A0A077ZFS7_TRITR Loading...

Protein CBG04378

AlphaFold DB , UniProt , Accession A0A077ZFS7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low26.7Very low184 Ų184112.3 Ų112.391%0.90662%0.615SS**  019.90-131.4154.777.900114.1
2V27Very low26.9Very low111 Ų111110.8 Ų110.867%0.67362%0.619SS**  trans-81.4-18.4177.8179.50000112.2F5 L6V2-F5 PolarHBondContact O-N 3.32Å; V2-L6 HydrophobicContact CG1-CD1 4.27Å
3C22.8Very low27.3Very low104 Ų104107.7 Ų107.770%0.70361%0.609SS**SBendtrans-74.4-30-176.1-71.90000115F5 L6 S7C3-F5 PolarHBondContact O-N 3.22Å; C3-L6 PolarHBondContact O-N 3.39Å; C3-S7 PolarHBondContact O-N 3.01Å; C3-S7 PolarHBondContact O-OG 2.92Å
4A25.9Very low27.5Very low64 Ų64109 Ų10953%0.52961%0.605SS.*Hα-helixtrans-68.9-27.4176.700000112L6A4-L6 VanDerWaalsContact C-N 3.26Å; A4-L6 PolarHBondContact O-N 2.96Å
5F24.3Very low27.4Very low101 Ų101110.4 Ų110.444%0.44360%0.603SS.*Hα-helixtrans-73.7-11.4169.4-78.5-82.8000113.5V2 C3 F9 A55 M61V2-F5 PolarHBondContact O-N 3.32Å; C3-F5 PolarHBondContact O-N 3.22Å; F5-F9 WeakPolarHBondContact O-CB 3.4Å; F5-F9 WeakPolarHBondContact O-CD2 3.27Å; F5-F9 WeakPolarHBondContact O-CG 3.34Å; F5-A55 HydrophobicContact CE1-CB 4.5Å; F5-A55 HydrophobicContact CZ-CB 4.14Å; F5-M61 HydrophobicContact CE1-CE 4.14Å; F5-M61 HydrophobicContact CZ-CE 4.17Å
6L22.4Very low27.6Very low112 Ų112111.8 Ų111.859%0.58660%0.602SS**Hα-helixtrans-105.6-33.4179.2-94.6146000112.6V2 C3 A4 C8 F9 Y10V2-L6 HydrophobicContact CG1-CD1 4.27Å; C3-L6 PolarHBondContact O-N 3.39Å; A4-L6 VanDerWaalsContact C-N 3.26Å; A4-L6 PolarHBondContact O-N 2.96Å; L6-C8 VanDerWaalsContact C-N 3.34Å; L6-C8 PolarHBondContact O-N 3.06Å; L6-F9 CarbonylContact O-C 3.48Å; L6-F9 PolarHBondContact O-N 2.86Å; L6-Y10 PolarHBondContact O-N 2.96Å
7S24.5Very low27.5Very low91 Ų91116.9 Ų116.964%0.63662%0.617SS**Hα-helixtrans-69.8-29.6178.654.50000113.2C3C3-S7 PolarHBondContact O-N 3.01Å; C3-S7 PolarHBondContact O-OG 2.92Å
8C27.2Very low27.8Very low103 Ų103114.7 Ų114.770%0.69661%0.606SS**THydrogen-bonded Turntrans-84.8-17.2171.4-122.80000113.2L6 Y10L6-C8 VanDerWaalsContact C-N 3.34Å; L6-C8 PolarHBondContact O-N 3.06Å; C8-Y10 VanDerWaalsContact C-N 3.32Å
9F28Very low28.1Very low110 Ų110119.8 Ų119.848%0.48262%0.622SS.*THydrogen-bonded Turntrans-92.923.2175.5-84.9-99.6000113.1F5 L6 S11F5-F9 WeakPolarHBondContact O-CB 3.4Å; F5-F9 WeakPolarHBondContact O-CD2 3.27Å; F5-F9 WeakPolarHBondContact O-CG 3.34Å; L6-F9 CarbonylContact O-C 3.48Å; L6-F9 PolarHBondContact O-N 2.86Å; F9-S11 PolarHBondContact O-N 3.01Å
10Y26.3Very low28.6Very low219 Ų219117.9 Ų117.986%0.85962%0.624SS**  trans-72.126165.9-143.2-95.1000112.7L6 C8L6-Y10 PolarHBondContact O-N 2.96Å; C8-Y10 VanDerWaalsContact C-N 3.32Å
11S31.6Very low29.1Very low36 Ų36116.8 Ų116.825%0.25262%0.616SS.*SBendtrans-130113173.5-153.80000107F9 S13F9-S11 PolarHBondContact O-N 3.01Å; S11-S13 PolarHBondContact O-N 3.3Å
12S29Very low29.1Very low94 Ų94120.2 Ų120.266%0.65762%0.619SS**  trans-40.9110.3-176.6-53.80000112.1F14 H29S12-F14 PolarHBondContact O-N 3.31Å; S12-H29 PolarHBondContact O-CD2 2.87Å
13S31.5Very low29.7Very low71 Ų71118.8 Ų118.850%0.49760%0.604SS.*  trans-68.6101.4163.4-66.10000107.7S11 F15S11-S13 PolarHBondContact O-N 3.3Å; S13-F15 PolarHBondContact O-N 2.97Å
14F29.8Very low30.5Very low126 Ų126119.7 Ų119.755%0.55360%0.596SS**  trans-84.7112.4178.7-144.3-99.5000110.3S12 F16S12-F14 PolarHBondContact O-N 3.31Å; F14-F16 AromaticContact CD1-CD2 3.82Å; F14-F16 HydrophobicContact CD1-CD2 3.82Å; F14-F16 HydrophobicContact CD1-CE1 4.46Å; F14-F16 AromaticContact CD1-CE2 3.56Å; F14-F16 HydrophobicContact CD1-CE2 3.56Å; F14-F16 HydrophobicContact CD1-CG 4.39Å; F14-F16 AromaticContact CD1-CZ 3.92Å; F14-F16 HydrophobicContact CD1-CZ 3.92Å; F14-F16 HydrophobicContact CE1-CE1 4.36Å; F14-F16 HydrophobicContact CE1-CE2 4.19Å; F14-F16 HydrophobicContact CE1-CZ 4.07Å; F14-F16 HydrophobicContact CG-CE2 4.47Å; F14-F16 PolarHBondContact O-N 3.49Å
15F27.1Very low31.4Very low130 Ų130118.1 Ų118.157%0.5758%0.581SS**  trans-79.8101.4171.5-112.7-94.7000109.1S13 K17 F24 F26S13-F15 PolarHBondContact O-N 2.97Å; F15-K17 PolarHBondContact O-N 2.83Å; F15-K17 VanDerWaalsContact O-N 3.15Å; F15-F24 HydrophobicContact CE1-CD1 4.08Å; F15-F24 HydrophobicContact CE1-CE1 4.25Å; F15-F26 HydrophobicContact CE2-CE1 4.43Å; F15-F26 HydrophobicContact CZ-CE1 4.2Å
16F29.8Very low32.4Very low133 Ų133115.8 Ų115.858%0.58357%0.571SS**  trans-76.6102.2169.2-89-82.7000110.3F14 N18F14-F16 AromaticContact CD1-CD2 3.82Å; F14-F16 HydrophobicContact CD1-CD2 3.82Å; F14-F16 HydrophobicContact CD1-CE1 4.46Å; F14-F16 AromaticContact CD1-CE2 3.56Å; F14-F16 HydrophobicContact CD1-CE2 3.56Å; F14-F16 HydrophobicContact CD1-CG 4.39Å; F14-F16 AromaticContact CD1-CZ 3.92Å; F14-F16 HydrophobicContact CD1-CZ 3.92Å; F14-F16 HydrophobicContact CE1-CE1 4.36Å; F14-F16 HydrophobicContact CE1-CE2 4.19Å; F14-F16 HydrophobicContact CE1-CZ 4.07Å; F14-F16 HydrophobicContact CG-CE2 4.47Å; F14-F16 PolarHBondContact O-N 3.49Å; F16-N18 PolarHBondContact O-N 3.32Å; F16-N18 VanDerWaalsContact O-N 3.16Å
17K26.2Very low33.4Very low199 Ų199112 Ų11287%0.86555%0.551SS**  trans-80.883.1166-163.5177.1-174.1177.40108.5F15 K19F15-K17 PolarHBondContact O-N 2.83Å; F15-K17 VanDerWaalsContact O-N 3.15Å; K17-K19 PolarHBondContact O-N 2.9Å
18N33.6Very low34.4Very low77 Ų77109.7 Ų109.741%0.41253%0.531SS..  trans-69.6118.7170.9-163.6-60.7000109F16 A20F16-N18 PolarHBondContact O-N 3.32Å; F16-N18 VanDerWaalsContact O-N 3.16Å; N18-A20 VanDerWaalsContact C-N 3.28Å; N18-A20 PolarHBondContact O-N 3.01Å; N18-A20 PolarHBondContact OD1-N 3Å; N18-A20 VanDerWaalsContact OD1-N 3.13Å
19K33.6Very low35.1Very low211 Ų211106.7 Ų106.792%0.91751%0.507SS*.SBendtrans-72.4-20.3-172.7-145.3179.2-173.8-178.40112.8K17K17-K19 PolarHBondContact O-N 2.9Å
20A38Very low35.5Very low81 Ų81102 Ų10267%0.66949%0.488SS*.SBendtrans-83.9-29-175.800000113.2N18N18-A20 VanDerWaalsContact C-N 3.28Å; N18-A20 PolarHBondContact O-N 3.01Å; N18-A20 PolarHBondContact OD1-N 3Å; N18-A20 VanDerWaalsContact OD1-N 3.13Å
21E37.7Very low36.1Very low95 Ų9599.1 Ų99.144%0.44448%0.48SS..SBendtrans-144.9121.1178.8-65.4-174.1179.500108.8K23E21-K23 HydrophobicContact CB-CD 4.33Å; E21-K23 HydrophobicContact CB-CG 4.2Å; E21-K23 PolarHBondContact O-N 3.12Å; E21-K23 WeakPolarHBondContact OE2-CE 3.36Å; E21-K23 IonicContact OE2-NZ 2.62Å; E21-K23 PolarHBondContact OE2-NZ 3.06Å
22R35.6Very low36.4Very low257 Ų257101 Ų10197%0.9749%0.493SS*.  trans-64.168.5178.7-64-178.6-177174.80.7111.8
23K39.7Very low37.1Very low81 Ų8197.8 Ų97.835%0.35248%0.475SS..  trans-96.8123.8176.9-68.6175.1177.2158.50108.7E21 S25E21-K23 HydrophobicContact CB-CD 4.33Å; E21-K23 HydrophobicContact CB-CG 4.2Å; E21-K23 PolarHBondContact O-N 3.12Å; E21-K23 WeakPolarHBondContact OE2-CE 3.36Å; E21-K23 IonicContact OE2-NZ 2.62Å; E21-K23 PolarHBondContact OE2-NZ 3.06Å; K23-S25 PolarHBondContact O-N 2.97Å
24F39.3Very low37.7Very low122 Ų12299.6 Ų99.654%0.53548%0.475SS..EExtended strand (participates in β ladder)trans-81.1110.9164.6-79.5-86.5000107.5F15 S38 L39F15-F24 HydrophobicContact CE1-CD1 4.08Å; F15-F24 HydrophobicContact CE1-CE1 4.25Å; F24-S38 CarbonylContact O-C 3.51Å; F24-L39 PolarHBondContact O-N 3.09Å
