HD6N_ORYSJ Loading...

Inactive casein kinase II subunit alpha-2

The Nipponbare allele of HD6 contains a premature stop codon, resulting in a truncated non-functional product.

AlphaFold DB , UniProt , Accession Q9AQU1, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene HD6, Length 90 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
1M80.3Confident95.7Very high246 Ų246124.7 Ų124.7100%1.21264%0.643SS**  0126.40-144-176.4-88.200107.2
2S93.3Very high95.8Very high128 Ų128123.8 Ų123.890%0.89565%0.647SS**  trans-81.4136-178.8-175.70000110.3
3K95.8Very high95.9Very high132 Ų132125.6 Ų125.657%0.57466%0.657SS**  trans-126.5146.4176.4-172.5171.2178.6179.60108.7R5 A8 D9K3-R5 PolarHBondContact O-N 3.19Å; K3-A8 HydrophobicContact CD-CB 4.13Å; K3-A8 HydrophobicContact CG-CB 3.82Å; K3-D9 VanDerWaalsContact CE-OD1 3.3Å; K3-D9 WeakPolarHBondContact CE-OD1 3.45Å; K3-D9 IonicContact NZ-OD1 2.73Å; K3-D9 PolarHBondContact NZ-OD1 3.2Å; K3-D9 IonicContact NZ-OD2 2.86Å; K3-D9 PolarHBondContact NZ-OD2 3.02Å
4A97.6Very high96.1Very high65 Ų65127.4 Ų127.454%0.53765%0.65SS.*  trans-58.8138.6176.500000110.4V6 A8A4-V6 VanDerWaalsContact C-N 3.27Å; A4-V6 WeakPolarHBondContact CB-O 3.46Å; A4-V6 PolarHBondContact O-N 2.89Å; A4-A8 HydrophobicContact CB-CB 4.16Å; A4-A8 WeakPolarHBondContact O-CB 3.39Å
5R98Very high96.2Very high250 Ų250124.5 Ų124.594%0.94364%0.643SS**SBendtrans-70.5-25179.1-67.7-175.2-68.4139.3-1.4113K3K3-R5 PolarHBondContact O-N 3.19Å
6V98.5Very high96.3Very high101 Ų101124.3 Ų124.361%0.61264%0.636SS**SBendtrans-135.4152.8179.8-64.90000109.5A4 A8A4-V6 VanDerWaalsContact C-N 3.27Å; A4-V6 WeakPolarHBondContact CB-O 3.46Å; A4-V6 PolarHBondContact O-N 2.89Å; V6-A8 PolarHBondContact O-N 3.05Å; V6-A8 VanDerWaalsContact O-N 3.09Å
7Y97.8Very high96.4Very high190 Ų190124.7 Ų124.775%0.74564%0.635SS**SBendtrans55.923178.3-49.7-58.3000115.6D9 V10Y7-D9 VanDerWaalsContact C-N 3.28Å; Y7-D9 PolarHBondContact O-N 3.27Å; Y7-V10 HydrophobicContact CD1-CG1 3.98Å; Y7-V10 HydrophobicContact CG-CG1 4.35Å; Y7-V10 VanDerWaalsContact O-CG2 3.31Å; Y7-V10 WeakPolarHBondContact O-CG2 3.4Å; Y7-V10 PolarHBondContact O-N 3.48Å
8A97.7Very high96.5Very high41 Ų41121.8 Ų121.834%0.33962%0.615SS.*THydrogen-bonded Turntrans-66.3-29.7-168.800000114.2K3 A4 V6K3-A8 HydrophobicContact CD-CB 4.13Å; K3-A8 HydrophobicContact CG-CB 3.82Å; A4-A8 HydrophobicContact CB-CB 4.16Å; A4-A8 WeakPolarHBondContact O-CB 3.39Å; V6-A8 PolarHBondContact O-N 3.05Å; V6-A8 VanDerWaalsContact O-N 3.09Å
9D97.5Very high96.5Very high74 Ų74121.6 Ų121.640%0.39661%0.606SS.*THydrogen-bonded Turntrans-112.57.3-174.3-58.6-49.8000112.8K3 Y7 N11 V12 L13K3-D9 VanDerWaalsContact CE-OD1 3.3Å; K3-D9 WeakPolarHBondContact CE-OD1 3.45Å; K3-D9 IonicContact NZ-OD1 2.73Å; K3-D9 PolarHBondContact NZ-OD1 3.2Å; K3-D9 IonicContact NZ-OD2 2.86Å; K3-D9 PolarHBondContact NZ-OD2 3.02Å; Y7-D9 VanDerWaalsContact C-N 3.28Å; Y7-D9 PolarHBondContact O-N 3.27Å; D9-N11 VanDerWaalsContact C-N 3.28Å; D9-N11 PolarHBondContact O-N 2.92Å; D9-V12 WeakPolarHBondContact O-CA 3.47Å; D9-V12 WeakPolarHBondContact O-CB 3.41Å; D9-V12 PolarHBondContact O-N 2.95Å; D9-L13 WeakPolarHBondContact O-CG 2.95Å; D9-L13 PolarHBondContact O-N 2.95Å
10V98.2Very high96.6Very high65 Ų65117.2 Ų117.239%0.39459%0.585SS.*THydrogen-bonded Turntrans-58.8-36.9-172.1-64.30000113.3Y7 R14Y7-V10 HydrophobicContact CD1-CG1 3.98Å; Y7-V10 HydrophobicContact CG-CG1 4.35Å; Y7-V10 VanDerWaalsContact O-CG2 3.31Å; Y7-V10 WeakPolarHBondContact O-CG2 3.4Å; Y7-V10 PolarHBondContact O-N 3.48Å; V10-R14 WeakPolarHBondContact O-CG 3.47Å; V10-R14 PolarHBondContact O-N 3.24Å
11N97.8Very high96.7Very high80 Ų80114.1 Ų114.143%0.42857%0.567SS.*THydrogen-bonded Turntrans-74.2-30.9177.5-69-19.4000112D9 L13 R14 Y18 W19D9-N11 VanDerWaalsContact C-N 3.28Å; D9-N11 PolarHBondContact O-N 2.92Å; N11-L13 VanDerWaalsContact C-N 3.32Å; N11-R14 PolarHBondContact O-N 2.86Å; N11-Y18 WeakPolarHBondContact OD1-CE1 3.47Å; N11-W19 HydrophobicContact CB-CB 4.4Å; N11-W19 HydrophobicContact CB-CG 4.37Å; N11-W19 PolarHBondContact O-NE1 3.41Å
12V96.6Very high97.5Very high113 Ų113106.9 Ų106.969%0.68553%0.53SS*.THydrogen-bonded Turntrans-69.8-34.4177.3-178.50000110.6D9 R14D9-V12 WeakPolarHBondContact O-CA 3.47Å; D9-V12 WeakPolarHBondContact O-CB 3.41Å; D9-V12 PolarHBondContact O-N 2.95Å; V12-R14 VanDerWaalsContact C-N 3.25Å; V12-R14 PolarHBondContact O-N 2.85Å
13L97.8Very high97.7Very high148 Ų148104 Ų10478%0.77551%0.514SS*.THydrogen-bonded Turntrans-78.2-7176.5-61.7175000113.5D9 N11D9-L13 WeakPolarHBondContact O-CG 2.95Å; D9-L13 PolarHBondContact O-N 2.95Å; N11-L13 VanDerWaalsContact C-N 3.32Å
14R97.9Very high97.8Very high150 Ų15098.8 Ų98.857%0.56649%0.492SS*.SBendtrans-99.4154.4177.8-70.8-74.1-1721793.3110.7V10 N11 V12 Y18V10-R14 WeakPolarHBondContact O-CG 3.47Å; V10-R14 PolarHBondContact O-N 3.24Å; N11-R14 PolarHBondContact O-N 2.86Å; V12-R14 VanDerWaalsContact C-N 3.25Å; V12-R14 PolarHBondContact O-N 2.85Å; R14-Y18 HydrophobicContact CB-CD1 3.83Å; R14-Y18 HydrophobicContact CB-CG 3.81Å; R14-Y18 HydrophobicContact CG-CD1 4.02Å; R14-Y18 HydrophobicContact CG-CD2 4.49Å; R14-Y18 HydrophobicContact CG-CE1 4.32Å; R14-Y18 HydrophobicContact CG-CG 4.12Å
