A0A3Q0KU44_SCHMA Loading...

XK-related protein

AlphaFold DB , UniProt , Accession A0A3Q0KU44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 62 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
1M50Low50.3Low217 Ų217129 Ų129100%1.06959%0.591SS**  0-6.50-75.9-168.7-97.800113.1
2E43.3Very low51.5Low165 Ų165124.8 Ų124.877%0.77158%0.576SS**Hα-helixtrans-73-33.2-175-65.9161.3101.700114F4 F5 H6E2-F4 VanDerWaalsContact C-N 3.32Å; E2-F4 PolarHBondContact O-N 2.83Å; E2-F5 WeakPolarHBondContact O-CB 3.22Å; E2-F5 PolarHBondContact O-N 3.24Å; E2-H6 PolarHBondContact O-N 3.17Å
3Y40.5Very low52.6Low214 Ų214121.3 Ų121.384%0.83957%0.569SS**Hα-helixtrans-63.9-35.3176.8-73.4-84.5000113.4F5 L7Y3-F5 VanDerWaalsContact C-N 3.34Å; Y3-L7 WeakPolarHBondContact O-CB 2.97Å; Y3-L7 PolarHBondContact O-N 3.4Å
4F44.1Very low53.7Low162 Ų162120.5 Ų120.571%0.71157%0.569SS**Hα-helixtrans-70.1-36.1177.4-168-95.8000111.3E2 S8E2-F4 VanDerWaalsContact C-N 3.32Å; E2-F4 PolarHBondContact O-N 2.83Å; F4-S8 WeakPolarHBondContact O-CB 3.29Å; F4-S8 PolarHBondContact O-N 2.83Å; F4-S8 PolarHBondContact O-OG 3.4Å
5F46.4Very low54.7Low110 Ų110116.3 Ų116.348%0.48256%0.563SS.*Hα-helixtrans-67.1-45.4175.1-166.5-100.2000111.2E2 Y3 L7 S8 M9E2-F5 WeakPolarHBondContact O-CB 3.22Å; E2-F5 PolarHBondContact O-N 3.24Å; Y3-F5 VanDerWaalsContact C-N 3.34Å; F5-L7 PolarHBondContact O-N 2.94Å; F5-S8 WeakPolarHBondContact CA-OG 3.26Å; F5-S8 PolarHBondContact O-N 3.43Å; F5-S8 PolarHBondContact O-OG 3.24Å; F5-M9 HydrophobicContact CD1-CE 4.15Å; F5-M9 HydrophobicContact CD1-CG 4.22Å; F5-M9 HydrophobicContact CD2-CE 4.21Å; F5-M9 HydrophobicContact CE1-CE 3.46Å; F5-M9 VanDerWaalsContact CE1-CE 3.46Å; F5-M9 HydrophobicContact CE1-CG 4.17Å; F5-M9 HydrophobicContact CE2-CE 3.52Å; F5-M9 HydrophobicContact CZ-CE 3.11Å; F5-M9 VanDerWaalsContact O-CG 3.24Å; F5-M9 WeakPolarHBondContact O-CG 3.4Å; F5-M9 PolarHBondContact O-N 2.88Å
6H48.6Very low55.4Low121 Ų121110.8 Ų110.856%0.5654%0.54SS*.Hα-helixtrans-63.7-42.7178.7-152.4-88.9000112.4E2 S8 M9 E10E2-H6 PolarHBondContact O-N 3.17Å; H6-S8 PolarHBondContact O-N 3.49Å; H6-M9 WeakPolarHBondContact O-CB 3.03Å; H6-M9 PolarHBondContact O-N 3.26Å; H6-E10 IonicContact CE1-OE2 3.77Å; H6-E10 IonicContact ND1-OE2 3.13Å; H6-E10 PolarHBondContact ND1-OE2 2.84Å; H6-E10 VanDerWaalsContact ND1-OE2 3.13Å; H6-E10 PolarHBondContact O-N 3.47Å
7L51.2Low56.3Low88 Ų88109.4 Ų109.446%0.46154%0.535SS..Hα-helixtrans-64.5-43.3178.3-163.176.7000111.5Y3 F5 M9 E10 Y11Y3-L7 WeakPolarHBondContact O-CB 2.97Å; Y3-L7 PolarHBondContact O-N 3.4Å; F5-L7 PolarHBondContact O-N 2.94Å; L7-M9 VanDerWaalsContact C-N 3.28Å; L7-M9 PolarHBondContact O-N 3.38Å; L7-E10 PolarHBondContact O-N 2.9Å; L7-Y11 HydrophobicContact CD1-CE2 4.12Å; L7-Y11 HydrophobicContact CD2-CD2 4.49Å; L7-Y11 HydrophobicContact CD2-CE2 3.86Å; L7-Y11 HydrophobicContact CG-CD2 3.93Å; L7-Y11 HydrophobicContact CG-CE2 3.59Å; L7-Y11 WeakPolarHBondContact O-CD2 3.47Å; L7-Y11 PolarHBondContact O-N 3.3Å
8S54Low57.1Low51 Ų51108.4 Ų108.436%0.35754%0.537SS..Hα-helixtrans-66.3-29.2175.944.60000112.9F4 F5 H6 L12F4-S8 WeakPolarHBondContact O-CB 3.29Å; F4-S8 PolarHBondContact O-N 2.83Å; F4-S8 PolarHBondContact O-OG 3.4Å; F5-S8 WeakPolarHBondContact CA-OG 3.26Å; F5-S8 PolarHBondContact O-N 3.43Å; F5-S8 PolarHBondContact O-OG 3.24Å; H6-S8 PolarHBondContact O-N 3.49Å; S8-L12 VanDerWaalsContact O-CB 3.3Å; S8-L12 WeakPolarHBondContact O-CB 3.29Å; S8-L12 PolarHBondContact O-N 3.28Å
