A0A087X7S0_POEFO Loading...

40S ribosomal protein S8

AlphaFold DB (A0A3B3TPC9), UniProt , Accession A0A087X7S0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 208 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
1M70.9Confident93.1Very high164 Ų164101.9 Ų101.981%0.80849%0.489SS*.  0128.40-88.3-173.7-78.200108.8K24M1-K24 HydrophobicContact CB-CD 4.34Å; M1-K24 HydrophobicContact CE-CB 3.72Å; M1-K24 VanDerWaalsContact CE-O 3.23Å; M1-K24 WeakPolarHBondContact CE-O 3.48Å; M1-K24 HydrophobicContact SD-CB 3.29Å; M1-K24 WeakPolarHBondContact SD-CB 3.46Å
2G89.9Confident93.5Very high57 Ų57106.6 Ų106.659%0.58850%0.498SS*.  trans-89.9-140.4-174.700000114.4K24G2-K24 PolarHBondContact O-NZ 3.05Å; G2-K24 VanDerWaalsContact O-NZ 3.09Å
3I94.9Very high93.8Very high109 Ų109115.4 Ų115.456%0.55953%0.534SS*.SBendtrans-53.2137.3172.4-57.3170.9000109.2G30I3-G30 WeakPolarHBondContact O-CA 3.4Å; I3-G30 PolarHBondContact O-N 3.26Å
4S95.6Very high94.1Very high25 Ų25116 Ų11618%0.17555%0.55CS.*BIsolated β-bridgetrans-120.9143.1-177.1-170.40000110.7D6 E28S4-D6 WeakPolarHBondContact CB-OD1 3.44Å; S4-D6 PolarHBondContact OG-OD1 3.32Å; S4-E28 CarbonylContact C-O 3.51Å
5R96.3Very high94.3Very high205 Ų205110.6 Ų110.677%0.77454%0.537SS*.  trans-104.717.6179.7-62-179.862.2-166.8-3.1111.9E28 L29R5-E28 WeakPolarHBondContact CB-O 3.4Å; R5-E28 PolarHBondContact N-O 3.14Å; R5-L29 WeakPolarHBondContact CD-O 3.47Å
6D95.8Very high94.6Very high13 Ų13105.7 Ų105.77%0.0752%0.524CS..  trans-65.6157.8175.665.9-74.1000111.4S4 W8 H9 E28S4-D6 WeakPolarHBondContact CB-OD1 3.44Å; S4-D6 PolarHBondContact OG-OD1 3.32Å; D6-W8 HydrophobicContact CB-CD2 4.28Å; D6-W8 HydrophobicContact CB-CG 4.27Å; D6-W8 HydrophobicContact CB-CZ2 4.22Å; D6-W8 VanDerWaalsContact CB-NE1 3.26Å; D6-H9 PolarHBondContact O-CE1 3.41Å; D6-H9 PolarHBondContact O-ND1 3.16Å; D6-H9 IonicContact OD1-ND1 2.94Å; D6-H9 PolarHBondContact OD1-ND1 3.43Å; D6-H9 WeakPolarHBondContact OD2-CB 3.43Å; D6-H9 IonicContact OD2-CE1 2.65Å; D6-H9 IonicContact OD2-CG 3.02Å; D6-H9 PolarHBondContact OD2-N 3.33Å; D6-H9 VanDerWaalsContact OD2-N 3.07Å; D6-H9 IonicContact OD2-ND1 3.9Å; D6-H9 PolarHBondContact OD2-ND1 2.96Å; D6-E28 HydrophobicContact CB-CG 4.49Å; D6-E28 WeakPolarHBondContact CB-OE1 3.43Å
7N96.3Very high94.7Very high107 Ų107110.1 Ų110.157%0.57254%0.54SS*.SBendtrans-103.3-10.9177.662.94000112.8K10N7-K10 PolarHBondContact O-N 3.07Å