15P98.2Very high97.8Very high84 Ų84101.7 Ų101.755%0.54550%0.503SS..  trans-53.5150.6172.6-24.434000111.8E17 Y18P15-E17 WeakPolarHBondContact CB-OE2 3.49Å; P15-E17 PolarHBondContact O-N 2.91Å; P15-E17 VanDerWaalsContact O-N 3.15Å; P15-Y18 WeakPolarHBondContact O-CB 3.27Å; P15-Y18 PolarHBondContact O-N 2.88Å
16K97.9Very high97.7Very high122 Ų12291 Ų9153%0.5347%0.466SS..Hα-helixtrans-55.7-37.1-176.5-176.3178.1176.2-171.40111.9Y18 W19 D20K16-Y18 PolarHBondContact O-N 2.82Å; K16-Y18 VanDerWaalsContact O-N 3.11Å; K16-W19 HydrophobicContact CG-CH2 4.16Å; K16-W19 HydrophobicContact CG-CZ2 3.9Å; K16-W19 PolarHBondContact O-N 2.63Å; K16-D20 WeakPolarHBondContact CE-OD2 3.4Å; K16-D20 HydrophobicContact CG-CB 3.99Å; K16-D20 IonicContact NZ-OD2 3.83Å; K16-D20 VanDerWaalsContact O-CB 3.24Å; K16-D20 WeakPolarHBondContact O-CB 3.34Å; K16-D20 PolarHBondContact O-N 3.05Å
17E97.4Very high97.6Very high131 Ų13195.4 Ų95.461%0.61248%0.48SS*.Hα-helixtrans-63.3-16.8179.7-54.270.1-147.900112.7P15 K78P15-E17 WeakPolarHBondContact CB-OE2 3.49Å; P15-E17 PolarHBondContact O-N 2.91Å; P15-E17 VanDerWaalsContact O-N 3.15Å; E17-K78 WeakPolarHBondContact O-CE 3.2Å; E17-K78 PolarHBondContact O-NZ 2.93Å
18Y98.3Very high97.5Very high72 Ų7295.1 Ų95.128%0.28248%0.477SS..Hα-helixtrans-69.4-43.9176.1-178.8-97.7000111.7N11 R14 P15 K16 K78 N82N11-Y18 WeakPolarHBondContact OD1-CE1 3.47Å; R14-Y18 HydrophobicContact CB-CD1 3.83Å; R14-Y18 HydrophobicContact CB-CG 3.81Å; R14-Y18 HydrophobicContact CG-CD1 4.02Å; R14-Y18 HydrophobicContact CG-CD2 4.49Å; R14-Y18 HydrophobicContact CG-CE1 4.32Å; R14-Y18 HydrophobicContact CG-CG 4.12Å; P15-Y18 WeakPolarHBondContact O-CB 3.27Å; P15-Y18 PolarHBondContact O-N 2.88Å; K16-Y18 PolarHBondContact O-N 2.82Å; K16-Y18 VanDerWaalsContact O-N 3.11Å; Y18-K78 WeakPolarHBondContact O-CE 3.42Å; Y18-N82 HydrophobicContact CE2-CB 3.88Å; Y18-N82 PolarHBondContact O-ND2 2.73Å
19W97.9Very high97.5Very high118 Ų11896.3 Ų96.345%0.44749%0.494SS..Hα-helixtrans-112.1-18.7-173.158.2-100000113.8N11 K16 Y21N11-W19 HydrophobicContact CB-CB 4.4Å; N11-W19 HydrophobicContact CB-CG 4.37Å; N11-W19 PolarHBondContact O-NE1 3.41Å; K16-W19 HydrophobicContact CG-CH2 4.16Å; K16-W19 HydrophobicContact CG-CZ2 3.9Å; K16-W19 PolarHBondContact O-N 2.63Å; W19-Y21 VanDerWaalsContact O-CD1 3.22Å; W19-Y21 WeakPolarHBondContact O-CD1 3.34Å; W19-Y21 PolarHBondContact O-N 3.34Å
20D98.1Very high97.4Very high33 Ų3399 Ų9918%0.17650%0.504CS..  trans-77.570.8175.8-170.30.5000111.2K16 E22 A23K16-D20 WeakPolarHBondContact CE-OD2 3.4Å; K16-D20 HydrophobicContact CG-CB 3.99Å; K16-D20 IonicContact NZ-OD2 3.83Å; K16-D20 VanDerWaalsContact O-CB 3.24Å; K16-D20 WeakPolarHBondContact O-CB 3.34Å; K16-D20 PolarHBondContact O-N 3.05Å; D20-E22 PolarHBondContact O-N 3.35Å; D20-E22 PolarHBondContact OD1-N 2.88Å; D20-A23 HydrophobicContact CB-CB 4.5Å; D20-A23 PolarHBondContact O-N 3.18Å; D20-A23 PolarHBondContact OD1-N 2.88Å
21Y98.1Very high97.4Very high54 Ų54103.4 Ų103.421%0.21252%0.52CS..THydrogen-bonded Turntrans-65.9-14.8178.459.1-98.3000113W19 L24 K71 K74 R75W19-Y21 VanDerWaalsContact O-CD1 3.22Å; W19-Y21 WeakPolarHBondContact O-CD1 3.34Å; W19-Y21 PolarHBondContact O-N 3.34Å; Y21-L24 WeakPolarHBondContact O-CB 3.5Å; Y21-L24 PolarHBondContact O-N 2.85Å; Y21-K71 HydrophobicContact CE2-CG 3.77Å; Y21-K71 WeakPolarHBondContact OH-CE 3.29Å; Y21-K74 VanDerWaalsContact O-CB 3.25Å; Y21-K74 WeakPolarHBondContact O-CB 3.24Å; Y21-K74 WeakPolarHBondContact O-CD 3.45Å; Y21-R75 HydrophobicContact CD1-CB 4.28Å; Y21-R75 HydrophobicContact CD1-CG 3.89Å; Y21-R75 HydrophobicContact CD2-CB 3.54Å; Y21-R75 HydrophobicContact CD2-CG 4.04Å; Y21-R75 HydrophobicContact CE1-CB 4.42Å; Y21-R75 HydrophobicContact CE1-CG 3.85Å; Y21-R75 HydrophobicContact CE2-CB 3.67Å; Y21-R75 HydrophobicContact CE2-CG 3.97Å; Y21-R75 HydrophobicContact CG-CB 3.88Å; Y21-R75 HydrophobicContact CG-CG 4Å
22E97.3Very high97.3Very high94 Ų94106.5 Ų106.544%0.43954%0.537SS..THydrogen-bonded Turntrans-72.3-35.7177.5-64-171.9-116.200111D20 L24 K71 K74D20-E22 PolarHBondContact O-N 3.35Å; D20-E22 PolarHBondContact OD1-N 2.88Å; E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 2.75Å; E22-K71 HydrophobicContact CG-CD 4.3Å; E22-K71 HydrophobicContact CG-CG 4.09Å; E22-K71 WeakPolarHBondContact OE1-CE 3.29Å; E22-K71 IonicContact OE1-NZ 2.6Å; E22-K71 PolarHBondContact OE1-NZ 3.49Å; E22-K71 VanDerWaalsContact OE2-CD 3.27Å; E22-K71 WeakPolarHBondContact OE2-CD 3.21Å; E22-K71 VanDerWaalsContact OE2-CE 3.29Å; E22-K71 WeakPolarHBondContact OE2-CE 3.46Å; E22-K71 IonicContact OE2-NZ 2.93Å; E22-K71 PolarHBondContact OE2-NZ 2.81Å; E22-K74 PolarHBondContact O-NZ 3.03Å