9M52.2Low57.8Low27 Ų27108 Ų10813%0.13353%0.532CS..Hα-helixtrans-68.9-45.5172.1-71.4-55167.100112.5F5 H6 L7 Y11 L12 V13 H46F5-M9 HydrophobicContact CD1-CE 4.15Å; F5-M9 HydrophobicContact CD1-CG 4.22Å; F5-M9 HydrophobicContact CD2-CE 4.21Å; F5-M9 HydrophobicContact CE1-CE 3.46Å; F5-M9 VanDerWaalsContact CE1-CE 3.46Å; F5-M9 HydrophobicContact CE1-CG 4.17Å; F5-M9 HydrophobicContact CE2-CE 3.52Å; F5-M9 HydrophobicContact CZ-CE 3.11Å; F5-M9 VanDerWaalsContact O-CG 3.24Å; F5-M9 WeakPolarHBondContact O-CG 3.4Å; F5-M9 PolarHBondContact O-N 2.88Å; H6-M9 WeakPolarHBondContact O-CB 3.03Å; H6-M9 PolarHBondContact O-N 3.26Å; L7-M9 VanDerWaalsContact C-N 3.28Å; L7-M9 PolarHBondContact O-N 3.38Å; M9-Y11 VanDerWaalsContact C-N 3.32Å; M9-Y11 PolarHBondContact O-N 2.86Å; M9-L12 PolarHBondContact O-N 2.83Å; M9-V13 WeakPolarHBondContact O-CB 3.28Å; M9-V13 VanDerWaalsContact O-CG2 3.31Å; M9-V13 WeakPolarHBondContact O-CG2 3.47Å; M9-V13 PolarHBondContact O-N 3.46Å; M9-H46 PolarHBondContact SD-NE2 2.81Å; M9-H46 VanDerWaalsContact SD-NE2 3.37Å
10E60Low58.2Low113 Ų113104.1 Ų104.153%0.52851%0.513SS..Hα-helixtrans-62.2-42.3176.2-69.7-178.688.300111H6 L7 V13 L14H6-E10 IonicContact CE1-OE2 3.77Å; H6-E10 IonicContact ND1-OE2 3.13Å; H6-E10 PolarHBondContact ND1-OE2 2.84Å; H6-E10 VanDerWaalsContact ND1-OE2 3.13Å; H6-E10 PolarHBondContact O-N 3.47Å; L7-E10 PolarHBondContact O-N 2.9Å; E10-V13 PolarHBondContact O-N 3.39Å; E10-L14 VanDerWaalsContact O-CB 3.24Å; E10-L14 WeakPolarHBondContact O-CB 3.44Å; E10-L14 PolarHBondContact O-N 3.22Å
11Y63.4Low58.7Low151 Ų151103.1 Ų103.159%0.59251%0.513SS*.Hα-helixtrans-63.3-40.7174.2-81-65.4000113.2L7 M9 L14 A15L7-Y11 HydrophobicContact CD1-CE2 4.12Å; L7-Y11 HydrophobicContact CD2-CD2 4.49Å; L7-Y11 HydrophobicContact CD2-CE2 3.86Å; L7-Y11 HydrophobicContact CG-CD2 3.93Å; L7-Y11 HydrophobicContact CG-CE2 3.59Å; L7-Y11 WeakPolarHBondContact O-CD2 3.47Å; L7-Y11 PolarHBondContact O-N 3.3Å; M9-Y11 VanDerWaalsContact C-N 3.32Å; M9-Y11 PolarHBondContact O-N 2.86Å; Y11-L14 PolarHBondContact O-N 2.82Å; Y11-A15 VanDerWaalsContact O-CB 3.24Å; Y11-A15 WeakPolarHBondContact O-CB 3.25Å; Y11-A15 PolarHBondContact O-N 3.43Å
12L64.6Low59.7Low78 Ų7898.5 Ų98.541%0.40848%0.484SS..Hα-helixtrans-67.5-44.4179.4-170.573.9000111S8 M9 L14 A15 C16S8-L12 VanDerWaalsContact O-CB 3.3Å; S8-L12 WeakPolarHBondContact O-CB 3.29Å; S8-L12 PolarHBondContact O-N 3.28Å; M9-L12 PolarHBondContact O-N 2.83Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-A15 PolarHBondContact O-N 3.45Å; L12-C16 WeakPolarHBondContact O-CB 3.31Å; L12-C16 PolarHBondContact O-N 3.43Å; L12-C16 PolarHBondContact O-SG 2.83Å; L12-C16 VanDerWaalsContact O-SG 3.4Å
13V65.6Low60.7Low80 Ų8095.5 Ų95.549%0.48547%0.467SS..Hα-helixtrans-62.3-43.1175171.70000110.3M9 E10 C16 N17M9-V13 WeakPolarHBondContact O-CB 3.28Å; M9-V13 VanDerWaalsContact O-CG2 3.31Å; M9-V13 WeakPolarHBondContact O-CG2 3.47Å; M9-V13 PolarHBondContact O-N 3.46Å; E10-V13 PolarHBondContact O-N 3.39Å; V13-C16 PolarHBondContact O-N 2.85Å; V13-N17 WeakPolarHBondContact CG1-ND2 3.42Å; V13-N17 WeakPolarHBondContact O-CB 3.24Å; V13-N17 PolarHBondContact O-N 3.3Å; V13-N17 PolarHBondContact O-ND2 3.49Å
14L68.3Low61.9Low110 Ų11091.4 Ų91.458%0.57645%0.453SS*.Hα-helixtrans-62.6-46176.3-15488.8000111E10 Y11 L12 C16 N17 V18E10-L14 VanDerWaalsContact O-CB 3.24Å; E10-L14 WeakPolarHBondContact O-CB 3.44Å; E10-L14 PolarHBondContact O-N 3.22Å; Y11-L14 PolarHBondContact O-N 2.82Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L14-C16 PolarHBondContact O-N 3.41Å; L14-N17 PolarHBondContact O-N 2.67Å; L14-V18 WeakPolarHBondContact O-CB 3.3Å; L14-V18 VanDerWaalsContact O-CG2 3.25Å; L14-V18 WeakPolarHBondContact O-CG2 3.24Å; L14-V18 PolarHBondContact O-N 2.86Å
