G4VMB5_SCHMA Loading...

60S ribosomal protein L44

AlphaFold DB , UniProt , Accession G4VMB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 106 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
1M81.1Confident94.4Very high168 Ų16882.2 Ų82.283%0.82842%0.416SS*.  01320-172.7156.876.100108.8E92M1-E92 WeakPolarHBondContact CE-OE1 3.23Å; M1-E92 HydrophobicContact CG-CG 4.38Å
2V94.3Very high94.6Very high56 Ų5675.6 Ų75.634%0.33938%0.383SS..EExtended strand (participates in β ladder)trans-109.4116.9175.1-179.20000108.6I4 C88 H90 F91 E92V2-I4 HydrophobicContact CG1-CG1 4.32Å; V2-C88 HydrophobicContact CB-CB 4.45Å; V2-C88 HydrophobicContact CG2-CB 3.66Å; V2-H90 PolarHBondContact N-O 3.19Å; V2-F91 HydrophobicContact CB-CD2 4.34Å; V2-F91 HydrophobicContact CG1-CD2 4.29Å; V2-F91 WeakPolarHBondContact O-CA 3.4Å; V2-E92 PolarHBondContact O-N 3.22Å
3N94.5Very high94.6Very high56 Ų5682.3 Ų82.330%0.29941%0.408SS..EExtended strand (participates in β ladder)trans-105.8130.7177.1-174.35.4000109.9E92 G94 G95 D96N3-E92 HydrophobicContact CB-CG 3.82Å; N3-E92 WeakPolarHBondContact CB-OE1 3.49Å; N3-G94 PolarHBondContact OD1-N 3.09Å; N3-G95 PolarHBondContact ND2-O 3.29Å; N3-G95 PolarHBondContact OD1-N 3.49Å; N3-D96 PolarHBondContact ND2-O 3.49Å
4I94.4Very high94.6Very high25 Ų2577.9 Ų77.913%0.12839%0.39CS..EExtended strand (participates in β ladder)trans-123.9134.3175.3-64.5-169.9000109.5V2 V25 L70 I85 F91 E92 L93 G94V2-I4 HydrophobicContact CG1-CG1 4.32Å; I4-V25 HydrophobicContact CG2-CG1 4.15Å; I4-L70 HydrophobicContact CD1-CD1 3.69Å; I4-L70 HydrophobicContact CD1-CD2 4.18Å; I4-L70 HydrophobicContact CD1-CG 4.44Å; I4-L70 HydrophobicContact CG2-CD1 4.08Å; I4-I85 HydrophobicContact CD1-CD1 4.07Å; I4-I85 HydrophobicContact CD1-CG2 4.14Å; I4-F91 HydrophobicContact CB-CE2 4.16Å; I4-F91 HydrophobicContact CD1-CE2 3.64Å; I4-F91 HydrophobicContact CD1-CZ 4.31Å; I4-F91 HydrophobicContact CG1-CE2 3.8Å; I4-E92 PolarHBondContact N-O 3.22Å; I4-E92 VanDerWaalsContact N-O 3.09Å; I4-L93 CarbonylContact O-C 3.56Å; I4-L93 WeakPolarHBondContact O-CA 3.35Å; I4-G94 PolarHBondContact O-N 2.67Å
5P96.2Very high94.5Very high75 Ų7579.2 Ų79.249%0.48741%0.409SS..  trans-63.9147.9178.528-36.6000111.9T7 V25P5-T7 WeakPolarHBondContact CB-O 3.45Å; P5-T7 WeakPolarHBondContact CG-O 3.38Å; P5-T7 PolarHBondContact O-N 3.5Å; P5-V25 WeakPolarHBondContact O-CB 3.18Å; P5-V25 WeakPolarHBondContact O-CG2 3.48Å
6K96.5Very high94.4Very high127 Ų12785.4 Ų85.455%0.55243%0.432SS*.SBendtrans-69.1-14.4176.5-70176.1-177.5171.40113.1V25 L93K6-V25 PolarHBondContact O-N 3.14Å; K6-L93 WeakPolarHBondContact CE-O 3.27Å; K6-L93 HydrophobicContact CG-CB 4.36Å
7T95.9Very high94.4Very high80 Ų8081.3 Ų81.349%0.49141%0.413SS..EExtended strand (participates in β ladder)trans-128.9143.6176.553.40000110.2P5 H23P5-T7 WeakPolarHBondContact CB-O 3.45Å; P5-T7 WeakPolarHBondContact CG-O 3.38Å; P5-T7 PolarHBondContact O-N 3.5Å; T7-H23 CarbonylContact C-O 3.46Å; T7-H23 WeakPolarHBondContact CA-O 3.35Å
8R95.6Very high94.3Very high114 Ų11485.1 Ų85.143%0.4343%0.426SS..EExtended strand (participates in β ladder)trans-148.1129.7176.6-178.6176.7176170.41110.1H23 V25R8-H23 PolarHBondContact N-O 2.81Å; R8-H23 WeakPolarHBondContact O-CB 3.2Å; R8-H23 PolarHBondContact O-N 3.14Å; R8-V25 HydrophobicContact CB-CG2 3.89Å
9N96.2Very high94.4Very high104 Ų10486.7 Ų86.756%0.55643%0.43SS*.EExtended strand (participates in β ladder)trans-78.9123.5169.3-163.6-4.2000109.4T21N9-T21 PolarHBondContact OD1-N 3.21Å; N9-T21 VanDerWaalsContact OD1-N 3.14Å; N9-T21 PolarHBondContact OD1-O 3.41Å; N9-T21 VanDerWaalsContact OD1-O 3.04Å
10T96.8Very high94.5Very high20 Ų2088.6 Ų88.612%0.12344%0.437CS..EExtended strand (participates in β ladder)trans-156163.7179.2-1660000110.9C12 H20 T21 H23 L72T10-C12 PolarHBondContact O-N 3.49Å; T10-H20 VanDerWaalsContact C-CD2 3.45Å; T10-H20 WeakPolarHBondContact O-CA 3.39Å; T10-T21 PolarHBondContact N-O 2.93Å; T10-T21 VanDerWaalsContact N-O 3.12Å; T10-T21 PolarHBondContact O-N 3.15Å; T10-H23 HydrophobicContact CG2-CB 4.39Å; T10-H23 WeakPolarHBondContact CG2-ND1 3.3Å; T10-H23 PolarHBondContact O-CE1 3.46Å; T10-L72 HydrophobicContact CG2-CD1 4.24Å
11F97.1Very high94.6Very high79 Ų7984.6 Ų84.635%0.34642%0.418SS..EExtended strand (participates in β ladder)trans-62.9123.4-179.8-173.3-100.7000112.1K13 K18 H20F11-K13 HydrophobicContact CD1-CG 3.88Å; F11-K13 HydrophobicContact CE1-CB 4.43Å; F11-K13 HydrophobicContact CE1-CG 3.86Å; F11-K18 VanDerWaalsContact CE2-O 3.29Å; F11-K18 WeakPolarHBondContact CE2-O 3.21Å; F11-H20 PolarHBondContact N-CD2 2.99Å; F11-H20 VanDerWaalsContact N-CD2 3.28Å
