X6RJ73_HUMAN Loading...

Large ribosomal subunit protein uL24m

AlphaFold DB , UniProt , Accession X6RJ73, Species HUMAN (Homo sapiens, Human), Gene MRPL24, Length 173 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
1M42.6Very low43.8Very low240 Ų240120.4 Ų120.4100%1.18268%0.676SS**  0143.80-71.9-176.4170.700109L3M1-L3 PolarHBondContact O-N 3.08Å
2R45.7Very low44.9Very low204 Ų204123.8 Ų123.877%0.7768%0.679SS**  trans-71.988.8-155-63.6172175172.9-1.8113.3S4 A5R2-S4 PolarHBondContact O-N 3.04Å; R2-A5 HydrophobicContact CB-CB 3.92Å; R2-A5 PolarHBondContact O-N 3.33Å; R2-A5 VanDerWaalsContact O-N 3.08Å
3L40.9Very low46.7Very low143 Ų143120.9 Ų120.975%0.74967%0.667SS**Hα-helixtrans-53.3-32167.3-78.7165.9000111.7M1 A5 L7M1-L3 PolarHBondContact O-N 3.08Å; L3-A5 VanDerWaalsContact C-N 3.35Å; L3-A5 PolarHBondContact O-N 3.2Å; L3-L7 WeakPolarHBondContact O-CB 2.91Å; L3-L7 PolarHBondContact O-N 3.47Å; L3-L7 VanDerWaalsContact O-N 3.09Å
4S51Low48.9Very low87 Ų87122.1 Ų122.161%0.60868%0.679SS**Hα-helixtrans-60.8-35.4175.846.90000114.3R2 A8R2-S4 PolarHBondContact O-N 3.04Å; S4-A8 VanDerWaalsContact O-CB 3.29Å; S4-A8 WeakPolarHBondContact O-CB 3.37Å; S4-A8 PolarHBondContact O-N 3.39Å
5A41.2Very low51.1Low47 Ų47117.5 Ų117.539%0.38865%0.652SS.*Hα-helixtrans-75.8-38.3-17800000112.6R2 L3 L9R2-A5 HydrophobicContact CB-CB 3.92Å; R2-A5 PolarHBondContact O-N 3.33Å; R2-A5 VanDerWaalsContact O-N 3.08Å; L3-A5 VanDerWaalsContact C-N 3.35Å; L3-A5 PolarHBondContact O-N 3.2Å; A5-L9 PolarHBondContact O-N 3.21Å; A5-L9 VanDerWaalsContact O-N 3.14Å
6L37.6Very low52.9Low129 Ų129113.8 Ų113.868%0.67564%0.635SS**Hα-helixtrans-69.6-36.8174.2-81.7168.8000111.7L9 A10L6-L9 PolarHBondContact O-N 3.22Å; L6-A10 WeakPolarHBondContact O-CB 2.71Å; L6-A10 PolarHBondContact O-N 3.23Å
7L43.8Very low54.3Low127 Ų127113.9 Ų113.967%0.66564%0.642SS**Hα-helixtrans-68.8-36.2176.5-141.3143.4000111.7L3 L9 A10 S11L3-L7 WeakPolarHBondContact O-CB 2.91Å; L3-L7 PolarHBondContact O-N 3.47Å; L3-L7 VanDerWaalsContact O-N 3.09Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-A10 PolarHBondContact O-N 3.21Å; L7-S11 PolarHBondContact O-N 3.4Å; L7-S11 VanDerWaalsContact O-N 3.17Å
8A43.6Very low55.5Low59 Ų59114.6 Ų114.649%0.48864%0.639SS.*Hα-helixtrans-68.5-28.8172.900000113.6S4 S11S4-A8 VanDerWaalsContact O-CB 3.29Å; S4-A8 WeakPolarHBondContact O-CB 3.37Å; S4-A8 PolarHBondContact O-N 3.39Å; A8-S11 PolarHBondContact O-OG 3.08Å; A8-S11 VanDerWaalsContact O-OG 3.13Å
9L41.7Very low57.2Low119 Ų119109.7 Ų109.762%0.62361%0.61SS**Hα-helixtrans-74.8-38.3171.2-107.2148.3000111.6A5 L6 L7 S11A5-L9 PolarHBondContact O-N 3.21Å; A5-L9 VanDerWaalsContact O-N 3.14Å; L6-L9 PolarHBondContact O-N 3.22Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L9-S11 VanDerWaalsContact C-N 3.25Å; L9-S11 PolarHBondContact O-N 3.19Å
10A39.5Very low58.7Low86 Ų86110.8 Ų110.871%0.71160%0.604SS**Hα-helixtrans-69.4-1817800000113.9L6 L7L6-A10 WeakPolarHBondContact O-CB 2.71Å; L6-A10 PolarHBondContact O-N 3.23Å; L7-A10 PolarHBondContact O-N 3.21Å
11S53.8Low60.2Low83 Ų83108.7 Ų108.758%0.5859%0.588SS**THydrogen-bonded Turntrans-91.52.6-179.869.60000114.8L7 A8 L9 V13L7-S11 PolarHBondContact O-N 3.4Å; L7-S11 VanDerWaalsContact O-N 3.17Å; A8-S11 PolarHBondContact O-OG 3.08Å; A8-S11 VanDerWaalsContact O-OG 3.13Å; L9-S11 VanDerWaalsContact C-N 3.25Å; L9-S11 PolarHBondContact O-N 3.19Å; S11-V13 PolarHBondContact O-N 3.08Å
12K56.9Low62.6Low162 Ų16298.3 Ų98.370%0.70454%0.543SS*.  trans-69.8103173.7-76.2-171.8179.4-178.70109.1T14K12-T14 PolarHBondContact O-N 3.09Å; K12-T14 VanDerWaalsContact O-N 3.13Å
13V68.3Low64.7Low86 Ų8691.6 Ų91.652%0.52152%0.521SS..  trans-51.6119175.41800000109.1S11 L15S11-V13 PolarHBondContact O-N 3.08Å; V13-L15 HydrophobicContact CB-CD2 4.34Å; V13-L15 HydrophobicContact CG1-CD2 3.75Å; V13-L15 PolarHBondContact O-N 2.86Å
14T77.5Confident67.1Low137 Ų13785.6 Ų85.684%0.8449%0.491SS*.  trans-71.5108173.651.30000108.8K12K12-T14 PolarHBondContact O-N 3.09Å; K12-T14 VanDerWaalsContact O-N 3.13Å
15L82.4Confident68.8Low53 Ų5385.6 Ų85.628%0.27749%0.488SS..PPolyproline II helixtrans-86.2144.9-177.2-58.6174.9000110.9V13 Y19 Y21 P26V13-L15 HydrophobicContact CB-CD2 4.34Å; V13-L15 HydrophobicContact CG1-CD2 3.75Å; V13-L15 PolarHBondContact O-N 2.86Å; L15-Y19 HydrophobicContact CB-CD1 4.48Å; L15-Y19 HydrophobicContact CB-CD2 4.06Å; L15-Y19 HydrophobicContact CB-CG 3.92Å; L15-Y19 HydrophobicContact CD1-CD1 3.71Å; L15-Y19 HydrophobicContact CD1-CD2 4.46Å; L15-Y19 HydrophobicContact CD1-CE1 3.91Å; L15-Y19 HydrophobicContact CD1-CG 4.02Å; L15-Y19 HydrophobicContact CD2-CD2 3.95Å; L15-Y19 HydrophobicContact CD2-CE1 4.37Å; L15-Y19 HydrophobicContact CD2-CE2 3.85Å; L15-Y19 HydrophobicContact CD2-CG 4.33Å; L15-Y19 HydrophobicContact CG-CD1 4.46Å; L15-Y19 HydrophobicContact CG-CD2 4.37Å; L15-Y19 HydrophobicContact CG-CG 4.3Å; L15-Y21 HydrophobicContact CD1-CE1 3.72Å; L15-Y21 WeakPolarHBondContact CD1-OH 3.13Å; L15-P26 HydrophobicContact CD2-CB 3.61Å
16P80.2Confident71.1Confident59 Ų5986 Ų8638%0.38349%0.487SS..PPolyproline II helixtrans-61.6156176.325.7-35.1000111.6H18 Y19P16-H18 PolarHBondContact O-N 3.37Å; P16-Y19 HydrophobicContact CG-CD2 3.96Å; P16-Y19 VanDerWaalsContact O-CB 3.32Å; P16-Y19 WeakPolarHBondContact O-CB 3.36Å; P16-Y19 PolarHBondContact O-N 3.3Å
17P75.9Confident73.3Confident115 Ų11581.3 Ų81.375%0.74747%0.47SS*.THydrogen-bonded Turntrans-53.2141170.2-23.433.2000111.1Y19P17-Y19 PolarHBondContact O-N 2.93Å
18H77.3Confident75.4Confident126 Ų12677 Ų7758%0.58345%0.45SS*.THydrogen-bonded Turntrans59.728.6-177.5-46.1-68.7000114.9P16 R20P16-H18 PolarHBondContact O-N 3.37Å; H18-R20 PolarHBondContact O-N 3.02Å
19Y86.6Confident77.7Confident22 Ų2278.8 Ų78.89%0.08646%0.455CS..  trans-52.1129.3174.3-178.3-94.3000112.3L15 P16 P17 Y21 P26 D31 N35L15-Y19 HydrophobicContact CB-CD1 4.48Å; L15-Y19 HydrophobicContact CB-CD2 4.06Å; L15-Y19 HydrophobicContact CB-CG 3.92Å; L15-Y19 HydrophobicContact CD1-CD1 3.71Å; L15-Y19 HydrophobicContact CD1-CD2 4.46Å; L15-Y19 HydrophobicContact CD1-CE1 3.91Å; L15-Y19 HydrophobicContact CD1-CG 4.02Å; L15-Y19 HydrophobicContact CD2-CD2 3.95Å; L15-Y19 HydrophobicContact CD2-CE1 4.37Å; L15-Y19 HydrophobicContact CD2-CE2 3.85Å; L15-Y19 HydrophobicContact CD2-CG 4.33Å; L15-Y19 HydrophobicContact CG-CD1 4.46Å; L15-Y19 HydrophobicContact CG-CD2 4.37Å; L15-Y19 HydrophobicContact CG-CG 4.3Å; P16-Y19 HydrophobicContact CG-CD2 3.96Å; P16-Y19 VanDerWaalsContact O-CB 3.32Å; P16-Y19 WeakPolarHBondContact O-CB 3.36Å; P16-Y19 PolarHBondContact O-N 3.3Å; P17-Y19 PolarHBondContact O-N 2.93Å; Y19-Y21 AromaticContact CD1-CD1 3.82Å; Y19-Y21 HydrophobicContact CD1-CD1 3.82Å; Y19-Y21 AromaticContact CD1-CD2 3.91Å; Y19-Y21 HydrophobicContact CD1-CD2 3.91Å; Y19-Y21 AromaticContact CD1-CE1 3.79Å; Y19-Y21 HydrophobicContact CD1-CE1 3.79Å; Y19-Y21 AromaticContact CD1-CE2 3.9Å; Y19-Y21 HydrophobicContact CD1-CE2 3.9Å; Y19-Y21 AromaticContact CD1-CG 3.87Å; Y19-Y21 HydrophobicContact CD1-CG 3.87Å; Y19-Y21 AromaticContact CD1-CZ 3.83Å; Y19-Y21 AromaticContact CE1-CD1 3.48Å; Y19-Y21 HydrophobicContact CE1-CD1 3.48Å; Y19-Y21 VanDerWaalsContact CE1-CD1 3.48Å; Y19-Y21 HydrophobicContact CE1-CD2 4.34Å; Y19-Y21 AromaticContact CE1-CE1 3.71Å; Y19-Y21 HydrophobicContact CE1-CE1 3.71Å; Y19-Y21 AromaticContact CE1-CG 3.81Å; Y19-Y21 HydrophobicContact CE1-CG 3.81Å; Y19-P26 HydrophobicContact CE1-CB 4.49Å; Y19-P26 HydrophobicContact CE1-CG 4.41Å; Y19-P26 WeakPolarHBondContact OH-CA 3.41Å; Y19-P26 WeakPolarHBondContact OH-CB 3.41Å; Y19-D31 WeakPolarHBondContact CE2-OD2 3.46Å; Y19-D31 PolarHBondContact OH-OD1 3.38Å; Y19-D31 PolarHBondContact OH-OD2 2.81Å; Y19-N35 WeakPolarHBondContact CD2-ND2 3.32Å; Y19-N35 HydrophobicContact CE2-CB 4.47Å; Y19-N35 VanDerWaalsContact CE2-ND2 3.28Å; Y19-N35 WeakPolarHBondContact CE2-ND2 3.15Å
20R88.4Confident79.9Confident132 Ų13275.4 Ų75.450%0.49844%0.444SS..  trans-97.396.8177.6-174.9169.9-176.9157.2-0.4110H18 G22 N35H18-R20 PolarHBondContact O-N 3.02Å; R20-G22 PolarHBondContact O-N 3.17Å; R20-N35 PolarHBondContact N-ND2 3Å
21Y90.1Very high82.3Confident66 Ų6671.6 Ų71.626%0.25941%0.412SS..  trans-53.5129170.5-64.3-84000111.3L15 Y19 Q82 R83L15-Y21 HydrophobicContact CD1-CE1 3.72Å; L15-Y21 WeakPolarHBondContact CD1-OH 3.13Å; Y19-Y21 AromaticContact CD1-CD1 3.82Å; Y19-Y21 HydrophobicContact CD1-CD1 3.82Å; Y19-Y21 AromaticContact CD1-CD2 3.91Å; Y19-Y21 HydrophobicContact CD1-CD2 3.91Å; Y19-Y21 AromaticContact CD1-CE1 3.79Å; Y19-Y21 HydrophobicContact CD1-CE1 3.79Å; Y19-Y21 AromaticContact CD1-CE2 3.9Å; Y19-Y21 HydrophobicContact CD1-CE2 3.9Å; Y19-Y21 AromaticContact CD1-CG 3.87Å; Y19-Y21 HydrophobicContact CD1-CG 3.87Å; Y19-Y21 AromaticContact CD1-CZ 3.83Å; Y19-Y21 AromaticContact CE1-CD1 3.48Å; Y19-Y21 HydrophobicContact CE1-CD1 3.48Å; Y19-Y21 VanDerWaalsContact CE1-CD1 3.48Å; Y19-Y21 HydrophobicContact CE1-CD2 4.34Å; Y19-Y21 AromaticContact CE1-CE1 3.71Å; Y19-Y21 HydrophobicContact CE1-CE1 3.71Å; Y19-Y21 AromaticContact CE1-CG 3.81Å; Y19-Y21 HydrophobicContact CE1-CG 3.81Å; Y21-Q82 HydrophobicContact CD1-CB 3.71Å; Y21-Q82 HydrophobicContact CD1-CG 3.8Å; Y21-Q82 HydrophobicContact CD2-CB 3.55Å; Y21-Q82 HydrophobicContact CD2-CG 4.17Å; Y21-Q82 HydrophobicContact CE1-CB 3.91Å; Y21-Q82 HydrophobicContact CE1-CG 3.52Å; Y21-Q82 HydrophobicContact CE2-CB 3.74Å; Y21-Q82 HydrophobicContact CE2-CG 3.9Å; Y21-Q82 HydrophobicContact CG-CB 3.54Å; Y21-Q82 HydrophobicContact CG-CG 4.13Å; Y21-R83 PolarHBondContact O-NE 3.32Å
22G91.9Very high84Confident23 Ų2374.1 Ų74.124%0.23741%0.412CS..  trans-133.3-166.317500000110.7R20 S24R20-G22 PolarHBondContact O-N 3.17Å; G22-S24 VanDerWaalsContact C-N 3.31Å