15A68.4Low63.1Low58 Ų5890.9 Ų90.948%0.47946%0.455SS..Hα-helixtrans-62.3-41.917800000111.9Y11 L12 V18 F19Y11-A15 VanDerWaalsContact O-CB 3.24Å; Y11-A15 WeakPolarHBondContact O-CB 3.25Å; Y11-A15 PolarHBondContact O-N 3.43Å; L12-A15 PolarHBondContact O-N 3.45Å; A15-V18 PolarHBondContact O-N 3.41Å; A15-F19 VanDerWaalsContact O-CB 3.3Å; A15-F19 WeakPolarHBondContact O-CB 3.38Å; A15-F19 PolarHBondContact O-N 2.83Å
16C66.4Low64.1Low28 Ų2892.9 Ų92.919%0.18946%0.459CS..Hα-helixtrans-63.1-45.5173.6-77.30000111.5L12 V13 L14 V18 F19 L20 C42L12-C16 WeakPolarHBondContact O-CB 3.31Å; L12-C16 PolarHBondContact O-N 3.43Å; L12-C16 PolarHBondContact O-SG 2.83Å; L12-C16 VanDerWaalsContact O-SG 3.4Å; V13-C16 PolarHBondContact O-N 2.85Å; L14-C16 PolarHBondContact O-N 3.41Å; C16-V18 PolarHBondContact O-N 3.33Å; C16-F19 PolarHBondContact O-N 2.99Å; C16-L20 WeakPolarHBondContact O-CB 3.06Å; C16-L20 VanDerWaalsContact O-CG 3.23Å; C16-L20 WeakPolarHBondContact O-CG 3.24Å; C16-L20 PolarHBondContact O-N 3.42Å; C16-C42 PolarHBondContact SG-SG 3.27Å
17N69.5Low64.9Low86 Ų8692.4 Ų92.446%0.4645%0.452SS..Hα-helixtrans-61.4-44.5175.8-81.1-63.7000112V13 L14 F19 L20 V21V13-N17 WeakPolarHBondContact CG1-ND2 3.42Å; V13-N17 WeakPolarHBondContact O-CB 3.24Å; V13-N17 PolarHBondContact O-N 3.3Å; V13-N17 PolarHBondContact O-ND2 3.49Å; L14-N17 PolarHBondContact O-N 2.67Å; N17-F19 VanDerWaalsContact C-N 3.34Å; N17-F19 PolarHBondContact O-N 3.05Å; N17-L20 PolarHBondContact O-N 2.85Å; N17-V21 WeakPolarHBondContact O-CB 3.41Å; N17-V21 VanDerWaalsContact O-CG2 3.26Å; N17-V21 WeakPolarHBondContact O-CG2 3.45Å; N17-V21 PolarHBondContact O-N 2.93Å
18V71.3Confident65.5Low93 Ų9391.2 Ų91.256%0.56445%0.45SS*.Hα-helixtrans-60.8-44.3176.61700000110.8L14 A15 C16 V21 Y22L14-V18 WeakPolarHBondContact O-CB 3.3Å; L14-V18 VanDerWaalsContact O-CG2 3.25Å; L14-V18 WeakPolarHBondContact O-CG2 3.24Å; L14-V18 PolarHBondContact O-N 2.86Å; A15-V18 PolarHBondContact O-N 3.41Å; C16-V18 PolarHBondContact O-N 3.33Å; V18-V21 PolarHBondContact O-N 3.24Å; V18-Y22 VanDerWaalsContact O-CB 3.28Å; V18-Y22 WeakPolarHBondContact O-CB 3.31Å; V18-Y22 PolarHBondContact O-N 3.45Å
19F70.6Confident65.9Low100 Ų10097.7 Ų97.744%0.43947%0.474SS..Hα-helixtrans-63.2-45.4176.3-171.2-92.5000111.3A15 C16 N17 V21 Y22 Y23A15-F19 VanDerWaalsContact O-CB 3.3Å; A15-F19 WeakPolarHBondContact O-CB 3.38Å; A15-F19 PolarHBondContact O-N 2.83Å; C16-F19 PolarHBondContact O-N 2.99Å; N17-F19 VanDerWaalsContact C-N 3.34Å; N17-F19 PolarHBondContact O-N 3.05Å; F19-V21 VanDerWaalsContact C-N 3.34Å; F19-V21 PolarHBondContact O-N 2.81Å; F19-Y22 PolarHBondContact O-N 3.48Å; F19-Y23 AromaticContact CD1-CD2 3.62Å; F19-Y23 HydrophobicContact CD1-CD2 3.62Å; F19-Y23 AromaticContact CD1-CE2 3.81Å; F19-Y23 HydrophobicContact CD1-CE2 3.81Å; F19-Y23 HydrophobicContact CD1-CG 4.38Å; F19-Y23 HydrophobicContact CD2-CD2 4.06Å; F19-Y23 AromaticContact CD2-CE2 3.68Å; F19-Y23 HydrophobicContact CD2-CE2 3.68Å; F19-Y23 AromaticContact CE1-CD2 3.48Å; F19-Y23 HydrophobicContact CE1-CD2 3.48Å; F19-Y23 VanDerWaalsContact CE1-CD2 3.48Å; F19-Y23 HydrophobicContact CE1-CE1 4.32Å; F19-Y23 AromaticContact CE1-CE2 3.28Å; F19-Y23 HydrophobicContact CE1-CE2 3.28Å; F19-Y23 HydrophobicContact CE1-CG 4.12Å; F19-Y23 AromaticContact CE1-CZ 3.69Å; F19-Y23 AromaticContact CE2-CD2 3.95Å; F19-Y23 HydrophobicContact