A0A061IP26_CRIGR Loading...

40S ribosomal protein S8

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession A0A061IP26, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100765692, Length 222 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
1M70.6Confident91.9Very high155 Ų155101.5 Ų101.576%0.76449%0.487SS*.  0128.20-88-171-76.100109K24M1-K24 HydrophobicContact CB-CB 4.48Å; M1-K24 HydrophobicContact CB-CD 4.31Å; M1-K24 HydrophobicContact CE-CB 3.47Å; M1-K24 VanDerWaalsContact CE-CB 3.47Å; M1-K24 WeakPolarHBondContact CE-O 3.49Å; M1-K24 HydrophobicContact SD-CB 3.36Å; M1-K24 WeakPolarHBondContact SD-CB 3.4Å
2G88.8Confident92.3Very high59 Ų59105.3 Ų105.361%0.60849%0.493SS*.  trans-85.7-136.2-175.100000114.3K24G2-K24 PolarHBondContact O-NZ 3.1Å
3I94.8Very high92.6Very high104 Ų104114.4 Ų114.453%0.53353%0.53SS..  trans-54.9137.5175.9-57.3167000109.5G30I3-G30 PolarHBondContact O-N 3.45Å
4S94.9Very high93Very high23 Ų23115.1 Ų115.116%0.16155%0.546CS..BIsolated β-bridgetrans-124143.4-178.9-169.60000110.6D6 E28S4-D6 WeakPolarHBondContact CB-OD1 3.41Å; S4-D6 PolarHBondContact OG-OD1 3.37Å; S4-E28 CarbonylContact C-O 3.21Å; S4-E28 WeakPolarHBondContact CA-O 3.48Å
5R95.1Very high93.2Very high207 Ų207109.8 Ų109.878%0.78153%0.534SS*.  trans-106.518.9-179.6-61.1-177.166.8-179-0.4112.1E28R5-E28 PolarHBondContact N-O 2.97Å
6D94.1Very high93.5Very high12 Ų12104.9 Ų104.96%0.06452%0.521CS..  trans-66.9162.617565.4-70.5000111.6S4 W8 H9S4-D6 WeakPolarHBondContact CB-OD1 3.41Å; S4-D6 PolarHBondContact OG-OD1 3.37Å; D6-W8 HydrophobicContact CB-CD2 4.28Å; D6-W8 HydrophobicContact CB-CG 4.29Å; D6-W8 HydrophobicContact CB-CZ2 4.19Å; D6-W8 VanDerWaalsContact CB-NE1 3.27Å; D6-W8 VanDerWaalsContact OD2-CD2 3.27Å; D6-W8 VanDerWaalsContact OD2-CE2 3.31Å; D6-H9 VanDerWaalsContact CG-ND1 3.29Å; D6-H9 PolarHBondContact O-CE1 3.39Å; D6-H9 PolarHBondContact O-ND1 3.09Å; D6-H9 VanDerWaalsContact O-ND1 3.07Å; D6-H9 IonicContact OD1-ND1 2.92Å; D6-H9 PolarHBondContact OD1-ND1 3.24Å; D6-H9 WeakPolarHBondContact OD2-CB 3.34Å; D6-H9 IonicContact OD2-CE1 3.21Å; D6-H9 IonicContact OD2-CG 2.83Å; D6-H9 PolarHBondContact OD2-N 3.16Å; D6-H9 VanDerWaalsContact OD2-N 3.1Å; D6-H9 IonicContact OD2-ND1 3.69Å; D6-H9 PolarHBondContact OD2-ND1 3.45Å
7N94.6Very high93.7Very high113 Ų113109.3 Ų109.360%0.60454%0.536SS*.SBendtrans-107.1-9.4178.462.51.2000112.9K10N7-K10 PolarHBondContact O-N 2.98Å
8W92.6Very high93.9Very high29 Ų29108.7 Ų108.711%0.1153%0.527CS..THydrogen-bonded Turntrans-84.7-18-172.650.8-102.1000113.2D6 K10 P20 H22 K24 E28D6-W8 HydrophobicContact CB-CD2 4.28Å; D6-W8 HydrophobicContact CB-CG 4.29Å; D6-W8 HydrophobicContact CB-CZ2 4.19Å; D6-W8 VanDerWaalsContact CB-NE1 3.27Å; D6-W8 VanDerWaalsContact OD2-CD2 3.27Å; D6-W8 VanDerWaalsContact OD2-CE2 3.31Å; W8-K10 PolarHBondContact O-N 3.22Å; W8-P20 HydrophobicContact CE3-CB 3.96Å; W8-P20 HydrophobicContact CE3-CG 4.18Å; W8-P20 HydrophobicContact CH2-CB 4.44Å; W8-P20 HydrophobicContact CZ3-CB 3.58Å; W8-P20 HydrophobicContact CZ3-CG 3.84Å; W8-H22 AromaticContact CE2-CE1 3.74Å; W8-H22 AromaticContact CZ2-CE1 3.85Å; W8-H22 AromaticContact CZ2-ND1 3.94Å; W8-H22 AromaticContact NE1-CE1 3.43Å; W8-H22 PolarHBondContact NE1-CE1 3.44Å; W8-K24 HydrophobicContact CH2-CG 4.31Å; W8-K24 HydrophobicContact CZ2-CG 4.43Å; W8-E28 PolarHBondContact NE1-OE1 3.32Å
9H93.1Very high94Very high108 Ų108113.5 Ų113.550%0.555%0.545SS..THydrogen-bonded Turntrans-67.4-18.3168.172.3-90.4000113.6D6D6-H9 VanDerWaalsContact CG-ND1 3.29Å; D6-H9 PolarHBondContact O-CE1 3.39Å; D6-H9 PolarHBondContact O-ND1 3.09Å; D6-H9 VanDerWaalsContact O-ND1 3.07Å; D6-H9 IonicContact OD1-ND1 2.92Å; D6-H9 PolarHBondContact OD1-ND1 3.24Å; D6-H9 WeakPolarHBondContact OD2-CB 3.34Å; D6-H9 IonicContact OD2-CE1 3.21Å; D6-H9 IonicContact OD2-CG 2.83Å; D6-H9 PolarHBondContact OD2-N 3.16Å; D6-H9 VanDerWaalsContact OD2-N 3.1Å; D6-H9 IonicContact OD2-ND1 3.69Å; D6-H9 PolarHBondContact OD2-ND1 3.45Å
10K95.9Very high94.1Very high132 Ų132112.4 Ų112.457%0.57455%0.547SS*.SBendtrans-84.8159178.5-60.9-171.6179.5-175.80111.9N7 W8 R18N7-K10 PolarHBondContact O-N 2.98Å; W8-K10 PolarHBondContact O-N 3.22Å; K10-R18 WeakPolarHBondContact O-CD 3.14Å
11R96.6Very high94.1Very high175 Ų175115.6 Ų115.666%0.6656%0.555SS**PPolyproline II helixtrans-65158.6173.2-71177.9176.7-96.85.7111.6G15R11-G15 WeakPolarHBondContact CD-O 3.45Å; R11-G15 PolarHBondContact NH1-O 2.71Å
12R96.4Very high95.3Very high147 Ų147109.8 Ų109.856%0.55553%0.526SS*.PPolyproline II helixtrans-67.3164.9170.1-71.4177.7176-168-1.1110.6T14 G15 G16 R18R12-T14 PolarHBondContact O-N 2.99Å; R12-G15 PolarHBondContact O-N 3.2Å; R12-G16 PolarHBondContact N-O 3.48Å; R12-R18 HydrophobicContact CG-CG 3.78Å
13K96.9Very high95.6Very high223 Ų223115.6 Ų115.697%0.9753%0.534SS*.THydrogen-bonded Turntrans-55.4-33.8169.3-172.5178.3178.4-176.40111.8G15K13-G15 PolarHBondContact O-N 2.99Å
14T97.3Very high95.7Very high125 Ų125114.5 Ų114.577%0.76753%0.526SS*.THydrogen-bonded Turntrans-75.70.5174.658.40000114.4R12 G16R12-T14 PolarHBondContact O-N 2.99Å; T14-G16 VanDerWaalsContact C-N 3.26Å; T14-G16 PolarHBondContact O-N 3.09Å
15G97.1Very high95.7Very high35 Ų35119.4 Ų119.436%0.36154%0.541SS..SBendtrans83.2-13.2-177.100000115.3R11 R12 K13R11-G15 WeakPolarHBondContact CD-O 3.45Å; R11-G15 PolarHBondContact NH1-O 2.71Å; R12-G15 PolarHBondContact O-N 3.2Å; K13-G15 PolarHBondContact O-N 2.99Å
16G97.8Very high95.7Very high32 Ų32118.2 Ų118.233%0.3354%0.541SS..PPolyproline II helixtrans-60.9137.1178.400000113.7R12 T14R12-G16 PolarHBondContact N-O 3.48Å; T14-G16 VanDerWaalsContact C-N 3.26Å; T14-G16 PolarHBondContact O-N 3.09Å
17K96.8Very high95.8Very high179 Ų179124.3 Ų124.378%0.77856%0.564SS**PPolyproline II helixtrans-70.2135.2176-172.1176.4-178.9179.10110.2
18R96.3Very high95.8Very high98 Ų98120 Ų12037%0.3754%0.541SS..PPolyproline II helixtrans-93134.2175.1-65.7-178.6173.8178.4-6.4109.8K10 R12K10-R18 WeakPolarHBondContact O-CD 3.14Å; R12-R18 HydrophobicContact CG-CG 3.78Å
19K95.9Very high96Very high201 Ų201122 Ų12287%0.87455%0.553SS**PPolyproline II helixtrans-82.7126.2168.3-68.4-175.2-179.31800108.6Y21K19-Y21 PolarHBondContact O-N 3.44Å
20P95.7Very high96.1Very high90 Ų90117.6 Ų117.658%0.58454%0.537SS*.PPolyproline II helixtrans-60.4129.9172.9-2535.8000111.3W8W8-P20 HydrophobicContact CE3-CB 3.96Å; W8-P20 HydrophobicContact CE3-CG 4.18Å; W8-P20 HydrophobicContact CH2-CB 4.44Å; W8-P20 HydrophobicContact CZ3-CB 3.58Å; W8-P20 HydrophobicContact CZ3-CG 3.84Å
21Y95.5Very high96.1Very high180 Ų180116.4 Ų116.471%0.70653%0.529SS*.  trans-98.2-15.5179.966.4-80.7000113.2K19K19-Y21 PolarHBondContact O-N 3.44Å
22H95.4Very high96Very high34 Ų34112.7 Ų112.716%0.15753%0.528CS..SBendtrans-145.2165175.163.851.2000111.9W8 E28W8-H22 AromaticContact CE2-CE1 3.74Å; W8-H22 AromaticContact CZ2-CE1 3.85Å; W8-H22 AromaticContact CZ2-ND1 3.94Å; W8-H22 AromaticContact NE1-CE1 3.43Å; W8-H22 PolarHBondContact NE1-CE1 3.44Å; H22-E28 IonicContact CE1-OE1 3.96Å
23K95.1Very high96Very high180 Ų180109.1 Ų109.178%0.78353%0.53SS*.  trans-69.7158.3170-61-179.2-178.2177.70110.5
24K96.2Very high96Very high82 Ų8299.3 Ų99.336%0.35749%0.49SS..  trans-52148175.9-70.6173.6174.81800111.2M1 G2 W8M1-K24 HydrophobicContact CB-CB 4.48Å; M1-K24 HydrophobicContact CB-CD 4.31Å; M1-K24 HydrophobicContact CE-CB 3.47Å; M1-K24 VanDerWaalsContact CE-CB 3.47Å; M1-K24 WeakPolarHBondContact CE-O 3.49Å; M1-K24 HydrophobicContact SD-CB 3.36Å; M1-K24 WeakPolarHBondContact SD-CB 3.4Å; G2-K24 PolarHBondContact O-NZ 3.1Å; W8-K24 HydrophobicContact CH2-CG 4.31Å; W8-K24 HydrophobicContact CZ2-CG 4.43Å
25R95.4Very high96Very high125 Ų12598 Ų9847%0.47248%0.479SS..  trans-112.5152.6179.2-60.3-62.3-171.1173.71.8112.2Y27 E28R25-Y27 HydrophobicContact CB-CD1 3.78Å; R25-Y27 HydrophobicContact CB-CE1 3.31Å; R25-Y27 HydrophobicContact CB-CE2 4.16Å; R25-Y27 HydrophobicContact CB-CG 4.36Å; R25-Y27 HydrophobicContact CG-CE1 3.75Å; R25-Y27 PolarHBondContact O-N 3.41Å; R25-E28 HydrophobicContact CB-CG 4.22Å; R25-E28 PolarHBondContact N-OE2 3.04Å; R25-E28 PolarHBondContact O-N 2.71Å
26K95.3Very high96Very high182 Ų18296.5 Ų96.579%0.79146%0.463SS*.G310 helixtrans-58.9-33.6-178.5-170.7173-176.7174.90112.4E28 L29K26-E28 VanDerWaalsContact C-N 3.28Å; K26-E28 PolarHBondContact O-N 2.77Å; K26-L29 HydrophobicContact CG-CD2 4.39Å; K26-L29 WeakPolarHBondContact O-CB 3.38Å; K26-L29 WeakPolarHBondContact O-CD2 3.33Å; K26-L29 WeakPolarHBondContact O-CG 3.29Å; K26-L29 PolarHBondContact O-N 2.99Å
27Y95.1Very high96Very high140 Ų14098.1 Ų98.155%0.54946%0.46SS..G310 helixtrans-74.4-16.617960.1-100.5000113.8R25 L29R25-Y27 HydrophobicContact CB-CD1 3.78Å; R25-Y27 HydrophobicContact CB-CE1 3.31Å; R25-Y27 HydrophobicContact CB-CE2 4.16Å; R25-Y27 HydrophobicContact CB-CG 4.36Å; R25-Y27 HydrophobicContact CG-CE1 3.75Å; R25-Y27 PolarHBondContact O-N 3.41Å; Y27-L29 VanDerWaalsContact C-N 3.26Å
28E95.4Very high96Very high23 Ų2391.8 Ų91.811%0.10744%0.435CS..G310 helixtrans-86.12.2177.2-56.8174.2137.900112S4 R5 W8 H22 R25 K26 G30S4-E28 CarbonylContact C-O 3.21Å; S4-E28 WeakPolarHBondContact CA-O 3.48Å; R5-E28 PolarHBondContact N-O 2.97Å; W8-E28 PolarHBondContact NE1-OE1 3.32Å; H22-E28 IonicContact CE1-OE1 3.96Å; R25-E28 HydrophobicContact CB-CG 4.22Å; R25-E28 PolarHBondContact N-OE2 3.04Å; R25-E28 PolarHBondContact O-N 2.71Å; K26-E28 VanDerWaalsContact C-N 3.28Å; K26-E28 PolarHBondContact O-N 2.77Å; E28-G30 PolarHBondContact O-N 2.87Å
29L95.9Very high96Very high70 Ų7087.9 Ų87.937%0.36643%0.425SS..BIsolated β-bridgetrans-62134.7-171.583.490.4000112.8K26 Y27 R31K26-L29 HydrophobicContact CG-CD2 4.39Å; K26-L29 WeakPolarHBondContact O-CB 3.38Å; K26-L29 WeakPolarHBondContact O-CD2 3.33Å; K26-L29 WeakPolarHBondContact O-CG 3.29Å; K26-L29 PolarHBondContact O-N 2.99Å; Y27-L29 VanDerWaalsContact C-N 3.26Å; L29-R31 HydrophobicContact CD1-CG 3.72Å
30G95.5Very high96.1Very high17 Ų1782.5 Ų82.518%0.17541%0.41CS..  trans-95.8159.9160.900000111.1I3 E28I3-G30 PolarHBondContact O-N 3.45Å; E28-G30 PolarHBondContact O-N 2.87Å
31R95.7Very high96.2Very high106 Ų10687.2 Ų87.240%0.442%0.417SS..  trans-127.2152.2170.8-69.3-172.817697.7-11.7109.4L29 R47L29-R31 HydrophobicContact CD1-CG 3.72Å; R31-R47 PolarHBondContact NH2-O 3.44Å
32P96.1Very high96.3Very high98 Ų9884.4 Ų84.464%0.63641%0.405SS*.  trans-51.2150.1173-26.835.2000112.8
33A96.3Very high96.5Very high71 Ų7185.7 Ų85.759%0.58741%0.412SS*.  trans-64.4151.1173.700000110.5N35A33-N35 WeakPolarHBondContact CB-OD1 3.28Å
34A95.8Very high96.6Very high18 Ų1882.1 Ų82.115%0.14940%0.398CS..  trans-80.9-28.6-179.600000112.8T36A34-T36 VanDerWaalsContact C-N 3.27Å; A34-T36 PolarHBondContact O-N 3.14Å
35N96.9Very high96.7Very high98 Ų9882.7 Ų82.752%0.52441%0.408SS..  trans43.850.6-177.8-63.8-16.5000113.2A33 K37 T95A33-N35 WeakPolarHBondContact CB-OD1 3.28Å; N35-K37 WeakPolarHBondContact O-CG 3.44Å; N35-K37 PolarHBondContact O-N 3.49Å; N35-T95 HydrophobicContact CB-CG2 4.49Å
36T98Very high96.8Very high3 Ų378.3 Ų78.32%0.01840%0.396CS..  trans-52128.6-177.3-40.70000111.3A34 A57 L58 L60 T95 L96 P176A34-T36 VanDerWaalsContact C-N 3.27Å; A34-T36 PolarHBondContact O-N 3.14Å; T36-A57 HydrophobicContact CG2-CB 3.58Å; T36-A57 PolarHBondContact OG1-O 3.48Å; T36-A57 VanDerWaalsContact OG1-O 3.06Å; T36-L58 WeakPolarHBondContact CA-O 3.46Å; T36-L60 HydrophobicContact CG2-CB 4.46Å; T36-L60 HydrophobicContact CG2-CD1 4.22Å; T36-L60 HydrophobicContact CG2-CG 4.19Å; T36-T95 CarbonylContact O-C 3.51Å; T36-T95 WeakPolarHBondContact O-CA 3.37Å; T36-L96 HydrophobicContact CG2-CB 4.38Å; T36-L96 HydrophobicContact CG2-CD1 4.38Å; T36-L96 PolarHBondContact O-N 3.23Å; T36-P176 HydrophobicContact CG2-CB 4.14Å
37K97.4Very high96.9Very high65 Ų6578.8 Ų78.828%0.28339%0.393SS..EExtended strand (participates in β ladder)trans-109.3163.2178.6-58.6-56.3-174174.50112.2N35 L58 R59 L60 T93 T95N35-K37 WeakPolarHBondContact O-CG 3.44Å; N35-K37 PolarHBondContact O-N 3.49Å; K37-L58 PolarHBondContact N-O 3.24Å; K37-R59 CarbonylContact O-C 3.49Å; K37-R59 VanDerWaalsContact O-CA 3.24Å; K37-R59 WeakPolarHBondContact O-CA 3.38Å; K37-L60 PolarHBondContact O-N 3.1Å; K37-T93 WeakPolarHBondContact CD-O 3.23Å; K37-T93 PolarHBondContact NZ-O 3.37Å; K37-T93 PolarHBondContact NZ-OG1 3.17Å; K37-T95 PolarHBondContact NZ-OG1 3.05Å
38I97.3Very high96.9Very high46 Ų4673.6 Ų73.624%0.23638%0.375CS..EExtended strand (participates in β ladder)trans-70.8131.3166.8-58.3175000108.9L60 I78 V81 K94 L96I38-L60 VanDerWaalsContact CA-O 3.3Å; I38-L60 WeakPolarHBondContact CA-O 3.44Å; I38-I78 HydrophobicContact CD1-CG2 4.03Å; I38-I78 HydrophobicContact CG1-CG2 4.33Å; I38-V81 HydrophobicContact CD1-CG2 4.1Å; I38-K94 HydrophobicContact CD1-CB 4.41Å; I38-L96 HydrophobicContact CD1-CD2 4.39Å; I38-L96 HydrophobicContact CG1-CD1 4.29Å; I38-L96 HydrophobicContact CG1-CD2 3.99Å; I38-L96 HydrophobicContact CG1-CG 4.23Å
