G4LVF9_SCHMA Loading...

Small ribosomal subunit protein mS25

AlphaFold DB , UniProt , Accession G4LVF9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 185 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
1M49.3Very low72.7Confident186 Ų186107.5 Ų107.592%0.91658%0.58SS**  0120.10-60.9-160.6-170.500110.4F3 L4M1-F3 VanDerWaalsContact C-N 3.27Å; M1-F3 PolarHBondContact O-N 3.05Å; M1-L4 HydrophobicContact CB-CD1 4.37Å; M1-L4 HydrophobicContact SD-CD1 4.5Å
2P63Low74Confident94 Ų94100 Ų10061%0.6154%0.54SS*.G310 helixtrans-67.9-21.9-176.624.6-31.2000114
3F62.3Low75.1Confident138 Ų138102.8 Ų102.861%0.60554%0.539SS*.G310 helixtrans-74.3-26.4-175.1-60.3-68.1000115.2M1 K5 A10 R13M1-F3 VanDerWaalsContact C-N 3.27Å; M1-F3 PolarHBondContact O-N 3.05Å; F3-K5 VanDerWaalsContact C-N 3.33Å; F3-K5 PolarHBondContact O-N 3.12Å; F3-A10 WeakPolarHBondContact O-CB 3.39Å; F3-R13 HydrophobicContact CD1-CB 4.48Å
4L69Low76.3Confident129 Ų129100 Ų10068%0.67553%0.528SS*.G310 helixtrans-81.5-10.1-179.2-76.2158.4000113.6M1 G6M1-L4 HydrophobicContact CB-CD1 4.37Å; M1-L4 HydrophobicContact SD-CD1 4.5Å; L4-G6 PolarHBondContact O-N 3.14Å
5K69Low77.3Confident168 Ų168102.7 Ų102.773%0.7353%0.533SS*.THydrogen-bonded Turntrans-74.693.6176.7-67.8-173.6175.7-1750109.5F3 R13F3-K5 VanDerWaalsContact C-N 3.33Å; F3-K5 PolarHBondContact O-N 3.12Å; K5-R13 PolarHBondContact O-NH1 3Å
6G69.8Low78.3Confident46 Ų46107.3 Ų107.347%0.47455%0.548SS..THydrogen-bonded Turntrans157.8-1.8-179.200000115.8L4 R8 A9L4-G6 PolarHBondContact O-N 3.14Å; G6-R8 PolarHBondContact O-N 3.23Å; G6-A9 PolarHBondContact O-N 3.48Å; G6-A9 VanDerWaalsContact O-N 3.14Å
7G81.4Confident79.2Confident60 Ų60104.4 Ų104.462%0.61953%0.529SS*.G310 helixtrans58-128.2179.500000111.3A9 A10G7-A9 PolarHBondContact O-N 3.36Å; G7-A9 VanDerWaalsContact O-N 3.16Å; G7-A10 VanDerWaalsContact O-CB 3.26Å; G7-A10 WeakPolarHBondContact O-CB 3.45Å; G7-A10 PolarHBondContact O-N 2.54Å
8R77.5Confident80Confident237 Ų237100.2 Ų100.289%0.89451%0.508SS*.G310 helixtrans-58-28.4179.4-70.4-178176.4130.6-1.2113.8G6 A10G6-R8 PolarHBondContact O-N 3.23Å; R8-A10 VanDerWaalsContact C-N 3.26Å; R8-A10 PolarHBondContact O-N 3.01Å
9A83.3Confident80.6Confident27 Ų2799.2 Ų99.222%0.22350%0.501CS..G310 helixtrans-79.2-5.2179.900000113.4G6 G7 V11 T12G6-A9 PolarHBondContact O-N 3.48Å; G6-A9 VanDerWaalsContact O-N 3.14Å; G7-A9 PolarHBondContact O-N 3.36Å; G7-A9 VanDerWaalsContact O-N 3.16Å; A9-V11 PolarHBondContact O-N 3.28Å; A9-T12 PolarHBondContact O-N 3.26Å; A9-T12 PolarHBondContact O-OG1 3.15Å
10A86.9Confident81.1Confident18 Ų1897.8 Ų97.815%0.14951%0.505CS..G310 helixtrans-61.1-28177.600000112.8F3 G7 R8 T12 R13F3-A10 WeakPolarHBondContact O-CB 3.39Å; G7-A10 VanDerWaalsContact O-CB 3.26Å; G7-A10 WeakPolarHBondContact O-CB 3.45Å; G7-A10 PolarHBondContact O-N 2.54Å; R8-A10 VanDerWaalsContact C-N 3.26Å; R8-A10 PolarHBondContact O-N 3.01Å; A10-T12 PolarHBondContact O-N 3.5Å; A10-R13 PolarHBondContact O-N 3.25Å
11V87.8Confident81.3Confident80 Ų8093.6 Ų93.649%0.48549%0.487SS..G310 helixtrans-59.5-32.9178.31790000112A9 R13 T14 Y17A9-V11 PolarHBondContact O-N 3.28Å; V11-R13 PolarHBondContact O-N 2.87Å; V11-R13 VanDerWaalsContact O-N 3.1Å; V11-T14 WeakPolarHBondContact O-CB 3.3Å; V11-T14 PolarHBondContact O-N 3.4Å; V11-T14 PolarHBondContact O-OG1 2.91Å; V11-Y17 HydrophobicContact CG1-CD2 4.07Å; V11-Y17 HydrophobicContact CG1-CG 4.45Å; V11-Y17 WeakPolarHBondContact O-CB 3.5Å
12T88.6Confident83Confident17 Ų1794 Ų9410%0.10448%0.478CS..G310 helixtrans-66.8-14.8-177.866.60000113.4A9 A10 Y17 W52A9-T12 PolarHBondContact O-N 3.26Å; A9-T12 PolarHBondContact O-OG1 3.15Å; A10-T12 PolarHBondContact O-N 3.5Å; T12-Y17 VanDerWaalsContact CA-CD1 3.5Å; T12-Y17 HydrophobicContact CG2-CD1 4.38Å; T12-Y17 HydrophobicContact CG2-CE1 3.81Å; T12-W52 HydrophobicContact CG2-CE3 3.53Å; T12-W52 HydrophobicContact CG2-CZ3 3.65Å
13R88.6Confident84.1Confident137 Ų13789.7 Ų89.752%0.51745%0.45SS..G310 helixtrans-946.7177-60-177.7179.5142.7-0.4113.5F3 K5 A10 V11F3-R13 HydrophobicContact CD1-CB 4.48Å; K5-R13 PolarHBondContact O-NH1 3Å; A10-R13 PolarHBondContact O-N 3.25Å; V11-R13 PolarHBondContact O-N 2.87Å; V11-R13 VanDerWaalsContact O-N 3.1Å
14T91.2Very high85.4Confident63 Ų6386.6 Ų86.639%0.38744%0.439SS..SBendtrans-90.2139.5178640000111.1V11 K16 Y17 L18V11-T14 WeakPolarHBondContact O-CB 3.3Å; V11-T14 PolarHBondContact O-N 3.4Å; V11-T14 PolarHBondContact O-OG1 2.91Å; T14-K16 VanDerWaalsContact C-N 3.27Å; T14-K16 PolarHBondContact O-N 2.77Å; T14-Y17 WeakPolarHBondContact O-CB 3.5Å; T14-Y17 PolarHBondContact O-N 3.01Å; T14-Y17 VanDerWaalsContact OG1-CB 3.28Å; T14-Y17 WeakPolarHBondContact OG1-CB 3.5Å; T14-Y17 PolarHBondContact OG1-N 3.35Å; T14-L18 PolarHBondContact O-N 3.39Å; T14-L18 VanDerWaalsContact O-N 3.12Å
15K92.4Very high86.4Confident140 Ų14080.7 Ų80.761%0.60941%0.408SS*.Hα-helixtrans-54.2-44178.5180175.8170.9178.90112.2Y17 L18 E19K15-Y17 VanDerWaalsContact C-N 3.27Å; K15-Y17 PolarHBondContact O-N 2.89Å; K15-L18 PolarHBondContact O-N 3.2Å; K15-E19 WeakPolarHBondContact CE-OE1 3.1Å; K15-E19 HydrophobicContact CG-CG 4.32Å; K15-E19 IonicContact NZ-OE1 3.67Å; K15-E19 WeakPolarHBondContact O-CG 3.45Å; K15-E19 PolarHBondContact O-N 3.19Å
16K92.7Very high87.4Confident177 Ų17775.6 Ų75.677%0.7739%0.389SS*.Hα-helixtrans-58.1-37.9177.9-172.8176.2-179.3177.90112.7T14 A20T14-K16 VanDerWaalsContact C-N 3.27Å; T14-K16 PolarHBondContact O-N 2.77Å; K16-A20 PolarHBondContact O-N 3.34Å
17Y93.2Very high88.2Confident57 Ų5779.1 Ų79.122%0.22440%0.397CS..Hα-helixtrans-70.8-43.8177.1-176.3-94.7000111.9V11 T12 T14 K15 E19 A20 W52 P56V11-Y17 HydrophobicContact CG1-CD2 4.07Å; V11-Y17 HydrophobicContact CG1-CG 4.45Å; V11-Y17 WeakPolarHBondContact O-CB 3.5Å; T12-Y17 VanDerWaalsContact CA-CD1 3.5Å; T12-Y17 HydrophobicContact CG2-CD1 4.38Å; T12-Y17 HydrophobicContact CG2-CE1 3.81Å; T14-Y17 WeakPolarHBondContact O-CB 3.5Å; T14-Y17 PolarHBondContact O-N 3.01Å; T14-Y17 VanDerWaalsContact OG1-CB 3.28Å; T14-Y17 WeakPolarHBondContact OG1-CB 3.5Å; T14-Y17 PolarHBondContact OG1-N 3.35Å; K15-Y17 VanDerWaalsContact C-N 3.27Å; K15-Y17 PolarHBondContact O-N 2.89Å; Y17-E19 VanDerWaalsContact C-N 3.32Å; Y17-E19 PolarHBondContact O-N 2.97Å; Y17-A20 WeakPolarHBondContact O-CB 3.31Å; Y17-A20 PolarHBondContact O-N 3.4Å; Y17-A20 VanDerWaalsContact O-N 3.16Å; Y17-W52 WeakPolarHBondContact CE1-O 3.28Å; Y17-W52 PolarHBondContact OH-O 2.74Å; Y17-P56 HydrophobicContact CD1-CG 3.87Å; Y17-P56 HydrophobicContact CE1-CG 3.55Å
18L93.6Very high88.6Confident30 Ų3077.3 Ų77.316%0.15738%0.378CS..Hα-helixtrans-63.2-38.7178.3-63174.3000112T14 K15 A20 G21 P55 P56 F59T14-L18 PolarHBondContact O-N 3.39Å; T14-L18 VanDerWaalsContact O-N 3.12Å; K15-L18 PolarHBondContact O-N 3.2Å; L18-A20 VanDerWaalsContact C-N 3.31Å; L18-A20 PolarHBondContact O-N 3.03Å; L18-G21 PolarHBondContact O-N 3.23Å; L18-P55 HydrophobicContact CD2-CB 3.66Å; L18-P56 HydrophobicContact CD2-CG 4.49Å; L18-F59 HydrophobicContact CB-CB 3.93Å; L18-F59 HydrophobicContact CB-CD1 3.64Å; L18-F59 HydrophobicContact CB-CD2 4.12Å; L18-F59 HydrophobicContact CB-CE1 4.15Å; L18-F59 HydrophobicContact CB-CG 3.62Å; L18-F59 HydrophobicContact CD1-CB 4.44Å; L18-F59 HydrophobicContact CD1-CD2 3.82Å; L18-F59 HydrophobicContact CD1-CE2 4.26Å; L18-F59 HydrophobicContact CD1-CG 4.12Å; L18-F59 HydrophobicContact CD2-CB 4.23Å; L18-F59 HydrophobicContact CG-CB 4.43Å; L18-F59 HydrophobicContact CG-CG 4.35Å
19E91.6Very high89.4Confident80 Ų8066.3 Ų66.337%0.37434%0.337SS..Hα-helixtrans-69.3-25.5175.6-72.9175.5161.900113K15 Y17 G21 F59 R60K15-E19 WeakPolarHBondContact CE-OE1 3.1Å; K15-E19 HydrophobicContact CG-CG 4.32Å; K15-E19 IonicContact NZ-OE1 3.67Å; K15-E19 WeakPolarHBondContact O-CG 3.45Å; K15-E19 PolarHBondContact O-N 3.19Å; Y17-E19 VanDerWaalsContact C-N 3.32Å; Y17-E19 PolarHBondContact O-N 2.97Å; E19-G21 PolarHBondContact O-N 3.14Å; E19-F59 HydrophobicContact CG-CE1 3.83Å; E19-R60 PolarHBondContact O-NE 3.16Å; E19-R60 PolarHBondContact O-NH2 3.23Å
20A90.3Very high89.9Confident71 Ų7169 Ų6959%0.58734%0.344SS*.THydrogen-bonded Turntrans-71.6-6.6-179.700000114.2K16 Y17 L18 R22K16-A20 PolarHBondContact O-N 3.34Å; Y17-A20 WeakPolarHBondContact O-CB 3.31Å; Y17-A20 PolarHBondContact O-N 3.4Å; Y17-A20 VanDerWaalsContact O-N 3.16Å; L18-A20 VanDerWaalsContact C-N 3.31Å; L18-A20 PolarHBondContact O-N 3.03Å; A20-R22 PolarHBondContact O-N 3.04Å
21G86.7Confident90.3Very high11 Ų1170.8 Ų70.811%0.11335%0.351CS..  trans-59.6127.3173.800000112L18 E19 R60L18-G21 PolarHBondContact O-N 3.23Å; E19-G21 PolarHBondContact O-N 3.14Å; G21-R60 PolarHBondContact O-NE 3.47Å
22R85.1Confident90.7Very high194 Ų19467.4 Ų67.473%0.73233%0.33SS*.  trans-85.1-23.8-177.9-52.4-179.9-164.41642.2113.4A20 L24 Y101A20-R22 PolarHBondContact O-N 3.04Å; R22-L24 PolarHBondContact O-N 3.06Å; R22-Y101 WeakPolarHBondContact CB-OH 3.5Å; R22-Y101 PolarHBondContact N-OH 3.35Å
23I85.9Confident91.1Very high4 Ų467.2 Ų67.22%0.02133%0.329CS..  trans-81.2112.4-173.7-64.6168.3000110.4L25 L57 N61 Y101 L104 I105I23-L25 HydrophobicContact CG2-CD2 3.64Å; I23-L25 HydrophobicContact CG2-CG 4.05Å; I23-L57 HydrophobicContact CB-CD1 4.34Å; I23-L57 HydrophobicContact CD1-CD1 3.87Å; I23-L57 HydrophobicContact CG2-CD1 4.12Å; I23-N61 PolarHBondContact O-ND2 3.36Å; I23-Y101 HydrophobicContact CD1-CD2 3.54Å; I23-Y101 HydrophobicContact CD1-CE1 4.3Å; I23-Y101 HydrophobicContact CD1-CE2 3.24Å; I23-Y101 HydrophobicContact CD1-CG 4.19Å; I23-Y101 HydrophobicContact CG1-CE1 4.42Å; I23-Y101 HydrophobicContact CG1-CE2 3.87Å; I23-Y101 PolarHBondContact N-OH 3.32Å; I23-L104 HydrophobicContact CD1-CB 4.28Å; I23-I105 HydrophobicContact CD1-CG1 3.78Å; I23-I105 HydrophobicContact CG1-CB 4.44Å; I23-I105 HydrophobicContact CG1-CD1 4.12Å; I23-I105 HydrophobicContact CG1-CG1 3.27Å
24L88.3Confident91.5Very high72 Ų7260.9 Ų60.938%0.37731%0.305SS..PPolyproline II helixtrans-103.3117158.5-70.5167.1000107.3R22 R60 K110R22-L24 PolarHBondContact O-N 3.06Å; L24-R60 HydrophobicContact CD2-CB 4.38Å; L24-K110 HydrophobicContact CB-CD 4.38Å; L24-K110 PolarHBondContact O-N 3.34Å