CE2-CD2 3.95Å; F19-Y23 AromaticContact CE2-CE2 3.16Å; F19-Y23 HydrophobicContact CE2-CE2 3.16Å; F19-Y23 AromaticContact CE2-CZ 3.8Å; F19-Y23 AromaticContact CG-CD2 3.94Å; F19-Y23 HydrophobicContact CG-CD2 3.94Å; F19-Y23 HydrophobicContact CG-CE2 4Å; F19-Y23 AromaticContact CZ-CD2 3.68Å; F19-Y23 HydrophobicContact CZ-CD2 3.68Å; F19-Y23 HydrophobicContact CZ-CE1 4.22Å; F19-Y23 AromaticContact CZ-CE2 2.95Å; F19-Y23 HydrophobicContact CZ-CE2 2.95Å; F19-Y23 AromaticContact CZ-CZ 3.23Å; F19-Y23 VanDerWaalsContact CZ-OH 3.28Å; F19-Y23 WeakPolarHBondContact CZ-OH 3.41Å; F19-Y23 WeakPolarHBondContact O-CB 3.38Å; F19-Y23 VanDerWaalsContact O-CD2 3.24Å; F19-Y23 WeakPolarHBondContact O-CD2 3.23Å; F19-Y23 PolarHBondContact O-N 2.88Å
20L65.1Low66.2Low30 Ų30103.4 Ų103.416%0.15750%0.495CS..Hα-helixtrans-60.8-43.2176.7-72.4178.7000111.9C16 N17 Y23 K24 L35 T38C16-L20 WeakPolarHBondContact O-CB 3.06Å; C16-L20 VanDerWaalsContact O-CG 3.23Å; C16-L20 WeakPolarHBondContact O-CG 3.24Å; C16-L20 PolarHBondContact O-N 3.42Å; N17-L20 PolarHBondContact O-N 2.85Å; L20-Y23 PolarHBondContact O-N 3.32Å; L20-K24 VanDerWaalsContact O-CB 3.22Å; L20-K24 WeakPolarHBondContact O-CB 3.28Å; L20-K24 PolarHBondContact O-N 3.07Å; L20-L35 HydrophobicContact CB-CD1 4.26Å; L20-L35 HydrophobicContact CD1-CD1 3.81Å; L20-L35 HydrophobicContact CD2-CD1 3.82Å; L20-L35 HydrophobicContact CG-CD1 4.16Å; L20-T38 HydrophobicContact CD2-CG2 4.36Å
21V69.8Low66Low84 Ų84103.9 Ų103.951%0.50949%0.492SS..Hα-helixtrans-64.1-46.5175.8172.10000110.4N17 V18 F19 Y23 K24 M25N17-V21 WeakPolarHBondContact O-CB 3.41Å; N17-V21 VanDerWaalsContact O-CG2 3.26Å; N17-V21 WeakPolarHBondContact O-CG2 3.45Å; N17-V21 PolarHBondContact O-N 2.93Å; V18-V21 PolarHBondContact O-N 3.24Å; F19-V21 VanDerWaalsContact C-N 3.34Å; F19-V21 PolarHBondContact O-N 2.81Å; V21-Y23 VanDerWaalsContact C-N 3.33Å; V21-Y23 PolarHBondContact O-N 3.31Å; V21-K24 PolarHBondContact O-N 3.45Å; V21-M25 VanDerWaalsContact O-CG 3.29Å; V21-M25 WeakPolarHBondContact O-CG 3.19Å; V21-M25 PolarHBondContact O-N 3.13Å
22Y70.2Confident65.6Low120 Ų120101.2 Ų101.247%0.47149%0.491SS..Hα-helixtrans-58.3-44.6177.1-178.9-95.3000111.9V18 F19 M25 R26V18-Y22 VanDerWaalsContact O-CB 3.28Å; V18-Y22 WeakPolarHBondContact O-CB 3.31Å; V18-Y22 PolarHBondContact O-N 3.45Å; F19-Y22 PolarHBondContact O-N 3.48Å; Y22-M25 PolarHBondContact O-N 2.99Å; Y22-R26 VanDerWaalsContact O-CB 3.29Å; Y22-R26 WeakPolarHBondContact O-CB 3.46Å; Y22-R26 PolarHBondContact O-N 2.85Å; Y22-R26 PolarHBondContact OH-NH1 3.42Å
23Y64.5Low64.9Low102 Ų102106.4 Ų106.440%0.451%0.506SS..Hα-helixtrans-69.2-38.8176.8-88.2-104.2000112.3F19 L20 V21 M25 R26 W27F19-Y23 AromaticContact CD1-CD2 3.62Å; F19-Y23 HydrophobicContact CD1-CD2 3.62Å; F19-Y23 AromaticContact CD1-CE2 3.81Å; F19-Y23 HydrophobicContact CD1-CE2 3.81Å; F19-Y23 HydrophobicContact CD1-CG 4.38Å; F19-Y23 HydrophobicContact CD2-CD2 4.06Å; F19-Y23 AromaticContact CD2-CE2 3.68Å; F19-Y23 HydrophobicContact CD2-CE2 3.68Å; F19-Y23 AromaticContact CE1-CD2 3.48Å; F19-Y23 HydrophobicContact CE1-CD2 3.48Å; F19-Y23 VanDerWaalsContact CE1-CD2 3.48Å; F19-Y23 HydrophobicContact CE1-CE1 4.32Å; F19-Y23 AromaticContact CE1-CE2 3.28Å; F19-Y23 HydrophobicContact CE1-CE2 3.28Å; F19-Y23 HydrophobicContact CE1-CG 4.12Å; F19-Y23 AromaticContact CE1-CZ 3.69Å; F19-Y23 AromaticContact CE2-CD2 3.95Å; F19-Y23 HydrophobicContact CE2-CD2 3.95Å; F19-Y23 AromaticContact CE2-CE2 3.16Å; F19-Y23 HydrophobicContact CE2-CE2 3.16Å; F19-Y23 AromaticContact CE2-CZ 