23A97.2Very high97.4Very high66 Ų66103.8 Ų103.855%0.54552%0.518SS..SBendtrans-75.9-8.717400000114.2D20 T25D20-A23 HydrophobicContact CB-CB 4.5Å; D20-A23 PolarHBondContact O-N 3.18Å; D20-A23 PolarHBondContact OD1-N 2.88Å; A23-T25 PolarHBondContact O-N 2.9Å
24L97.7Very high97.4Very high24 Ų24101.7 Ų101.713%0.12650%0.501CS..PPolyproline II helixtrans-58126179.117865.3000111.4Y21 E22 V26 K74 I77 K78Y21-L24 WeakPolarHBondContact O-CB 3.5Å; Y21-L24 PolarHBondContact O-N 2.85Å; E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 2.75Å; L24-V26 HydrophobicContact CD2-CG2 3.86Å; L24-V26 HydrophobicContact CG-CG2 3.99Å; L24-K74 HydrophobicContact CB-CD 4.42Å; L24-K74 WeakPolarHBondContact O-CD 3.13Å; L24-K74 WeakPolarHBondContact O-CE 3.15Å; L24-K74 PolarHBondContact O-NZ 3.14Å; L24-I77 HydrophobicContact CD2-CB 4.33Å; L24-I77 HydrophobicContact CD2-CG2 3.93Å; L24-K78 HydrophobicContact CD1-CD 4.4Å; L24-K78 HydrophobicContact CD2-CB 3.97Å; L24-K78 HydrophobicContact CD2-CD 4.41Å
25T97.2Very high97.5Very high126 Ų126100.7 Ų100.777%0.77350%0.503SS*.PPolyproline II helixtrans-95.6119.9166.6-60.50000108.4A23A23-T25 PolarHBondContact O-N 2.9Å
26V96.2Very high97.5Very high26 Ų26100.6 Ų100.616%0.15850%0.5CS..PPolyproline II helixtrans-98.1125.4-178.8-178.40000108.1L24 W28 I77L24-V26 HydrophobicContact CD2-CG2 3.86Å; L24-V26 HydrophobicContact CG-CG2 3.99Å; V26-W28 HydrophobicContact CB-CD2 4.47Å; V26-W28 HydrophobicContact CB-CZ2 3.98Å; V26-W28 HydrophobicContact CG1-CD2 3.88Å; V26-W28 HydrophobicContact CG1-CE3 4.11Å; V26-W28 HydrophobicContact CG1-CG 4.41Å; V26-W28 HydrophobicContact CG1-CH2 4.17Å; V26-W28 HydrophobicContact CG1-CZ2 3.94Å; V26-W28 HydrophobicContact CG1-CZ3 4.25Å; V26-W28 HydrophobicContact CG2-CZ2 4.39Å; V26-I77 HydrophobicContact CG1-CD1 4.2Å; V26-I77 HydrophobicContact CG2-CD1 4.06Å; V26-I77 HydrophobicContact CG2-CG2 4.48Å
27Q96.8Very high97.5Very high193 Ų19398.7 Ų98.790%0.90250%0.499SS*.  trans-80.4112.5163.6-67.9-177.6-8.900107.5
28W96.3Very high97.5Very high183 Ų18399.2 Ų99.269%0.69350%0.495SS*.  trans-85.1129.6177.8-5897.2000108.6V26 I73 I77V26-W28 HydrophobicContact CB-CD2 4.47Å; V26-W28 HydrophobicContact CB-CZ2 3.98Å; V26-W28 HydrophobicContact CG1-CD2 3.88Å; V26-W28 HydrophobicContact CG1-CE3 4.11Å; V26-W28 HydrophobicContact CG1-CG 4.41Å; V26-W28 HydrophobicContact CG1-CH2 4.17Å; V26-W28 HydrophobicContact CG1-CZ2 3.94Å; V26-W28 HydrophobicContact CG1-CZ3 4.25Å; V26-W28 HydrophobicContact CG2-CZ2 4.39Å; W28-I73 HydrophobicContact CH2-CG2 4.1Å; W28-I77 HydrophobicContact CH2-CD1 4.05Å; W28-I77 HydrophobicContact CZ3-CD1 4.37Å
29G96.3Very high97.5Very high66 Ų66100.6 Ų100.668%0.6850%0.503SS*.  trans-85.5177172.100000112
30E96.9Very high97.6Very high132 Ų13298 Ų9862%0.61750%0.5SS*.  trans-81.4130.9177.8-61.8-56144.100110.6D32E30-D32 VanDerWaalsContact C-N 3.31Å
31Q97Very high97.6Very high156 Ų15697.7 Ų97.773%0.72950%0.504SS*.G310 helixtrans-76.1-25.3179.8-62.3-166.7-75.200112.3D33 Y34Q31-D33 PolarHBondContact O-N 2.92Å; Q31-Y34 PolarHBondContact O-N 2.88Å
32D97.1Very high97.6Very high145 Ų145104.7 Ų104.778%0.77553%0.53SS*.G310 helixtrans-68.4-12.6-179.7-65.7-8.5000112.5E30 Y34E30-D32 VanDerWaalsContact C-N 3.31Å; D32-Y34 PolarHBondContact O-N 3.05Å
33D98.1Very high97.6Very high56 Ų56101.6 Ų101.630%0.29952%0.523SS..G310 helixtrans-67.7-6.2168.2-72.7-28.8000113Q31 N53 V54 N55Q31-D33 PolarHBondContact O-N 2.92Å; D33-N53 WeakPolarHBondContact O-CA 3.46Å; D33-N53 PolarHBondContact O-OD1 3.42Å; D33-V54 WeakPolarHBondContact O-CG2 3.36Å; D33-V54 PolarHBondContact O-N 2.83Å; D33-N55 WeakPolarHBondContact CB-ND2 3.45Å; D33-N55 PolarHBondContact OD1-ND2 3.4Å
34Y98.5Very high97.6Very high105 Ų105106.1 Ų106.141%0.41253%0.531SS..EExtended strand (participates in β ladder)trans-132.7127.9-174.9-56.9-86.1000112.5Q31 D32 I52 N53Q31-Y34 PolarHBondContact O-N 2.88Å; D32-Y34 PolarHBondContact O-N 3.05Å; Y34-I52 WeakPolarHBondContact CA-O 3.37Å; Y34-N53 HydrophobicContact CD1-CB 4Å; Y34-N53 HydrophobicContact CE1-CB 3.84Å
35E98.2Very high97.6Very high128 Ų128110.6 Ų110.660%0.59855%0.547SS*.EExtended strand (participates in β ladder)trans-102.9135.8174.4-76.2-178.1179.900111.5G51 I52 V54E35-G51 CarbonylContact O-C 3.45Å; E35-G51 WeakPolarHBondContact O-CA 3.44Å; E35-I52 PolarHBondContact N-O 3.08Å; E35-I52 PolarHBondContact O-N 3.1Å; E35-V54 HydrophobicContact CB-CG1 4.23Å; E35-V54 HydrophobicContact CG-CG1 3.64Å
36V98.2Very high97.6Very high83 Ų83105.4 Ų105.450%0.50352%0.515SS..EExtended strand (participates in β ladder)trans-81.8123.6175.11700000109.7F49 I62V36-F49 HydrophobicContact CG1-CB 4.01Å; V36-F49 HydrophobicContact CG1-CD1 3.55Å; V36-F49 HydrophobicContact CG1-CE1 4.33Å; V36-F49 HydrophobicContact CG1-CG 4.01Å; V36-F49 HydrophobicContact CG2-CB 4.35Å; V36-F49 HydrophobicContact CG2-CG 4.41Å; V36-I62 HydrophobicContact CG2-CD1 4.05Å