8W95.1Very high94.8Very high21 Ų21109.2 Ų109.28%0.0853%0.529CS..THydrogen-bonded Turntrans-84-18-171.653-103.9000113.3D6 K10 P20 H22 K24 E28D6-W8 HydrophobicContact CB-CD2 4.28Å; D6-W8 HydrophobicContact CB-CG 4.27Å; D6-W8 HydrophobicContact CB-CZ2 4.22Å; D6-W8 VanDerWaalsContact CB-NE1 3.26Å; W8-K10 PolarHBondContact O-N 3.49Å; W8-P20 HydrophobicContact CE3-CB 3.86Å; W8-P20 HydrophobicContact CE3-CG 4.04Å; W8-P20 HydrophobicContact CH2-CB 4.29Å; W8-P20 HydrophobicContact CZ3-CB 3.47Å; W8-P20 VanDerWaalsContact CZ3-CB 3.47Å; W8-P20 HydrophobicContact CZ3-CG 3.64Å; W8-H22 AromaticContact CE2-CE1 3.85Å; W8-H22 AromaticContact NE1-CE1 3.41Å; W8-H22 PolarHBondContact NE1-CE1 3.09Å; W8-K24 HydrophobicContact CH2-CG 4.41Å; W8-K24 HydrophobicContact CZ2-CG 4.36Å; W8-E28 PolarHBondContact NE1-OE1 3.42Å; W8-E28 VanDerWaalsContact NE1-OE1 3.08Å
9H94.9Very high95Very high119 Ų119113.7 Ų113.755%0.55155%0.546SS*.THydrogen-bonded Turntrans-67.1-15.7168.274.1-87.9000113.5D6D6-H9 PolarHBondContact O-CE1 3.41Å; D6-H9 PolarHBondContact O-ND1 3.16Å; D6-H9 IonicContact OD1-ND1 2.94Å; D6-H9 PolarHBondContact OD1-ND1 3.43Å; D6-H9 WeakPolarHBondContact OD2-CB 3.43Å; D6-H9 IonicContact OD2-CE1 2.65Å; D6-H9 IonicContact OD2-CG 3.02Å; D6-H9 PolarHBondContact OD2-N 3.33Å; D6-H9 VanDerWaalsContact OD2-N 3.07Å; D6-H9 IonicContact OD2-ND1 3.9Å; D6-H9 PolarHBondContact OD2-ND1 2.96Å
10K97.1Very high95.1Very high125 Ų125112.3 Ų112.354%0.54355%0.546SS..SBendtrans-86.3160-179.7-61.6-170-72.4177.80112.2N7 W8 R18N7-K10 PolarHBondContact O-N 3.07Å; W8-K10 PolarHBondContact O-N 3.49Å; K10-R18 WeakPolarHBondContact O-CD 3.42Å
11R97.6Very high95.1Very high176 Ų176115.2 Ų115.266%0.66455%0.553SS**PPolyproline II helixtrans-65158.8172.8-69.8177.2177.3-893.9111.7G15R11-G15 WeakPolarHBondContact CD-O 3.46Å; R11-G15 PolarHBondContact NH1-O 3.22Å
12R97.2Very high96.4Very high158 Ų158109.2 Ų109.260%0.59652%0.523SS*.PPolyproline II helixtrans-72.5167.8171.1-65.2-176.3174.3177.1-1.1110.8T14 G15 G16 R18R12-T14 PolarHBondContact O-N 2.98Å; R12-G15 PolarHBondContact O-N 3.25Å; R12-G16 PolarHBondContact N-O 3.5Å; R12-R18 HydrophobicContact CG-CG 3.59Å
13K97.6Very high96.7Very high221 Ų221114.7 Ų114.796%0.96153%0.53SS*.THydrogen-bonded Turntrans-55.1-34.1171.2-172.4178.5178.3-175.70112.1G15K13-G15 PolarHBondContact O-N 3.08Å