39G97Very high96.9Very high16 Ų1682.3 Ų82.317%0.16541%0.407CS..SBendtrans157.1-177.7178.300000113.1R41 L60 D61G39-R41 PolarHBondContact O-N 3.41Å; G39-L60 PolarHBondContact N-O 2.99Å; G39-L60 CarbonylContact O-C 3.52Å; G39-L60 PolarHBondContact O-N 3.48Å; G39-D61 WeakPolarHBondContact O-CB 3.25Å; G39-D61 PolarHBondContact O-N 3.45Å
40P97.5Very high97Very high88 Ų8882.4 Ų82.457%0.57143%0.425SS*.SBendtrans-58.7133-174.624.1-34.4000111R42 R59P40-R42 PolarHBondContact O-N 3Å; P40-R42 VanDerWaalsContact O-N 3.1Å; P40-R59 WeakPolarHBondContact O-CB 3.5Å
41R97.8Very high97Very high190 Ų19083.3 Ų83.372%0.71744%0.435SS*.  trans-48.8114-171.7-172.4178.379.9157.31.7112.6G39 I43 R59 L60G39-R41 PolarHBondContact O-N 3.41Å; R41-I43 HydrophobicContact CG-CD1 4.12Å; R41-I43 HydrophobicContact CG-CG1 4.34Å; R41-R59 WeakPolarHBondContact CA-O 3.49Å; R41-L60 HydrophobicContact CG-CD2 4.04Å
42R98.2Very high97.1Very high120 Ų12083.6 Ų83.645%0.45344%0.444SS..EExtended strand (participates in β ladder)trans-135.4115.5174.1-173.3-178.1-66.3-178.3-4.4110.2P40 L58 R59P40-R42 PolarHBondContact O-N 3Å; P40-R42 VanDerWaalsContact O-N 3.1Å; R42-L58 HydrophobicContact CG-CB 4.46Å; R42-L58 HydrophobicContact CG-CD1 4.41Å; R42-L58 PolarHBondContact O-N 3.18Å; R42-R59 HydrophobicContact CB-CB 4.17Å; R42-R59 PolarHBondContact N-O 2.94Å; R42-R59 PolarHBondContact O-N 3.08Å
43I98Very high97.1Very high62 Ų6286 Ų8632%0.31845%0.445SS..EExtended strand (participates in β ladder)trans-131.1126.7-176.2-57.5170000109.2R41 Y55 R56 A57 L60 G180R41-I43 HydrophobicContact CG-CD1 4.12Å; R41-I43 HydrophobicContact CG-CG1 4.34Å; I43-Y55 HydrophobicContact CG2-CD1 4.29Å; I43-R56 WeakPolarHBondContact CA-O 3.49Å; I43-A57 HydrophobicContact CG1-CB 4.39Å; I43-L60 HydrophobicContact CD1-CD2 4.11Å; I43-L60 HydrophobicContact CG1-CD2 4.24Å; I43-G180 WeakPolarHBondContact CD1-O 3.29Å
44H98Very high97.2Very high104 Ų10486.7 Ų86.748%0.48143%0.434SS..EExtended strand (participates in β ladder)trans-104.2139.2174.7-71.5-163.2000110.6R56H44-R56 PolarHBondContact N-O 3.21Å; H44-R56 PolarHBondContact O-N 2.81Å
45T97.8Very high97.3Very high94 Ų9491 Ų9158%0.57745%0.448SS*.EExtended strand (participates in β ladder)trans-85.6142.1173.848.10000110.7Y55T45-Y55 HydrophobicContact CG2-CD1 3.65Å; T45-Y55 HydrophobicContact CG2-CE1 3.56Å
46V97.2Very high97.4Very high34 Ų3488.5 Ų88.521%0.20643%0.431CS..EExtended strand (participates in β ladder)trans-131121.1177.5179.90000109.2K54 R56V46-K54 PolarHBondContact N-O 3.49Å; V46-K54 PolarHBondContact O-N 2.93Å; V46-R56 HydrophobicContact CG2-CB 4.47Å; V46-R56 HydrophobicContact CG2-CG 3.64Å
47R97.3Very high97.4Very high192 Ų19288.4 Ų88.473%0.72543%0.43SS*.EExtended strand (participates in β ladder)trans-70.1132.1171.9-172.6175.1178.21521.2110.5R31R31-R47 PolarHBondContact NH2-O 3.44Å
48V96.9Very high97.4Very high31 Ų3188 Ų8819%0.18843%0.431CS..  trans-117.8-178.8178.8-58.90000111.5G51 N52 K54V48-G51 PolarHBondContact O-N 3.48Å; V48-N52 HydrophobicContact CG2-CB 3.68Å; V48-N52 WeakPolarHBondContact CG2-O 3.5Å; V48-N52 PolarHBondContact N-O 3.21Å; V48-K54 HydrophobicContact CG1-CB 4.26Å; V48-K54 HydrophobicContact CG1-CD 3.97Å; V48-K54 HydrophobicContact CG1-CG 3.88Å; V48-K54 HydrophobicContact CG2-CG 4.33Å
49R95.1Very high97.4Very high205 Ų20590.5 Ų90.577%0.77444%0.437SS*.G310 helixtrans-56.9141.7178.9-172.9177.4-178.1178.40.2110.2G51R49-G51 VanDerWaalsContact C-N 3.3Å
50G96.6Very high97.5Very high73 Ų7390 Ų9075%0.75343%0.431SS*.G310 helixtrans76.612.2-177.900000114.5N52G50-N52 PolarHBondContact O-N 3.1Å
51G95.8Very high97.4Very high36 Ų3688.3 Ų88.337%0.37142%0.417SS..G310 helixtrans81.9-5.9177.300000115.1V48 R49V48-G51 PolarHBondContact O-N 3.48Å; R49-G51 VanDerWaalsContact C-N 3.3Å
52N97.7Very high97.4Very high112 Ų11281.3 Ų81.360%0.59940%0.395SS*.  trans-63.3161.3177.8-66.7-32.6000112.9V48 G50V48-N52 HydrophobicContact CG2-CB 3.68Å; V48-N52 WeakPolarHBondContact CG2-O 3.5Å; V48-N52 PolarHBondContact N-O 3.21Å; G50-N52 PolarHBondContact O-N 3.1Å
53K97.1Very high97.3Very high149 Ų14975.9 Ų75.965%0.64838%0.376SS*.EExtended strand (participates in β ladder)trans-112.3142.7177.5-65.5176.2-178173.90110.6
54K98.1Very high97.3Very high85 Ų8576.3 Ų76.337%0.3738%0.379SS..EExtended strand (participates in β ladder)trans-121.6153.7165.1-70.1-167173.8-175.30109.7V46 V48 Q178V46-K54 PolarHBondContact N-O 3.49Å; V46-K54 PolarHBondContact O-N 2.93Å; V48-K54 HydrophobicContact CG1-CB 4.26Å; V48-K54 HydrophobicContact CG1-CD 3.97Å; V48-K54 HydrophobicContact CG1-CG 3.88Å; V48-K54 HydrophobicContact CG2-CG 4.33Å; K54-Q178 VanDerWaalsContact CD-OE1 3.27Å
55Y98Very high97.3Very high108 Ų10871.3 Ų71.342%0.42436%0.356SS..EExtended strand (participates in β ladder)trans-112.5116.8-176.6-58.5-83.2000109.3I43 T45 Q178 G180I43-Y55 HydrophobicContact CG2-CD1 4.29Å; T45-Y55 HydrophobicContact CG2-CD1 3.65Å; T45-Y55 HydrophobicContact CG2-CE1 3.56Å; Y55-Q178 PolarHBondContact N-O 3.2Å; Y55-Q178 CarbonylContact O-C 3.58Å; Y55-Q178 VanDerWaalsContact O-O 3.14Å; Y55-G180 PolarHBondContact O-N 3.33Å; Y55-G180 VanDerWaalsContact O-N 3.14Å
56R98.1Very high97.2Very high46 Ų4668.6 Ų68.617%0.17434%0.341CS..EExtended strand (participates in β ladder)trans-96.398.5177.1-70.8-78178.3175.715.6107.9I43 H44 V46 L58 G177 Q178I43-R56 WeakPolarHBondContact CA-O 3.49Å; H44-R56 PolarHBondContact N-O 3.21Å; H44-R56 PolarHBondContact O-N 2.81Å; V46-R56 HydrophobicContact CG2-CB 4.47Å; V46-R56 HydrophobicContact CG2-CG 3.64Å; R56-L58 PolarHBondContact O-N 3.24Å; R56-G177 WeakPolarHBondContact CD-O 3.42Å; R56-G177 VanDerWaalsContact CZ-O 3.3Å; R56-G177 PolarHBondContact NE-O 3.2Å; R56-G177 PolarHBondContact NH1-O 3.25Å; R56-Q178 VanDerWaalsContact CZ-NE2 3.34Å
57A98.2Very high97.1Very high0 Ų067 Ų670%033%0.331CS..EExtended strand (participates in β ladder)trans-65.4129.116600000109.6T36 I43 L60 P176T36-A57 HydrophobicContact CG2-CB 3.58Å; T36-A57 PolarHBondContact OG1-O 3.48Å; T36-A57 VanDerWaalsContact OG1-O 3.06Å; I43-A57 HydrophobicContact CG1-CB 4.39Å; A57-L60 HydrophobicContact CB-CD1 3.6Å; A57-L60 HydrophobicContact CB-CD2 4.35Å; A57-L60 HydrophobicContact CB-CG 3.78Å; A57-P176 HydrophobicContact CB-CB 4.27Å; A57-P176 WeakPolarHBondContact CB-O 3.4Å; A57-P176 PolarHBondContact N-O 3.31Å
58L97.8Very high96.7Very high57 Ų5760.4 Ų60.430%0.29832%0.322SS..EExtended strand (participates in β ladder)trans-102.6-37.9170-60.8179.8000110.1T36 K37 R42 R56T36-L58 WeakPolarHBondContact CA-O 3.46Å; K37-L58 PolarHBondContact N-O 3.24Å; R42-L58 HydrophobicContact CG-CB 4.46Å; R42-L58 HydrophobicContact CG-CD1 4.41Å; R42-L58 PolarHBondContact O-N 3.18Å; R56-L58 PolarHBondContact O-N 3.24Å
59R98.1Very high96.3Very high99 Ų9962.7 Ų62.737%0.37434%0.34SS..EExtended strand (participates in β ladder)trans-138.5135.2174.9-63.8179.8-171.4166.7-1.2110.4K37 P40 R41 R42K37-R59 CarbonylContact O-C 3.49Å; K37-R59 VanDerWaalsContact O-CA 3.24Å; K37-R59 WeakPolarHBondContact O-CA 3.38Å; P40-R59 WeakPolarHBondContact O-CB 3.5Å; R41-R59 WeakPolarHBondContact CA-O 3.49Å; R42-R59 HydrophobicContact CB-CB 4.17Å; R42-R59 PolarHBondContact N-O 2.94Å; R42-R59 PolarHBondContact O-N 3.08Å
60L97.8Very high95.9Very high5 Ų555 Ų553%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-143.7138.9173.5-68.2175000109.5T36 K37 I38 G39 R41 I43 A57 L96 P176 A182T36-L60 HydrophobicContact CG2-CB 4.46Å; T36-L60 HydrophobicContact CG2-CD1 4.22Å; T36-L60 HydrophobicContact CG2-CG 4.19Å; K37-L60 PolarHBondContact O-N 3.1Å; I38-L60 VanDerWaalsContact CA-O 3.3Å; I38-L60 WeakPolarHBondContact CA-O 3.44Å; G39-L60 PolarHBondContact N-O 2.99Å; G39-L60 CarbonylContact O-C 3.52Å; G39-L60 PolarHBondContact O-N 3.48Å; R41-L60 HydrophobicContact CG-CD2 4.04Å; I43-L60 HydrophobicContact CD1-CD2 4.11Å; I43-L60 HydrophobicContact CG1-CD2 4.24Å; A57-L60 HydrophobicContact CB-CD1 3.6Å; A57-L60 HydrophobicContact CB-CD2 4.35Å; A57-L60 HydrophobicContact CB-CG 3.78Å; L60-L96 HydrophobicContact CB-CD1 4.11Å; L60-P176 HydrophobicContact CD1-CB 4.17Å; L60-A182 HydrophobicContact CD1-CB 3.84Å
61D96.6Very high95.6Very high53 Ų5357.1 Ų57.128%0.28332%0.315SS..  trans-122-10.2177.854.5-12.8000112.5G39 R77 I78G39-D61 WeakPolarHBondContact O-CB 3.25Å; G39-D61 PolarHBondContact O-N 3.45Å; D61-R77 CarbonylContact O-C 3.57Å; D61-R77 WeakPolarHBondContact O-CA 3.37Å; D61-R77 WeakPolarHBondContact O-CG 3.26Å; D61-I78 PolarHBondContact O-N 3.41Å
62V97.4Very high95.4Very high43 Ų4356.6 Ų56.626%0.26131%0.305SS..EExtended strand (participates in β ladder)trans-130.1146.8-179.6-65.50000111.3T76V62-T76 WeakPolarHBondContact CA-O 3.44Å
63G97.1Very high95.2Very high5 Ų554.2 Ų54.25%0.05230%0.295CS..EExtended strand (participates in β ladder)trans-144.1162.8176.100000111.3K75 T76 A182G63-K75 WeakPolarHBondContact O-CA 3.31Å; G63-T76 PolarHBondContact N-O 3.24Å; G63-T76 PolarHBondContact O-N 3.31Å; G63-A182 WeakPolarHBondContact CA-O 3.32Å
64N97.6Very high95.1Very high71 Ų7153 Ų5338%0.3829%0.286SS..EExtended strand (participates in β ladder)trans-96.5114.6170.8-16218.1000109.6T73 R74 D183 G184N64-T73 VanDerWaalsContact ND2-CG2 3.27Å; N64-T73 WeakPolarHBondContact ND2-CG2 3.42Å; N64-T73 WeakPolarHBondContact OD1-CG2 3.27Å; N64-R74 VanDerWaalsContact OD1-C 3.23Å; N64-R74 PolarHBondContact OD1-O 3.42Å; N64-D183 HydrophobicContact CB-CB 4.47Å; N64-D183 WeakPolarHBondContact CB-OD1 3.44Å; N64-D183 PolarHBondContact N-OD1 2.85Å; N64-D183 VanDerWaalsContact N-OD1 3.1Å; N64-D183 CarbonylContact O-C 3.58Å; N64-D183 WeakPolarHBondContact O-CA 3.39Å; N64-D183 WeakPolarHBondContact O-CB 3.5Å; N64-G184 PolarHBondContact O-N 3.21Å
65F97.4Very high95.1Very high0 Ų056.1 Ų56.10%030%0.299CS..EExtended strand (participates in β ladder)trans-116.5132.5-175.3-69.9-90.2000110.2R74 T76 I78 V102 I104 Y109 A170 I172 A182 G184F65-R74 PolarHBondContact N-O 3.24Å; F65-R74 PolarHBondContact O-N 2.91Å; F65-T76 WeakPolarHBondContact CD2-OG1 3.41Å; F65-I78 HydrophobicContact CE2-CD1 4.13Å; F65-I78 HydrophobicContact CE2-CG1 3.74Å; F65-I78 HydrophobicContact CZ-CD1 4.07Å; F65-I78 HydrophobicContact CZ-CG1 3.92Å; F65-V102 HydrophobicContact CE1-CG2 3.97Å; F65-V102 HydrophobicContact CZ-CG2 3.95Å; F65-I104 HydrophobicContact CB-CD1 3.8Å; F65-I104 HydrophobicContact CD1-CD1 4.28Å; F65-I104 HydrophobicContact CD1-CG2 4.27Å; F65-I104 HydrophobicContact CD2-CD1 4.29Å; F65-I104 HydrophobicContact CD2-CG2 3.95Å; F65-I104 HydrophobicContact CE1-CG2 3.99Å; F65-I104 HydrophobicContact CE2-CG2 3.64Å; F65-I104 HydrophobicContact CG-CD1 3.89Å; F65-I104 HydrophobicContact CG-CG2 4.24Å; F65-I104 HydrophobicContact CZ-CG2 3.66Å; F65-Y109 WeakPolarHBondContact CB-OH 3.32Å; F65-Y109 PolarHBondContact O-OH 3.19Å; F65-A170 HydrophobicContact CD1-CB 3.62Å; F65-A170 HydrophobicContact CE1-CB 3.79Å; F65-I172 HydrophobicContact CE1-CG1 4.3Å; F65-I172 HydrophobicContact CZ-CG1 4.36Å; F65-A182 WeakPolarHBondContact CZ-O 3.33Å; F65-G184 WeakPolarHBondContact CA-O 3.24Å
66S96.2Very high95Very high37 Ų3751.1 Ų51.126%0.25928%0.28SS..EExtended strand (participates in β ladder)trans-98.3131179.3-171.50000111.6T73 G184 Y185 V186S66-T73 WeakPolarHBondContact CB-OG1 3.26Å; S66-T73 PolarHBondContact OG-OG1 2.98Å; S66-G184 PolarHBondContact N-O 3.21Å; S66-Y185 CarbonylContact O-C 3.14Å; S66-Y185 WeakPolarHBondContact O-CA 3.4Å; S66-Y185 WeakPolarHBondContact O-CB 3.35Å; S66-V186 PolarHBondContact O-N 3.32Å
67W93.6Very high94.9Very high1 Ų155.2 Ų55.20%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-91.5108.1165.1-172.55.1000108.6S69 E70 C71 C72 Y109 I155 F163 V186 E188W67-S69 PolarHBondContact NE1-OG 3.37Å; W67-E70 HydrophobicContact CD2-CB 4.2Å; W67-E70 HydrophobicContact CD2-CG 4.04Å; W67-E70 HydrophobicContact CE3-CB 4.31Å; W67-E70 HydrophobicContact CE3-CG 4.19Å; W67-E70 VanDerWaalsContact CH2-CD 3.43Å; W67-E70 HydrophobicContact CH2-CG 4.17Å; W67-E70 WeakPolarHBondContact CH2-OE1 3.45Å; W67-E70 HydrophobicContact CZ2-CG 4Å; W67-E70 VanDerWaalsContact CZ3-CD 3.49Å; W67-E70 HydrophobicContact CZ3-CG 4.27Å; W67-E70 WeakPolarHBondContact CZ3-OE2 3.15Å; W67-C71 WeakPolarHBondContact O-CA 3.38Å; W67-C71 PolarHBondContact O-N 2.92Å; W67-C72 HydrophobicContact CB-CB 4.4Å; W67-C72 PolarHBondContact N-O 3.3Å; W67-C72 PolarHBondContact O-N 2.87Å; W67-C72 VanDerWaalsContact O-N 3.07Å; W67-Y109 HydrophobicContact CB-CD1 4.06Å; W67-Y109 HydrophobicContact CB-CE1 3.97Å; W67-Y109 HydrophobicContact CE3-CD1 4.16Å; W67-Y109 HydrophobicContact CE3-CG 4.44Å; W67-I155 HydrophobicContact CH2-CD1 3.84Å; W67-I155 HydrophobicContact CH2-CG1 4.45Å; W67-I155 HydrophobicContact CZ2-CD1 4.25Å; W67-I155 HydrophobicContact CZ2-CG1 4.39Å; W67-I155 HydrophobicContact CZ2-CG2 4.48Å; W67-F163 HydrophobicContact CE3-CZ 4.28Å; W67-F163 AromaticContact CH2-CE2 3.73Å; W67-F163 HydrophobicContact CH2-CE2 3.73Å; W67-F163 AromaticContact CH2-CZ 3.69Å; W67-F163 HydrophobicContact CH2-CZ 3.69Å; W67-F163 HydrophobicContact CZ2-CE2 4.07Å; W67-F163 HydrophobicContact CZ2-CZ 4.31Å; W67-F163 HydrophobicContact CZ3-CE2 4.2Å; W67-F163 AromaticContact CZ3-CZ 3.67Å; W67-F163 HydrophobicContact CZ3-CZ 3.67Å; W67-V186 HydrophobicContact CB-CG2 4.42Å; W67-E188 VanDerWaalsContact CD1-CD 3.5Å; W67-E188 VanDerWaalsContact CD1-OE1 3.26Å; W67-E188 PolarHBondContact NE1-OE1 2.91Å