25L90.3Very high91.8Very high5 Ų558.3 Ų58.33%0.02629%0.289CS..BIsolated β-bridgetrans-74.6146.9-177.9-64171.6000110.3I23 V29 I32 L57 N61 V64 L108 K110I23-L25 HydrophobicContact CG2-CD2 3.64Å; I23-L25 HydrophobicContact CG2-CG 4.05Å; L25-V29 HydrophobicContact CB-CB 4.48Å; L25-V29 HydrophobicContact CD1-CG1 4.43Å; L25-I32 HydrophobicContact CD1-CD1 3.68Å; L25-I32 HydrophobicContact CD2-CD1 4.43Å; L25-L57 HydrophobicContact CD1-CD2 4.38Å; L25-N61 HydrophobicContact CD1-CB 3.98Å; L25-N61 HydrophobicContact CG-CB 4.46Å; L25-N61 PolarHBondContact N-OD1 2.89Å; L25-V64 HydrophobicContact CD1-CB 4.16Å; L25-V64 HydrophobicContact CD1-CG1 3.96Å; L25-V64 HydrophobicContact CD1-CG2 3.86Å; L25-L108 HydrophobicContact CD2-CB 3.62Å; L25-L108 HydrophobicContact CD2-CD1 3.73Å; L25-L108 HydrophobicContact CD2-CG 4.35Å; L25-K110 WeakPolarHBondContact O-CE 3.42Å
26N89.4Confident91.9Very high62 Ų6252.2 Ų52.233%0.33226%0.262SS..PPolyproline II helixtrans-58.2145.6168.5-77-23.7000111.4G28 V29 L108 K110N26-G28 PolarHBondContact O-N 3.3Å; N26-G28 VanDerWaalsContact O-N 3.11Å; N26-V29 HydrophobicContact CB-CG2 4.45Å; N26-V29 WeakPolarHBondContact O-CB 3.43Å; N26-V29 PolarHBondContact O-N 2.83Å; N26-L108 PolarHBondContact N-O 3.16Å; N26-K110 VanDerWaalsContact OD1-CA 3.27Å; N26-K110 WeakPolarHBondContact OD1-CA 3.16Å; N26-K110 WeakPolarHBondContact OD1-CG 3.27Å; N26-K110 PolarHBondContact OD1-N 3.08Å
27D87.5Confident92.1Very high120 Ų12045.1 Ų45.164%0.64223%0.234SC*.THydrogen-bonded Turntrans-65-19.5-175.9-61.9-44.1000113.4V29 K30 K110D27-V29 VanDerWaalsContact C-N 3.29Å; D27-V29 PolarHBondContact O-N 2.87Å; D27-K30 PolarHBondContact O-NZ 3.11Å; D27-K110 WeakPolarHBondContact OD1-CE 3.41Å; D27-K110 IonicContact OD1-NZ 2.8Å; D27-K110 PolarHBondContact OD1-NZ 3.49Å; D27-K110 WeakPolarHBondContact OD2-CE 3.24Å; D27-K110 IonicContact OD2-NZ 3.72Å; D27-K110 PolarHBondContact OD2-NZ 3.4Å; D27-K110 VanDerWaalsContact OD2-NZ 3.08Å
28G89.9Confident92Very high22 Ų2245.3 Ų45.323%0.22724%0.242CC..THydrogen-bonded Turntrans-72.5-15.917400000114.1N26 L82 E83N26-G28 PolarHBondContact O-N 3.3Å; N26-G28 VanDerWaalsContact O-N 3.11Å; G28-L82 CarbonylContact O-C 3.4Å; G28-L82 WeakPolarHBondContact O-CA 2.77Å; G28-E83 PolarHBondContact O-N 3.29Å
29V93.2Very high91.8Very high5 Ų547.5 Ų47.53%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-81.6125178.7-178.20000109.5L25 N26 D27 I32 V64 I80 L108L25-V29 HydrophobicContact CB-CB 4.48Å; L25-V29 HydrophobicContact CD1-CG1 4.43Å; N26-V29 HydrophobicContact CB-CG2 4.45Å; N26-V29 WeakPolarHBondContact O-CB 3.43Å; N26-V29 PolarHBondContact O-N 2.83Å; D27-V29 VanDerWaalsContact C-N 3.29Å; D27-V29 PolarHBondContact O-N 2.87Å; V29-I32 HydrophobicContact CG1-CD1 4.22Å; V29-I32 HydrophobicContact CG1-CG1 4.03Å; V29-V64 HydrophobicContact CG1-CG1 4.22Å; V29-V64 WeakPolarHBondContact O-CG2 3.35Å; V29-I80 HydrophobicContact CG1-CG2 3.78Å; V29-I80 HydrophobicContact CG2-CG2 4.41Å; V29-L108 HydrophobicContact CG2-CD2 3.89Å
30K94.3Very high91.9Very high84 Ų8445.3 Ų45.337%0.36527%0.267SS..EExtended strand (participates in β ladder)trans-113.2-46.6-178.8-59.8-60.2-174.8-169.80113.2D27 Q65 Y81 E83D27-K30 PolarHBondContact O-NZ 3.11Å; K30-Q65 PolarHBondContact O-N 3.22Å; K30-Y81 PolarHBondContact N-O 2.9Å; K30-E83 VanDerWaalsContact CE-CD 3.48Å; K30-E83 WeakPolarHBondContact CE-OE1 3.42Å; K30-E83 IonicContact NZ-OE1 2.7Å; K30-E83 PolarHBondContact NZ-OE1 3.16Å; K30-E83 IonicContact NZ-OE2 2.73Å
31I96.1Very high92Very high56 Ų5650.1 Ų50.129%0.28728%0.278SS..EExtended strand (participates in β ladder)trans-130.2132.5-174.5-50.1172.2000109.6V33 Q65 I67 Y81I31-V33 HydrophobicContact CG2-CG2 4.05Å; I31-Q65 CarbonylContact C-O 3.57Å; I31-Q65 WeakPolarHBondContact CA-O 3.42Å; I31-Q65 HydrophobicContact CG1-CB 4.47Å; I31-I67 HydrophobicContact CG2-CD1 4.44Å; I31-Y81 HydrophobicContact CB-CD2 3.94Å; I31-Y81 HydrophobicContact CB-CG 4.36Å; I31-Y81 HydrophobicContact CG2-CD2 4.13Å; I31-Y81 PolarHBondContact N-O 3.08Å; I31-Y81 PolarHBondContact O-N 3.48Å
32I96.4Very high92.4Very high9 Ų952.3 Ų52.35%0.04629%0.286CS..EExtended strand (participates in β ladder)trans-118.1124.5171.1-59.9176.5000108.1L25 V29 I34 L57 V64 Q65 I66 I67 I78 K79 I80L25-I32 HydrophobicContact CD1-CD1 3.68Å; L25-I32 HydrophobicContact CD2-CD1 4.43Å; V29-I32 HydrophobicContact CG1-CD1 4.22Å; V29-I32 HydrophobicContact CG1-CG1 4.03Å; I32-I34 HydrophobicContact CG2-CG1 4.05Å; I32-L57 HydrophobicContact CD1-CD2 4.32Å; I32-V64 HydrophobicContact CD1-CG1 4.05Å; I32-V64 HydrophobicContact CG1-CG1 4.03Å; I32-Q65 PolarHBondContact N-O 3.22Å; I32-I66 HydrophobicContact CB-CG1 4.36Å; I32-I66 HydrophobicContact CB-CG2 4.34Å; I32-I66 HydrophobicContact CG2-CG2 4.43Å; I32-I66 CarbonylContact O-C 3.59Å; I32-I66 WeakPolarHBondContact O-CA 3.45Å; I32-I67 PolarHBondContact O-N 3.44Å; I32-I78 HydrophobicContact CG2-CG2 3.7Å; I32-K79 CarbonylContact C-O 3.6Å; I32-K79 WeakPolarHBondContact CA-O 3.31Å; I32-I80 HydrophobicContact CG1-CG1 4.43Å
33V97.2Very high92.8Very high13 Ų1343.1 Ų43.18%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-113.7120178176.80000108.7I31 I67 F69 I78 K79 Y81I31-V33 HydrophobicContact CG2-CG2 4.05Å; V33-I67 CarbonylContact C-O 3.56Å; V33-I67 WeakPolarHBondContact CA-O 3.33Å; V33-F69 HydrophobicContact CG1-CD2 3.5Å; V33-F69 VanDerWaalsContact CG1-CD2 3.5Å; V33-F69 HydrophobicContact CG1-CE2 3.49Å; V33-F69 VanDerWaalsContact CG1-CE2 3.49Å; V33-I78 CarbonylContact O-C 3.58Å; V33-I78 WeakPolarHBondContact O-CA 3.39Å; V33-K79 HydrophobicContact CB-CB 4.13Å; V33-K79 PolarHBondContact N-O 3.28Å; V33-K79 PolarHBondContact O-N 3.49Å; V33-Y81 HydrophobicContact CB-CE2 4.47Å; V33-Y81 HydrophobicContact CG2-CD2 4.34Å; V33-Y81 HydrophobicContact CG2-CE2 3.78Å
34I96.9Very high93.2Very high3 Ų348.1 Ų48.12%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-111.2117.1-178.7-54.3173.1000108.8I32 F49 I50 L54 I66 I67 T68 F69 I78I32-I34 HydrophobicContact CG2-CG1 4.05Å; I34-F49 HydrophobicContact CD1-CE1 4.12Å; I34-I50 HydrophobicContact CG2-CD1 3.85Å; I34-I50 HydrophobicContact CG2-CG1 4.06Å; I34-L54 HydrophobicContact CD1-CD1 3.46Å; I34-L54 VanDerWaalsContact CD1-CD1 3.46Å; I34-I66 HydrophobicContact CD1-CG2 4.03Å; I34-I67 PolarHBondContact N-O 3Å; I34-T68 HydrophobicContact CB-CG2 4.23Å; I34-T68 HydrophobicContact CD1-CG2 4.46Å; I34-T68 CarbonylContact O-C 3.58Å; I34-T68 VanDerWaalsContact O-CA 3.32Å; I34-T68 WeakPolarHBondContact O-CA 3.39Å; I34-F69 PolarHBondContact O-N 2.95Å; I34-I78 HydrophobicContact CG1-CG1 4.21Å; I34-I78 HydrophobicContact CG1-CG2 4.33Å; I34-I78 HydrophobicContact CG2-CG1 4.21Å
35N96.4Very high93.6Very high9 Ų944.9 Ų44.95%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-106.4125.1176.2-67-13.9000109.4F69 F73 P76 F77N35-F69 VanDerWaalsContact OD1-CB 3.31Å; N35-F69 WeakPolarHBondContact OD1-CB 3.28Å; N35-F69 VanDerWaalsContact OD1-CD2 3.25Å; N35-F69 WeakPolarHBondContact OD1-CD2 3.47Å; N35-F73 WeakPolarHBondContact ND2-CD2 3.34Å; N35-P76 WeakPolarHBondContact O-CA 3.37Å; N35-P76 WeakPolarHBondContact O-CB 3.35Å; N35-F77 HydrophobicContact CB-CD1 4.41Å; N35-F77 HydrophobicContact CB-CE1 4.28Å; N35-F77 HydrophobicContact CB-CE2 4.34Å; N35-F77 HydrophobicContact CB-CZ 4.28Å; N35-F77 PolarHBondContact N-O 3Å; N35-F77 WeakPolarHBondContact ND2-CE2 3.48Å; N35-F77 WeakPolarHBondContact ND2-CZ 3.43Å; N35-F77 PolarHBondContact O-N 3.45Å; N35-F77 VanDerWaalsContact O-N 3.11Å
36H95.7Very high93.8Very high12 Ų1244.7 Ų44.76%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-140.2158.717668-67000111.5P38 C46 D47 I50 F69 K70 N71H36-P38 WeakPolarHBondContact O-CD 2.96Å; H36-C46 HydrophobicContact CB-CB 4.36Å; H36-D47 IonicContact CD2-OD1 3Å; H36-D47 PolarHBondContact CD2-OD1 3.39Å; H36-D47 IonicContact CG-OD1 3.63Å; H36-I50 HydrophobicContact CB-CD1 4.19Å; H36-I50 VanDerWaalsContact CE1-CD1 3.41Å; H36-I50 WeakPolarHBondContact CE1-CD1 3.49Å; H36-I50 WeakPolarHBondContact ND1-CD1 3.26Å; H36-F69 PolarHBondContact N-O 3.38Å; H36-F69 VanDerWaalsContact N-O 3.15Å; H36-F69 PolarHBondContact ND1-O 3.27Å; H36-K70 VanDerWaalsContact CE1-CG 3.45Å; H36-K70 WeakPolarHBondContact CE1-CG 3.36Å; H36-K70 WeakPolarHBondContact O-CA 3.47Å; H36-N71 PolarHBondContact O-N 3.25Å
37V95.2Very high94.1Very high29 Ų2943.6 Ų43.618%0.17625%0.252CS..  trans-107.499.3172.8-179.70000106.9G39 A40 S43 N71 F73V37-G39 PolarHBondContact O-N 3.16Å; V37-A40 HydrophobicContact CB-CB 4.13Å; V37-A40 HydrophobicContact CG1-CB 3.75Å; V37-A40 PolarHBondContact O-N 3.48Å; V37-S43 WeakPolarHBondContact O-CB 3.25Å; V37-S43 PolarHBondContact O-OG 3.24Å; V37-N71 WeakPolarHBondContact CG1-OD1 3.49Å; V37-F73 WeakPolarHBondContact CG2-O 3.32Å
38P92.4Very high94.4Very high60 Ų6041.1 Ų41.139%0.3924%0.237SC..THydrogen-bonded Turntrans-54.9127.4-179.120-34.8000112H36 A40 D47 K70 N71H36-P38 WeakPolarHBondContact O-CD 2.96Å; P38-A40 PolarHBondContact O-N 2.88Å; P38-D47 WeakPolarHBondContact CA-OD2 3.44Å; P38-K70 HydrophobicContact CG-CB 4.47Å; P38-N71 VanDerWaalsContact CD-OD1 3.3Å; P38-N71 WeakPolarHBondContact CD-OD1 3.37Å
39G89.8Confident94.6Very high76 Ų7640.2 Ų40.278%0.78423%0.226SC*.THydrogen-bonded Turntrans82.61.3172.600000116.3V37 D47V37-G39 PolarHBondContact O-N 3.16Å; G39-D47 PolarHBondContact N-OD2 2.82Å; G39-D47 VanDerWaalsContact N-OD2 3.14Å
40A93.1Very high94.7Very high34 Ų3441.4 Ų41.428%0.28123%0.232SC..  trans-83.7145.4169.600000111.1V37 P38 I42 S43 H44V37-A40 HydrophobicContact CB-CB 4.13Å; V37-A40 HydrophobicContact CG1-CB 3.75Å; V37-A40 PolarHBondContact O-N 3.48Å; P38-A40 PolarHBondContact O-N 2.88Å; A40-I42 PolarHBondContact O-N 3.2Å; A40-S43 PolarHBondContact O-N 3.41Å; A40-S43 PolarHBondContact O-OG 3.1Å; A40-H44 PolarHBondContact O-N 3.43Å
41E92.8Very high94.6Very high173 Ų17343 Ų4381%0.80824%0.239SC*.G310 helixtrans-61.9-33.7179.1-64.1-174.5168.500112.2S43 H44E41-S43 PolarHBondContact O-N 3.1Å; E41-H44 PolarHBondContact O-N 2.87Å
42I94.2Very high94.4Very high57 Ų5743.9 Ų43.929%0.29224%0.239SC..G310 helixtrans-59.9-32.9179.9-51.9-178.3000111.6A40 P76 A93 F94A40-I42 PolarHBondContact O-N 3.2Å; I42-P76 HydrophobicContact CG2-CG 4.26Å; I42-A93 HydrophobicContact CG2-CB 3.76Å; I42-F94 HydrophobicContact CB-CE1 4.43Å; I42-F94 HydrophobicContact CB-CZ 4.29Å; I42-F94 HydrophobicContact CD1-CZ 4.22Å; I42-F94 HydrophobicContact CG1-CE1 3.95Å; I42-F94 HydrophobicContact CG1-CE2 4.16Å; I42-F94 HydrophobicContact CG1-CZ 3.61Å; I42-F94 HydrophobicContact CG2-CD2 4.22Å; I42-F94 HydrophobicContact CG2-CE2 4Å; I42-F94 HydrophobicContact CG2-CZ 4.27Å; I42-F94 PolarHBondContact O-N 3.41Å