23M90.8Very high85.6Confident63 Ų6376.2 Ų76.231%0.3142%0.416SS..SBendtrans-77-16.4178.1-60.7-170.7-69.400114.2Q78 I80 V87 P114M23-Q78 PolarHBondContact O-NE2 2.95Å; M23-Q78 PolarHBondContact O-OE1 3.3Å; M23-I80 HydrophobicContact CB-CD1 4.25Å; M23-I80 HydrophobicContact CG-CD1 3.92Å; M23-V87 HydrophobicContact SD-CG2 4.23Å; M23-P114 HydrophobicContact CG-CG 4.46Å; M23-P114 HydrophobicContact SD-CG 4.19Å
24S90.8Very high86.5Confident17 Ų1777.4 Ų77.412%0.11941%0.414CS..SBendtrans-81.2136.4179.3-61.20000109.6G22 K34G22-S24 VanDerWaalsContact C-N 3.31Å; S24-K34 PolarHBondContact OG-NZ 2.63Å
25P87.1Confident87.1Confident86 Ų8671.7 Ų71.756%0.55838%0.378SS*.PPolyproline II helixtrans-54.9135175.4-26.834.8000111.2G27 S28 D31P25-G27 PolarHBondContact O-N 3.4Å; P25-S28 VanDerWaalsContact O-CB 3.24Å; P25-S28 WeakPolarHBondContact O-CB 3.29Å; P25-S28 PolarHBondContact O-N 2.95Å; P25-S28 VanDerWaalsContact O-N 3.12Å; P25-S28 PolarHBondContact O-OG 2.84Å; P25-D31 WeakPolarHBondContact O-CB 3.47Å
26P88.4Confident87.3Confident57 Ų5769.9 Ų69.937%0.3737%0.37SS..THydrogen-bonded Turntrans-57.6132.4-178.7-24.232.5000112.6L15 Y19 S28 D31L15-P26 HydrophobicContact CD2-CB 3.61Å; Y19-P26 HydrophobicContact CE1-CB 4.49Å; Y19-P26 HydrophobicContact CE1-CG 4.41Å; Y19-P26 WeakPolarHBondContact OH-CA 3.41Å; Y19-P26 WeakPolarHBondContact OH-CB 3.41Å; P26-S28 VanDerWaalsContact C-N 3.32Å; P26-S28 PolarHBondContact O-N 3.14Å; P26-D31 WeakPolarHBondContact CA-OD2 3.35Å
27G84.9Confident87.4Confident29 Ų2972.7 Ų72.730%0.29939%0.388SS..THydrogen-bonded Turntrans86.5-9.6-178.300000115.5P25 D31 K32P25-G27 PolarHBondContact O-N 3.4Å; G27-D31 PolarHBondContact N-OD2 2.83Å; G27-K32 WeakPolarHBondContact O-CE 3.43Å
28S88.1Confident87.7Confident37 Ų3777.3 Ų77.326%0.25939%0.391SS..SBendtrans-62.2158.5171.7670000112P25 P26 A30 D31 K32P25-S28 VanDerWaalsContact O-CB 3.24Å; P25-S28 WeakPolarHBondContact O-CB 3.29Å; P25-S28 PolarHBondContact O-N 2.95Å; P25-S28 VanDerWaalsContact O-N 3.12Å; P25-S28 PolarHBondContact O-OG 2.84Å; P26-S28 VanDerWaalsContact C-N 3.32Å; P26-S28 PolarHBondContact O-N 3.14Å; S28-A30 PolarHBondContact O-N 2.69Å; S28-D31 WeakPolarHBondContact O-CB 3.48Å; S28-D31 PolarHBondContact O-N 3.39Å; S28-D31 VanDerWaalsContact O-N 3.09Å; S28-D31 VanDerWaalsContact OG-CB 3.26Å; S28-D31 WeakPolarHBondContact OG-CB 3.47Å; S28-D31 PolarHBondContact OG-N 3.34Å; S28-K32 WeakPolarHBondContact O-CG 3.5Å; S28-K32 PolarHBondContact O-N 2.97Å
29V90.4Very high88.1Confident97 Ų9774.8 Ų74.859%0.58838%0.38SS*.Hα-helixtrans-58.3-40.1177.51780000111.3R33V29-R33 VanDerWaalsContact O-CG 3.3Å; V29-R33 WeakPolarHBondContact O-CG 3.15Å; V29-R33 PolarHBondContact O-N 2.87Å
30A89.5Confident87.9Confident47 Ų4785.1 Ų85.139%0.38842%0.419SS..Hα-helixtrans-65-39.2176.700000112.2S28 K34S28-A30 PolarHBondContact O-N 2.69Å; A30-K34 WeakPolarHBondContact O-CG 3.28Å; A30-K34 PolarHBondContact O-N 3.24Å
31D90.3Very high87.6Confident7 Ų782.5 Ų82.54%0.03741%0.409CS..Hα-helixtrans-65.8-50.4175.1179.853.3000111.8Y19 P25 P26 G27 S28 R33 K34 N35Y19-D31 WeakPolarHBondContact CE2-OD2 3.46Å; Y19-D31 PolarHBondContact OH-OD1 3.38Å; Y19-D31 PolarHBondContact OH-OD2 2.81Å; P25-D31 WeakPolarHBondContact O-CB 3.47Å; P26-D31 WeakPolarHBondContact CA-OD2 3.35Å; G27-D31 PolarHBondContact N-OD2 2.83Å; S28-D31 WeakPolarHBondContact O-CB 3.48Å; S28-D31 PolarHBondContact O-N 3.39Å; S28-D31 VanDerWaalsContact O-N 3.09Å; S28-D31 VanDerWaalsContact OG-CB 3.26Å; S28-D31 WeakPolarHBondContact OG-CB 3.47Å; S28-D31 PolarHBondContact OG-N 3.34Å; D31-R33 PolarHBondContact O-N 3.25Å; D31-K34 CarbonylContact O-C 3.54Å; D31-K34 WeakPolarHBondContact O-CA 3.32Å; D31-K34 PolarHBondContact O-N 2.83Å; D31-N35 PolarHBondContact O-N 3.24Å
32K88.8Confident87.4Confident136 Ų13690.5 Ų90.559%0.59144%0.439SS*.Hα-helixtrans-56.4-37.7177.4-71.5175.3176.2172.20112.7G27 S28 N35G27-K32 WeakPolarHBondContact O-CE 3.43Å; S28-K32 WeakPolarHBondContact O-CG 3.5Å; S28-K32 PolarHBondContact O-N 2.97Å; K32-N35 CarbonylContact O-C 3.53Å; K32-N35 VanDerWaalsContact O-C 3.31Å; K32-N35 PolarHBondContact O-N 2.94Å
33R89.8Confident87Confident205 Ų20593.4 Ų93.477%0.77445%0.454SS*.Hα-helixtrans-65.1-39.1173.7-74.6175.7-178.4-176.31.6112.6V29 D31V29-R33 VanDerWaalsContact O-CG 3.3Å; V29-R33 WeakPolarHBondContact O-CG 3.15Å; V29-R33 PolarHBondContact O-N 2.87Å; D31-R33 PolarHBondContact O-N 3.25Å
34K88.4Confident86.6Confident111 Ų11193.4 Ų93.448%0.48346%0.457SS..Hα-helixtrans-79-26.4178.4-71.2173.5-177.2170.90112.9S24 A30 D31 P36 R41S24-K34 PolarHBondContact OG-NZ 2.63Å; A30-K34 WeakPolarHBondContact O-CG 3.28Å; A30-K34 PolarHBondContact O-N 3.24Å; D31-K34 CarbonylContact O-C 3.54Å; D31-K34 WeakPolarHBondContact O-CA 3.32Å; D31-K34 PolarHBondContact O-N 2.83Å; K34-P36 VanDerWaalsContact C-CD 3.45Å; K34-R41 PolarHBondContact O-NH1 3.34Å; K34-R41 PolarHBondContact O-NH2 2.77Å
35N89.1Confident86.4Confident17 Ų1799 Ų999%0.09149%0.491CS..SBendtrans-128.467.7-177.2-156.926.4000111.9Y19 R20 D31 K32 R41Y19-N35 WeakPolarHBondContact CD2-ND2 3.32Å; Y19-N35 HydrophobicContact CE2-CB 4.47Å; Y19-N35 VanDerWaalsContact CE2-ND2 3.28Å; Y19-N35 WeakPolarHBondContact CE2-ND2 3.15Å; R20-N35 PolarHBondContact N-ND2 3Å; D31-N35 PolarHBondContact O-N 3.24Å; K32-N35 CarbonylContact O-C 3.53Å; K32-N35 VanDerWaalsContact O-C 3.31Å; K32-N35 PolarHBondContact O-N 2.94Å; N35-R41 PolarHBondContact OD1-NH1 2.83Å
36P87.2Confident86.5Confident16 Ų1697.8 Ų97.810%0.10448%0.481CS..  trans-68.2146.3177.827.3-34.5000111.5K34 W38 I39K34-P36 VanDerWaalsContact C-CD 3.45Å; P36-W38 HydrophobicContact CB-CD2 3.84Å; P36-W38 HydrophobicContact CB-CE3 3.89Å; P36-W38 HydrophobicContact CB-CH2 3.51Å; P36-W38 HydrophobicContact CB-CZ2 3.44Å; P36-W38 VanDerWaalsContact CB-CZ2 3.44Å; P36-W38 HydrophobicContact CB-CZ3 3.74Å; P36-W38 HydrophobicContact CG-CZ2 4.09Å; P36-W38 PolarHBondContact O-N 3.36Å; P36-W38 VanDerWaalsContact O-N 3.11Å; P36-I39 HydrophobicContact CG-CB 4Å; P36-I39 HydrophobicContact CG-CG2 3.9Å; P36-I39 WeakPolarHBondContact O-CG2 3.43Å; P36-I39 PolarHBondContact O-N 3.22Å
37P81.4Confident86.6Confident117 Ų117103.1 Ų103.176%0.7650%0.501SS*.THydrogen-bonded Turntrans-59.1-28.7-174-25.333.3000115.4
38W82.2Confident87Confident213 Ų213105.5 Ų105.581%0.80751%0.511SS*.THydrogen-bonded Turntrans-84-9.4-176.16090.3000113.9P36 R40P36-W38 HydrophobicContact CB-CD2 3.84Å; P36-W38 HydrophobicContact CB-CE3 3.89Å; P36-W38 HydrophobicContact CB-CH2 3.51Å; P36-W38 HydrophobicContact CB-CZ2 3.44Å; P36-W38 VanDerWaalsContact CB-CZ2 3.44Å; P36-W38 HydrophobicContact CB-CZ3 3.74Å; P36-W38 HydrophobicContact CG-CZ2 4.09Å; P36-W38 PolarHBondContact O-N 3.36Å; P36-W38 VanDerWaalsContact O-N 3.11Å; W38-R40 PolarHBondContact O-N 3.13Å
39I85.1Confident87.3Confident72 Ų72106.2 Ų106.237%0.36951%0.512SS..  trans-84.1113.5-177.6-153162.9000110.7P36 R41P36-I39 HydrophobicContact CG-CB 4Å; P36-I39 HydrophobicContact CG-CG2 3.9Å; P36-I39 WeakPolarHBondContact O-CG2 3.43Å; P36-I39 PolarHBondContact O-N 3.22Å; I39-R41 HydrophobicContact CG1-CG 4.37Å; I39-R41 HydrophobicContact CG2-CG 4.34Å
40R82.8Confident87.4Confident239 Ų239104 Ų10490%0.90250%0.5SS*.  trans-88.2126.3170.8-63.1-174.2-178.7-1760.7109W38W38-R40 PolarHBondContact O-N 3.13Å
41R83.6Confident87.5Confident77 Ų77107.3 Ų107.329%0.29151%0.511SS..  trans-125.9151.9179.7-65.4175.5171.3156.1-0.4109.1K34 N35 I39K34-R41 PolarHBondContact O-NH1 3.34Å; K34-R41 PolarHBondContact O-NH2 2.77Å; N35-R41 PolarHBondContact OD1-NH1 2.83Å; I39-R41 HydrophobicContact CG1-CG 4.37Å; I39-R41 HydrophobicContact CG2-CG 4.34Å
42R85.8Confident87.5Confident235 Ų235113.4 Ų113.489%0.88754%0.54SS*.  trans-62134.7166.7-67.2-175.9179.2-179.3-0.5108.7
43P82Confident87.7Confident83 Ų83111.4 Ų111.454%0.53954%0.536SS..  trans-61.6145.6176.227.5-33.8000109
44V83.5Confident88Confident64 Ų64101.6 Ų101.639%0.38850%0.499SS..  trans-91.4115.4171.6-177.40000107V46 R83V44-V46 VanDerWaalsContact C-N 3.3Å; V44-V46 HydrophobicContact CG1-CG2 3.73Å; V44-V46 PolarHBondContact O-N 3.32Å; V44-R83 VanDerWaalsContact CG2-NH1 3.26Å; V44-R83 VanDerWaalsContact CG2-NH2 3.25Å
45V85.6Confident88.3Confident135 Ų13598 Ų9882%0.81848%0.482SS*.  trans-79.784.1-179.7-169.20000107.7
46V89.2Confident88.6Confident60 Ų6097.2 Ų97.236%0.36448%0.478SS..  trans-128.4120.1170.5173.60000106.2V44 P48V44-V46 VanDerWaalsContact C-N 3.3Å; V44-V46 HydrophobicContact CG1-CG2 3.73Å; V44-V46 PolarHBondContact O-N 3.32Å; V46-P48 WeakPolarHBondContact O-CD 3.5Å
47E90.9Very high89Confident169 Ų16997.7 Ų97.779%0.7948%0.479SS*.PPolyproline II helixtrans-79120.5171.9-68.6176.817900108.2N84E47-N84 PolarHBondContact O-ND2 3.45Å
48P92.4Very high89.6Confident79 Ų7993.8 Ų93.851%0.51345%0.454SS..PPolyproline II helixtrans-68.4140.4174.329.1-32.4000109.3V46 N84V46-P48 WeakPolarHBondContact O-CD 3.5Å; P48-N84 WeakPolarHBondContact CA-OD1 3.44Å
49I94.5Very high90.2Very high52 Ų5285.4 Ų85.427%0.26743%0.433SS..PPolyproline II helixtrans-59.4142.9168.1-62.5162.9000107.9D53 W54 N84 H117I49-D53 HydrophobicContact CG2-CB 3.89Å; I49-W54 HydrophobicContact CB-CE3 3.88Å; I49-W54 HydrophobicContact CB-CZ3 4.27Å; I49-W54 HydrophobicContact CD1-CE3 4.18Å; I49-W54 HydrophobicContact CD1-CZ3 3.97Å; I49-W54 HydrophobicContact CG2-CE3 4.27Å; I49-N84 HydrophobicContact CD1-CB 4.4Å; I49-N84 PolarHBondContact N-OD1 3.44Å; I49-H117 HydrophobicContact CD1-CB 4.1Å
50S94.1Very high90.7Very high49 Ų4982.4 Ų82.434%0.34342%0.418SS..PPolyproline II helixtrans-58.7149.417983.20000110.8E52 D53 W54S50-E52 PolarHBondContact O-N 2.8Å; S50-D53 PolarHBondContact O-N 2.7Å; S50-D53 WeakPolarHBondContact OG-CB 3.49Å; S50-D53 PolarHBondContact OG-N 2.73Å; S50-D53 PolarHBondContact OG-OD2 3.2Å; S50-W54 WeakPolarHBondContact O-CB 3Å; S50-W54 PolarHBondContact O-N 2.81Å; S50-W54 VanDerWaalsContact O-N 3.09Å
51D90.2Very high91.4Very high117 Ų11774 Ų7463%0.62639%0.393SS*.THydrogen-bonded Turntrans-63.2-24.3178.9-80.2-26000112.5R81D51-R81 VanDerWaalsContact CG-NH1 3.33Å; D51-R81 WeakPolarHBondContact OD1-CD 3.49Å; D51-R81 IonicContact OD1-CZ 3.53Å; D51-R81 IonicContact OD1-NE 3.02Å; D51-R81 IonicContact OD1-NH1 2.72Å; D51-R81 PolarHBondContact OD1-NH1 2.63Å