25S43.8Very low38.5Very low31 Ų3194.3 Ų94.322%0.21746%0.456CS..EExtended strand (participates in β ladder)trans-114119.7173.4-630000109.1K23 F37 S38K23-S25 PolarHBondContact O-N 2.97Å; S25-F37 CarbonylContact C-O 3.48Å; S25-F37 VanDerWaalsContact CA-O 3.24Å; S25-F37 WeakPolarHBondContact CA-O 3.31Å; S25-S38 WeakPolarHBondContact OG-CB 3.28Å; S25-S38 PolarHBondContact OG-OG 3.5Å
26F47Very low39.5Very low53 Ų5393.7 Ų93.723%0.23246%0.458CS..EExtended strand (participates in β ladder)trans-93.4123171.4-69.7-85.1000108.8F15 F37 L39 F48F15-F26 HydrophobicContact CE2-CE1 4.43Å; F15-F26 HydrophobicContact CZ-CE1 4.2Å; F26-F37 PolarHBondContact N-O 3.14Å; F26-F37 PolarHBondContact O-N 3.36Å; F26-L39 HydrophobicContact CD2-CD1 3.7Å; F26-L39 HydrophobicContact CD2-CG 4.11Å; F26-L39 HydrophobicContact CE2-CD1 3.72Å; F26-L39 HydrophobicContact CE2-CG 4.45Å; F26-F48 HydrophobicContact CE1-CE2 4.42Å; F26-F48 HydrophobicContact CZ-CE2 4.25Å; F26-F48 HydrophobicContact CZ-CZ 4.49Å
27L41.4Very low40.5Very low33 Ų3389 Ų8917%0.17344%0.437CS..EExtended strand (participates in β ladder)trans-98.1102.8171175.566.8000107.1H29 I36L27-H29 WeakPolarHBondContact CD2-NE2 3.41Å; L27-H29 WeakPolarHBondContact CG-NE2 3.44Å; L27-H29 PolarHBondContact O-N 2.83Å; L27-I36 HydrophobicContact CD1-CB 4.48Å; L27-I36 HydrophobicContact CD1-CD1 4.01Å; L27-I36 HydrophobicContact CD1-CG1 3.26Å; L27-I36 HydrophobicContact CG-CG1 4.46Å
28L46.9Very low41.5Very low41 Ų4182.2 Ų82.222%0.21542%0.415CS..EExtended strand (participates in β ladder)trans-82.1107.1172-62.9-176.2000108.4G35 F37L28-G35 PolarHBondContact N-O 3.26Å; L28-G35 PolarHBondContact O-N 3.17Å; L28-F37 HydrophobicContact CB-CE2 4.5Å; L28-F37 HydrophobicContact CD1-CD2 4.07Å; L28-F37 HydrophobicContact CD1-CE2 3.75Å; L28-F37 HydrophobicContact CG-CD2 4.16Å; L28-F37 HydrophobicContact CG-CE2 4.18Å
29H40.8Very low42.3Very low41 Ų4179.9 Ų79.919%0.1940%0.402CS..EExtended strand (participates in β ladder)trans-82.3132.9169.3-72.7-82000110.5S12 L27 H34 R85S12-H29 PolarHBondContact O-CD2 2.87Å; L27-H29 WeakPolarHBondContact CD2-NE2 3.41Å; L27-H29 WeakPolarHBondContact CG-NE2 3.44Å; L27-H29 PolarHBondContact O-N 2.83Å; H29-H34 AromaticContact CE1-CD2 3.66Å; H29-H34 AromaticContact CE1-NE2 3.75Å; H29-H34 AromaticContact ND1-CD2 3.12Å; H29-H34 PolarHBondContact ND1-CD2 2.81Å; H29-H34 AromaticContact ND1-NE2 3.1Å; H29-H34 PolarHBondContact ND1-NE2 2.77Å; H29-R85 PolarHBondContact O-NH1 3.49Å
30S37.3Very low43.1Very low12 Ų1278.7 Ų78.78%0.08439%0.392CS..EExtended strand (participates in β ladder)trans-131.4154.7162.2-1720000110S32 G33 R85S30-S32 PolarHBondContact O-N 2.77Å; S30-S32 PolarHBondContact OG-N 3.1Å; S30-G33 WeakPolarHBondContact CB-O 3.37Å; S30-G33 PolarHBondContact N-O 3.41Å; S30-G33 PolarHBondContact O-N 3.18Å; S30-R85 WeakPolarHBondContact OG-CD 3.1Å; S30-R85 PolarHBondContact OG-NH1 2.03Å
31F38.4Very low44.1Very low158 Ų15882.7 Ų82.769%0.69339%0.39SS*.THydrogen-bonded Turntrans-51.6-31.1167-178.2-90.7000112.9
32S38.7Very low45.3Very low76 Ų7683 Ų8353%0.53140%0.4SS..THydrogen-bonded Turntrans-116.78.8-176.357.80000115.2S30S30-S32 PolarHBondContact O-N 2.77Å; S30-S32 PolarHBondContact OG-N 3.1Å
33G42.3Very low46.7Very low26 Ų2674.4 Ų74.427%0.26837%0.373SS..EExtended strand (participates in β ladder)trans178.5134.9-178.200000114.6S30 Q88S30-G33 WeakPolarHBondContact CB-O 3.37Å; S30-G33 PolarHBondContact N-O 3.41Å; S30-G33 PolarHBondContact O-N 3.18Å; G33-Q88 PolarHBondContact O-NE2 3.29Å; G33-Q88 VanDerWaalsContact O-NE2 3.17Å
34H44Very low48.1Very low109 Ų10971.1 Ų71.151%0.50536%0.36SS..EExtended strand (participates in β ladder)trans-103.6122.8176.1-69.887.1000109.7H29H29-H34 AromaticContact CE1-CD2 3.66Å; H29-H34 AromaticContact CE1-NE2 3.75Å; H29-H34 AromaticContact ND1-CD2 3.12Å; H29-H34 PolarHBondContact ND1-CD2 2.81Å; H29-H34 AromaticContact ND1-NE2 3.1Å; H29-H34 PolarHBondContact ND1-NE2 2.77Å
35G47.6Very low49.6Very low15 Ų1568.2 Ų68.216%0.15535%0.349CS..EExtended strand (participates in β ladder)trans-118.7116.7172.500000111.2L28L28-G35 PolarHBondContact N-O 3.26Å; L28-G35 PolarHBondContact O-N 3.17Å
36I48.6Very low51.3Low117 Ų11770.9 Ų70.960%0.636%0.358SS*.EExtended strand (participates in β ladder)trans-96115.9169.7-63.8167.5000108.2L27L27-I36 HydrophobicContact CD1-CB 4.48Å; L27-I36 HydrophobicContact CD1-CD1 4.01Å; L27-I36 HydrophobicContact CD1-CG1 3.26Å; L27-I36 HydrophobicContact CG-CG1 4.46Å
37F50.4Low52.6Low33 Ų3369.7 Ų69.715%0.14535%0.353CS..EExtended strand (participates in β ladder)trans-113.1107.5177.9-62.5-83.1000110S25 F26 L28 L39 T91 L95S25-F37 CarbonylContact C-O 3.48Å; S25-F37 VanDerWaalsContact CA-O 3.24Å; S25-F37 WeakPolarHBondContact CA-O 3.31Å; F26-F37 PolarHBondContact N-O 3.14Å; F26-F37 PolarHBondContact O-N 3.36Å; L28-F37 HydrophobicContact CB-CE2 4.5Å; L28-F37 HydrophobicContact CD1-CD2 4.07Å; L28-F37 HydrophobicContact CD1-CE2 3.75Å; L28-F37 HydrophobicContact CG-CD2 4.16Å; L28-F37 HydrophobicContact CG-CE2 4.18Å; F37-L39 HydrophobicContact CB-CD2 4.39Å; F37-L39 PolarHBondContact O-N 3.3Å; F37-T91 HydrophobicContact CD1-CG2 4.06Å; F37-T91 HydrophobicContact CD2-CG2 4.34Å; F37-T91 HydrophobicContact CE1-CG2 3.6Å; F37-T91 HydrophobicContact CE2-CG2 3.92Å; F37-T91 HydrophobicContact CG-CG2 4.41Å; F37-T91 HydrophobicContact CZ-CG2 3.52Å; F37-L95 HydrophobicContact CD1-CD2 3.73Å; F37-L95 HydrophobicContact CE1-CD2 3.63Å
38S47.5Very low54.3Low58 Ų5871.4 Ų71.441%0.40636%0.359SS..EExtended strand (participates in β ladder)trans-87.1100.3171.2-158.20000110.4F24 S25 R40F24-S38 CarbonylContact O-C 3.51Å; S25-S38 WeakPolarHBondContact OG-CB 3.28Å; S25-S38 PolarHBondContact OG-OG 3.5Å; S38-R40 PolarHBondContact O-N 3.24Å; S38-R40 VanDerWaalsContact O-N 3.13Å
39L50.1Low56Low27 Ų2776.1 Ų76.114%0.14138%0.375CS..EExtended strand (participates in β ladder)trans-82.388175.7-50.7-177.1000108.8F24 F26 F37 C44 M45 F48F24-L39 PolarHBondContact O-N 3.09Å; F26-L39 HydrophobicContact CD2-CD1 3.7Å; F26-L39 HydrophobicContact CD2-CG 4.11Å; F26-L39 HydrophobicContact CE2-CD1 3.72Å; F26-L39 HydrophobicContact CE2-CG 4.45Å; F37-L39 HydrophobicContact CB-CD2 4.39Å; F37-L39 PolarHBondContact O-N 3.3Å; L39-C44 HydrophobicContact CB-CB 3.94Å; L39-C44 HydrophobicContact CD2-CB 3.68Å; L39-C44 HydrophobicContact CG-CB 4.3Å; L39-M45 HydrophobicContact CB-SD 4.33Å; L39-M45 HydrophobicContact CD1-SD 4.14Å; L39-F48 HydrophobicContact CD1-CB 4Å; L39-F48 HydrophobicContact CD1-CG 4.49Å
40R50.4Low57.9Low187 Ų18780.5 Ų80.571%0.70639%0.39SS*.  trans-89.1-26.5172.8-175.7176.3177.41683.2113S38S38-R40 PolarHBondContact O-N 3.24Å; S38-R40 VanDerWaalsContact O-N 3.13Å
41R58.9Low60Low165 Ų16581.5 Ų81.562%0.62339%0.394SS*.SBendtrans-97.5143-168.7-60.8-84.9-138.1126.97.4111.1N43 C44 M45R41-N43 PolarHBondContact O-N 2.88Å; R41-C44 HydrophobicContact CB-CB 4.26Å; R41-C44 WeakPolarHBondContact O-CA 3.06Å; R41-C44 VanDerWaalsContact O-CB 3.25Å; R41-C44 WeakPolarHBondContact O-CB 3.29Å; R41-C44 PolarHBondContact O-N 3.21Å; R41-M45 PolarHBondContact O-N 3.42Å