43S93.8Very high94.3Very high0 Ų045.2 Ų45.20%025%0.245CC..G310 helixtrans-107.54.5-173.641.40000113.8V37 A40 E41 G45 C46 D47V37-S43 WeakPolarHBondContact O-CB 3.25Å; V37-S43 PolarHBondContact O-OG 3.24Å; A40-S43 PolarHBondContact O-N 3.41Å; A40-S43 PolarHBondContact O-OG 3.1Å; E41-S43 PolarHBondContact O-N 3.1Å; S43-G45 VanDerWaalsContact C-N 3.3Å; S43-G45 PolarHBondContact O-N 3.17Å; S43-C46 WeakPolarHBondContact O-CA 3.16Å; S43-C46 WeakPolarHBondContact O-CB 3.44Å; S43-C46 PolarHBondContact O-N 3.26Å; S43-D47 PolarHBondContact O-N 2.93Å
44H95Very high94.2Very high109 Ų10945.8 Ų45.851%0.50525%0.248SC..Hα-helixtrans-51-47.2-177.9-176.4-81.4000112.8A40 E41 C46 D47 E48A40-H44 PolarHBondContact O-N 3.43Å; E41-H44 PolarHBondContact O-N 2.87Å; H44-C46 VanDerWaalsContact C-N 3.33Å; H44-C46 PolarHBondContact O-N 3.21Å; H44-D47 PolarHBondContact O-N 2.86Å; H44-E48 IonicContact CE1-OE1 3.08Å; H44-E48 PolarHBondContact CE1-OE1 2.82Å; H44-E48 VanDerWaalsContact CE1-OE1 3.3Å; H44-E48 IonicContact CE1-OE2 3.3Å; H44-E48 IonicContact ND1-OE2 3.69Å; H44-E48 WeakPolarHBondContact O-CG 3.31Å; H44-E48 PolarHBondContact O-N 3.19Å
45G95.1Very high94Very high5 Ų547.4 Ų47.45%0.05226%0.258CS..Hα-helixtrans-70-26.417800000114.3S43 F49 R95S43-G45 VanDerWaalsContact C-N 3.3Å; S43-G45 PolarHBondContact O-N 3.17Å; G45-F49 VanDerWaalsContact O-CB 3.28Å; G45-F49 WeakPolarHBondContact O-CB 3.34Å; G45-F49 PolarHBondContact O-N 2.81Å; G45-R95 WeakPolarHBondContact CA-O 3.43Å
46C95.5Very high93.9Very high0 Ų047.4 Ų47.40%026%0.259CS..Hα-helixtrans-72.7-40174-163.70000111H36 S43 H44 F49 I50 P76 C92H36-C46 HydrophobicContact CB-CB 4.36Å; S43-C46 WeakPolarHBondContact O-CA 3.16Å; S43-C46 WeakPolarHBondContact O-CB 3.44Å; S43-C46 PolarHBondContact O-N 3.26Å; H44-C46 VanDerWaalsContact C-N 3.33Å; H44-C46 PolarHBondContact O-N 3.21Å; C46-F49 WeakPolarHBondContact O-CB 3.1Å; C46-F49 PolarHBondContact O-N 2.94Å; C46-I50 WeakPolarHBondContact O-CG1 3.41Å; C46-I50 PolarHBondContact O-N 2.87Å; C46-P76 HydrophobicContact CB-CB 4.22Å; C46-C92 HydrophobicContact CB-CB 4.4Å
47D94.6Very high93.8Very high40 Ų4047.2 Ų47.221%0.21426%0.258CS..Hα-helixtrans-62.9-43.4175.4-68.62.5000110.9H36 P38 G39 S43 H44 I50 K51H36-D47 IonicContact CD2-OD1 3Å; H36-D47 PolarHBondContact CD2-OD1 3.39Å; H36-D47 IonicContact CG-OD1 3.63Å; P38-D47 WeakPolarHBondContact CA-OD2 3.44Å; G39-D47 PolarHBondContact N-OD2 2.82Å; G39-D47 VanDerWaalsContact N-OD2 3.14Å; S43-D47 PolarHBondContact O-N 2.93Å; H44-D47 PolarHBondContact O-N 2.86Å; D47-I50 PolarHBondContact O-N 2.77Å; D47-K51 WeakPolarHBondContact O-CB 3.19Å; D47-K51 PolarHBondContact O-N 2.79Å
48E94.6Very high93.7Very high67 Ų6750.7 Ų50.731%0.31327%0.272SS..Hα-helixtrans-64.4-39.8173-73.3-171.6143.400112.3H44 K51 W52 N97H44-E48 IonicContact CE1-OE1 3.08Å; H44-E48 PolarHBondContact CE1-OE1 2.82Å; H44-E48 VanDerWaalsContact CE1-OE1 3.3Å; H44-E48 IonicContact CE1-OE2 3.3Å; H44-E48 IonicContact ND1-OE2 3.69Å; H44-E48 WeakPolarHBondContact O-CG 3.31Å; H44-E48 PolarHBondContact O-N 3.19Å; E48-K51 PolarHBondContact O-N 3.4Å; E48-W52 WeakPolarHBondContact O-CB 3.4Å; E48-W52 PolarHBondContact O-N 3.48Å; E48-N97 HydrophobicContact CB-CB 3.92Å
49F94.9Very high93.8Very high3 Ų352.6 Ų52.61%0.01328%0.275CS..Hα-helixtrans-60.1-46.2174.8175.5-89.9000111.6I34 G45 C46 K51 W52 H53 L54 I78 N97 I100 Y101 L104I34-F49 HydrophobicContact CD1-CE1 4.12Å; G45-F49 VanDerWaalsContact O-CB 3.28Å; G45-F49 WeakPolarHBondContact O-CB 3.34Å; G45-F49 PolarHBondContact O-N 2.81Å; C46-F49 WeakPolarHBondContact O-CB 3.1Å; C46-F49 PolarHBondContact O-N 2.94Å; F49-K51 VanDerWaalsContact C-N 3.29Å; F49-K51 PolarHBondContact O-N 3.16Å; F49-W52 PolarHBondContact O-N 2.94Å; F49-H53 HydrophobicContact CD2-CB 3.68Å; F49-H53 AromaticContact CD2-CD2 3.84Å; F49-H53 HydrophobicContact CE2-CB 3.67Å; F49-H53 HydrophobicContact CG-CB 4.27Å; F49-H53 HydrophobicContact CZ-CB 4.25Å; F49-H53 WeakPolarHBondContact O-CA 3.36Å; F49-H53 WeakPolarHBondContact O-CB 3.43Å; F49-H53 PolarHBondContact O-N 3.38Å; F49-L54 PolarHBondContact O-N 3.25Å; F49-L54 VanDerWaalsContact O-N 3.16Å; F49-I78 HydrophobicContact CE1-CD1 4.29Å; F49-N97 HydrophobicContact CB-CB 4.42Å; F49-I100 HydrophobicContact CD2-CB 4.31Å; F49-I100 HydrophobicContact CD2-CG2 3.86Å; F49-I100 HydrophobicContact CE2-CG2 4.09Å; F49-I100 HydrophobicContact CG-CG2 4.17Å; F49-Y101 HydrophobicContact CE2-CD2 4.02Å; F49-L104 HydrophobicContact CE1-CD1 4.28Å; F49-L104 HydrophobicContact CE2-CD1 3.74Å; F49-L104 HydrophobicContact CZ-CD1 3.4Å; F49-L104 VanDerWaalsContact CZ-CD1 3.4Å
50I94.5Very high93.9Very high31 Ų3154 Ų5416%0.15926%0.256CS..Hα-helixtrans-60.4-41.6176.2-70.9167.9000110.8I34 H36 C46 D47 L54I34-I50 HydrophobicContact CG2-CD1 3.85Å; I34-I50 HydrophobicContact CG2-CG1 4.06Å; H36-I50 HydrophobicContact CB-CD1 4.19Å; H36-I50 VanDerWaalsContact CE1-CD1 3.41Å; H36-I50 WeakPolarHBondContact CE1-CD1 3.49Å; H36-I50 WeakPolarHBondContact ND1-CD1 3.26Å; C46-I50 WeakPolarHBondContact O-CG1 3.41Å; C46-I50 PolarHBondContact O-N 2.87Å; D47-I50 PolarHBondContact O-N 2.77Å; I50-L54 HydrophobicContact CG2-CD2 4.11Å; I50-L54 WeakPolarHBondContact O-CB 3.49Å
51K92.1Very high93.9Very high116 Ų11653 Ų5350%0.50425%0.246SC..Hα-helixtrans-69.5-41.9-177.3-172.6176.1-179.2177.30113.3D47 E48 F49D47-K51 WeakPolarHBondContact O-CB 3.19Å; D47-K51 PolarHBondContact O-N 2.79Å; E48-K51 PolarHBondContact O-N 3.4Å; F49-K51 VanDerWaalsContact C-N 3.29Å; F49-K51 PolarHBondContact O-N 3.16Å
52W93Very high93.8Very high75 Ų7549.8 Ų49.828%0.28424%0.24SC..Hα-helixtrans-102.8-43-170.3-62.6115000113.3T12 Y17 E48 F49 P56T12-W52 HydrophobicContact CG2-CE3 3.53Å; T12-W52 HydrophobicContact CG2-CZ3 3.65Å; Y17-W52 WeakPolarHBondContact CE1-O 3.28Å; Y17-W52 PolarHBondContact OH-O 2.74Å; E48-W52 WeakPolarHBondContact O-CB 3.4Å; E48-W52 PolarHBondContact O-N 3.48Å; F49-W52 PolarHBondContact O-N 2.94Å; W52-P56 WeakPolarHBondContact O-CD 3.28Å
53H93.7Very high93.8Very high38 Ų3854.5 Ų54.518%0.17627%0.266CS..THydrogen-bonded Turntrans-98-23.9-170.2-63.3-63.6000114.1F49 P56 L57 N97 Y101F49-H53 HydrophobicContact CD2-CB 3.68Å; F49-H53 AromaticContact CD2-CD2 3.84Å; F49-H53 HydrophobicContact CE2-CB 3.67Å; F49-H53 HydrophobicContact CG-CB 4.27Å; F49-H53 HydrophobicContact CZ-CB 4.25Å; F49-H53 WeakPolarHBondContact O-CA 3.36Å; F49-H53 WeakPolarHBondContact O-CB 3.43Å; F49-H53 PolarHBondContact O-N 3.38Å; H53-P56 WeakPolarHBondContact O-CD 3.33Å; H53-L57 VanDerWaalsContact O-CB 3.22Å; H53-L57 WeakPolarHBondContact O-CB 3.48Å; H53-L57 PolarHBondContact O-N 3.28Å; H53-L57 VanDerWaalsContact O-N 3.16Å; H53-N97 PolarHBondContact NE2-ND2 3.46Å; H53-Y101 HydrophobicContact CB-CD2 3.77Å; H53-Y101 HydrophobicContact CB-CE2 4.14Å; H53-Y101 AromaticContact CG-CD2 3.53Å; H53-Y101 AromaticContact ND1-CD2 3.44Å; H53-Y101 WeakPolarHBondContact ND1-CD2 3.15Å; H53-Y101 AromaticContact ND1-CE2 3.63Å; H53-Y101 AromaticContact ND1-CG 3.97Å
54L94.2Very high93.8Very high25 Ų2555.2 Ų55.213%0.13127%0.271CS..Hα-helixtrans-60.5-46.9178.1-165.875.2000113.4I34 F49 I50 L57 Q58 I66 T68I34-L54 HydrophobicContact CD1-CD1 3.46Å; I34-L54 VanDerWaalsContact CD1-CD1 3.46Å; F49-L54 PolarHBondContact O-N 3.25Å; F49-L54 VanDerWaalsContact O-N 3.16Å; I50-L54 HydrophobicContact CG2-CD2 4.11Å; I50-L54 WeakPolarHBondContact O-CB 3.49Å; L54-L57 PolarHBondContact O-N 3.05Å; L54-Q58 PolarHBondContact O-N 3.05Å; L54-I66 HydrophobicContact CD1-CG2 3.63Å; L54-T68 HydrophobicContact CD2-CG2 4.1Å
55P93.7Very high93.8Very high37 Ų3755.5 Ų55.524%0.2427%0.272CS..Hα-helixtrans-64.6-47.4-175.7-16.529.2000113.3L18 L57 Q58 F59L18-P55 HydrophobicContact CD2-CB 3.66Å; P55-L57 VanDerWaalsContact C-N 3.29Å; P55-L57 PolarHBondContact O-N 3.12Å; P55-Q58 PolarHBondContact O-N 3.17Å; P55-F59 WeakPolarHBondContact O-CB 3.36Å; P55-F59 PolarHBondContact O-N 3.4Å
56P94Very high93.9Very high8 Ų856.6 Ų56.65%0.05228%0.276CS..Hα-helixtrans-60-38.3173.3-24.234.3000113Y17 L18 W52 H53 F59 R60Y17-P56 HydrophobicContact CD1-CG 3.87Å; Y17-P56 HydrophobicContact CE1-CG 3.55Å; L18-P56 HydrophobicContact CD2-CG 4.49Å; W52-P56 WeakPolarHBondContact O-CD 3.28Å; H53-P56 WeakPolarHBondContact O-CD 3.33Å; P56-F59 PolarHBondContact O-N 3.38Å; P56-R60 WeakPolarHBondContact O-CB 3.47Å; P56-R60 WeakPolarHBondContact O-CG 3.37Å; P56-R60 PolarHBondContact O-N 3.02Å
57L93.5Very high94Very high8 Ų859.1 Ų59.14%0.04229%0.289CS..Hα-helixtrans-65.1-41.4180-171.4139.7000111.7I23 L25 I32 H53 L54 P55 N61 I66I23-L57 HydrophobicContact CB-CD1 4.34Å; I23-L57 HydrophobicContact CD1-CD1 3.87Å; I23-L57 HydrophobicContact CG2-CD1 4.12Å; L25-L57 HydrophobicContact CD1-CD2 4.38Å; I32-L57 HydrophobicContact CD1-CD2 4.32Å; H53-L57 VanDerWaalsContact O-CB 3.22Å; H53-L57 WeakPolarHBondContact O-CB 3.48Å; H53-L57 PolarHBondContact O-N 3.28Å; H53-L57 VanDerWaalsContact O-N 3.16Å; L54-L57 PolarHBondContact O-N 3.05Å; P55-L57 VanDerWaalsContact C-N 3.29Å; P55-L57 PolarHBondContact O-N 3.12Å; L57-N61 WeakPolarHBondContact O-CB 3.45Å; L57-N61 PolarHBondContact O-N 2.94Å; L57-N61 PolarHBondContact O-ND2 2.98Å; L57-I66 HydrophobicContact CD2-CD1 3.4Å; L57-I66 HydrophobicContact CD2-CG1 4.36Å
58Q94.1Very high94Very high103 Ų10360 Ų6048%0.48130%0.296SS..Hα-helixtrans-69.9-40.4174.7-168.4172.89.100112.4L54 P55 R60 N61 I66L54-Q58 PolarHBondContact O-N 3.05Å; P55-Q58 PolarHBondContact O-N 3.17Å; Q58-R60 VanDerWaalsContact C-N 3.33Å; Q58-R60 PolarHBondContact O-N 3.48Å; Q58-N61 CarbonylContact O-C 3.36Å; Q58-N61 PolarHBondContact O-N 2.93Å; Q58-I66 HydrophobicContact CB-CD1 3.83Å; Q58-I66 HydrophobicContact CG-CD1 4.14Å
59F94.4Very high94.1Very high100 Ų10060.5 Ų60.544%0.43930%0.297SS..Hα-helixtrans-63.2-39.7179.7-178.3-98.3000112.4L18 E19 P55 P56L18-F59 HydrophobicContact CB-CB 3.93Å; L18-F59 HydrophobicContact CB-CD1 3.64Å; L18-F59 HydrophobicContact CB-CD2 4.12Å; L18-F59 HydrophobicContact CB-CE1 4.15Å; L18-F59 HydrophobicContact CB-CG 3.62Å; L18-F59 HydrophobicContact CD1-CB 4.44Å; L18-F59 HydrophobicContact CD1-CD2 3.82Å; L18-F59 HydrophobicContact CD1-CE2 4.26Å; L18-F59 HydrophobicContact CD1-CG 4.12Å; L18-F59 HydrophobicContact CD2-CB 4.23Å; L18-F59 HydrophobicContact CG-CB 4.43Å; L18-F59 HydrophobicContact CG-CG 4.35Å; E19-F59 HydrophobicContact CG-CE1 3.83Å; P55-F59 WeakPolarHBondContact O-CB 3.36Å; P55-F59 PolarHBondContact O-N 3.4Å; P56-F59 PolarHBondContact O-N 3.38Å