68G89.9Confident94.9Very high52 Ų5255.3 Ų55.354%0.53630%0.296SS..THydrogen-bonded Turntrans-64.8-49.3-169.700000113.7E70 C71G68-E70 VanDerWaalsContact C-N 3.25Å; G68-E70 PolarHBondContact O-N 3.14Å; G68-C71 PolarHBondContact O-N 3.35Å
69S89Confident94.8Very high80 Ų8054.4 Ų54.456%0.55929%0.291SS*.THydrogen-bonded Turntrans-59.6-34.6-176.869.10000113.7W67 E188W67-S69 PolarHBondContact NE1-OG 3.37Å; S69-E188 WeakPolarHBondContact CB-OE1 3.5Å; S69-E188 WeakPolarHBondContact CB-OE2 3.41Å; S69-E188 PolarHBondContact N-OE2 3.42Å; S69-E188 PolarHBondContact OG-OE1 3.22Å; S69-E188 VanDerWaalsContact OG-OE1 3.06Å
70E86.6Confident94.7Very high44 Ų4452 Ų5221%0.20629%0.286CS..THydrogen-bonded Turntrans-102.61.1-177.9-59.7-160.2163.800113.8W67 G68 C72 Q111W67-E70 HydrophobicContact CD2-CB 4.2Å; W67-E70 HydrophobicContact CD2-CG 4.04Å; W67-E70 HydrophobicContact CE3-CB 4.31Å; W67-E70 HydrophobicContact CE3-CG 4.19Å; W67-E70 VanDerWaalsContact CH2-CD 3.43Å; W67-E70 HydrophobicContact CH2-CG 4.17Å; W67-E70 WeakPolarHBondContact CH2-OE1 3.45Å; W67-E70 HydrophobicContact CZ2-CG 4Å; W67-E70 VanDerWaalsContact CZ3-CD 3.49Å; W67-E70 HydrophobicContact CZ3-CG 4.27Å; W67-E70 WeakPolarHBondContact CZ3-OE2 3.15Å; G68-E70 VanDerWaalsContact C-N 3.25Å; G68-E70 PolarHBondContact O-N 3.14Å; E70-C72 HydrophobicContact CB-CB 4.33Å; E70-C72 PolarHBondContact O-N 3.4Å; E70-Q111 PolarHBondContact OE1-NE2 3.1Å; E70-Q111 PolarHBondContact OE2-NE2 3.16Å
71C90Very high94.6Very high117 Ų11752 Ų5279%0.79129%0.286SS*.THydrogen-bonded Turntrans50.640.4-175-161.70000112.1W67 G68W67-C71 WeakPolarHBondContact O-CA 3.38Å; W67-C71 PolarHBondContact O-N 2.92Å; G68-C71 PolarHBondContact O-N 3.35Å
72C90.9Very high94.4Very high25 Ų2552.7 Ų52.717%0.16929%0.292CS..EExtended strand (participates in β ladder)trans-110.7115.5-175.4-1750000110.2W67 E70W67-C72 HydrophobicContact CB-CB 4.4Å; W67-C72 PolarHBondContact N-O 3.3Å; W67-C72 PolarHBondContact O-N 2.87Å; W67-C72 VanDerWaalsContact O-N 3.07Å; E70-C72 HydrophobicContact CB-CB 4.33Å; E70-C72 PolarHBondContact O-N 3.4Å
73T94.9Very high94.3Very high61 Ų6155.5 Ų55.537%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-107.8129.1176.4-650000110.3N64 S66N64-T73 VanDerWaalsContact ND2-CG2 3.27Å; N64-T73 WeakPolarHBondContact ND2-CG2 3.42Å; N64-T73 WeakPolarHBondContact OD1-CG2 3.27Å; S66-T73 WeakPolarHBondContact CB-OG1 3.26Å; S66-T73 PolarHBondContact OG-OG1 2.98Å
74R95Very high94Very high125 Ų12555.4 Ų55.447%0.47230%0.297SS..EExtended strand (participates in β ladder)trans-137.8143.9-177.5-66-69.4-178.8-1187.2111N64 F65 T76 P108 Y109N64-R74 VanDerWaalsContact OD1-C 3.23Å; N64-R74 PolarHBondContact OD1-O 3.42Å; F65-R74 PolarHBondContact N-O 3.24Å; F65-R74 PolarHBondContact O-N 2.91Å; R74-T76 HydrophobicContact CB-CG2 4.11Å; R74-T76 PolarHBondContact O-N 3.01Å; R74-P108 HydrophobicContact CB-CB 4.02Å; R74-P108 HydrophobicContact CG-CB 4.38Å; R74-P108 WeakPolarHBondContact CG-O 3.5Å; R74-Y109 HydrophobicContact CB-CD1 4.29Å; R74-Y109 HydrophobicContact CB-CE1 3.92Å; R74-Y109 HydrophobicContact CG-CD1 4.08Å; R74-Y109 HydrophobicContact CG-CE1 4.12Å
75K96.2Very high93.6Very high149 Ų14955.5 Ų55.565%0.64831%0.308SS*.EExtended strand (participates in β ladder)trans-74.8116.2167.7-177.1-175.8175.9-169.30107.9G63G63-K75 WeakPolarHBondContact O-CA 3.31Å
76T95.8Very high93.3Very high3 Ų360.8 Ų60.82%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-126.7157.7-178.864.10000110.6V62 G63 F65 R74 P108 Y109V62-T76 WeakPolarHBondContact CA-O 3.44Å; G63-T76 PolarHBondContact N-O 3.24Å; G63-T76 PolarHBondContact O-N 3.31Å; F65-T76 WeakPolarHBondContact CD2-OG1 3.41Å; R74-T76 HydrophobicContact CB-CG2 4.11Å; R74-T76 PolarHBondContact O-N 3.01Å; T76-P108 HydrophobicContact CG2-CB 3.94Å; T76-P108 HydrophobicContact CG2-CG 3.73Å; T76-Y109 HydrophobicContact CG2-CD2 4.18Å; T76-Y109 HydrophobicContact CG2-CE2 3.44Å; T76-Y109 VanDerWaalsContact CG2-CE2 3.44Å
77R97.2Very high93Very high132 Ų13262.8 Ų62.850%0.49835%0.352SS..EExtended strand (participates in β ladder)trans-82.3135176.7-170.517661.9112.3-1.6109.5D61 I104 D105D61-R77 CarbonylContact O-C 3.57Å; D61-R77 WeakPolarHBondContact O-CA 3.37Å; D61-R77 WeakPolarHBondContact O-CG 3.26Å; R77-I104 WeakPolarHBondContact O-CA 3.48Å; R77-D105 HydrophobicContact CB-CB 4.35Å; R77-D105 PolarHBondContact O-N 3.04Å
78I97.2Very high92.9Very high2 Ų268 Ų681%0.0138%0.38CS..EExtended strand (participates in β ladder)trans-84.7121.2171.7-56.9172.1000107.3I38 D61 F65 L96 V102 A182I38-I78 HydrophobicContact CD1-CG2 4.03Å; I38-I78 HydrophobicContact CG1-CG2 4.33Å; D61-I78 PolarHBondContact O-N 3.41Å; F65-I78 HydrophobicContact CE2-CD1 4.13Å; F65-I78 HydrophobicContact CE2-CG1 3.74Å; F65-I78 HydrophobicContact CZ-CD1 4.07Å; F65-I78 HydrophobicContact CZ-CG1 3.92Å; I78-L96 HydrophobicContact CD1-CD1 4.13Å; I78-L96 HydrophobicContact CG2-CD2 4.15Å; I78-V102 HydrophobicContact CG2-CB 4.17Å; I78-V102 HydrophobicContact CG2-CG1 4.26Å; I78-A182 HydrophobicContact CD1-CB 3.59Å
79I96.1Very high93.2Very high39 Ų3969.7 Ų69.720%0.237%0.374CS..EExtended strand (participates in β ladder)trans-94.8-54.3-174.5-57.6169.2000109.6L103 D105 K167I79-L103 HydrophobicContact CB-CB 4.31Å; I79-L103 WeakPolarHBondContact CB-O 3.38Å; I79-L103 PolarHBondContact N-O 3.1Å; I79-D105 HydrophobicContact CD1-CB 4.39Å; I79-K167 HydrophobicContact CD1-CB 4.43Å; I79-K167 HydrophobicContact CD1-CD 4.01Å; I79-K167 HydrophobicContact CD1-CG 3.76Å
80D96.2Very high93.3Very high47 Ų4767.8 Ų67.825%0.25136%0.357SS..EExtended strand (participates in β ladder)trans-150.5164.1-177.3-146.3-5.1000113.2K94 V102 L103D80-K94 VanDerWaalsContact OD1-CD 3.24Å; D80-K94 WeakPolarHBondContact OD1-CD 3.42Å; D80-K94 WeakPolarHBondContact OD1-CE 3.15Å; D80-K94 IonicContact OD1-NZ 3.12Å; D80-K94 PolarHBondContact OD1-NZ 3.16Å; D80-K94 IonicContact OD2-NZ 2.77Å; D80-K94 PolarHBondContact OD2-NZ 3.21Å; D80-V102 CarbonylContact O-C 3.54Å; D80-V102 WeakPolarHBondContact O-CA 3.4Å; D80-V102 WeakPolarHBondContact O-CB 3.31Å; D80-L103 HydrophobicContact CB-CD1 4.46Å; D80-L103 PolarHBondContact N-O 3.19Å; D80-L103 PolarHBondContact O-N 2.84Å
81V94.9Very high93.7Very high5 Ų567.3 Ų67.33%0.0336%0.357CS..EExtended strand (participates in β ladder)trans-99.2124.1168.71790000108.5I38 V91 K94 L96 C100 V102I38-V81 HydrophobicContact CD1-CG2 4.1Å; V81-V91 HydrophobicContact CG1-CG2 4.35Å; V81-K94 HydrophobicContact CG2-CB 4.43Å; V81-L96 HydrophobicContact CG2-CD2 3.73Å; V81-C100 WeakPolarHBondContact CG1-SG 3.45Å; V81-V102 HydrophobicContact CG2-CG1 4.14Å
82V94.3Very high93.9Very high69 Ų6970.6 Ų70.642%0.41835%0.353SS..EExtended strand (participates in β ladder)trans-102.5-45-176.9179.80000111.7V91 I101 L103 L169V82-V91 VanDerWaalsContact O-CG1 3.31Å; V82-V91 WeakPolarHBondContact O-CG1 3.34Å; V82-I101 PolarHBondContact N-O 3.06Å; V82-L103 HydrophobicContact CG2-CB 4.5Å; V82-L103 HydrophobicContact CG2-CD1 3.62Å; V82-L103 HydrophobicContact CG2-CD2 4.46Å; V82-L103 HydrophobicContact CG2-CG 3.52Å; V82-L169 HydrophobicContact CG2-CD2 4.18Å
83Y93.4Very high94.1Very high102 Ų10272.6 Ų72.640%0.437%0.365SS..EExtended strand (participates in β ladder)trans-144.5149-173.4175.9-106.5000112.2A85 C100 I101Y83-A85 HydrophobicContact CE1-CB 4.1Å; Y83-C100 PolarHBondContact O-SG 3.39Å; Y83-I101 HydrophobicContact CD1-CG1 3.89Å; Y83-I101 PolarHBondContact N-O 3.27Å; Y83-I101 PolarHBondContact O-N 3.21Å
84N92.1Very high94.2Very high3 Ų374 Ų742%0.01637%0.366CS..  trans-146.1118.1175.1-171.4-36.5000109.9S86 L90 V91 V97N84-S86 PolarHBondContact O-N 3.24Å; N84-S86 PolarHBondContact OD1-N 3.45Å; N84-L90 WeakPolarHBondContact ND2-CB 3.43Å; N84-L90 VanDerWaalsContact ND2-CD1 3.33Å; N84-L90 WeakPolarHBondContact ND2-CD1 3.24Å; N84-V91 HydrophobicContact CB-CG2 3.76Å; N84-V97 WeakPolarHBondContact ND2-CG2 3.47Å
85A89.3Confident94.3Very high73 Ų7368.1 Ų68.160%0.60334%0.344SS*.SBendtrans-65.5-21.5-178.200000114.5Y83Y83-A85 HydrophobicContact CE1-CB 4.1Å
86S90Very high94.4Very high110 Ų11061.2 Ų61.277%0.76931%0.314SS*.SBendtrans-89.5-37.5-175.4-59.30000113.8N84N84-S86 PolarHBondContact O-N 3.24Å; N84-S86 PolarHBondContact OD1-N 3.45Å
87N90.3Very high94.4Very high79 Ų7963.1 Ų63.142%0.42233%0.326SS..  trans-164127.1-175.6-173.9-11.2000111.7E89 L90N87-E89 VanDerWaalsContact C-N 3.33Å; N87-E89 PolarHBondContact O-N 3.24Å; N87-E89 WeakPolarHBondContact OD1-CB 3.49Å; N87-E89 PolarHBondContact OD1-N 3.21Å; N87-L90 HydrophobicContact CB-CD1 4.11Å; N87-L90 HydrophobicContact CB-CG 4.14Å; N87-L90 WeakPolarHBondContact O-CB 3.16Å; N87-L90 PolarHBondContact O-N 3.12Å
88N91.8Very high94.4Very high110 Ų11061.4 Ų61.459%0.58832%0.322SS*.THydrogen-bonded Turntrans-67.8-26.4178.6-67.7-4.6000113.7L90 V91 R92N88-L90 PolarHBondContact O-N 3.21Å; N88-V91 WeakPolarHBondContact O-CB 3.47Å; N88-V91 PolarHBondContact O-N 3.42Å; N88-R92 PolarHBondContact O-N 3.42Å
89E95.1Very high94.3Very high88 Ų8865.8 Ų65.841%0.41135%0.345SS..Hα-helixtrans-64.3-24.9175.7-67.8-58.5141.600112.5N87 V91 R92 T93N87-E89 VanDerWaalsContact C-N 3.33Å; N87-E89 PolarHBondContact O-N 3.24Å; N87-E89 WeakPolarHBondContact OD1-CB 3.49Å; N87-E89 PolarHBondContact OD1-N 3.21Å; E89-V91 VanDerWaalsContact C-N 3.29Å; E89-V91 PolarHBondContact O-N 3.09Å; E89-R92 IonicContact OE1-CZ 3.8Å; E89-R92 IonicContact OE1-NH1 3.68Å; E89-R92 PolarHBondContact OE1-NH1 3.41Å; E89-R92 IonicContact OE2-CZ 2.99Å; E89-R92 IonicContact OE2-NE 3.24Å; E89-R92 IonicContact OE2-NH1 3.5Å; E89-R92 PolarHBondContact OE2-NH1 2.88Å; E89-T93 WeakPolarHBondContact O-CB 3.45Å; E89-T93 WeakPolarHBondContact O-CG2 3.44Å; E89-T93 PolarHBondContact O-N 2.92Å; E89-T93 VanDerWaalsContact O-N 3.09Å; E89-T93 PolarHBondContact O-OG1 3.36Å
90L92.8Very high94.2Very high40 Ų4063.9 Ų63.921%0.20934%0.335CS..Hα-helixtrans-71.3-27.3175.3-62.8176.9000112.2N84 N87 N88 K94 T95 V97N84-L90 WeakPolarHBondContact ND2-CB 3.43Å; N84-L90 VanDerWaalsContact ND2-CD1 3.33Å; N84-L90 WeakPolarHBondContact ND2-CD1 3.24Å; N87-L90 HydrophobicContact CB-CD1 4.11Å; N87-L90 HydrophobicContact CB-CG 4.14Å; N87-L90 WeakPolarHBondContact O-CB 3.16Å; N87-L90 PolarHBondContact O-N 3.12Å; N88-L90 PolarHBondContact O-N 3.21Å; L90-K94 PolarHBondContact O-N 2.84Å; L90-T95 HydrophobicContact CD2-CG2 4.12Å; L90-T95 PolarHBondContact O-N 3.36Å; L90-V97 HydrophobicContact CD1-CG1 4.45Å; L90-V97 HydrophobicContact CD1-CG2 4.43Å
91V93.9Very high94.2Very high34 Ų3462.9 Ų62.921%0.20633%0.33CS..Hα-helixtrans-71.6-52.1173-178.80000109.7V81 V82 N84 N88 E89 T93 K94V81-V91 HydrophobicContact CG1-CG2 4.35Å; V82-V91 VanDerWaalsContact O-CG1 3.31Å; V82-V91 WeakPolarHBondContact O-CG1 3.34Å; N84-V91 HydrophobicContact CB-CG2 3.76Å; N88-V91 WeakPolarHBondContact O-CB 3.47Å; N88-V91 PolarHBondContact O-N 3.42Å; E89-V91 VanDerWaalsContact C-N 3.29Å; E89-V91 PolarHBondContact O-N 3.09Å; V91-T93 PolarHBondContact O-N 2.87Å; V91-K94 PolarHBondContact O-N 2.88Å
92R94.3Very high94.2Very high186 Ų18662.6 Ų62.670%0.70233%0.328SS*.Hα-helixtrans-54.1-41.4179.3-66.2177.569.8-176.66.6112.3N88 E89 K94N88-R92 PolarHBondContact O-N 3.42Å; E89-R92 IonicContact OE1-CZ 3.8Å; E89-R92 IonicContact OE1-NH1 3.68Å; E89-R92 PolarHBondContact OE1-NH1 3.41Å; E89-R92 IonicContact OE2-CZ 2.99Å; E89-R92 IonicContact OE2-NE 3.24Å; E89-R92 IonicContact OE2-NH1 3.5Å; E89-R92 PolarHBondContact OE2-NH1 2.88Å; R92-K94 VanDerWaalsContact C-N 3.34Å
93T96.1Very high94.4Very high67 Ų6761.1 Ų61.141%0.41132%0.317SS..THydrogen-bonded Turntrans-89.74.5-178.964.70000113.9K37 E89 V91 T95K37-T93 WeakPolarHBondContact CD-O 3.23Å; K37-T93 PolarHBondContact NZ-O 3.37Å; K37-T93 PolarHBondContact NZ-OG1 3.17Å; E89-T93 WeakPolarHBondContact O-CB 3.45Å; E89-T93 WeakPolarHBondContact O-CG2 3.44Å; E89-T93 PolarHBondContact O-N 2.92Å; E89-T93 VanDerWaalsContact O-N 3.09Å; E89-T93 PolarHBondContact O-OG1 3.36Å; V91-T93 PolarHBondContact O-N 2.87Å; T93-T95 PolarHBondContact O-N 3.46Å; T93-T95 PolarHBondContact OG1-OG1 2.94Å