37V98.3Very high97.7Very high82 Ų82106.9 Ų106.950%0.49752%0.521SS..EExtended strand (participates in β ladder)trans-91.3-55.4175.5176.40000110.6E50 I52V37-E50 WeakPolarHBondContact CB-O 3.42Å; V37-E50 PolarHBondContact N-O 3.31Å; V37-I52 HydrophobicContact CG2-CD1 3.91Å; V37-I52 HydrophobicContact CG2-CG1 3.85Å
38R98.5Very high97.8Very high141 Ų14199.2 Ų99.253%0.53249%0.487SS..EExtended strand (participates in β ladder)trans-155.9152.9179.964.2177.8-179.699.99.5112V40 F49 E50R38-V40 HydrophobicContact CG-CG1 4.3Å; R38-F49 CarbonylContact O-C 3.53Å; R38-F49 VanDerWaalsContact O-CA 3.27Å; R38-F49 WeakPolarHBondContact O-CA 3.43Å; R38-E50 HydrophobicContact CG-CB 4.08Å; R38-E50 IonicContact CZ-OE2 3.1Å; R38-E50 PolarHBondContact N-O 2.82Å; R38-E50 IonicContact NE-OE2 2.72Å; R38-E50 PolarHBondContact NE-OE2 2.88Å; R38-E50 IonicContact NH2-OE2 2.72Å; R38-E50 PolarHBondContact NH2-OE2 2.96Å; R38-E50 PolarHBondContact O-N 3.27Å
39K98.5Very high97.9Very high102 Ų10292 Ų9244%0.44346%0.461SS..EExtended strand (participates in β ladder)trans-71.4133.1170-167.6174.1-167.8162.80110.3E47 F49K39-E47 WeakPolarHBondContact CE-OE1 3.42Å; K39-E47 IonicContact NZ-OE1 3.63Å; K39-E47 PolarHBondContact NZ-OE1 2.89Å; K39-F49 HydrophobicContact CB-CD1 3.87Å; K39-F49 HydrophobicContact CB-CE1 3.84Å; K39-F49 HydrophobicContact CD-CE1 4.27Å; K39-F49 HydrophobicContact CG-CD1 4.16Å; K39-F49 HydrophobicContact CG-CE1 3.9Å; K39-F49 HydrophobicContact CG-CZ 4.43Å
40V98.6Very high98Very high64 Ų6490.5 Ų90.539%0.38844%0.436SS..EExtended strand (participates in β ladder)trans-116.7-20.5178.3-59.10000113.2R38 V48 E50 I61R38-V40 HydrophobicContact CG-CG1 4.3Å; V40-V48 HydrophobicContact CG2-CB 3.94Å; V40-V48 HydrophobicContact CG2-CG1 3.6Å; V40-V48 WeakPolarHBondContact CG2-O 3.38Å; V40-V48 PolarHBondContact N-O 2.72Å; V40-E50 HydrophobicContact CG1-CB 3.83Å; V40-I61 HydrophobicContact CG2-CD1 4.5Å
41G98.3Very high98.1Very high26 Ų2684.2 Ų84.227%0.26841%0.407SS..EExtended strand (participates in β ladder)trans-160.9156.6-178.500000114.2V48G41-V48 PolarHBondContact N-O 2.72Å; G41-V48 VanDerWaalsContact N-O 3.08Å; G41-V48 PolarHBondContact O-N 2.87Å
42R98.3Very high98.2Very high201 Ų20179.2 Ų79.276%0.75838%0.384SS*.EExtended strand (participates in β ladder)trans-133.2127.2174.3-175.1-176.9-175.7-156.4-1.3109.3
43G97.3Very high98.3Very high28 Ų2873.7 Ų73.729%0.28936%0.355SS..  trans-122.5172.917500000112.7Y45 S46 K66G43-Y45 VanDerWaalsContact C-N 3.29Å; G43-Y45 PolarHBondContact O-N 2.82Å; G43-S46 CarbonylContact C-O 3.49Å; G43-S46 WeakPolarHBondContact CA-O 3.14Å; G43-S46 PolarHBondContact N-O 3.46Å; G43-K66 PolarHBondContact O-NZ 3.2Å
44K97.2Very high98.3Very high162 Ų16273.6 Ų73.670%0.70436%0.356SS*.SBendtrans-59.1-41.2174.5-177.7172.6179175.60111.9K66K44-K66 WeakPolarHBondContact O-CD 3.28Å
45Y97.3Very high98.2Very high117 Ų11773.9 Ų73.946%0.45937%0.365SS..SBendtrans-112.4-1.8-172.9-54.4-67.4000114.4G43 K66 V68G43-Y45 VanDerWaalsContact C-N 3.29Å; G43-Y45 PolarHBondContact O-N 2.82Å; Y45-K66 WeakPolarHBondContact O-CB 3.28Å; Y45-K66 PolarHBondContact O-N 3.38Å; Y45-V68 HydrophobicContact CD1-CG1 3.93Å
46S98.1Very high98.2Very high17 Ų1771.3 Ų71.312%0.11936%0.355CS..EExtended strand (participates in β ladder)trans-153.6162.7-178.9630000112.8G43 K63 I64G43-S46 CarbonylContact C-O 3.49Å; G43-S46 WeakPolarHBondContact CA-O 3.14Å; G43-S46 PolarHBondContact N-O 3.46Å; S46-K63 WeakPolarHBondContact OG-CE 3.48Å; S46-I64 CarbonylContact C-O 3.6Å; S46-I64 WeakPolarHBondContact CA-O 3.24Å; S46-I64 VanDerWaalsContact CB-O 3.28Å; S46-I64 WeakPolarHBondContact CB-O 2.86Å
47E98.4Very high98.2Very high58 Ų5873.6 Ų73.627%0.27137%0.365SS..EExtended strand (participates in β ladder)trans-121.1142.9164.7-59.9-167.8100.700108.2K39 F49 K63 I64K39-E47 WeakPolarHBondContact CE-OE1 3.42Å; K39-E47 IonicContact NZ-OE1 3.63Å; K39-E47 PolarHBondContact NZ-OE1 2.89Å; E47-F49 HydrophobicContact CB-CE2 3.62Å; E47-F49 HydrophobicContact CB-CZ 4.03Å; E47-K63 CarbonylContact O-C 3.55Å; E47-I64 PolarHBondContact N-O 2.88Å; E47-I64 PolarHBondContact O-N 3.27Å
48V98.7Very high98.2Very high32 Ų3275.6 Ų75.619%0.19437%0.368CS..EExtended strand (participates in β ladder)trans-125.1133.6-172.2-169.10000109V40 G41 I61 I62 K63V40-V48 HydrophobicContact CG2-CB 3.94Å; V40-V48 HydrophobicContact CG2-CG1 3.6Å; V40-V48 WeakPolarHBondContact CG2-O 3.38Å; V40-V48 PolarHBondContact N-O 2.72Å; G41-V48 PolarHBondContact N-O 2.72Å; G41-V48 VanDerWaalsContact N-O 3.08Å; G41-V48 PolarHBondContact O-N 2.87Å; V48-I61 HydrophobicContact CG1-CG2 3.43Å; V48-I61 VanDerWaalsContact CG1-CG2 3.43Å; V48-I62 WeakPolarHBondContact CA-O 3.18Å; V48-K63 HydrophobicContact CG2-CG 4.26Å