42P62.5Low62.1Low101 Ų10177.8 Ų77.866%0.65638%0.381SS*.Hα-helixtrans-54.6-36.8170.520.9-31.3000112C44 M45 E46P42-C44 PolarHBondContact O-N 3.12Å; P42-M45 WeakPolarHBondContact O-CB 3.26Å; P42-M45 PolarHBondContact O-N 2.89Å; P42-M45 VanDerWaalsContact O-N 3.09Å; P42-E46 PolarHBondContact O-N 3.42Å; P42-E46 VanDerWaalsContact O-N 3.14Å
43N66.1Low64.3Low76 Ų7677.9 Ų77.941%0.40638%0.382SS..Hα-helixtrans-63.5-27.1175.9-53.811.7000112.9R41 E46 Q47 L98R41-N43 PolarHBondContact O-N 2.88Å; N43-E46 WeakPolarHBondContact O-CB 3.36Å; N43-Q47 WeakPolarHBondContact O-CG 3.48Å; N43-Q47 PolarHBondContact O-N 3.48Å; N43-L98 HydrophobicContact CB-CD1 3.82Å; N43-L98 HydrophobicContact CB-CD2 4.27Å
44C67.8Low66.3Low12 Ų1277.3 Ų77.38%0.08137%0.373CS..Hα-helixtrans-75-35.3175.3-68.50000111.5L39 R41 P42 E46 Q47 F48L39-C44 HydrophobicContact CB-CB 3.94Å; L39-C44 HydrophobicContact CD2-CB 3.68Å; L39-C44 HydrophobicContact CG-CB 4.3Å; R41-C44 HydrophobicContact CB-CB 4.26Å; R41-C44 WeakPolarHBondContact O-CA 3.06Å; R41-C44 VanDerWaalsContact O-CB 3.25Å; R41-C44 WeakPolarHBondContact O-CB 3.29Å; R41-C44 PolarHBondContact O-N 3.21Å; P42-C44 PolarHBondContact O-N 3.12Å; C44-E46 VanDerWaalsContact C-N 3.29Å; C44-E46 PolarHBondContact O-N 2.99Å; C44-Q47 WeakPolarHBondContact O-CB 3.49Å; C44-Q47 PolarHBondContact O-N 2.88Å; C44-Q47 VanDerWaalsContact O-N 3.17Å; C44-F48 PolarHBondContact O-N 2.97Å
45M71.6Confident68.1Low61 Ų6173.2 Ų73.230%0.336%0.358SS..Hα-helixtrans-64.4-36.8172.4-68.3-57.5-57.700111.4L39 R41 P42 Q47 F48 Y49L39-M45 HydrophobicContact CB-SD 4.33Å; L39-M45 HydrophobicContact CD1-SD 4.14Å; R41-M45 PolarHBondContact O-N 3.42Å; P42-M45 WeakPolarHBondContact O-CB 3.26Å; P42-M45 PolarHBondContact O-N 2.89Å; P42-M45 VanDerWaalsContact O-N 3.09Å; M45-Q47 VanDerWaalsContact C-N 3.29Å; M45-Q47 PolarHBondContact O-N 3.25Å; M45-F48 HydrophobicContact CE-CD1 4.42Å; M45-F48 WeakPolarHBondContact O-CB 3.45Å; M45-F48 PolarHBondContact O-N 3.13Å; M45-F48 VanDerWaalsContact O-N 3.15Å; M45-Y49 HydrophobicContact CB-CE2 4.46Å; M45-Y49 WeakPolarHBondContact O-CD2 3.44Å; M45-Y49 PolarHBondContact O-N 2.62Å
46E78.2Confident70Confident87 Ų8779.3 Ų79.341%0.40739%0.387SS..Hα-helixtrans-58.5-41.3171.4-164.4-164.2144.100112P42 N43 C44 F48 Y49 R50P42-E46 PolarHBondContact O-N 3.42Å; P42-E46 VanDerWaalsContact O-N 3.14Å; N43-E46 WeakPolarHBondContact O-CB 3.36Å; C44-E46 VanDerWaalsContact C-N 3.29Å; C44-E46 PolarHBondContact O-N 2.99Å; E46-F48 VanDerWaalsContact C-N 3.32Å; E46-F48 PolarHBondContact O-N 2.94Å; E46-Y49 PolarHBondContact O-N 3.36Å; E46-R50 WeakPolarHBondContact O-CG 3.38Å; E46-R50 PolarHBondContact O-N 3.44Å; E46-R50 IonicContact OE1-CZ 3.42Å; E46-R50 IonicContact OE1-NE 3.18Å; E46-R50 PolarHBondContact OE1-NE 3.25Å; E46-R50 IonicContact OE1-NH2 2.77Å; E46-R50 PolarHBondContact OE1-NH2 2.94Å
47Q76.1Confident71.8Confident28 Ų2879.3 Ų79.313%0.13138%0.384CS..Hα-helixtrans-65-37.4175.4-55.9-46.2-50.600112.1N43 C44 M45 Y49 R50 L51 L94 L98N43-Q47 WeakPolarHBondContact O-CG 3.48Å; N43-Q47 PolarHBondContact O-N 3.48Å; C44-Q47 WeakPolarHBondContact O-CB 3.49Å; C44-Q47 PolarHBondContact O-N 2.88Å; C44-Q47 VanDerWaalsContact O-N 3.17Å; M45-Q47 VanDerWaalsContact C-N 3.29Å; M45-Q47 PolarHBondContact O-N 3.25Å; Q47-Y49 VanDerWaalsContact C-N 3.34Å; Q47-Y49 PolarHBondContact O-N 2.84Å; Q47-R50 WeakPolarHBondContact O-CB 3.25Å; Q47-R50 PolarHBondContact O-N 3.21Å; Q47-L51 WeakPolarHBondContact O-CG 3.45Å; Q47-L51 PolarHBondContact O-N 3.5Å; Q47-L94 HydrophobicContact CB-CB 4.44Å; Q47-L94 HydrophobicContact CG-CB 4.49Å; Q47-L98 HydrophobicContact CG-CD2 3.78Å
48F75.5Confident73.4Confident69 Ų6984 Ų8430%0.30341%0.407SS..Hα-helixtrans-61.6-42.7173.9179.1-98.2000111.9F26 L39 C44 M45 E46 R50 L51 L52F26-F48 HydrophobicContact CE1-CE2 4.42Å; F26-F48 HydrophobicContact CZ-CE2 4.25Å; F26-F48 HydrophobicContact CZ-CZ 4.49Å; L39-F48 HydrophobicContact CD1-CB 4Å; L39-F48 HydrophobicContact CD1-CG 4.49Å; C44-F48 PolarHBondContact O-N 2.97Å; M45-F48 HydrophobicContact CE-CD1 4.42Å; M45-F48 WeakPolarHBondContact O-CB 3.45Å; M45-F48 PolarHBondContact O-N 3.13Å; M45-F48 VanDerWaalsContact O-N 3.15Å; E46-F48 VanDerWaalsContact C-N 3.32Å; E46-F48 PolarHBondContact O-N 2.94Å; F48-R50 VanDerWaalsContact C-N 3.31Å; F48-R50 PolarHBondContact O-N 3.03Å; F48-L51 WeakPolarHBondContact O-CB 3.42Å; F48-L51 PolarHBondContact O-N 3.25Å; F48-L52 WeakPolarHBondContact O-CB 3.22Å; F48-L52 PolarHBondContact O-N 3.46Å
49Y83Confident75.2Confident140 Ų14085.3 Ų85.355%0.54941%0.409SS..Hα-helixtrans-62.4-39.1174.4-70.3-60.5000112.1M45 E46 Q47 L51 L52 S53M45-Y49 HydrophobicContact CB-CE2 4.46Å; M45-Y49 WeakPolarHBondContact O-CD2 3.44Å; M45-Y49 PolarHBondContact O-N 2.62Å; E46-Y49 PolarHBondContact O-N 3.36Å; Q47-Y49 VanDerWaalsContact C-N 3.34Å; Q47-Y49 PolarHBondContact O-N 2.84Å; Y49-L51 PolarHBondContact O-N 2.83Å; Y49-L52 PolarHBondContact O-N 3Å; Y49-S53 WeakPolarHBondContact O-CB 3.38Å; Y49-S53 PolarHBondContact O-N 3.06Å; Y49-S53 PolarHBondContact O-OG 3.4Å; Y49-S53 VanDerWaalsContact O-OG 3.09Å
50R81.8Confident76.8Confident134 Ų13486.4 Ų86.451%0.50642%0.418SS..Hα-helixtrans-62.1-41.7174.4-68.9170.8-178.1-93.70.9112.3E46 Q47 F48 S53 C54 L94E46-R50 WeakPolarHBondContact O-CG 3.38Å; E46-R50 PolarHBondContact O-N 3.44Å; E46-R50 IonicContact OE1-CZ 3.42Å; E46-R50 IonicContact OE1-NE 3.18Å; E46-R50 PolarHBondContact OE1-NE 3.25Å; E46-R50 IonicContact OE1-NH2 2.77Å; E46-R50 PolarHBondContact OE1-NH2 2.94Å; Q47-R50 WeakPolarHBondContact O-CB 3.25Å; Q47-R50 PolarHBondContact O-N 3.21Å; F48-R50 VanDerWaalsContact C-N 3.31Å; F48-R50 PolarHBondContact O-N 3.03Å; R50-S53 PolarHBondContact O-N 2.93Å; R50-C54 PolarHBondContact O-N 2.77Å; R50-L94 HydrophobicContact CB-CD1 4.12Å
51L80Confident78.2Confident32 Ų3279.7 Ų79.717%0.16840%0.396CS..Hα-helixtrans-62-46.4173.8-72.6166.5000111.7Q47 F48 Y49 S53 C54 A55 I90 T91 L94Q47-L51 WeakPolarHBondContact O-CG 3.45Å; Q47-L51 PolarHBondContact O-N 3.5Å; F48-L51 WeakPolarHBondContact O-CB 3.42Å; F48-L51 PolarHBondContact O-N 3.25Å; Y49-L51 PolarHBondContact O-N 2.83Å; L51-S53 PolarHBondContact O-N 2.74Å; L51-C54 WeakPolarHBondContact O-CB 3.19Å; L51-C54 PolarHBondContact O-N 3.42Å; L51-A55 PolarHBondContact O-N 2.97Å; L51-I90 HydrophobicContact CD2-CB 3.95Å; L51-I90 HydrophobicContact CD2-CG2 3.52Å; L51-T91 HydrophobicContact CD1-CG2 4.13Å; L51-T91 WeakPolarHBondContact CD1-OG1 3.1Å; L51-T91 WeakPolarHBondContact CD2-OG1 3.15Å; L51-L94 HydrophobicContact CD2-CD1 3.89Å; L51-L94 HydrophobicContact CG-CD1 3.79Å
52L83.1Confident79.3Confident81 Ų8175.4 Ų75.442%0.42439%0.391SS..Hα-helixtrans-63.6-41.1178.1-177.461.8000111.7F48 Y49 C54 A55 L56F48-L52 WeakPolarHBondContact O-CB 3.22Å; F48-L52 PolarHBondContact O-N 3.46Å; Y49-L52 PolarHBondContact O-N 3Å; L52-C54 VanDerWaalsContact C-N 3.34Å; L52-C54 PolarHBondContact O-N 2.69Å; L52-A55 WeakPolarHBondContact O-CA 3.39Å; L52-A55 WeakPolarHBondContact O-CB 2.83Å; L52-A55 PolarHBondContact O-N 3.15Å; L52-A55 VanDerWaalsContact O-N 3.08Å; L52-L56 WeakPolarHBondContact O-CG 3.38Å; L52-L56 PolarHBondContact O-N 2.88Å