60R91Very high94.1Very high105 Ų10566.8 Ų66.840%0.39633%0.325SS..Hα-helixtrans-73.5-25.7177.6-76.4-69.1-165.9166.80.9113.4E19 G21 L24 P56 Q58 P62E19-R60 PolarHBondContact O-NE 3.16Å; E19-R60 PolarHBondContact O-NH2 3.23Å; G21-R60 PolarHBondContact O-NE 3.47Å; L24-R60 HydrophobicContact CD2-CB 4.38Å; P56-R60 WeakPolarHBondContact O-CB 3.47Å; P56-R60 WeakPolarHBondContact O-CG 3.37Å; P56-R60 PolarHBondContact O-N 3.02Å; Q58-R60 VanDerWaalsContact C-N 3.33Å; Q58-R60 PolarHBondContact O-N 3.48Å; R60-P62 WeakPolarHBondContact O-CD 3.45Å
61N92.5Very high94.1Very high14 Ų1470.5 Ų70.58%0.07535%0.345CS..  trans-126.970.8-172.7-53.8-78.8000110.6I23 L25 L57 Q58 N63 V64I23-N61 PolarHBondContact O-ND2 3.36Å; L25-N61 HydrophobicContact CD1-CB 3.98Å; L25-N61 HydrophobicContact CG-CB 4.46Å; L25-N61 PolarHBondContact N-OD1 2.89Å; L57-N61 WeakPolarHBondContact O-CB 3.45Å; L57-N61 PolarHBondContact O-N 2.94Å; L57-N61 PolarHBondContact O-ND2 2.98Å; Q58-N61 CarbonylContact O-C 3.36Å; Q58-N61 PolarHBondContact O-N 2.93Å; N61-N63 PolarHBondContact O-N 2.84Å; N61-V64 HydrophobicContact CB-CB 4.28Å; N61-V64 HydrophobicContact CB-CG2 4.08Å; N61-V64 PolarHBondContact O-N 2.93Å
62P92.3Very high94.2Very high105 Ų10571 Ų7168%0.68235%0.35SS*.THydrogen-bonded Turntrans-65.8-23.5-174.326.9-35.6000113.6R60 V64R60-P62 WeakPolarHBondContact O-CD 3.45Å; P62-V64 VanDerWaalsContact C-N 3.33Å
63N92.8Very high94.3Very high156 Ų15671.9 Ų71.983%0.83436%0.357SS*.THydrogen-bonded Turntrans-83.4-9.4-178.4-61.9-18.6000113.3N61N61-N63 PolarHBondContact O-N 2.84Å
64V94.2Very high94.2Very high15 Ų1575.1 Ų75.19%0.09138%0.381CS..SBendtrans-96.7125.1-179-179.80000108.9L25 V29 I32 N61 P62 I66L25-V64 HydrophobicContact CD1-CB 4.16Å; L25-V64 HydrophobicContact CD1-CG1 3.96Å; L25-V64 HydrophobicContact CD1-CG2 3.86Å; V29-V64 HydrophobicContact CG1-CG1 4.22Å; V29-V64 WeakPolarHBondContact O-CG2 3.35Å; I32-V64 HydrophobicContact CD1-CG1 4.05Å; I32-V64 HydrophobicContact CG1-CG1 4.03Å; N61-V64 HydrophobicContact CB-CB 4.28Å; N61-V64 HydrophobicContact CB-CG2 4.08Å; N61-V64 PolarHBondContact O-N 2.93Å; P62-V64 VanDerWaalsContact C-N 3.33Å; V64-I66 HydrophobicContact CG1-CG1 4.39Å
65Q95.8Very high94.2Very high115 Ų11577.4 Ų77.454%0.53740%0.396SS..EExtended strand (participates in β ladder)trans-81.3125.4175.7-172.7177.4500109.7K30 I31 I32 I67K30-Q65 PolarHBondContact O-N 3.22Å; I31-Q65 CarbonylContact C-O 3.57Å; I31-Q65 WeakPolarHBondContact CA-O 3.42Å; I31-Q65 HydrophobicContact CG1-CB 4.47Å; I32-Q65 PolarHBondContact N-O 3.22Å; Q65-I67 HydrophobicContact CG-CD1 4.41Å; Q65-I67 HydrophobicContact CG-CG1 4.15Å
66I96.6Very high94.3Very high27 Ų2775.7 Ų75.714%0.13839%0.385CS..EExtended strand (participates in β ladder)trans-117125.1177.9-50162.6000109.4I32 I34 L54 L57 Q58 V64I32-I66 HydrophobicContact CB-CG1 4.36Å; I32-I66 HydrophobicContact CB-CG2 4.34Å; I32-I66 HydrophobicContact CG2-CG2 4.43Å; I32-I66 CarbonylContact O-C 3.59Å; I32-I66 WeakPolarHBondContact O-CA 3.45Å; I34-I66 HydrophobicContact CD1-CG2 4.03Å; L54-I66 HydrophobicContact CD1-CG2 3.63Å; L57-I66 HydrophobicContact CD2-CD1 3.4Å; L57-I66 HydrophobicContact CD2-CG1 4.36Å; Q58-I66 HydrophobicContact CB-CD1 3.83Å; Q58-I66 HydrophobicContact CG-CD1 4.14Å; V64-I66 HydrophobicContact CG1-CG1 4.39Å
67I96.5Very high94.4Very high54 Ų5476.4 Ų76.428%0.27739%0.387SS..EExtended strand (participates in β ladder)trans-121.5136.8-177.4-53.4175.4000108.4I31 I32 V33 I34 Q65 F69I31-I67 HydrophobicContact CG2-CD1 4.44Å; I32-I67 PolarHBondContact O-N 3.44Å; V33-I67 CarbonylContact C-O 3.56Å; V33-I67 WeakPolarHBondContact CA-O 3.33Å; I34-I67 PolarHBondContact N-O 3Å; Q65-I67 HydrophobicContact CG-CD1 4.41Å; Q65-I67 HydrophobicContact CG-CG1 4.15Å; I67-F69 HydrophobicContact CB-CE2 4.49Å; I67-F69 HydrophobicContact CG2-CD2 4.25Å; I67-F69 HydrophobicContact CG2-CE1 4.19Å; I67-F69 HydrophobicContact CG2-CE2 3.69Å; I67-F69 HydrophobicContact CG2-CZ 3.66Å
68T96.5Very high94.6Very high58 Ų5876 Ų7636%0.35639%0.386SS..EExtended strand (participates in β ladder)trans-115.4124.8175.758.10000109.6I34 L54I34-T68 HydrophobicContact CB-CG2 4.23Å; I34-T68 HydrophobicContact CD1-CG2 4.46Å; I34-T68 CarbonylContact O-C 3.58Å; I34-T68 VanDerWaalsContact O-CA 3.32Å; I34-T68 WeakPolarHBondContact O-CA 3.39Å; L54-T68 HydrophobicContact CD2-CG2 4.1Å
69F96.8Very high94.7Very high77 Ų7774 Ų7434%0.33838%0.375SS..EExtended strand (participates in β ladder)trans-108.7145.2169.2-57.7-80000110.3V33 I34 N35 H36 I67 M72V33-F69 HydrophobicContact CG1-CD2 3.5Å; V33-F69 VanDerWaalsContact CG1-CD2 3.5Å; V33-F69 HydrophobicContact CG1-CE2 3.49Å; V33-F69 VanDerWaalsContact CG1-CE2 3.49Å; I34-F69 PolarHBondContact O-N 2.95Å; N35-F69 VanDerWaalsContact OD1-CB 3.31Å; N35-F69 WeakPolarHBondContact OD1-CB 3.28Å; N35-F69 VanDerWaalsContact OD1-CD2 3.25Å; N35-F69 WeakPolarHBondContact OD1-CD2 3.47Å; H36-F69 PolarHBondContact N-O 3.38Å; H36-F69 VanDerWaalsContact N-O 3.15Å; H36-F69 PolarHBondContact ND1-O 3.27Å; I67-F69 HydrophobicContact CB-CE2 4.49Å; I67-F69 HydrophobicContact CG2-CD2 4.25Å; I67-F69 HydrophobicContact CG2-CE1 4.19Å; I67-F69 HydrophobicContact CG2-CE2 3.69Å; I67-F69 HydrophobicContact CG2-CZ 3.66Å; F69-M72 HydrophobicContact CB-SD 4.33Å; F69-M72 HydrophobicContact CD1-CE 4.39Å; F69-M72 HydrophobicContact CD1-SD 4.27Å; F69-M72 HydrophobicContact CG-SD 4.23Å
70K94.9Very high94.8Very high135 Ų13569.2 Ų69.259%0.58735%0.354SS*.EExtended strand (participates in β ladder)trans-116.4135.4-178.6-64.9177.9-178.4-179.30108.8H36 P38 M72H36-K70 VanDerWaalsContact CE1-CG 3.45Å; H36-K70 WeakPolarHBondContact CE1-CG 3.36Å; H36-K70 WeakPolarHBondContact O-CA 3.47Å; P38-K70 HydrophobicContact CG-CB 4.47Å; K70-M72 PolarHBondContact O-N 2.83Å; K70-M72 VanDerWaalsContact O-N 3.12Å
71N94.1Very high95Very high110 Ų11067.7 Ų67.759%0.58835%0.349SS*.SBendtrans57.624.3172-61.6-28.1000115.7H36 V37 P38H36-N71 PolarHBondContact O-N 3.25Å; V37-N71 WeakPolarHBondContact CG1-OD1 3.49Å; P38-N71 VanDerWaalsContact CD-OD1 3.3Å; P38-N71 WeakPolarHBondContact CD-OD1 3.37Å
72M93.9Very high95.1Very high125 Ų12568.8 Ų68.862%0.61635%0.354SS*.SBendtrans-81.5-38.7173.9-99.7-163.1173.400112.8F69 K70F69-M72 HydrophobicContact CB-SD 4.33Å; F69-M72 HydrophobicContact CD1-CE 4.39Å; F69-M72 HydrophobicContact CD1-SD 4.27Å; F69-M72 HydrophobicContact CG-SD 4.23Å; K70-M72 PolarHBondContact O-N 2.83Å; K70-M72 VanDerWaalsContact O-N 3.12Å
73F93.9Very high95Very high94 Ų9469.8 Ų69.841%0.41235%0.35SS..SBendtrans-126.8147.3-178.2-65.8-82.9000109.4N35 V37 T75 F77N35-F73 WeakPolarHBondContact ND2-CD2 3.34Å; V37-F73 WeakPolarHBondContact CG2-O 3.32Å; F73-T75 PolarHBondContact O-N 3.27Å; F73-F77 HydrophobicContact CB-CE1 3.95Å; F73-F77 HydrophobicContact CD1-CE1 4.22Å; F73-F77 AromaticContact CD2-CE1 3.54Å; F73-F77 HydrophobicContact CD2-CE1 3.54Å; F73-F77 AromaticContact CD2-CZ 3.64Å; F73-F77 HydrophobicContact CD2-CZ 3.64Å; F73-F77 HydrophobicContact CE2-CE1 4.08Å; F73-F77 AromaticContact CE2-CZ 3.74Å; F73-F77 HydrophobicContact CE2-CZ 3.74Å; F73-F77 AromaticContact CG-CE1 3.63Å; F73-F77 HydrophobicContact CG-CE1 3.63Å; F73-F77 HydrophobicContact CG-CZ 4.16Å; F73-F77 HydrophobicContact CZ-CZ 4.33Å
74P93.3Very high94.9Very high107 Ų10770.3 Ų70.370%0.69535%0.345SS*.SBendtrans-68.6-25.7178.627.8-34.5000112.5
75T94Very high94.6Very high73 Ų7377 Ų7745%0.44838%0.38SS..SBendtrans-108.5134.9179.749.40000111.4F73F73-T75 PolarHBondContact O-N 3.27Å
76P95.9Very high94.5Very high1 Ų176.4 Ų76.41%0.00638%0.378CS..  trans-78.4134.8179.132.2-35.2000111.4N35 I42 C46 N91 C92 A93N35-P76 WeakPolarHBondContact O-CA 3.37Å; N35-P76 WeakPolarHBondContact O-CB 3.35Å; I42-P76 HydrophobicContact CG2-CG 4.26Å; C46-P76 HydrophobicContact CB-CB 4.22Å; P76-N91 PolarHBondContact O-OD1 3.45Å; P76-C92 HydrophobicContact CB-CB 4.36Å; P76-C92 HydrophobicContact CG-CB 4.45Å; P76-C92 PolarHBondContact O-N 2.91Å; P76-C92 VanDerWaalsContact O-N 3.08Å; P76-A93 HydrophobicContact CG-CB 4.34Å
77F96.5Very high94.4Very high22 Ų2280.5 Ų80.510%0.09640%0.396CS..EExtended strand (participates in β ladder)trans-150.5158.9176.164.7-98.9000111.5N35 F73 K79 V89 V90N35-F77 HydrophobicContact CB-CD1 4.41Å; N35-F77 HydrophobicContact CB-CE1 4.28Å; N35-F77 HydrophobicContact CB-CE2 4.34Å; N35-F77 HydrophobicContact CB-CZ 4.28Å; N35-F77 PolarHBondContact N-O 3Å; N35-F77 WeakPolarHBondContact ND2-CE2 3.48Å; N35-F77 WeakPolarHBondContact ND2-CZ 3.43Å; N35-F77 PolarHBondContact O-N 3.45Å; N35-F77 VanDerWaalsContact O-N 3.11Å; F73-F77 HydrophobicContact CB-CE1 3.95Å; F73-F77 HydrophobicContact CD1-CE1 4.22Å; F73-F77 AromaticContact CD2-CE1 3.54Å; F73-F77 HydrophobicContact CD2-CE1 3.54Å; F73-F77 AromaticContact CD2-CZ 3.64Å; F73-F77 HydrophobicContact CD2-CZ 3.64Å; F73-F77 HydrophobicContact CE2-CE1 4.08Å; F73-F77 AromaticContact CE2-CZ 3.74Å; F73-F77 HydrophobicContact CE2-CZ 3.74Å; F73-F77 AromaticContact CG-CE1 3.63Å; F73-F77 HydrophobicContact CG-CE1 3.63Å; F73-F77 HydrophobicContact CG-CZ 4.16Å; F73-F77 HydrophobicContact CZ-CZ 4.33Å; F77-K79 HydrophobicContact CD2-CD 4.37Å; F77-K79 HydrophobicContact CD2-CG 3.83Å; F77-K79 HydrophobicContact CE2-CB 4.36Å; F77-K79 HydrophobicContact CE2-CD 3.62Å; F77-K79 HydrophobicContact CE2-CG 3.59Å; F77-K79 HydrophobicContact CZ-CD 4.46Å; F77-V89 HydrophobicContact CB-CG1 4.29Å; F77-V89 HydrophobicContact CD2-CG1 4.15Å; F77-V89 HydrophobicContact CG-CG1 4.4Å; F77-V90 CarbonylContact C-O 3.59Å; F77-V90 VanDerWaalsContact CA-O 3.31Å; F77-V90 WeakPolarHBondContact CA-O 3.44Å; F77-V90 WeakPolarHBondContact CB-O 3.37Å
78I96.5Very high94.3Very high1 Ų181.1 Ų81.11%0.00540%0.398CS..EExtended strand (participates in β ladder)trans-113.1122.1173.7-59.3173.3000107.8I32 V33 I34 F49 I80 V89 V90 I100 L104I32-I78 HydrophobicContact CG2-CG2 3.7Å; V33-I78 CarbonylContact O-C 3.58Å; V33-I78 WeakPolarHBondContact O-CA 3.39Å; I34-I78 HydrophobicContact CG1-CG1 4.21Å; I34-I78 HydrophobicContact CG1-CG2 4.33Å; I34-I78 HydrophobicContact CG2-CG1 4.21Å; F49-I78 HydrophobicContact CE1-CD1 4.29Å; I78-I80 HydrophobicContact CG2-CD1 4.46Å; I78-I80 HydrophobicContact CG2-CG1 4.15Å; I78-V89 WeakPolarHBondContact O-CA 3.44Å; I78-V90 HydrophobicContact CB-CB 4.35Å; I78-V90 PolarHBondContact N-O 2.86Å; I78-V90 PolarHBondContact O-N 3.5Å; I78-I100 HydrophobicContact CD1-CG2 3.94Å; I78-L104 HydrophobicContact CD1-CD1 4.03Å