52E90.9Very high92.1Very high135 Ų13570.3 Ų70.363%0.63138%0.379SS*.THydrogen-bonded Turntrans-75.7-43.4177.7-70.9-179.2-159.400111.8S50 W54 W135 R143S50-E52 PolarHBondContact O-N 2.8Å; E52-W54 VanDerWaalsContact C-N 3.33Å; E52-W135 PolarHBondContact O-NE1 2.68Å; E52-R143 VanDerWaalsContact O-CZ 3.23Å; E52-R143 PolarHBondContact O-NH2 3.26Å
53D93.3Very high92.6Very high94 Ų9460.6 Ų60.650%0.50334%0.344SS..THydrogen-bonded Turntrans-78.3-23.3-177.8-59.9-38.9000112.1I49 S50 Y55 W135I49-D53 HydrophobicContact CG2-CB 3.89Å; S50-D53 PolarHBondContact O-N 2.7Å; S50-D53 WeakPolarHBondContact OG-CB 3.49Å; S50-D53 PolarHBondContact OG-N 2.73Å; S50-D53 PolarHBondContact OG-OD2 3.2Å; D53-Y55 PolarHBondContact O-N 2.97Å; D53-W135 PolarHBondContact O-NE1 3.18Å
54W95.3Very high93.4Very high0 Ų056.7 Ų56.70%032%0.319CS..  trans-62115.2-178.3-170.2-76.4000113I49 S50 E52 L56 V79 R81 N84 V86 H117 W135I49-W54 HydrophobicContact CB-CE3 3.88Å; I49-W54 HydrophobicContact CB-CZ3 4.27Å; I49-W54 HydrophobicContact CD1-CE3 4.18Å; I49-W54 HydrophobicContact CD1-CZ3 3.97Å; I49-W54 HydrophobicContact CG2-CE3 4.27Å; S50-W54 WeakPolarHBondContact O-CB 3Å; S50-W54 PolarHBondContact O-N 2.81Å; S50-W54 VanDerWaalsContact O-N 3.09Å; E52-W54 VanDerWaalsContact C-N 3.33Å; W54-L56 VanDerWaalsContact CD1-O 3.25Å; W54-L56 HydrophobicContact CZ2-CB 4.41Å; W54-L56 PolarHBondContact NE1-O 2.84Å; W54-V79 HydrophobicContact CH2-CG1 4.22Å; W54-V79 HydrophobicContact CZ2-CG1 3.3Å; W54-R81 VanDerWaalsContact CD1-NH2 3.31Å; W54-R81 HydrophobicContact CD2-CG 3.89Å; W54-R81 HydrophobicContact CE3-CB 4.4Å; W54-R81 HydrophobicContact CE3-CG 4.02Å; W54-R81 HydrophobicContact CG-CG 4.41Å; W54-R81 HydrophobicContact CZ2-CG 4.38Å; W54-R81 HydrophobicContact CZ3-CB 4.48Å; W54-R81 HydrophobicContact CZ3-CG 4.34Å; W54-N84 HydrophobicContact CZ3-CB 4.25Å; W54-V86 HydrophobicContact CH2-CG2 4.35Å; W54-V86 HydrophobicContact CZ2-CG2 4.03Å; W54-H117 HydrophobicContact CH2-CB 4.09Å; W54-H117 AromaticContact CH2-CD2 3.65Å; W54-H117 AromaticContact CZ2-CD2 3.79Å; W54-H117 HydrophobicContact CZ3-CB 4.43Å; W54-H117 AromaticContact CZ3-CD2 3.9Å; W54-W135 WeakPolarHBondContact O-CZ2 3.32Å
55Y95.3Very high94.1Very high34 Ų3457.1 Ų57.113%0.13332%0.318CS..  trans-111.2-2.1-175.463.4-101.5000116D53 H117 L122 I133 R145D53-Y55 PolarHBondContact O-N 2.97Å; Y55-H117 AromaticContact CD1-NE2 4Å; Y55-H117 AromaticContact CE1-CE1 3.33Å; Y55-H117 WeakPolarHBondContact CE1-CE1 3.44Å; Y55-H117 AromaticContact CE1-NE2 3.59Å; Y55-H117 AromaticContact CZ-CE1 3.33Å; Y55-H117 AromaticContact CZ-NE2 3.59Å; Y55-H117 PolarHBondContact OH-CE1 3.42Å; Y55-H117 VanDerWaalsContact OH-CE1 3.24Å; Y55-L122 HydrophobicContact CD2-CD1 4.01Å; Y55-L122 HydrophobicContact CD2-CG 4.37Å; Y55-I133 HydrophobicContact CD2-CB 4.24Å; Y55-I133 HydrophobicContact CD2-CG1 4.05Å; Y55-I133 HydrophobicContact CD2-CG2 4.48Å; Y55-I133 HydrophobicContact CE2-CG1 4.19Å; Y55-I133 HydrophobicContact CG-CB 4.25Å; Y55-I133 HydrophobicContact CG-CG2 4.23Å; Y55-R145 VanDerWaalsContact O-CD 3.3Å; Y55-R145 WeakPolarHBondContact O-CD 3.3Å; Y55-R145 PolarHBondContact O-NH1 3.02Å
56L95.9Very high94.6Very high1 Ų155.2 Ų55.21%0.00530%0.3CS..  trans-97.2126.9179.6-67.6176.9000112.5W54 V62 V86 L122W54-L56 VanDerWaalsContact CD1-O 3.25Å; W54-L56 HydrophobicContact CZ2-CB 4.41Å; W54-L56 PolarHBondContact NE1-O 2.84Å; L56-V62 HydrophobicContact CD2-CG1 3.79Å; L56-V86 HydrophobicContact CD1-CG2 3.83Å; L56-L122 HydrophobicContact CD2-CD1 4.43Å; L56-L122 HydrophobicContact CD2-CD2 3.71Å; L56-L122 HydrophobicContact CD2-CG 3.69Å
57F95.1Very high94.9Very high27 Ų2755.3 Ų55.312%0.11831%0.314CS..  trans-123.6156.5-179.3-62.6-82.4000110.8G59 D60 V76 W135 K156 P157 F159F57-G59 PolarHBondContact O-N 2.84Å; F57-D60 WeakPolarHBondContact CA-OD2 3.47Å; F57-D60 PolarHBondContact N-OD2 2.61Å; F57-D60 WeakPolarHBondContact O-CB 3.34Å; F57-D60 PolarHBondContact O-N 2.72Å; F57-V76 WeakPolarHBondContact O-CB 3.47Å; F57-W135 HydrophobicContact CE2-CH2 4.21Å; F57-W135 HydrophobicContact CE2-CZ2 4.43Å; F57-W135 HydrophobicContact CZ-CH2 4.48Å; F57-K156 HydrophobicContact CD2-CG 4.3Å; F57-K156 HydrophobicContact CE2-CD 4.39Å; F57-K156 HydrophobicContact CE2-CG 4.19Å; F57-K156 HydrophobicContact CZ-CD 4.48Å; F57-P157 HydrophobicContact CB-CG 3.66Å; F57-F159 HydrophobicContact CB-CE2 4.13Å; F57-F159 HydrophobicContact CB-CZ 3.92Å; F57-F159 HydrophobicContact CD1-CE2 4.23Å; F57-F159 HydrophobicContact CD1-CZ 4.26Å
58C94.1Very high95.1Very high35 Ų3554.5 Ų54.524%0.23631%0.308CS..THydrogen-bonded Turntrans-65.8136.8175.5-51.70000108.9V76 P157 F159C58-V76 CarbonylContact C-O 3.5Å; C58-V76 WeakPolarHBondContact CA-O 3.3Å; C58-P157 WeakPolarHBondContact O-CB 3.35Å; C58-P157 WeakPolarHBondContact O-CG 3.48Å; C58-F159 HydrophobicContact CB-CE1 3.62Å; C58-F159 HydrophobicContact CB-CZ 4.19Å
59G94.2Very high95.3Very high37 Ų3751.2 Ų51.238%0.38129%0.286SS..THydrogen-bonded Turntrans95.6-16-172.800000114.4F57 V76F57-G59 PolarHBondContact O-N 2.84Å; G59-V76 PolarHBondContact N-O 3.12Å
60D96.4Very high95.5Very high9 Ų951.1 Ų51.15%0.04829%0.293CS..  trans-64.4144.9175-78.8-36.9000111.9F57 V62 K75 V76 L122 R145 P157F57-D60 WeakPolarHBondContact CA-OD2 3.47Å; F57-D60 PolarHBondContact N-OD2 2.61Å; F57-D60 WeakPolarHBondContact O-CB 3.34Å; F57-D60 PolarHBondContact O-N 2.72Å; D60-V62 HydrophobicContact CB-CG1 4.43Å; D60-K75 CarbonylContact O-C 3.6Å; D60-K75 VanDerWaalsContact O-CA 3.31Å; D60-K75 WeakPolarHBondContact O-CA 3.31Å; D60-V76 HydrophobicContact CB-CG2 4.29Å; D60-V76 PolarHBondContact O-N 3.49Å; D60-L122 HydrophobicContact CB-CD2 3.57Å; D60-R145 VanDerWaalsContact CG-NH1 3.31Å; D60-R145 IonicContact OD1-CZ 2.64Å; D60-R145 IonicContact OD1-NH1 3.26Å; D60-R145 PolarHBondContact OD1-NH1 3.37Å; D60-R145 IonicContact OD1-NH2 2.8Å; D60-R145 PolarHBondContact OD1-NH2 2.95Å; D60-R145 IonicContact OD2-CZ 3.96Å; D60-R145 IonicContact OD2-NH1 2.68Å; D60-R145 PolarHBondContact OD2-NH1 2.9Å; D60-R145 IonicContact OD2-NH2 3.62Å; D60-P157 VanDerWaalsContact OD1-CD 3.28Å; D60-P157 WeakPolarHBondContact OD1-CD 3.16Å
61T96.6Very high95.6Very high61 Ų6151.2 Ų51.237%0.37430%0.301SS..EExtended strand (participates in β ladder)trans-88.9124.9168.8-54.70000109.4V123T61-V123 HydrophobicContact CG2-CB 4.25Å; T61-V123 HydrophobicContact CG2-CG2 4.18Å; T61-V123 PolarHBondContact O-N 3.47Å; T61-V123 VanDerWaalsContact O-N 3.12Å
62V97.9Very high96Very high0 Ų050.6 Ų50.60%029%0.293CS..EExtended strand (participates in β ladder)trans-131.1155.2-175.6-67.30000111.5L56 D60 Q73 G74 V76 V88 V120 K121 L122L56-V62 HydrophobicContact CD2-CG1 3.79Å; D60-V62 HydrophobicContact CB-CG1 4.43Å; V62-Q73 CarbonylContact O-C 3.58Å; V62-Q73 WeakPolarHBondContact O-CA 3.33Å; V62-G74 WeakPolarHBondContact CG2-O 3.24Å; V62-G74 PolarHBondContact N-O 3.27Å; V62-G74 PolarHBondContact O-N 3.17Å; V62-V76 HydrophobicContact CB-CG2 4.33Å; V62-V76 HydrophobicContact CG1-CG2 3.65Å; V62-V76 HydrophobicContact CG2-CG2 3.67Å; V62-V88 HydrophobicContact CG2-CG1 4.06Å; V62-V88 HydrophobicContact CG2-CG2 3.72Å; V62-V120 HydrophobicContact CB-CG1 3.31Å; V62-V120 HydrophobicContact CG1-CG1 3.73Å; V62-V120 HydrophobicContact CG2-CG1 3.47Å; V62-V120 VanDerWaalsContact CG2-CG1 3.47Å; V62-K121 CarbonylContact C-O 3.53Å; V62-K121 WeakPolarHBondContact CA-O 3.43Å; V62-K121 VanDerWaalsContact CB-O 3.28Å; V62-K121 WeakPolarHBondContact CB-O 3.36Å; V62-L122 HydrophobicContact CG1-CD2 3.86Å
63E98.1Very high96.3Very high31 Ų3148.2 Ų48.215%0.14528%0.282CS..EExtended strand (participates in β ladder)trans-110.4138.3170.8-166.8172120.200110.4Q73 V120 K121 V123 P130E63-Q73 HydrophobicContact CB-CG 3.93Å; E63-Q73 HydrophobicContact CG-CG 3.9Å; E63-Q73 PolarHBondContact OE2-NE2 2.66Å; E63-V120 WeakPolarHBondContact O-CA 3.34Å; E63-K121 PolarHBondContact N-O 3.28Å; E63-K121 PolarHBondContact O-N 3.12Å; E63-V123 HydrophobicContact CB-CG2 4.01Å; E63-P130 HydrophobicContact CB-CB 4.17Å; E63-P130 WeakPolarHBondContact OE1-CG 3.37Å; E63-P130 WeakPolarHBondContact OE2-CD 3.08Å
64I98.3Very high96.5Very high2 Ų244.3 Ų44.31%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-85.1128.1175.8-59.7174.3000109E66 D69 A70 G71 K72 L91 L115I64-E66 WeakPolarHBondContact CG2-O 3.38Å; I64-D69 HydrophobicContact CD1-CB 3.9Å; I64-A70 CarbonylContact O-C 3.52Å; I64-A70 WeakPolarHBondContact O-CA 3.24Å; I64-G71 PolarHBondContact O-N 3.43Å; I64-K72 PolarHBondContact N-O 2.9Å; I64-L91 HydrophobicContact CD1-CB 3.71Å; I64-L91 HydrophobicContact CD1-CD1 3.7Å; I64-L91 HydrophobicContact CD1-CG 4.3Å; I64-L91 HydrophobicContact CG1-CD1 4.43Å; I64-L115 HydrophobicContact CD1-CD1 3.58Å; I64-L115 HydrophobicContact CG1-CD1 3.72Å; I64-L115 HydrophobicContact CG2-CD1 4.26Å
65L97.9Very high96.5Very high72 Ų7250.8 Ų50.838%0.37729%0.292SS..  trans-88.6-34.9-178.5-58.6-178.6000113.3Q119 K121 P130L65-Q119 PolarHBondContact N-O 2.78Å; L65-K121 HydrophobicContact CD1-CD 3.84Å; L65-K121 HydrophobicContact CD1-CG 3.89Å; L65-K121 HydrophobicContact CD2-CB 4.46Å; L65-K121 HydrophobicContact CD2-CD 4.17Å; L65-K121 HydrophobicContact CD2-CG 4.42Å; L65-K121 HydrophobicContact CG-CD 4.49Å; L65-K121 HydrophobicContact CG-CG 4.4Å; L65-P130 HydrophobicContact CD2-CB 4.29Å
66E96.5Very high96.6Very high95 Ų9549.4 Ų49.444%0.44429%0.287SS..SBendtrans-137157.6-174.565.7176.2-157.200113.1I64 Q119I64-E66 WeakPolarHBondContact CG2-O 3.38Å; E66-Q119 HydrophobicContact CG-CB 3.94Å; E66-Q119 HydrophobicContact CG-CG 3.7Å; E66-Q119 VanDerWaalsContact OE1-CD 3.32Å; E66-Q119 WeakPolarHBondContact OE1-CG 3.33Å; E66-Q119 PolarHBondContact OE1-NE2 2.84Å