3.8Å; F19-Y23 AromaticContact CG-CD2 3.94Å; F19-Y23 HydrophobicContact CG-CD2 3.94Å; F19-Y23 HydrophobicContact CG-CE2 4Å; F19-Y23 AromaticContact CZ-CD2 3.68Å; F19-Y23 HydrophobicContact CZ-CD2 3.68Å; F19-Y23 HydrophobicContact CZ-CE1 4.22Å; F19-Y23 AromaticContact CZ-CE2 2.95Å; F19-Y23 HydrophobicContact CZ-CE2 2.95Å; F19-Y23 AromaticContact CZ-CZ 3.23Å; F19-Y23 VanDerWaalsContact CZ-OH 3.28Å; F19-Y23 WeakPolarHBondContact CZ-OH 3.41Å; F19-Y23 WeakPolarHBondContact O-CB 3.38Å; F19-Y23 VanDerWaalsContact O-CD2 3.24Å; F19-Y23 WeakPolarHBondContact O-CD2 3.23Å; F19-Y23 PolarHBondContact O-N 2.88Å; L20-Y23 PolarHBondContact O-N 3.32Å; V21-Y23 VanDerWaalsContact C-N 3.33Å; V21-Y23 PolarHBondContact O-N 3.31Å; Y23-M25 VanDerWaalsContact C-N 3.26Å; Y23-M25 PolarHBondContact O-N 3.2Å; Y23-R26 PolarHBondContact O-N 2.9Å; Y23-W27 PolarHBondContact O-N 3.4Å
24K65.3Low64.3Low127 Ų127109 Ų10955%0.55251%0.508SS*.Hα-helixtrans-61.2-36.2175.2-174.4-179.1179.6-179.10111.8L20 V21 R31L20-K24 VanDerWaalsContact O-CB 3.22Å; L20-K24 WeakPolarHBondContact O-CB 3.28Å; L20-K24 PolarHBondContact O-N 3.07Å; V21-K24 PolarHBondContact O-N 3.45Å; K24-R31 PolarHBondContact O-NE 2.86Å; K24-R31 PolarHBondContact O-NH2 3.24Å
25M69.9Low63.5Low151 Ų151107.9 Ų107.974%0.74450%0.502SS*.Hα-helixtrans-73-46.5174.7-69-64.8-144.300111.8V21 Y22 Y23V21-M25 VanDerWaalsContact O-CG 3.29Å; V21-M25 WeakPolarHBondContact O-CG 3.19Å; V21-M25 PolarHBondContact O-N 3.13Å; Y22-M25 PolarHBondContact O-N 2.99Å; Y23-M25 VanDerWaalsContact C-N 3.26Å; Y23-M25 PolarHBondContact O-N 3.2Å
26R68.2Low62.9Low152 Ų152109.7 Ų109.757%0.57450%0.503SS*.Hα-helixtrans-77.2-30.3-173.1-166.9173.9179173.4-2.7113.9Y22 Y23Y22-R26 VanDerWaalsContact O-CB 3.29Å; Y22-R26 WeakPolarHBondContact O-CB 3.46Å; Y22-R26 PolarHBondContact O-N 2.85Å; Y22-R26 PolarHBondContact OH-NH1 3.42Å; Y23-R26 PolarHBondContact O-N 2.9Å
27W65Low62.4Low112 Ų112113.7 Ų113.742%0.42452%0.521SS..  trans-135.878.3-174.3-6296.5000111.1Y23 E29 R30Y23-W27 PolarHBondContact O-N 3.4Å; W27-E29 PolarHBondContact O-N 2.67Å; W27-R30 HydrophobicContact CB-CB 4.3Å; W27-R30 PolarHBondContact O-N 3.35Å
28P63.3Low61.7Low63 Ų63111.3 Ų111.341%0.40951%0.51SS..THydrogen-bonded Turntrans-62.9-23.3-177.525.3-34.6000114.3R31P28-R31 VanDerWaalsContact CA-CZ 3.46Å; P28-R31 VanDerWaalsContact CA-NE 3.28Å; P28-R31 VanDerWaalsContact CB-CZ 3.42Å; P28-R31 VanDerWaalsContact CB-NH2 3.33Å; P28-R31 WeakPolarHBondContact O-CB 3.38Å; P28-R31 WeakPolarHBondContact O-CD 3.19Å; P28-R31 WeakPolarHBondContact O-CG 3.15Å; P28-R31 PolarHBondContact O-NE 3.4Å
29E63.1Low60.9Low186 Ų186110.3 Ų110.387%0.86950%0.504SS*.THydrogen-bonded Turntrans-93.5-17.5-174-71.3175.981.300113.8W27 R31W27-E29 PolarHBondContact O-N 2.67Å; E29-R31 PolarHBondContact O-N 3.37Å
30R57.7Low60.2Low148 Ų148109.1 Ų109.156%0.55851%0.505SS*.SBendtrans-89.420.3178.4-65.4-173-178.3-164.71.6113.3W27 V32 Y34W27-R30 HydrophobicContact CB-CB 4.3Å; W27-R30 PolarHBondContact O-N 3.35Å; R30-V32 PolarHBondContact O-N 3.45Å; R30-Y34 HydrophobicContact CB-CD2 4.46Å; R30-Y34 HydrophobicContact CB-CE2 4.47Å
31R55.2Low59.7Low123 Ų123109.4 Ų109.446%0.46452%0.515SS..THydrogen-bonded Turntrans-75.1-11.2-149-99.5-174.9-172.1157.85118.8K24 P28 E29K24-R31 PolarHBondContact O-NE 2.86Å; K24-R31 PolarHBondContact O-NH2 3.24Å; P28-R31 VanDerWaalsContact CA-CZ 3.46Å; P28-R31 VanDerWaalsContact CA-NE 3.28Å; P28-R31 VanDerWaalsContact CB-CZ 3.42Å; P28-R31 VanDerWaalsContact CB-NH2 3.33Å; P28-R31 WeakPolarHBondContact O-CB 3.38Å; P28-R31 WeakPolarHBondContact O-CD 3.19Å; P28-R31 WeakPolarHBondContact O-CG 3.15Å; P28-R31 PolarHBondContact O-NE 3.4Å; E29-R31 PolarHBondContact O-N 3.37Å