53S85.4Confident80.2Confident78 Ų7872 Ų7255%0.54537%0.369SS..Hα-helixtrans-61.9-41.5174.6-66.50000111.9Y49 R50 L51 A55 L56 E57Y49-S53 WeakPolarHBondContact O-CB 3.38Å; Y49-S53 PolarHBondContact O-N 3.06Å; Y49-S53 PolarHBondContact O-OG 3.4Å; Y49-S53 VanDerWaalsContact O-OG 3.09Å; R50-S53 PolarHBondContact O-N 2.93Å; L51-S53 PolarHBondContact O-N 2.74Å; S53-A55 PolarHBondContact O-N 3.29Å; S53-L56 PolarHBondContact O-N 3.3Å; S53-E57 PolarHBondContact O-N 3.46Å
54C83.1Confident81Confident13 Ų1373.5 Ų73.59%0.08838%0.382CS..Hα-helixtrans-63.6-31.4172.6-178.10000112.2R50 L51 L52 L56 E57 C60 I90R50-C54 PolarHBondContact O-N 2.77Å; L51-C54 WeakPolarHBondContact O-CB 3.19Å; L51-C54 PolarHBondContact O-N 3.42Å; L52-C54 VanDerWaalsContact C-N 3.34Å; L52-C54 PolarHBondContact O-N 2.69Å; C54-L56 VanDerWaalsContact C-N 3.25Å; C54-L56 PolarHBondContact O-N 3.11Å; C54-E57 PolarHBondContact O-N 3.28Å; C54-C60 VanDerWaalsContact CA-SG 3.51Å; C54-C60 HydrophobicContact CB-CB 4.11Å; C54-C60 WeakPolarHBondContact CB-SG 3.3Å; C54-C60 VanDerWaalsContact O-CB 3.3Å; C54-C60 WeakPolarHBondContact O-CB 3.45Å; C54-C60 VanDerWaalsContact SG-C 3.59Å; C54-C60 WeakPolarHBondContact SG-CB 3.08Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 2.96Å; C54-I90 WeakPolarHBondContact SG-CD1 3.23Å
55A82.7Confident81.8Confident23 Ų2380 Ų8019%0.1941%0.411CS..Hα-helixtrans-64.3-30.1175.300000114.6F5 L51 L52 S53 M61F5-A55 HydrophobicContact CE1-CB 4.5Å; F5-A55 HydrophobicContact CZ-CB 4.14Å; L51-A55 PolarHBondContact O-N 2.97Å; L52-A55 WeakPolarHBondContact O-CA 3.39Å; L52-A55 WeakPolarHBondContact O-CB 2.83Å; L52-A55 PolarHBondContact O-N 3.15Å; L52-A55 VanDerWaalsContact O-N 3.08Å; S53-A55 PolarHBondContact O-N 3.29Å; A55-M61 HydrophobicContact CB-CE 3.03Å
56L87Confident82.3Confident143 Ų14378.7 Ų78.775%0.74941%0.41SS*.Hα-helixtrans-85.7-17.1-175.9-65.5172.8000112.4L52 S53 C54L52-L56 WeakPolarHBondContact O-CG 3.38Å; L52-L56 PolarHBondContact O-N 2.88Å; S53-L56 PolarHBondContact O-N 3.3Å; C54-L56 VanDerWaalsContact C-N 3.25Å; C54-L56 PolarHBondContact O-N 3.11Å
57E87.2Confident82.5Confident118 Ų11879.1 Ų79.155%0.55142%0.419SS*.SBendtrans-89.2124.5175.7-175.359.4-128.400110S53 C54 N59 C60S53-E57 PolarHBondContact O-N 3.46Å; C54-E57 PolarHBondContact O-N 3.28Å; E57-N59 VanDerWaalsContact C-N 3.29Å; E57-N59 PolarHBondContact O-N 2.97Å; E57-C60 HydrophobicContact CB-CB 3.79Å; E57-C60 HydrophobicContact CG-CB 4.04Å; E57-C60 PolarHBondContact O-N 3.47Å
58E83.9Confident82.6Confident132 Ų13286.2 Ų86.262%0.61746%0.457SS*.Hα-helixtrans-53.2-46-171.5-177.5174.3-171.900112.2
59N85.3Confident82.6Confident84 Ų8490.5 Ų90.545%0.44948%0.48SS..Hα-helixtrans-93.91.4-172.8-63.4-59000114.3E57E57-N59 VanDerWaalsContact C-N 3.29Å; E57-N59 PolarHBondContact O-N 2.97Å
60C83Confident82.3Confident50 Ų5085.8 Ų85.834%0.33847%0.467SS..Hα-helixtrans-84.2-49.7-174.1-172.80000112.3C54 E57C54-C60 VanDerWaalsContact CA-SG 3.51Å; C54-C60 HydrophobicContact CB-CB 4.11Å; C54-C60 WeakPolarHBondContact CB-SG 3.3Å; C54-C60 VanDerWaalsContact O-CB 3.3Å; C54-C60 WeakPolarHBondContact O-CB 3.45Å; C54-C60 VanDerWaalsContact SG-C 3.59Å; C54-C60 WeakPolarHBondContact SG-CB 3.08Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 2.96Å; E57-C60 HydrophobicContact CB-CB 3.79Å; E57-C60 HydrophobicContact CG-CB 4.04Å; E57-C60 PolarHBondContact O-N 3.47Å
61M79.5Confident82.2Confident47 Ų4788.4 Ų88.423%0.23248%0.482CS..Hα-helixtrans-92.3-13.1173.4-75.6-144.7-90.700114.1F5 A55 Y86 D87 I90F5-M61 HydrophobicContact CE1-CE 4.14Å; F5-M61 HydrophobicContact CZ-CE 4.17Å; A55-M61 HydrophobicContact CB-CE 3.03Å; M61-Y86 WeakPolarHBondContact O-CD2 3.3Å; M61-D87 HydrophobicContact SD-CB 3.65Å; M61-I90 HydrophobicContact CG-CD1 4.5Å
62S81.6Confident82.2Confident74 Ų7491.1 Ų91.152%0.51749%0.492SS..SBendtrans-133.574.7-179.8-178.20000109
63T81.7Confident82.1Confident31 Ų3190.8 Ų90.819%0.1949%0.494CS..  trans-58.6157.5174.869.30000110.6E65 A66 Y86T63-E65 WeakPolarHBondContact CB-OE2 3.48Å; T63-E65 PolarHBondContact O-N 2.81Å; T63-E65 VanDerWaalsContact O-N 3.07Å; T63-E65 PolarHBondContact OG1-OE2 2.78Å; T63-A66 WeakPolarHBondContact O-CB 3.45Å; T63-A66 PolarHBondContact O-N 3.45Å; T63-A66 PolarHBondContact OG1-N 3.41Å; T63-Y86 HydrophobicContact CG2-CE1 4.26Å; T63-Y86 PolarHBondContact OG1-OH 3.32Å
64P84Confident81.9Confident106 Ų10695.4 Ų95.469%0.68851%0.512SS*.THydrogen-bonded Turntrans-55.4-27.3178.6-27.236000114.3
65E84Confident81.7Confident149 Ų14997.7 Ų97.770%0.69652%0.524SS*.THydrogen-bonded Turntrans-88.2-6177.8-50.276.9-167.500113.3T63T63-E65 WeakPolarHBondContact CB-OE2 3.48Å; T63-E65 PolarHBondContact O-N 2.81Å; T63-E65 VanDerWaalsContact O-N 3.07Å; T63-E65 PolarHBondContact OG1-OE2 2.78Å
66A81.8Confident81Confident33 Ų3399.5 Ų99.527%0.27353%0.534SS..  trans-67.8134.3-176.600000111.6T63 Y86T63-A66 WeakPolarHBondContact O-CB 3.45Å; T63-A66 PolarHBondContact O-N 3.45Å; T63-A66 PolarHBondContact OG1-N 3.41Å; A66-Y86 HydrophobicContact CB-CD2 4.4Å; A66-Y86 HydrophobicContact CB-CE2 3.67Å
67T81.7Confident80.2Confident97 Ų97101.9 Ų101.960%0.59554%0.538SS*.  trans-105146.8174.961.90000111M69T67-M69 VanDerWaalsContact C-N 3.28Å; T67-M69 PolarHBondContact O-N 3.13Å; T67-M69 PolarHBondContact OG1-O 3.25Å; T67-M69 VanDerWaalsContact OG1-O 3.14Å
68L78.3Confident79.5Confident176 Ų176102.3 Ų102.392%0.92154%0.544SS*.SBendtrans-72.7-22.9175.6-72.7171.8000113.2
69M76.3Confident79.1Confident160 Ų16099.8 Ų99.879%0.78854%0.535SS*.SBendtrans-129.8132.5-175.2-68.8-67.3-168.800109.8T67T67-M69 VanDerWaalsContact C-N 3.28Å; T67-M69 PolarHBondContact O-N 3.13Å; T67-M69 PolarHBondContact OG1-O 3.25Å; T67-M69 VanDerWaalsContact OG1-O 3.14Å
70C77.2Confident78.6Confident41 Ų41102.6 Ų102.628%0.27754%0.54SS..  trans-87.1144.2170-56.80000110F72 C83C70-F72 HydrophobicContact CB-CD2 4.29Å; C70-F72 HydrophobicContact CB-CE1 4.35Å; C70-F72 HydrophobicContact CB-CE2 3.58Å; C70-F72 HydrophobicContact CB-CZ 3.6Å; C70-C83 WeakPolarHBondContact CA-SG 3.42Å; C70-C83 HydrophobicContact CB-CB 3.45Å; C70-C83 VanDerWaalsContact CB-CB 3.45Å; C70-C83 WeakPolarHBondContact CB-SG 3.38Å; C70-C83 WeakPolarHBondContact SG-CB 3.24Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 3.46Å
71K79.8Confident78.2Confident189 Ų189101.1 Ų101.182%0.82253%0.532SS*.  trans-95.7113.9171-68.6-179.5-178.4175.40108.3A81K71-A81 WeakPolarHBondContact O-CB 3.47Å
72F79.9Confident78.1Confident89 Ų89105.4 Ų105.439%0.3956%0.556SS.*  trans-96.6146.7175.5-60.4-83.3000109.7C70 P76 A81C70-F72 HydrophobicContact CB-CD2 4.29Å; C70-F72 HydrophobicContact CB-CE1 4.35Å; C70-F72 HydrophobicContact CB-CE2 3.58Å; C70-F72 HydrophobicContact CB-CZ 3.6Å; F72-P76 HydrophobicContact CB-CB 4.15Å; F72-P76 HydrophobicContact CD1-CB 3.99Å; F72-P76 HydrophobicContact CG-CB 4.33Å; F72-A81 HydrophobicContact CD1-CB 3.63Å; F72-A81 HydrophobicContact CE1-CB 3.71Å; F72-A81 HydrophobicContact CG-CB 4.41Å