79K96.4Very high94.2Very high59 Ų5982.7 Ų82.726%0.25741%0.407SS..EExtended strand (participates in β ladder)trans-100.6133.3171.6-90.2-176.8-174.7-165.60109.7I32 V33 F77 Y81 Q88 V89I32-K79 CarbonylContact C-O 3.6Å; I32-K79 WeakPolarHBondContact CA-O 3.31Å; V33-K79 HydrophobicContact CB-CB 4.13Å; V33-K79 PolarHBondContact N-O 3.28Å; V33-K79 PolarHBondContact O-N 3.49Å; F77-K79 HydrophobicContact CD2-CD 4.37Å; F77-K79 HydrophobicContact CD2-CG 3.83Å; F77-K79 HydrophobicContact CE2-CB 4.36Å; F77-K79 HydrophobicContact CE2-CD 3.62Å; F77-K79 HydrophobicContact CE2-CG 3.59Å; F77-K79 HydrophobicContact CZ-CD 4.46Å; K79-Y81 HydrophobicContact CB-CE2 4.29Å; K79-Q88 CarbonylContact C-O 3.54Å; K79-Q88 WeakPolarHBondContact CA-O 3.22Å; K79-V89 HydrophobicContact CG-CG1 4.3Å; K79-V89 HydrophobicContact CG-CG2 4.01Å
80I96.3Very high94.1Very high1 Ų179.5 Ų79.51%0.00539%0.394CS..EExtended strand (participates in β ladder)trans-122.8127.4-179-58.8142.9000107.6V29 I32 I78 L82 E87 Q88 V90 L104 L108V29-I80 HydrophobicContact CG1-CG2 3.78Å; V29-I80 HydrophobicContact CG2-CG2 4.41Å; I32-I80 HydrophobicContact CG1-CG1 4.43Å; I78-I80 HydrophobicContact CG2-CD1 4.46Å; I78-I80 HydrophobicContact CG2-CG1 4.15Å; I80-L82 HydrophobicContact CG2-CD1 4.12Å; I80-E87 WeakPolarHBondContact O-CA 3.44Å; I80-Q88 HydrophobicContact CB-CB 4.38Å; I80-Q88 HydrophobicContact CD1-CB 4.42Å; I80-Q88 PolarHBondContact N-O 3.01Å; I80-Q88 PolarHBondContact O-N 3Å; I80-V90 HydrophobicContact CD1-CG2 4.03Å; I80-L104 HydrophobicContact CD1-CD2 4.21Å; I80-L108 HydrophobicContact CD1-CD1 3.71Å; I80-L108 HydrophobicContact CD1-CD2 4.15Å; I80-L108 HydrophobicContact CD1-CG 4.25Å; I80-L108 HydrophobicContact CG1-CD1 4.07Å; I80-L108 HydrophobicContact CG2-CD1 4.29Å; I80-L108 HydrophobicContact CG2-CD2 4.04Å
81Y96.3Very high94.1Very high73 Ų7378.2 Ų78.229%0.28639%0.393SS..EExtended strand (participates in β ladder)trans-106.3123176.3-62.2-89.6000109.5K30 I31 V33 K79 E87K30-Y81 PolarHBondContact N-O 2.9Å; I31-Y81 HydrophobicContact CB-CD2 3.94Å; I31-Y81 HydrophobicContact CB-CG 4.36Å; I31-Y81 HydrophobicContact CG2-CD2 4.13Å; I31-Y81 PolarHBondContact N-O 3.08Å; I31-Y81 PolarHBondContact O-N 3.48Å; V33-Y81 HydrophobicContact CB-CE2 4.47Å; V33-Y81 HydrophobicContact CG2-CD2 4.34Å; V33-Y81 HydrophobicContact CG2-CE2 3.78Å; K79-Y81 HydrophobicContact CB-CE2 4.29Å; Y81-E87 HydrophobicContact CD1-CG 3.78Å; Y81-E87 VanDerWaalsContact CE1-CD 3.49Å; Y81-E87 HydrophobicContact CE1-CG 3.81Å; Y81-E87 VanDerWaalsContact CE1-OE1 3.28Å; Y81-E87 WeakPolarHBondContact CE1-OE1 3.31Å
82L94Very high94.1Very high36 Ų3673 Ų7319%0.18837%0.365CS..EExtended strand (participates in β ladder)trans-99.7163.7177-64.388.4000111.1G28 I80 K84 N85 E86 Q88G28-L82 CarbonylContact O-C 3.4Å; G28-L82 WeakPolarHBondContact O-CA 2.77Å; I80-L82 HydrophobicContact CG2-CD1 4.12Å; L82-K84 PolarHBondContact O-N 3.26Å; L82-K84 VanDerWaalsContact O-N 3.14Å; L82-N85 PolarHBondContact O-N 3.18Å; L82-E86 HydrophobicContact CB-CB 4.2Å; L82-E86 HydrophobicContact CD1-CB 4.39Å; L82-E86 WeakPolarHBondContact CD1-O 3.44Å; L82-E86 PolarHBondContact N-O 2.96Å; L82-Q88 HydrophobicContact CD1-CG 4.1Å
83E91Very high94.2Very high126 Ų12668 Ų6859%0.58934%0.344SS*.THydrogen-bonded Turntrans-60.3-24.5-175.2-167.1161.6-13000114.1G28 K30 N85G28-E83 PolarHBondContact O-N 3.29Å; K30-E83 VanDerWaalsContact CE-CD 3.48Å; K30-E83 WeakPolarHBondContact CE-OE1 3.42Å; K30-E83 IonicContact NZ-OE1 2.7Å; K30-E83 PolarHBondContact NZ-OE1 3.16Å; K30-E83 IonicContact NZ-OE2 2.73Å; E83-N85 VanDerWaalsContact C-N 3.3Å; E83-N85 PolarHBondContact O-N 3.39Å
84K90.8Very high94.2Very high168 Ų16871 Ų7173%0.7336%0.357SS*.THydrogen-bonded Turntrans-91.623.7-180-63.5-174.5-179.6179.30113.9L82 E86L82-K84 PolarHBondContact O-N 3.26Å; L82-K84 VanDerWaalsContact O-N 3.14Å; K84-E86 HydrophobicContact CB-CG 4.15Å; K84-E86 PolarHBondContact O-N 2.91Å; K84-E86 VanDerWaalsContact O-N 3.11Å
85N86.6Confident94.3Very high156 Ų15672.8 Ų72.883%0.83435%0.35SS*.SBendtrans54.223.7-169.4-60.7-31.5000113L82 E83L82-N85 PolarHBondContact O-N 3.18Å; E83-N85 VanDerWaalsContact C-N 3.3Å; E83-N85 PolarHBondContact O-N 3.39Å
86E92.9Very high94.3Very high102 Ų10276.1 Ų76.148%0.47736%0.358SS..  trans-82.9134.9173-70173.4-16900108.5L82 K84L82-E86 HydrophobicContact CB-CB 4.2Å; L82-E86 HydrophobicContact CD1-CB 4.39Å; L82-E86 WeakPolarHBondContact CD1-O 3.44Å; L82-E86 PolarHBondContact N-O 2.96Å; K84-E86 HydrophobicContact CB-CG 4.15Å; K84-E86 PolarHBondContact O-N 2.91Å; K84-E86 VanDerWaalsContact O-N 3.11Å
87E95Very high94.2Very high113 Ų11378 Ų7853%0.52837%0.368SS..EExtended strand (participates in β ladder)trans-114.2135.2178.4-62-173.6-170.800109.7I80 Y81I80-E87 WeakPolarHBondContact O-CA 3.44Å; Y81-E87 HydrophobicContact CD1-CG 3.78Å; Y81-E87 VanDerWaalsContact CE1-CD 3.49Å; Y81-E87 HydrophobicContact CE1-CG 3.81Å; Y81-E87 VanDerWaalsContact CE1-OE1 3.28Å; Y81-E87 WeakPolarHBondContact CE1-OE1 3.31Å
88Q94.1Very high94.1Very high67 Ų6779.1 Ų79.131%0.31338%0.379SS..EExtended strand (participates in β ladder)trans-120.3136.1169.7-66.2-1744.500109.8K79 I80 L82K79-Q88 CarbonylContact C-O 3.54Å; K79-Q88 WeakPolarHBondContact CA-O 3.22Å; I80-Q88 HydrophobicContact CB-CB 4.38Å; I80-Q88 HydrophobicContact CD1-CB 4.42Å; I80-Q88 PolarHBondContact N-O 3.01Å; I80-Q88 PolarHBondContact O-N 3Å; L82-Q88 HydrophobicContact CD1-CG 4.1Å
89V95.1Very high94Very high91 Ų9182.4 Ų82.455%0.55240%0.397SS*.EExtended strand (participates in β ladder)trans-117.5121.8178.7-168.80000109F77 I78 K79F77-V89 HydrophobicContact CB-CG1 4.29Å; F77-V89 HydrophobicContact CD2-CG1 4.15Å; F77-V89 HydrophobicContact CG-CG1 4.4Å; I78-V89 WeakPolarHBondContact O-CA 3.44Å; K79-V89 HydrophobicContact CG-CG1 4.3Å; K79-V89 HydrophobicContact CG-CG2 4.01Å
90V95.5Very high94Very high9 Ų979.9 Ų79.96%0.05539%0.386CS..EExtended strand (participates in β ladder)trans-108.1120.2176.3-178.70000108.6F77 I78 I80 H103 L104 L107F77-V90 CarbonylContact C-O 3.59Å; F77-V90 VanDerWaalsContact CA-O 3.31Å; F77-V90 WeakPolarHBondContact CA-O 3.44Å; F77-V90 WeakPolarHBondContact CB-O 3.37Å; I78-V90 HydrophobicContact CB-CB 4.35Å; I78-V90 PolarHBondContact N-O 2.86Å; I78-V90 PolarHBondContact O-N 3.5Å; I80-V90 HydrophobicContact CD1-CG2 4.03Å; V90-H103 WeakPolarHBondContact CG1-ND1 3.18Å; V90-L104 HydrophobicContact CG2-CD2 4.43Å; V90-L107 HydrophobicContact CG2-CD1 3.52Å
91N94.9Very high93.8Very high108 Ų10880.7 Ų80.758%0.57839%0.389SS*.EExtended strand (participates in β ladder)trans-77.8128.7174.9-174.11.1000110.3P76 A93P76-N91 PolarHBondContact O-OD1 3.45Å; N91-A93 WeakPolarHBondContact OD1-CB 3.47Å; N91-A93 PolarHBondContact OD1-N 3.15Å
92C94.3Very high93.7Very high0 Ų080.9 Ų80.90%040%0.395CS..  trans-111.64.9-179.1-62.80000113.5C46 P76 F94 R95 I100C46-C92 HydrophobicContact CB-CB 4.4Å; P76-C92 HydrophobicContact CB-CB 4.36Å; P76-C92 HydrophobicContact CG-CB 4.45Å; P76-C92 PolarHBondContact O-N 2.91Å; P76-C92 VanDerWaalsContact O-N 3.08Å; C92-F94 PolarHBondContact O-N 2.8Å; C92-R95 PolarHBondContact O-N 3.4Å; C92-I100 HydrophobicContact CB-CD1 3.91Å; C92-I100 HydrophobicContact CB-CG1 4.38Å
93A94.4Very high93.7Very high21 Ų2183.4 Ų83.417%0.17441%0.406CS..THydrogen-bonded Turntrans-62.8129.8-178.500000111.9I42 P76 N91 R95I42-A93 HydrophobicContact CG2-CB 3.76Å; P76-A93 HydrophobicContact CG-CB 4.34Å; N91-A93 WeakPolarHBondContact OD1-CB 3.47Å; N91-A93 PolarHBondContact OD1-N 3.15Å; A93-R95 PolarHBondContact O-N 3.21Å; A93-R95 VanDerWaalsContact O-N 3.1Å
94F94.1Very high93.8Very high156 Ų15677.8 Ų77.868%0.68438%0.38SS*.THydrogen-bonded Turntrans55.821.4179.4-56.9-77.5000115.2I42 C92I42-F94 HydrophobicContact CB-CE1 4.43Å; I42-F94 HydrophobicContact CB-CZ 4.29Å; I42-F94 HydrophobicContact CD1-CZ 4.22Å; I42-F94 HydrophobicContact CG1-CE1 3.95Å; I42-F94 HydrophobicContact CG1-CE2 4.16Å; I42-F94 HydrophobicContact CG1-CZ 3.61Å; I42-F94 HydrophobicContact CG2-CD2 4.22Å; I42-F94 HydrophobicContact CG2-CE2 4Å; I42-F94 HydrophobicContact CG2-CZ 4.27Å; I42-F94 PolarHBondContact O-N 3.41Å; C92-F94 PolarHBondContact O-N 2.8Å
95R94.8Very high93.8Very high146 Ų14672.4 Ų72.455%0.55136%0.358SS*.  trans-94.1148.5175.9-65.7-70.1-174.8167.3-0110.6G45 C92 A93 I100G45-R95 WeakPolarHBondContact CA-O 3.43Å; C92-R95 PolarHBondContact O-N 3.4Å; A93-R95 PolarHBondContact O-N 3.21Å; A93-R95 VanDerWaalsContact O-N 3.1Å; R95-I100 HydrophobicContact CB-CD1 4.02Å; R95-I100 HydrophobicContact CB-CG1 3.7Å
96K95.5Very high94Very high142 Ų14270.7 Ų70.762%0.61735%0.354SS*.  trans-75.4156.5168.6-65.7178.3-179.5175.60110.3S98 D99 I100K96-S98 VanDerWaalsContact C-N 3.31Å; K96-S98 PolarHBondContact O-N 3.48Å; K96-D99 PolarHBondContact O-N 2.99Å; K96-I100 WeakPolarHBondContact O-CG1 3.43Å; K96-I100 PolarHBondContact O-N 2.79Å; K96-I100 VanDerWaalsContact O-N 3.16Å
97N93.9Very high93.9Very high40 Ų4069.1 Ų69.121%0.21435%0.348CS..Hα-helixtrans-59.3-39.8178.568.8-40000112.9E48 F49 H53 D99 I100 Y101E48-N97 HydrophobicContact CB-CB 3.92Å; F49-N97 HydrophobicContact CB-CB 4.42Å; H53-N97 PolarHBondContact NE2-ND2 3.46Å; N97-D99 VanDerWaalsContact C-N 3.35Å; N97-I100 PolarHBondContact O-N 3.14Å; N97-Y101 WeakPolarHBondContact O-CB 3.41Å; N97-Y101 PolarHBondContact O-N 3.11Å
98S93.9Very high93.6Very high47 Ų4764 Ų6433%0.32932%0.324SS..Hα-helixtrans-59-45.9176.151.60000111.6K96 I100 Y101 D102K96-S98 VanDerWaalsContact C-N 3.31Å; K96-S98 PolarHBondContact O-N 3.48Å; S98-I100 PolarHBondContact O-N 3.02Å; S98-Y101 WeakPolarHBondContact O-CB 3.08Å; S98-Y101 PolarHBondContact O-N 2.92Å; S98-Y101 VanDerWaalsContact O-N 3.15Å; S98-D102 PolarHBondContact O-N 2.91Å
99D95.2Very high93.1Very high70 Ų7061.7 Ų61.737%0.37432%0.318SS..Hα-helixtrans-68.8-39-175-53.6-8.1000110.6K96 N97 Y101 H103K96-D99 PolarHBondContact O-N 2.99Å; N97-D99 VanDerWaalsContact C-N 3.35Å; D99-Y101 VanDerWaalsContact C-N 3.32Å; D99-H103 WeakPolarHBondContact O-CB 3.11Å; D99-H103 PolarHBondContact O-N 3.3Å