12C96.6Very high95.4Very high3 Ų380.9 Ų80.92%0.0240%0.401CS..  trans-91.8119.2170.4-175.20000110.4T10 S14 C17 K18 K19 T21 C77T10-C12 PolarHBondContact O-N 3.49Å; C12-S14 VanDerWaalsContact C-N 3.27Å; C12-S14 PolarHBondContact O-N 2.96Å; C12-C17 HydrophobicContact CB-CB 3.8Å; C12-K18 WeakPolarHBondContact O-CA 3.29Å; C12-K18 PolarHBondContact O-N 3.47Å; C12-K19 PolarHBondContact N-O 3.08Å; C12-T21 WeakPolarHBondContact CB-OG1 3.48Å; C12-C77 PolarHBondContact SG-SG 3.44Å
13K95.1Very high95.5Very high163 Ų16378.3 Ų78.371%0.70939%0.385SS*.  trans-78.1-5.6179-64.9-169.4172.8-165.80114.3F11 S15F11-K13 HydrophobicContact CD1-CG 3.88Å; F11-K13 HydrophobicContact CE1-CB 4.43Å; F11-K13 HydrophobicContact CE1-CG 3.86Å; K13-S15 PolarHBondContact O-N 3.39Å
14S93.6Very high95.7Very high21 Ų2182.1 Ų82.115%0.14740%0.399CS..SBendtrans-61.8139.5179.3-1770000110.1C12 K16 C17 K18 C77C12-S14 VanDerWaalsContact C-N 3.27Å; C12-S14 PolarHBondContact O-N 2.96Å; S14-K16 PolarHBondContact O-N 2.95Å; S14-K16 VanDerWaalsContact O-N 3.14Å; S14-K16 PolarHBondContact OG-N 3.06Å; S14-C17 PolarHBondContact O-N 2.95Å; S14-K18 WeakPolarHBondContact O-CG 3.44Å; S14-K18 PolarHBondContact O-N 2.88Å; S14-C77 WeakPolarHBondContact CB-SG 3.37Å
15S93.2Very high95.8Very high97 Ų9781.1 Ų81.168%0.67839%0.394SS*.THydrogen-bonded Turntrans-53.9-31.2175.150.40000112.7K13 C17K13-S15 PolarHBondContact O-N 3.39Å; S15-C17 PolarHBondContact O-N 3.4Å
16K92.6Very high95.9Very high179 Ų17979.9 Ų79.978%0.77839%0.385SS*.THydrogen-bonded Turntrans-71.9-22.3178.4-59.6-174.8179.8-174.30114.4S14 C77S14-K16 PolarHBondContact O-N 2.95Å; S14-K16 VanDerWaalsContact O-N 3.14Å; S14-K16 PolarHBondContact OG-N 3.06Å; K16-C77 HydrophobicContact CB-CB 4.23Å; K16-C77 HydrophobicContact CD-CB 4.5Å
17C94.2Very high95.8Very high15 Ų1578.4 Ų78.410%0.10138%0.38CS..THydrogen-bonded Turntrans-114.1-57.4-175.1-65.90000112.2C12 S14 S15 K19 T21 C77C12-C17 HydrophobicContact CB-CB 3.8Å; S14-C17 PolarHBondContact O-N 2.95Å; S15-C17 PolarHBondContact O-N 3.4Å; C17-K19 WeakPolarHBondContact O-CB 3.43Å; C17-K19 VanDerWaalsContact O-CG 3.27Å; C17-K19 WeakPolarHBondContact O-CG 3.49Å; C17-K19 PolarHBondContact O-N 2.93Å; C17-T21 HydrophobicContact CB-CG2 4.34Å; C17-C77 VanDerWaalsContact SG-CB 3.57Å
18K94Very high95.9Very high149 Ų14979.3 Ų79.365%0.64838%0.375SS*.  trans41.530.5-173.5-61.4-175.7-1781790114.8F11 C12 S14F11-K18 VanDerWaalsContact CE2-O 3.29Å; F11-K18 WeakPolarHBondContact CE2-O 3.21Å; C12-K18 WeakPolarHBondContact O-CA 3.29Å; C12-K18 PolarHBondContact O-N 3.47Å; S14-K18 WeakPolarHBondContact O-CG 3.44Å; S14-K18 PolarHBondContact O-N 2.88Å
19K95.6Very high95.9Very high116 Ų11682 Ų8250%0.50439%0.39SS..SBendtrans-145.2168.7-175.471.9-170.1177.3-179.40111.6C12 C17 T21C12-K19 PolarHBondContact N-O 3.08Å; C17-K19 WeakPolarHBondContact O-CB 3.43Å; C17-K19 VanDerWaalsContact O-CG 3.27Å; C17-K19 WeakPolarHBondContact O-CG 3.49Å; C17-K19 PolarHBondContact O-N 2.93Å; K19-T21 HydrophobicContact CG-CG2 3.94Å; K19-T21 PolarHBondContact O-N 3.4Å
20H96.8Very high95.9Very high125 Ų12583.8 Ų83.858%0.57939%0.393SS*.EExtended strand (participates in β ladder)trans-69122.9172.9-75.686.3000109.8T10 F11T10-H20 VanDerWaalsContact C-CD2 3.45Å; T10-H20 WeakPolarHBondContact O-CA 3.39Å; F11-H20 PolarHBondContact N-CD2 2.99Å; F11-H20 VanDerWaalsContact N-CD2 3.28Å
21T96.3Very high95.9Very high5 Ų585.5 Ų85.53%0.03141%0.414CS..EExtended strand (participates in β ladder)trans-135.1157.8-179.5540000109.9N9 T10 C12 C17 K19 H23 C74 Q76N9-T21 PolarHBondContact OD1-N 3.21Å; N9-T21 VanDerWaalsContact OD1-N 3.14Å; N9-T21 PolarHBondContact OD1-O 3.41Å; N9-T21 VanDerWaalsContact OD1-O 3.04Å; T10-T21 PolarHBondContact N-O 2.93Å; T10-T21 VanDerWaalsContact N-O 3.12Å; T10-T21 PolarHBondContact O-N 3.15Å; C12-T21 WeakPolarHBondContact CB-OG1 3.48Å; C17-T21 HydrophobicContact CB-CG2 4.34Å; K19-T21 HydrophobicContact CG-CG2 3.94Å; K19-T21 PolarHBondContact O-N 3.4Å; T21-H23 PolarHBondContact O-CE1 3.39Å; T21-H23 PolarHBondContact O-N 3Å; T21-H23 PolarHBondContact O-ND1 2.92Å; T21-H23 PolarHBondContact OG1-CE1 3.32Å; T21-C74 PolarHBondContact OG1-SG 3.05Å; T21-Q76 HydrophobicContact CG2-CG 4.5Å; T21-Q76 VanDerWaalsContact CG2-OE1 3.29Å
22L97.5Very high95.9Very high89 Ų8991.5 Ų91.547%0.46644%0.44SS..EExtended strand (participates in β ladder)trans-67.5126173.6-165.565000110S75L22-S75 WeakPolarHBondContact O-CB 3.45Å; L22-S75 PolarHBondContact O-N 2.89Å; L22-S75 PolarHBondContact O-OG 2.94Å; L22-S75 VanDerWaalsContact O-OG 3.08Å