67G95.5Very high96.5Very high62 Ų6253.4 Ų53.464%0.63931%0.311SS*.SBendtrans97.2-164.5179.800000113.9D69 A70G67-D69 VanDerWaalsContact C-N 3.26Å; G67-D69 PolarHBondContact O-N 3.2Å; G67-A70 WeakPolarHBondContact O-CB 3.46Å; G67-A70 PolarHBondContact O-N 3.01Å
68K94.5Very high96.5Very high153 Ų15355 Ų5567%0.66532%0.319SS*.THydrogen-bonded Turntrans-60.4-34.4-172.7178.4-176.8171.4-170.70113.5
69D97.1Very high96.5Very high10 Ų1055 Ų555%0.05332%0.318CS..THydrogen-bonded Turntrans-108.925.7-174.6-68.7-47.6000112.3I64 G67 K72 L91 N92I64-D69 HydrophobicContact CD1-CB 3.9Å; G67-D69 VanDerWaalsContact C-N 3.26Å; G67-D69 PolarHBondContact O-N 3.2Å; D69-K72 HydrophobicContact CB-CD 4.04Å; D69-K72 WeakPolarHBondContact O-CB 3.36Å; D69-K72 PolarHBondContact O-N 3.26Å; D69-K72 VanDerWaalsContact O-N 3.15Å; D69-K72 IonicContact OD1-NZ 2.72Å; D69-K72 PolarHBondContact OD1-NZ 3.49Å; D69-L91 HydrophobicContact CB-CB 4.49Å; D69-L91 HydrophobicContact CB-CD2 4.3Å; D69-N92 WeakPolarHBondContact OD2-CA 3.21Å; D69-N92 PolarHBondContact OD2-N 2.82Å
70A97.4Very high96.5Very high50 Ų5053.7 Ų53.741%0.41330%0.302SS..THydrogen-bonded Turntrans-56138.6176.600000112.1I64 G67 K72I64-A70 CarbonylContact O-C 3.52Å; I64-A70 WeakPolarHBondContact O-CA 3.24Å; G67-A70 WeakPolarHBondContact O-CB 3.46Å; G67-A70 PolarHBondContact O-N 3.01Å; A70-K72 PolarHBondContact O-N 2.97Å
71G97.3Very high96.4Very high50 Ų5056.1 Ų56.152%0.51531%0.311SS..THydrogen-bonded Turntrans78.2-6.9-176.100000114.9I64I64-G71 PolarHBondContact O-N 3.43Å
72K97.8Very high96.2Very high105 Ų10557.3 Ų57.346%0.45731%0.312SS..  trans-84.1143.9174.6-61.2-177.7-172.8167.20110.6I64 D69 A70 L91I64-K72 PolarHBondContact N-O 2.9Å; D69-K72 HydrophobicContact CB-CD 4.04Å; D69-K72 WeakPolarHBondContact O-CB 3.36Å; D69-K72 PolarHBondContact O-N 3.26Å; D69-K72 VanDerWaalsContact O-N 3.15Å; D69-K72 IonicContact OD1-NZ 2.72Å; D69-K72 PolarHBondContact OD1-NZ 3.49Å; A70-K72 PolarHBondContact O-N 2.97Å; K72-L91 HydrophobicContact CB-CD1 4.04Å; K72-L91 HydrophobicContact CB-CD2 4.09Å; K72-L91 HydrophobicContact CD-CD2 3.84Å
73Q97.8Very high96Very high84 Ų8458.4 Ų58.439%0.39332%0.316SS..EExtended strand (participates in β ladder)trans-103144175.6-63.4-178.6-1.500110.7V62 E63 V123 R128V62-Q73 CarbonylContact O-C 3.58Å; V62-Q73 WeakPolarHBondContact O-CA 3.33Å; E63-Q73 HydrophobicContact CB-CG 3.93Å; E63-Q73 HydrophobicContact CG-CG 3.9Å; E63-Q73 PolarHBondContact OE2-NE2 2.66Å; Q73-V123 HydrophobicContact CG-CG2 3.97Å; Q73-R128 PolarHBondContact NE2-O 2.78Å
74G96.7Very high95.9Very high13 Ų1358 Ų5813%0.13432%0.315CS..EExtended strand (participates in β ladder)trans-157.9170.2178.500000112.1V62V62-G74 WeakPolarHBondContact CG2-O 3.24Å; V62-G74 PolarHBondContact N-O 3.27Å; V62-G74 PolarHBondContact O-N 3.17Å
75K96.6Very high95.9Very high136 Ų13660.9 Ų60.959%0.59133%0.326SS*.EExtended strand (participates in β ladder)trans-91139.9176.6-71.9-171.9176.6-172.40111.1D60 V77 V88 G89D60-K75 CarbonylContact O-C 3.6Å; D60-K75 VanDerWaalsContact O-CA 3.31Å; D60-K75 WeakPolarHBondContact O-CA 3.31Å; K75-V77 PolarHBondContact O-N 3.23Å; K75-V88 WeakPolarHBondContact O-CA 3.31Å; K75-G89 PolarHBondContact O-N 3.12Å
76V96.9Very high95.8Very high4 Ų457.5 Ų57.52%0.02431%0.308CS..EExtended strand (participates in β ladder)trans-71.5121.3173.7178.70000109.6F57 C58 G59 D60 V62 V79 V86 V87F57-V76 WeakPolarHBondContact O-CB 3.47Å; C58-V76 CarbonylContact C-O 3.5Å; C58-V76 WeakPolarHBondContact CA-O 3.3Å; G59-V76 PolarHBondContact N-O 3.12Å; D60-V76 HydrophobicContact CB-CG2 4.29Å; D60-V76 PolarHBondContact O-N 3.49Å; V62-V76 HydrophobicContact CB-CG2 4.33Å; V62-V76 HydrophobicContact CG1-CG2 3.65Å; V62-V76 HydrophobicContact CG2-CG2 3.67Å; V76-V79 HydrophobicContact CG1-CG2 3.66Å; V76-V86 HydrophobicContact CB-CG1 4.3Å; V76-V86 HydrophobicContact CG1-CG1 3.57Å; V76-V86 HydrophobicContact CG2-CG1 3.79Å; V76-V87 WeakPolarHBondContact CA-O 3.14Å
77V94.7Very high95.9Very high85 Ų8553.1 Ų53.152%0.51529%0.288SS..EExtended strand (participates in β ladder)trans-94.6-39.5179.5177.40000111.1K75 V87K75-V77 PolarHBondContact O-N 3.23Å; V77-V87 PolarHBondContact N-O 2.87Å
78Q93.7Very high96Very high61 Ų6150.2 Ų50.229%0.28526%0.258SS..EExtended strand (participates in β ladder)trans-144.2143.2-176.5-168.7-178.711.500111.3M23 I80 V87M23-Q78 PolarHBondContact O-NE2 2.95Å; M23-Q78 PolarHBondContact O-OE1 3.3Å; Q78-I80 HydrophobicContact CG-CG1 4.32Å; Q78-V87 HydrophobicContact CB-CB 4Å; Q78-V87 HydrophobicContact CB-CG2 4.14Å; Q78-V87 PolarHBondContact N-O 3Å; Q78-V87 PolarHBondContact O-N 3.13Å
79V95.1Very high96.1Very high35 Ų3544.2 Ų44.221%0.21224%0.239CC..EExtended strand (participates in β ladder)trans-123.4131.5174.51740000109.8W54 V76 R81W54-V79 HydrophobicContact CH2-CG1 4.22Å; W54-V79 HydrophobicContact CZ2-CG1 3.3Å; V76-V79 HydrophobicContact CG1-CG2 3.66Å; V79-R81 HydrophobicContact CG1-CG 3.97Å
80I94.5Very high96Very high9 Ų946.2 Ų46.25%0.04626%0.262CS..EExtended strand (participates in β ladder)trans-127.288.3179.4-53.3154.2000108.1M23 Q78 Q82 R83 N84 W85M23-I80 HydrophobicContact CB-CD1 4.25Å; M23-I80 HydrophobicContact CG-CD1 3.92Å; Q78-I80 HydrophobicContact CG-CG1 4.32Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.09Å; I80-R83 HydrophobicContact CG2-CB 4.33Å; I80-R83 HydrophobicContact CG2-CG 4.37Å; I80-R83 PolarHBondContact O-N 2.63Å; I80-N84 PolarHBondContact O-N 2.72Å; I80-W85 HydrophobicContact CB-CB 4.08Å; I80-W85 HydrophobicContact CD1-CB 4.33Å; I80-W85 HydrophobicContact CD1-CE3 4.09Å; I80-W85 PolarHBondContact N-O 2.83Å; I80-W85 PolarHBondContact O-N 3.04Å
81R93.8Very high96Very high61 Ų6144.7 Ų44.723%0.2325%0.247CC..G310 helixtrans-62-35.6-172.1-65.3-172.2170.4-177.3-5.4113.6D51 W54 V79 R83 N84D51-R81 VanDerWaalsContact CG-NH1 3.33Å; D51-R81 WeakPolarHBondContact OD1-CD 3.49Å; D51-R81 IonicContact OD1-CZ 3.53Å; D51-R81 IonicContact OD1-NE 3.02Å; D51-R81 IonicContact OD1-NH1 2.72Å; D51-R81 PolarHBondContact OD1-NH1 2.63Å; W54-R81 VanDerWaalsContact CD1-NH2 3.31Å; W54-R81 HydrophobicContact CD2-CG 3.89Å; W54-R81 HydrophobicContact CE3-CB 4.4Å; W54-R81 HydrophobicContact CE3-CG 4.02Å; W54-R81 HydrophobicContact CG-CG 4.41Å; W54-R81 HydrophobicContact CZ2-CG 4.38Å; W54-R81 HydrophobicContact CZ3-CB 4.48Å; W54-R81 HydrophobicContact CZ3-CG 4.34Å; V79-R81 HydrophobicContact CG1-CG 3.97Å; R81-R83 PolarHBondContact O-N 3.26Å; R81-N84 PolarHBondContact O-N 3.19Å; R81-N84 PolarHBondContact O-OD1 2.82Å
82Q91.9Very high96Very high86 Ų8644.4 Ų44.440%0.40223%0.233SC..G310 helixtrans-64.9-13.2-178.8-58.885.2-1.100113.6Y21 I80Y21-Q82 HydrophobicContact CD1-CB 3.71Å; Y21-Q82 HydrophobicContact CD1-CG 3.8Å; Y21-Q82 HydrophobicContact CD2-CB 3.55Å; Y21-Q82 HydrophobicContact CD2-CG 4.17Å; Y21-Q82 HydrophobicContact CE1-CB 3.91Å; Y21-Q82 HydrophobicContact CE1-CG 3.52Å; Y21-Q82 HydrophobicContact CE2-CB 3.74Å; Y21-Q82 HydrophobicContact CE2-CG 3.9Å; Y21-Q82 HydrophobicContact CG-CB 3.54Å; Y21-Q82 HydrophobicContact CG-CG 4.13Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.09Å
83R93.8Very high95.9Very high22 Ų2240.9 Ų40.98%0.08322%0.221CC..G310 helixtrans-1202.5176.1-65.6-63.3-173.3152.5-16.9113.1Y21 V44 I80 R81 W85Y21-R83 PolarHBondContact O-NE 3.32Å; V44-R83 VanDerWaalsContact CG2-NH1 3.26Å; V44-R83 VanDerWaalsContact CG2-NH2 3.25Å; I80-R83 HydrophobicContact CG2-CB 4.33Å; I80-R83 HydrophobicContact CG2-CG 4.37Å; I80-R83 PolarHBondContact O-N 2.63Å; R81-R83 PolarHBondContact O-N 3.26Å; R83-W85 HydrophobicContact CB-CB 4.16Å; R83-W85 HydrophobicContact CB-CD2 3.5Å; R83-W85 HydrophobicContact CB-CE3 3.8Å; R83-W85 HydrophobicContact CB-CG 3.68Å; R83-W85 HydrophobicContact CB-CZ2 4.48Å; R83-W85 HydrophobicContact CB-CZ3 4.4Å; R83-W85 HydrophobicContact CG-CD2 4.19Å; R83-W85 HydrophobicContact CG-CE3 4.03Å; R83-W85 HydrophobicContact CG-CH2 4.48Å; R83-W85 HydrophobicContact CG-CZ3 4.19Å; R83-W85 PolarHBondContact O-N 3.24Å
84N96.6Very high95.7Very high24 Ų2441 Ų4113%0.12822%0.221CC..THydrogen-bonded Turntrans50.439.3-167.9-54.7-36.8000111.7E47 P48 I49 W54 I80 R81 L116 H117E47-N84 PolarHBondContact O-ND2 3.45Å; P48-N84 WeakPolarHBondContact CA-OD1 3.44Å; I49-N84 HydrophobicContact CD1-CB 4.4Å; I49-N84 PolarHBondContact N-OD1 3.44Å; W54-N84 HydrophobicContact CZ3-CB 4.25Å; I80-N84 PolarHBondContact O-N 2.72Å; R81-N84 PolarHBondContact O-N 3.19Å; R81-N84 PolarHBondContact O-OD1 2.82Å; N84-L116 CarbonylContact O-C 3.47Å; N84-L116 WeakPolarHBondContact O-CA 3.46Å; N84-H117 HydrophobicContact CB-CB 4.22Å; N84-H117 PolarHBondContact O-N 3.18Å
85W96.9Very high95.7Very high62 Ų6247.5 Ų47.524%0.23524%0.243CC..EExtended strand (participates in β ladder)trans-101.9143.5-177.2-78-11.9000112.1I80 R83 P114 L115I80-W85 HydrophobicContact CB-CB 4.08Å; I80-W85 HydrophobicContact CD1-CB 4.33Å; I80-W85 HydrophobicContact CD1-CE3 4.09Å; I80-W85 PolarHBondContact N-O 2.83Å; I80-W85 PolarHBondContact O-N 3.04Å; R83-W85 HydrophobicContact CB-CB 4.16Å; R83-W85 HydrophobicContact CB-CD2 3.5Å; R83-W85 HydrophobicContact CB-CE3 3.8Å; R83-W85 HydrophobicContact CB-CG 3.68Å; R83-W85 HydrophobicContact CB-CZ2 4.48Å; R83-W85 HydrophobicContact CB-CZ3 4.4Å; R83-W85 HydrophobicContact CG-CD2 4.19Å; R83-W85 HydrophobicContact CG-CE3 4.03Å; R83-W85 HydrophobicContact CG-CH2 4.48Å; R83-W85 HydrophobicContact CG-CZ3 4.19Å; R83-W85 PolarHBondContact O-N 3.24Å; W85-P114 HydrophobicContact CB-CB 3.87Å; W85-P114 HydrophobicContact CD2-CB 3.86Å; W85-P114 HydrophobicContact CD2-CG 3.86Å; W85-P114 HydrophobicContact CE3-CB 4.09Å; W85-P114 HydrophobicContact CE3-CG 3.89Å; W85-P114 HydrophobicContact CG-CB 3.77Å; W85-P114 HydrophobicContact CG-CG 4.28Å; W85-P114 HydrophobicContact CZ3-CG 4.27Å; W85-L115 CarbonylContact C-O 3.57Å; W85-L115 VanDerWaalsContact CA-O 3.27Å; W85-L115 WeakPolarHBondContact CA-O 3.28Å