49F98.8Very high98.2Very high31 Ų3176.5 Ų76.514%0.13638%0.376CS..EExtended strand (participates in β ladder)trans-129.3145.8-176.8-56.4-96.5000110.1V36 R38 K39 E47 I61 I62 I64V36-F49 HydrophobicContact CG1-CB 4.01Å; V36-F49 HydrophobicContact CG1-CD1 3.55Å; V36-F49 HydrophobicContact CG1-CE1 4.33Å; V36-F49 HydrophobicContact CG1-CG 4.01Å; V36-F49 HydrophobicContact CG2-CB 4.35Å; V36-F49 HydrophobicContact CG2-CG 4.41Å; R38-F49 CarbonylContact O-C 3.53Å; R38-F49 VanDerWaalsContact O-CA 3.27Å; R38-F49 WeakPolarHBondContact O-CA 3.43Å; K39-F49 HydrophobicContact CB-CD1 3.87Å; K39-F49 HydrophobicContact CB-CE1 3.84Å; K39-F49 HydrophobicContact CD-CE1 4.27Å; K39-F49 HydrophobicContact CG-CD1 4.16Å; K39-F49 HydrophobicContact CG-CE1 3.9Å; K39-F49 HydrophobicContact CG-CZ 4.43Å; E47-F49 HydrophobicContact CB-CE2 3.62Å; E47-F49 HydrophobicContact CB-CZ 4.03Å; F49-I61 WeakPolarHBondContact O-CA 3.35Å; F49-I62 HydrophobicContact CB-CB 4.42Å; F49-I62 PolarHBondContact N-O 2.62Å; F49-I62 PolarHBondContact O-N 3.17Å; F49-I64 HydrophobicContact CD2-CD1 4.02Å; F49-I64 HydrophobicContact CD2-CG1 4.15Å; F49-I64 HydrophobicContact CE2-CB 4.44Å; F49-I64 HydrophobicContact CE2-CD1 3.66Å; F49-I64 HydrophobicContact CE2-CG1 4.03Å; F49-I64 HydrophobicContact CZ-CD1 4.49Å
50E98.7Very high98.2Very high35 Ų3573.4 Ų73.416%0.16437%0.367CS..EExtended strand (participates in β ladder)trans-78.7136.2157.7-179.3176.3-17200107.3V37 R38 V40 K59V37-E50 WeakPolarHBondContact CB-O 3.42Å; V37-E50 PolarHBondContact N-O 3.31Å; R38-E50 HydrophobicContact CG-CB 4.08Å; R38-E50 IonicContact CZ-OE2 3.1Å; R38-E50 PolarHBondContact N-O 2.82Å; R38-E50 IonicContact NE-OE2 2.72Å; R38-E50 PolarHBondContact NE-OE2 2.88Å; R38-E50 IonicContact NH2-OE2 2.72Å; R38-E50 PolarHBondContact NH2-OE2 2.96Å; R38-E50 PolarHBondContact O-N 3.27Å; V40-E50 HydrophobicContact CG1-CB 3.83Å; E50-K59 IonicContact OE1-NZ 2.63Å
51G98.5Very high98.2Very high0 Ų075.7 Ų75.70%038%0.376CS..EExtended strand (participates in β ladder)trans-144.3-179179.200000112.6E35 K59 C60E35-G51 CarbonylContact O-C 3.45Å; E35-G51 WeakPolarHBondContact O-CA 3.44Å; G51-K59 WeakPolarHBondContact O-CA 3.42Å; G51-C60 PolarHBondContact N-O 3.17Å; G51-C60 PolarHBondContact O-N 3.07Å
52I98.6Very high98.2Very high51 Ų5176 Ų7626%0.26237%0.371SS..EExtended strand (participates in β ladder)trans-128.8134.8176.9-61.6172.5000107.7Y34 E35 V37 V54 E58Y34-I52 WeakPolarHBondContact CA-O 3.37Å; E35-I52 PolarHBondContact N-O 3.08Å; E35-I52 PolarHBondContact O-N 3.1Å; V37-I52 HydrophobicContact CG2-CD1 3.91Å; V37-I52 HydrophobicContact CG2-CG1 3.85Å; I52-V54 PolarHBondContact O-N 3.26Å; I52-E58 WeakPolarHBondContact CA-O 3.48Å
53N98.5Very high98.2Very high28 Ų2871 Ų7115%0.1536%0.355CS..EExtended strand (participates in β ladder)trans-77.7114.1166.4176.3-12.8000108.2D33 Y34 N55 N56 N57 E58D33-N53 WeakPolarHBondContact O-CA 3.46Å; D33-N53 PolarHBondContact O-OD1 3.42Å; Y34-N53 HydrophobicContact CD1-CB 4Å; Y34-N53 HydrophobicContact CE1-CB 3.84Å; N53-N55 PolarHBondContact O-N 3.46Å; N53-N55 WeakPolarHBondContact OD1-CB 3.25Å; N53-N55 PolarHBondContact OD1-N 3.39Å; N53-N56 VanDerWaalsContact CB-OD1 3.24Å; N53-N56 WeakPolarHBondContact CB-OD1 3.29Å; N53-N56 VanDerWaalsContact CG-OD1 3.22Å; N53-N56 PolarHBondContact ND2-OD1 3.3Å; N53-N56 PolarHBondContact O-N 3.28Å; N53-N56 PolarHBondContact O-OD1 3.42Å; N53-N57 VanDerWaalsContact O-CA 3.29Å; N53-N57 WeakPolarHBondContact O-CA 3.37Å; N53-N57 PolarHBondContact O-N 3.49Å; N53-E58 PolarHBondContact N-O 2.86Å
54V97.9Very high98.2Very high54 Ų5473.2 Ų73.233%0.32736%0.359SS..THydrogen-bonded Turntrans-70-20.5-171.9-550000112.7D33 E35 I52 N56D33-V54 WeakPolarHBondContact O-CG2 3.36Å; D33-V54 PolarHBondContact O-N 2.83Å; E35-V54 HydrophobicContact CB-CG1 4.23Å; E35-V54 HydrophobicContact CG-CG1 3.64Å; I52-V54 PolarHBondContact O-N 3.26Å; V54-N56 VanDerWaalsContact C-N 3.35Å
55N97.8Very high98.3Very high112 Ų11268.3 Ų68.360%0.59934%0.34SS*.THydrogen-bonded Turntrans-75.6-24.3-179.3-66-56.5000113D33 N53D33-N55 WeakPolarHBondContact CB-ND2 3.45Å; D33-N55 PolarHBondContact OD1-ND2 3.4Å; N53-N55 PolarHBondContact O-N 3.46Å; N53-N55 WeakPolarHBondContact OD1-CB 3.25Å; N53-N55 PolarHBondContact OD1-N 3.39Å
56N98Very high98.2Very high73 Ų7365.5 Ų65.539%0.3933%0.33SS..THydrogen-bonded Turntrans-136.93-176.570.11.2000114.7N53 V54 E58N53-N56 VanDerWaalsContact CB-OD1 3.24Å; N53-N56 WeakPolarHBondContact CB-OD1 3.29Å; N53-N56 VanDerWaalsContact CG-OD1 3.22Å; N53-N56 PolarHBondContact ND2-OD1 3.3Å; N53-N56 PolarHBondContact O-N 3.28Å; N53-N56 PolarHBondContact O-OD1 3.42Å; V54-N56 VanDerWaalsContact C-N 3.35Å; N56-E58 HydrophobicContact CB-CG 4.44Å; N56-E58 VanDerWaalsContact ND2-CD 3.27Å; N56-E58 PolarHBondContact ND2-OE2 3.12Å; N56-E58 PolarHBondContact O-N 2.93Å; N56-E58 WeakPolarHBondContact OD1-CB 3.27Å; N56-E58 PolarHBondContact OD1-N 3.48Å
57N97.5Very high98.2Very high132 Ų13271.3 Ų71.371%0.70637%0.368SS*.THydrogen-bonded Turntrans57.719.6-176.7-69.2-50000115N53N53-N57 VanDerWaalsContact O-CA 3.29Å; N53-N57 WeakPolarHBondContact O-CA 3.37Å; N53-N57 PolarHBondContact O-N 3.49Å