73T80.6Confident77.8Confident73 Ų73103.1 Ų103.145%0.44854%0.539SS..  trans-81.1-176.5167.8630000109.9D75 D79T73-D75 PolarHBondContact O-N 3.28Å; T73-D75 PolarHBondContact OG1-N 3.29Å; T73-D79 WeakPolarHBondContact CB-OD2 3.32Å; T73-D79 HydrophobicContact CG2-CB 4.16Å; T73-D79 WeakPolarHBondContact OG1-CB 3.37Å; T73-D79 VanDerWaalsContact OG1-CG 3.28Å; T73-D79 PolarHBondContact OG1-OD2 3.01Å
74D82Confident77.4Confident175 Ų175106.7 Ų106.794%0.93655%0.554SS**SBendtrans-63.3-20.4174.8-63.2-38.1000113.1P76D74-P76 VanDerWaalsContact C-CD 3.48Å; D74-P76 VanDerWaalsContact O-CD 3.27Å; D74-P76 WeakPolarHBondContact O-CD 3.38Å
75D78.5Confident76.8Confident61 Ų61104.6 Ų104.633%0.32653%0.532SS..  trans-115.874175.9-167.6-10.9000112.1T73 F77 N78 D79T73-D75 PolarHBondContact O-N 3.28Å; T73-D75 PolarHBondContact OG1-N 3.29Å; D75-F77 PolarHBondContact O-N 3.24Å; D75-F77 PolarHBondContact OD1-N 2.77Å; D75-N78 VanDerWaalsContact CG-ND2 3.27Å; D75-N78 PolarHBondContact O-N 3.32Å; D75-N78 PolarHBondContact OD1-N 2.75Å; D75-N78 PolarHBondContact OD1-ND2 3.05Å; D75-N78 WeakPolarHBondContact OD2-CB 3.16Å; D75-N78 PolarHBondContact OD2-ND2 3.49Å; D75-D79 WeakPolarHBondContact O-CB 3.4Å; D75-D79 PolarHBondContact O-N 3.26Å
76P67.4Low76.5Confident62 Ų62101.3 Ų101.340%0.40351%0.514SS..THydrogen-bonded Turntrans-66.4-9.6-17427.9-36.7000114.7F72 D74F72-P76 HydrophobicContact CB-CB 4.15Å; F72-P76 HydrophobicContact CD1-CB 3.99Å; F72-P76 HydrophobicContact CG-CB 4.33Å; D74-P76 VanDerWaalsContact C-CD 3.48Å; D74-P76 VanDerWaalsContact O-CD 3.27Å; D74-P76 WeakPolarHBondContact O-CD 3.38Å
77F71.5Confident76.1Confident193 Ų193102 Ų10285%0.84651%0.513SS*.THydrogen-bonded Turntrans-96-29.2-178.9-62-74.8000112.6D75D75-F77 PolarHBondContact O-N 3.24Å; D75-F77 PolarHBondContact OD1-N 2.77Å
78N72.6Confident75.6Confident127 Ų12799 Ų9968%0.67949%0.492SS*.THydrogen-bonded Turntrans-104.3-26.5178.9-60.4-59.3000112.9D75D75-N78 VanDerWaalsContact CG-ND2 3.27Å; D75-N78 PolarHBondContact O-N 3.32Å; D75-N78 PolarHBondContact OD1-N 2.75Å; D75-N78 PolarHBondContact OD1-ND2 3.05Å; D75-N78 WeakPolarHBondContact OD2-CB 3.16Å; D75-N78 PolarHBondContact OD2-ND2 3.49Å
79D74.4Confident75.4Confident79 Ų7992.4 Ų92.442%0.42246%0.461SS..SBendtrans-93.5128-179.9-68.2-21.4000111.8T73 D75 A81T73-D79 WeakPolarHBondContact CB-OD2 3.32Å; T73-D79 HydrophobicContact CG2-CB 4.16Å; T73-D79 WeakPolarHBondContact OG1-CB 3.37Å; T73-D79 VanDerWaalsContact OG1-CG 3.28Å; T73-D79 PolarHBondContact OG1-OD2 3.01Å; D75-D79 WeakPolarHBondContact O-CB 3.4Å; D75-D79 PolarHBondContact O-N 3.26Å; D79-A81 PolarHBondContact O-N 3.09Å
80Y74.9Confident75.4Confident142 Ų14286.7 Ų86.756%0.55743%0.433SS*.  trans-72118.6176.2177.7-117.9000110.9D82 H84Y80-D82 VanDerWaalsContact CE1-CA 3.47Å; Y80-D82 HydrophobicContact CE1-CB 4.25Å; Y80-D82 PolarHBondContact O-N 3.22Å; Y80-D82 VanDerWaalsContact O-N 3.12Å; Y80-H84 AromaticContact CE2-CE1 3.42Å; Y80-H84 VanDerWaalsContact CE2-CE1 3.42Å; Y80-H84 WeakPolarHBondContact CE2-CE1 3.45Å; Y80-H84 AromaticContact CE2-NE2 3.9Å; Y80-H84 AromaticContact CZ-CE1 3.74Å; Y80-H84 AromaticContact CZ-NE2 3.72Å; Y80-H84 PolarHBondContact OH-CD2 3.49Å; Y80-H84 PolarHBondContact OH-CE1 3.44Å; Y80-H84 VanDerWaalsContact OH-CE1 3.28Å; Y80-H84 PolarHBondContact OH-NE2 2.83Å
81A74.3Confident75.3Confident19 Ų1985.4 Ų85.416%0.15742%0.424CS..  trans-76.28.8-173.900000115.6K71 F72 D79 C83K71-A81 WeakPolarHBondContact O-CB 3.47Å; F72-A81 HydrophobicContact CD1-CB 3.63Å; F72-A81 HydrophobicContact CE1-CB 3.71Å; F72-A81 HydrophobicContact CG-CB 4.41Å; D79-A81 PolarHBondContact O-N 3.09Å; A81-C83 HydrophobicContact CB-CB 4.49Å; A81-C83 WeakPolarHBondContact O-CB 3.45Å; A81-C83 PolarHBondContact O-N 3.39Å
82D77.6Confident75Confident138 Ų13880.6 Ų80.674%0.73841%0.407SS*.SBendtrans47.435.5-173.7-161.433.4000113.7Y80Y80-D82 VanDerWaalsContact CE1-CA 3.47Å; Y80-D82 HydrophobicContact CE1-CB 4.25Å; Y80-D82 PolarHBondContact O-N 3.22Å; Y80-D82 VanDerWaalsContact O-N 3.12Å
83C75.9Confident75Confident26 Ų2681.2 Ų81.218%0.17641%0.414CS..  trans-152.7136.4-170.7-176.60000109.7C70 A81C70-C83 WeakPolarHBondContact CA-SG 3.42Å; C70-C83 HydrophobicContact CB-CB 3.45Å; C70-C83 VanDerWaalsContact CB-CB 3.45Å; C70-C83 WeakPolarHBondContact CB-SG 3.38Å; C70-C83 WeakPolarHBondContact SG-CB 3.24Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 3.46Å; A81-C83 HydrophobicContact CB-CB 4.49Å; A81-C83 WeakPolarHBondContact O-CB 3.45Å; A81-C83 PolarHBondContact O-N 3.39Å
84H72.1Confident75Confident105 Ų10579.3 Ų79.349%0.48640%0.401SS..  trans-129143.6-179.1-69-56.4000110.7Y80 Y86Y80-H84 AromaticContact CE2-CE1 3.42Å; Y80-H84 VanDerWaalsContact CE2-CE1 3.42Å; Y80-H84 WeakPolarHBondContact CE2-CE1 3.45Å; Y80-H84 AromaticContact CE2-NE2 3.9Å; Y80-H84 AromaticContact CZ-CE1 3.74Å; Y80-H84 AromaticContact CZ-NE2 3.72Å; Y80-H84 PolarHBondContact OH-CD2 3.49Å; Y80-H84 PolarHBondContact OH-CE1 3.44Å; Y80-H84 VanDerWaalsContact OH-CE1 3.28Å; Y80-H84 PolarHBondContact OH-NE2 2.83Å; H84-Y86 PolarHBondContact O-N 2.96Å
85R73.3Confident74.6Confident62 Ų6272 Ų7223%0.23436%0.362CS..  trans-83.2114160.4-48.6-147.8-39.1-164.12.6109.8H29 S30 D87 Q88 S89H29-R85 PolarHBondContact O-NH1 3.49Å; S30-R85 WeakPolarHBondContact OG-CD 3.1Å; S30-R85 PolarHBondContact OG-NH1 2.03Å; R85-D87 VanDerWaalsContact C-N 3.27Å; R85-D87 WeakPolarHBondContact CB-OD1 3.06Å; R85-D87 IonicContact CZ-OD1 3.26Å; R85-D87 IonicContact CZ-OD2 3.66Å; R85-D87 IonicContact NE-OD1 3.81Å; R85-D87 PolarHBondContact NE-OD1 3.48Å; R85-D87 IonicContact NE-OD2 3.83Å; R85-D87 IonicContact NH2-OD1 2.94Å; R85-D87 PolarHBondContact NH2-OD1 3.36Å; R85-D87 IonicContact NH2-OD2 3.83Å; R85-D87 PolarHBondContact NH2-OD2 3.48Å; R85-D87 PolarHBondContact O-N 3.45Å; R85-Q88 HydrophobicContact CB-CB 4.37Å; R85-Q88 HydrophobicContact CB-CG 4.49Å; R85-Q88 VanDerWaalsContact NH2-CG 3.27Å; R85-Q88 PolarHBondContact O-N 3.29Å; R85-S89 WeakPolarHBondContact O-CB 3.49Å; R85-S89 PolarHBondContact O-N 2.8Å; R85-S89 PolarHBondContact O-OG 3.16Å; R85-S89 VanDerWaalsContact O-OG 3.11Å
86Y76.2Confident74.4Confident81 Ų8169.6 Ų69.632%0.31835%0.35SS..Hα-helixtrans-60.6-35.4-179.3-66.5-79.7000112.7M61 T63 A66 H84 Q88 S89 I90M61-Y86 WeakPolarHBondContact O-CD2 3.3Å; T63-Y86 HydrophobicContact CG2-CE1 4.26Å; T63-Y86 PolarHBondContact OG1-OH 3.32Å; A66-Y86 HydrophobicContact CB-CD2 4.4Å; A66-Y86 HydrophobicContact CB-CE2 3.67Å; H84-Y86 PolarHBondContact O-N 2.96Å; Y86-Q88 PolarHBondContact O-N 2.9Å; Y86-S89 PolarHBondContact O-N 3.36Å; Y86-I90 WeakPolarHBondContact O-CB 3.5Å; Y86-I90 WeakPolarHBondContact O-CD1 3.47Å; Y86-I90 WeakPolarHBondContact O-CG1 3.49Å; Y86-I90 PolarHBondContact O-N 3.15Å
87D74Confident75Confident46 Ų4671.2 Ų71.225%0.24636%0.355CS..Hα-helixtrans-61.5-44.617871.5-35.6000112.8M61 R85 T91M61-D87 HydrophobicContact SD-CB 3.65Å; R85-D87 VanDerWaalsContact C-N 3.27Å; R85-D87 WeakPolarHBondContact CB-OD1 3.06Å; R85-D87 IonicContact CZ-OD1 3.26Å; R85-D87 IonicContact CZ-OD2 3.66Å; R85-D87 IonicContact NE-OD1 3.81Å; R85-D87 PolarHBondContact NE-OD1 3.48Å; R85-D87 IonicContact NE-OD2 3.83Å; R85-D87 IonicContact NH2-OD1 2.94Å; R85-D87 PolarHBondContact NH2-OD1 3.36Å; R85-D87 IonicContact NH2-OD2 3.83Å; R85-D87 PolarHBondContact NH2-OD2 3.48Å; R85-D87 PolarHBondContact O-N 3.45Å; D87-T91 WeakPolarHBondContact O-CB 3.46Å; D87-T91 PolarHBondContact O-N 3.06Å; D87-T91 PolarHBondContact O-OG1 3.01Å