86V97.4Very high95.5Very high0 Ų046.7 Ų46.70%024%0.236CC..EExtended strand (participates in β ladder)trans-134.8132.9177.5-175.70000108.1W54 L56 V76 V88 L115W54-V86 HydrophobicContact CH2-CG2 4.35Å; W54-V86 HydrophobicContact CZ2-CG2 4.03Å; L56-V86 HydrophobicContact CD1-CG2 3.83Å; V76-V86 HydrophobicContact CB-CG1 4.3Å; V76-V86 HydrophobicContact CG1-CG1 3.57Å; V76-V86 HydrophobicContact CG2-CG1 3.79Å; V86-V88 HydrophobicContact CG1-CG2 4.45Å; V86-L115 PolarHBondContact N-O 2.82Å; V86-L115 PolarHBondContact O-N 3.39Å
87V97.2Very high95.4Very high4 Ų453.5 Ų53.52%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-109.2127.6177.3-1780000107.9M23 V76 V77 Q78 E112 P114M23-V87 HydrophobicContact SD-CG2 4.23Å; V76-V87 WeakPolarHBondContact CA-O 3.14Å; V77-V87 PolarHBondContact N-O 2.87Å; Q78-V87 HydrophobicContact CB-CB 4Å; Q78-V87 HydrophobicContact CB-CG2 4.14Å; Q78-V87 PolarHBondContact N-O 3Å; Q78-V87 PolarHBondContact O-N 3.13Å; V87-E112 HydrophobicContact CG1-CB 3.71Å; V87-E112 WeakPolarHBondContact CG1-OE2 3.46Å; V87-P114 HydrophobicContact CG2-CB 4.05Å
88V97.6Very high95.3Very high1 Ų153 Ų531%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-111.4131-177.6-173.60000109V62 K75 V86 G90 L91 L115V62-V88 HydrophobicContact CG2-CG1 4.06Å; V62-V88 HydrophobicContact CG2-CG2 3.72Å; K75-V88 WeakPolarHBondContact O-CA 3.31Å; V86-V88 HydrophobicContact CG1-CG2 4.45Å; V88-G90 PolarHBondContact O-N 2.91Å; V88-L91 HydrophobicContact CB-CB 4.32Å; V88-L91 HydrophobicContact CG1-CB 4.26Å; V88-L91 HydrophobicContact CG1-CD1 3.82Å; V88-L91 HydrophobicContact CG1-CG 4.34Å; V88-L91 PolarHBondContact O-N 2.84Å; V88-L115 HydrophobicContact CG2-CD1 4.21Å
89G96.5Very high95.1Very high26 Ų2652.4 Ų52.427%0.26827%0.266SS..THydrogen-bonded Turntrans-60.7127-172.900000112.5K75 L91 E112K75-G89 PolarHBondContact O-N 3.12Å; G89-L91 PolarHBondContact O-N 2.88Å; G89-L91 VanDerWaalsContact O-N 3.12Å; G89-E112 VanDerWaalsContact CA-OE1 3.31Å; G89-E112 WeakPolarHBondContact CA-OE1 3.42Å
90G95.7Very high95Very high52 Ų5258.6 Ų58.654%0.53629%0.29SS..THydrogen-bonded Turntrans66.53.9178.900000115.7V88 E112V88-G90 PolarHBondContact O-N 2.91Å; G90-E112 PolarHBondContact N-OE1 3Å
91L97.2Very high95Very high19 Ų1962.6 Ų62.610%0.09932%0.315CS..  trans-116.5161.7-178.1-61.1-179.3000111.3I64 D69 K72 V88 G89 T93I64-L91 HydrophobicContact CD1-CB 3.71Å; I64-L91 HydrophobicContact CD1-CD1 3.7Å; I64-L91 HydrophobicContact CD1-CG 4.3Å; I64-L91 HydrophobicContact CG1-CD1 4.43Å; D69-L91 HydrophobicContact CB-CB 4.49Å; D69-L91 HydrophobicContact CB-CD2 4.3Å; K72-L91 HydrophobicContact CB-CD1 4.04Å; K72-L91 HydrophobicContact CB-CD2 4.09Å; K72-L91 HydrophobicContact CD-CD2 3.84Å; V88-L91 HydrophobicContact CB-CB 4.32Å; V88-L91 HydrophobicContact CG1-CB 4.26Å; V88-L91 HydrophobicContact CG1-CD1 3.82Å; V88-L91 HydrophobicContact CG1-CG 4.34Å; V88-L91 PolarHBondContact O-N 2.84Å; G89-L91 PolarHBondContact O-N 2.88Å; G89-L91 VanDerWaalsContact O-N 3.12Å; L91-T93 PolarHBondContact O-N 2.64Å
92N96.8Very high94.9Very high43 Ų4368.4 Ų68.423%0.2335%0.347CS..SBendtrans5142.6-174.3-166.836.8000112.5D69 A113 P114 L115D69-N92 WeakPolarHBondContact OD2-CA 3.21Å; D69-N92 PolarHBondContact OD2-N 2.82Å; N92-A113 PolarHBondContact ND2-O 2.85Å; N92-A113 VanDerWaalsContact O-CB 3.31Å; N92-A113 WeakPolarHBondContact O-CB 3.24Å; N92-A113 PolarHBondContact O-N 3.48Å; N92-P114 PolarHBondContact ND2-O 2.84Å; N92-L115 HydrophobicContact CB-CD1 4.19Å; N92-L115 HydrophobicContact CB-CD2 4.01Å; N92-L115 HydrophobicContact CB-CG 4.04Å; N92-L115 VanDerWaalsContact ND2-CD2 3.29Å; N92-L115 WeakPolarHBondContact ND2-CD2 3.45Å
93T96Very high95.1Very high32 Ų3271.7 Ų71.720%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-87.5144-172.763.50000112.6L91 S111 E112L91-T93 PolarHBondContact O-N 2.64Å; T93-S111 CarbonylContact C-O 3.31Å; T93-S111 VanDerWaalsContact CA-O 3.29Å; T93-S111 WeakPolarHBondContact CA-O 3.26Å; T93-E112 HydrophobicContact CG2-CG 4.12Å
94H95.1Very high95.1Very high86 Ų8676.2 Ų76.240%0.39839%0.385SS..EExtended strand (participates in β ladder)trans-121.6148.3166.163.5-74.2000109.7S111H94-S111 PolarHBondContact CE1-O 2.81Å; H94-S111 PolarHBondContact N-O 2.96Å; H94-S111 PolarHBondContact ND1-O 3Å; H94-S111 PolarHBondContact O-N 3.34Å
95Y95.3Very high94.8Very high149 Ų14985.5 Ų85.558%0.58442%0.419SS*.EExtended strand (participates in β ladder)trans-81.5134.4177.1-68.5-77.1000110.8M108 P110Y95-M108 HydrophobicContact CD1-CE 4.19Å; Y95-M108 HydrophobicContact CD1-CG 3.94Å; Y95-M108 HydrophobicContact CD1-SD 4.29Å; Y95-M108 HydrophobicContact CE1-CE 4.44Å; Y95-M108 HydrophobicContact CG-CG 4.22Å; Y95-M108 HydrophobicContact CG-SD 4.24Å; Y95-P110 HydrophobicContact CD1-CB 4.25Å; Y95-P110 HydrophobicContact CE1-CB 4Å
96R92.6Very high94.7Very high120 Ų12083 Ų8345%0.45341%0.413SS..EExtended strand (participates in β ladder)trans-131.3146.1171.659176.6-80.1139.8-3.9110.5I98 I109 S111R96-I98 HydrophobicContact CG-CD1 4.38Å; R96-I98 HydrophobicContact CG-CG1 4.24Å; R96-I109 PolarHBondContact N-O 2.76Å; R96-I109 PolarHBondContact O-N 2.82Å; R96-S111 VanDerWaalsContact CD-CB 3.5Å
97Y94.2Very high94.6Very high146 Ų14686.3 Ų86.357%0.57343%0.432SS*.EExtended strand (participates in β ladder)trans-85.1131.7171.2-70.3-89.8000110T107 M108Y97-T107 WeakPolarHBondContact CA-O 3.44Å; Y97-M108 HydrophobicContact CD1-CB 4.14Å; Y97-M108 HydrophobicContact CE1-CB 3.75Å; Y97-M108 HydrophobicContact CE1-CG 4.32Å; Y97-M108 HydrophobicContact CE2-CG 4.47Å
98I92.7Very high94.5Very high74 Ų7490.8 Ų90.838%0.37945%0.454SS..EExtended strand (participates in β ladder)trans-119.6144.1177.3-57.4-173.2000109.1R96 G106 T107 I109R96-I98 HydrophobicContact CG-CD1 4.38Å; R96-I98 HydrophobicContact CG-CG1 4.24Å; I98-G106 CarbonylContact O-C 3.57Å; I98-G106 VanDerWaalsContact O-CA 3.28Å; I98-G106 WeakPolarHBondContact O-CA 3.18Å; I98-T107 PolarHBondContact N-O 3.17Å; I98-T107 PolarHBondContact O-N 2.93Å; I98-I109 HydrophobicContact CB-CD1 4.23Å; I98-I109 HydrophobicContact CD1-CB 4.39Å; I98-I109 HydrophobicContact CD1-CD1 4.03Å; I98-I109 HydrophobicContact CG1-CD1 4.35Å
99G91.1Very high94.4Very high49 Ų4994 Ų9451%0.50547%0.471SS..SBendtrans74.425.1174.900000114.8T101 Y104G99-T101 PolarHBondContact O-N 3.38Å; G99-Y104 WeakPolarHBondContact O-CD1 3.37Å
100K92.7Very high94.4Very high166 Ų16696.3 Ų96.372%0.72248%0.481SS*.  trans-63.8127.6176.4-175.2-179.8178.7-176.80110.6Y104K100-Y104 WeakPolarHBondContact CA-O 3.38Å
101T93.7Very high94.3Very high92 Ų9295.3 Ų95.356%0.56447%0.466SS*.  trans-125.7177.1174.2-52.50000108.7G99 D103 Y104G99-T101 PolarHBondContact O-N 3.38Å; T101-D103 VanDerWaalsContact C-N 3.29Å; T101-D103 PolarHBondContact O-N 3.48Å; T101-Y104 PolarHBondContact N-O 3.18Å; T101-Y104 PolarHBondContact O-N 3.3Å
102M92.7Very high94.2Very high183 Ų18397.2 Ų97.290%0.90147%0.474SS*.SBendtrans-56.7-43.8177.1-171164.5179.200111.8
103D95.1Very high94.2Very high156 Ų15696.2 Ų96.283%0.83447%0.472SS*.SBendtrans-93.2-13.1-176.8-51.3-48.5000114.1T101T101-D103 VanDerWaalsContact C-N 3.29Å; T101-D103 PolarHBondContact O-N 3.48Å
104Y94.3Very high94.2Very high116 Ų11696.3 Ų96.346%0.45547%0.473SS..  trans-123.1122.4-176-178.8-123.8000111.8G99 K100 T101 G106 T107G99-Y104 WeakPolarHBondContact O-CD1 3.37Å; K100-Y104 WeakPolarHBondContact CA-O 3.38Å; T101-Y104 PolarHBondContact N-O 3.18Å; T101-Y104 PolarHBondContact O-N 3.3Å; Y104-G106 VanDerWaalsContact CZ-C 3.47Å; Y104-G106 PolarHBondContact O-N 2.73Å; Y104-G106 VanDerWaalsContact O-N 3.12Å; Y104-T107 PolarHBondContact OH-N 2.88Å; Y104-T107 PolarHBondContact OH-OG1 3.09Å
105R89.5Confident94.3Very high220 Ų22092.6 Ų92.683%0.8346%0.456SS*.  trans-64.5-16.7-179.2-68.3-172.6179.9-168.21.2113.7
106G94.7Very high94.4Very high10 Ų1088.2 Ų88.210%0.10344%0.442CS..  trans95.6161.4-175.800000112.5I98 Y104I98-G106 CarbonylContact O-C 3.57Å; I98-G106 VanDerWaalsContact O-CA 3.28Å; I98-G106 WeakPolarHBondContact O-CA 3.18Å; Y104-G106 VanDerWaalsContact CZ-C 3.47Å; Y104-G106 PolarHBondContact O-N 2.73Å; Y104-G106 VanDerWaalsContact O-N 3.12Å
107T96.4Very high94.6Very high68 Ų6883.4 Ų83.442%0.41743%0.425SS..EExtended strand (participates in β ladder)trans-90.9130.4173.7-43.20000109.6Y97 I98 Y104 I109Y97-T107 WeakPolarHBondContact CA-O 3.44Å; I98-T107 PolarHBondContact N-O 3.17Å; I98-T107 PolarHBondContact O-N 2.93Å; Y104-T107 PolarHBondContact OH-N 2.88Å; Y104-T107 PolarHBondContact OH-OG1 3.09Å; T107-I109 HydrophobicContact CG2-CD1 4.27Å; T107-I109 HydrophobicContact CG2-CG1 3.96Å; T107-I109 PolarHBondContact O-N 3.12Å
108M95.4Very high94.7Very high98 Ų9885.4 Ų85.448%0.48343%0.432SS..EExtended strand (participates in β ladder)trans-79.2115.7172.8-170.1173.872.900109.5Y95 Y97Y95-M108 HydrophobicContact CD1-CE 4.19Å; Y95-M108 HydrophobicContact CD1-CG 3.94Å; Y95-M108 HydrophobicContact CD1-SD 4.29Å; Y95-M108 HydrophobicContact CE1-CE 4.44Å; Y95-M108 HydrophobicContact CG-CG 4.22Å; Y95-M108 HydrophobicContact CG-SD 4.24Å; Y97-M108 HydrophobicContact CD1-CB 4.14Å; Y97-M108 HydrophobicContact CE1-CB 3.75Å; Y97-M108 HydrophobicContact CE1-CG 4.32Å; Y97-M108 HydrophobicContact CE2-CG 4.47Å
109I95.4Very high95Very high68 Ų6883.4 Ų83.435%0.34942%0.421SS..EExtended strand (participates in β ladder)trans-125135.1-175.5-63.3173.7000109.1R96 I98 T107 S111R96-I109 PolarHBondContact N-O 2.76Å; R96-I109 PolarHBondContact O-N 2.82Å; I98-I109 HydrophobicContact CB-CD1 4.23Å; I98-I109 HydrophobicContact CD1-CB 4.39Å; I98-I109 HydrophobicContact CD1-CD1 4.03Å; I98-I109 HydrophobicContact CG1-CD1 4.35Å; T107-I109 HydrophobicContact CG2-CD1 4.27Å; T107-I109 HydrophobicContact CG2-CG1 3.96Å; T107-I109 PolarHBondContact O-N 3.12Å; I109-S111 PolarHBondContact O-N 3.16Å
110P95.8Very high95.3Very high75 Ų7581.1 Ų81.149%0.48740%0.397SS..EExtended strand (participates in β ladder)trans-67.8127.6170.628.9-33.3000109.8Y95Y95-P110 HydrophobicContact CD1-CB 4.25Å; Y95-P110 HydrophobicContact CE1-CB 4Å