14T97.8Very high96.8Very high124 Ų124113.3 Ų113.376%0.76152%0.521SS*.THydrogen-bonded Turntrans-74.9-1.4175.659.40000114.4R12 G16R12-T14 PolarHBondContact O-N 2.98Å; T14-G16 VanDerWaalsContact C-N 3.26Å; T14-G16 PolarHBondContact O-N 3.26Å
15G97.8Very high96.8Very high35 Ų35117.4 Ų117.436%0.36153%0.532SS..SBendtrans84.2-13.5-175.600000115R11 R12 K13R11-G15 WeakPolarHBondContact CD-O 3.46Å; R11-G15 PolarHBondContact NH1-O 3.22Å; R12-G15 PolarHBondContact O-N 3.25Å; K13-G15 PolarHBondContact O-N 3.08Å
16G98.1Very high96.8Very high32 Ų32116.3 Ų116.333%0.3353%0.533SS..PPolyproline II helixtrans-60.5138178.500000113.6R12 T14R12-G16 PolarHBondContact N-O 3.5Å; T14-G16 VanDerWaalsContact C-N 3.26Å; T14-G16 PolarHBondContact O-N 3.26Å
17K97.4Very high96.8Very high180 Ų180122.5 Ų122.578%0.78356%0.556SS**PPolyproline II helixtrans-70.9137.7175.5-174.1175.6179.6179.40110.2
18R96.9Very high96.8Very high94 Ų94118.4 Ų118.436%0.35553%0.534SS..PPolyproline II helixtrans-97.2133.9175.6-62.5177.2751711.4109.8K10 R12K10-R18 WeakPolarHBondContact O-CD 3.42Å; R12-R18 HydrophobicContact CG-CG 3.59Å
19K97Very high96.9Very high195 Ų195120.8 Ų120.885%0.84855%0.548SS*.PPolyproline II helixtrans-80.9127.9167.7-66.8-174.3-179.1-179.90108.8Y21K19-Y21 PolarHBondContact O-N 3.28Å
20P96.9Very high96.9Very high85 Ų85116 Ų11655%0.55253%0.53SS*.PPolyproline II helixtrans-59.7131.4172.9-26.437000111.4W8W8-P20 HydrophobicContact CE3-CB 3.86Å; W8-P20 HydrophobicContact CE3-CG 4.04Å; W8-P20 HydrophobicContact CH2-CB 4.29Å; W8-P20 HydrophobicContact CZ3-CB 3.47Å; W8-P20 VanDerWaalsContact CZ3-CB 3.47Å; W8-P20 HydrophobicContact CZ3-CG 3.64Å
21Y96.6Very high96.9Very high174 Ų174115 Ų11568%0.68252%0.523SS*.  trans-99.9-12.3-179.565.6-79.5000113.1K19K19-Y21 PolarHBondContact O-N 3.28Å
22H96.8Very high96.9Very high38 Ų38111.2 Ų111.218%0.17652%0.521CS..SBendtrans-148.3166.8174.36356.7000112W8 E28W8-H22 AromaticContact CE2-CE1 3.85Å; W8-H22 AromaticContact NE1-CE1 3.41Å; W8-H22 PolarHBondContact NE1-CE1 3.09Å; H22-E28 IonicContact CE1-OE1 4Å
23K96.3Very high96.8Very high172 Ų172108.1 Ų108.175%0.74852%0.522SS*.  trans-71.2157.8170.8-62.2180-179.2177.60110.9
24K97Very high96.8Very high81 Ų8198.5 Ų98.535%0.35248%0.483SS..  trans-52.8145.3175.6-73177176.8179.60111.7M1 G2 W8M1-K24 HydrophobicContact CB-CD 4.34Å; M1-K24 HydrophobicContact CE-CB 3.72Å; M1-K24 VanDerWaalsContact CE-O 3.23Å; M1-K24 WeakPolarHBondContact CE-O 3.48Å; M1-K24 HydrophobicContact SD-CB 3.29Å; M1-K24 WeakPolarHBondContact SD-CB 3.46Å; G2-K24 PolarHBondContact O-NZ 3.05Å; G2-K24 VanDerWaalsContact O-NZ 3.09Å; W8-K24 HydrophobicContact CH2-CG 4.41Å; W8-K24 HydrophobicContact CZ2-CG 4.36Å