100I95.3Very high92.4Very high5 Ų561.3 Ų61.33%0.02631%0.31CS..Hα-helixtrans-62-44.3173.4-62.8166.2000109.8F49 I78 C92 R95 K96 N97 S98 H103 L104F49-I100 HydrophobicContact CD2-CB 4.31Å; F49-I100 HydrophobicContact CD2-CG2 3.86Å; F49-I100 HydrophobicContact CE2-CG2 4.09Å; F49-I100 HydrophobicContact CG-CG2 4.17Å; I78-I100 HydrophobicContact CD1-CG2 3.94Å; C92-I100 HydrophobicContact CB-CD1 3.91Å; C92-I100 HydrophobicContact CB-CG1 4.38Å; R95-I100 HydrophobicContact CB-CD1 4.02Å; R95-I100 HydrophobicContact CB-CG1 3.7Å; K96-I100 WeakPolarHBondContact O-CG1 3.43Å; K96-I100 PolarHBondContact O-N 2.79Å; K96-I100 VanDerWaalsContact O-N 3.16Å; N97-I100 PolarHBondContact O-N 3.14Å; S98-I100 PolarHBondContact O-N 3.02Å; I100-H103 PolarHBondContact O-N 2.94Å; I100-L104 HydrophobicContact CG2-CD1 4.17Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.15Å; I100-L104 PolarHBondContact O-N 3.48Å
101Y93.2Very high91.2Very high19 Ų1965.9 Ų65.98%0.07534%0.339CS..Hα-helixtrans-64.7-47-178.8-174.7-98.1000112.1R22 I23 F49 H53 N97 S98 D99 L104 I105R22-Y101 WeakPolarHBondContact CB-OH 3.5Å; R22-Y101 PolarHBondContact N-OH 3.35Å; I23-Y101 HydrophobicContact CD1-CD2 3.54Å; I23-Y101 HydrophobicContact CD1-CE1 4.3Å; I23-Y101 HydrophobicContact CD1-CE2 3.24Å; I23-Y101 HydrophobicContact CD1-CG 4.19Å; I23-Y101 HydrophobicContact CG1-CE1 4.42Å; I23-Y101 HydrophobicContact CG1-CE2 3.87Å; I23-Y101 PolarHBondContact N-OH 3.32Å; F49-Y101 HydrophobicContact CE2-CD2 4.02Å; H53-Y101 HydrophobicContact CB-CD2 3.77Å; H53-Y101 HydrophobicContact CB-CE2 4.14Å; H53-Y101 AromaticContact CG-CD2 3.53Å; H53-Y101 AromaticContact ND1-CD2 3.44Å; H53-Y101 WeakPolarHBondContact ND1-CD2 3.15Å; H53-Y101 AromaticContact ND1-CE2 3.63Å; H53-Y101 AromaticContact ND1-CG 3.97Å; N97-Y101 WeakPolarHBondContact O-CB 3.41Å; N97-Y101 PolarHBondContact O-N 3.11Å; S98-Y101 WeakPolarHBondContact O-CB 3.08Å; S98-Y101 PolarHBondContact O-N 2.92Å; S98-Y101 VanDerWaalsContact O-N 3.15Å; D99-Y101 VanDerWaalsContact C-N 3.32Å; Y101-L104 PolarHBondContact O-N 3.36Å; Y101-I105 HydrophobicContact CD1-CD1 3.68Å; Y101-I105 HydrophobicContact CD1-CG1 4.5Å; Y101-I105 HydrophobicContact CE1-CD1 3.41Å; Y101-I105 VanDerWaalsContact CE1-CD1 3.41Å; Y101-I105 HydrophobicContact CE1-CG1 4.27Å; Y101-I105 WeakPolarHBondContact O-CG1 3.5Å; Y101-I105 PolarHBondContact O-N 2.87Å
102D93.1Very high89.8Confident76 Ų7664.9 Ų64.941%0.40635%0.346SS..Hα-helixtrans-67.8-35.8178.8-67.7-23.8000111.9S98 I105 T106S98-D102 PolarHBondContact O-N 2.91Å; D102-I105 WeakPolarHBondContact O-CB 3.45Å; D102-I105 PolarHBondContact O-N 3.45Å; D102-T106 PolarHBondContact O-N 3.17Å; D102-T106 PolarHBondContact O-OG1 2.69Å
103H93.9Very high88Confident90 Ų9068.6 Ų68.642%0.41737%0.37SS..Hα-helixtrans-63.4-42.5173-170.7-98.3000111.9V90 D99 I100 T106 L107V90-H103 WeakPolarHBondContact CG1-ND1 3.18Å; D99-H103 WeakPolarHBondContact O-CB 3.11Å; D99-H103 PolarHBondContact O-N 3.3Å; I100-H103 PolarHBondContact O-N 2.94Å; H103-T106 PolarHBondContact O-N 3.5Å; H103-L107 WeakPolarHBondContact CE1-CD1 3.49Å; H103-L107 WeakPolarHBondContact O-CG 3.44Å; H103-L107 PolarHBondContact O-N 3.46Å
104L93.3Very high85.9Confident8 Ų871.1 Ų71.14%0.04239%0.386CS..Hα-helixtrans-66-36.6175.7-72.1173000112.7I23 F49 I78 I80 V90 I100 Y101 T106 L107 L108I23-L104 HydrophobicContact CD1-CB 4.28Å; F49-L104 HydrophobicContact CE1-CD1 4.28Å; F49-L104 HydrophobicContact CE2-CD1 3.74Å; F49-L104 HydrophobicContact CZ-CD1 3.4Å; F49-L104 VanDerWaalsContact CZ-CD1 3.4Å; I78-L104 HydrophobicContact CD1-CD1 4.03Å; I80-L104 HydrophobicContact CD1-CD2 4.21Å; V90-L104 HydrophobicContact CG2-CD2 4.43Å; I100-L104 HydrophobicContact CG2-CD1 4.17Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.15Å; I100-L104 PolarHBondContact O-N 3.48Å; Y101-L104 PolarHBondContact O-N 3.36Å; L104-T106 VanDerWaalsContact C-N 3.26Å; L104-T106 PolarHBondContact O-N 3.34Å; L104-L107 PolarHBondContact O-N 3.47Å; L104-L108 HydrophobicContact CD2-CD1 4.1Å; L104-L108 WeakPolarHBondContact O-CB 3.47Å; L104-L108 PolarHBondContact O-N 2.78Å
105I91Very high84Confident55 Ų5571.4 Ų71.428%0.28239%0.39SS..Hα-helixtrans-57.7-45.2171-70.2163.6000110I23 Y101 D102 L107 G109I23-I105 HydrophobicContact CD1-CG1 3.78Å; I23-I105 HydrophobicContact CG1-CB 4.44Å; I23-I105 HydrophobicContact CG1-CD1 4.12Å; I23-I105 HydrophobicContact CG1-CG1 3.27Å; Y101-I105 HydrophobicContact CD1-CD1 3.68Å; Y101-I105 HydrophobicContact CD1-CG1 4.5Å; Y101-I105 HydrophobicContact CE1-CD1 3.41Å; Y101-I105 VanDerWaalsContact CE1-CD1 3.41Å; Y101-I105 HydrophobicContact CE1-CG1 4.27Å; Y101-I105 WeakPolarHBondContact O-CG1 3.5Å; Y101-I105 PolarHBondContact O-N 2.87Å; D102-I105 WeakPolarHBondContact O-CB 3.45Å; D102-I105 PolarHBondContact O-N 3.45Å; I105-L107 PolarHBondContact O-N 3.03Å; I105-G109 WeakPolarHBondContact O-CA 3.5Å; I105-G109 PolarHBondContact O-N 3.11Å
106T90.9Very high82Confident120 Ų12067.4 Ų67.474%0.73638%0.384SS*.Hα-helixtrans-68.8-37-174.8-49.70000111.8D102 H103 L104D102-T106 PolarHBondContact O-N 3.17Å; D102-T106 PolarHBondContact O-OG1 2.69Å; H103-T106 PolarHBondContact O-N 3.5Å; L104-T106 VanDerWaalsContact C-N 3.26Å; L104-T106 PolarHBondContact O-N 3.34Å
107L90Very high80.2Confident69 Ų6962.9 Ų62.936%0.36137%0.371SS..Hα-helixtrans-80.1-44.5-179.9-69.7-178000114.1V90 H103 L104 I105V90-L107 HydrophobicContact CG2-CD1 3.52Å; H103-L107 WeakPolarHBondContact CE1-CD1 3.49Å; H103-L107 WeakPolarHBondContact O-CG 3.44Å; H103-L107 PolarHBondContact O-N 3.46Å; L104-L107 PolarHBondContact O-N 3.47Å; I105-L107 PolarHBondContact O-N 3.03Å
108L88.8Confident78.6Confident4 Ų466 Ų662%0.02139%0.386CS..Hα-helixtrans-115.4-12.3-166.8-54.9178.4000113.6L25 N26 V29 I80 L104 K110L25-L108 HydrophobicContact CD2-CB 3.62Å; L25-L108 HydrophobicContact CD2-CD1 3.73Å; L25-L108 HydrophobicContact CD2-CG 4.35Å; N26-L108 PolarHBondContact N-O 3.16Å; V29-L108 HydrophobicContact CG2-CD2 3.89Å; I80-L108 HydrophobicContact CD1-CD1 3.71Å; I80-L108 HydrophobicContact CD1-CD2 4.15Å; I80-L108 HydrophobicContact CD1-CG 4.25Å; I80-L108 HydrophobicContact CG1-CD1 4.07Å; I80-L108 HydrophobicContact CG2-CD1 4.29Å; I80-L108 HydrophobicContact CG2-CD2 4.04Å; L104-L108 HydrophobicContact CD2-CD1 4.1Å; L104-L108 WeakPolarHBondContact O-CB 3.47Å; L104-L108 PolarHBondContact O-N 2.78Å; L108-K110 PolarHBondContact O-N 3.01Å
109G83.2Confident77Confident19 Ų1967 Ų6720%0.19639%0.391CS..BIsolated β-bridgetrans-61.6129.9-177.100000110.3I105I105-G109 WeakPolarHBondContact O-CA 3.5Å; I105-G109 PolarHBondContact O-N 3.11Å
110K82.2Confident75.4Confident84 Ų8468.7 Ų68.737%0.36540%0.4SS..PPolyproline II helixtrans-53.5134161.3-78.3178.3170.3174.90107.7L24 L25 N26 D27 L108 A112L24-K110 HydrophobicContact CB-CD 4.38Å; L24-K110 PolarHBondContact O-N 3.34Å; L25-K110 WeakPolarHBondContact O-CE 3.42Å; N26-K110 VanDerWaalsContact OD1-CA 3.27Å; N26-K110 WeakPolarHBondContact OD1-CA 3.16Å; N26-K110 WeakPolarHBondContact OD1-CG 3.27Å; N26-K110 PolarHBondContact OD1-N 3.08Å; D27-K110 WeakPolarHBondContact OD1-CE 3.41Å; D27-K110 IonicContact OD1-NZ 2.8Å; D27-K110 PolarHBondContact OD1-NZ 3.49Å; D27-K110 WeakPolarHBondContact OD2-CE 3.24Å; D27-K110 IonicContact OD2-NZ 3.72Å; D27-K110 PolarHBondContact OD2-NZ 3.4Å; D27-K110 VanDerWaalsContact OD2-NZ 3.08Å; L108-K110 PolarHBondContact O-N 3.01Å; K110-A112 PolarHBondContact O-N 2.7Å
111P69.4Low73.8Confident104 Ų10474.4 Ų74.468%0.67543%0.431SS*.SBendtrans-51.8143.1168.124.4-32.5000107.7
112A64.8Low72.5Confident87 Ų8779.9 Ų79.972%0.71946%0.46SS*.SBendtrans-36131.5-174.900000110K110 S114K110-A112 PolarHBondContact O-N 2.7Å; A112-S114 PolarHBondContact O-N 3.42Å
113P57.2Low70.9Confident78 Ų7881 Ų8151%0.50647%0.47SS..  trans-46.4107.2-164.418.3-31.5000107.6E115 S117 L118P113-E115 PolarHBondContact O-N 3.34Å; P113-E115 VanDerWaalsContact O-N 3.14Å; P113-S117 WeakPolarHBondContact CB-OG 3.48Å; P113-L118 HydrophobicContact CG-CD1 4.46Å
114S50.2Low69.5Low74 Ų7481.9 Ų81.952%0.51748%0.482SS..  trans-53.2130.9177.242.60000104.5A112 S116 S117A112-S114 PolarHBondContact O-N 3.42Å; S114-S116 CarbonylContact O-C 3.58Å; S114-S116 PolarHBondContact O-N 3.28Å; S114-S116 PolarHBondContact O-OG 3.01Å; S114-S116 PolarHBondContact OG-OG 2.76Å; S114-S117 PolarHBondContact O-N 3.14Å; S114-S117 PolarHBondContact O-OG 3.31Å
115E53.4Low68.5Low163 Ų16388 Ų8876%0.76251%0.508SS*.Hα-helixtrans-44.9-34.6-169.1-64.9177.3160.700110.4P113 S117 L118 V119P113-E115 PolarHBondContact O-N 3.34Å; P113-E115 VanDerWaalsContact O-N 3.14Å; E115-S117 VanDerWaalsContact C-N 3.32Å; E115-S117 PolarHBondContact O-N 2.8Å; E115-S117 VanDerWaalsContact O-N 3.16Å; E115-L118 WeakPolarHBondContact O-CB 3.47Å; E115-L118 PolarHBondContact O-N 3.27Å; E115-V119 HydrophobicContact CB-CG2 4.39Å; E115-V119 WeakPolarHBondContact O-CG2 3.35Å; E115-V119 PolarHBondContact O-N 3.15Å
116S53.9Low68Low61 Ų6189.1 Ų89.143%0.42752%0.515SS..Hα-helixtrans-38.5-46.8169.562.10000115.9S114 V119 N120S114-S116 CarbonylContact O-C 3.58Å; S114-S116 PolarHBondContact O-N 3.28Å; S114-S116 PolarHBondContact O-OG 3.01Å; S114-S116 PolarHBondContact OG-OG 2.76Å; S116-V119 PolarHBondContact O-N 3.03Å; S116-N120 WeakPolarHBondContact O-CB 3.46Å; S116-N120 PolarHBondContact O-N 2.95Å; S116-N120 PolarHBondContact O-ND2 3.41Å; S116-N120 PolarHBondContact O-OD1 3.13Å
117S57.8Low67.7Low48 Ų4888.2 Ų88.234%0.33651%0.511SS..Hα-helixtrans-68-38.3-179.261.40000112.9P113 S114 E115 N121P113-S117 WeakPolarHBondContact CB-OG 3.48Å; S114-S117 PolarHBondContact O-N 3.14Å; S114-S117 PolarHBondContact O-OG 3.31Å; E115-S117 VanDerWaalsContact C-N 3.32Å; E115-S117 PolarHBondContact O-N 2.8Å; E115-S117 VanDerWaalsContact O-N 3.16Å; S117-N121 PolarHBondContact O-ND2 3.49Å
118L59Low67.4Low104 Ų10489 Ų8955%0.54552%0.522SS..Hα-helixtrans-70.6-41.9172.6-81158.1000110.5P113 E115 N120 N121 L122P113-L118 HydrophobicContact CG-CD1 4.46Å; E115-L118 WeakPolarHBondContact O-CB 3.47Å; E115-L118 PolarHBondContact O-N 3.27Å; L118-N120 VanDerWaalsContact C-N 3.33Å; L118-N120 PolarHBondContact O-N 3.2Å; L118-N121 PolarHBondContact O-N 3.33Å; L118-L122 WeakPolarHBondContact O-CG 3.29Å; L118-L122 PolarHBondContact O-N 3.14Å