111S94.1Very high95.5Very high31 Ų3175.5 Ų75.522%0.21737%0.372CS..EExtended strand (participates in β ladder)trans-117.8127.9176.1-176.30000109.3T93 H94 R96 I109T93-S111 CarbonylContact C-O 3.31Å; T93-S111 VanDerWaalsContact CA-O 3.29Å; T93-S111 WeakPolarHBondContact CA-O 3.26Å; H94-S111 PolarHBondContact CE1-O 2.81Å; H94-S111 PolarHBondContact N-O 2.96Å; H94-S111 PolarHBondContact ND1-O 3Å; H94-S111 PolarHBondContact O-N 3.34Å; R96-S111 VanDerWaalsContact CD-CB 3.5Å; I109-S111 PolarHBondContact O-N 3.16Å
112E95.4Very high95.7Very high60 Ų6071.1 Ų71.128%0.2835%0.346SS..EExtended strand (participates in β ladder)trans-63.7143173.8-63.4161.9-167.800110.1V87 G89 G90 T93V87-E112 HydrophobicContact CG1-CB 3.71Å; V87-E112 WeakPolarHBondContact CG1-OE2 3.46Å; G89-E112 VanDerWaalsContact CA-OE1 3.31Å; G89-E112 WeakPolarHBondContact CA-OE1 3.42Å; G90-E112 PolarHBondContact N-OE1 3Å; T93-E112 HydrophobicContact CG2-CG 4.12Å
113A96.1Very high95.9Very high21 Ų2163.2 Ų63.217%0.17431%0.307CS..  trans-116.3149.6172.300000110N92N92-A113 PolarHBondContact ND2-O 2.85Å; N92-A113 VanDerWaalsContact O-CB 3.31Å; N92-A113 WeakPolarHBondContact O-CB 3.24Å; N92-A113 PolarHBondContact O-N 3.48Å
114P96.8Very high96Very high34 Ų3455.8 Ų55.822%0.22127%0.268CS..PPolyproline II helixtrans-71.2144.6-177.830.4-31.8000110.8M23 W85 V87 N92M23-P114 HydrophobicContact CG-CG 4.46Å; M23-P114 HydrophobicContact SD-CG 4.19Å; W85-P114 HydrophobicContact CB-CB 3.87Å; W85-P114 HydrophobicContact CD2-CB 3.86Å; W85-P114 HydrophobicContact CD2-CG 3.86Å; W85-P114 HydrophobicContact CE3-CB 4.09Å; W85-P114 HydrophobicContact CE3-CG 3.89Å; W85-P114 HydrophobicContact CG-CB 3.77Å; W85-P114 HydrophobicContact CG-CG 4.28Å; W85-P114 HydrophobicContact CZ3-CG 4.27Å; V87-P114 HydrophobicContact CG2-CB 4.05Å; N92-P114 PolarHBondContact ND2-O 2.84Å
115L97.4Very high95.9Very high9 Ų953.7 Ų53.75%0.04727%0.268CS..EExtended strand (participates in β ladder)trans-103.6156.8167.6-66.5166.6000109.2I64 W85 V86 V88 N92 V120I64-L115 HydrophobicContact CD1-CD1 3.58Å; I64-L115 HydrophobicContact CG1-CD1 3.72Å; I64-L115 HydrophobicContact CG2-CD1 4.26Å; W85-L115 CarbonylContact C-O 3.57Å; W85-L115 VanDerWaalsContact CA-O 3.27Å; W85-L115 WeakPolarHBondContact CA-O 3.28Å; V86-L115 PolarHBondContact N-O 2.82Å; V86-L115 PolarHBondContact O-N 3.39Å; V88-L115 HydrophobicContact CG2-CD1 4.21Å; N92-L115 HydrophobicContact CB-CD1 4.19Å; N92-L115 HydrophobicContact CB-CD2 4.01Å; N92-L115 HydrophobicContact CB-CG 4.04Å; N92-L115 VanDerWaalsContact ND2-CD2 3.29Å; N92-L115 WeakPolarHBondContact ND2-CD2 3.45Å; L115-V120 HydrophobicContact CB-CG2 3.93Å; L115-V120 HydrophobicContact CD1-CG2 3.79Å; L115-V120 HydrophobicContact CG-CG2 4.5Å
116L97.1Very high96.1Very high56 Ų5648.1 Ų48.129%0.29325%0.253SS..EExtended strand (participates in β ladder)trans-76.9147.8170.8-68.2164.2000110N84 R118 Q119N84-L116 CarbonylContact O-C 3.47Å; N84-L116 WeakPolarHBondContact O-CA 3.46Å; L116-R118 HydrophobicContact CB-CG 4.16Å; L116-R118 PolarHBondContact O-N 2.8Å; L116-R118 VanDerWaalsContact O-N 3.12Å; L116-Q119 HydrophobicContact CB-CG 3.96Å; L116-Q119 WeakPolarHBondContact O-CB 3.43Å; L116-Q119 PolarHBondContact O-N 2.99Å
117H96.7Very high96.1Very high19 Ų1950.1 Ų50.19%0.08826%0.261CS..G310 helixtrans-48.6-41.5177.1177.1-81.1000112.9I49 W54 Y55 N84 Q119 V120I49-H117 HydrophobicContact CD1-CB 4.1Å; W54-H117 HydrophobicContact CH2-CB 4.09Å; W54-H117 AromaticContact CH2-CD2 3.65Å; W54-H117 AromaticContact CZ2-CD2 3.79Å; W54-H117 HydrophobicContact CZ3-CB 4.43Å; W54-H117 AromaticContact CZ3-CD2 3.9Å; Y55-H117 AromaticContact CD1-NE2 4Å; Y55-H117 AromaticContact CE1-CE1 3.33Å; Y55-H117 WeakPolarHBondContact CE1-CE1 3.44Å; Y55-H117 AromaticContact CE1-NE2 3.59Å; Y55-H117 AromaticContact CZ-CE1 3.33Å; Y55-H117 AromaticContact CZ-NE2 3.59Å; Y55-H117 PolarHBondContact OH-CE1 3.42Å; Y55-H117 VanDerWaalsContact OH-CE1 3.24Å; N84-H117 HydrophobicContact CB-CB 4.22Å; N84-H117 PolarHBondContact O-N 3.18Å; H117-Q119 PolarHBondContact O-N 3.25Å; H117-V120 PolarHBondContact O-N 3.28Å; H117-V120 VanDerWaalsContact O-O 3.08Å
118R96.2Very high96Very high189 Ų18955.9 Ų55.971%0.71328%0.275SS*.G310 helixtrans-67.6-18179.470.5-177.8-174.3-177.92.2115.1L116 V120L116-R118 HydrophobicContact CB-CG 4.16Å; L116-R118 PolarHBondContact O-N 2.8Å; L116-R118 VanDerWaalsContact O-N 3.12Å; R118-V120 VanDerWaalsContact C-N 3.25Å
119Q97.4Very high96Very high32 Ų3256.7 Ų56.715%0.1528%0.276CS..G310 helixtrans-87.4-1.1-175.9-60-180-43.600112.2L65 E66 L116 H117L65-Q119 PolarHBondContact N-O 2.78Å; E66-Q119 HydrophobicContact CG-CB 3.94Å; E66-Q119 HydrophobicContact CG-CG 3.7Å; E66-Q119 VanDerWaalsContact OE1-CD 3.32Å; E66-Q119 WeakPolarHBondContact OE1-CG 3.33Å; E66-Q119 PolarHBondContact OE1-NE2 2.84Å; L116-Q119 HydrophobicContact CB-CG 3.96Å; L116-Q119 WeakPolarHBondContact O-CB 3.43Å; L116-Q119 PolarHBondContact O-N 2.99Å; H117-Q119 PolarHBondContact O-N 3.25Å
120V97.9Very high96.1Very high1 Ų155.4 Ų55.41%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-137.6136.4-167.7-179.90000108.4V62 E63 L115 H117 R118V62-V120 HydrophobicContact CB-CG1 3.31Å; V62-V120 HydrophobicContact CG1-CG1 3.73Å; V62-V120 HydrophobicContact CG2-CG1 3.47Å; V62-V120 VanDerWaalsContact CG2-CG1 3.47Å; E63-V120 WeakPolarHBondContact O-CA 3.34Å; L115-V120 HydrophobicContact CB-CG2 3.93Å; L115-V120 HydrophobicContact CD1-CG2 3.79Å; L115-V120 HydrophobicContact CG-CG2 4.5Å; H117-V120 PolarHBondContact O-N 3.28Å; H117-V120 VanDerWaalsContact O-O 3.08Å; R118-V120 VanDerWaalsContact C-N 3.25Å
121K97.7Very high96.2Very high47 Ų4752 Ų5220%0.20425%0.25CS..EExtended strand (participates in β ladder)trans-123.3150.9174.7-83.1-177.6178179.50111.3V62 E63 L65 P130 E132V62-K121 CarbonylContact C-O 3.53Å; V62-K121 WeakPolarHBondContact CA-O 3.43Å; V62-K121 VanDerWaalsContact CB-O 3.28Å; V62-K121 WeakPolarHBondContact CB-O 3.36Å; E63-K121 PolarHBondContact N-O 3.28Å; E63-K121 PolarHBondContact O-N 3.12Å; L65-K121 HydrophobicContact CD1-CD 3.84Å; L65-K121 HydrophobicContact CD1-CG 3.89Å; L65-K121 HydrophobicContact CD2-CB 4.46Å; L65-K121 HydrophobicContact CD2-CD 4.17Å; L65-K121 HydrophobicContact CD2-CG 4.42Å; L65-K121 HydrophobicContact CG-CD 4.49Å; L65-K121 HydrophobicContact CG-CG 4.4Å; K121-P130 HydrophobicContact CB-CB 3.85Å; K121-P130 HydrophobicContact CD-CB 4.26Å; K121-E132 VanDerWaalsContact CE-CD 3.48Å; K121-E132 WeakPolarHBondContact CE-OE1 3.43Å; K121-E132 VanDerWaalsContact NZ-CD 3.3Å; K121-E132 IonicContact NZ-OE1 2.74Å; K121-E132 PolarHBondContact NZ-OE1 3.48Å; K121-E132 IonicContact NZ-OE2 2.59Å
122L97.5Very high96.3Very high1 Ų155.3 Ų55.31%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-65.7146.6169.1-75.6176.3000109.7Y55 L56 D60 V62 P130 T131 I133 I154Y55-L122 HydrophobicContact CD2-CD1 4.01Å; Y55-L122 HydrophobicContact CD2-CG 4.37Å; L56-L122 HydrophobicContact CD2-CD1 4.43Å; L56-L122 HydrophobicContact CD2-CD2 3.71Å; L56-L122 HydrophobicContact CD2-CG 3.69Å; D60-L122 HydrophobicContact CB-CD2 3.57Å; V62-L122 HydrophobicContact CG1-CD2 3.86Å; L122-P130 WeakPolarHBondContact O-CA 3.48Å; L122-T131 PolarHBondContact O-N 3.42Å; L122-T131 PolarHBondContact O-OG1 3.35Å; L122-I133 HydrophobicContact CB-CD1 4.04Å; L122-I133 HydrophobicContact CB-CG1 4.28Å; L122-I133 HydrophobicContact CD1-CD1 3.81Å; L122-I133 HydrophobicContact CD1-CG1 3.88Å; L122-I133 HydrophobicContact CG-CD1 4.48Å; L122-I133 HydrophobicContact CG-CG1 4.45Å; L122-I154 HydrophobicContact CB-CD1 4.09Å; L122-I154 HydrophobicContact CD1-CD1 4.24Å; L122-I154 HydrophobicContact CD1-CG2 4.36Å
123V97.1Very high96.3Very high16 Ų1653.7 Ų53.710%0.09726%0.255CS..EExtended strand (participates in β ladder)trans-90.4130.4173.7175.20000108.6T61 E63 Q73 R128T61-V123 HydrophobicContact CG2-CB 4.25Å; T61-V123 HydrophobicContact CG2-CG2 4.18Å; T61-V123 PolarHBondContact O-N 3.47Å; T61-V123 VanDerWaalsContact O-N 3.12Å; E63-V123 HydrophobicContact CB-CG2 4.01Å; Q73-V123 HydrophobicContact CG-CG2 3.97Å; V123-R128 VanDerWaalsContact CG1-CA 3.48Å; V123-R128 HydrophobicContact CG1-CB 4.13Å
124D96.2Very high96.3Very high0 Ų056.9 Ų56.90%027%0.267CS..PPolyproline II helixtrans-65.7130.2175.7-163.7-44.7000110.8M126 D127 R128 K129 T131 S147 S150D124-M126 PolarHBondContact O-N 2.96Å; D124-M126 VanDerWaalsContact OD1-CB 3.32Å; D124-M126 WeakPolarHBondContact OD1-CB 3.36Å; D124-M126 PolarHBondContact OD1-N 2.83Å; D124-D127 VanDerWaalsContact CB-OD1 3.24Å; D124-D127 WeakPolarHBondContact CB-OD1 3.27Å; D124-R128 VanDerWaalsContact O-CA 3.24Å; D124-R128 WeakPolarHBondContact O-CA 3.42Å; D124-R128 PolarHBondContact O-N 3.25Å; D124-K129 PolarHBondContact N-O 2.76Å; D124-T131 HydrophobicContact CB-CG2 3.7Å; D124-S147 WeakPolarHBondContact OD2-CB 3.28Å; D124-S147 PolarHBondContact OD2-OG 3.02Å; D124-S150 PolarHBondContact OD1-OG 3.45Å; D124-S150 WeakPolarHBondContact OD2-CB 3.29Å; D124-S150 PolarHBondContact OD2-N 3.39Å; D124-S150 PolarHBondContact OD2-OG 2.79Å
125P93.5Very high96.2Very high72 Ų7257.6 Ų57.647%0.46827%0.265SS..THydrogen-bonded Turntrans-64-21176.826.4-36.2000113.8R152 I154P125-R152 HydrophobicContact CG-CB 4.4Å; P125-I154 HydrophobicContact CG-CG1 4.49Å
126M94.3Very high96.1Very high104 Ų10462.8 Ų62.851%0.51228%0.284SS..THydrogen-bonded Turntrans-81-53.1-177-164.3173.3-14900112.9D124D124-M126 PolarHBondContact O-N 2.96Å; D124-M126 VanDerWaalsContact OD1-CB 3.32Å; D124-M126 WeakPolarHBondContact OD1-CB 3.36Å; D124-M126 PolarHBondContact OD1-N 2.83Å
127D93.6Very high96Very high51 Ų5167 Ų6727%0.27330%0.3SS..THydrogen-bonded Turntrans-118.90.9-169.86122.4000113.9D124 K129 R149D124-D127 VanDerWaalsContact CB-OD1 3.24Å; D124-D127 WeakPolarHBondContact CB-OD1 3.27Å; D127-K129 PolarHBondContact O-N 2.59Å; D127-K129 PolarHBondContact OD1-N 3.25Å; D127-K129 VanDerWaalsContact OD1-N 3.17Å; D127-R149 IonicContact OD1-NE 3.69Å; D127-R149 IonicContact OD2-CZ 3.58Å; D127-R149 IonicContact OD2-NE 2.66Å; D127-R149 PolarHBondContact OD2-NE 2.9Å; D127-R149 IonicContact OD2-NH2 3.89Å; D127-R149 PolarHBondContact OD2-NH2 3.07Å