25R96.4Very high96.8Very high111 Ų11197 Ų9742%0.41947%0.471SS..  trans-109.4151.1178.8-57.2-58.8-172.4-155.55.7112Y27 E28R25-Y27 VanDerWaalsContact C-N 3.25Å; R25-Y27 HydrophobicContact CB-CD1 3.82Å; R25-Y27 HydrophobicContact CB-CE1 3.41Å; R25-Y27 VanDerWaalsContact CB-CE1 3.41Å; R25-Y27 HydrophobicContact CB-CE2 4.14Å; R25-Y27 HydrophobicContact CB-CG 4.36Å; R25-Y27 HydrophobicContact CG-CE1 3.82Å; R25-Y27 PolarHBondContact O-N 3.34Å; R25-E28 HydrophobicContact CB-CG 4.14Å; R25-E28 PolarHBondContact N-OE2 3.14Å; R25-E28 WeakPolarHBondContact O-CB 3.3Å; R25-E28 PolarHBondContact O-N 3.11Å
26K96.1Very high96.8Very high181 Ų18195.4 Ų95.479%0.78745%0.454SS*.G310 helixtrans-59.3-34.3-178.6-172172.7-176.91740112.8E28 L29K26-E28 VanDerWaalsContact C-N 3.27Å; K26-E28 PolarHBondContact O-N 3.32Å; K26-L29 HydrophobicContact CG-CD2 4.37Å; K26-L29 WeakPolarHBondContact O-CB 3.07Å; K26-L29 WeakPolarHBondContact O-CD2 3.32Å; K26-L29 VanDerWaalsContact O-CG 3.3Å; K26-L29 WeakPolarHBondContact O-CG 3.4Å; K26-L29 PolarHBondContact O-N 3.46Å
27Y96.1Very high96.8Very high143 Ų14397.2 Ų97.256%0.56145%0.453SS*.G310 helixtrans-74.2-15.9178.760.9-102.3000113.7R25 L29R25-Y27 VanDerWaalsContact C-N 3.25Å; R25-Y27 HydrophobicContact CB-CD1 3.82Å; R25-Y27 HydrophobicContact CB-CE1 3.41Å; R25-Y27 VanDerWaalsContact CB-CE1 3.41Å; R25-Y27 HydrophobicContact CB-CE2 4.14Å; R25-Y27 HydrophobicContact CB-CG 4.36Å; R25-Y27 HydrophobicContact CG-CE1 3.82Å; R25-Y27 PolarHBondContact O-N 3.34Å; Y27-L29 VanDerWaalsContact C-N 3.26Å; Y27-L29 PolarHBondContact O-N 2.86Å
28E96.6Very high96.9Very high22 Ų2290.9 Ų90.910%0.10343%0.427CS..G310 helixtrans-84.62.2176.1-59173.9132.300112.1S4 R5 D6 W8 H22 R25 K26 G30S4-E28 CarbonylContact C-O 3.51Å; R5-E28 WeakPolarHBondContact CB-O 3.4Å; R5-E28 PolarHBondContact N-O 3.14Å; D6-E28 HydrophobicContact CB-CG 4.49Å; D6-E28 WeakPolarHBondContact CB-OE1 3.43Å; W8-E28 PolarHBondContact NE1-OE1 3.42Å; W8-E28 VanDerWaalsContact NE1-OE1 3.08Å; H22-E28 IonicContact CE1-OE1 4Å; R25-E28 HydrophobicContact CB-CG 4.14Å; R25-E28 PolarHBondContact N-OE2 3.14Å; R25-E28 WeakPolarHBondContact O-CB 3.3Å; R25-E28 PolarHBondContact O-N 3.11Å; K26-E28 VanDerWaalsContact C-N 3.27Å; K26-E28 PolarHBondContact O-N 3.32Å; E28-G30 PolarHBondContact O-N 2.58Å