58E98.6Very high98Very high124 Ų12470.6 Ų70.658%0.57937%0.367SS*.EExtended strand (participates in β ladder)trans-81.9137.7177.6-67.9-177.7158.800111.3I52 N53 N56I52-E58 WeakPolarHBondContact CA-O 3.48Å; N53-E58 PolarHBondContact N-O 2.86Å; N56-E58 HydrophobicContact CB-CG 4.44Å; N56-E58 VanDerWaalsContact ND2-CD 3.27Å; N56-E58 PolarHBondContact ND2-OE2 3.12Å; N56-E58 PolarHBondContact O-N 2.93Å; N56-E58 WeakPolarHBondContact OD1-CB 3.27Å; N56-E58 PolarHBondContact OD1-N 3.48Å
59K98.4Very high97.9Very high160 Ų16077 Ų7770%0.69639%0.392SS*.EExtended strand (participates in β ladder)trans-68.8137.5172.7-68.3-171.6176.4-1660110.3E50 G51E50-K59 IonicContact OE1-NZ 2.63Å; G51-K59 WeakPolarHBondContact O-CA 3.42Å
60C98.5Very high97.8Very high36 Ų3683.8 Ų83.824%0.24342%0.422CS..EExtended strand (participates in β ladder)trans-140.9170178.365.90000112.2G51G51-C60 PolarHBondContact N-O 3.17Å; G51-C60 PolarHBondContact O-N 3.07Å
61I98.5Very high97.7Very high112 Ų11286.7 Ų86.757%0.57443%0.434SS*.EExtended strand (participates in β ladder)trans-106.8125.5170.4-66.4-61.7000109.2V40 V48 F49V40-I61 HydrophobicContact CG2-CD1 4.5Å; V48-I61 HydrophobicContact CG1-CG2 3.43Å; V48-I61 VanDerWaalsContact CG1-CG2 3.43Å; F49-I61 WeakPolarHBondContact O-CA 3.35Å
62I98.5Very high97.7Very high32 Ų3291.2 Ų91.216%0.16445%0.454CS..EExtended strand (participates in β ladder)trans-104.2110.3176.9-54.4168.3000107.8V36 V48 F49 I64V36-I62 HydrophobicContact CG2-CD1 4.05Å; V48-I62 WeakPolarHBondContact CA-O 3.18Å; F49-I62 HydrophobicContact CB-CB 4.42Å; F49-I62 PolarHBondContact N-O 2.62Å; F49-I62 PolarHBondContact O-N 3.17Å; I62-I64 HydrophobicContact CG2-CG1 4.07Å
63K98.4Very high97.6Very high98 Ų9890.4 Ų90.443%0.42645%0.449SS..EExtended strand (participates in β ladder)trans-100.3101175.1-178.3178.1-179.9-175.90109.9S46 E47 V48 L65 E76S46-K63 WeakPolarHBondContact OG-CE 3.48Å; E47-K63 CarbonylContact O-C 3.55Å; V48-K63 HydrophobicContact CG2-CG 4.26Å; K63-L65 HydrophobicContact CD-CD2 4.4Å; K63-L65 HydrophobicContact CG-CD2 4.31Å; K63-L65 PolarHBondContact O-N 2.95Å; K63-E76 IonicContact NZ-OE1 2.62Å; K63-E76 PolarHBondContact NZ-OE1 3.44Å; K63-E76 IonicContact NZ-OE2 3.96Å
64I97.8Very high97.6Very high74 Ų7491.8 Ų91.838%0.37945%0.454SS..EExtended strand (participates in β ladder)trans-81.5117.6175.7-55.4-175.3000108.6S46 E47 F49 I62S46-I64 CarbonylContact C-O 3.6Å; S46-I64 WeakPolarHBondContact CA-O 3.24Å; S46-I64 VanDerWaalsContact CB-O 3.28Å; S46-I64 WeakPolarHBondContact CB-O 2.86Å; E47-I64 PolarHBondContact N-O 2.88Å; E47-I64 PolarHBondContact O-N 3.27Å; F49-I64 HydrophobicContact CD2-CD1 4.02Å; F49-I64 HydrophobicContact CD2-CG1 4.15Å; F49-I64 HydrophobicContact CE2-CB 4.44Å; F49-I64 HydrophobicContact CE2-CD1 3.66Å; F49-I64 HydrophobicContact CE2-CG1 4.03Å; F49-I64 HydrophobicContact CZ-CD1 4.49Å; I62-I64 HydrophobicContact CG2-CG1 4.07Å
65L97.9Very high97.6Very high58 Ų5894.7 Ų94.730%0.30446%0.459SS..EExtended strand (participates in β ladder)trans-80126.1175.6-60.2179.6000109.6K63 I73K63-L65 HydrophobicContact CD-CD2 4.4Å; K63-L65 HydrophobicContact CG-CD2 4.31Å; K63-L65 PolarHBondContact O-N 2.95Å; L65-I73 HydrophobicContact CD1-CB 4.25Å; L65-I73 HydrophobicContact CD1-CD1 4.43Å; L65-I73 HydrophobicContact CD1-CG1 3.95Å; L65-I73 HydrophobicContact CD1-CG2 3.73Å
66K97Very high97.7Very high59 Ų5992.7 Ų92.726%0.25745%0.446SS..PPolyproline II helixtrans-63.3160170.9-70.4175.8176.7172.60109.7G43 K44 Y45 V68G43-K66 PolarHBondContact O-NZ 3.2Å; K44-K66 WeakPolarHBondContact O-CD 3.28Å; Y45-K66 WeakPolarHBondContact O-CB 3.28Å; Y45-K66 PolarHBondContact O-N 3.38Å; K66-V68 WeakPolarHBondContact O-CG1 3.18Å; K66-V68 WeakPolarHBondContact O-CG2 3.35Å; K66-V68 PolarHBondContact O-N 3.46Å
67P96.7Very high97.7Very high139 Ų13991.1 Ų91.190%0.90344%0.437SS*.SBendtrans-51.5109.7176.1-28.836.2000112.2
68V95.8Very high97.7Very high43 Ų4386.4 Ų86.426%0.26141%0.411SS..  trans-139.6163.3178.6-66.20000109.8Y45 K66 K70 I73Y45-V68 HydrophobicContact CD1-CG1 3.93Å; K66-V68 WeakPolarHBondContact O-CG1 3.18Å; K66-V68 WeakPolarHBondContact O-CG2 3.35Å; K66-V68 PolarHBondContact O-N 3.46Å; V68-K70 PolarHBondContact O-N 3.26Å; V68-I73 HydrophobicContact CG2-CD1 3.92Å; V68-I73 HydrophobicContact CG2-CG1 3.58Å
69K96.5Very high97.7Very high166 Ų16684.7 Ų84.772%0.72241%0.405SS*.  trans-56.1131178.3-65.4-170.8177.4-173.10110.5K71 K72 I73K69-K71 PolarHBondContact O-N 3.41Å; K69-K72 WeakPolarHBondContact O-CB 3.46Å; K69-K72 PolarHBondContact O-N 2.91Å; K69-I73 PolarHBondContact O-N 2.88Å
70K95.9Very high97.7Very high173 Ų17380.8 Ų80.875%0.75239%0.391SS*.Hα-helixtrans-48.5-37.5177.2-71.5-174.2176.4-177.80113V68 K72 I73 K74V68-K70 PolarHBondContact O-N 3.26Å; K70-K72 VanDerWaalsContact C-N 3.27Å; K70-K72 PolarHBondContact O-N 3.08Å; K70-I73 WeakPolarHBondContact O-CB 3.16Å; K70-I73 PolarHBondContact O-N 3.44Å; K70-I73 VanDerWaalsContact O-N 3.1Å; K70-K74 PolarHBondContact O-N 3.01Å