32V54.8Low58.9Low95 Ų95107.5 Ų107.558%0.57651%0.505SS*.THydrogen-bonded Turntrans-111.1-39.8-167.6-175.10000113.4R30 I36R30-V32 PolarHBondContact O-N 3.45Å; V32-I36 HydrophobicContact CG1-CD1 4.43Å
33Y51.1Low58Low187 Ų187110.4 Ų110.473%0.73352%0.515SS*.Hα-helixtrans-75.6-36.9-172.6-66-79.5000113.7I37Y33-I37 WeakPolarHBondContact O-CD1 3.36Å; Y33-I37 VanDerWaalsContact O-CG1 3.32Å; Y33-I37 WeakPolarHBondContact O-CG1 3.25Å; Y33-I37 PolarHBondContact O-N 2.94Å
34Y53.2Low57.4Low133 Ų133109.2 Ų109.252%0.52252%0.516SS..Hα-helixtrans-75.2-29.9-178.4-68.9-77.8000113.4R30 I36 I37 T38R30-Y34 HydrophobicContact CB-CD2 4.46Å; R30-Y34 HydrophobicContact CB-CE2 4.47Å; Y34-I36 VanDerWaalsContact C-N 3.32Å; Y34-I36 PolarHBondContact O-N 3.5Å; Y34-I37 PolarHBondContact O-N 2.76Å; Y34-T38 WeakPolarHBondContact O-CB 3.28Å; Y34-T38 PolarHBondContact O-N 2.76Å; Y34-T38 PolarHBondContact O-OG1 3.37Å
35L51.5Low56.7Low87 Ų87111 Ų11146%0.45552%0.519SS..Hα-helixtrans-63.2-42.4176.6-162.990.9000110.5L20 T39L20-L35 HydrophobicContact CB-CD1 4.26Å; L20-L35 HydrophobicContact CD1-CD1 3.81Å; L20-L35 HydrophobicContact CD2-CD1 3.82Å; L20-L35 HydrophobicContact CG-CD1 4.16Å; L35-T39 VanDerWaalsContact O-CB 3.31Å; L35-T39 WeakPolarHBondContact O-CB 3.49Å; L35-T39 PolarHBondContact O-N 3.18Å; L35-T39 PolarHBondContact O-OG1 3.44Å
36I55.8Low55.9Low96 Ų96108.7 Ų108.749%0.49251%0.506SS..Hα-helixtrans-68.6-46.6178.1-61.4170000110.1V32 Y34 T38 T39 V40V32-I36 HydrophobicContact CG1-CD1 4.43Å; Y34-I36 VanDerWaalsContact C-N 3.32Å; Y34-I36 PolarHBondContact O-N 3.5Å; I36-T38 VanDerWaalsContact C-N 3.33Å; I36-T38 PolarHBondContact O-N 3.31Å; I36-T39 PolarHBondContact O-N 2.96Å; I36-V40 HydrophobicContact CG2-CG2 3.85Å; I36-V40 WeakPolarHBondContact O-CB 3.48Å; I36-V40 WeakPolarHBondContact O-CG2 3.32Å; I36-V40 PolarHBondContact O-N 3.19Å
37I55.7Low54.9Low112 Ų112106.8 Ų106.857%0.57450%0.504SS*.Hα-helixtrans-63.6-38.4-179.2-65.4164.8000111.9Y33 Y34 G41Y33-I37 WeakPolarHBondContact O-CD1 3.36Å; Y33-I37 VanDerWaalsContact O-CG1 3.32Å; Y33-I37 WeakPolarHBondContact O-CG1 3.25Å; Y33-I37 PolarHBondContact O-N 2.94Å; Y34-I37 PolarHBondContact O-N 2.76Å; I37-G41 WeakPolarHBondContact O-CA 3.34Å; I37-G41 PolarHBondContact O-N 2.74Å
38T54.2Low53.8Low36 Ų36103.8 Ų103.822%0.22150%0.496CS..Hα-helixtrans-72.8-39.6179.8-42.40000110.7L20 Y34 I36 C42L20-T38 HydrophobicContact CD2-CG2 4.36Å; Y34-T38 WeakPolarHBondContact O-CB 3.28Å; Y34-T38 PolarHBondContact O-N 2.76Å; Y34-T38 PolarHBondContact O-OG1 3.37Å; I36-T38 VanDerWaalsContact C-N 3.33Å; I36-T38 PolarHBondContact O-N 3.31Å; T38-C42 VanDerWaalsContact O-CB 3.28Å; T38-C42 WeakPolarHBondContact O-CB 3.24Å; T38-C42 PolarHBondContact O-N 3.14Å; T38-C42 PolarHBondContact O-SG 2.96Å
39T55.3Low52.8Low73 Ų73105.4 Ų105.445%0.44850%0.498SS..Hα-helixtrans-69.2-44.6176.9-50.90000111.2L35 I36 C42 W43L35-T39 VanDerWaalsContact O-CB 3.31Å; L35-T39 WeakPolarHBondContact O-CB 3.49Å; L35-T39 PolarHBondContact O-N 3.18Å; L35-T39 PolarHBondContact O-OG1 3.44Å; I36-T39 PolarHBondContact O-N 2.96Å; T39-C42 PolarHBondContact O-N 3.36Å; T39-W43 WeakPolarHBondContact O-CB 3.38Å; T39-W43 PolarHBondContact O-N 3.23Å
