O-N 3.14Å
91R59.9Low66.9Low160 Ų160105.5 Ų105.560%0.60458%0.581SS**Hα-helixtrans-63.3-33.2171.4-75174.6-172-174.42.3111.8R87 C95R87-R91 WeakPolarHBondContact O-CB 3.3Å; R87-R91 WeakPolarHBondContact O-CD 3.12Å; R87-R91 WeakPolarHBondContact O-CG 2.92Å; R87-R91 PolarHBondContact O-N 2.84Å; R91-C95 PolarHBondContact O-N 3.19Å; R91-C95 VanDerWaalsContact O-N 3.15Å
92W56.6Low64.8Low161 Ų161104 Ų10461%0.6159%0.587SS**Hα-helixtrans-69.3-35.3173.8-130.779.7000112.2P88 L89 F90 C95 A99P88-W92 PolarHBondContact O-N 3.25Å; L89-W92 WeakPolarHBondContact O-CB 2.84Å; L89-W92 PolarHBondContact O-N 3Å; F90-W92 PolarHBondContact O-N 2.8Å; W92-C95 CarbonylContact O-C 3.34Å; W92-C95 PolarHBondContact O-N 3.17Å; W92-A99 HydrophobicContact CH2-CB 3.48Å; W92-A99 VanDerWaalsContact CH2-CB 3.48Å; W92-A99 HydrophobicContact CZ2-CB 3.7Å
93Q58.2Low62.9Low145 Ų145108.5 Ų108.568%0.67861%0.605SS**Hα-helixtrans-74.2-30.2177.9-142.4177.312.300113.3L89 F90L89-Q93 PolarHBondContact O-N 2.9Å; F90-Q93 PolarHBondContact O-N 3.5Å; F90-Q93 VanDerWaalsContact O-N 3.15Å
94L57Low60.8Low142 Ų142107.8 Ų107.874%0.74361%0.613SS**Hα-helixtrans-81.5-15.9172.4-84.983.9000113.8F90 P96F90-L94 WeakPolarHBondContact O-CD1 2.86Å; F90-L94 PolarHBondContact O-N 3.14Å; L94-P96 VanDerWaalsContact C-CD 3.4Å; L94-P96 VanDerWaalsContact O-CD 3.28Å; L94-P96 WeakPolarHBondContact O-CD 3.18Å
95C54.2Low58.7Low83 Ų83107.5 Ų107.556%0.56162%0.62SS**  trans-114.577.6171.5-74.50000110.9R91 W92 G97R91-C95 PolarHBondContact O-N 3.19Å; R91-C95 VanDerWaalsContact O-N 3.15Å; W92-C95 CarbonylContact O-C 3.34Å; W92-C95 PolarHBondContact O-N 3.17Å; C95-G97 PolarHBondContact O-N 3.4Å
96P50.9Low56.9Low127 Ų127110.1 Ų110.183%0.82563%0.634SS**THydrogen-bonded Turntrans-72.181166.732-31.7000108.1L94L94-P96 VanDerWaalsContact C-CD 3.4Å; L94-P96 VanDerWaalsContact O-CD 3.28Å; L94-P96 WeakPolarHBondContact O-CD 3.18Å
97G58.3Low55.2Low67 Ų67114.4 Ų114.469%0.69166%0.655SS**THydrogen-bonded Turntrans-1770.8-17800000118.6C95C95-G97 PolarHBondContact O-N 3.4Å
98T57.8Low53.7Low85 Ų85118.9 Ų118.952%0.52168%0.679SS.*  trans-14553177.7-18.60000113.3G100 C101T98-G100 PolarHBondContact O-N 3.05Å; T98-C101 HydrophobicContact CG2-CB 4.01Å
99A47.3Very low52.4Low89 Ų89121.9 Ų121.974%0.73670%0.701SS**SBendtrans-72.968.2155.600000108.7W92W92-A99 HydrophobicContact CH2-CB 3.48Å; W92-A99 VanDerWaalsContact CH2-CB 3.48Å; W92-A99 HydrophobicContact CZ2-CB 3.7Å
100G56.9Low51.3Low62 Ų62119.8 Ų119.864%0.63970%0.704SS**  trans162.644.9-173.300000114.7T98T98-G100 PolarHBondContact O-N 3.05Å