88Q70.2Confident75.4Confident35 Ų3564.5 Ų64.516%0.16433%0.328CS..Hα-helixtrans-73.2-43.8177.2-70.4-174.4-38.700111.7G33 R85 Y86 T91 N92G33-Q88 PolarHBondContact O-NE2 3.29Å; G33-Q88 VanDerWaalsContact O-NE2 3.17Å; R85-Q88 HydrophobicContact CB-CB 4.37Å; R85-Q88 HydrophobicContact CB-CG 4.49Å; R85-Q88 VanDerWaalsContact NH2-CG 3.27Å; R85-Q88 PolarHBondContact O-N 3.29Å; Y86-Q88 PolarHBondContact O-N 2.9Å; Q88-T91 PolarHBondContact O-N 3.17Å; Q88-N92 VanDerWaalsContact O-CG 3.28Å; Q88-N92 PolarHBondContact O-N 3.32Å; Q88-N92 PolarHBondContact O-ND2 3.39Å
89S75.5Confident75.6Confident38 Ų3859.7 Ų59.727%0.26630%0.302SS..Hα-helixtrans-61.3-46.9-179.8-660000112R85 Y86 T91 N92 L93R85-S89 WeakPolarHBondContact O-CB 3.49Å; R85-S89 PolarHBondContact O-N 2.8Å; R85-S89 PolarHBondContact O-OG 3.16Å; R85-S89 VanDerWaalsContact O-OG 3.11Å; Y86-S89 PolarHBondContact O-N 3.36Å; S89-T91 VanDerWaalsContact C-N 3.33Å; S89-T91 PolarHBondContact O-N 3.03Å; S89-N92 PolarHBondContact O-N 3.33Å; S89-L93 WeakPolarHBondContact O-CG 3.03Å; S89-L93 PolarHBondContact O-N 2.59Å
90I76.6Confident75.9Confident39 Ų3958.5 Ų58.520%0.231%0.309CS..Hα-helixtrans-64.1-41.6178.2-63.8167.9000110.1L51 C54 M61 Y86 N92 L93 L94L51-I90 HydrophobicContact CD2-CB 3.95Å; L51-I90 HydrophobicContact CD2-CG2 3.52Å; C54-I90 WeakPolarHBondContact SG-CD1 3.23Å; M61-I90 HydrophobicContact CG-CD1 4.5Å; Y86-I90 WeakPolarHBondContact O-CB 3.5Å; Y86-I90 WeakPolarHBondContact O-CD1 3.47Å; Y86-I90 WeakPolarHBondContact O-CG1 3.49Å; Y86-I90 PolarHBondContact O-N 3.15Å; I90-N92 VanDerWaalsContact C-N 3.32Å; I90-N92 PolarHBondContact O-N 3.12Å; I90-L93 PolarHBondContact O-N 3.36Å; I90-L94 HydrophobicContact CG2-CD1 3.78Å; I90-L94 HydrophobicContact CG2-CG 4.03Å; I90-L94 WeakPolarHBondContact O-CB 3.42Å; I90-L94 VanDerWaalsContact O-CG 3.3Å; I90-L94 WeakPolarHBondContact O-CG 3.49Å; I90-L94 PolarHBondContact O-N 2.91Å
91T74.6Confident75.9Confident15 Ų1558.9 Ų58.99%0.09231%0.31CS..Hα-helixtrans-58.5-46.1176.8-58.40000111.1F37 L51 D87 Q88 S89 L95F37-T91 HydrophobicContact CD1-CG2 4.06Å; F37-T91 HydrophobicContact CD2-CG2 4.34Å; F37-T91 HydrophobicContact CE1-CG2 3.6Å; F37-T91 HydrophobicContact CE2-CG2 3.92Å; F37-T91 HydrophobicContact CG-CG2 4.41Å; F37-T91 HydrophobicContact CZ-CG2 3.52Å; L51-T91 HydrophobicContact CD1-CG2 4.13Å; L51-T91 WeakPolarHBondContact CD1-OG1 3.1Å; L51-T91 WeakPolarHBondContact CD2-OG1 3.15Å; D87-T91 WeakPolarHBondContact O-CB 3.46Å; D87-T91 PolarHBondContact O-N 3.06Å; D87-T91 PolarHBondContact O-OG1 3.01Å; Q88-T91 PolarHBondContact O-N 3.17Å; S89-T91 VanDerWaalsContact C-N 3.33Å; S89-T91 PolarHBondContact O-N 3.03Å; T91-L95 WeakPolarHBondContact O-CB 3.35Å; T91-L95 PolarHBondContact O-N 3.02Å
92N73Confident75.8Confident88 Ų8861.2 Ų61.247%0.47132%0.32SS..Hα-helixtrans-61.9-44.3177.8-71.1-17.8000111.9Q88 S89 I90 L95 A96Q88-N92 VanDerWaalsContact O-CG 3.28Å; Q88-N92 PolarHBondContact O-N 3.32Å; Q88-N92 PolarHBondContact O-ND2 3.39Å; S89-N92 PolarHBondContact O-N 3.33Å; I90-N92 VanDerWaalsContact C-N 3.32Å; I90-N92 PolarHBondContact O-N 3.12Å; N92-L95 PolarHBondContact O-N 3.5Å; N92-A96 VanDerWaalsContact O-CB 3.26Å; N92-A96 WeakPolarHBondContact O-CB 3.32Å; N92-A96 PolarHBondContact O-N 2.96Å
93L79.8Confident75.3Confident101 Ų10157.7 Ų57.753%0.52931%0.306SS..Hα-helixtrans-65-47.4178.7-72171.9000112.5S89 I90 L95 A96 N97S89-L93 WeakPolarHBondContact O-CG 3.03Å; S89-L93 PolarHBondContact O-N 2.59Å; I90-L93 PolarHBondContact O-N 3.36Å; L93-L95 VanDerWaalsContact C-N 3.29Å; L93-L95 PolarHBondContact O-N 3.34Å; L93-A96 PolarHBondContact O-N 3.17Å; L93-N97 WeakPolarHBondContact O-CB 3.42Å; L93-N97 PolarHBondContact O-N 3.26Å; L93-N97 PolarHBondContact O-ND2 3.18Å; L93-N97 VanDerWaalsContact O-ND2 3.12Å
94L80.4Confident74.9Confident34 Ų3463.3 Ų63.318%0.17833%0.328CS..Hα-helixtrans-61.5-40.7178.3-70.7178.8000111.4Q47 R50 L51 I90 L98Q47-L94 HydrophobicContact CB-CB 4.44Å; Q47-L94 HydrophobicContact CG-CB 4.49Å; R50-L94 HydrophobicContact CB-CD1 4.12Å; L51-L94 HydrophobicContact CD2-CD1 3.89Å; L51-L94 HydrophobicContact CG-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CD1 3.78Å; I90-L94 HydrophobicContact CG2-CG 4.03Å; I90-L94 WeakPolarHBondContact O-CB 3.42Å; I90-L94 VanDerWaalsContact O-CG 3.3Å; I90-L94 WeakPolarHBondContact O-CG 3.49Å; I90-L94 PolarHBondContact O-N 2.91Å; L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.18Å; L94-L98 PolarHBondContact O-N 3.44Å
95L73.6Confident74.6Confident21 Ų2165.8 Ų65.811%0.1133%0.333CS..Hα-helixtrans-70.1-43.9179-171.461.6000112.3F37 T91 N92 L93 N97 L98 L99 W106F37-L95 HydrophobicContact CD1-CD2 3.73Å; F37-L95 HydrophobicContact CE1-CD2 3.63Å; T91-L95 WeakPolarHBondContact O-CB 3.35Å; T91-L95 PolarHBondContact O-N 3.02Å; N92-L95 PolarHBondContact O-N 3.5Å; L93-L95 VanDerWaalsContact C-N 3.29Å; L93-L95 PolarHBondContact O-N 3.34Å; L95-N97 VanDerWaalsContact C-N 3.35Å; L95-N97 PolarHBondContact O-N 3.36Å; L95-L98 PolarHBondContact O-N 2.88Å; L95-L99 HydrophobicContact CD1-CD1 3.41Å; L95-L99 VanDerWaalsContact CD1-CD1 3.41Å; L95-L99 HydrophobicContact CD1-CG 3.97Å; L95-L99 HydrophobicContact CG-CD1 3.72Å; L95-L99 HydrophobicContact CG-CG 4.42Å; L95-L99 VanDerWaalsContact O-CB 3.29Å; L95-L99 WeakPolarHBondContact O-CB 3.09Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.26Å; L95-W106 HydrophobicContact CD2-CB 3.55Å; L95-W106 HydrophobicContact CD2-CG 3.96Å; L95-W106 HydrophobicContact CG-CB 4.15Å; L95-W106 HydrophobicContact CG-CG 4.45Å
96A74.8Confident74.1Confident10 Ų1067.4 Ų67.48%0.08334%0.339CS..Hα-helixtrans-60.6-45.4176.600000111.1N92 L93 L99 G100 Y101 W106N92-A96 VanDerWaalsContact O-CB 3.26Å; N92-A96 WeakPolarHBondContact O-CB 3.32Å; N92-A96 PolarHBondContact O-N 2.96Å; L93-A96 PolarHBondContact O-N 3.17Å; A96-L99 PolarHBondContact O-N 3.21Å; A96-G100 PolarHBondContact O-N 3.07Å; A96-Y101 HydrophobicContact CB-CD1 3.85Å; A96-Y101 HydrophobicContact CB-CE1 3.82Å; A96-Y101 HydrophobicContact CB-CG 4.39Å; A96-Y101 PolarHBondContact O-N 3.41Å; A96-W106 HydrophobicContact CB-CH2 4.13Å
97N80.5Confident73.4Confident96 Ų9666 Ų6651%0.51334%0.341SS..Hα-helixtrans-59.5-49.3174.3-79.7-40000111.9L93 L95 L99 G100 Y101L93-N97 WeakPolarHBondContact O-CB 3.42Å; L93-N97 PolarHBondContact O-N 3.26Å; L93-N97 PolarHBondContact O-ND2 3.18Å; L93-N97 VanDerWaalsContact O-ND2 3.12Å; L95-N97 VanDerWaalsContact C-N 3.35Å; L95-N97 PolarHBondContact O-N 3.36Å; N97-L99 VanDerWaalsContact C-N 3.25Å; N97-L99 PolarHBondContact O-N 3.08Å; N97-G100 PolarHBondContact O-N 2.7Å; N97-Y101 WeakPolarHBondContact OD1-CE2 3.44Å; N97-Y101 PolarHBondContact OD1-OH 2.93Å
98L78.2Confident72.6Confident52 Ų5268 Ų6827%0.27236%0.358SS..Hα-helixtrans-61.3-35.1179.7177.764.2000112.5N43 Q47 L94 L95N43-L98 HydrophobicContact CB-CD1 3.82Å; N43-L98 HydrophobicContact CB-CD2 4.27Å; Q47-L98 HydrophobicContact CG-CD2 3.78Å; L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.18Å; L94-L98 PolarHBondContact O-N 3.44Å; L95-L98 PolarHBondContact O-N 2.88Å