23H97.5Very high95.9Very high3 Ų396.6 Ų96.61%0.01447%0.467CS..EExtended strand (participates in β ladder)trans-111.6134.5174.4-68.465.6000110.6T7 R8 T10 T21 L72 E73 C74T7-H23 CarbonylContact C-O 3.46Å; T7-H23 WeakPolarHBondContact CA-O 3.35Å; R8-H23 PolarHBondContact N-O 2.81Å; R8-H23 WeakPolarHBondContact O-CB 3.2Å; R8-H23 PolarHBondContact O-N 3.14Å; T10-H23 HydrophobicContact CG2-CB 4.39Å; T10-H23 WeakPolarHBondContact CG2-ND1 3.3Å; T10-H23 PolarHBondContact O-CE1 3.46Å; T21-H23 PolarHBondContact O-CE1 3.39Å; T21-H23 PolarHBondContact O-N 3Å; T21-H23 PolarHBondContact O-ND1 2.92Å; T21-H23 PolarHBondContact OG1-CE1 3.32Å; H23-L72 HydrophobicContact CB-CB 4.11Å; H23-E73 CarbonylContact C-O 3.55Å; H23-E73 WeakPolarHBondContact CA-O 3.28Å; H23-C74 PolarHBondContact CD2-N 2.98Å
24K97.5Very high96Very high136 Ų13692.4 Ų92.459%0.59146%0.459SS*.EExtended strand (participates in β ladder)trans-75.5123.7165.5-172.8174.8-178.6175.80108.4L72 E73K24-L72 WeakPolarHBondContact O-CA 3.34Å; K24-E73 PolarHBondContact N-O 2.82Å; K24-E73 PolarHBondContact O-N 2.81Å
25V97.5Very high96.1Very high4 Ų496.4 Ų96.42%0.02448%0.478CS..EExtended strand (participates in β ladder)trans-94.5128.2-179.7-169.10000108.3I4 P5 K6 R8 L70 L72 L93I4-V25 HydrophobicContact CG2-CG1 4.15Å; P5-V25 WeakPolarHBondContact O-CB 3.18Å; P5-V25 WeakPolarHBondContact O-CG2 3.48Å; K6-V25 PolarHBondContact O-N 3.14Å; R8-V25 HydrophobicContact CB-CG2 3.89Å; V25-L70 HydrophobicContact CG1-CB 4.09Å; V25-L70 HydrophobicContact CG1-CD1 4.06Å; V25-L70 HydrophobicContact CG1-CD2 4.09Å; V25-L70 HydrophobicContact CG1-CG 4.31Å; V25-L72 HydrophobicContact CB-CD2 4.18Å; V25-L72 HydrophobicContact CG1-CD2 3.97Å; V25-L72 HydrophobicContact CG2-CD2 3.65Å; V25-L93 HydrophobicContact CB-CD2 4.25Å; V25-L93 HydrophobicContact CG1-CD2 4.1Å; V25-L93 WeakPolarHBondContact O-CD2 3.43Å
26T96.7Very high96.3Very high49 Ų49100.7 Ų100.730%0.30148%0.48SS..EExtended strand (participates in β ladder)trans-133.6156.9173.854.70000109.9L70 R71T26-L70 CarbonylContact O-C 3.56Å; T26-L70 WeakPolarHBondContact O-CA 3.05Å; T26-R71 PolarHBondContact N-O 3.37Å; T26-R71 PolarHBondContact O-N 2.65Å; T26-R71 WeakPolarHBondContact OG1-CB 3.47Å; T26-R71 PolarHBondContact OG1-O 2.83Å; T26-R71 VanDerWaalsContact OG1-O 3.06Å
27Q96.3Very high96.5Very high95 Ų9594.6 Ų94.644%0.44446%0.463SS..EExtended strand (participates in β ladder)trans-77.5131.3171.9-168-178.228.500109.7I68 F91 L93Q27-I68 HydrophobicContact CG-CG2 4.21Å; Q27-F91 HydrophobicContact CB-CE1 4.48Å; Q27-F91 HydrophobicContact CG-CE1 4.25Å; Q27-L93 HydrophobicContact CB-CD1 4.28Å
28Y96.9Very high96.7Very high99 Ų9999.9 Ų99.939%0.38849%0.486SS..  trans-65134.2171171.3-103.6000110.8V69Y28-V69 WeakPolarHBondContact CB-O 3.39Å; Y28-V69 HydrophobicContact CD1-CB 4.3Å; Y28-V69 HydrophobicContact CG-CB 4.29Å; Y28-V69 HydrophobicContact CG-CG1 4.42Å; Y28-V69 PolarHBondContact N-O 3.34Å
29K96.2Very high96.8Very high170 Ų17094.9 Ų94.974%0.73948%0.477SS*.  trans-117.1137.5169.9-65.5-174.7178.1-176.90108.8G31K29-G31 PolarHBondContact O-N 3.12Å
30K96.4Very high96.9Very high143 Ų14393 Ų9362%0.62247%0.469SS*.PPolyproline II helixtrans-65.8131.2172.2-169.4-163.5170.7-163.80108.2D33K30-D33 WeakPolarHBondContact CE-OD1 3.33Å; K30-D33 IonicContact NZ-OD1 2.78Å; K30-D33 PolarHBondContact NZ-OD1 3.04Å; K30-D33 IonicContact NZ-OD2 2.81Å; K30-D33 PolarHBondContact NZ-OD2 3.49Å
31G96.2Very high96.9Very high55 Ų5594 Ų9457%0.56747%0.467SS*.PPolyproline II helixtrans-72.9171.1171.500000112.6K29K29-G31 PolarHBondContact O-N 3.12Å
32K97.4Very high97Very high206 Ų20699.6 Ų99.690%0.89649%0.488SS*.PPolyproline II helixtrans-63138.9170.8-177.5178.7177.5179.90109.8
33D96.6Very high97Very high110 Ų11098.7 Ų98.759%0.58848%0.479SS*.PPolyproline II helixtrans-70.8132.1176.3-65.7-34000109.9K30K30-D33 WeakPolarHBondContact CE-OD1 3.33Å; K30-D33 IonicContact NZ-OD1 2.78Å; K30-D33 PolarHBondContact NZ-OD1 3.04Å; K30-D33 IonicContact NZ-OD2 2.81Å; K30-D33 PolarHBondContact NZ-OD2 3.49Å
34S97Very high96.9Very high75 Ų75101.7 Ų101.752%0.52450%0.495SS..PPolyproline II helixtrans-78.8134.5178.9177.80000111.4Y36S34-Y36 PolarHBondContact OG-N 3.19Å
35L95.9Very high96.8Very high104 Ų104104.1 Ų104.155%0.54550%0.501SS..THydrogen-bonded Turntrans-73.1-28.6179.1-63177.7000113A37 K40L35-A37 VanDerWaalsContact C-N 3.34Å; L35-K40 HydrophobicContact CD2-CG 4.42Å; L35-K40 WeakPolarHBondContact O-CG 3.46Å
36Y96.1Very high96.8Very high188 Ų188109.5 Ų109.574%0.73752%0.523SS*.THydrogen-bonded Turntrans-88.1-3.6-174.5-56.6-71.1000113.7S34 Q38 R41S34-Y36 PolarHBondContact OG-N 3.19Å; Y36-Q38 PolarHBondContact O-N 3.28Å; Y36-R41 PolarHBondContact O-NE 2.85Å
37A97.4Very high96.8Very high50 Ų50109.8 Ų109.841%0.41352%0.521SS..SBendtrans-57.6137.1173.100000110.1L35 G39 K40 R41L35-A37 VanDerWaalsContact C-N 3.34Å; A37-G39 PolarHBondContact O-N 3.36Å; A37-G39 VanDerWaalsContact O-N 3.08Å; A37-K40 PolarHBondContact O-N 2.8Å; A37-R41 PolarHBondContact O-N 2.83Å