101C45.9Very low50.9Low76 Ų76119 Ų11951%0.51472%0.719SS.*  trans-145.882.1158.9-107.80000108.7T98 Q103T98-C101 HydrophobicContact CG2-CB 4.01Å; C101-Q103 PolarHBondContact O-N 3.29Å
102G52.1Low50Low71 Ų71123.1 Ų123.173%0.73274%0.735SS**SBendtrans-57.9120.6145.600000106.3
103Q52.8Low49.7Very low188 Ų188123.7 Ų123.788%0.87975%0.749SS**  trans82.174.8179.8-44.5173.378.500115.5C101C101-Q103 PolarHBondContact O-N 3.29Å
104C41.8Very low48.7Very low102 Ų102119.8 Ų119.869%0.68975%0.747SS**  trans-120.3108.8149.1-91.20000108.2L106C104-L106 PolarHBondContact O-N 2.84Å
105P43.8Very low48.3Very low111 Ų111119.2 Ų119.272%0.72175%0.752SS**  trans-67136.9176.928.2-31.2000109.3Q107P105-Q107 PolarHBondContact O-N 2.85Å
106L50.4Low48Very low172 Ų172127.4 Ų127.490%0.90177%0.771SS**THydrogen-bonded Turntrans-66.364.3-178.8-162.6151.5000111.3C104C104-L106 PolarHBondContact O-N 2.84Å
107Q45.7Very low47.8Very low170 Ų170125.9 Ų125.979%0.79477%0.77SS**THydrogen-bonded Turntrans-136.4-7.4177.6-69.3-145.562.700115.9P105P105-Q107 PolarHBondContact O-N 2.85Å
108H43.6Very low47.3Very low185 Ų185138 Ų13886%0.85679%0.794SS**SBendtrans-118.67.5-175-94.8-58.5000118.1G110H108-G110 PolarHBondContact O-N 3.39Å; H108-G110 VanDerWaalsContact O-N 3.14Å
109C44.5Very low46.8Very low144 Ų144140.6 Ų140.697%0.97381%0.808SS**  trans-87.555.6160.7-970000110.5
110G41.8Very low46.7Very low61 Ų61143.3 Ų143.363%0.62981%0.812SS**  trans-78123.4167.200000109.5H108 R112H108-G110 PolarHBondContact O-N 3.39Å; H108-G110 VanDerWaalsContact O-N 3.14Å; G110-R112 PolarHBondContact O-N 3.18Å
111A49.9Very low46.2Very low98 Ų98147.8 Ų147.881%0.8182%0.821SS**  trans-49.8117.917100000111.1
112R40.6Very low46.2Very low247 Ų247152.1 Ų152.193%0.93284%0.84SS**  trans-107.879.8165.7-127.9-175.8-152.6-110.84.3108.5G110 G114G110-R112 PolarHBondContact O-N 3.18Å; R112-G114 PolarHBondContact O-N 3.44Å
113L50Low45.8Very low172 Ų172157.1 Ų157.190%0.90185%0.846SS**  trans-65.2104.6154.7-87.7147.6000106.7
114G37Very low45.4Very low63 Ų63155.1 Ų155.165%0.64984%0.844SS**  trans-92.6135.5173.400000111R112R112-G114 PolarHBondContact O-N 3.44Å
115P48.7Very low45.6Very low130 Ų130158.9 Ų158.984%0.84486%0.855SS**  trans-80.3127.2167.731.5-28.7000109A117P115-A117 PolarHBondContact O-N 2.81Å
116R48.9Very low45.8Very low255 Ų255162.5 Ų162.596%0.96287%0.866SS**  trans-92.597.3171-145.6-173.8-172.4-164.22.3108.5
117A45.5Very low45.4Very low96 Ų96161.8 Ų161.879%0.79386%0.863SS**  trans-91.9115.5161.900000108.7P115P115-A117 PolarHBondContact O-N 2.81Å
118R48.3Very low45.3Very low320 Ų320161 Ų161100%1.20887%0.869SS**  trans-171.10134.5-137.6178.3-152.2-121.92.7110.4

Retrieved 118 of 118 residues in 47.7 ms (Link to these results)