99L78.4Confident72Confident27 Ų2772.2 Ų72.214%0.14138%0.378CS..Hα-helixtrans-98.54.7-173.3-61.9179.8000113.6L95 A96 N97 R105 W106L95-L99 HydrophobicContact CD1-CD1 3.41Å; L95-L99 VanDerWaalsContact CD1-CD1 3.41Å; L95-L99 HydrophobicContact CD1-CG 3.97Å; L95-L99 HydrophobicContact CG-CD1 3.72Å; L95-L99 HydrophobicContact CG-CG 4.42Å; L95-L99 VanDerWaalsContact O-CB 3.29Å; L95-L99 WeakPolarHBondContact O-CB 3.09Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.26Å; A96-L99 PolarHBondContact O-N 3.21Å; N97-L99 VanDerWaalsContact C-N 3.25Å; N97-L99 PolarHBondContact O-N 3.08Å; L99-R105 HydrophobicContact CB-CB 4.08Å; L99-R105 HydrophobicContact CD1-CB 3.78Å; L99-R105 HydrophobicContact CD2-CB 4.23Å; L99-R105 HydrophobicContact CG-CB 4.25Å; L99-R105 WeakPolarHBondContact O-CD 3.41Å; L99-R105 PolarHBondContact O-NH1 3.1Å; L99-W106 HydrophobicContact CB-CE3 3.8Å; L99-W106 HydrophobicContact CB-CZ3 3.88Å; L99-W106 HydrophobicContact CD1-CB 3.89Å; L99-W106 HydrophobicContact CD1-CD2 4.36Å; L99-W106 HydrophobicContact CD1-CE3 3.62Å; L99-W106 HydrophobicContact CG-CE3 4.33Å
100G79.4Confident71Confident54 Ų5473.9 Ų73.956%0.55739%0.387SS*.THydrogen-bonded Turntrans67.336.9177.900000112.8A96 N97 N102A96-G100 PolarHBondContact O-N 3.07Å; N97-G100 PolarHBondContact O-N 2.7Å; G100-N102 PolarHBondContact O-N 3.42Å
101Y75.7Confident69.8Low150 Ų15077.7 Ų77.759%0.58841%0.412SS*.THydrogen-bonded Turntrans56.216.8179.8-67.1-95000115.1A96 N97 S103 W106A96-Y101 HydrophobicContact CB-CD1 3.85Å; A96-Y101 HydrophobicContact CB-CE1 3.82Å; A96-Y101 HydrophobicContact CB-CG 4.39Å; A96-Y101 PolarHBondContact O-N 3.41Å; N97-Y101 WeakPolarHBondContact OD1-CE2 3.44Å; N97-Y101 PolarHBondContact OD1-OH 2.93Å; Y101-S103 PolarHBondContact O-N 3.37Å; Y101-W106 VanDerWaalsContact C-CH2 3.49Å
102N72.8Confident68.6Low67 Ų6783.4 Ų83.436%0.35844%0.442SS..  trans-87.198.6175.8-175.6-17.3000110.7G100 K104 R105 W106G100-N102 PolarHBondContact O-N 3.42Å; N102-K104 PolarHBondContact O-N 3.45Å; N102-K104 VanDerWaalsContact O-N 3.12Å; N102-K104 WeakPolarHBondContact OD1-CB 3.43Å; N102-K104 PolarHBondContact OD1-N 2.81Å; N102-R105 HydrophobicContact CB-CG 4.21Å; N102-R105 WeakPolarHBondContact O-CB 3.06Å; N102-R105 PolarHBondContact O-N 2.03Å; N102-W106 WeakPolarHBondContact O-CZ3 3Å
103S66.4Low67.4Low64 Ų6487.5 Ų87.545%0.44846%0.456SS..G310 helixtrans-54-33.5-176.357.30000114.2Y101 R105 W106 S107Y101-S103 PolarHBondContact O-N 3.37Å; S103-R105 PolarHBondContact O-N 3.38Å; S103-W106 VanDerWaalsContact CA-CZ2 3.5Å; S103-W106 PolarHBondContact O-N 3.12Å; S103-S107 PolarHBondContact O-N 3.35Å; S103-S107 PolarHBondContact O-OG 3.05Å; S103-S107 VanDerWaalsContact O-OG 3.06Å
104K67Low66.2Low145 Ų14588.8 Ų88.863%0.6346%0.457SS*.G310 helixtrans-59-16.8178-53.5-164.9168.6-166.10114.1N102 E109N102-K104 PolarHBondContact O-N 3.45Å; N102-K104 VanDerWaalsContact O-N 3.12Å; N102-K104 WeakPolarHBondContact OD1-CB 3.43Å; N102-K104 PolarHBondContact OD1-N 2.81Å; K104-E109 WeakPolarHBondContact CD-OE1 3.41Å; K104-E109 WeakPolarHBondContact CE-OE1 3.37Å; K104-E109 VanDerWaalsContact CG-OE1 3.27Å; K104-E109 WeakPolarHBondContact CG-OE1 3.14Å
105R65.5Low64.6Low157 Ų15793.3 Ų93.359%0.59248%0.477SS*.G310 helixtrans-84.7-14.4179.6-64.7-177.9170.6-179.8-6.5113.4L99 N102 S103L99-R105 HydrophobicContact CB-CB 4.08Å; L99-R105 HydrophobicContact CD1-CB 3.78Å; L99-R105 HydrophobicContact CD2-CB 4.23Å; L99-R105 HydrophobicContact CG-CB 4.25Å; L99-R105 WeakPolarHBondContact O-CD 3.41Å; L99-R105 PolarHBondContact O-NH1 3.1Å; N102-R105 HydrophobicContact CB-CG 4.21Å; N102-R105 WeakPolarHBondContact O-CB 3.06Å; N102-R105 PolarHBondContact O-N 2.03Å; S103-R105 PolarHBondContact O-N 3.38Å
106W63.1Low63.5Low96 Ų9696.1 Ų96.136%0.36449%0.492SS..THydrogen-bonded Turntrans-133.3-23.3179.967.181.9000114.5L95 A96 L99 Y101 N102 S103L95-W106 HydrophobicContact CD2-CB 3.55Å; L95-W106 HydrophobicContact CD2-CG 3.96Å; L95-W106 HydrophobicContact CG-CB 4.15Å; L95-W106 HydrophobicContact CG-CG 4.45Å; A96-W106 HydrophobicContact CB-CH2 4.13Å; L99-W106 HydrophobicContact CB-CE3 3.8Å; L99-W106 HydrophobicContact CB-CZ3 3.88Å; L99-W106 HydrophobicContact CD1-CB 3.89Å; L99-W106 HydrophobicContact CD1-CD2 4.36Å; L99-W106 HydrophobicContact CD1-CE3 3.62Å; L99-W106 HydrophobicContact CG-CE3 4.33Å; Y101-W106 VanDerWaalsContact C-CH2 3.49Å; N102-W106 WeakPolarHBondContact O-CZ3 3Å; S103-W106 VanDerWaalsContact CA-CZ2 3.5Å; S103-W106 PolarHBondContact O-N 3.12Å
107S61Low62.1Low51 Ų51101.9 Ų101.936%0.35751%0.512SS..  trans-76.8136.7165.770.50000108.4S103 E109S103-S107 PolarHBondContact O-N 3.35Å; S103-S107 PolarHBondContact O-OG 3.05Å; S103-S107 VanDerWaalsContact O-OG 3.06Å; S107-E109 PolarHBondContact O-N 3.38Å
108S57.2Low60.4Low88 Ų88103.5 Ų103.562%0.61551%0.51SS*.  trans-72-7.2175.2560000112.5V110S108-V110 PolarHBondContact O-N 3.17Å; S108-V110 WeakPolarHBondContact OG-CB 3.27Å; S108-V110 PolarHBondContact OG-N 3.5Å
109E57.8Low59.1Low123 Ų123111.7 Ų111.758%0.57554%0.539SS*.  trans50.87.9-164.3-61.3-175.817200113.4K104 S107 T111K104-E109 WeakPolarHBondContact CD-OE1 3.41Å; K104-E109 WeakPolarHBondContact CE-OE1 3.37Å; K104-E109 VanDerWaalsContact CG-OE1 3.27Å; K104-E109 WeakPolarHBondContact CG-OE1 3.14Å; S107-E109 PolarHBondContact O-N 3.38Å; E109-T111 PolarHBondContact O-N 3.26Å; E109-T111 VanDerWaalsContact O-N 3.1Å
110V55.7Low57.7Low74 Ų74114.9 Ų114.945%0.44855%0.554SS.*  trans-71111.1178.8174.80000107.1S108 N112 F113S108-V110 PolarHBondContact O-N 3.17Å; S108-V110 WeakPolarHBondContact OG-CB 3.27Å; S108-V110 PolarHBondContact OG-N 3.5Å; V110-N112 VanDerWaalsContact C-N 3.3Å; V110-N112 HydrophobicContact CG1-CB 4.03Å; V110-F113 VanDerWaalsContact O-CE2 3.23Å; V110-F113 WeakPolarHBondContact O-CE2 2.91Å; V110-F113 WeakPolarHBondContact O-CZ 3.4Å
111T51Low56.5Low118 Ų118117.9 Ų117.972%0.72457%0.566SS**  trans-80.9-15.2173550000112.3E109 F113E109-T111 PolarHBondContact O-N 3.26Å; E109-T111 VanDerWaalsContact O-N 3.1Å; T111-F113 VanDerWaalsContact C-N 3.26Å; T111-F113 WeakPolarHBondContact O-CD2 3.45Å; T111-F113 PolarHBondContact O-N 3.26Å
112N50.1Low55.3Low136 Ų136116 Ų11673%0.72757%0.566SS**  trans-81.173.6176.3-70.2-2.6000110.1V110V110-N112 VanDerWaalsContact C-N 3.3Å; V110-N112 HydrophobicContact CG1-CB 4.03Å
113F47.5Very low54.5Low174 Ų174120.6 Ų120.676%0.76359%0.591SS**PPolyproline II helixtrans-75.7142.3167.2-59.7-81.9000109.4V110 T111V110-F113 VanDerWaalsContact O-CE2 3.23Å; V110-F113 WeakPolarHBondContact O-CE2 2.91Å; V110-F113 WeakPolarHBondContact O-CZ 3.4Å; T111-F113 VanDerWaalsContact C-N 3.26Å; T111-F113 WeakPolarHBondContact O-CD2 3.45Å; T111-F113 PolarHBondContact O-N 3.26Å
114F53.2Low53.8Low128 Ų128121.7 Ų121.756%0.56160%0.598SS**PPolyproline II helixtrans-103.8133.6166.853.5-84.6000108.4I116F114-I116 HydrophobicContact CD2-CD1 4.26Å; F114-I116 HydrophobicContact CD2-CG1 3.6Å; F114-I116 HydrophobicContact CE2-CD1 3.62Å; F114-I116 HydrophobicContact CE2-CG1 3.47Å; F114-I116 VanDerWaalsContact CE2-CG1 3.47Å; F114-I116 HydrophobicContact CZ-CD1 4.48Å; F114-I116 PolarHBondContact O-N 2.94Å