38Q98.1Very high96.7Very high127 Ų127109.4 Ų109.459%0.59353%0.529SS*.Hα-helixtrans-52-39.2-174.7-170-167.119.500112.9Y36 R42Y36-Q38 PolarHBondContact O-N 3.28Å; Q38-R42 WeakPolarHBondContact O-CB 3.43Å; Q38-R42 PolarHBondContact O-N 2.89Å
39G96.8Very high96.6Very high44 Ų44108 Ų10845%0.45455%0.545SS..Hα-helixtrans-64.3-39.4177.900000113.7A37 Y43A37-G39 PolarHBondContact O-N 3.36Å; A37-G39 VanDerWaalsContact O-N 3.08Å; G39-Y43 WeakPolarHBondContact O-CB 3.43Å; G39-Y43 PolarHBondContact O-N 3.27Å
40K97.7Very high96.5Very high76 Ų76111.5 Ų111.533%0.3356%0.555SS.*Hα-helixtrans-71.7-46.2178-179.651.8174.8163.70111L35 A37 R42 Y43 D44L35-K40 HydrophobicContact CD2-CG 4.42Å; L35-K40 WeakPolarHBondContact O-CG 3.46Å; A37-K40 PolarHBondContact O-N 2.8Å; K40-R42 VanDerWaalsContact C-N 3.3Å; K40-R42 PolarHBondContact O-N 2.95Å; K40-Y43 WeakPolarHBondContact O-CB 3.09Å; K40-Y43 PolarHBondContact O-N 2.94Å; K40-D44 WeakPolarHBondContact CD-OD2 3.19Å; K40-D44 VanDerWaalsContact CE-OD1 3.28Å; K40-D44 WeakPolarHBondContact CE-OD1 3.18Å; K40-D44 WeakPolarHBondContact CE-OD2 3.39Å; K40-D44 IonicContact NZ-OD1 2.65Å; K40-D44 PolarHBondContact NZ-OD1 2.79Å; K40-D44 IonicContact NZ-OD2 3.34Å; K40-D44 PolarHBondContact NZ-OD2 3.05Å; K40-D44 VanDerWaalsContact O-CG 3.3Å; K40-D44 PolarHBondContact O-N 2.92Å
41R97.4Very high96.4Very high145 Ų145108.6 Ų108.655%0.54757%0.565SS.*Hα-helixtrans-54.5-44.5172.6-68.4-170-73.3130.8-6.1112.7Y36 A37 R45Y36-R41 PolarHBondContact O-NE 2.85Å; A37-R41 PolarHBondContact O-N 2.83Å; R41-R45 WeakPolarHBondContact O-CB 3.46Å; R41-R45 PolarHBondContact O-N 2.78Å; R41-R45 VanDerWaalsContact O-N 3.13Å
42R97.7Very high96.3Very high123 Ų123108.6 Ų108.646%0.46457%0.565SS.*Hα-helixtrans-65.8-42.3176.2-172.2-170.7-61.2117.9-2.6112Q38 K40 K46Q38-R42 WeakPolarHBondContact O-CB 3.43Å; Q38-R42 PolarHBondContact O-N 2.89Å; K40-R42 VanDerWaalsContact C-N 3.3Å; K40-R42 PolarHBondContact O-N 2.95Å; R42-K46 WeakPolarHBondContact O-CB 3.36Å; R42-K46 PolarHBondContact O-N 3Å
43Y96.9Very high96.2Very high71 Ų71103.2 Ų103.228%0.27854%0.543SS..Hα-helixtrans-62.2-47178.8180-104.1000111.3G39 K40 R45 K46 Q47 Q53 K55G39-Y43 WeakPolarHBondContact O-CB 3.43Å; G39-Y43 PolarHBondContact O-N 3.27Å; K40-Y43 WeakPolarHBondContact O-CB 3.09Å; K40-Y43 PolarHBondContact O-N 2.94Å; Y43-R45 PolarHBondContact O-N 3.49Å; Y43-K46 CarbonylContact O-C 3.42Å; Y43-K46 WeakPolarHBondContact O-CA 3.44Å; Y43-K46 PolarHBondContact O-N 3.45Å; Y43-Q47 HydrophobicContact CD1-CG 4.09Å; Y43-Q47 HydrophobicContact CD2-CG 4.17Å; Y43-Q47 HydrophobicContact CE1-CG 3.7Å; Y43-Q47 HydrophobicContact CE2-CG 3.77Å; Y43-Q47 HydrophobicContact CG-CG 4.32Å; Y43-Q47 WeakPolarHBondContact O-CB 3.05Å; Y43-Q47 VanDerWaalsContact O-CG 3.23Å; Y43-Q47 WeakPolarHBondContact O-CG 3.37Å; Y43-Q47 PolarHBondContact O-N 2.98Å; Y43-Q47 PolarHBondContact OH-OE1 3.43Å; Y43-Q53 PolarHBondContact OH-NE2 3.49Å; Y43-Q53 PolarHBondContact OH-OE1 3.06Å; Y43-K55 HydrophobicContact CD2-CB 4.35Å; Y43-K55 HydrophobicContact CD2-CG 3.66Å; Y43-K55 HydrophobicContact CE2-CB 3.75Å; Y43-K55 HydrophobicContact CE2-CG 3.54Å
44D96.3Very high96.1Very high65 Ų6599.6 Ų99.635%0.34853%0.527SS..Hα-helixtrans-64-43.3-179-64.3-20.2000111.3K40 K46 Q47 S48K40-D44 WeakPolarHBondContact CD-OD2 3.19Å; K40-D44 VanDerWaalsContact CE-OD1 3.28Å; K40-D44 WeakPolarHBondContact CE-OD1 3.18Å; K40-D44 WeakPolarHBondContact CE-OD2 3.39Å; K40-D44 IonicContact NZ-OD1 2.65Å; K40-D44 PolarHBondContact NZ-OD1 2.79Å; K40-D44 IonicContact NZ-OD2 3.34Å; K40-D44 PolarHBondContact NZ-OD2 3.05Å; K40-D44 VanDerWaalsContact O-CG 3.3Å; K40-D44 PolarHBondContact O-N 2.92Å; D44-K46 VanDerWaalsContact C-N 3.28Å; D44-K46 PolarHBondContact O-N 2.79Å; D44-Q47 CarbonylContact O-C 3.6Å; D44-Q47 PolarHBondContact O-N 2.9Å; D44-S48 PolarHBondContact O-N 3.3Å
45R96.1Very high96.1Very high188 Ų188101.1 Ų101.171%0.70952%0.524SS*.Hα-helixtrans-62.9-31.9171.9-171.1179.168.6-161.36.1113.4R41 Y43 S48R41-R45 WeakPolarHBondContact O-CB 3.46Å; R41-R45 PolarHBondContact O-N 2.78Å; R41-R45 VanDerWaalsContact O-N 3.13Å; Y43-R45 PolarHBondContact O-N 3.49Å; R45-S48 PolarHBondContact O-OG 2.94Å
46K96.6Very high96.1Very high116 Ų116102.2 Ų102.250%0.50454%0.538SS..THydrogen-bonded Turntrans-82.8-3.7175.4-154.1-159.1170-165.50112.5R42 Y43 D44 S54R42-K46 WeakPolarHBondContact O-CB 3.36Å; R42-K46 PolarHBondContact O-N 3Å; Y43-K46 CarbonylContact O-C 3.42Å; Y43-K46 WeakPolarHBondContact O-CA 3.44Å; Y43-K46 PolarHBondContact O-N 3.45Å; D44-K46 VanDerWaalsContact C-N 3.28Å; D44-K46 PolarHBondContact O-N 2.79Å; K46-S54 WeakPolarHBondContact CD-OG 3.34Å; K46-S54 PolarHBondContact NZ-O 2.81Å; K46-S54 VanDerWaalsContact NZ-O 3.09Å; K46-S54 WeakPolarHBondContact O-CB 3.42Å; K46-S54 PolarHBondContact O-OG 2.82Å