119V61.5Low67.3Low70 Ų7090.8 Ų90.842%0.42454%0.535SS..Hα-helixtrans-64.3-38.7-180-145.80000111.1E115 S116 N121 L122 T123E115-V119 HydrophobicContact CB-CG2 4.39Å; E115-V119 WeakPolarHBondContact O-CG2 3.35Å; E115-V119 PolarHBondContact O-N 3.15Å; S116-V119 PolarHBondContact O-N 3.03Å; V119-N121 VanDerWaalsContact C-N 3.33Å; V119-N121 PolarHBondContact O-N 2.8Å; V119-L122 PolarHBondContact O-N 3.21Å; V119-L122 VanDerWaalsContact O-N 3.14Å; V119-T123 WeakPolarHBondContact O-CB 3.48Å; V119-T123 PolarHBondContact O-N 3.35Å; V119-T123 PolarHBondContact O-OG1 3.2Å
120N61.1Low67.7Low105 Ų10594 Ų9456%0.56154%0.543SS*.Hα-helixtrans-60.5-42.1179.5-71.6-14.7000112.3S116 L118 L122 T123 T124S116-N120 WeakPolarHBondContact O-CB 3.46Å; S116-N120 PolarHBondContact O-N 2.95Å; S116-N120 PolarHBondContact O-ND2 3.41Å; S116-N120 PolarHBondContact O-OD1 3.13Å; L118-N120 VanDerWaalsContact C-N 3.33Å; L118-N120 PolarHBondContact O-N 3.2Å; N120-L122 VanDerWaalsContact C-N 3.34Å; N120-L122 PolarHBondContact O-N 3.37Å; N120-T123 PolarHBondContact O-N 2.63Å; N120-T124 PolarHBondContact O-N 3.31Å; N120-T124 VanDerWaalsContact O-N 3.13Å; N120-T124 PolarHBondContact O-OG1 3.42Å
121N62.4Low68Low125 Ų12591 Ų9167%0.66854%0.537SS*.Hα-helixtrans-66.1-37.4176.5-72.6-39.9000112S117 L118 V119S117-N121 PolarHBondContact O-ND2 3.49Å; L118-N121 PolarHBondContact O-N 3.33Å; V119-N121 VanDerWaalsContact C-N 3.33Å; V119-N121 PolarHBondContact O-N 2.8Å
122L64.9Low68.9Low134 Ų13492 Ų9270%0.70254%0.541SS*.Hα-helixtrans-69.6-37.1175.6-66.4171.9000112.1L118 V119 N120 T124L118-L122 WeakPolarHBondContact O-CG 3.29Å; L118-L122 PolarHBondContact O-N 3.14Å; V119-L122 PolarHBondContact O-N 3.21Å; V119-L122 VanDerWaalsContact O-N 3.14Å; N120-L122 VanDerWaalsContact C-N 3.34Å; N120-L122 PolarHBondContact O-N 3.37Å; L122-T124 VanDerWaalsContact C-N 3.27Å; L122-T124 PolarHBondContact O-N 2.9Å
123T60.3Low69.7Low98 Ų9895.1 Ų95.160%0.60154%0.541SS*.Hα-helixtrans-73.5-23.9-176.4-47.50000111.8V119 N120 K125V119-T123 WeakPolarHBondContact O-CB 3.48Å; V119-T123 PolarHBondContact O-N 3.35Å; V119-T123 PolarHBondContact O-OG1 3.2Å; N120-T123 PolarHBondContact O-N 2.63Å; T123-K125 PolarHBondContact O-N 3.16Å
124T64.3Low71.1Confident110 Ų11094.5 Ų94.568%0.67553%0.53SS*.THydrogen-bonded Turntrans-60.8-30.1-179.6-57.10000112.2N120 L122N120-T124 PolarHBondContact O-N 3.31Å; N120-T124 VanDerWaalsContact O-N 3.13Å; N120-T124 PolarHBondContact O-OG1 3.42Å; L122-T124 VanDerWaalsContact C-N 3.27Å; L122-T124 PolarHBondContact O-N 2.9Å
125K72.4Confident72.6Confident136 Ų13696.4 Ų96.459%0.59154%0.541SS*.SBendtrans-102.582.3178.2-63.5-165.1178-160.20110.9T123 P127T123-K125 PolarHBondContact O-N 3.16Å; K125-P127 WeakPolarHBondContact O-CD 3.39Å
126N81.2Confident74.1Confident79 Ų7993.3 Ų93.342%0.42252%0.522SS..  trans-61.1119.9171.9-179.2-5000109.5S128 S129N126-S128 PolarHBondContact O-N 3.34Å; N126-S128 WeakPolarHBondContact OD1-CB 3.38Å; N126-S128 PolarHBondContact OD1-N 3.02Å; N126-S128 PolarHBondContact OD1-OG 2.82Å; N126-S129 WeakPolarHBondContact O-CB 3.43Å; N126-S129 PolarHBondContact O-N 3.32Å
127P83.1Confident75.8Confident101 Ų10196.6 Ų96.666%0.65653%0.531SS*.THydrogen-bonded Turntrans-63.7-14.4-179.527-36.3000113.6K125K125-P127 WeakPolarHBondContact O-CD 3.39Å
128S83.6Confident77.1Confident84 Ų8496.9 Ų96.959%0.58753%0.532SS*.THydrogen-bonded Turntrans-86.7-8.1177.9-46.20000113.5N126 F130N126-S128 PolarHBondContact O-N 3.34Å; N126-S128 WeakPolarHBondContact OD1-CB 3.38Å; N126-S128 PolarHBondContact OD1-N 3.02Å; N126-S128 PolarHBondContact OD1-OG 2.82Å; S128-F130 WeakPolarHBondContact O-CE2 3.41Å
129S88.2Confident78.5Confident42 Ų4296 Ų9629%0.29453%0.527SS..  trans-81.2143.8176-63.20000110.7N126 F134N126-S129 WeakPolarHBondContact O-CB 3.43Å; N126-S129 PolarHBondContact O-N 3.32Å; S129-F134 VanDerWaalsContact CB-CE1 3.45Å; S129-F134 VanDerWaalsContact O-CB 3.29Å; S129-F134 WeakPolarHBondContact O-CB 3.29Å; S129-F134 WeakPolarHBondContact O-CG 3.42Å
130F90.5Very high79.5Confident86 Ų8693.4 Ų93.438%0.37751%0.512SS..  trans-110.4147.4179-57.8-84.1000110.2S128 R136 I139 L142S128-F130 WeakPolarHBondContact O-CE2 3.41Å; F130-R136 WeakPolarHBondContact CA-O 3.44Å; F130-R136 HydrophobicContact CD1-CB 3.86Å; F130-R136 HydrophobicContact CE1-CB 4.19Å; F130-I139 HydrophobicContact CE1-CB 4.46Å; F130-I139 HydrophobicContact CZ-CB 4.37Å; F130-I139 HydrophobicContact CZ-CG1 4.3Å; F130-L142 HydrophobicContact CE1-CD1 3.74Å; F130-L142 HydrophobicContact CZ-CD1 3.59Å
131G88.3Confident80.4Confident22 Ų2291.7 Ų91.723%0.22750%0.5CS..SBendtrans151-175.2175.800000112.7E133 F134 R136G131-E133 VanDerWaalsContact C-N 3.32Å; G131-E133 PolarHBondContact O-N 2.8Å; G131-F134 PolarHBondContact O-N 3.1Å; G131-R136 PolarHBondContact N-O 3.17Å
132T87.7Confident81.3Confident124 Ų12488.2 Ų88.276%0.76148%0.482SS*.THydrogen-bonded Turntrans-68.1-28.8-177460000114
133E83.4Confident82Confident153 Ų15387.2 Ų87.272%0.71547%0.47SS*.THydrogen-bonded Turntrans-92.7-2.9180-59.2-165.717600113.6G131G131-E133 VanDerWaalsContact C-N 3.32Å; G131-E133 PolarHBondContact O-N 2.8Å
134F84.8Confident82.9Confident66 Ų6684.1 Ų84.129%0.28946%0.457SS..SBendtrans-103.9162.4-178.3-64.7-75.3000110.6S129 G131 R136S129-F134 VanDerWaalsContact CB-CE1 3.45Å; S129-F134 VanDerWaalsContact O-CB 3.29Å; S129-F134 WeakPolarHBondContact O-CB 3.29Å; S129-F134 WeakPolarHBondContact O-CG 3.42Å; G131-F134 PolarHBondContact O-N 3.1Å; F134-R136 PolarHBondContact O-N 2.85Å; F134-R136 VanDerWaalsContact O-N 3.1Å
135P83.1Confident83.8Confident113 Ų11383.5 Ų83.573%0.73445%0.447SS*.SBendtrans-60-24.3-179.1-21.732.4000113.6
136R84.5Confident84.2Confident99 Ų9982.6 Ų82.637%0.37445%0.446SS..  trans-127.3135.3-179.3-57-174.3-152.3-136.29.3109.7F130 G131 F134 E141 L142F130-R136 WeakPolarHBondContact CA-O 3.44Å; F130-R136 HydrophobicContact CD1-CB 3.86Å; F130-R136 HydrophobicContact CE1-CB 4.19Å; G131-R136 PolarHBondContact N-O 3.17Å; F134-R136 PolarHBondContact O-N 2.85Å; F134-R136 VanDerWaalsContact O-N 3.1Å; R136-E141 VanDerWaalsContact CA-OE2 3.29Å; R136-E141 WeakPolarHBondContact CA-OE2 3.37Å; R136-E141 WeakPolarHBondContact CB-OE2 3.49Å; R136-L142 VanDerWaalsContact NH1-CG 3.34Å
137Q88.7Confident84.2Confident130 Ų13081.9 Ų81.961%0.60745%0.445SS*.SBendtrans-87.4-39.2-179.4-171.5174.1-8.300111.9E141Q137-E141 PolarHBondContact N-OE2 2.86Å
138C86.2Confident84.2Confident54 Ų5479.9 Ų79.937%0.36543%0.433SS..  trans-140.6152.1-176-1730000111.3C140 E141C138-C140 PolarHBondContact O-N 3.05Å; C138-C140 VanDerWaalsContact O-N 3.16Å; C138-E141 WeakPolarHBondContact O-CB 2.91Å; C138-E141 PolarHBondContact O-N 3.12Å; C138-E141 VanDerWaalsContact O-N 3.15Å
139I88.9Confident84.2Confident84 Ų8480.4 Ų80.443%0.43144%0.437SS..G310 helixtrans-62.4-20.4178.3-165.7159.5000113.1F130 E141 L142 Q145F130-I139 HydrophobicContact CE1-CB 4.46Å; F130-I139 HydrophobicContact CZ-CB 4.37Å; F130-I139 HydrophobicContact CZ-CG1 4.3Å; I139-E141 PolarHBondContact O-N 3.16Å; I139-E141 VanDerWaalsContact O-N 3.16Å; I139-L142 HydrophobicContact CG1-CD1 4.02Å; I139-L142 WeakPolarHBondContact O-CB 3.4Å; I139-L142 PolarHBondContact O-N 3.15Å; I139-Q145 HydrophobicContact CG1-CB 4.45Å; I139-Q145 HydrophobicContact CG1-CG 3.91Å; I139-Q145 WeakPolarHBondContact O-CB 3.39Å
140C82.4Confident83.9Confident17 Ų1782.3 Ų82.312%0.11545%0.45CS..G310 helixtrans-65.2-14.6175.863.20000114.1C138 M146 C148C138-C140 PolarHBondContact O-N 3.05Å; C138-C140 VanDerWaalsContact O-N 3.16Å; C140-M146 WeakPolarHBondContact CB-O 3.42Å; C140-C148 HydrophobicContact CB-CB 4.21Å
141E79.5Confident83.1Confident68 Ų6879.8 Ų79.832%0.31844%0.44SS..G310 helixtrans-80.7-5.1171.5-62.6172.5174.400112.2R136 Q137 C138 I139 W158R136-E141 VanDerWaalsContact CA-OE2 3.29Å; R136-E141 WeakPolarHBondContact CA-OE2 3.37Å; R136-E141 WeakPolarHBondContact CB-OE2 3.49Å; Q137-E141 PolarHBondContact N-OE2 2.86Å; C138-E141 WeakPolarHBondContact O-CB 2.91Å; C138-E141 PolarHBondContact O-N 3.12Å; C138-E141 VanDerWaalsContact O-N 3.15Å; I139-E141 PolarHBondContact O-N 3.16Å; I139-E141 VanDerWaalsContact O-N 3.16Å; E141-W158 WeakPolarHBondContact O-CZ2 3.49Å
142L81.1Confident82.2Confident53 Ų5385 Ų8528%0.27746%0.462SS..SBendtrans-86.5126.2171.4-83.4154.6000109.8F130 R136 I139 G144 Q145F130-L142 HydrophobicContact CE1-CD1 3.74Å; F130-L142 HydrophobicContact CZ-CD1 3.59Å; R136-L142 VanDerWaalsContact NH1-CG 3.34Å; I139-L142 HydrophobicContact CG1-CD1 4.02Å; I139-L142 WeakPolarHBondContact O-CB 3.4Å; I139-L142 PolarHBondContact O-N 3.15Å; L142-G144 PolarHBondContact O-N 2.95Å; L142-Q145 HydrophobicContact CB-CB 4.47Å; L142-Q145 HydrophobicContact CB-CG 3.76Å; L142-Q145 WeakPolarHBondContact O-CB 3.49Å; L142-Q145 PolarHBondContact O-N 3.06Å; L142-Q145 VanDerWaalsContact O-N 3.17Å
143Y80.6Confident81.4Confident113 Ų11383.1 Ų83.144%0.44347%0.467SS..THydrogen-bonded Turntrans-53.8134.7167.3175.1-99.1000110.6L161 E162Y143-L161 HydrophobicContact CD2-CB 4.04Å; Y143-L161 HydrophobicContact CE2-CB 3.58Å; Y143-L161 WeakPolarHBondContact CE2-O 3.47Å; Y143-L161 PolarHBondContact OH-O 3.21Å; Y143-E162 HydrophobicContact CE2-CG 4.48Å
144G78.6Confident80.8Confident33 Ų3381.3 Ų81.334%0.3446%0.457SS..THydrogen-bonded Turntrans94.8-9.2-176.100000114.9L142 Y163L142-G144 PolarHBondContact O-N 2.95Å; G144-Y163 VanDerWaalsContact CA-CE1 3.42Å; G144-Y163 WeakPolarHBondContact O-CE1 3.06Å; G144-Y163 PolarHBondContact O-OH 3.43Å; G144-Y163 VanDerWaalsContact O-OH 3.08Å
145Q83.4Confident80Confident97 Ų9783.8 Ų83.845%0.45348%0.48SS..SBendtrans-103.2160.8-177.5-59.6-64.6-23.900112I139 L142I139-Q145 HydrophobicContact CG1-CB 4.45Å; I139-Q145 HydrophobicContact CG1-CG 3.91Å; I139-Q145 WeakPolarHBondContact O-CB 3.39Å; L142-Q145 HydrophobicContact CB-CB 4.47Å; L142-Q145 HydrophobicContact CB-CG 3.76Å; L142-Q145 WeakPolarHBondContact O-CB 3.49Å; L142-Q145 PolarHBondContact O-N 3.06Å; L142-Q145 VanDerWaalsContact O-N 3.17Å
146M81.1Confident79.2Confident117 Ų11784.6 Ų84.658%0.57647%0.472SS*.PPolyproline II helixtrans-64.8133.5177.1-70.2-64.9-71.900110.9C140 L165C140-M146 WeakPolarHBondContact CB-O 3.42Å; M146-L165 HydrophobicContact CE-CD1 4.36Å; M146-L165 HydrophobicContact SD-CD1 4.09Å; M146-L165 HydrophobicContact SD-CD2 4.06Å
147P80.5Confident78.4Confident63 Ų6384.9 Ų84.941%0.40948%0.48SS..PPolyproline II helixtrans-68.2153.7177.529-34.4000110.8