94K96.4Very high94.5Very high91 Ų9156.2 Ų56.240%0.39630%0.298SS..THydrogen-bonded Turntrans52.649.3179.5-55.1-173.8179.1-1410113.5I38 D80 V81 L90 V91 R92I38-K94 HydrophobicContact CD1-CB 4.41Å; D80-K94 VanDerWaalsContact OD1-CD 3.24Å; D80-K94 WeakPolarHBondContact OD1-CD 3.42Å; D80-K94 WeakPolarHBondContact OD1-CE 3.15Å; D80-K94 IonicContact OD1-NZ 3.12Å; D80-K94 PolarHBondContact OD1-NZ 3.16Å; D80-K94 IonicContact OD2-NZ 2.77Å; D80-K94 PolarHBondContact OD2-NZ 3.21Å; V81-K94 HydrophobicContact CG2-CB 4.43Å; L90-K94 PolarHBondContact O-N 2.84Å; V91-K94 PolarHBondContact O-N 2.88Å; R92-K94 VanDerWaalsContact C-N 3.34Å
95T97.4Very high94.6Very high2 Ų257.7 Ų57.71%0.01231%0.306CS..BIsolated β-bridgetrans-91.7125.8-178-500000111.7N35 T36 K37 L90 T93 V97N35-T95 HydrophobicContact CB-CG2 4.49Å; T36-T95 CarbonylContact O-C 3.51Å; T36-T95 WeakPolarHBondContact O-CA 3.37Å; K37-T95 PolarHBondContact NZ-OG1 3.05Å; L90-T95 HydrophobicContact CD2-CG2 4.12Å; L90-T95 PolarHBondContact O-N 3.36Å; T93-T95 PolarHBondContact O-N 3.46Å; T93-T95 PolarHBondContact OG1-OG1 2.94Å; T95-V97 HydrophobicContact CG2-CG1 4.17Å; T95-V97 PolarHBondContact O-N 3.01Å
96L97.1Very high94.8Very high3 Ų354.6 Ų54.62%0.01628%0.28CS..  trans-85.3112178.1-55.6177.6000111.1T36 I38 L60 I78 V81 V102 I172 P176 A182T36-L96 HydrophobicContact CG2-CB 4.38Å; T36-L96 HydrophobicContact CG2-CD1 4.38Å; T36-L96 PolarHBondContact O-N 3.23Å; I38-L96 HydrophobicContact CD1-CD2 4.39Å; I38-L96 HydrophobicContact CG1-CD1 4.29Å; I38-L96 HydrophobicContact CG1-CD2 3.99Å; I38-L96 HydrophobicContact CG1-CG 4.23Å; L60-L96 HydrophobicContact CB-CD1 4.11Å; I78-L96 HydrophobicContact CD1-CD1 4.13Å; I78-L96 HydrophobicContact CG2-CD2 4.15Å; V81-L96 HydrophobicContact CG2-CD2 3.73Å; L96-V102 HydrophobicContact CD2-CG1 4.07Å; L96-I172 HydrophobicContact CB-CD1 4.25Å; L96-I172 HydrophobicContact CD2-CD1 3.92Å; L96-P176 HydrophobicContact CB-CG 4.32Å; L96-A182 HydrophobicContact CD1-CB 4.45Å
97V97.2Very high94.7Very high44 Ų4453.7 Ų53.727%0.26727%0.27SS..  trans-128.5168.4175.2-610000111N84 L90 T95 C100N84-V97 WeakPolarHBondContact ND2-CG2 3.47Å; L90-V97 HydrophobicContact CD1-CG1 4.45Å; L90-V97 HydrophobicContact CD1-CG2 4.43Å; T95-V97 HydrophobicContact CG2-CG1 4.17Å; T95-V97 PolarHBondContact O-N 3.01Å; V97-C100 HydrophobicContact CG2-CB 3.96Å; V97-C100 VanDerWaalsContact O-CB 3.25Å; V97-C100 WeakPolarHBondContact O-CB 3.35Å; V97-C100 PolarHBondContact O-N 3.36Å
98K96.9Very high94.6Very high96 Ų9652 Ų5242%0.41726%0.263SS..THydrogen-bonded Turntrans-62.4141.9172.7-177.1175.5178.2-177.50109.7C100 A173 S174 R175K98-C100 PolarHBondContact O-N 2.92Å; K98-A173 WeakPolarHBondContact CD-O 3.42Å; K98-A173 VanDerWaalsContact CE-O 3.24Å; K98-A173 WeakPolarHBondContact CE-O 3.33Å; K98-S174 WeakPolarHBondContact CA-O 3.43Å; K98-S174 VanDerWaalsContact CB-O 3.29Å; K98-S174 WeakPolarHBondContact CB-O 3.43Å; K98-R175 HydrophobicContact CB-CG 3.94Å; K98-R175 HydrophobicContact CD-CG 4.04Å; K98-R175 HydrophobicContact CG-CG 4.47Å
99N94.7Very high94.1Very high93 Ų9347 Ų4750%0.49724%0.236SC..THydrogen-bonded Turntrans61.917.3-176.8-65.110.7000114.5I172N99-I172 WeakPolarHBondContact CA-O 3.3Å; N99-I172 PolarHBondContact N-O 2.98Å
100C93.4Very high92.7Very high0 Ų046 Ų460%023%0.229CC..  trans-74.9138.1171.2-151.70000109.5V81 Y83 V97 K98 I172V81-C100 WeakPolarHBondContact CG1-SG 3.45Å; Y83-C100 PolarHBondContact O-SG 3.39Å; V97-C100 HydrophobicContact CG2-CB 3.96Å; V97-C100 VanDerWaalsContact O-CB 3.25Å; V97-C100 WeakPolarHBondContact O-CB 3.35Å; V97-C100 PolarHBondContact O-N 3.36Å; K98-C100 PolarHBondContact O-N 2.92Å; C100-I172 PolarHBondContact O-N 2.83Å
101I96.3Very high91.3Very high25 Ų2544.8 Ų44.813%0.12822%0.222CC..EExtended strand (participates in β ladder)trans-89.6124.7173.2-52.4-49.6000108.8V82 Y83 L169 A170 C171 L187V82-I101 PolarHBondContact N-O 3.06Å; Y83-I101 HydrophobicContact CD1-CG1 3.89Å; Y83-I101 PolarHBondContact N-O 3.27Å; Y83-I101 PolarHBondContact O-N 3.21Å; I101-L169 HydrophobicContact CG2-CD2 4.04Å; I101-A170 CarbonylContact C-O 3.55Å; I101-A170 WeakPolarHBondContact CA-O 3.34Å; I101-C171 HydrophobicContact CD1-CB 3.76Å; I101-L187 HydrophobicContact CD1-CD1 3.96Å; I101-L187 HydrophobicContact CD1-CD2 4.42Å; I101-L187 HydrophobicContact CG2-CD1 3.98Å
102V96.3Very high89.9Confident0 Ų046.4 Ų46.40%024%0.235CC..EExtended strand (participates in β ladder)trans-125.3151.9-175.1-67.10000110.8F65 I78 D80 V81 L96 I104 A170 I172F65-V102 HydrophobicContact CE1-CG2 3.97Å; F65-V102 HydrophobicContact CZ-CG2 3.95Å; I78-V102 HydrophobicContact CG2-CB 4.17Å; I78-V102 HydrophobicContact CG2-CG1 4.26Å; D80-V102 CarbonylContact O-C 3.54Å; D80-V102 WeakPolarHBondContact O-CA 3.4Å; D80-V102 WeakPolarHBondContact O-CB 3.31Å; V81-V102 HydrophobicContact CG2-CG1 4.14Å; L96-V102 HydrophobicContact CD2-CG1 4.07Å; V102-I104 HydrophobicContact CG2-CG2 3.96Å; V102-A170 HydrophobicContact CG2-CB 4.26Å; V102-A170 WeakPolarHBondContact CG2-O 3.44Å; V102-A170 PolarHBondContact N-O 3.23Å; V102-A170 PolarHBondContact O-N 3.1Å; V102-I172 HydrophobicContact CG1-CD1 3.8Å; V102-I172 HydrophobicContact CG1-CG1 4.23Å; V102-I172 HydrophobicContact CG2-CD1 4.34Å; V102-I172 HydrophobicContact CG2-CG1 4.01Å
103L96.8Very high89Confident37 Ų3741.4 Ų41.419%0.19422%0.219CC..EExtended strand (participates in β ladder)trans-87.3126.4165.1-74.9165.2000108.9I79 D80 V82 K167 L168 L169I79-L103 HydrophobicContact CB-CB 4.31Å; I79-L103 WeakPolarHBondContact CB-O 3.38Å; I79-L103 PolarHBondContact N-O 3.1Å; D80-L103 HydrophobicContact CB-CD1 4.46Å; D80-L103 PolarHBondContact N-O 3.19Å; D80-L103 PolarHBondContact O-N 2.84Å; V82-L103 HydrophobicContact CG2-CB 4.5Å; V82-L103 HydrophobicContact CG2-CD1 3.62Å; V82-L103 HydrophobicContact CG2-CD2 4.46Å; V82-L103 HydrophobicContact CG2-CG 3.52Å; L103-K167 HydrophobicContact CD2-CB 4.1Å; L103-L168 WeakPolarHBondContact CA-O 3.14Å; L103-L169 HydrophobicContact CD2-CD2 3.59Å; L103-L169 HydrophobicContact CD2-CG 4.19Å; L103-L169 HydrophobicContact CG-CD2 4.12Å
104I96.6Very high88.1Confident0 Ų039.9 Ų39.90%021%0.206CC..EExtended strand (participates in β ladder)trans-116.3157174.765.1170.1000110.5F65 R77 V102 Y109 K167 L168 A170 V186F65-I104 HydrophobicContact CB-CD1 3.8Å; F65-I104 HydrophobicContact CD1-CD1 4.28Å; F65-I104 HydrophobicContact CD1-CG2 4.27Å; F65-I104 HydrophobicContact CD2-CD1 4.29Å; F65-I104 HydrophobicContact CD2-CG2 3.95Å; F65-I104 HydrophobicContact CE1-CG2 3.99Å; F65-I104 HydrophobicContact CE2-CG2 3.64Å; F65-I104 HydrophobicContact CG-CD1 3.89Å; F65-I104 HydrophobicContact CG-CG2 4.24Å; F65-I104 HydrophobicContact CZ-CG2 3.66Å; R77-I104 WeakPolarHBondContact O-CA 3.48Å; V102-I104 HydrophobicContact CG2-CG2 3.96Å; I104-Y109 HydrophobicContact CD1-CE2 3.78Å; I104-K167 CarbonylContact O-C 3.54Å; I104-K167 VanDerWaalsContact O-CA 3.27Å; I104-K167 WeakPolarHBondContact O-CA 3.33Å; I104-L168 HydrophobicContact CD1-CB 4.38Å; I104-L168 HydrophobicContact CG1-CB 3.88Å; I104-L168 WeakPolarHBondContact CG1-O 3.34Å; I104-L168 PolarHBondContact N-O 3.01Å; I104-L168 PolarHBondContact O-N 3.25Å; I104-A170 HydrophobicContact CD1-CB 3.75Å; I104-A170 HydrophobicContact CG1-CB 4.02Å; I104-A170 HydrophobicContact CG2-CB 4Å; I104-V186 HydrophobicContact CD1-CG2 4.05Å
105D94.8Very high87.2Confident33 Ų3336 Ų3618%0.17619%0.191CC..EExtended strand (participates in β ladder)trans-65.8130.5173.1-167.2-14.5000111.3R77 I79 T107R77-D105 HydrophobicContact CB-CB 4.35Å; R77-D105 PolarHBondContact O-N 3.04Å; I79-D105 HydrophobicContact CD1-CB 4.39Å; D105-T107 WeakPolarHBondContact OD1-CB 3.39Å; D105-T107 VanDerWaalsContact OD1-CG2 3.32Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.34Å; D105-T107 PolarHBondContact OD1-N 3.18Å; D105-T107 PolarHBondContact OD1-OG1 3.46Å; D105-T107 PolarHBondContact OD2-OG1 2.88Å
106S91.8Very high86.3Confident9 Ų939 Ų396%0.06321%0.206CC..SBendtrans-84.5-20.4179.574.20000113.3P108 Y109 G166S106-P108 VanDerWaalsContact C-CD 3.4Å; S106-P108 VanDerWaalsContact C-N 3.34Å; S106-Y109 PolarHBondContact O-N 3.26Å; S106-Y109 VanDerWaalsContact O-N 3.07Å; S106-G166 PolarHBondContact N-O 2.74Å; S106-G166 VanDerWaalsContact OG-CA 3.24Å; S106-G166 WeakPolarHBondContact OG-CA 3.44Å; S106-G166 PolarHBondContact OG-O 3.18Å
107T88Confident85.3Confident91 Ų9142.2 Ų42.256%0.55823%0.228SC*.G310 helixtrans-54.1-38.6-171.856.60000114.3D105 Y109 W110D105-T107 WeakPolarHBondContact OD1-CB 3.39Å; D105-T107 VanDerWaalsContact OD1-CG2 3.32Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.34Å; D105-T107 PolarHBondContact OD1-N 3.18Å; D105-T107 PolarHBondContact OD1-OG1 3.46Å; D105-T107 PolarHBondContact OD2-OG1 2.88Å; T107-Y109 VanDerWaalsContact C-N 3.25Å; T107-Y109 PolarHBondContact O-N 2.88Å; T107-W110 VanDerWaalsContact O-CB 3.23Å; T107-W110 WeakPolarHBondContact O-CB 3.42Å; T107-W110 PolarHBondContact O-N 3.07Å
108P88.7Confident84.3Confident43 Ų4341.2 Ų41.228%0.27922%0.221SC..G310 helixtrans-73.6-15.3-176.9-20.838.6000114.1R74 T76 S106R74-P108 HydrophobicContact CB-CB 4.02Å; R74-P108 HydrophobicContact CG-CB 4.38Å; R74-P108 WeakPolarHBondContact CG-O 3.5Å; T76-P108 HydrophobicContact CG2-CB 3.94Å; T76-P108 HydrophobicContact CG2-CG 3.73Å; S106-P108 VanDerWaalsContact C-CD 3.4Å; S106-P108 VanDerWaalsContact C-N 3.34Å
109Y82.4Confident83Confident4 Ų437.4 Ų37.42%0.01621%0.209CC..G310 helixtrans-83.20.3175.6-63.8-75.1000112.9F65 W67 R74 T76 I104 S106 T107 Q111 L168 V186F65-Y109 WeakPolarHBondContact CB-OH 3.32Å; F65-Y109 PolarHBondContact O-OH 3.19Å; W67-Y109 HydrophobicContact CB-CD1 4.06Å; W67-Y109 HydrophobicContact CB-CE1 3.97Å; W67-Y109 HydrophobicContact CE3-CD1 4.16Å; W67-Y109 HydrophobicContact CE3-CG 4.44Å; R74-Y109 HydrophobicContact CB-CD1 4.29Å; R74-Y109 HydrophobicContact CB-CE1 3.92Å; R74-Y109 HydrophobicContact CG-CD1 4.08Å; R74-Y109 HydrophobicContact CG-CE1 4.12Å; T76-Y109 HydrophobicContact CG2-CD2 4.18Å; T76-Y109 HydrophobicContact CG2-CE2 3.44Å; T76-Y109 VanDerWaalsContact CG2-CE2 3.44Å; I104-Y109 HydrophobicContact CD1-CE2 3.78Å; S106-Y109 PolarHBondContact O-N 3.26Å; S106-Y109 VanDerWaalsContact O-N 3.07Å; T107-Y109 VanDerWaalsContact C-N 3.25Å; T107-Y109 PolarHBondContact O-N 2.88Å; Y109-Q111 PolarHBondContact O-N 3.39Å; Y109-L168 HydrophobicContact CD2-CD1 3.6Å; Y109-L168 HydrophobicContact CE2-CD1 3.95Å; Y109-L168 HydrophobicContact CG-CD1 4.29Å; Y109-V186 HydrophobicContact CE2-CG2 4.33Å
110W65.4Low81.8Confident68 Ų6836 Ų3626%0.25820%0.197SC..  trans-54.7124.3177.6-179.5-109.2000112.5T107 S112 P117 L118 L134T107-W110 VanDerWaalsContact O-CB 3.23Å; T107-W110 WeakPolarHBondContact O-CB 3.42Å; T107-W110 PolarHBondContact O-N 3.07Å; W110-S112 PolarHBondContact O-N 3.08Å; W110-P117 HydrophobicContact CH2-CB 4.28Å; W110-L118 HydrophobicContact CE3-CB 4.28Å; W110-L118 HydrophobicContact CZ3-CB 3.86Å; W110-L118 VanDerWaalsContact CZ3-O 3.28Å; W110-L118 WeakPolarHBondContact CZ3-O 3.39Å; W110-L134 HydrophobicContact CZ2-CD1 3.93Å
111Q63.5Low80.8Confident14 Ų1443.6 Ų43.67%0.06523%0.23CC..  trans-88.989.1-169.3-71163.29.100112.2E70 Y109 H113 Y114E70-Q111 PolarHBondContact OE1-NE2 3.1Å; E70-Q111 PolarHBondContact OE2-NE2 3.16Å; Y109-Q111 PolarHBondContact O-N 3.39Å; Q111-H113 HydrophobicContact CB-CB 4.47Å; Q111-H113 PolarHBondContact O-N 2.89Å; Q111-H113 VanDerWaalsContact O-N 3.08Å; Q111-Y114 HydrophobicContact CB-CD2 3.98Å; Q111-Y114 HydrophobicContact CG-CD2 3.88Å; Q111-Y114 HydrophobicContact CG-CE2 4.32Å
112S63.1Low79.6Confident68 Ų6852.5 Ų52.548%0.47627%0.268SS..THydrogen-bonded Turntrans-55.7-15.8150.7-65.70000112.3W110 Y146W110-S112 PolarHBondContact O-N 3.08Å; S112-Y146 PolarHBondContact O-OH 3.47Å
113H76.1Confident78.2Confident82 Ų8256.6 Ų56.638%0.3831%0.31SS..THydrogen-bonded Turntrans-72.9-36.6-174-171.7-101000114.8Q111 Y146 R149Q111-H113 HydrophobicContact CB-CB 4.47Å; Q111-H113 PolarHBondContact O-N 2.89Å; Q111-H113 VanDerWaalsContact O-N 3.08Å; H113-Y146 WeakPolarHBondContact O-CD1 3.47Å; H113-Y146 WeakPolarHBondContact O-CE1 3.35Å; H113-R149 PolarHBondContact NE2-NE 3.49Å; H113-R149 PolarHBondContact NE2-NH2 2.68Å; H113-R149 PolarHBondContact O-NH1 2.85Å; H113-R149 VanDerWaalsContact O-NH1 3.13Å
114Y77.6Confident77.1Confident35 Ų3557.6 Ų57.614%0.13732%0.324CS..THydrogen-bonded Turntrans-106.6-12.3-176.4-64.1-86.6000113.5Q111 L116 R149 K150 A153Q111-Y114 HydrophobicContact CB-CD2 3.98Å; Q111-Y114 HydrophobicContact CG-CD2 3.88Å; Q111-Y114 HydrophobicContact CG-CE2 4.32Å; Y114-L116 PolarHBondContact O-N 3.48Å; Y114-R149 HydrophobicContact CD1-CB 3.93Å; Y114-R149 HydrophobicContact CE1-CB 4.19Å; Y114-K150 VanDerWaalsContact O-CE 3.26Å; Y114-K150 WeakPolarHBondContact O-CE 3.45Å; Y114-A153 HydrophobicContact CD1-CB 3.54Å; Y114-A153 HydrophobicContact CE1-CB 4Å; Y114-A153 HydrophobicContact CG-CB 4.07Å