47Q95.9Very high96.1Very high55 Ų5598.4 Ų98.426%0.25753%0.529SS..THydrogen-bonded Turntrans-110.1-15.5179.9-76.8-74.3-92.500112.5Y43 D44 G52 S54Y43-Q47 HydrophobicContact CD1-CG 4.09Å; Y43-Q47 HydrophobicContact CD2-CG 4.17Å; Y43-Q47 HydrophobicContact CE1-CG 3.7Å; Y43-Q47 HydrophobicContact CE2-CG 3.77Å; Y43-Q47 HydrophobicContact CG-CG 4.32Å; Y43-Q47 WeakPolarHBondContact O-CB 3.05Å; Y43-Q47 VanDerWaalsContact O-CG 3.23Å; Y43-Q47 WeakPolarHBondContact O-CG 3.37Å; Y43-Q47 PolarHBondContact O-N 2.98Å; Y43-Q47 PolarHBondContact OH-OE1 3.43Å; D44-Q47 CarbonylContact O-C 3.6Å; D44-Q47 PolarHBondContact O-N 2.9Å; Q47-G52 PolarHBondContact NE2-O 3.08Å; Q47-S54 PolarHBondContact NE2-OG 3.26Å
48S95.1Very high96.1Very high87 Ų87102.3 Ų102.361%0.60854%0.542SS*.SBendtrans-67.8146171.555.30000112.1D44 R45D44-S48 PolarHBondContact O-N 3.3Å; R45-S48 PolarHBondContact O-OG 2.94Å
49G95.6Very high96Very high69 Ų69106.8 Ų106.871%0.71155%0.553SS**SBendtrans89.7-158.5179.800000113.1
50Y93.3Very high96Very high245 Ų245115.9 Ų115.996%0.96157%0.574SS**SBendtrans-93.3164-180-56.6-78.8000111.7
51G93.7Very high95.9Very high81 Ų81120.5 Ų120.584%0.83559%0.594SS**SBendtrans109.1-2-179.900000115.2
52G94.3Very high95.8Very high55 Ų55118 Ų11857%0.56760%0.604SS**  trans69-144.3168.800000114.9Q47 S54Q47-G52 PolarHBondContact NE2-O 3.08Å; G52-S54 PolarHBondContact O-N 2.86Å
53Q95.8Very high95.8Very high93 Ų93119.7 Ų119.744%0.43562%0.615SS.*  trans-72.2114.2-173.5177.261.13.900112.1Y43 K55 I57Y43-Q53 PolarHBondContact OH-NE2 3.49Å; Y43-Q53 PolarHBondContact OH-OE1 3.06Å; Q53-K55 WeakPolarHBondContact CG-O 3.33Å; Q53-K55 PolarHBondContact NE2-O 3.09Å; Q53-I57 HydrophobicContact CG-CD1 3.94Å; Q53-I57 HydrophobicContact CG-CG1 4.22Å
54S94.6Very high95.8Very high35 Ų35122.5 Ų122.525%0.24564%0.64CS.*  trans-100.90.6-170.279.90000115.3K46 Q47 G52K46-S54 WeakPolarHBondContact CD-OG 3.34Å; K46-S54 PolarHBondContact NZ-O 2.81Å; K46-S54 VanDerWaalsContact NZ-O 3.09Å; K46-S54 WeakPolarHBondContact O-CB 3.42Å; K46-S54 PolarHBondContact O-OG 2.82Å; Q47-S54 PolarHBondContact NE2-OG 3.26Å; G52-S54 PolarHBondContact O-N 2.86Å
55K95.8Very high95.8Very high107 Ų107120.9 Ų120.947%0.46563%0.632SS.*SBendtrans-133.5148.1174.5-67.3-66.8-175174.90111.5Y43 Q53Y43-K55 HydrophobicContact CD2-CB 4.35Å; Y43-K55 HydrophobicContact CD2-CG 3.66Å; Y43-K55 HydrophobicContact CE2-CB 3.75Å; Y43-K55 HydrophobicContact CE2-CG 3.54Å; Q53-K55 WeakPolarHBondContact CG-O 3.33Å; Q53-K55 PolarHBondContact NE2-O 3.09Å
56P96.6Very high95.7Very high127 Ų127120.4 Ų120.483%0.82564%0.635SS**  trans-65.2141.2-17926.6-34.7000112.1
57I96.2Very high95.7Very high108 Ų108120.2 Ų120.255%0.55463%0.634SS**  trans-106.1121.6174.1-58.2174.4000108.3Q53 R59Q53-I57 HydrophobicContact CG-CD1 3.94Å; Q53-I57 HydrophobicContact CG-CG1 4.22Å; I57-R59 PolarHBondContact O-N 3.26Å; I57-R59 VanDerWaalsContact O-N 3.14Å
58L96.8Very high95.7Very high132 Ų132118.7 Ų118.769%0.69163%0.628SS**  trans-69.9108.7176.1179.566.9000110.6K61L58-K61 HydrophobicContact CD2-CG 4.46Å
59R96.4Very high95.8Very high220 Ų220116.1 Ų116.183%0.8361%0.608SS**  trans-92.6-42178.4-64.3-174.5176.7-155.7-0.5113.7I57 K61I57-R59 PolarHBondContact O-N 3.26Å; I57-R59 VanDerWaalsContact O-N 3.14Å; R59-K61 PolarHBondContact O-N 2.93Å
60R96.2Very high95.9Very high235 Ų235112.9 Ų112.989%0.88758%0.575SS**  trans-92.1102.9-174.1-61-177.9-171.3174.22.8111.3
61K96.5Very high96.1Very high174 Ų174105.5 Ų105.576%0.75755%0.545SS*.  trans-103.9111178.6-65.3174.8-174.6166.40110.5L58 R59L58-K61 HydrophobicContact CD2-CG 4.46Å; R59-K61 PolarHBondContact O-N 2.93Å
62A96.3Very high96.3Very high92 Ų92101.7 Ų101.776%0.7651%0.506SS*.  trans-88.9-24.3-178.700000114.8
63K96.4Very high96.4Very high158 Ų158101.6 Ų101.669%0.68749%0.491SS*.  trans-86.1121.6-172.3-59.1-56.6-178.4-164.70111
64T96.5Very high96.5Very high130 Ų13097.1 Ų97.180%0.79847%0.47SS*.SBendtrans-84.8-13.9177.1550000114
65T96.6Very high96.5Very high31 Ų3198.1 Ų98.119%0.1948%0.477CS..  trans-128.1170.1-17959.80000111.4R87 K89T65-R87 PolarHBondContact O-NH1 3.47Å; T65-K89 HydrophobicContact CG2-CG 3.8Å
66K94.5Very high96.5Very high178 Ų17898.7 Ų98.777%0.77448%0.481SS*.  trans-120.9157.6172-65.2176.6-176.3170.70109.7I68K66-I68 PolarHBondContact O-N 3.13Å
67K96.8Very high96.4Very high112 Ų11294 Ų9449%0.48745%0.451SS..EExtended strand (participates in β ladder)trans-76.1120.9166.4-71.4-176.7-179.1179.40107.2R87K67-R87 HydrophobicContact CG-CG 3.84Å