115E47.2Very low52.9Low128 Ų128119.6 Ų119.660%0.59859%0.592SS**PPolyproline II helixtrans-71.7117.2171.8-168.5-170.2163.500107.9R117E115-R117 VanDerWaalsContact CD-NE 3.27Å; E115-R117 HydrophobicContact CG-CG 4.07Å; E115-R117 PolarHBondContact O-N 3.24Å; E115-R117 WeakPolarHBondContact OE1-CG 2.86Å; E115-R117 IonicContact OE1-CZ 2.7Å; E115-R117 IonicContact OE1-NE 3.37Å; E115-R117 PolarHBondContact OE1-NE 3.41Å; E115-R117 IonicContact OE1-NH2 3.8Å; E115-R117 IonicContact OE2-CZ 3.42Å; E115-R117 IonicContact OE2-NE 3.49Å; E115-R117 PolarHBondContact OE2-NE 3.45Å; E115-R117 IonicContact OE2-NH2 3.21Å; E115-R117 PolarHBondContact OE2-NH2 3.21Å
116I51.6Low52Low80 Ų80120.6 Ų120.641%0.4160%0.601SS.*  trans-88.9105.3170-57.2176.2000107.3F114F114-I116 HydrophobicContact CD2-CD1 4.26Å; F114-I116 HydrophobicContact CD2-CG1 3.6Å; F114-I116 HydrophobicContact CE2-CD1 3.62Å; F114-I116 HydrophobicContact CE2-CG1 3.47Å; F114-I116 VanDerWaalsContact CE2-CG1 3.47Å; F114-I116 HydrophobicContact CZ-CD1 4.48Å; F114-I116 PolarHBondContact O-N 2.94Å
117R45Very low51.2Low132 Ų132121.7 Ų121.750%0.49862%0.62SS.*  trans-88.6122.6171.9-69.4177.3173.6177.27.6109.8E115 E120E115-R117 VanDerWaalsContact CD-NE 3.27Å; E115-R117 HydrophobicContact CG-CG 4.07Å; E115-R117 PolarHBondContact O-N 3.24Å; E115-R117 WeakPolarHBondContact OE1-CG 2.86Å; E115-R117 IonicContact OE1-CZ 2.7Å; E115-R117 IonicContact OE1-NE 3.37Å; E115-R117 PolarHBondContact OE1-NE 3.41Å; E115-R117 IonicContact OE1-NH2 3.8Å; E115-R117 IonicContact OE2-CZ 3.42Å; E115-R117 IonicContact OE2-NE 3.49Å; E115-R117 PolarHBondContact OE2-NE 3.45Å; E115-R117 IonicContact OE2-NH2 3.21Å; E115-R117 PolarHBondContact OE2-NH2 3.21Å; R117-E120 HydrophobicContact CB-CB 4.2Å; R117-E120 HydrophobicContact CB-CG 3.97Å; R117-E120 WeakPolarHBondContact CB-OE2 3.39Å; R117-E120 WeakPolarHBondContact CD-OE1 3.38Å; R117-E120 WeakPolarHBondContact CD-OE2 3.37Å; R117-E120 IonicContact CZ-OE1 3.69Å; R117-E120 IonicContact NE-OE1 2.93Å; R117-E120 IonicContact NH1-OE1 3Å; R117-E120 PolarHBondContact NH1-OE1 3.49Å
118R43.6Very low50.5Low130 Ų130128 Ų12849%0.49164%0.637SS.*THydrogen-bonded Turntrans-76.1144.8174.5-67.3-175.9-66.9-154.5-7109.3E120R118-E120 PolarHBondContact O-N 3.46Å
119Y51.8Low49.5Very low223 Ų223131.5 Ų131.588%0.87564%0.644SS**THydrogen-bonded Turntrans66.59.1-177.4-45.3-80000115.4S121Y119-S121 PolarHBondContact O-N 3.14Å; Y119-S121 VanDerWaalsContact O-N 3.1Å
120E50.3Low48.5Very low95 Ų95131 Ų13144%0.44465%0.652SS.*  trans-71.8103163-100-179.3-176.400108.2R117 R118R117-E120 HydrophobicContact CB-CB 4.2Å; R117-E120 HydrophobicContact CB-CG 3.97Å; R117-E120 WeakPolarHBondContact CB-OE2 3.39Å; R117-E120 WeakPolarHBondContact CD-OE1 3.38Å; R117-E120 WeakPolarHBondContact CD-OE2 3.37Å; R117-E120 IonicContact CZ-OE1 3.69Å; R117-E120 IonicContact NE-OE1 2.93Å; R117-E120 IonicContact NH1-OE1 3Å; R117-E120 PolarHBondContact NH1-OE1 3.49Å; R118-E120 PolarHBondContact O-N 3.46Å
121S52.3Low47.6Very low117 Ų117134.2 Ų134.282%0.81867%0.667SS**  trans-97.110.9172.463.60000112.1Y119 D123Y119-S121 PolarHBondContact O-N 3.14Å; Y119-S121 VanDerWaalsContact O-N 3.1Å; S121-D123 PolarHBondContact O-N 2.9Å
122D52.4Low47Very low110 Ų110134 Ų13459%0.58866%0.66SS**  trans-78.2105.8-178.1-167.28.8000109.6S124 M125D122-S124 PolarHBondContact O-N 3.19Å; D122-S124 WeakPolarHBondContact OD1-CB 3.45Å; D122-S124 PolarHBondContact OD1-N 3.3Å; D122-S124 PolarHBondContact OD1-OG 3Å; D122-S124 PolarHBondContact OD2-OG 3.38Å; D122-M125 PolarHBondContact O-N 3.04Å
123D54.6Low46.4Very low164 Ų164134.2 Ų134.288%0.87766%0.661SS**THydrogen-bonded Turntrans-60.5-6.8177.3-123.95.3000112.6S121 M125S121-D123 PolarHBondContact O-N 2.9Å; D123-M125 VanDerWaalsContact C-N 3.26Å; D123-M125 PolarHBondContact O-N 2.99Å
124S52.7Low45.9Very low86 Ų86133 Ų13360%0.60166%0.662SS**THydrogen-bonded Turntrans-67.2-24.6177.876.60000113.3D122 K126D122-S124 PolarHBondContact O-N 3.19Å; D122-S124 WeakPolarHBondContact OD1-CB 3.45Å; D122-S124 PolarHBondContact OD1-N 3.3Å; D122-S124 PolarHBondContact OD1-OG 3Å; D122-S124 PolarHBondContact OD2-OG 3.38Å; S124-K126 PolarHBondContact O-N 3.42Å
125M47.4Very low45.3Very low102 Ų102131.4 Ų131.450%0.50267%0.666SS.*SBendtrans-88.193.3178.2-159159.2133.500109.8D122 D123 Y128D122-M125 PolarHBondContact O-N 3.04Å; D123-M125 VanDerWaalsContact C-N 3.26Å; D123-M125 PolarHBondContact O-N 2.99Å; M125-Y128 HydrophobicContact CE-CE2 4.3Å
126K46.7Very low44.8Very low178 Ų178130.1 Ų130.177%0.77467%0.671SS**  trans-49.7131.1173.8-71.9-175.9179.6-178.90109.4S124 Y128S124-K126 PolarHBondContact O-N 3.42Å; K126-Y128 PolarHBondContact O-N 3.33Å
127P46.1Very low44.1Very low118 Ų118134.3 Ų134.377%0.76669%0.694SS**  trans-50.3127.9174.2-24.332.3000109.3E129P127-E129 PolarHBondContact O-N 2.72Å
128Y45.6Very low43.7Very low185 Ų185140.6 Ų140.673%0.72573%0.725SS**  trans-64.1106.6169.3-83.3-84.5000107.7M125 K126 C130M125-Y128 HydrophobicContact CE-CE2 4.3Å; K126-Y128 PolarHBondContact O-N 3.33Å; Y128-C130 PolarHBondContact O-N 3.36Å
129E37.9Very low43.7Very low160 Ų160141.2 Ų141.275%0.74874%0.737SS**  trans-65123.5164.1-70.8-174.5170.400107.1P127 L131P127-E129 PolarHBondContact O-N 2.72Å; E129-L131 PolarHBondContact O-N 3.34Å
130C36.8Very low43.2Very low112 Ų112136.8 Ų136.876%0.75773%0.73SS**  trans-59.797.7164.3-70.40000107Y128 L132Y128-C130 PolarHBondContact O-N 3.36Å; C130-L132 VanDerWaalsContact C-N 3.27Å; C130-L132 PolarHBondContact O-N 3.01Å
131L37Very low42.9Very low143 Ų143139.2 Ų139.275%0.74975%0.746SS**  trans-63.298168.9-64.6178000106E129 N133E129-L131 PolarHBondContact O-N 3.34Å; L131-N133 PolarHBondContact O-N 3Å
132L36.6Very low42.3Very low113 Ų113140.5 Ų140.559%0.59274%0.742SS**  trans-63.994164.2-69175.9000105.3C130 I134C130-L132 VanDerWaalsContact C-N 3.27Å; C130-L132 PolarHBondContact O-N 3.01Å; L132-I134 HydrophobicContact CB-CG1 4.07Å; L132-I134 PolarHBondContact O-N 3.47Å
133N38.5Very low41.7Very low140 Ų140142.4 Ų142.475%0.74975%0.751SS**  trans-65.383.7156-80.1-6.5000105.7L131 S135L131-N133 PolarHBondContact O-N 3Å; N133-S135 PolarHBondContact O-N 3.44Å
134I37.7Very low40.8Very low150 Ų150140.9 Ų140.977%0.76974%0.743SS**  trans-69.768155.4-50178000104.8L132 S136L132-I134 HydrophobicContact CB-CG1 4.07Å; L132-I134 PolarHBondContact O-N 3.47Å; I134-S136 PolarHBondContact O-N 3.1Å
135S38.9Very low40Very low93 Ų93144.9 Ų144.965%0.6575%0.753SS**  trans-70.284.2161.251.70000105.8N133 N137N133-S135 PolarHBondContact O-N 3.44Å; S135-N137 PolarHBondContact O-N 3.19Å
136S37.3Very low39.4Very low102 Ų102148.2 Ų148.271%0.71377%0.772SS**  trans11.188.7131.955.50000113.7I134I134-S136 PolarHBondContact O-N 3.1Å
137N37.1Very low38.8Very low167 Ų167145.7 Ų145.789%0.89377%0.772SS**  trans-98101.1142.3-109-47.2000106.7S135S135-N137 PolarHBondContact O-N 3.19Å
138K36Very low38.1Very low265 Ų265148.2 Ų148.2100%1.15277%0.772SS**  trans-38.90165.3-172.4-179.6-175.9-179.60113.2

Retrieved 138 of 138 residues in 108 ms (Link to these results)