115A78Confident75.9Confident9 Ų967 Ų677%0.07436%0.364CS..THydrogen-bonded Turntrans5045.3-176.600000111.8L134 Y146A115-L134 WeakPolarHBondContact O-CD2 3.41Å; A115-Y146 HydrophobicContact CB-CD1 3.79Å; A115-Y146 HydrophobicContact CB-CE1 3.91Å
116L77.4Confident74.6Confident64 Ų6467.9 Ų67.934%0.33537%0.369SS..  trans-125141.4174.4-71.8174.5000108.5Y114 L118 K150 A153Y114-L116 PolarHBondContact O-N 3.48Å; L116-L118 PolarHBondContact O-N 2.98Å; L116-K150 HydrophobicContact CD1-CG 4.06Å; L116-K150 HydrophobicContact CD2-CD 4.17Å; L116-K150 HydrophobicContact CD2-CG 4.39Å; L116-K150 HydrophobicContact CG-CD 4.39Å; L116-K150 HydrophobicContact CG-CG 4.13Å; L116-A153 HydrophobicContact CD1-CB 3.73Å
117P76.1Confident73.7Confident71 Ų7170.7 Ų70.746%0.46139%0.385SS..  trans-74125.2173.730.2-30.8000109.7W110 L134W110-P117 HydrophobicContact CH2-CB 4.28Å; P117-L134 HydrophobicContact CB-CD1 4.35Å
118L75.8Confident73.1Confident23 Ų2371.3 Ų71.312%0.1239%0.391CS..  trans-107146.7177.6-168.762.9000111.4W110 L116 R120 I155 F163W110-L118 HydrophobicContact CE3-CB 4.28Å; W110-L118 HydrophobicContact CZ3-CB 3.86Å; W110-L118 VanDerWaalsContact CZ3-O 3.28Å; W110-L118 WeakPolarHBondContact CZ3-O 3.39Å; L116-L118 PolarHBondContact O-N 2.98Å; L118-R120 VanDerWaalsContact C-N 3.34Å; L118-R120 PolarHBondContact O-N 3.17Å; L118-I155 HydrophobicContact CD1-CD1 3.64Å; L118-I155 HydrophobicContact CD2-CD1 3.82Å; L118-I155 HydrophobicContact CG-CD1 4.41Å; L118-F163 HydrophobicContact CD2-CB 4.42Å; L118-F163 HydrophobicContact CD2-CD1 3.85Å; L118-F163 HydrophobicContact CD2-CD2 3.68Å; L118-F163 HydrophobicContact CD2-CE1 3.97Å; L118-F163 HydrophobicContact CD2-CE2 3.82Å; L118-F163 HydrophobicContact CD2-CG 3.72Å; L118-F163 HydrophobicContact CD2-CZ 3.96Å; L118-F163 HydrophobicContact CG-CB 4.18Å; L118-F163 HydrophobicContact CG-CD1 4.41Å; L118-F163 HydrophobicContact CG-CD2 4.22Å; L118-F163 HydrophobicContact CG-CG 4.03Å
119G69.3Low72.3Confident17 Ų1776.4 Ų76.418%0.17541%0.411CS..SBendtrans61.833.216900000115.4Q164G119-Q164 WeakPolarHBondContact O-CA 3.19Å
120R71.5Confident71.7Confident62 Ų6278.8 Ų78.823%0.23442%0.422CS..  trans-106.3141.5176.5-62.6-167.8-165.1-136-0.5112L118 K122 L126 E130L118-R120 VanDerWaalsContact C-N 3.34Å; L118-R120 PolarHBondContact O-N 3.17Å; R120-K122 PolarHBondContact O-N 2.64Å; R120-L126 VanDerWaalsContact NH1-CA 3.31Å; R120-L126 VanDerWaalsContact NH1-CG 3.28Å; R120-E130 IonicContact CZ-OE1 3.42Å; R120-E130 IonicContact CZ-OE2 3.94Å; R120-E130 IonicContact NH1-OE2 3.89Å; R120-E130 PolarHBondContact NH1-OE2 3.48Å; R120-E130 IonicContact NH2-OE1 2.88Å; R120-E130 PolarHBondContact NH2-OE1 3.09Å; R120-E130 IonicContact NH2-OE2 3.94Å; R120-E130 PolarHBondContact NH2-OE2 3.26Å
121K71.8Confident72.1Confident160 Ų16079.3 Ų79.370%0.69643%0.428SS*.  trans-64.9131167.4-165.5175.8-178.5-179.20108.8G123 A124K121-G123 PolarHBondContact O-N 2.88Å; K121-G123 VanDerWaalsContact O-N 3.16Å; K121-A124 WeakPolarHBondContact O-CB 3.43Å; K121-A124 PolarHBondContact O-N 2.67Å; K121-A124 VanDerWaalsContact O-N 3.1Å
122K70.4Confident72.6Confident213 Ų21385.8 Ų85.893%0.92646%0.458SS*.THydrogen-bonded Turntrans-52.5121.5176-69.3179.7179.7177.70109.6R120R120-K122 PolarHBondContact O-N 2.64Å
123G66.3Low73.1Confident85 Ų8586 Ų8688%0.87645%0.453SS*.THydrogen-bonded Turntrans94.5-1.9178.800000116.5K121K121-G123 PolarHBondContact O-N 2.88Å; K121-G123 VanDerWaalsContact O-N 3.16Å
124A75.3Confident73Confident59 Ų5983.3 Ų83.349%0.48844%0.441SS..PPolyproline II helixtrans-73.5131.9172.100000111K121K121-A124 WeakPolarHBondContact O-CB 3.43Å; K121-A124 PolarHBondContact O-N 2.67Å; K121-A124 VanDerWaalsContact O-N 3.1Å
125K69.9Low72.9Confident197 Ų19787.4 Ų87.486%0.85747%0.466SS*.PPolyproline II helixtrans-63.1143.5174.5-67.5-175.5177.8-178.20110.1
126L67.8Low73.1Confident52 Ų5293.7 Ų93.727%0.27249%0.491SS..PPolyproline II helixtrans-75150.6173.6-65.4101.5000110.2R120 E130 E131 L134R120-L126 VanDerWaalsContact NH1-CA 3.31Å; R120-L126 VanDerWaalsContact NH1-CG 3.28Å; L126-E130 HydrophobicContact CD2-CB 4.35Å; L126-E131 HydrophobicContact CB-CB 4.15Å; L126-E131 HydrophobicContact CB-CG 3.62Å; L126-E131 WeakPolarHBondContact CB-OE1 3.47Å; L126-E131 HydrophobicContact CD1-CG 4.04Å; L126-E131 HydrophobicContact CD2-CG 4.37Å; L126-E131 HydrophobicContact CG-CG 4.2Å; L126-L134 HydrophobicContact CD2-CD1 3.76Å
127T73.7Confident73.4Confident67 Ų67100.6 Ų100.641%0.41152%0.519SS..PPolyproline II helixtrans-70.4151166.862.50000108.9E129 E130 E131T127-E129 PolarHBondContact O-N 3.11Å; T127-E130 PolarHBondContact N-OE2 2.87Å; T127-E130 PolarHBondContact O-N 3.37Å; T127-E130 VanDerWaalsContact O-N 3.09Å; T127-E130 WeakPolarHBondContact OG1-CG 3.4Å; T127-E130 PolarHBondContact OG1-OE2 3.19Å; T127-E131 PolarHBondContact O-N 3.47Å
128P74.7Confident73.9Confident104 Ų104100 Ų10068%0.67551%0.507SS*.Hα-helixtrans-55-39.7-176.3-24.232.5000113E130 E131 E132P128-E130 PolarHBondContact O-N 3.1Å; P128-E131 PolarHBondContact O-N 3.28Å; P128-E132 WeakPolarHBondContact O-CB 3.33Å; P128-E132 PolarHBondContact O-N 3.23Å
129E72.9Confident74.7Confident151 Ų151102 Ų10271%0.70652%0.523SS*.Hα-helixtrans-64-40.9179.8-61.5-178.9178.600112.3T127 I133T127-E129 PolarHBondContact O-N 3.11Å; E129-I133 WeakPolarHBondContact O-CD1 3.39Å; E129-I133 VanDerWaalsContact O-CG1 3.25Å; E129-I133 WeakPolarHBondContact O-CG1 3.39Å; E129-I133 PolarHBondContact O-N 2.96Å
130E70.1Confident75.8Confident53 Ų53110.6 Ų110.625%0.24856%0.556CS.*Hα-helixtrans-75.6-36.6-179.3-64168.5131.500111.7R120 L126 T127 P128 E132 I133 L134R120-E130 IonicContact CZ-OE1 3.42Å; R120-E130 IonicContact CZ-OE2 3.94Å; R120-E130 IonicContact NH1-OE2 3.89Å; R120-E130 PolarHBondContact NH1-OE2 3.48Å; R120-E130 IonicContact NH2-OE1 2.88Å; R120-E130 PolarHBondContact NH2-OE1 3.09Å; R120-E130 IonicContact NH2-OE2 3.94Å; R120-E130 PolarHBondContact NH2-OE2 3.26Å; L126-E130 HydrophobicContact CD2-CB 4.35Å; T127-E130 PolarHBondContact N-OE2 2.87Å; T127-E130 PolarHBondContact O-N 3.37Å; T127-E130 VanDerWaalsContact O-N 3.09Å; T127-E130 WeakPolarHBondContact OG1-CG 3.4Å; T127-E130 PolarHBondContact OG1-OE2 3.19Å; P128-E130 PolarHBondContact O-N 3.1Å; E130-E132 VanDerWaalsContact C-N 3.34Å; E130-I133 PolarHBondContact O-N 3.2Å; E130-L134 WeakPolarHBondContact O-CB 3.3Å; E130-L134 WeakPolarHBondContact O-CD1 3.37Å; E130-L134 PolarHBondContact O-N 3.45Å
131E72.4Confident76.9Confident79 Ų79116.6 Ų116.637%0.36958%0.583SS.*Hα-helixtrans-61.4-43173.7-118.9164.1-143.900111.2L126 T127 P128 L134 N135L126-E131 HydrophobicContact CB-CB 4.15Å; L126-E131 HydrophobicContact CB-CG 3.62Å; L126-E131 WeakPolarHBondContact CB-OE1 3.47Å; L126-E131 HydrophobicContact CD1-CG 4.04Å; L126-E131 HydrophobicContact CD2-CG 4.37Å; L126-E131 HydrophobicContact CG-CG 4.2Å; T127-E131 PolarHBondContact O-N 3.47Å; P128-E131 PolarHBondContact O-N 3.28Å; E131-L134 PolarHBondContact O-N 3.39Å; E131-N135 VanDerWaalsContact O-CB 3.29Å; E131-N135 WeakPolarHBondContact O-CB 3.37Å; E131-N135 PolarHBondContact O-N 2.97Å
132E73.9Confident77.7Confident150 Ų150112.6 Ų112.670%0.70157%0.569SS**Hα-helixtrans-64-43.3177.3-165.2-174.816600111.7P128 E130 K136P128-E132 WeakPolarHBondContact O-CB 3.33Å; P128-E132 PolarHBondContact O-N 3.23Å; E130-E132 VanDerWaalsContact C-N 3.34Å; E132-K136 WeakPolarHBondContact O-CA 3.37Å; E132-K136 WeakPolarHBondContact O-CB 3.48Å; E132-K136 PolarHBondContact O-N 2.93Å
133I74.4Confident78.6Confident74 Ų74105.6 Ų105.638%0.37954%0.539SS..Hα-helixtrans-66.8-41.6178.7-66.7164.5000111.3E129 E130 R138E129-I133 WeakPolarHBondContact O-CD1 3.39Å; E129-I133 VanDerWaalsContact O-CG1 3.25Å; E129-I133 WeakPolarHBondContact O-CG1 3.39Å; E129-I133 PolarHBondContact O-N 2.96Å; E130-I133 PolarHBondContact O-N 3.2Å; I133-R138 PolarHBondContact O-NH2 3.07Å
134L74Confident79.9Confident24 Ų24108 Ų10813%0.12653%0.526CS..Hα-helixtrans-70.4-49.3-179.8-99.3131.3000111.9W110 A115 P117 L126 E130 E131 K136 R138W110-L134 HydrophobicContact CZ2-CD1 3.93Å; A115-L134 WeakPolarHBondContact O-CD2 3.41Å; P117-L134 HydrophobicContact CB-CD1 4.35Å; L126-L134 HydrophobicContact CD2-CD1 3.76Å; E130-L134 WeakPolarHBondContact O-CB 3.3Å; E130-L134 WeakPolarHBondContact O-CD1 3.37Å; E130-L134 PolarHBondContact O-N 3.45Å; E131-L134 PolarHBondContact O-N 3.39Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.47Å; L134-R138 PolarHBondContact O-NH1 3.49Å
135N75.6Confident80.6Confident121 Ų121110.4 Ų110.465%0.64753%0.525SS*.Hα-helixtrans-91.59.8-173-63.3-31.8000113.8E131 K137E131-N135 VanDerWaalsContact O-CB 3.29Å; E131-N135 WeakPolarHBondContact O-CB 3.37Å; E131-N135 PolarHBondContact O-N 2.97Å; N135-K137 PolarHBondContact O-N 3.01Å; N135-K137 VanDerWaalsContact O-N 3.14Å
136K82.4Confident81.5Confident142 Ų142102.9 Ų102.962%0.61749%0.492SS*.  trans-50.1123.2175-169.5165.9-174.9165.20110.7E132 L134 R138E132-K136 WeakPolarHBondContact O-CA 3.37Å; E132-K136 WeakPolarHBondContact O-CB 3.48Å; E132-K136 PolarHBondContact O-N 2.93Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.47Å; K136-R138 WeakPolarHBondContact O-CG 3.29Å; K136-R138 PolarHBondContact O-N 3.09Å; K136-R138 PolarHBondContact O-NH1 3.24Å
137K84.2Confident82.5Confident208 Ų208103.7 Ų103.790%0.90450%0.496SS*.  trans-59.4121172-70.7-177.1-178.7176.40108.6N135N135-K137 PolarHBondContact O-N 3.01Å; N135-K137 VanDerWaalsContact O-N 3.14Å
138R85.5Confident83.3Confident60 Ų60105.3 Ų105.323%0.22650%0.499CS..  trans-116.6151-177.6-72.6165.5-175.7105.8-2.1109.7I133 L134 K136 I142I133-R138 PolarHBondContact O-NH2 3.07Å; L134-R138 PolarHBondContact O-NH1 3.49Å; K136-R138 WeakPolarHBondContact O-CG 3.29Å; K136-R138 PolarHBondContact O-N 3.09Å; K136-R138 PolarHBondContact O-NH1 3.24Å; R138-I142 HydrophobicContact CB-CB 4.24Å; R138-I142 HydrophobicContact CB-CG2 3.94Å; R138-I142 HydrophobicContact CG-CG2 3.95Å
139S93Very high84Confident65 Ų65103.3 Ų103.346%0.45548%0.478SS..  trans-65.7155173.2700000110.9K141 I142 Q143S139-K141 PolarHBondContact O-N 2.96Å; S139-K141 VanDerWaalsContact O-N 3.17Å; S139-I142 PolarHBondContact O-N 3.35Å; S139-I142 WeakPolarHBondContact OG-CD1 3.38Å; S139-I142 WeakPolarHBondContact OG-CG1 3.2Å; S139-Q143 PolarHBondContact O-N 2.76Å
140K92.6Very high84.6Confident197 Ų19799.6 Ų99.686%0.85746%0.46SS*.Hα-helixtrans-53.5-39.5-177.5-64.6-177.9-179.8179.50113.2Q143 K144K140-Q143 PolarHBondContact O-N 3.4Å; K140-K144 PolarHBondContact O-N 3.04Å; K140-K144 VanDerWaalsContact O-N 3.1Å
141K93.7Very high85.4Confident188 Ų188104.9 Ų104.982%0.81748%0.482SS*.Hα-helixtrans-64.6-42.5176.5-69.9-176.4178.3-179.80112.3S139 K145S139-K141 PolarHBondContact O-N 2.96Å; S139-K141 VanDerWaalsContact O-N 3.17Å; K141-K145 PolarHBondContact O-N 2.95Å
142I89.8Confident86Confident76 Ų76107.5 Ų107.539%0.3950%0.499SS..Hα-helixtrans-69.6-41.8178.9-66.8173.8000110.1R138 S139 K144 K145 Y146R138-I142 HydrophobicContact CB-CB 4.24Å; R138-I142 HydrophobicContact CB-CG2 3.94Å; R138-I142 HydrophobicContact CG-CG2 3.95Å; S139-I142 PolarHBondContact O-N 3.35Å; S139-I142 WeakPolarHBondContact OG-CD1 3.38Å; S139-I142 WeakPolarHBondContact OG-CG1 3.2Å; I142-K144 PolarHBondContact O-N 2.99Å; I142-K145 WeakPolarHBondContact O-CB 3.34Å; I142-K145 PolarHBondContact O-N 2.98Å; I142-K145 VanDerWaalsContact O-N 3.16Å; I142-Y146 HydrophobicContact CG2-CD2 3.75Å; I142-Y146 HydrophobicContact CG2-CE2 3.55Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.17Å; I142-Y146 PolarHBondContact O-N 3.34Å; I142-Y146 VanDerWaalsContact O-N 3.1Å
143Q89Confident86.5Confident65 Ų65101.2 Ų101.230%0.30447%0.472SS..Hα-helixtrans-58.5-48.6177.9-170.15840.200111.3S139 K140 K145 Y146 D147S139-Q143 PolarHBondContact O-N 2.76Å; K140-Q143 PolarHBondContact O-N 3.4Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 2.82Å; Q143-Y146 PolarHBondContact O-N 2.79Å; Q143-D147 PolarHBondContact NE2-OD1 2.87Å; Q143-D147 VanDerWaalsContact O-CG 3.23Å; Q143-D147 PolarHBondContact O-N 3.09Å
144K92.3Very high87Confident136 Ų136107.2 Ų107.259%0.59150%0.495SS*.Hα-helixtrans-53.8-42.7175-173.6178.1177.8-178.20112.5K140 I142 Y146 D147 E148K140-K144 PolarHBondContact O-N 3.04Å; K140-K144 VanDerWaalsContact O-N 3.1Å; I142-K144 PolarHBondContact O-N 2.99Å; K144-Y146 PolarHBondContact O-N 3.42Å; K144-D147 PolarHBondContact O-N 3.26Å; K144-E148 VanDerWaalsContact CE-OE1 3.32Å; K144-E148 WeakPolarHBondContact CE-OE1 3.33Å; K144-E148 WeakPolarHBondContact O-CG 2.96Å; K144-E148 PolarHBondContact O-N 3.01Å
145K91.3Very high87.5Confident109 Ų109107.6 Ų107.647%0.47450%0.497SS..Hα-helixtrans-61.7-40.5176.4-173.3-176-173.1-177.30112.7K141 I142 Q143 R149K141-K145 PolarHBondContact O-N 2.95Å; I142-K145 WeakPolarHBondContact O-CB 3.34Å; I142-K145 PolarHBondContact O-N 2.98Å; I142-K145 VanDerWaalsContact O-N 3.16Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 2.82Å; K145-R149 WeakPolarHBondContact O-CG 3.25Å; K145-R149 PolarHBondContact O-N 3.38Å