68I96.4Very high96.4Very high23 Ų2394.6 Ų94.612%0.11845%0.45CS..EExtended strand (participates in β ladder)trans-78.1136.9177.7-58.7-178.8000108Q27 K66 L70 I85 C88 F91Q27-I68 HydrophobicContact CG-CG2 4.21Å; K66-I68 PolarHBondContact O-N 3.13Å; I68-L70 HydrophobicContact CG2-CD2 4.41Å; I68-I85 HydrophobicContact CB-CD1 3.83Å; I68-I85 HydrophobicContact CB-CG1 3.7Å; I68-I85 HydrophobicContact CG2-CD1 4.24Å; I68-I85 HydrophobicContact CG2-CG1 4.35Å; I68-I85 WeakPolarHBondContact O-CG1 3.35Å; I68-I85 PolarHBondContact O-N 3.49Å; I68-C88 VanDerWaalsContact CD1-SG 3.53Å; I68-F91 HydrophobicContact CD1-CB 3.19Å; I68-F91 HydrophobicContact CD1-CD1 3.5Å; I68-F91 VanDerWaalsContact CD1-CD1 3.5Å; I68-F91 HydrophobicContact CD1-CD2 3.8Å; I68-F91 HydrophobicContact CD1-CE1 4.25Å; I68-F91 HydrophobicContact CD1-CG 3.2Å; I68-F91 HydrophobicContact CG2-CD1 4.06Å; I68-F91 HydrophobicContact CG2-CE1 3.75Å; I68-F91 HydrophobicContact CG2-CE2 4.39Å; I68-F91 HydrophobicContact CG2-CG 4.45Å; I68-F91 HydrophobicContact CG2-CZ 3.95Å
69V97.4Very high96.4Very high33 Ų3390.9 Ų90.920%0.243%0.434CS..EExtended strand (participates in β ladder)trans-113.7128175.2179.50000107.3Y28 Q82 L83 R84Y28-V69 WeakPolarHBondContact CB-O 3.39Å; Y28-V69 HydrophobicContact CD1-CB 4.3Å; Y28-V69 HydrophobicContact CG-CB 4.29Å; Y28-V69 HydrophobicContact CG-CG1 4.42Å; Y28-V69 PolarHBondContact N-O 3.34Å; V69-Q82 HydrophobicContact CG1-CB 3.87Å; V69-Q82 HydrophobicContact CG1-CG 4.18Å; V69-L83 CarbonylContact C-O 3.59Å; V69-L83 WeakPolarHBondContact CA-O 3.47Å; V69-R84 HydrophobicContact CG2-CB 4.4Å
70L97.1Very high96.4Very high2 Ų285.1 Ų85.11%0.0142%0.415CS..EExtended strand (participates in β ladder)trans-90.9135173-52.4176.7000108.6I4 V25 T26 I68 Q82 L83 I85 F91I4-L70 HydrophobicContact CD1-CD1 3.69Å; I4-L70 HydrophobicContact CD1-CD2 4.18Å; I4-L70 HydrophobicContact CD1-CG 4.44Å; I4-L70 HydrophobicContact CG2-CD1 4.08Å; V25-L70 HydrophobicContact CG1-CB 4.09Å; V25-L70 HydrophobicContact CG1-CD1 4.06Å; V25-L70 HydrophobicContact CG1-CD2 4.09Å; V25-L70 HydrophobicContact CG1-CG 4.31Å; T26-L70 CarbonylContact O-C 3.56Å; T26-L70 WeakPolarHBondContact O-CA 3.05Å; I68-L70 HydrophobicContact CG2-CD2 4.41Å; L70-Q82 CarbonylContact O-C 3.59Å; L70-Q82 WeakPolarHBondContact O-CA 3.46Å; L70-L83 HydrophobicContact CB-CB 4.37Å; L70-L83 HydrophobicContact CD1-CD2 4.13Å; L70-L83 PolarHBondContact N-O 2.95Å; L70-L83 PolarHBondContact O-N 2.89Å; L70-I85 HydrophobicContact CD1-CG2 4.13Å; L70-I85 HydrophobicContact CG-CG2 4.39Å; L70-F91 HydrophobicContact CD2-CE2 4.33Å; L70-F91 HydrophobicContact CD2-CZ 3.63Å
71R97.1Very high96.3Very high89 Ų8977.2 Ų77.234%0.33639%0.387SS..EExtended strand (participates in β ladder)trans-99.7110.5168.3177178.9177.6109.1-18.9107.5T26T26-R71 PolarHBondContact N-O 3.37Å; T26-R71 PolarHBondContact O-N 2.65Å; T26-R71 WeakPolarHBondContact OG1-CB 3.47Å; T26-R71 PolarHBondContact OG1-O 2.83Å; T26-R71 VanDerWaalsContact OG1-O 3.06Å
72L97.2Very high96.3Very high2 Ų274.7 Ų74.71%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-96.2113179.5-58.6173.1000108T10 H23 K24 V25 K80 K81 L83T10-L72 HydrophobicContact CG2-CD1 4.24Å; H23-L72 HydrophobicContact CB-CB 4.11Å; K24-L72 WeakPolarHBondContact O-CA 3.34Å; V25-L72 HydrophobicContact CB-CD2 4.18Å; V25-L72 HydrophobicContact CG1-CD2 3.97Å; V25-L72 HydrophobicContact CG2-CD2 3.65Å; L72-K80 CarbonylContact O-C 3.59Å; L72-K80 VanDerWaalsContact O-CA 3.3Å; L72-K80 WeakPolarHBondContact O-CA 3.4Å; L72-K81 HydrophobicContact CB-CB 4.39Å; L72-K81 PolarHBondContact N-O 2.97Å; L72-K81 PolarHBondContact O-N 3.35Å; L72-L83 HydrophobicContact CD1-CB 4.06Å
73E97.5Very high96.3Very high52 Ų5272.7 Ų72.724%0.24335%0.354CS..EExtended strand (participates in β ladder)trans-105.4119.8177.6-177.4171.9137.500110H23 K24 S75 K80H23-E73 CarbonylContact C-O 3.55Å; H23-E73 WeakPolarHBondContact CA-O 3.28Å; K24-E73 PolarHBondContact N-O 2.82Å; K24-E73 PolarHBondContact O-N 2.81Å; E73-S75 PolarHBondContact O-N 3.06Å; E73-K80 HydrophobicContact CB-CG 4.39Å; E73-K80 HydrophobicContact CG-CG 4.19Å; E73-K80 WeakPolarHBondContact OE2-CE 3.36Å; E73-K80 IonicContact OE2-NZ 3.36Å; E73-K80 PolarHBondContact OE2-NZ 3.02Å
74C97.5Very high96.3Very high0 Ų074.4 Ų74.40%036%0.356CS..EExtended strand (participates in β ladder)trans-64.8130.7178.1178.60000110.5T21 H23 Q76 K78 C79T21-C74 PolarHBondContact OG1-SG 3.05Å; H23-C74 PolarHBondContact CD2-N 2.98Å; C74-Q76 VanDerWaalsContact C-N 3.3Å; C74-Q76 PolarHBondContact O-N 2.97Å; C74-K78 WeakPolarHBondContact O-CA 3.47Å; C74-K78 PolarHBondContact O-N 3.2Å; C74-C79 PolarHBondContact N-O 3.01Å
75S95.5Very high96.3Very high56 Ų5669.8 Ų69.839%0.39233%0.327SS..THydrogen-bonded Turntrans-63.8-35.4179.359.20000112.9L22 E73 K78L22-S75 WeakPolarHBondContact O-CB 3.45Å; L22-S75 PolarHBondContact O-N 2.89Å; L22-S75 PolarHBondContact O-OG 2.94Å; L22-S75 VanDerWaalsContact O-OG 3.08Å; E73-S75 PolarHBondContact O-N 3.06Å; S75-K78 PolarHBondContact O-NZ 2.9Å