40V54.5Low51.8Low75 Ų75101.1 Ų101.146%0.45549%0.488SS..Hα-helixtrans-68-37.4176.1174.20000110.9I36 W43 N44I36-V40 HydrophobicContact CG2-CG2 3.85Å; I36-V40 WeakPolarHBondContact O-CB 3.48Å; I36-V40 WeakPolarHBondContact O-CG2 3.32Å; I36-V40 PolarHBondContact O-N 3.19Å; V40-W43 PolarHBondContact O-N 2.65Å; V40-N44 VanDerWaalsContact O-CB 3.25Å; V40-N44 WeakPolarHBondContact O-CB 3.43Å; V40-N44 PolarHBondContact O-N 3Å
41G55.4Low51.1Low36 Ų3699.3 Ų99.337%0.37149%0.489SS..Hα-helixtrans-68.8-38.6176.400000113.2I37 R45I37-G41 WeakPolarHBondContact O-CA 3.34Å; I37-G41 PolarHBondContact O-N 2.74Å; G41-R45 PolarHBondContact O-N 3.03Å
42C52.4Low50.4Low43 Ų4396.7 Ų96.729%0.29149%0.489SS..Hα-helixtrans-69.1-39.3171.6-73.70000111.9C16 T38 T39 R45 H46C16-C42 PolarHBondContact SG-SG 3.27Å; T38-C42 VanDerWaalsContact O-CB 3.28Å; T38-C42 WeakPolarHBondContact O-CB 3.24Å; T38-C42 PolarHBondContact O-N 3.14Å; T38-C42 PolarHBondContact O-SG 2.96Å; T39-C42 PolarHBondContact O-N 3.36Å; C42-R45 PolarHBondContact O-N 3.49Å; C42-H46 PolarHBondContact O-N 3.06Å
43W51.8Low49.9Very low182 Ų182100.4 Ų100.469%0.68950%0.499SS*.Hα-helixtrans-67.9-40.7175.6-165.5-82.4000112.2T39 V40 H46 Q47T39-W43 WeakPolarHBondContact O-CB 3.38Å; T39-W43 PolarHBondContact O-N 3.23Å; V40-W43 PolarHBondContact O-N 2.65Å; W43-H46 WeakPolarHBondContact O-CB 3.23Å; W43-H46 PolarHBondContact O-N 3.39Å; W43-H46 VanDerWaalsContact O-N 3.14Å; W43-Q47 PolarHBondContact O-N 2.96Å
44N52.1Low49.5Very low76 Ų7699.9 Ų99.941%0.40650%0.503SS..Hα-helixtrans-65.1-39.5175-101.91.6000111.1V40 H46 Q47 L48V40-N44 VanDerWaalsContact O-CB 3.25Å; V40-N44 WeakPolarHBondContact O-CB 3.43Å; V40-N44 PolarHBondContact O-N 3Å; N44-H46 VanDerWaalsContact C-N 3.26Å; N44-H46 PolarHBondContact O-N 3.44Å; N44-Q47 PolarHBondContact O-N 3.26Å; N44-L48 HydrophobicContact CB-CD1 4.19Å; N44-L48 VanDerWaalsContact O-CB 3.23Å; N44-L48 WeakPolarHBondContact O-CB 3.3Å; N44-L48 WeakPolarHBondContact O-CD1 3.42Å; N44-L48 PolarHBondContact O-N 2.96Å
45R51.4Low48.5Very low166 Ų16697 Ų9763%0.62651%0.514SS*.Hα-helixtrans-60.4-36.1171.7-87.7-165.4-172.5-154.73112.8G41 C42 Q49G41-R45 PolarHBondContact O-N 3.03Å; C42-R45 PolarHBondContact O-N 3.49Å; R45-Q49 WeakPolarHBondContact O-CB 3.19Å; R45-Q49 PolarHBondContact O-N 3.05Å
46H52.1Low47.8Very low101 Ų101100 Ų10047%0.46853%0.53SS..Hα-helixtrans-67.6-37.4176.4-112-110.7000112.9M9 C42 W43 N44M9-H46 PolarHBondContact SD-NE2 2.81Å; M9-H46 VanDerWaalsContact SD-NE2 3.37Å; C42-H46 PolarHBondContact O-N 3.06Å; W43-H46 WeakPolarHBondContact O-CB 3.23Å; W43-H46 PolarHBondContact O-N 3.39Å; W43-H46 VanDerWaalsContact O-N 3.14Å; N44-H46 VanDerWaalsContact C-N 3.26Å; N44-H46 PolarHBondContact O-N 3.44Å
47Q47.3Very low46.9Very low113 Ų113103.2 Ų103.253%0.52855%0.549SS..Hα-helixtrans-74.6-40.8172.9-73.3-112.2-66.500111.9W43 N44 S50 I51W43-Q47 PolarHBondContact O-N 2.96Å; N44-Q47 PolarHBondContact O-N 3.26Å; Q47-S50 PolarHBondContact O-N 3.4Å; Q47-I51 WeakPolarHBondContact O-CB 3.25Å; Q47-I51 VanDerWaalsContact O-CD1 3.25Å; Q47-I51 WeakPolarHBondContact O-CD1 3.5Å; Q47-I51 WeakPolarHBondContact O-CG1 3.45Å; Q47-I51 PolarHBondContact O-N 3.36Å; Q47-I51 VanDerWaalsContact O-N 3.12Å
48L42.2Very low45.8Very low48 Ų48104.4 Ų104.425%0.25155%0.554SS.*Hα-helixtrans-65.4-41179.7-93.3134.7000113.6N44 I51 C52 I61N44-L48 HydrophobicContact CB-CD1 4.19Å; N44-L48 VanDerWaalsContact O-CB 3.23Å; N44-L48 WeakPolarHBondContact O-CB 3.3Å; N44-L48 WeakPolarHBondContact O-CD1 3.42Å; N44-L48 PolarHBondContact O-N 2.96Å; L48-I51 PolarHBondContact O-N 3.12Å; L48-C52 WeakPolarHBondContact O-CB 3.13Å; L48-C52 PolarHBondContact O-N 2.96Å; L48-I61 HydrophobicContact CD1-CD1 3.74Å; L48-I61 HydrophobicContact CD2-CB 4.47Å; L48-I61 HydrophobicContact CD2-CD1 3.36Å; L48-I61 HydrophobicContact CD2-CG1 3.91Å; L48-I61 HydrophobicContact CG-CD1 3.42Å; L48-I61 VanDerWaalsContact CG-CD1 3.42Å; L48-I61 HydrophobicContact CG-CG1 4.46Å