146Y88Confident88.1Confident39 Ų39104.4 Ų104.415%0.15348%0.484CS..Hα-helixtrans-69.9-41.2175.6-82.3-81000111.6S112 H113 A115 I142 Q143 K144 E148 R149 K150S112-Y146 PolarHBondContact O-OH 3.47Å; H113-Y146 WeakPolarHBondContact O-CD1 3.47Å; H113-Y146 WeakPolarHBondContact O-CE1 3.35Å; A115-Y146 HydrophobicContact CB-CD1 3.79Å; A115-Y146 HydrophobicContact CB-CE1 3.91Å; I142-Y146 HydrophobicContact CG2-CD2 3.75Å; I142-Y146 HydrophobicContact CG2-CE2 3.55Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.17Å; I142-Y146 PolarHBondContact O-N 3.34Å; I142-Y146 VanDerWaalsContact O-N 3.1Å; Q143-Y146 PolarHBondContact O-N 2.79Å; K144-Y146 PolarHBondContact O-N 3.42Å; Y146-E148 VanDerWaalsContact C-N 3.27Å; Y146-E148 PolarHBondContact O-N 2.92Å; Y146-R149 PolarHBondContact O-N 3.25Å; Y146-R149 VanDerWaalsContact O-N 3.11Å; Y146-K150 VanDerWaalsContact O-CG 3.31Å; Y146-K150 WeakPolarHBondContact O-CG 3.49Å; Y146-K150 PolarHBondContact O-N 3.18Å
147D88.6Confident88.3Confident70 Ų70101.2 Ų101.237%0.37448%0.48SS..Hα-helixtrans-63-36178.5-60-27.4000111.4Q143 K144Q143-D147 PolarHBondContact NE2-OD1 2.87Å; Q143-D147 VanDerWaalsContact O-CG 3.23Å; Q143-D147 PolarHBondContact O-N 3.09Å; K144-D147 PolarHBondContact O-N 3.26Å
148E91.6Very high88.5Confident101 Ų10194 Ų9447%0.47245%0.451SS..Hα-helixtrans-64-44.1170.8-74.8169.8-171.800112.5K144 Y146 K151K144-E148 VanDerWaalsContact CE-OE1 3.32Å; K144-E148 WeakPolarHBondContact CE-OE1 3.33Å; K144-E148 WeakPolarHBondContact O-CG 2.96Å; K144-E148 PolarHBondContact O-N 3.01Å; Y146-E148 VanDerWaalsContact C-N 3.27Å; Y146-E148 PolarHBondContact O-N 2.92Å; E148-K151 WeakPolarHBondContact O-CB 3.36Å; E148-K151 PolarHBondContact O-N 3.41Å
149R88.5Confident88.6Confident61 Ų6191.4 Ų91.423%0.2344%0.441CS..Hα-helixtrans-65.5-38.6177.5-71.9169.6177.3-175.9-9.3113H113 Y114 K145 Y146 K151 N152 A153H113-R149 PolarHBondContact NE2-NE 3.49Å; H113-R149 PolarHBondContact NE2-NH2 2.68Å; H113-R149 PolarHBondContact O-NH1 2.85Å; H113-R149 VanDerWaalsContact O-NH1 3.13Å; Y114-R149 HydrophobicContact CD1-CB 3.93Å; Y114-R149 HydrophobicContact CE1-CB 4.19Å; K145-R149 WeakPolarHBondContact O-CG 3.25Å; K145-R149 PolarHBondContact O-N 3.38Å; Y146-R149 PolarHBondContact O-N 3.25Å; Y146-R149 VanDerWaalsContact O-N 3.11Å; R149-K151 PolarHBondContact O-N 3.04Å; R149-N152 PolarHBondContact O-N 2.84Å; R149-N152 VanDerWaalsContact O-N 3.09Å; R149-A153 PolarHBondContact O-N 3.23Å
150K85.5Confident88.3Confident74 Ų7493.3 Ų93.332%0.32244%0.443SS..Hα-helixtrans-58.9-29.3-179-78.3178178.9-1770112.7Y114 L116 Y146 N152 A153Y114-K150 VanDerWaalsContact O-CE 3.26Å; Y114-K150 WeakPolarHBondContact O-CE 3.45Å; L116-K150 HydrophobicContact CD1-CG 4.06Å; L116-K150 HydrophobicContact CD2-CD 4.17Å; L116-K150 HydrophobicContact CD2-CG 4.39Å; L116-K150 HydrophobicContact CG-CD 4.39Å; L116-K150 HydrophobicContact CG-CG 4.13Å; Y146-K150 VanDerWaalsContact O-CG 3.31Å; Y146-K150 WeakPolarHBondContact O-CG 3.49Å; Y146-K150 PolarHBondContact O-N 3.18Å; K150-N152 PolarHBondContact O-N 3.13Å; K150-A153 WeakPolarHBondContact O-CB 3.42Å; K150-A153 PolarHBondContact O-N 2.9Å
151K88.1Confident88Confident163 Ų16389.1 Ų89.171%0.70943%0.427SS*.THydrogen-bonded Turntrans-58.6-33176.7-63.2177.9-176.8179.40112.8E148 R149E148-K151 WeakPolarHBondContact O-CB 3.36Å; E148-K151 PolarHBondContact O-N 3.41Å; R149-K151 PolarHBondContact O-N 3.04Å
152N84.9Confident87.9Confident135 Ų13581.2 Ų81.272%0.72239%0.393SS*.THydrogen-bonded Turntrans-106.913.4-177.7-62.8-16000112.8R149 K150 K154R149-N152 PolarHBondContact O-N 2.84Å; R149-N152 VanDerWaalsContact O-N 3.09Å; K150-N152 PolarHBondContact O-N 3.13Å; N152-K154 PolarHBondContact O-N 3.28Å
153A83.9Confident87.8Confident17 Ų1778.3 Ų78.314%0.1438%0.377CS..  trans-82.113.9-174.100000114.2Y114 L116 R149 K150 I155Y114-A153 HydrophobicContact CD1-CB 3.54Å; Y114-A153 HydrophobicContact CE1-CB 4Å; Y114-A153 HydrophobicContact CG-CB 4.07Å; L116-A153 HydrophobicContact CD1-CB 3.73Å; R149-A153 PolarHBondContact O-N 3.23Å; K150-A153 WeakPolarHBondContact O-CB 3.42Å; K150-A153 PolarHBondContact O-N 2.9Å; A153-I155 PolarHBondContact O-N 2.87Å
154K84.6Confident87.8Confident200 Ų20080.1 Ų80.187%0.8739%0.386SS*.PPolyproline II helixtrans-78119.9-176.2-170.9175.2-178.5178.50110.2N152N152-K154 PolarHBondContact O-N 3.28Å
155I85.1Confident87.6Confident32 Ų3280.4 Ų80.416%0.16439%0.389CS..PPolyproline II helixtrans-100.9158.2176.8-63.5160.2000109.5W67 L118 A153 L159W67-I155 HydrophobicContact CH2-CD1 3.84Å; W67-I155 HydrophobicContact CH2-CG1 4.45Å; W67-I155 HydrophobicContact CZ2-CD1 4.25Å; W67-I155 HydrophobicContact CZ2-CG1 4.39Å; W67-I155 HydrophobicContact CZ2-CG2 4.48Å; L118-I155 HydrophobicContact CD1-CD1 3.64Å; L118-I155 HydrophobicContact CD2-CD1 3.82Å; L118-I155 HydrophobicContact CG-CD1 4.41Å; A153-I155 PolarHBondContact O-N 2.87Å; I155-L159 HydrophobicContact CG2-CB 3.62Å; I155-L159 HydrophobicContact CG2-CD1 4.04Å
156S87Confident87.5Confident54 Ų5476.5 Ų76.538%0.37838%0.38SS..PPolyproline II helixtrans-62.2141.9172.7177.90000111.5L158 L159 E160S156-L158 VanDerWaalsContact C-N 3.26Å; S156-L158 PolarHBondContact O-N 3.26Å; S156-L159 PolarHBondContact O-N 2.82Å; S156-L159 VanDerWaalsContact O-N 3.1Å; S156-E160 PolarHBondContact O-N 2.86Å
157S87.1Confident87.7Confident75 Ų7578.8 Ų78.852%0.52439%0.391SS..Hα-helixtrans-58-37.617955.20000112.9L159 E160 E161S157-L159 VanDerWaalsContact C-N 3.31Å; S157-L159 PolarHBondContact O-N 2.87Å; S157-E160 WeakPolarHBondContact O-CB 3.17Å; S157-E160 PolarHBondContact O-N 2.9Å; S157-E161 WeakPolarHBondContact O-CG 3.47Å; S157-E161 PolarHBondContact O-N 3.3Å
158L88.1Confident88Confident58 Ų5875.5 Ų75.530%0.30437%0.373SS..Hα-helixtrans-64.2-36178.3-64.7176000112.6S156 Q162 L192 L193S156-L158 VanDerWaalsContact C-N 3.26Å; S156-L158 PolarHBondContact O-N 3.26Å; L158-Q162 WeakPolarHBondContact O-CG 3.35Å; L158-Q162 PolarHBondContact O-N 3.45Å; L158-L192 HydrophobicContact CB-CD2 3.55Å; L158-L192 HydrophobicContact CD1-CD2 4.19Å; L158-L193 HydrophobicContact CD1-CD2 3.78Å; L158-L193 HydrophobicContact CD1-CG 4.39Å
159L87.1Confident88.2Confident4 Ų472.7 Ų72.72%0.02136%0.361CS..Hα-helixtrans-73.3-38175.1-78.2172.7000110.7I155 S156 S157 E161 Q162 F163 V186 E188 L192I155-L159 HydrophobicContact CG2-CB 3.62Å; I155-L159 HydrophobicContact CG2-CD1 4.04Å; S156-L159 PolarHBondContact O-N 2.82Å; S156-L159 VanDerWaalsContact O-N 3.1Å; S157-L159 VanDerWaalsContact C-N 3.31Å; S157-L159 PolarHBondContact O-N 2.87Å; L159-E161 VanDerWaalsContact C-N 3.3Å; L159-E161 PolarHBondContact O-N 2.95Å; L159-Q162 PolarHBondContact O-N 2.93Å; L159-Q162 VanDerWaalsContact O-N 3.14Å; L159-F163 HydrophobicContact CB-CD2 4.47Å; L159-F163 WeakPolarHBondContact O-CD2 3.24Å; L159-F163 PolarHBondContact O-N 2.68Å; L159-V186 HydrophobicContact CD2-CG1 4.27Å; L159-E188 HydrophobicContact CD1-CG 4.13Å; L159-E188 WeakPolarHBondContact CD1-OE1 3.44Å; L159-L192 HydrophobicContact CD2-CD2 4.22Å; L159-L192 HydrophobicContact CG-CD2 4.2Å
160E86.7Confident88.6Confident105 Ų10569.8 Ų69.849%0.49135%0.35SS..Hα-helixtrans-59-41.5176.5-167.6174.5-169.900111.9S156 S157 F163 Q164S156-E160 PolarHBondContact O-N 2.86Å; S157-E160 WeakPolarHBondContact O-CB 3.17Å; S157-E160 PolarHBondContact O-N 2.9Å; E160-F163 PolarHBondContact O-N 3.06Å; E160-Q164 WeakPolarHBondContact O-CB 3.33Å; E160-Q164 PolarHBondContact O-N 3.25Å
161E87.6Confident89.1Confident109 Ų10966.6 Ų66.651%0.50934%0.337SS..Hα-helixtrans-61-42.7173.4-71.6173.5-16500112.4S157 L159 Q164 Q165S157-E161 WeakPolarHBondContact O-CG 3.47Å; S157-E161 PolarHBondContact O-N 3.3Å; L159-E161 VanDerWaalsContact C-N 3.3Å; L159-E161 PolarHBondContact O-N 2.95Å; E161-Q164 WeakPolarHBondContact O-CB 3.41Å; E161-Q164 PolarHBondContact O-N 3.15Å; E161-Q165 WeakPolarHBondContact O-CG 2.98Å; E161-Q165 PolarHBondContact O-N 3.1Å
162Q90.3Very high89.5Confident22 Ų2258.9 Ų58.910%0.10330%0.303CS..Hα-helixtrans-67.3-40.3177.1-71.7-175.113.500112.4L158 L159 Q164 Q165 G166 K167 L168 L169 L192L158-Q162 WeakPolarHBondContact O-CG 3.35Å; L158-Q162 PolarHBondContact O-N 3.45Å; L159-Q162 PolarHBondContact O-N 2.93Å; L159-Q162 VanDerWaalsContact O-N 3.14Å; Q162-Q164 VanDerWaalsContact C-N 3.26Å; Q162-Q164 PolarHBondContact O-N 3.3Å; Q162-Q165 PolarHBondContact O-N 2.91Å; Q162-G166 PolarHBondContact O-N 3.46Å; Q162-G166 VanDerWaalsContact O-N 3.1Å; Q162-K167 CarbonylContact C-O 3.54Å; Q162-K167 WeakPolarHBondContact CB-O 3.41Å; Q162-K167 PolarHBondContact O-N 3.36Å; Q162-K167 VanDerWaalsContact O-O 3.05Å; Q162-L168 HydrophobicContact CB-CD2 3.77Å; Q162-L169 VanDerWaalsContact OE1-N 3.08Å; Q162-L192 VanDerWaalsContact NE2-CD1 3.33Å
163F89.1Confident90.1Very high15 Ų1554.7 Ų54.77%0.06629%0.287CS..Hα-helixtrans-61.4-37.7172.2-83.5-70.3000111.4W67 L118 L159 E160 Q165 G166 L168W67-F163 HydrophobicContact CE3-CZ 4.28Å; W67-F163 AromaticContact CH2-CE2 3.73Å; W67-F163 HydrophobicContact CH2-CE2 3.73Å; W67-F163 AromaticContact CH2-CZ 3.69Å; W67-F163 HydrophobicContact CH2-CZ 3.69Å; W67-F163 HydrophobicContact CZ2-CE2 4.07Å; W67-F163 HydrophobicContact CZ2-CZ 4.31Å; W67-F163 HydrophobicContact CZ3-CE2 4.2Å; W67-F163 AromaticContact CZ3-CZ 3.67Å; W67-F163 HydrophobicContact CZ3-CZ 3.67Å; L118-F163 HydrophobicContact CD2-CB 4.42Å; L118-F163 HydrophobicContact CD2-CD1 3.85Å; L118-F163 HydrophobicContact CD2-CD2 3.68Å; L118-F163 HydrophobicContact CD2-CE1 3.97Å; L118-F163 HydrophobicContact CD2-CE2 3.82Å; L118-F163 HydrophobicContact CD2-CG 3.72Å; L118-F163 HydrophobicContact CD2-CZ 3.96Å; L118-F163 HydrophobicContact CG-CB 4.18Å; L118-F163 HydrophobicContact CG-CD1 4.41Å; L118-F163 HydrophobicContact CG-CD2 4.22Å; L118-F163 HydrophobicContact CG-CG 4.03Å; L159-F163 HydrophobicContact CB-CD2 4.47Å; L159-F163 WeakPolarHBondContact O-CD2 3.24Å; L159-F163 PolarHBondContact O-N 2.68Å; E160-F163 PolarHBondContact O-N 3.06Å; F163-Q165 VanDerWaalsContact C-N 3.32Å; F163-Q165 PolarHBondContact O-N 2.91Å; F163-G166 PolarHBondContact O-N 2.95Å; F163-G166 VanDerWaalsContact O-N 3.08Å; F163-L168 HydrophobicContact CD1-CD2 4.23Å; F163-L168 HydrophobicContact CD2-CD2 4.02Å; F163-L168 HydrophobicContact CE1-CD1 3.96Å; F163-L168 HydrophobicContact CE1-CD2 4.14Å; F163-L168 HydrophobicContact CE1-CG 4.45Å; F163-L168 HydrophobicContact CE2-CD2 3.91Å; F163-L168 HydrophobicContact CG-CD2 4.16Å; F163-L168 HydrophobicContact CZ-CD1 3.82Å; F163-L168 HydrophobicContact CZ-CD2 3.97Å; F163-L168 HydrophobicContact CZ-CG 4.47Å
164Q87.9Confident90.8Very high104 Ų10454.8 Ų54.849%0.48629%0.287SS..Hα-helixtrans-65.7-33.5175-169.6179.5-4.800113.2G119 E160 E161 Q162 G166G119-Q164 WeakPolarHBondContact O-CA 3.19Å; E160-Q164 WeakPolarHBondContact O-CB 3.33Å; E160-Q164 PolarHBondContact O-N 3.25Å; E161-Q164 WeakPolarHBondContact O-CB 3.41Å; E161-Q164 PolarHBondContact O-N 3.15Å; Q162-Q164 VanDerWaalsContact C-N 3.26Å; Q162-Q164 PolarHBondContact O-N 3.3Å; Q164-G166 PolarHBondContact O-N 3.36Å
165Q88.9Confident91.4Very high141 Ų14153 Ų5366%0.65928%0.275SS*.Hα-helixtrans-75.9-12.4172.9-67.5176.65.400113.3E161 Q162 F163 K167E161-Q165 WeakPolarHBondContact O-CG 2.98Å; E161-Q165 PolarHBondContact O-N 3.1Å; Q162-Q165 PolarHBondContact O-N 2.91Å; F163-Q165 VanDerWaalsContact C-N 3.32Å; F163-Q165 PolarHBondContact O-N 2.91Å; Q165-K167 VanDerWaalsContact C-N 3.28Å; Q165-K167 PolarHBondContact O-N 3.24Å
166G88.9Confident92Very high27 Ų2751.5 Ų51.528%0.27827%0.268SS..THydrogen-bonded Turntrans76.312.2-176.900000114.1S106 Q162 F163 Q164S106-G166 PolarHBondContact N-O 2.74Å; S106-G166 VanDerWaalsContact OG-CA 3.24Å; S106-G166 WeakPolarHBondContact OG-CA 3.44Å; S106-G166 PolarHBondContact OG-O 3.18Å; Q162-G166 PolarHBondContact O-N 3.46Å; Q162-G166 VanDerWaalsContact O-N 3.1Å; F163-G166 PolarHBondContact O-N 2.95Å; F163-G166 VanDerWaalsContact O-N 3.08Å; Q164-G166 PolarHBondContact O-N 3.36Å
167K93.3Very high92.5Very high88 Ų8849.6 Ų49.638%0.38326%0.256SS..EExtended strand (participates in β ladder)trans-141.2130.5-174.9-55.4178.8-171.5169.10110.3I79 L103 I104 Q162 Q165I79-K167 HydrophobicContact CD1-CB 4.43Å; I79-K167 HydrophobicContact CD1-CD 4.01Å; I79-K167 HydrophobicContact CD1-CG 3.76Å; L103-K167 HydrophobicContact CD2-CB 4.1Å; I104-K167 CarbonylContact O-C 3.54Å; I104-K167 VanDerWaalsContact O-CA 3.27Å; I104-K167 WeakPolarHBondContact O-CA 3.33Å; Q162-K167 CarbonylContact C-O 3.54Å; Q162-K167 WeakPolarHBondContact CB-O 3.41Å; Q162-K167 PolarHBondContact O-N 3.36Å; Q162-K167 VanDerWaalsContact O-O 3.05Å; Q165-K167 VanDerWaalsContact C-N 3.28Å; Q165-K167 PolarHBondContact O-N 3.24Å