71K97.2Very high97.7Very high96 Ų9684 Ų8442%0.41740%0.402SS..Hα-helixtrans-51.4-42.2173.3-178.3173.5-177147.90113.3Y21 E22 K69 R75Y21-K71 HydrophobicContact CE2-CG 3.77Å; Y21-K71 WeakPolarHBondContact OH-CE 3.29Å; E22-K71 HydrophobicContact CG-CD 4.3Å; E22-K71 HydrophobicContact CG-CG 4.09Å; E22-K71 WeakPolarHBondContact OE1-CE 3.29Å; E22-K71 IonicContact OE1-NZ 2.6Å; E22-K71 PolarHBondContact OE1-NZ 3.49Å; E22-K71 VanDerWaalsContact OE2-CD 3.27Å; E22-K71 WeakPolarHBondContact OE2-CD 3.21Å; E22-K71 VanDerWaalsContact OE2-CE 3.29Å; E22-K71 WeakPolarHBondContact OE2-CE 3.46Å; E22-K71 IonicContact OE2-NZ 2.93Å; E22-K71 PolarHBondContact OE2-NZ 2.81Å; K69-K71 PolarHBondContact O-N 3.41Å; K71-R75 WeakPolarHBondContact O-CB 3.22Å; K71-R75 PolarHBondContact O-N 3.36Å; K71-R75 VanDerWaalsContact O-N 3.12Å
72K97.4Very high97.7Very high96 Ų9681 Ų8142%0.41739%0.388SS..Hα-helixtrans-70.3-39.5178.9-68.5-167.7173.4-168.90111.8K69 K70 R75 E76K69-K72 WeakPolarHBondContact O-CB 3.46Å; K69-K72 PolarHBondContact O-N 2.91Å; K70-K72 VanDerWaalsContact C-N 3.27Å; K70-K72 PolarHBondContact O-N 3.08Å; K72-R75 PolarHBondContact O-N 2.6Å; K72-E76 PolarHBondContact O-N 3.13Å
73I97.7Very high97.6Very high33 Ų3383 Ų8317%0.16940%0.398CS..Hα-helixtrans-63.2-52.1177.8-55.9179.8000110W28 L65 V68 K69 K70 R75 E76 I77W28-I73 HydrophobicContact CH2-CG2 4.1Å; L65-I73 HydrophobicContact CD1-CB 4.25Å; L65-I73 HydrophobicContact CD1-CD1 4.43Å; L65-I73 HydrophobicContact CD1-CG1 3.95Å; L65-I73 HydrophobicContact CD1-CG2 3.73Å; V68-I73 HydrophobicContact CG2-CD1 3.92Å; V68-I73 HydrophobicContact CG2-CG1 3.58Å; K69-I73 PolarHBondContact O-N 2.88Å; K70-I73 WeakPolarHBondContact O-CB 3.16Å; K70-I73 PolarHBondContact O-N 3.44Å; K70-I73 VanDerWaalsContact O-N 3.1Å; I73-R75 VanDerWaalsContact C-N 3.27Å; I73-R75 PolarHBondContact O-N 3.36Å; I73-E76 PolarHBondContact O-N 3.15Å; I73-I77 HydrophobicContact CG2-CD1 3.86Å; I73-I77 WeakPolarHBondContact O-CG1 3.49Å; I73-I77 PolarHBondContact O-N 3.43Å; I73-I77 VanDerWaalsContact O-N 3.07Å
74K98.1Very high97.6Very high57 Ų5783.5 Ų83.525%0.24841%0.413CS..Hα-helixtrans-59.4-38178.1-66.8-169.4179.3-164.90112.7Y21 E22 L24 K70 I77 K78Y21-K74 VanDerWaalsContact O-CB 3.25Å; Y21-K74 WeakPolarHBondContact O-CB 3.24Å; Y21-K74 WeakPolarHBondContact O-CD 3.45Å; E22-K74 PolarHBondContact O-NZ 3.03Å; L24-K74 HydrophobicContact CB-CD 4.42Å; L24-K74 WeakPolarHBondContact O-CD 3.13Å; L24-K74 WeakPolarHBondContact O-CE 3.15Å; L24-K74 PolarHBondContact O-NZ 3.14Å; K70-K74 PolarHBondContact O-N 3.01Å; K74-I77 PolarHBondContact O-N 3.41Å; K74-K78 VanDerWaalsContact O-CB 3.28Å; K74-K78 WeakPolarHBondContact O-CB 3.48Å; K74-K78 PolarHBondContact O-N 2.89Å
75R98.4Very high97.6Very high116 Ų11684 Ų8444%0.43844%0.436SS..Hα-helixtrans-60.7-45.4176.9-170.7176.967.2174.37.1112.2Y21 K71 K72 I73 I79Y21-R75 HydrophobicContact CD1-CB 4.28Å; Y21-R75 HydrophobicContact CD1-CG 3.89Å; Y21-R75 HydrophobicContact CD2-CB 3.54Å; Y21-R75 HydrophobicContact CD2-CG 4.04Å; Y21-R75 HydrophobicContact CE1-CB 4.42Å; Y21-R75 HydrophobicContact CE1-CG 3.85Å; Y21-R75 HydrophobicContact CE2-CB 3.67Å; Y21-R75 HydrophobicContact CE2-CG 3.97Å; Y21-R75 HydrophobicContact CG-CB 3.88Å; Y21-R75 HydrophobicContact CG-CG 4Å; K71-R75 WeakPolarHBondContact O-CB 3.22Å; K71-R75 PolarHBondContact O-N 3.36Å; K71-R75 VanDerWaalsContact O-N 3.12Å; K72-R75 PolarHBondContact O-N 2.6Å; I73-R75 VanDerWaalsContact C-N 3.27Å; I73-R75 PolarHBondContact O-N 3.36Å; R75-I79 HydrophobicContact CG-CD1 3.99Å; R75-I79 VanDerWaalsContact O-CG1 3.29Å; R75-I79 WeakPolarHBondContact O-CG1 3.31Å; R75-I79 PolarHBondContact O-N 3.28Å; R75-I79 VanDerWaalsContact O-N 3.13Å
76E98.3Very high97.7Very high70 Ų7082.4 Ų82.433%0.32743%0.433SS..Hα-helixtrans-64.7-48.8178.7-173.5169.3169.800111.2K63 K72 I73 K78 I79 L80K63-E76 IonicContact NZ-OE1 2.62Å; K63-E76 PolarHBondContact NZ-OE1 3.44Å; K63-E76 IonicContact NZ-OE2 3.96Å; K72-E76 PolarHBondContact O-N 3.13Å; I73-E76 PolarHBondContact O-N 3.15Å; E76-K78 PolarHBondContact O-N 3.3Å; E76-I79 PolarHBondContact O-N 3.09Å; E76-L80 HydrophobicContact CG-CD1 4.25Å; E76-L80 WeakPolarHBondContact O-CG 3.3Å; E76-L80 PolarHBondContact O-N 3.3Å; E76-L80 VanDerWaalsContact O-N 3.08Å
77I98.2Very high97.7Very high40 Ų4085.1 Ų85.121%0.20546%0.457CS..Hα-helixtrans-56.4-49.4176.6-65.5170000110.8L24 V26 W28 I73 K74 I79 L80 Q81L24-I77 HydrophobicContact CD2-CB 4.33Å; L24-I77 HydrophobicContact CD2-CG2 3.93Å; V26-I77 HydrophobicContact CG1-CD1 4.2Å; V26-I77 HydrophobicContact CG2-CD1 4.06Å; V26-I77 HydrophobicContact CG2-CG2 4.48Å; W28-I77 HydrophobicContact CH2-CD1 4.05Å; W28-I77 HydrophobicContact CZ3-CD1 4.37Å; I73-I77 HydrophobicContact CG2-CD1 3.86Å; I73-I77 WeakPolarHBondContact O-CG1 3.49Å; I73-I77 PolarHBondContact O-N 3.43Å; I73-I77 VanDerWaalsContact O-N 3.07Å; K74-I77 PolarHBondContact O-N 3.41Å; I77-I79 PolarHBondContact O-N 3.4Å; I77-L80 PolarHBondContact O-N 3.23Å; I77-Q81 HydrophobicContact CG2-CG 4.28Å; I77-Q81 WeakPolarHBondContact O-CG 3.39Å; I77-Q81 PolarHBondContact O-N 3.28Å