76Q94.8Very high96.3Very high118 Ų11877.6 Ų77.655%0.55136%0.358SS*.THydrogen-bonded Turntrans-80.4-63.1-176.4-64.9-174.3-21.600112.8T21 C74T21-Q76 HydrophobicContact CG2-CG 4.5Å; T21-Q76 VanDerWaalsContact CG2-OE1 3.29Å; C74-Q76 VanDerWaalsContact C-N 3.3Å; C74-Q76 PolarHBondContact O-N 2.97Å
77C95.7Very high96.4Very high30 Ų3074.5 Ų74.520%0.20334%0.341CS..THydrogen-bonded Turntrans-96.3-1.2-174.367.60000115C12 S14 K16 C17 C79C12-C77 PolarHBondContact SG-SG 3.44Å; S14-C77 WeakPolarHBondContact CB-SG 3.37Å; K16-C77 HydrophobicContact CB-CB 4.23Å; K16-C77 HydrophobicContact CD-CB 4.5Å; C17-C77 VanDerWaalsContact SG-CB 3.57Å; C77-C79 PolarHBondContact O-N 2.96Å; C77-C79 WeakPolarHBondContact SG-CB 3.35Å
78K95.8Very high96.3Very high120 Ų12070.3 Ų70.352%0.52233%0.326SS..  trans58.39-176.1-50.8-55.5-173.9-163.20115.7C74 S75 K80C74-K78 WeakPolarHBondContact O-CA 3.47Å; C74-K78 PolarHBondContact O-N 3.2Å; S75-K78 PolarHBondContact O-NZ 2.9Å; K78-K80 WeakPolarHBondContact O-CG 3.34Å
79C96Very high96.3Very high53 Ų5377.4 Ų77.436%0.35836%0.356SS..  trans-61.8143173-1750000110.4C74 C77C74-C79 PolarHBondContact N-O 3.01Å; C77-C79 PolarHBondContact O-N 2.96Å; C77-C79 WeakPolarHBondContact SG-CB 3.35Å
80K95.8Very high96.2Very high100 Ų10082.1 Ų82.144%0.43538%0.375SS..EExtended strand (participates in β ladder)trans-117.7128.9-172-51.9-174.1-170-174.70109.8L72 E73 K78L72-K80 CarbonylContact O-C 3.59Å; L72-K80 VanDerWaalsContact O-CA 3.3Å; L72-K80 WeakPolarHBondContact O-CA 3.4Å; E73-K80 HydrophobicContact CB-CG 4.39Å; E73-K80 HydrophobicContact CG-CG 4.19Å; E73-K80 WeakPolarHBondContact OE2-CE 3.36Å; E73-K80 IonicContact OE2-NZ 3.36Å; E73-K80 PolarHBondContact OE2-NZ 3.02Å; K78-K80 WeakPolarHBondContact O-CG 3.34Å
81K95.4Very high96.1Very high69 Ų6984 Ų8430%0.338%0.384SS..EExtended strand (participates in β ladder)trans-120.3143.5177.7176.6-178.4175-174.20109.9L72L72-K81 HydrophobicContact CB-CB 4.39Å; L72-K81 PolarHBondContact N-O 2.97Å; L72-K81 PolarHBondContact O-N 3.35Å
82Q96.4Very high95.9Very high121 Ų12182.6 Ų82.657%0.56538%0.381SS*.EExtended strand (participates in β ladder)trans-97.7136.4172.8-66.9-175.6-000110.9V69 L70V69-Q82 HydrophobicContact CG1-CB 3.87Å; V69-Q82 HydrophobicContact CG1-CG 4.18Å; L70-Q82 CarbonylContact O-C 3.59Å; L70-Q82 WeakPolarHBondContact O-CA 3.46Å
83L96.1Very high95.7Very high50 Ų5084.6 Ų84.626%0.26239%0.391SS..EExtended strand (participates in β ladder)trans-129.2117.6173-169.791.7000109.6V69 L70 L72V69-L83 CarbonylContact C-O 3.59Å; V69-L83 WeakPolarHBondContact CA-O 3.47Å; L70-L83 HydrophobicContact CB-CB 4.37Å; L70-L83 HydrophobicContact CD1-CD2 4.13Å; L70-L83 PolarHBondContact N-O 2.95Å; L70-L83 PolarHBondContact O-N 2.89Å; L72-L83 HydrophobicContact CD1-CB 4.06Å
84R97.2Very high95.5Very high193 Ų19383.8 Ų83.873%0.72840%0.397SS*.EExtended strand (participates in β ladder)trans-81.8136.6174.164-175.5-175.7153.64.2110.8V69V69-R84 HydrophobicContact CG2-CB 4.4Å
85I95.8Very high95.1Very high34 Ų3485 Ų8517%0.17441%0.409CS..EExtended strand (participates in β ladder)trans-106.8170.8169.764.6165.4000111.4I4 I68 L70 F91I4-I85 HydrophobicContact CD1-CD1 4.07Å; I4-I85 HydrophobicContact CD1-CG2 4.14Å; I68-I85 HydrophobicContact CB-CD1 3.83Å; I68-I85 HydrophobicContact CB-CG1 3.7Å; I68-I85 HydrophobicContact CG2-CD1 4.24Å; I68-I85 HydrophobicContact CG2-CG1 4.35Å; I68-I85 WeakPolarHBondContact O-CG1 3.35Å; I68-I85 PolarHBondContact O-N 3.49Å; L70-I85 HydrophobicContact CD1-CG2 4.13Å; L70-I85 HydrophobicContact CG-CG2 4.39Å; I85-F91 HydrophobicContact CD1-CD2 4.07Å; I85-F91 HydrophobicContact CD1-CE2 3.95Å
86K96.4Very high94.9Very high194 Ų19489.6 Ų89.684%0.84343%0.429SS*.EExtended strand (participates in β ladder)trans-64.2161172.6-66.2-175.5-179.9-179.50110.6
87R96.9Very high94.6Very high114 Ų11493.1 Ų93.143%0.4344%0.443SS..EExtended strand (participates in β ladder)trans-66.4136.4178.2-69.2175.4176.5-82.81.5109.8T65 K67T65-R87 PolarHBondContact O-NH1 3.47Å; K67-R87 HydrophobicContact CG-CG 3.84Å
88C95.5Very high94.3Very high23 Ų23101.4 Ų101.416%0.15548%0.475CS..  trans-143.5153.8175.147.70000109.6V2 I68V2-C88 HydrophobicContact CB-CB 4.45Å; V2-C88 HydrophobicContact CG2-CB 3.66Å; I68-C88 VanDerWaalsContact CD1-SG 3.53Å
89K95.7Very high94.1Very high173 Ų173103 Ų10375%0.75248%0.483SS*.SBendtrans-82.9-48176.2-70.1-175.1177.6-177.80111.7T65T65-K89 HydrophobicContact CG2-CG 3.8Å
90H94.7Very high93.8Very high132 Ų132110.4 Ų110.461%0.61151%0.509SS*.SBendtrans-115.2126-179.8-57.5-77.8000110.3V2V2-H90 PolarHBondContact N-O 3.19Å