168L93.7Very high92.9Very high1 Ų149 Ų491%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-105.5147.3177.3-59.6173.9000110.7L103 I104 Y109 Q162 F163 V186L103-L168 WeakPolarHBondContact CA-O 3.14Å; I104-L168 HydrophobicContact CD1-CB 4.38Å; I104-L168 HydrophobicContact CG1-CB 3.88Å; I104-L168 WeakPolarHBondContact CG1-O 3.34Å; I104-L168 PolarHBondContact N-O 3.01Å; I104-L168 PolarHBondContact O-N 3.25Å; Y109-L168 HydrophobicContact CD2-CD1 3.6Å; Y109-L168 HydrophobicContact CE2-CD1 3.95Å; Y109-L168 HydrophobicContact CG-CD1 4.29Å; Q162-L168 HydrophobicContact CB-CD2 3.77Å; F163-L168 HydrophobicContact CD1-CD2 4.23Å; F163-L168 HydrophobicContact CD2-CD2 4.02Å; F163-L168 HydrophobicContact CE1-CD1 3.96Å; F163-L168 HydrophobicContact CE1-CD2 4.14Å; F163-L168 HydrophobicContact CE1-CG 4.45Å; F163-L168 HydrophobicContact CE2-CD2 3.91Å; F163-L168 HydrophobicContact CG-CD2 4.16Å; F163-L168 HydrophobicContact CZ-CD1 3.82Å; F163-L168 HydrophobicContact CZ-CD2 3.97Å; F163-L168 HydrophobicContact CZ-CG 4.47Å; L168-V186 HydrophobicContact CB-CG1 4.24Å; L168-V186 HydrophobicContact CD1-CG1 4.24Å; L168-V186 HydrophobicContact CD1-CG2 4.26Å
169L95.9Very high93.3Very high42 Ų4248.7 Ų48.722%0.2225%0.247CC..EExtended strand (participates in β ladder)trans-82.2131.1167.5-70.6172.5000110.1V82 I101 L103 Q162 L187 L192V82-L169 HydrophobicContact CG2-CD2 4.18Å; I101-L169 HydrophobicContact CG2-CD2 4.04Å; L103-L169 HydrophobicContact CD2-CD2 3.59Å; L103-L169 HydrophobicContact CD2-CG 4.19Å; L103-L169 HydrophobicContact CG-CD2 4.12Å; Q162-L169 VanDerWaalsContact OE1-N 3.08Å; L169-L187 HydrophobicContact CB-CD1 4.18Å; L169-L187 PolarHBondContact O-N 2.83Å; L169-L192 HydrophobicContact CB-CD1 4.31Å; L169-L192 HydrophobicContact CD1-CD1 4.34Å
170A96.5Very high93.8Very high0 Ų048.8 Ų48.80%025%0.249CC..EExtended strand (participates in β ladder)trans-138.4151.3-18000000112F65 I101 V102 I104 Y185F65-A170 HydrophobicContact CD1-CB 3.62Å; F65-A170 HydrophobicContact CE1-CB 3.79Å; I101-A170 CarbonylContact C-O 3.55Å; I101-A170 WeakPolarHBondContact CA-O 3.34Å; V102-A170 HydrophobicContact CG2-CB 4.26Å; V102-A170 WeakPolarHBondContact CG2-O 3.44Å; V102-A170 PolarHBondContact N-O 3.23Å; V102-A170 PolarHBondContact O-N 3.1Å; I104-A170 HydrophobicContact CD1-CB 3.75Å; I104-A170 HydrophobicContact CG1-CB 4.02Å; I104-A170 HydrophobicContact CG2-CB 4Å; A170-Y185 CarbonylContact C-O 3.59Å; A170-Y185 VanDerWaalsContact CA-O 3.25Å; A170-Y185 WeakPolarHBondContact CA-O 3.2Å; A170-Y185 WeakPolarHBondContact CB-O 3.45Å
171C97Very high94.3Very high7 Ų751.5 Ų51.55%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-104.3129.9176-178.70000110.4I101 A173 G184 Y185 L187I101-C171 HydrophobicContact CD1-CB 3.76Å; C171-A173 PolarHBondContact O-N 2.93Å; C171-G184 CarbonylContact O-C 3.51Å; C171-G184 WeakPolarHBondContact O-CA 3.35Å; C171-Y185 HydrophobicContact CB-CE1 3.99Å; C171-Y185 HydrophobicContact CB-CE2 4.27Å; C171-Y185 PolarHBondContact N-O 3.14Å; C171-Y185 PolarHBondContact O-N 3.47Å; C171-L187 HydrophobicContact CB-CD2 3.81Å
172I97Very high94.8Very high0 Ų046.3 Ų46.30%023%0.231CC..EExtended strand (participates in β ladder)trans-77.3113.3174.5-63.3179.3000109.8F65 L96 N99 C100 V102 P176 A182F65-I172 HydrophobicContact CE1-CG1 4.3Å; F65-I172 HydrophobicContact CZ-CG1 4.36Å; L96-I172 HydrophobicContact CB-CD1 4.25Å; L96-I172 HydrophobicContact CD2-CD1 3.92Å; N99-I172 WeakPolarHBondContact CA-O 3.3Å; N99-I172 PolarHBondContact N-O 2.98Å; C100-I172 PolarHBondContact O-N 2.83Å; V102-I172 HydrophobicContact CG1-CD1 3.8Å; V102-I172 HydrophobicContact CG1-CG1 4.23Å; V102-I172 HydrophobicContact CG2-CD1 4.34Å; V102-I172 HydrophobicContact CG2-CG1 4.01Å; I172-P176 HydrophobicContact CG2-CG 4.5Å; I172-A182 HydrophobicContact CD1-CB 4.46Å
173A97.1Very high95.1Very high47 Ų4747.5 Ų47.539%0.38824%0.238SC..  trans-87.6-23177.500000113.2K98 C171 D183 Y185K98-A173 WeakPolarHBondContact CD-O 3.42Å; K98-A173 VanDerWaalsContact CE-O 3.24Å; K98-A173 WeakPolarHBondContact CE-O 3.33Å; C171-A173 PolarHBondContact O-N 2.93Å; A173-D183 PolarHBondContact N-O 2.77Å; A173-Y185 HydrophobicContact CB-CD1 4.31Å; A173-Y185 HydrophobicContact CB-CE1 4.46Å
174S97.4Very high95.5Very high19 Ų1947.3 Ų47.313%0.13324%0.24CC..SBendtrans-82.3171.9-178.264.50000113.3K98 P176 R181 A182 D183K98-S174 WeakPolarHBondContact CA-O 3.43Å; K98-S174 VanDerWaalsContact CB-O 3.29Å; K98-S174 WeakPolarHBondContact CB-O 3.43Å; S174-P176 WeakPolarHBondContact O-CD 3.25Å; S174-R181 PolarHBondContact OG-O 2.83Å; S174-R181 VanDerWaalsContact OG-O 3.1Å; S174-A182 WeakPolarHBondContact OG-CA 3.33Å; S174-D183 WeakPolarHBondContact CB-O 3.18Å; S174-D183 PolarHBondContact N-O 3.07Å; S174-D183 PolarHBondContact OG-N 2.96Å; S174-D183 PolarHBondContact OG-O 3.05Å
175R97.9Very high96Very high162 Ų16246.5 Ų46.561%0.61123%0.233SC*.  trans-115.488.9176.4-73.5178.5173.6170.2-0.5110.2K98 G177 Q178 C179K98-R175 HydrophobicContact CB-CG 3.94Å; K98-R175 HydrophobicContact CD-CG 4.04Å; K98-R175 HydrophobicContact CG-CG 4.47Å; R175-G177 PolarHBondContact O-N 3.04Å; R175-G177 VanDerWaalsContact O-N 3.08Å; R175-Q178 HydrophobicContact CB-CB 4.27Å; R175-Q178 HydrophobicContact CB-CG 4.38Å; R175-Q178 PolarHBondContact O-N 2.92Å; R175-C179 VanDerWaalsContact C-SG 3.53Å; R175-C179 PolarHBondContact O-N 3.32Å; R175-C179 PolarHBondContact O-SG 2.98Å
176P97.5Very high96.3Very high2 Ų240 Ų401%0.01320%0.203CC..Hα-helixtrans-53.2-37.6-173.6-2731.8000114.4T36 A57 L60 L96 I172 S174 Q178 G180 R181 A182T36-P176 HydrophobicContact CG2-CB 4.14Å; A57-P176 HydrophobicContact CB-CB 4.27Å; A57-P176 WeakPolarHBondContact CB-O 3.4Å; A57-P176 PolarHBondContact N-O 3.31Å; L60-P176 HydrophobicContact CD1-CB 4.17Å; L96-P176 HydrophobicContact CB-CG 4.32Å; I172-P176 HydrophobicContact CG2-CG 4.5Å; S174-P176 WeakPolarHBondContact O-CD 3.25Å; P176-Q178 PolarHBondContact O-N 3.02Å; P176-G180 VanDerWaalsContact O-CA 3.27Å; P176-G180 WeakPolarHBondContact O-CA 3.04Å; P176-G180 PolarHBondContact O-N 3.36Å; P176-R181 WeakPolarHBondContact CA-O 3.13Å; P176-R181 WeakPolarHBondContact CG-O 3.17Å; P176-A182 HydrophobicContact CG-CB 4.26Å
177G96.7Very high96.5Very high14 Ų1439.3 Ų39.314%0.14419%0.193CC..Hα-helixtrans-74.23.5177.400000115.6R56 R175R56-G177 WeakPolarHBondContact CD-O 3.42Å; R56-G177 VanDerWaalsContact CZ-O 3.3Å; R56-G177 PolarHBondContact NE-O 3.2Å; R56-G177 PolarHBondContact NH1-O 3.25Å; R175-G177 PolarHBondContact O-N 3.04Å; R175-G177 VanDerWaalsContact O-N 3.08Å
178Q96.4Very high96.4Very high63 Ų6337.3 Ų37.329%0.29419%0.185SC..Hα-helixtrans-126-44.1176.3-63.1-64.6-71.300112K54 Y55 R56 R175 P176K54-Q178 VanDerWaalsContact CD-OE1 3.27Å; Y55-Q178 PolarHBondContact N-O 3.2Å; Y55-Q178 CarbonylContact O-C 3.58Å; Y55-Q178 VanDerWaalsContact O-O 3.14Å; R56-Q178 VanDerWaalsContact CZ-NE2 3.34Å; R175-Q178 HydrophobicContact CB-CB 4.27Å; R175-Q178 HydrophobicContact CB-CG 4.38Å; R175-Q178 PolarHBondContact O-N 2.92Å; P176-Q178 PolarHBondContact O-N 3.02Å
179C97.2Very high96.1Very high51 Ų5139.4 Ų39.435%0.34521%0.207SC..Hα-helixtrans-99-12.9-178.561.40000113.9R175 R181R175-C179 VanDerWaalsContact C-SG 3.53Å; R175-C179 PolarHBondContact O-N 3.32Å; R175-C179 PolarHBondContact O-SG 2.98Å; C179-R181 VanDerWaalsContact C-N 3.27Å; C179-R181 PolarHBondContact O-N 3Å
180G97.1Very high95.6Very high5 Ų545.6 Ų45.65%0.05223%0.232CC..SBendtrans74.113.8-178.900000114.6I43 Y55 P176I43-G180 WeakPolarHBondContact CD1-O 3.29Å; Y55-G180 PolarHBondContact O-N 3.33Å; Y55-G180 VanDerWaalsContact O-N 3.14Å; P176-G180 VanDerWaalsContact O-CA 3.27Å; P176-G180 WeakPolarHBondContact O-CA 3.04Å; P176-G180 PolarHBondContact O-N 3.36Å
181R97.4Very high94.9Very high162 Ų16251.1 Ų51.161%0.61126%0.258SS*.  trans-126153.4-178.7-57.1-176.7-174.3174.1-1.1111.1S174 P176 C179 D183S174-R181 PolarHBondContact OG-O 2.83Å; S174-R181 VanDerWaalsContact OG-O 3.1Å; P176-R181 WeakPolarHBondContact CA-O 3.13Å; P176-R181 WeakPolarHBondContact CG-O 3.17Å; C179-R181 VanDerWaalsContact C-N 3.27Å; C179-R181 PolarHBondContact O-N 3Å; R181-D183 WeakPolarHBondContact CB-OD2 3.42Å; R181-D183 WeakPolarHBondContact CD-OD2 3.46Å
182A97.3Very high94.1Very high1 Ų151.8 Ų51.81%0.00826%0.261CS..  trans-121.256176.800000110L60 G63 F65 I78 L96 I172 S174 P176L60-A182 HydrophobicContact CD1-CB 3.84Å; G63-A182 WeakPolarHBondContact CA-O 3.32Å; F65-A182 WeakPolarHBondContact CZ-O 3.33Å; I78-A182 HydrophobicContact CD1-CB 3.59Å; L96-A182 HydrophobicContact CD1-CB 4.45Å; I172-A182 HydrophobicContact CD1-CB 4.46Å; S174-A182 WeakPolarHBondContact OG-CA 3.33Å; P176-A182 HydrophobicContact CG-CB 4.26Å
183D97.7Very high92.8Very high47 Ų4755 Ų5525%0.25128%0.278SS..  trans-82.4150.7178.4-50.7-35.7000111.1N64 A173 S174 R181N64-D183 HydrophobicContact CB-CB 4.47Å; N64-D183 WeakPolarHBondContact CB-OD1 3.44Å; N64-D183 PolarHBondContact N-OD1 2.85Å; N64-D183 VanDerWaalsContact N-OD1 3.1Å; N64-D183 CarbonylContact O-C 3.58Å; N64-D183 WeakPolarHBondContact O-CA 3.39Å; N64-D183 WeakPolarHBondContact O-CB 3.5Å; A173-D183 PolarHBondContact N-O 2.77Å; S174-D183 WeakPolarHBondContact CB-O 3.18Å; S174-D183 PolarHBondContact N-O 3.07Å; S174-D183 PolarHBondContact OG-N 2.96Å; S174-D183 PolarHBondContact OG-O 3.05Å; R181-D183 WeakPolarHBondContact CB-OD2 3.42Å; R181-D183 WeakPolarHBondContact CD-OD2 3.46Å
184G97.2Very high90.6Very high11 Ų1156.7 Ų56.711%0.11329%0.285CS..EExtended strand (participates in β ladder)trans-168.2-163.3-172.100000114.3N64 F65 S66 C171N64-G184 PolarHBondContact O-N 3.21Å; F65-G184 WeakPolarHBondContact CA-O 3.24Å; S66-G184 PolarHBondContact N-O 3.21Å; C171-G184 CarbonylContact O-C 3.51Å; C171-G184 WeakPolarHBondContact O-CA 3.35Å
185Y96.9Very high88.3Confident87 Ų8762.8 Ų62.834%0.34131%0.311SS..EExtended strand (participates in β ladder)trans-142152.6177.963.8-86.8000111S66 A170 C171 A173 L187 E191S66-Y185 CarbonylContact O-C 3.14Å; S66-Y185 WeakPolarHBondContact O-CA 3.4Å; S66-Y185 WeakPolarHBondContact O-CB 3.35Å; A170-Y185 CarbonylContact C-O 3.59Å; A170-Y185 VanDerWaalsContact CA-O 3.25Å; A170-Y185 WeakPolarHBondContact CA-O 3.2Å; A170-Y185 WeakPolarHBondContact CB-O 3.45Å; C171-Y185 HydrophobicContact CB-CE1 3.99Å; C171-Y185 HydrophobicContact CB-CE2 4.27Å; C171-Y185 PolarHBondContact N-O 3.14Å; C171-Y185 PolarHBondContact O-N 3.47Å; A173-Y185 HydrophobicContact CB-CD1 4.31Å; A173-Y185 HydrophobicContact CB-CE1 4.46Å; Y185-L187 HydrophobicContact CE2-CD2 4.08Å; Y185-E191 WeakPolarHBondContact CE2-OE2 3.27Å; Y185-E191 PolarHBondContact OH-OE2 3.22Å
186V95.6Very high85.8Confident4 Ų461.1 Ų61.12%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-73.4136.7177.2-177.40000109S66 W67 I104 Y109 L159 L168S66-V186 PolarHBondContact O-N 3.32Å; W67-V186 HydrophobicContact CB-CG2 4.42Å; I104-V186 HydrophobicContact CD1-CG2 4.05Å; Y109-V186 HydrophobicContact CE2-CG2 4.33Å; L159-V186 HydrophobicContact CD2-CG1 4.27Å; L168-V186 HydrophobicContact CB-CG1 4.24Å; L168-V186 HydrophobicContact CD1-CG1 4.24Å; L168-V186 HydrophobicContact CD1-CG2 4.26Å
187L94.1Very high83.2Confident13 Ų1364.7 Ų64.77%0.06833%0.329CS..  trans-75134.6178.2-66.7-176.6000110.5I101 L169 C171 Y185 E191 L192I101-L187 HydrophobicContact CD1-CD1 3.96Å; I101-L187 HydrophobicContact CD1-CD2 4.42Å; I101-L187 HydrophobicContact CG2-CD1 3.98Å; L169-L187 HydrophobicContact CB-CD1 4.18Å; L169-L187 PolarHBondContact O-N 2.83Å; C171-L187 HydrophobicContact CB-CD2 3.81Å; Y185-L187 HydrophobicContact CE2-CD2 4.08Å; L187-E191 HydrophobicContact CD2-CB 4.25Å; L187-L192 HydrophobicContact CB-CD1 3.65Å; L187-L192 WeakPolarHBondContact O-CD1 3.29Å
188E90.6Very high80.7Confident45 Ų4569.2 Ų69.221%0.2135%0.347CS..  trans-140161-178.8-54-165.997.800112W67 S69 L159 K190 E191W67-E188 VanDerWaalsContact CD1-CD 3.5Å; W67-E188 VanDerWaalsContact CD1-OE1 3.26Å; W67-E188 PolarHBondContact NE1-OE1 2.91Å; S69-E188 WeakPolarHBondContact CB-OE1 3.5Å; S69-E188 WeakPolarHBondContact CB-OE2 3.41Å; S69-E188 PolarHBondContact N-OE2 3.42Å; S69-E188 PolarHBondContact OG-OE1 3.22Å; S69-E188 VanDerWaalsContact OG-OE1 3.06Å; L159-E188 HydrophobicContact CD1-CG 4.13Å; L159-E188 WeakPolarHBondContact CD1-OE1 3.44Å; E188-K190 PolarHBondContact O-N 3.06Å; E188-E191 PolarHBondContact O-N 3.1Å; E188-E191 VanDerWaalsContact O-N 3.15Å
189G87.9Confident78Confident45 Ų4567.9 Ų67.946%0.46434%0.344SS..G310 helixtrans56.5-126.6171.800000113.1E191 L192G189-E191 VanDerWaalsContact C-N 3.28Å; G189-E191 PolarHBondContact O-N 2.86Å; G189-L192 PolarHBondContact O-N 3.23Å
190K85.2Confident75.9Confident172 Ų17269.8 Ų69.875%0.74836%0.356SS*.G310 helixtrans-66.8-26.8-178.1-67.2-175-179.8-178.50113.7E188 L192 L193E188-K190 PolarHBondContact O-N 3.06Å; K190-L192 VanDerWaalsContact C-N 3.26Å; K190-L193 PolarHBondContact O-N 3.44Å