128R94.7Very high95.8Very high190 Ų19068.2 Ų68.272%0.71731%0.309SS*.  trans58.228.5176.4-54.7-178.9-179168.2-0.4114Q73 V123 D124Q73-R128 PolarHBondContact NE2-O 2.78Å; V123-R128 VanDerWaalsContact CG1-CA 3.48Å; V123-R128 HydrophobicContact CG1-CB 4.13Å; D124-R128 VanDerWaalsContact O-CA 3.24Å; D124-R128 WeakPolarHBondContact O-CA 3.42Å; D124-R128 PolarHBondContact O-N 3.25Å
129K95.9Very high95.7Very high114 Ų11469.2 Ų69.250%0.49632%0.322SS..  trans-102.8157.4174.4-68.8-176-177.4-176.30110.8D124 D127D124-K129 PolarHBondContact N-O 2.76Å; D127-K129 PolarHBondContact O-N 2.59Å; D127-K129 PolarHBondContact OD1-N 3.25Å; D127-K129 VanDerWaalsContact OD1-N 3.17Å
130P97Very high95.4Very high42 Ų4271.8 Ų71.827%0.27335%0.348SS..EExtended strand (participates in β ladder)trans-67.4137176.327.6-34000110.7E63 L65 K121 L122E63-P130 HydrophobicContact CB-CB 4.17Å; E63-P130 WeakPolarHBondContact OE1-CG 3.37Å; E63-P130 WeakPolarHBondContact OE2-CD 3.08Å; L65-P130 HydrophobicContact CD2-CB 4.29Å; K121-P130 HydrophobicContact CB-CB 3.85Å; K121-P130 HydrophobicContact CD-CB 4.26Å; L122-P130 WeakPolarHBondContact O-CA 3.48Å
131T96.9Very high95.1Very high4 Ų474.2 Ų74.23%0.02537%0.373CS..EExtended strand (participates in β ladder)trans-133.3153.5-175.751.50000114.1L122 D124 S147 R149L122-T131 PolarHBondContact O-N 3.42Å; L122-T131 PolarHBondContact O-OG1 3.35Å; D124-T131 HydrophobicContact CB-CG2 3.7Å; T131-S147 WeakPolarHBondContact CB-OG 3.31Å; T131-S147 WeakPolarHBondContact CG2-OG 3.29Å; T131-S147 PolarHBondContact OG1-OG 2.87Å; T131-R149 HydrophobicContact CG2-CB 3.4Å; T131-R149 VanDerWaalsContact CG2-CD 3.48Å; T131-R149 HydrophobicContact CG2-CG 4.07Å
132E96.3Very high94.8Very high100 Ų10078.2 Ų78.247%0.46739%0.393SS..  trans-79.6152.6164.9-60.7-65.3179.600109.9K121 T148K121-E132 VanDerWaalsContact CE-CD 3.48Å; K121-E132 WeakPolarHBondContact CE-OE1 3.43Å; K121-E132 VanDerWaalsContact NZ-CD 3.3Å; K121-E132 IonicContact NZ-OE1 2.74Å; K121-E132 PolarHBondContact NZ-OE1 3.48Å; K121-E132 IonicContact NZ-OE2 2.59Å; E132-T148 PolarHBondContact O-N 2.76Å; E132-T148 PolarHBondContact O-OG1 3.33Å
133I96.8Very high94.6Very high26 Ų2681.8 Ų81.813%0.13341%0.406CS..EExtended strand (participates in β ladder)trans-123.5133.2-170.7-57.8-67.5000110Y55 L122 R145 V146 I154Y55-I133 HydrophobicContact CD2-CB 4.24Å; Y55-I133 HydrophobicContact CD2-CG1 4.05Å; Y55-I133 HydrophobicContact CD2-CG2 4.48Å; Y55-I133 HydrophobicContact CE2-CG1 4.19Å; Y55-I133 HydrophobicContact CG-CB 4.25Å; Y55-I133 HydrophobicContact CG-CG2 4.23Å; L122-I133 HydrophobicContact CB-CD1 4.04Å; L122-I133 HydrophobicContact CB-CG1 4.28Å; L122-I133 HydrophobicContact CD1-CD1 3.81Å; L122-I133 HydrophobicContact CD1-CG1 3.88Å; L122-I133 HydrophobicContact CG-CD1 4.48Å; L122-I133 HydrophobicContact CG-CG1 4.45Å; I133-R145 HydrophobicContact CG2-CB 3.84Å; I133-R145 HydrophobicContact CG2-CG 4.26Å; I133-V146 WeakPolarHBondContact CA-O 3.46Å; I133-I154 HydrophobicContact CD1-CD1 3.54Å; I133-I154 HydrophobicContact CD1-CG1 4.48Å
134E95.6Very high94.5Very high88 Ų8882.1 Ų82.141%0.41141%0.408SS..EExtended strand (participates in β ladder)trans-115138.5170.8-167.6-178.3-17200109.5R136 V146E134-R136 HydrophobicContact CG-CG 4.36Å; E134-R136 IonicContact OE2-CZ 3.25Å; E134-R136 VanDerWaalsContact OE2-CZ 3.25Å; E134-R136 IonicContact OE2-NE 2.94Å; E134-R136 PolarHBondContact OE2-NE 3.5Å; E134-R136 IonicContact OE2-NH2 3.63Å; E134-R136 PolarHBondContact OE2-NH2 3.4Å; E134-V146 PolarHBondContact N-O 3.43Å; E134-V146 PolarHBondContact O-N 2.95Å
135W94.8Very high94.5Very high48 Ų4882.2 Ų82.218%0.18241%0.408CS..EExtended strand (participates in β ladder)trans-83.4124.8169.5-76.2110.4000109.6E52 D53 W54 F57 R143 V144 R145E52-W135 PolarHBondContact O-NE1 2.68Å; D53-W135 PolarHBondContact O-NE1 3.18Å; W54-W135 WeakPolarHBondContact O-CZ2 3.32Å; F57-W135 HydrophobicContact CE2-CH2 4.21Å; F57-W135 HydrophobicContact CE2-CZ2 4.43Å; F57-W135 HydrophobicContact CZ-CH2 4.48Å; W135-R143 HydrophobicContact CD2-CG 4.27Å; W135-R143 HydrophobicContact CE3-CG 3.58Å; W135-R143 VanDerWaalsContact CG-NH2 3.31Å; W135-R143 HydrophobicContact CZ3-CG 4.05Å; W135-V144 VanDerWaalsContact CE3-C 3.49Å; W135-V144 VanDerWaalsContact CE3-O 3.31Å; W135-R145 HydrophobicContact CD2-CG 4.28Å; W135-R145 HydrophobicContact CE3-CG 3.81Å; W135-R145 HydrophobicContact CH2-CG 3.29Å; W135-R145 HydrophobicContact CZ2-CG 3.78Å; W135-R145 HydrophobicContact CZ3-CB 4.38Å; W135-R145 HydrophobicContact CZ3-CG 3.32Å
136R94.9Very high94.6Very high118 Ų11879 Ų7945%0.44539%0.388SS..EExtended strand (participates in β ladder)trans-126.8161.8173.8-61.5-170-175.8169.6-0.6110.5E134 R143 V144 V146E134-R136 HydrophobicContact CG-CG 4.36Å; E134-R136 IonicContact OE2-CZ 3.25Å; E134-R136 VanDerWaalsContact OE2-CZ 3.25Å; E134-R136 IonicContact OE2-NE 2.94Å; E134-R136 PolarHBondContact OE2-NE 3.5Å; E134-R136 IonicContact OE2-NH2 3.63Å; E134-R136 PolarHBondContact OE2-NH2 3.4Å; R136-R143 WeakPolarHBondContact O-CA 3.38Å; R136-V144 PolarHBondContact N-O 3.2Å; R136-V144 PolarHBondContact O-N 3.43Å; R136-V146 HydrophobicContact CB-CG2 3.99Å; R136-V146 HydrophobicContact CG-CB 4.44Å; R136-V146 HydrophobicContact CG-CG2 4.04Å
137F94.8Very high94.8Very high145 Ų14574.1 Ų74.164%0.63636%0.364SS*.EExtended strand (participates in β ladder)trans-102.3135171.3-68.5-86.5000109.4E142 R143F137-E142 WeakPolarHBondContact CA-O 2.87Å; F137-R143 HydrophobicContact CD1-CB 4.08Å; F137-R143 HydrophobicContact CE1-CB 3.75Å; F137-R143 HydrophobicContact CE1-CG 4.11Å; F137-R143 HydrophobicContact CZ-CB 4.36Å; F137-R143 HydrophobicContact CZ-CG 4.23Å
138T93.6Very high94.9Very high44 Ų4475.8 Ų75.827%0.2738%0.376SS..  trans-75167.2169.158.80000110.2A140 G141 E142 V144 I153T138-A140 PolarHBondContact O-N 3.21Å; T138-G141 WeakPolarHBondContact O-CA 3.48Å; T138-G141 PolarHBondContact O-N 2.93Å; T138-E142 PolarHBondContact N-O 3.22Å; T138-E142 WeakPolarHBondContact OG1-CB 3.28Å; T138-E142 PolarHBondContact OG1-N 3.07Å; T138-E142 VanDerWaalsContact OG1-N 3.08Å; T138-E142 PolarHBondContact OG1-O 2.76Å; T138-V144 HydrophobicContact CG2-CB 4.36Å; T138-V144 HydrophobicContact CG2-CG1 3.7Å; T138-V144 HydrophobicContact CG2-CG2 3.71Å; T138-I153 HydrophobicContact CG2-CD1 4.5Å
139E92.4Very high94.9Very high211 Ų21173.3 Ų73.399%0.98637%0.367SS*.THydrogen-bonded Turntrans-58.9-28.1174-62.7178-178.400112.4G141E139-G141 PolarHBondContact O-N 3.33Å
140A91.9Very high94.8Very high86 Ų8669.6 Ų69.671%0.71136%0.355SS*.THydrogen-bonded Turntrans-74.9-3.8173.600000113.7T138 E142T138-A140 PolarHBondContact O-N 3.21Å; A140-E142 HydrophobicContact CB-CG 4.45Å
141G92.1Very high94.7Very high51 Ų5169.8 Ų69.853%0.52636%0.364SS..  trans81.79.1-177.600000114.4T138 E139T138-G141 WeakPolarHBondContact O-CA 3.48Å; T138-G141 PolarHBondContact O-N 2.93Å; E139-G141 PolarHBondContact O-N 3.33Å
142E91.8Very high94.6Very high131 Ų13175.1 Ų75.161%0.61238%0.384SS*.  trans-81.9132.7178.7-59.3-172.3161.100111.4F137 T138 A140 V144F137-E142 WeakPolarHBondContact CA-O 2.87Å; T138-E142 PolarHBondContact N-O 3.22Å; T138-E142 WeakPolarHBondContact OG1-CB 3.28Å; T138-E142 PolarHBondContact OG1-N 3.07Å; T138-E142 VanDerWaalsContact OG1-N 3.08Å; T138-E142 PolarHBondContact OG1-O 2.76Å; A140-E142 HydrophobicContact CB-CG 4.45Å; E142-V144 PolarHBondContact O-N 3.32Å
143R92.3Very high94.5Very high76 Ų7674.5 Ų74.529%0.28738%0.383SS..EExtended strand (participates in β ladder)trans-80.9112.2177.3-169.8179171.7170.92.8110.6E52 W135 R136 F137E52-R143 VanDerWaalsContact O-CZ 3.23Å; E52-R143 PolarHBondContact O-NH2 3.26Å; W135-R143 HydrophobicContact CD2-CG 4.27Å; W135-R143 HydrophobicContact CE3-CG 3.58Å; W135-R143 VanDerWaalsContact CG-NH2 3.31Å; W135-R143 HydrophobicContact CZ3-CG 4.05Å; R136-R143 WeakPolarHBondContact O-CA 3.38Å; F137-R143 HydrophobicContact CD1-CB 4.08Å; F137-R143 HydrophobicContact CE1-CB 3.75Å; F137-R143 HydrophobicContact CE1-CG 4.11Å; F137-R143 HydrophobicContact CZ-CB 4.36Å; F137-R143 HydrophobicContact CZ-CG 4.23Å
144V95.2Very high94.4Very high24 Ų2474 Ų7415%0.14538%0.38CS..EExtended strand (participates in β ladder)trans-117.9150.5-175.5-64.70000112.2W135 R136 T138 E142 V146 I153W135-V144 VanDerWaalsContact CE3-C 3.49Å; W135-V144 VanDerWaalsContact CE3-O 3.31Å; R136-V144 PolarHBondContact N-O 3.2Å; R136-V144 PolarHBondContact O-N 3.43Å; T138-V144 HydrophobicContact CG2-CB 4.36Å; T138-V144 HydrophobicContact CG2-CG1 3.7Å; T138-V144 HydrophobicContact CG2-CG2 3.71Å; E142-V144 PolarHBondContact O-N 3.32Å; V144-V146 HydrophobicContact CG2-CG2 4.13Å; V144-I153 HydrophobicContact CB-CG2 3.93Å; V144-I153 HydrophobicContact CG1-CG2 4.26Å; V144-I153 HydrophobicContact CG2-CD1 4.22Å; V144-I153 HydrophobicContact CG2-CG1 4.17Å; V144-I153 HydrophobicContact CG2-CG2 4.45Å
145R96.2Very high94.2Very high1 Ų174.2 Ų74.20%0.00439%0.39CS..EExtended strand (participates in β ladder)trans-86.3130.8173.6-59177.2-67.1174.31.6108.5Y55 D60 I133 W135 I153 I154 P155Y55-R145 VanDerWaalsContact O-CD 3.3Å; Y55-R145 WeakPolarHBondContact O-CD 3.3Å; Y55-R145 PolarHBondContact O-NH1 3.02Å; D60-R145 VanDerWaalsContact CG-NH1 3.31Å; D60-R145 IonicContact OD1-CZ 2.64Å; D60-R145 IonicContact OD1-NH1 3.26Å; D60-R145 PolarHBondContact OD1-NH1 3.37Å; D60-R145 IonicContact OD1-NH2 2.8Å; D60-R145 PolarHBondContact OD1-NH2 2.95Å; D60-R145 IonicContact OD2-CZ 3.96Å; D60-R145 IonicContact OD2-NH1 2.68Å; D60-R145 PolarHBondContact OD2-NH1 2.9Å; D60-R145 IonicContact OD2-NH2 3.62Å; I133-R145 HydrophobicContact CG2-CB 3.84Å; I133-R145 HydrophobicContact CG2-CG 4.26Å; W135-R145 HydrophobicContact CD2-CG 4.28Å; W135-R145 HydrophobicContact CE3-CG 3.81Å; W135-R145 HydrophobicContact CH2-CG 3.29Å; W135-R145 HydrophobicContact CZ2-CG 3.78Å; W135-R145 HydrophobicContact CZ3-CB 4.38Å; W135-R145 HydrophobicContact CZ3-CG 3.32Å; R145-I153 CarbonylContact O-C 3.54Å; R145-I153 WeakPolarHBondContact O-CA 3.48Å; R145-I154 HydrophobicContact CB-CB 4.37Å; R145-I154 PolarHBondContact NE-O 3.28Å; R145-I154 PolarHBondContact O-N 2.92Å; R145-P155 PolarHBondContact NH2-O 2.74Å