29L96.4Very high96.9Very high70 Ų7087.5 Ų87.537%0.36642%0.421SS..BIsolated β-bridgetrans-61.7139.6-17474.184.2000112.8R5 K26 Y27 R31R5-L29 WeakPolarHBondContact CD-O 3.47Å; K26-L29 HydrophobicContact CG-CD2 4.37Å; K26-L29 WeakPolarHBondContact O-CB 3.07Å; K26-L29 WeakPolarHBondContact O-CD2 3.32Å; K26-L29 VanDerWaalsContact O-CG 3.3Å; K26-L29 WeakPolarHBondContact O-CG 3.4Å; K26-L29 PolarHBondContact O-N 3.46Å; Y27-L29 VanDerWaalsContact C-N 3.26Å; Y27-L29 PolarHBondContact O-N 2.86Å; L29-R31 HydrophobicContact CD1-CG 3.9Å
30G96.2Very high96.9Very high18 Ų1881.4 Ų81.419%0.18641%0.407CS..  trans-97.3163.6159.800000110.9I3 E28I3-G30 WeakPolarHBondContact O-CA 3.4Å; I3-G30 PolarHBondContact O-N 3.26Å; E28-G30 PolarHBondContact O-N 2.58Å
31R96.2Very high97Very high106 Ų10686.6 Ų86.640%0.442%0.416SS..  trans-130.4152.4170.1-70-173.1176.297.3-10.8109.3L29 R47L29-R31 HydrophobicContact CD1-CG 3.9Å; R31-R47 PolarHBondContact NH2-O 3.21Å
32P96.8Very high97.1Very high96 Ų9683.9 Ų83.962%0.62340%0.404SS*.  trans-51.2149173-27.535.7000112.7
33P96.8Very high97.1Very high93 Ų9384.9 Ų84.960%0.60441%0.41SS*.  trans-65.3155.3174.530.2-35.4000110.7
34A96.9Very high97.2Very high18 Ų1881.7 Ų81.715%0.14940%0.398CS..  trans-80.5-28.8-179.500000112.9T36A34-T36 PolarHBondContact O-N 3.18Å
35N97.6Very high97.3Very high93 Ų9381.8 Ų81.850%0.49741%0.405SS..  trans43.448.7-177.1-65.1-19.1000113.2K37N35-K37 WeakPolarHBondContact O-CG 3.32Å; N35-K37 PolarHBondContact O-N 2.93Å
36T98.4Very high97.4Very high2 Ų278.1 Ų78.11%0.01240%0.395CS..  trans-54.3128.4-175.1-48.80000111.2A34 A57 L58 L60 T95 L96 P179A34-T36 PolarHBondContact O-N 3.18Å; T36-A57 WeakPolarHBondContact CB-O 3.47Å; T36-A57 HydrophobicContact CG2-CB 3.6Å; T36-A57 PolarHBondContact OG1-O 3.48Å; T36-L58 WeakPolarHBondContact CA-O 3.42Å; T36-L60 HydrophobicContact CG2-CB 4.45Å; T36-L60 HydrophobicContact CG2-CD1 4.11Å; T36-L60 HydrophobicContact CG2-CG 4.09Å; T36-T95 CarbonylContact O-C 3.56Å; T36-T95 WeakPolarHBondContact O-CA 3.29Å; T36-L96 HydrophobicContact CG2-CB 4.37Å; T36-L96 HydrophobicContact CG2-CD1 4.34Å; T36-L96 PolarHBondContact O-N 2.99Å; T36-P179 HydrophobicContact CG2-CB 4.16Å