191E82.6Confident73.7Confident117 Ų11776.5 Ų76.555%0.54739%0.386SS..G310 helixtrans-75.5-19.9178.8-60.5-169.9174.900112.3Y185 L187 E188 G189Y185-E191 WeakPolarHBondContact CE2-OE2 3.27Å; Y185-E191 PolarHBondContact OH-OE2 3.22Å; L187-E191 HydrophobicContact CD2-CB 4.25Å; E188-E191 PolarHBondContact O-N 3.1Å; E188-E191 VanDerWaalsContact O-N 3.15Å; G189-E191 VanDerWaalsContact C-N 3.28Å; G189-E191 PolarHBondContact O-N 2.86Å
192L79.1Confident71.6Confident20 Ų2074.7 Ų74.711%0.10538%0.379CS..THydrogen-bonded Turntrans-85-23.2176.3-161.668.1000112.5L158 L159 Q162 L169 L187 G189 K190L158-L192 HydrophobicContact CB-CD2 3.55Å; L158-L192 HydrophobicContact CD1-CD2 4.19Å; L159-L192 HydrophobicContact CD2-CD2 4.22Å; L159-L192 HydrophobicContact CG-CD2 4.2Å; Q162-L192 VanDerWaalsContact NE2-CD1 3.33Å; L169-L192 HydrophobicContact CB-CD1 4.31Å; L169-L192 HydrophobicContact CD1-CD1 4.34Å; L187-L192 HydrophobicContact CB-CD1 3.65Å; L187-L192 WeakPolarHBondContact O-CD1 3.29Å; G189-L192 PolarHBondContact O-N 3.23Å; K190-L192 VanDerWaalsContact C-N 3.26Å
193L69.5Low69.5Low68 Ų6880.1 Ų80.136%0.35640%0.404SS..SBendtrans-71.6137-178.4-74167.5000110.4L158 K190L158-L193 HydrophobicContact CD1-CD2 3.78Å; L158-L193 HydrophobicContact CD1-CG 4.39Å; K190-L193 PolarHBondContact O-N 3.44Å
194P52.3Low67.7Low83 Ų8382.3 Ų82.354%0.53942%0.415SS..  trans-57.7142.6173.1-19.230.7000111.2E196 D197P194-E196 PolarHBondContact O-N 3.06Å; P194-D197 PolarHBondContact O-N 2.71Å
195E47.8Very low65.9Low147 Ų14786.5 Ų86.569%0.68744%0.435SS*.G310 helixtrans-53.1-21.9177.7-82.9179.1158.100113.8D197 Q198E195-D197 PolarHBondContact O-N 2.89Å; E195-Q198 PolarHBondContact O-N 2.97Å
196E45.1Very low63.9Low127 Ų12786.1 Ų86.159%0.59345%0.445SS*.G310 helixtrans-58.4-30.5175.3-71-166.1-177.300113.9P194 Q198 S199 R202P194-E196 PolarHBondContact O-N 3.06Å; E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 3.36Å; E196-S199 PolarHBondContact O-OG 2.97Å; E196-R202 IonicContact OE2-CZ 2.82Å; E196-R202 IonicContact OE2-NH1 3.35Å; E196-R202 PolarHBondContact OE2-NH1 2.95Å; E196-R202 IonicContact OE2-NH2 3.98Å; E196-R202 PolarHBondContact OE2-NH2 2.8Å
197D43.9Very low62.6Low77 Ų7792.8 Ų92.841%0.41247%0.474SS..G310 helixtrans-81.9-6.8177.8-76.7-17.7000113.3P194 E195 R202P194-D197 PolarHBondContact O-N 2.71Å; E195-D197 PolarHBondContact O-N 2.89Å; D197-R202 IonicContact OD1-NH1 2.71Å
198Q43Very low61.3Low109 Ų10995.7 Ų95.751%0.50949%0.489SS..G310 helixtrans-95.6-4.6175.6-60.2-174.35.700112.9E195 E196E195-Q198 PolarHBondContact O-N 2.97Å; E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 3.36Å
199S40.7Very low60.2Low35 Ų3596.1 Ų96.125%0.24550%0.5CS..SBendtrans-59.9129.517263.30000110.3E196 E201 R202 Q203E196-S199 PolarHBondContact O-OG 2.97Å; S199-E201 PolarHBondContact O-N 2.79Å; S199-E201 VanDerWaalsContact O-N 3.09Å; S199-R202 PolarHBondContact O-N 2.94Å; S199-Q203 PolarHBondContact O-N 3.25Å
200P52.9Low59.6Low91 Ų9199.3 Ų99.359%0.59150%0.502SS*.Hα-helixtrans-55.1-31.6178.4-15.820.4000112.1Q203 I204P200-Q203 PolarHBondContact O-N 2.84Å; P200-I204 WeakPolarHBondContact O-CB 3.4Å; P200-I204 WeakPolarHBondContact O-CD1 3.4Å; P200-I204 WeakPolarHBondContact O-CG1 3.49Å; P200-I204 PolarHBondContact O-N 3.1Å
201E51.3Low59Low146 Ų14694 Ų9468%0.68248%0.484SS*.Hα-helixtrans-62.4-43.1-178.1-64.1179.6174.600113S199 N205S199-E201 PolarHBondContact O-N 2.79Å; S199-E201 VanDerWaalsContact O-N 3.09Å; E201-N205 WeakPolarHBondContact O-CB 3.43Å; E201-N205 PolarHBondContact O-N 3.14Å; E201-N205 PolarHBondContact O-ND2 2.84Å; E201-N205 VanDerWaalsContact O-ND2 3.09Å
202R53.8Low58.6Low123 Ų12395.4 Ų95.446%0.46449%0.488SS..Hα-helixtrans-74.1-33.7176.9-76.3-172.1-177.2165.49.3112.4E196 D197 S199 N205 S206E196-R202 IonicContact OE2-CZ 2.82Å; E196-R202 IonicContact OE2-NH1 3.35Å; E196-R202 PolarHBondContact OE2-NH1 2.95Å; E196-R202 IonicContact OE2-NH2 3.98Å; E196-R202 PolarHBondContact OE2-NH2 2.8Å; D197-R202 IonicContact OD1-NH1 2.71Å; S199-R202 PolarHBondContact O-N 2.94Å; R202-N205 PolarHBondContact O-N 3.05Å; R202-S206 WeakPolarHBondContact O-CB 3.24Å; R202-S206 PolarHBondContact O-N 3.18Å
203Q52.7Low58.3Low115 Ų115102.3 Ų102.354%0.53752%0.518SS..Hα-helixtrans-63.8-44174-72.2-175.92.900111.8S199 P200 S206 F207S199-Q203 PolarHBondContact O-N 3.25Å; P200-Q203 PolarHBondContact O-N 2.84Å; Q203-S206 PolarHBondContact O-N 3.02Å; Q203-S206 PolarHBondContact O-OG 2.85Å; Q203-S206 VanDerWaalsContact O-OG 3.12Å; Q203-F207 WeakPolarHBondContact O-CB 3.49Å; Q203-F207 PolarHBondContact O-N 3.08Å
204I59.5Low58.4Low94 Ų94105.8 Ų105.848%0.48253%0.53SS..Hα-helixtrans-61.3-46.3174-69.4164.6000110.5P200 S206 F207 I208P200-I204 WeakPolarHBondContact O-CB 3.4Å; P200-I204 WeakPolarHBondContact O-CD1 3.4Å; P200-I204 WeakPolarHBondContact O-CG1 3.49Å; P200-I204 PolarHBondContact O-N 3.1Å; I204-S206 VanDerWaalsContact C-N 3.35Å; I204-S206 PolarHBondContact O-N 2.92Å; I204-F207 PolarHBondContact O-N 3.02Å; I204-I208 HydrophobicContact CG2-CD1 3.61Å; I204-I208 HydrophobicContact CG2-CG1 4.27Å; I204-I208 WeakPolarHBondContact O-CB 3.33Å; I204-I208 VanDerWaalsContact O-CG1 3.26Å; I204-I208 WeakPolarHBondContact O-CG1 3.5Å; I204-I208 PolarHBondContact O-N 2.76Å
205N58.8Low59.1Low99 Ų99108.6 Ų108.653%0.52953%0.534SS..Hα-helixtrans-63.9-37.4178.3-75-30.7000112.8E201 R202 A209E201-N205 WeakPolarHBondContact O-CB 3.43Å; E201-N205 PolarHBondContact O-N 3.14Å; E201-N205 PolarHBondContact O-ND2 2.84Å; E201-N205 VanDerWaalsContact O-ND2 3.09Å; R202-N205 PolarHBondContact O-N 3.05Å; N205-A209 VanDerWaalsContact O-CB 3.29Å; N205-A209 WeakPolarHBondContact O-CB 3.07Å; N205-A209 PolarHBondContact O-N 3.07Å
206S55.7Low60Low79 Ų79107.7 Ų107.755%0.55253%0.528SS*.Hα-helixtrans-66.8-38.9174.296.70000112.1R202 Q203 I204 A209 H210R202-S206 WeakPolarHBondContact O-CB 3.24Å; R202-S206 PolarHBondContact O-N 3.18Å; Q203-S206 PolarHBondContact O-N 3.02Å; Q203-S206 PolarHBondContact O-OG 2.85Å; Q203-S206 VanDerWaalsContact O-OG 3.12Å; I204-S206 VanDerWaalsContact C-N 3.35Å; I204-S206 PolarHBondContact O-N 2.92Å; S206-A209 PolarHBondContact O-N 3.37Å; S206-H210 WeakPolarHBondContact O-CB 3.14Å; S206-H210 PolarHBondContact O-N 2.86Å
207F67.4Low61Low144 Ų144109.4 Ų109.463%0.63253%0.533SS*.Hα-helixtrans-67.3-45.7176.8-175.2-101.1000111.3Q203 I204 A209 H210 V211Q203-F207 WeakPolarHBondContact O-CB 3.49Å; Q203-F207 PolarHBondContact O-N 3.08Å; I204-F207 PolarHBondContact O-N 3.02Å; F207-A209 VanDerWaalsContact C-N 3.32Å; F207-A209 PolarHBondContact O-N 3.46Å; F207-H210 WeakPolarHBondContact O-CB 3.27Å; F207-H210 PolarHBondContact O-N 3.42Å; F207-H210 VanDerWaalsContact O-N 3.16Å; F207-V211 HydrophobicContact CD1-CG2 4.18Å; F207-V211 HydrophobicContact CE1-CG2 3.88Å; F207-V211 HydrophobicContact CZ-CG2 4.09Å; F207-V211 WeakPolarHBondContact O-CG2 3.36Å; F207-V211 PolarHBondContact O-N 2.81Å
208I66.7Low62Low74 Ų74113.7 Ų113.738%0.37955%0.548SS..Hα-helixtrans-59.1-43.8174.1-69.2170.1000110.5I204 H210 V211 K212I204-I208 HydrophobicContact CG2-CD1 3.61Å; I204-I208 HydrophobicContact CG2-CG1 4.27Å; I204-I208 WeakPolarHBondContact O-CB 3.33Å; I204-I208 VanDerWaalsContact O-CG1 3.26Å; I204-I208 WeakPolarHBondContact O-CG1 3.5Å; I204-I208 PolarHBondContact O-N 2.76Å; I208-H210 VanDerWaalsContact C-N 3.34Å; I208-H210 PolarHBondContact O-N 2.93Å; I208-V211 PolarHBondContact O-N 2.82Å; I208-K212 HydrophobicContact CG2-CD 4.17Å; I208-K212 HydrophobicContact CG2-CG 4.45Å; I208-K212 WeakPolarHBondContact O-CB 3.46Å; I208-K212 WeakPolarHBondContact O-CG 3.38Å; I208-K212 PolarHBondContact O-N 3.35Å
209A68.2Low63.1Low53 Ų53115 Ų11544%0.43855%0.554SS.*Hα-helixtrans-63.3-38.9176.600000112.3N205 S206 F207 K213N205-A209 VanDerWaalsContact O-CB 3.29Å; N205-A209 WeakPolarHBondContact O-CB 3.07Å; N205-A209 PolarHBondContact O-N 3.07Å; S206-A209 PolarHBondContact O-N 3.37Å; F207-A209 VanDerWaalsContact C-N 3.32Å; F207-A209 PolarHBondContact O-N 3.46Å; A209-K213 WeakPolarHBondContact O-CB 3.44Å; A209-K213 PolarHBondContact O-N 2.82Å
210H76.6Confident63.9Low112 Ų112122.7 Ų122.752%0.51958%0.578SS.*Hα-helixtrans-66.6-43.5176-162.789.8000112.1S206 F207 I208 K213 K214S206-H210 WeakPolarHBondContact O-CB 3.14Å; S206-H210 PolarHBondContact O-N 2.86Å; F207-H210 WeakPolarHBondContact O-CB 3.27Å; F207-H210 PolarHBondContact O-N 3.42Å; F207-H210 VanDerWaalsContact O-N 3.16Å; I208-H210 VanDerWaalsContact C-N 3.34Å; I208-H210 PolarHBondContact O-N 2.93Å; H210-K213 PolarHBondContact O-N 3.32Å; H210-K214 PolarHBondContact O-N 2.89Å
211V72.5Confident64Low61 Ų61127.4 Ų127.437%0.3759%0.589SS.*Hα-helixtrans-64.3-43.6175.8172.70000111.2F207 I208 K213 K214 K215F207-V211 HydrophobicContact CD1-CG2 4.18Å; F207-V211 HydrophobicContact CE1-CG2 3.88Å; F207-V211 HydrophobicContact CZ-CG2 4.09Å; F207-V211 WeakPolarHBondContact O-CG2 3.36Å; F207-V211 PolarHBondContact O-N 2.81Å; I208-V211 PolarHBondContact O-N 2.82Å; V211-K213 PolarHBondContact O-N 3.31Å; V211-K214 PolarHBondContact O-N 3.24Å; V211-K215 PolarHBondContact O-N 3.21Å
212K72.4Confident63.7Low146 Ų146128.6 Ų128.664%0.63561%0.612SS**Hα-helixtrans-60.9-42.5174.7-77.8-177.9178.6-179.80111.9I208 K214 K215 K216I208-K212 HydrophobicContact CG2-CD 4.17Å; I208-K212 HydrophobicContact CG2-CG 4.45Å; I208-K212 WeakPolarHBondContact O-CB 3.46Å; I208-K212 WeakPolarHBondContact O-CG 3.38Å; I208-K212 PolarHBondContact O-N 3.35Å; K212-K214 PolarHBondContact O-N 3.28Å; K212-K215 PolarHBondContact O-N 3.41Å; K212-K216 WeakPolarHBondContact O-CB 3.36Å; K212-K216 PolarHBondContact O-N 3.43Å
213K73.2Confident64.2Low165 Ų165128.9 Ų128.972%0.71762%0.619SS**Hα-helixtrans-62.3-39.5174.3-91.5-179.6175.6174.30112.6A209 H210 V211 K217A209-K213 WeakPolarHBondContact O-CB 3.44Å; A209-K213 PolarHBondContact O-N 2.82Å; H210-K213 PolarHBondContact O-N 3.32Å; V211-K213 PolarHBondContact O-N 3.31Å; K213-K217 WeakPolarHBondContact O-CB 3.36Å; K213-K217 PolarHBondContact O-N 3.02Å; K213-K217 VanDerWaalsContact O-N 3.09Å
214K71.1Confident64.8Low142 Ų142129.6 Ų129.662%0.61762%0.623SS**Hα-helixtrans-67-43.2175.9-83.2-171176.5179.90112.5H210 V211 K212 K217 K218H210-K214 PolarHBondContact O-N 2.89Å; V211-K214 PolarHBondContact O-N 3.24Å; K212-K214 PolarHBondContact O-N 3.28Å; K214-K217 PolarHBondContact O-N 2.58Å; K214-K218 PolarHBondContact O-N 3.29Å; K214-K218 VanDerWaalsContact O-N 3.1Å
215K68.1Low65.1Low141 Ų141131.6 Ų131.661%0.61363%0.631SS**Hα-helixtrans-59.7-48.9174.5-87.7-172.2171-174.20111.8V211 K212 K217 K218 E219V211-K215 PolarHBondContact O-N 3.21Å; K212-K215 PolarHBondContact O-N 3.41Å; K215-K217 VanDerWaalsContact C-N 3.26Å; K215-K217 PolarHBondContact O-N 3.43Å; K215-K218 WeakPolarHBondContact O-CA 3.13Å; K215-K218 WeakPolarHBondContact O-CB 3.48Å; K215-K218 PolarHBondContact O-N 3.19Å; K215-E219 PolarHBondContact O-N 2.98Å
216K66.4Low65.5Low129 Ų129133.5 Ų133.556%0.56164%0.637SS**Hα-helixtrans-63.5-28.4179.1-154.1170.9-170.5173.70113.5K212 R220K212-K216 WeakPolarHBondContact O-CB 3.36Å; K212-K216 PolarHBondContact O-N 3.43Å; K216-R220 WeakPolarHBondContact O-CG 3Å; K216-R220 PolarHBondContact O-N 2.91Å
217K66.9Low66.1Low162 Ų162136.9 Ų136.970%0.70464%0.642SS**Hα-helixtrans-75.5-27.5171.8-105.4-175.7175.4-177.30113.3K213 K214 K215K213-K217 WeakPolarHBondContact O-CB 3.36Å; K213-K217 PolarHBondContact O-N 3.02Å; K213-K217 VanDerWaalsContact O-N 3.09Å; K214-K217 PolarHBondContact O-N 2.58Å; K215-K217 VanDerWaalsContact C-N 3.26Å; K215-K217 PolarHBondContact O-N 3.43Å
218K65.2Low66Low167 Ų167136.5 Ų136.573%0.72664%0.643SS**Hα-helixtrans-78.6-39178.1-157.1174.6-177.6-175.10110.8K214 K215 R220 K221K214-K218 PolarHBondContact O-N 3.29Å; K214-K218 VanDerWaalsContact O-N 3.1Å; K215-K218 WeakPolarHBondContact O-CA 3.13Å; K215-K218 WeakPolarHBondContact O-CB 3.48Å; K215-K218 PolarHBondContact O-N 3.19Å; K218-R220 VanDerWaalsContact C-N 3.28Å; K218-R220 PolarHBondContact O-N 3.44Å; K218-K221 PolarHBondContact O-N 3.1Å
219E64.3Low65.9Low136 Ų136140.9 Ų140.964%0.63666%0.662SS**Hα-helixtrans-67.7-22.5174.1-72.2164.8-176.200114K215K215-E219 PolarHBondContact O-N 2.98Å
220R59.2Low65.8Low197 Ų197147.7 Ų147.774%0.74368%0.679SS**THydrogen-bonded Turntrans-89.1-0.2175-73178.3174.3-166.9-4.1114K216 K218K216-R220 WeakPolarHBondContact O-CG 3Å; K216-R220 PolarHBondContact O-N 2.91Å; K218-R220 VanDerWaalsContact C-N 3.28Å; K218-R220 PolarHBondContact O-N 3.44Å
221K54Low64.9Low190 Ų190150.7 Ų150.783%0.82669%0.693SS**  trans-111.4-0.8-179.8-86.2-169.8171-164.90113K218K218-K221 PolarHBondContact O-N 3.1Å
222C45.1Very low64.2Low172 Ų172158.8 Ų158.8100%1.16272%0.722SS**  trans-103.70158.7-71.20000107.4

Retrieved 222 of 222 residues in 85.2 ms (Link to these results)