146V96.6Very high94Very high6 Ų677.3 Ų77.34%0.03640%0.404CS..EExtended strand (participates in β ladder)trans-122.2130.9179.9-177.30000109.4I133 E134 R136 V144 T148 G151 R152 I153I133-V146 WeakPolarHBondContact CA-O 3.46Å; E134-V146 PolarHBondContact N-O 3.43Å; E134-V146 PolarHBondContact O-N 2.95Å; R136-V146 HydrophobicContact CB-CG2 3.99Å; R136-V146 HydrophobicContact CG-CB 4.44Å; R136-V146 HydrophobicContact CG-CG2 4.04Å; V144-V146 HydrophobicContact CG2-CG2 4.13Å; V146-T148 PolarHBondContact O-N 3Å; V146-G151 WeakPolarHBondContact CG1-O 3.35Å; V146-R152 WeakPolarHBondContact CA-O 3.37Å; V146-I153 HydrophobicContact CG2-CG1 4.18Å
147S97.4Very high93.7Very high0 Ų073 Ų730%039%0.391CS..EExtended strand (participates in β ladder)trans-68.2123.3171.7174.20000109.3D124 T131 R149 S150 G151 R152D124-S147 WeakPolarHBondContact OD2-CB 3.28Å; D124-S147 PolarHBondContact OD2-OG 3.02Å; T131-S147 WeakPolarHBondContact CB-OG 3.31Å; T131-S147 WeakPolarHBondContact CG2-OG 3.29Å; T131-S147 PolarHBondContact OG1-OG 2.87Å; S147-R149 PolarHBondContact O-N 3.46Å; S147-R149 PolarHBondContact OG-N 2.98Å; S147-S150 PolarHBondContact OG-N 2.67Å; S147-G151 WeakPolarHBondContact O-CA 3.17Å; S147-G151 PolarHBondContact O-N 2.96Å; S147-R152 PolarHBondContact N-O 3.15Å
148T96Very high93.1Very high87 Ų8772 Ų7253%0.53439%0.389SS..THydrogen-bonded Turntrans-64.9-20.5174.5-49.50000112E132 V146E132-T148 PolarHBondContact O-N 2.76Å; E132-T148 PolarHBondContact O-OG1 3.33Å; V146-T148 PolarHBondContact O-N 3Å
149R94.6Very high92Very high138 Ų13875.4 Ų75.452%0.52140%0.4SS..THydrogen-bonded Turntrans-83-46.8-174.4-170.3177.3149.659.821.8113D127 T131 S147D127-R149 IonicContact OD1-NE 3.69Å; D127-R149 IonicContact OD2-CZ 3.58Å; D127-R149 IonicContact OD2-NE 2.66Å; D127-R149 PolarHBondContact OD2-NE 2.9Å; D127-R149 IonicContact OD2-NH2 3.89Å; D127-R149 PolarHBondContact OD2-NH2 3.07Å; T131-R149 HydrophobicContact CG2-CB 3.4Å; T131-R149 VanDerWaalsContact CG2-CD 3.48Å; T131-R149 HydrophobicContact CG2-CG 4.07Å; S147-R149 PolarHBondContact O-N 3.46Å; S147-R149 PolarHBondContact OG-N 2.98Å
150S94.7Very high90.5Very high36 Ų3669.4 Ų69.425%0.25238%0.38SS..THydrogen-bonded Turntrans-106.5-11.4-18063.90000113.9D124 S147 R152D124-S150 PolarHBondContact OD1-OG 3.45Å; D124-S150 WeakPolarHBondContact OD2-CB 3.29Å; D124-S150 PolarHBondContact OD2-N 3.39Å; D124-S150 PolarHBondContact OD2-OG 2.79Å; S147-S150 PolarHBondContact OG-N 2.67Å; S150-R152 PolarHBondContact O-N 2.75Å; S150-R152 WeakPolarHBondContact OG-CB 3.35Å; S150-R152 PolarHBondContact OG-N 3.33Å
151G94Very high88.9Confident45 Ų4572.9 Ų72.946%0.46437%0.374SS..  trans69.45-170.400000113.8V146 S147V146-G151 WeakPolarHBondContact CG1-O 3.35Å; S147-G151 WeakPolarHBondContact O-CA 3.17Å; S147-G151 PolarHBondContact O-N 2.96Å
152R94.4Very high87.1Confident116 Ų11675.7 Ų75.744%0.43839%0.393SS..  trans-78.8146.4-180-70.3-164.4179.6-179.6-8.6112.1P125 V146 S147 S150P125-R152 HydrophobicContact CG-CB 4.4Å; V146-R152 WeakPolarHBondContact CA-O 3.37Å; S147-R152 PolarHBondContact N-O 3.15Å; S150-R152 PolarHBondContact O-N 2.75Å; S150-R152 WeakPolarHBondContact OG-CB 3.35Å; S150-R152 PolarHBondContact OG-N 3.33Å
153I95.1Very high85.4Confident88 Ų8875.7 Ų75.745%0.45140%0.397SS..EExtended strand (participates in β ladder)trans-72.3130.3172.9-64.3167.9000109.2T138 V144 R145 V146 P155T138-I153 HydrophobicContact CG2-CD1 4.5Å; V144-I153 HydrophobicContact CB-CG2 3.93Å; V144-I153 HydrophobicContact CG1-CG2 4.26Å; V144-I153 HydrophobicContact CG2-CD1 4.22Å; V144-I153 HydrophobicContact CG2-CG1 4.17Å; V144-I153 HydrophobicContact CG2-CG2 4.45Å; R145-I153 CarbonylContact O-C 3.54Å; R145-I153 WeakPolarHBondContact O-CA 3.48Å; V146-I153 HydrophobicContact CG2-CG1 4.18Å; I153-P155 WeakPolarHBondContact O-CD 3.46Å
154I94.8Very high83.5Confident14 Ų1474.9 Ų74.97%0.07241%0.412CS..EExtended strand (participates in β ladder)trans-98.9103.7169.8-52.8-171.2000107.7L122 P125 I133 R145L122-I154 HydrophobicContact CB-CD1 4.09Å; L122-I154 HydrophobicContact CD1-CD1 4.24Å; L122-I154 HydrophobicContact CD1-CG2 4.36Å; P125-I154 HydrophobicContact CG-CG1 4.49Å; I133-I154 HydrophobicContact CD1-CD1 3.54Å; I133-I154 HydrophobicContact CD1-CG1 4.48Å; R145-I154 HydrophobicContact CB-CB 4.37Å; R145-I154 PolarHBondContact NE-O 3.28Å; R145-I154 PolarHBondContact O-N 2.92Å
155P91.1Very high81.4Confident94 Ų9478.3 Ų78.361%0.6143%0.429SS*.PPolyproline II helixtrans-63.4146.4-175.628-34.9000110.2R145 I153R145-P155 PolarHBondContact NH2-O 2.74Å; I153-P155 WeakPolarHBondContact O-CD 3.46Å
156K90.6Very high79.3Confident112 Ų11281.2 Ų81.249%0.48745%0.446SS..PPolyproline II helixtrans-64.3133.2170.8-72.3177-179.1167.70108.2F57F57-K156 HydrophobicContact CD2-CG 4.3Å; F57-K156 HydrophobicContact CE2-CD 4.39Å; F57-K156 HydrophobicContact CE2-CG 4.19Å; F57-K156 HydrophobicContact CZ-CD 4.48Å
157P89.1Confident77.2Confident27 Ų2784 Ų8418%0.17547%0.465CS..PPolyproline II helixtrans-63140.5176.826.5-32.7000108.8F57 C58 D60 F159F57-P157 HydrophobicContact CB-CG 3.66Å; C58-P157 WeakPolarHBondContact O-CB 3.35Å; C58-P157 WeakPolarHBondContact O-CG 3.48Å; D60-P157 VanDerWaalsContact OD1-CD 3.28Å; D60-P157 WeakPolarHBondContact OD1-CD 3.16Å; P157-F159 PolarHBondContact O-N 3.11Å
158E82.1Confident75.1Confident125 Ų12591.2 Ų91.258%0.58450%0.499SS*.PPolyproline II helixtrans-69.1124.3174.6-58.5-163.5161.700109.1
159F69.2Low72.8Confident115 Ų11592.8 Ų92.850%0.50451%0.508SS..PPolyproline II helixtrans-84.2122.6171.7-73.2-91.3000108.1F57 C58 P157 R161F57-F159 HydrophobicContact CB-CE2 4.13Å; F57-F159 HydrophobicContact CB-CZ 3.92Å; F57-F159 HydrophobicContact CD1-CE2 4.23Å; F57-F159 HydrophobicContact CD1-CZ 4.26Å; C58-F159 HydrophobicContact CB-CE1 3.62Å; C58-F159 HydrophobicContact CB-CZ 4.19Å; P157-F159 PolarHBondContact O-N 3.11Å; F159-R161 PolarHBondContact O-N 3.3Å
160P62.4Low70.5Confident86 Ų8694.3 Ų94.356%0.55851%0.514SS*.PPolyproline II helixtrans-58.6139.116925.7-31.8000108
161R57.3Low68Low158 Ų158100 Ų10060%0.59654%0.54SS*.PPolyproline II helixtrans-57.1152.9172.9-66-178.8-179.91793.4108.5F159 D163 G164F159-R161 PolarHBondContact O-N 3.3Å; R161-D163 PolarHBondContact O-N 3.18Å; R161-G164 PolarHBondContact O-N 3.01Å
162A54.1Low65.6Low111 Ų111103.3 Ų103.392%0.91755%0.547SS*.THydrogen-bonded Turntrans-54.4-23.1178.200000112.9G164A162-G164 PolarHBondContact O-N 2.82Å
163D55.6Low63.3Low130 Ų130104.7 Ų104.770%0.69560%0.597SS**THydrogen-bonded Turntrans-75.8-5.4176.4-47.9-43.1000113.9R161 I165R161-D163 PolarHBondContact O-N 3.18Å; D163-I165 VanDerWaalsContact C-N 3.26Å; D163-I165 HydrophobicContact CB-CD1 4.36Å; D163-I165 HydrophobicContact CB-CG1 4.43Å; D163-I165 PolarHBondContact O-N 3.45Å
164G53.8Low61.7Low59 Ų59105.5 Ų105.561%0.60860%0.604SS**  trans78.31.9-179.200000115.1R161 A162R161-G164 PolarHBondContact O-N 3.01Å; A162-G164 PolarHBondContact O-N 2.82Å
165I51.3Low59.9Low96 Ų96110.3 Ų110.349%0.49263%0.632SS.*  trans-84.1121.6179.9-57.9169.8000109.6D163D163-I165 VanDerWaalsContact C-N 3.26Å; D163-I165 HydrophobicContact CB-CD1 4.36Å; D163-I165 HydrophobicContact CB-CG1 4.43Å; D163-I165 PolarHBondContact O-N 3.45Å
166V51Low58.2Low62 Ų62111.2 Ų111.238%0.37663%0.634SS.*  trans-88.6119.7169.4-179.20000107.9E168 T169V166-E168 VanDerWaalsContact C-N 3.25Å; V166-E168 HydrophobicContact CG1-CB 4.42Å; V166-E168 PolarHBondContact O-N 3.41Å; V166-T169 PolarHBondContact O-N 3.05Å; V166-T169 PolarHBondContact O-OG1 2.94Å
167P52.3Low56.3Low66 Ų66111.2 Ų111.243%0.42964%0.642SS.*G310 helixtrans-56.7-35.9-175.1-25.533.9000114T169 W170P167-T169 PolarHBondContact O-N 3.12Å; P167-W170 PolarHBondContact O-N 3.49Å
168E53.2Low54.2Low151 Ų151116.4 Ų116.471%0.70667%0.671SS**G310 helixtrans-67.3-18.9-176.8-58-167.1145.300114.2V166 W170V166-E168 VanDerWaalsContact C-N 3.25Å; V166-E168 HydrophobicContact CG1-CB 4.42Å; V166-E168 PolarHBondContact O-N 3.41Å; E168-W170 VanDerWaalsContact C-N 3.34Å
169T48.6Very low52.4Low119 Ų119115.9 Ų115.973%0.7368%0.677SS**G310 helixtrans-89.4-2.7179.3-17.80000112.9V166 P167V166-T169 PolarHBondContact O-N 3.05Å; V166-T169 PolarHBondContact O-OG1 2.94Å; P167-T169 PolarHBondContact O-N 3.12Å
170W45.9Very low51.2Low171 Ų171115.9 Ų115.965%0.64869%0.69SS**  trans-100.894.5-179.5-165.769000109.5P167 E168 D172P167-W170 PolarHBondContact O-N 3.49Å; E168-W170 VanDerWaalsContact C-N 3.34Å; W170-D172 WeakPolarHBondContact CH2-OD1 3.5Å; W170-D172 WeakPolarHBondContact CZ2-OD1 3.33Å; W170-D172 WeakPolarHBondContact CZ3-OD1 3.35Å; W170-D172 WeakPolarHBondContact CZ3-OD2 3.35Å; W170-D172 PolarHBondContact O-N 3.37Å
171I42.9Very low50.3Low155 Ų155118.2 Ų118.280%0.79570%0.7SS**  trans-80.5112.1165.8-60.9168.9000105.6G173I171-G173 PolarHBondContact O-N 3.39Å; I171-G173 VanDerWaalsContact O-N 3.08Å
172D42.5Very low49.7Very low114 Ų114114.9 Ų114.961%0.6171%0.708SS**  trans-53.6110.9163.5-85.9-56.2000108.4W170W170-D172 WeakPolarHBondContact CH2-OD1 3.5Å; W170-D172 WeakPolarHBondContact CZ2-OD1 3.33Å; W170-D172 WeakPolarHBondContact CZ3-OD1 3.35Å; W170-D172 WeakPolarHBondContact CZ3-OD2 3.35Å; W170-D172 PolarHBondContact O-N 3.37Å
173G45.5Very low49.3Very low145 Ų145115.3 Ų115.3100%1.49569%0.689SS**  trans-82.40167.500000110.8I171I171-G173 PolarHBondContact O-N 3.39Å; I171-G173 VanDerWaalsContact O-N 3.08Å

Retrieved 173 of 173 residues in 49.7 ms (Link to these results)