148C82.8Confident77.4Confident59 Ų5983.3 Ų83.340%0.39947%0.468SS..PPolyproline II helixtrans-60.6144.6173.6-1730000110.3C140 S150 N151C140-C148 HydrophobicContact CB-CB 4.21Å; C148-S150 PolarHBondContact O-N 3.24Å; C148-S150 VanDerWaalsContact O-N 3.15Å; C148-N151 WeakPolarHBondContact O-CA 3.33Å; C148-N151 WeakPolarHBondContact O-CB 3.08Å; C148-N151 PolarHBondContact O-N 3.27Å
149S83.8Confident76.4Confident95 Ų9585.3 Ų85.366%0.66448%0.481SS*.G310 helixtrans-55.6-34.7-179.555.20000113N151 I152S149-N151 PolarHBondContact O-N 3.16Å; S149-N151 VanDerWaalsContact O-N 3.17Å; S149-I152 WeakPolarHBondContact O-CB 3.48Å; S149-I152 WeakPolarHBondContact O-CG1 3.34Å; S149-I152 PolarHBondContact O-N 3.15Å; S149-I152 VanDerWaalsContact O-N 3.12Å
150S81.3Confident75.3Confident82 Ų8291.6 Ų91.657%0.57351%0.505SS*.G310 helixtrans-65-15.2176-173.40000114.3C148 K154C148-S150 PolarHBondContact O-N 3.24Å; C148-S150 VanDerWaalsContact O-N 3.15Å; S150-K154 WeakPolarHBondContact O-CE 3.47Å; S150-K154 PolarHBondContact O-NZ 3.25Å
151N74.6Confident74.5Confident33 Ų3395.8 Ų95.818%0.17653%0.526CS..G310 helixtrans-99.4-3177.8-150.648.4000113.3C148 S149 G153 K154C148-N151 WeakPolarHBondContact O-CA 3.33Å; C148-N151 WeakPolarHBondContact O-CB 3.08Å; C148-N151 PolarHBondContact O-N 3.27Å; S149-N151 PolarHBondContact O-N 3.16Å; S149-N151 VanDerWaalsContact O-N 3.17Å; N151-G153 PolarHBondContact O-N 2.93Å; N151-K154 PolarHBondContact O-N 3.17Å; N151-K154 VanDerWaalsContact O-N 3.15Å; N151-K154 WeakPolarHBondContact OD1-CB 3.38Å
152I69.7Low73.6Confident131 Ų13195.5 Ų95.567%0.67253%0.525SS*.THydrogen-bonded Turntrans-66.1119.9173.9-59.8171.4000107.9S149S149-I152 WeakPolarHBondContact O-CB 3.48Å; S149-I152 WeakPolarHBondContact O-CG1 3.34Å; S149-I152 PolarHBondContact O-N 3.15Å; S149-I152 VanDerWaalsContact O-N 3.12Å
153G70.7Confident72.4Confident85 Ų8597.6 Ų97.688%0.87653%0.529SS*.THydrogen-bonded Turntrans91-3.7-17700000115.5N151N151-G153 PolarHBondContact O-N 2.93Å
154K71Confident71.2Confident116 Ų11698.6 Ų98.650%0.50455%0.547SS..SBendtrans-94.6158.5171.6-70.5-178-174.7164.40110.8S150 N151 K156S150-K154 WeakPolarHBondContact O-CE 3.47Å; S150-K154 PolarHBondContact O-NZ 3.25Å; N151-K154 PolarHBondContact O-N 3.17Å; N151-K154 VanDerWaalsContact O-N 3.15Å; N151-K154 WeakPolarHBondContact OD1-CB 3.38Å; K154-K156 PolarHBondContact O-N 3.42Å
155P68.2Low70.1Confident118 Ų118101.5 Ų101.577%0.76655%0.554SS**PPolyproline II helixtrans-53.7130.4170.521.6-31.9000109.8
156K64.7Low68.7Low130 Ų130101.6 Ų101.657%0.56556%0.563SS**PPolyproline II helixtrans-59.4143.6-175.3-69.3166.9162.1-138.50110.8K154 W158 E162K154-K156 PolarHBondContact O-N 3.42Å; K156-W158 PolarHBondContact O-N 3.33Å; K156-E162 WeakPolarHBondContact CD-OE2 3.32Å; K156-E162 WeakPolarHBondContact CE-OE2 3.21Å; K156-E162 IonicContact NZ-OE2 3.95Å; K156-E162 PolarHBondContact NZ-OE2 2.73Å
157L67.9Low67.7Low104 Ų104101.5 Ų101.555%0.54557%0.572SS.*SBendtrans-64.2-25.4179.5-70.1167.8000112.3P159L157-P159 WeakPolarHBondContact O-CD 3.44Å
158W68.6Low66.8Low97 Ų97104.5 Ų104.537%0.36759%0.588SS.*SBendtrans-125.179.2-175.9-4989.2000111.9E141 K156 K160 L161 E162E141-W158 WeakPolarHBondContact O-CZ2 3.49Å; K156-W158 PolarHBondContact O-N 3.33Å; W158-K160 PolarHBondContact O-N 3.5Å; W158-L161 HydrophobicContact CB-CB 4.42Å; W158-L161 PolarHBondContact O-N 3.26Å; W158-E162 HydrophobicContact CB-CG 4.31Å
159P64.4Low65.6Low96 Ų96107.7 Ų107.762%0.62360%0.602SS**THydrogen-bonded Turntrans-58.7129.1178.5-19.430.5000110.8L157 L161L157-P159 WeakPolarHBondContact O-CD 3.44Å; P159-L161 VanDerWaalsContact C-N 3.31Å; P159-L161 PolarHBondContact O-N 3.28Å
160K67.4Low64.6Low216 Ų216107.4 Ų107.494%0.93960%0.596SS**THydrogen-bonded Turntrans73.50.9173.1-49.4173.1-179.61760117.5W158W158-K160 PolarHBondContact O-N 3.5Å
161L65.5Low63.6Low105 Ų105110.6 Ų110.655%0.5560%0.602SS.*THydrogen-bonded Turntrans-99.8-26.6-179.8-80.8148.1000112.5Y143 W158 P159Y143-L161 HydrophobicContact CD2-CB 4.04Å; Y143-L161 HydrophobicContact CE2-CB 3.58Å; Y143-L161 WeakPolarHBondContact CE2-O 3.47Å; Y143-L161 PolarHBondContact OH-O 3.21Å; W158-L161 HydrophobicContact CB-CB 4.42Å; W158-L161 PolarHBondContact O-N 3.26Å; P159-L161 VanDerWaalsContact C-N 3.31Å; P159-L161 PolarHBondContact O-N 3.28Å
162E60.1Low62.9Low63 Ų63118.5 Ų118.529%0.29463%0.63SS.*  trans-72.3146.1-165.7-67.6168.1-166.700116.1Y143 K156 W158Y143-E162 HydrophobicContact CE2-CG 4.48Å; K156-E162 WeakPolarHBondContact CD-OE2 3.32Å; K156-E162 WeakPolarHBondContact CE-OE2 3.21Å; K156-E162 IonicContact NZ-OE2 3.95Å; K156-E162 PolarHBondContact NZ-OE2 2.73Å; W158-E162 HydrophobicContact CB-CG 4.31Å
163Y54.6Low62.1Low97 Ų97119.2 Ų119.238%0.3863%0.628SS.*  trans-65.1135.9164.959.3-74.8000109.4G144 L165G144-Y163 VanDerWaalsContact CA-CE1 3.42Å; G144-Y163 WeakPolarHBondContact O-CE1 3.06Å; G144-Y163 PolarHBondContact O-OH 3.43Å; G144-Y163 VanDerWaalsContact O-OH 3.08Å; Y163-L165 HydrophobicContact CD2-CD2 4.27Å; Y163-L165 HydrophobicContact CE2-CD2 3.51Å; Y163-L165 HydrophobicContact CE2-CG 4.09Å; Y163-L165 PolarHBondContact O-N 3.14Å; Y163-L165 VanDerWaalsContact O-N 3.13Å
164T56.3Low61.5Low134 Ų134121.5 Ų121.582%0.82261%0.614SS**  trans-68.8110.7172.248.10000108.1
165L54.8Low60.7Low93 Ų93119 Ų11949%0.48761%0.611SS.*PPolyproline II helixtrans-55.4137165.3-72.6168.9000107.9M146 Y163M146-L165 HydrophobicContact CE-CD1 4.36Å; M146-L165 HydrophobicContact SD-CD1 4.09Å; M146-L165 HydrophobicContact SD-CD2 4.06Å; Y163-L165 HydrophobicContact CD2-CD2 4.27Å; Y163-L165 HydrophobicContact CE2-CD2 3.51Å; Y163-L165 HydrophobicContact CE2-CG 4.09Å; Y163-L165 PolarHBondContact O-N 3.14Å; Y163-L165 VanDerWaalsContact O-N 3.13Å
166P54.5Low60Low99 Ų99116.3 Ų116.364%0.64360%0.599SS**PPolyproline II helixtrans-56.6141.2172.125.2-32.4000108.3V168P166-V168 PolarHBondContact O-N 3.45Å; P166-V168 VanDerWaalsContact O-N 3.15Å
167P61.1Low59.5Low115 Ų115113.7 Ų113.775%0.74759%0.594SS**PPolyproline II helixtrans-53.9126.117522.5-30.8000108.4D169P167-D169 PolarHBondContact O-N 3.44Å
168V61.6Low58.8Low126 Ų126114.8 Ų114.876%0.76460%0.6SS**PPolyproline II helixtrans-75.1116.1171.4179.20000106P166 T170P166-V168 PolarHBondContact O-N 3.45Å; P166-V168 VanDerWaalsContact O-N 3.15Å; V168-T170 PolarHBondContact O-N 3.35Å
169D57.8Low58.2Low126 Ų126116.8 Ų116.867%0.67462%0.617SS**  trans-62.499.4175.4-69.8-25000109.1P167 E171P167-D169 PolarHBondContact O-N 3.44Å; D169-E171 PolarHBondContact O-N 3.38Å
170T62.8Low57.5Low90 Ų90116.8 Ų116.855%0.55262%0.619SS**THydrogen-bonded Turntrans-78.9-0.5177.848.70000112.5V168 W172 F173V168-T170 PolarHBondContact O-N 3.35Å; T170-W172 VanDerWaalsContact C-N 3.27Å; T170-W172 PolarHBondContact O-N 3.28Å; T170-F173 PolarHBondContact O-N 3.08Å; T170-F173 VanDerWaalsContact O-N 3.1Å
171E59.7Low56.9Low149 Ų149111.9 Ų111.970%0.69661%0.607SS**Hα-helixtrans-62.9-33.1-179.2-61.3-168.7163.100112.4D169 F173 K174 S175D169-E171 PolarHBondContact O-N 3.38Å; E171-F173 PolarHBondContact O-N 2.96Å; E171-K174 PolarHBondContact O-N 2.5Å; E171-S175 PolarHBondContact O-N 3.48Å
172W59.6Low56.2Low199 Ų199113.2 Ų113.275%0.75462%0.619SS**Hα-helixtrans-61.3-29.4174.2135-81.1000113.5T170 S175T170-W172 VanDerWaalsContact C-N 3.27Å; T170-W172 PolarHBondContact O-N 3.28Å; W172-S175 PolarHBondContact O-OG 3.36Å
173F53.5Low55.7Low145 Ų145117.7 Ų117.764%0.63665%0.645SS**Hα-helixtrans-81.4-29.6-178.4-152.4-87.6000111.7T170 E171 A176T170-F173 PolarHBondContact O-N 3.08Å; T170-F173 VanDerWaalsContact O-N 3.1Å; E171-F173 PolarHBondContact O-N 2.96Å; F173-A176 PolarHBondContact O-N 3Å
174K56.4Low55.1Low133 Ų133121.2 Ų121.258%0.57867%0.671SS**Hα-helixtrans-70.8-38.1177.3-66.8179.4-180175.20111.7E171 A176 T177 D178E171-K174 PolarHBondContact O-N 2.5Å; K174-A176 VanDerWaalsContact C-N 3.26Å; K174-A176 PolarHBondContact O-N 3.33Å; K174-T177 PolarHBondContact O-N 3.28Å; K174-T177 PolarHBondContact O-OG1 3.35Å; K174-D178 PolarHBondContact O-N 3.36Å
175S54.7Low54.4Low65 Ų65130 Ų13046%0.45569%0.689SS.*Hα-helixtrans-67.4-26.1176.858.40000113.2E171 W172 I179E171-S175 PolarHBondContact O-N 3.48Å; W172-S175 PolarHBondContact O-OG 3.36Å; S175-I179 VanDerWaalsContact O-CD1 3.23Å; S175-I179 WeakPolarHBondContact O-CD1 3.37Å; S175-I179 WeakPolarHBondContact O-CG1 3.23Å
176A54.3Low54.4Low61 Ų61131.9 Ų131.950%0.50470%0.699SS.*Hα-helixtrans-76.4-28.3177.500000113.4F173 K174F173-A176 PolarHBondContact O-N 3Å; K174-A176 VanDerWaalsContact C-N 3.26Å; K174-A176 PolarHBondContact O-N 3.33Å
177T53.9Low54.4Low74 Ų74133.6 Ų133.645%0.45470%0.702SS.*Hα-helixtrans-80.6-31.5179.142.40000113.1K174 I179 S180K174-T177 PolarHBondContact O-N 3.28Å; K174-T177 PolarHBondContact O-OG1 3.35Å; T177-I179 VanDerWaalsContact C-N 3.31Å; T177-I179 PolarHBondContact O-N 3.1Å; T177-S180 PolarHBondContact O-OG 3.35Å; T177-S180 VanDerWaalsContact O-OG 3.14Å
178D52.3Low54Low127 Ų127134.6 Ų134.668%0.67970%0.699SS**Hα-helixtrans-76.3-15.3-175.5-68.8-16.2000113.7K174 S180K174-D178 PolarHBondContact O-N 3.36Å; D178-S180 VanDerWaalsContact C-N 3.31Å; D178-S180 PolarHBondContact O-N 2.88Å
179I56Low53.5Low140 Ų140135.1 Ų135.172%0.71870%0.696SS**THydrogen-bonded Turntrans-81.3-9.6-178.8-62.1165.3000112.4S175 T177S175-I179 VanDerWaalsContact O-CD1 3.23Å; S175-I179 WeakPolarHBondContact O-CD1 3.37Å; S175-I179 WeakPolarHBondContact O-CG1 3.23Å; T177-I179 VanDerWaalsContact C-N 3.31Å; T177-I179 PolarHBondContact O-N 3.1Å
180S51.2Low53.3Low95 Ų95135.7 Ų135.766%0.66470%0.697SS**THydrogen-bonded Turntrans-103.36.4-17463.90000115.9T177 D178T177-S180 PolarHBondContact O-OG 3.35Å; T177-S180 VanDerWaalsContact O-OG 3.14Å; D178-S180 VanDerWaalsContact C-N 3.31Å; D178-S180 PolarHBondContact O-N 2.88Å
181V55Low52.6Low114 Ų114138.7 Ų138.769%0.69171%0.707SS**  trans-128.163.9179-166.50000110.6
182T50Low52.1Low133 Ų133138 Ų13882%0.81671%0.707SS**  trans-126.779.6153.542.80000106.5D184T182-D184 PolarHBondContact O-N 3.15Å
183D49.1Very low51.6Low157 Ų157133.3 Ų133.384%0.8470%0.704SS**  trans-65.6120.9166.7-93.1-31.6000108.2R185D183-R185 PolarHBondContact O-N 3.13Å
184D42.7Very low51.4Low170 Ų170132.3 Ų132.391%0.90971%0.709SS**  trans-52.7118.9165-79.2-42.7000110.1T182T182-D184 PolarHBondContact O-N 3.15Å
185R41.3Very low51Low319 Ų319132.3 Ų132.3100%1.20472%0.721SS**  trans-148.10163.9-121.8-174.2-173169.14.3111.7D183D183-R185 PolarHBondContact O-N 3.13Å

Retrieved 185 of 185 residues in 63.5 ms (Link to these results)

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