78K98.2Very high97.8Very high32 Ų3286.8 Ų86.814%0.13946%0.459CS..Hα-helixtrans-63.1-41.7-176.1-173.551.2173.51730112.6E17 Y18 L24 K74 E76 Q81 N82E17-K78 WeakPolarHBondContact O-CE 3.2Å; E17-K78 PolarHBondContact O-NZ 2.93Å; Y18-K78 WeakPolarHBondContact O-CE 3.42Å; L24-K78 HydrophobicContact CD1-CD 4.4Å; L24-K78 HydrophobicContact CD2-CB 3.97Å; L24-K78 HydrophobicContact CD2-CD 4.41Å; K74-K78 VanDerWaalsContact O-CB 3.28Å; K74-K78 WeakPolarHBondContact O-CB 3.48Å; K74-K78 PolarHBondContact O-N 2.89Å; E76-K78 PolarHBondContact O-N 3.3Å; K78-Q81 PolarHBondContact O-N 2.94Å; K78-N82 WeakPolarHBondContact CE-OD1 3.41Å; K78-N82 PolarHBondContact NZ-OD1 2.83Å; K78-N82 WeakPolarHBondContact O-CB 3.34Å; K78-N82 PolarHBondContact O-N 3.21Å; K78-N82 PolarHBondContact O-OD1 3.11Å
79I98.7Very high97.9Very high89 Ų8988.4 Ų88.446%0.45647%0.465SS..Hα-helixtrans-64.4-44.4178.1-71.1170.6000110.2R75 E76 I77 N82 L83R75-I79 HydrophobicContact CG-CD1 3.99Å; R75-I79 VanDerWaalsContact O-CG1 3.29Å; R75-I79 WeakPolarHBondContact O-CG1 3.31Å; R75-I79 PolarHBondContact O-N 3.28Å; R75-I79 VanDerWaalsContact O-N 3.13Å; E76-I79 PolarHBondContact O-N 3.09Å; I77-I79 PolarHBondContact O-N 3.4Å; I79-N82 PolarHBondContact O-N 3Å; I79-L83 HydrophobicContact CG2-CD1 3.76Å; I79-L83 HydrophobicContact CG2-CG 4.42Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.3Å; I79-L83 PolarHBondContact O-N 2.93Å; I79-L83 VanDerWaalsContact O-N 3.09Å
80L98.4Very high97.8Very high77 Ų7789.1 Ų89.140%0.40348%0.483SS..Hα-helixtrans-62.7-44.4177.2-70.3171.3000111.9E76 I77 N82 L83 C84 V90E76-L80 HydrophobicContact CG-CD1 4.25Å; E76-L80 WeakPolarHBondContact O-CG 3.3Å; E76-L80 PolarHBondContact O-N 3.3Å; E76-L80 VanDerWaalsContact O-N 3.08Å; I77-L80 PolarHBondContact O-N 3.23Å; L80-N82 VanDerWaalsContact C-N 3.3Å; L80-N82 PolarHBondContact O-N 3.45Å; L80-L83 PolarHBondContact O-N 3.31Å; L80-L83 VanDerWaalsContact O-N 3.14Å; L80-C84 PolarHBondContact O-N 3.41Å; L80-V90 HydrophobicContact CD2-CG1 4.39Å
81Q97.7Very high97.9Very high104 Ų10485 Ų8549%0.48647%0.47SS..Hα-helixtrans-57.5-42.8174.9-74.5176.7-24.500112.3I77 K78 L83I77-Q81 HydrophobicContact CG2-CG 4.28Å; I77-Q81 WeakPolarHBondContact O-CG 3.39Å; I77-Q81 PolarHBondContact O-N 3.28Å; K78-Q81 PolarHBondContact O-N 2.94Å; Q81-L83 VanDerWaalsContact C-N 3.3Å; Q81-L83 PolarHBondContact O-N 3.17Å
82N98.1Very high98Very high50 Ų5084.4 Ų84.427%0.26747%0.472SS..Hα-helixtrans-70.5-24.7179.9-70.4-8.5000113.3Y18 K78 I79 L80Y18-N82 HydrophobicContact CE2-CB 3.88Å; Y18-N82 PolarHBondContact O-ND2 2.73Å; K78-N82 WeakPolarHBondContact CE-OD1 3.41Å; K78-N82 PolarHBondContact NZ-OD1 2.83Å; K78-N82 WeakPolarHBondContact O-CB 3.34Å; K78-N82 PolarHBondContact O-N 3.21Å; K78-N82 PolarHBondContact O-OD1 3.11Å; I79-N82 PolarHBondContact O-N 3Å; L80-N82 VanDerWaalsContact C-N 3.3Å; L80-N82 PolarHBondContact O-N 3.45Å
83L98.3Very high98Very high73 Ų7383.7 Ų83.738%0.38248%0.475SS..Hα-helixtrans-100.3-1.9-177.2-63.8177.3000113.6I79 L80 Q81 G85 G86 I89I79-L83 HydrophobicContact CG2-CD1 3.76Å; I79-L83 HydrophobicContact CG2-CG 4.42Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.3Å; I79-L83 PolarHBondContact O-N 2.93Å; I79-L83 VanDerWaalsContact O-N 3.09Å; L80-L83 PolarHBondContact O-N 3.31Å; L80-L83 VanDerWaalsContact O-N 3.14Å; Q81-L83 VanDerWaalsContact C-N 3.3Å; Q81-L83 PolarHBondContact O-N 3.17Å; L83-G85 PolarHBondContact O-N 3.09Å; L83-G86 WeakPolarHBondContact O-CA 3.48Å; L83-G86 PolarHBondContact O-N 3.24Å; L83-I89 HydrophobicContact CB-CG2 3.94Å
84C98Very high98Very high108 Ų10886.7 Ų86.773%0.7349%0.493SS*.THydrogen-bonded Turntrans-54.4132.5179-174.40000111.2L80 G86L80-C84 PolarHBondContact O-N 3.41Å; C84-G86 PolarHBondContact O-N 3.46Å
85G97.9Very high98Very high84 Ų8488.6 Ų88.687%0.86651%0.509SS*.THydrogen-bonded Turntrans79.20.1-17500000114.8L83L83-G85 PolarHBondContact O-N 3.09Å
86G98.3Very high98Very high25 Ų2586.7 Ų86.726%0.25851%0.513SS..  trans-69153.2173.900000113L83 C84 N88 I89L83-G86 WeakPolarHBondContact O-CA 3.48Å; L83-G86 PolarHBondContact O-N 3.24Å; C84-G86 PolarHBondContact O-N 3.46Å; G86-N88 PolarHBondContact O-N 2.86Å; G86-I89 PolarHBondContact O-N 3.45Å
87P98.5Very high97.9Very high117 Ų11787.9 Ų87.976%0.7653%0.527SS*.THydrogen-bonded Turntrans-64.8124.7-177.527.1-34.4000111.2I89P87-I89 PolarHBondContact O-N 3.48Å
88N98Very high97.9Very high173 Ų17391.6 Ų91.693%0.92555%0.552SS**THydrogen-bonded Turntrans58.225.7179.5-51-48.9000114.3G86G86-N88 PolarHBondContact O-N 2.86Å
89I97.8Very high97.9Very high78 Ų7896.6 Ų96.640%0.459%0.586SS.*  trans-96.9137.4170.1-57-60.8000108.6L83 G86 P87L83-I89 HydrophobicContact CB-CG2 3.94Å; G86-I89 PolarHBondContact O-N 3.45Å; P87-I89 PolarHBondContact O-N 3.48Å
90V95.2Very high97.8Very high181 Ų18197.3 Ų97.3100%1.09760%0.598SS**  trans-69.10174.966.30000112.2L80L80-V90 HydrophobicContact CD2-CG1 4.39Å

Retrieved 90 of 90 residues in 102.4 ms (Link to these results)

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