49Q42.2Very low45Very low97 Ų97106.7 Ų106.745%0.45357%0.571SS.*Hα-helixtrans-74.5-29.2178.9-78.3-172.6-19.300113R45 I51R45-Q49 WeakPolarHBondContact O-CB 3.19Å; R45-Q49 PolarHBondContact O-N 3.05Å; Q49-I51 VanDerWaalsContact C-N 3.32Å
50S41.9Very low43.8Very low96 Ų96108.7 Ų108.767%0.67158%0.583SS**Hα-helixtrans-73.3-25.4173-176.50000112.6Q47Q47-S50 PolarHBondContact O-N 3.4Å
51I42.7Very low42.9Very low110 Ų110110.2 Ų110.256%0.56459%0.588SS**Hα-helixtrans-89.6-39.8-179.2-65.8165000111.1Q47 L48 Q49 H53Q47-I51 WeakPolarHBondContact O-CB 3.25Å; Q47-I51 VanDerWaalsContact O-CD1 3.25Å; Q47-I51 WeakPolarHBondContact O-CD1 3.5Å; Q47-I51 WeakPolarHBondContact O-CG1 3.45Å; Q47-I51 PolarHBondContact O-N 3.36Å; Q47-I51 VanDerWaalsContact O-N 3.12Å; L48-I51 PolarHBondContact O-N 3.12Å; Q49-I51 VanDerWaalsContact C-N 3.32Å; I51-H53 PolarHBondContact O-N 2.12Å
52C41.5Very low41.9Very low69 Ų69120.6 Ų120.647%0.46663%0.629SS.*THydrogen-bonded Turntrans-83.115-175.6-66.10000114.2L48 C59L48-C52 WeakPolarHBondContact O-CB 3.13Å; L48-C52 PolarHBondContact O-N 2.96Å; C52-C59 WeakPolarHBondContact CB-SG 3.42Å; C52-C59 WeakPolarHBondContact SG-CB 3.38Å; C52-C59 CovalentContact SG-SG 2.12Å; C52-C59 PolarHBondContact SG-SG 3.19Å
53H44.3Very low41.3Very low173 Ų173124.5 Ų124.580%0.80165%0.646SS**THydrogen-bonded Turntrans-106.38.7173.6-124.6-101.9000114.7I51I51-H53 PolarHBondContact O-N 2.12Å
54H42Very low40.8Very low175 Ų175121.4 Ų121.481%0.8164%0.644SS**SBendtrans-137.864-176.9-136.1-90000112.6
55G32.8Very low40.1Very low72 Ų72123.9 Ų123.974%0.74266%0.657SS**SBendtrans77.1148.616500000116.1
56N35.4Very low39.5Very low151 Ų151121.5 Ų121.581%0.80766%0.659SS**  trans76.691.8175.3-84.82.3000118I58N56-I58 PolarHBondContact O-N 3.26Å
57D38.5Very low38.7Very low164 Ų164122.8 Ų122.888%0.87767%0.671SS**SBend20.67.1128.2-74.5-91.4000124.7
58I32.9Very low38.1Very low136 Ų136123.4 Ų123.470%0.69768%0.68SS**  trans-142.978.6-179.4-48.1176.7000110.7N56 V60N56-I58 PolarHBondContact O-N 3.26Å; I58-V60 VanDerWaalsContact C-N 3.34Å; I58-V60 HydrophobicContact CG2-CB 4.36Å; I58-V60 HydrophobicContact CG2-CG2 3.63Å; I58-V60 PolarHBondContact O-N 2.74Å
59C37.2Very low37.8Very low84 Ų84128.8 Ų128.857%0.56871%0.711SS**  trans-89.677.2169.1-141.90000105.9C52C52-C59 WeakPolarHBondContact CB-SG 3.42Å; C52-C59 WeakPolarHBondContact SG-CB 3.38Å; C52-C59 CovalentContact SG-SG 2.12Å; C52-C59 PolarHBondContact SG-SG 3.19Å
60V30Very low37.5Very low116 Ų116131.2 Ų131.270%0.70373%0.731SS**  trans-95.6111.8168.7172.20000107.4I58I58-V60 VanDerWaalsContact C-N 3.34Å; I58-V60 HydrophobicContact CG2-CB 4.36Å; I58-V60 HydrophobicContact CG2-CG2 3.63Å; I58-V60 PolarHBondContact O-N 2.74Å
61I34.7Very low37.1Very low107 Ų107134.2 Ų134.255%0.54974%0.736SS.*  trans-134.5125.3162.6-57.8-162.5000108.4L48L48-I61 HydrophobicContact CD1-CD1 3.74Å; L48-I61 HydrophobicContact CD2-CB 4.47Å; L48-I61 HydrophobicContact CD2-CD1 3.36Å; L48-I61 HydrophobicContact CD2-CG1 3.91Å; L48-I61 HydrophobicContact CG-CD1 3.42Å; L48-I61 VanDerWaalsContact CG-CD1 3.42Å; L48-I61 HydrophobicContact CG-CG1 4.46Å
62M33.7Very low36.6Very low253 Ų253136.4 Ų136.4100%1.24675%0.752SS**  trans-550171.1-70.4172.6141.400113.2

Retrieved 62 of 62 residues in 57.6 ms (Link to these results)