91F94.9Very high93.3Very high42 Ų42109.9 Ų109.918%0.18453%0.531CS..EExtended strand (participates in β ladder)trans-137.9134.1-176.6173.1-106.3000110.4V2 I4 Q27 I68 L70 I85 L93V2-F91 HydrophobicContact CB-CD2 4.34Å; V2-F91 HydrophobicContact CG1-CD2 4.29Å; V2-F91 WeakPolarHBondContact O-CA 3.4Å; I4-F91 HydrophobicContact CB-CE2 4.16Å; I4-F91 HydrophobicContact CD1-CE2 3.64Å; I4-F91 HydrophobicContact CD1-CZ 4.31Å; I4-F91 HydrophobicContact CG1-CE2 3.8Å; Q27-F91 HydrophobicContact CB-CE1 4.48Å; Q27-F91 HydrophobicContact CG-CE1 4.25Å; I68-F91 HydrophobicContact CD1-CB 3.19Å; I68-F91 HydrophobicContact CD1-CD1 3.5Å; I68-F91 VanDerWaalsContact CD1-CD1 3.5Å; I68-F91 HydrophobicContact CD1-CD2 3.8Å; I68-F91 HydrophobicContact CD1-CE1 4.25Å; I68-F91 HydrophobicContact CD1-CG 3.2Å; I68-F91 HydrophobicContact CG2-CD1 4.06Å; I68-F91 HydrophobicContact CG2-CE1 3.75Å; I68-F91 HydrophobicContact CG2-CE2 4.39Å; I68-F91 HydrophobicContact CG2-CG 4.45Å; I68-F91 HydrophobicContact CG2-CZ 3.95Å; L70-F91 HydrophobicContact CD2-CE2 4.33Å; L70-F91 HydrophobicContact CD2-CZ 3.63Å; I85-F91 HydrophobicContact CD1-CD2 4.07Å; I85-F91 HydrophobicContact CD1-CE2 3.95Å; F91-L93 HydrophobicContact CD1-CD1 4.29Å; F91-L93 HydrophobicContact CE1-CD1 3.16Å; F91-L93 HydrophobicContact CE1-CG 4.48Å; F91-L93 HydrophobicContact CE2-CD1 4.43Å; F91-L93 HydrophobicContact CZ-CD1 3.25Å; F91-L93 HydrophobicContact CZ-CG 4.26Å
92E94Very high92.9Very high58 Ų58112.5 Ų112.527%0.27155%0.545SS..EExtended strand (participates in β ladder)trans-136147.9179.163-173.1175.600110.8M1 V2 N3 I4M1-E92 WeakPolarHBondContact CE-OE1 3.23Å; M1-E92 HydrophobicContact CG-CG 4.38Å; V2-E92 PolarHBondContact O-N 3.22Å; N3-E92 HydrophobicContact CB-CG 3.82Å; N3-E92 WeakPolarHBondContact CB-OE1 3.49Å; I4-E92 PolarHBondContact N-O 3.22Å; I4-E92 VanDerWaalsContact N-O 3.09Å
93L92.9Very high92.2Very high44 Ų44114.5 Ų114.523%0.2356%0.556CS.*EExtended strand (participates in β ladder)trans-106.5117.7171-98.893.6000110.3I4 K6 V25 Q27 F91I4-L93 CarbonylContact O-C 3.56Å; I4-L93 WeakPolarHBondContact O-CA 3.35Å; K6-L93 WeakPolarHBondContact CE-O 3.27Å; K6-L93 HydrophobicContact CG-CB 4.36Å; V25-L93 HydrophobicContact CB-CD2 4.25Å; V25-L93 HydrophobicContact CG1-CD2 4.1Å; V25-L93 WeakPolarHBondContact O-CD2 3.43Å; Q27-L93 HydrophobicContact CB-CD1 4.28Å; F91-L93 HydrophobicContact CD1-CD1 4.29Å; F91-L93 HydrophobicContact CE1-CD1 3.16Å; F91-L93 HydrophobicContact CE1-CG 4.48Å; F91-L93 HydrophobicContact CE2-CD1 4.43Å; F91-L93 HydrophobicContact CZ-CD1 3.25Å; F91-L93 HydrophobicContact CZ-CG 4.26Å
94G91.7Very high91.7Very high36 Ų36117.5 Ų117.537%0.37158%0.576SS.*SBendtrans69.536.9175.300000113.3N3 I4N3-G94 PolarHBondContact OD1-N 3.09Å; I4-G94 PolarHBondContact O-N 2.67Å
95G90.7Very high91.2Very high24 Ų24114.5 Ų114.525%0.24758%0.579CS.*PPolyproline II helixtrans-69171.9165.200000111N3N3-G95 PolarHBondContact ND2-O 3.29Å; N3-G95 PolarHBondContact OD1-N 3.49Å
96D89.8Confident90.6Very high154 Ų154124.9 Ų124.982%0.82462%0.624SS**PPolyproline II helixtrans-66144.3-178.7-67-45.8000112.3N3N3-D96 PolarHBondContact ND2-O 3.49Å
97K90Very high90.3Very high191 Ų191121.4 Ų121.483%0.8361%0.613SS**PPolyproline II helixtrans-72.5137170.4-67.9-178-177.5175.20108.2K99K97-K99 PolarHBondContact O-N 2.95Å
98K89.3Confident90Very high204 Ų204121.8 Ų121.889%0.88762%0.622SS**PPolyproline II helixtrans-58.9125.4172.6-63.7-173176.1-170.20109.5
99K90.4Very high89.7Confident155 Ų155127.3 Ų127.367%0.67465%0.648SS**PPolyproline II helixtrans-78.8140.5175.4-64.6176.5179.9178.20109.3K97 Q102K97-K99 PolarHBondContact O-N 2.95Å; K99-Q102 HydrophobicContact CB-CG 4.19Å
100K90.3Very high89.3Confident208 Ų208124.6 Ų124.690%0.90464%0.642SS**SBendtrans-81.2132178.6-72.2-172.4176.4-175.80109.8Q102K100-Q102 VanDerWaalsContact C-N 3.27Å; K100-Q102 PolarHBondContact O-N 2.79Å
101G85.9Confident89Confident88 Ų88124.1 Ų124.191%0.90764%0.644SS**SBendtrans69.89.5167.700000116.9
102Q87.4Confident88.6Confident125 Ų125129.6 Ų129.658%0.58468%0.675SS**PPolyproline II helixtrans-80.5133175.1-75.3-162.8-27.500111K99 K100 V104K99-Q102 HydrophobicContact CB-CG 4.19Å; K100-Q102 VanDerWaalsContact C-N 3.27Å; K100-Q102 PolarHBondContact O-N 2.79Å; Q102-V104 PolarHBondContact O-N 3.14Å
103M81.8Confident88.2Confident162 Ų162134.7 Ų134.780%0.79870%0.703SS**PPolyproline II helixtrans-62.3130168.4-167167.284.500108.7F106M103-F106 HydrophobicContact CG-CE2 4.46Å
104V85.3Confident87.8Confident113 Ų113141.7 Ų141.769%0.68574%0.74SS**PPolyproline II helixtrans-73.1132.9173.6-170.20000107Q102 F106Q102-V104 PolarHBondContact O-N 3.14Å; V104-F106 PolarHBondContact O-N 3.46Å
105T86.5Confident87.5Confident131 Ų131150.5 Ų150.580%0.80477%0.77SS**PPolyproline II helixtrans-67131.1175.250.60000109.3
106F82.9Confident87.2Confident251 Ų251162 Ų162100%1.10182%0.818SS**  trans-88.90174.6-61.1-78.4000110.8M103 V104M103-F106 HydrophobicContact CG-CE2 4.46Å; V104-F106 PolarHBondContact O-N 3.46Å

Retrieved 106 of 106 residues in 33 ms (Link to these results)

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