37K98.1Very high97.5Very high70 Ų7078.6 Ų78.630%0.30439%0.392SS..EExtended strand (participates in β ladder)trans-109.6164.8-180-58.7-56.5-174.5174.60112.4N35 L58 R59 L60 T93 T95N35-K37 WeakPolarHBondContact O-CG 3.32Å; N35-K37 PolarHBondContact O-N 2.93Å; K37-L58 PolarHBondContact N-O 2.96Å; K37-R59 CarbonylContact O-C 3.59Å; K37-R59 VanDerWaalsContact O-CA 3.24Å; K37-R59 WeakPolarHBondContact O-CA 3.48Å; K37-L60 PolarHBondContact O-N 3.3Å; K37-T93 WeakPolarHBondContact CD-O 3.25Å; K37-T93 VanDerWaalsContact NZ-CB 3.27Å; K37-T93 PolarHBondContact NZ-O 3.3Å; K37-T93 PolarHBondContact NZ-OG1 3.06Å; K37-T95 PolarHBondContact NZ-OG1 2.97Å
38I98.1Very high97.5Very high47 Ų4773.3 Ų73.324%0.24137%0.374CS..EExtended strand (participates in β ladder)trans-73.2129.6168-57.6174.3000109.1L60 I78 V81 K94 L96I38-L60 VanDerWaalsContact CA-O 3.26Å; I38-L60 WeakPolarHBondContact CA-O 3.39Å; I38-I78 HydrophobicContact CD1-CG2 3.98Å; I38-I78 HydrophobicContact CG1-CG2 4.26Å; I38-V81 HydrophobicContact CD1-CG2 4.05Å; I38-K94 HydrophobicContact CD1-CB 4.43Å; I38-L96 HydrophobicContact CD1-CD2 4.45Å; I38-L96 HydrophobicContact CG1-CD1 4.26Å; I38-L96 HydrophobicContact CG1-CD2 4.05Å; I38-L96 HydrophobicContact CG1-CG 4.25Å
39G97.8Very high97.5Very high22 Ų2282 Ų8223%0.22741%0.406CS..SBendtrans156.6179.117600000112.8R41 L60 D61G39-R41 PolarHBondContact O-N 3.28Å; G39-L60 PolarHBondContact N-O 3.16Å; G39-L60 CarbonylContact O-C 3.18Å; G39-L60 PolarHBondContact O-N 3.47Å; G39-D61 WeakPolarHBondContact O-CB 3.31Å; G39-D61 PolarHBondContact O-N 3.16Å
40A97.8Very high97.5Very high67 Ų6782.1 Ų82.155%0.55442%0.424SS*.SBendtrans-49.9128.8-176.700000112.2R42 R59A40-R42 PolarHBondContact O-N 3.06Å; A40-R42 VanDerWaalsContact O-N 3.13Å; A40-R59 WeakPolarHBondContact O-CB 3.36Å
41R98Very high97.6Very high195 Ų19583 Ų8374%0.73643%0.433SS*.  trans-49.8115.4-170.3-173.7175.476.1158.11.5112.5G39 I43 R59 L60G39-R41 PolarHBondContact O-N 3.28Å; R41-I43 HydrophobicContact CG-CD1 4.1Å; R41-I43 HydrophobicContact CG-CG1 4.31Å; R41-R59 WeakPolarHBondContact CA-O 3.41Å; R41-L60 HydrophobicContact CG-CD2 4.15Å
42R98.4Very high97.7Very high116 Ų11683.2 Ų83.244%0.43844%0.442SS..EExtended strand (participates in β ladder)trans-135.4115.7174.2-174-178.3-66-168.8-4.8110.2A40 L58 R59A40-R42 PolarHBondContact O-N 3.06Å; A40-R42 VanDerWaalsContact O-N 3.13Å; R42-L58 HydrophobicContact CG-CB 4.43Å; R42-L58 HydrophobicContact CG-CD1 4.37Å; R42-L58 PolarHBondContact O-N 3.1Å; R42-R59 HydrophobicContact CB-CB 4.17Å; R42-R59 HydrophobicContact CB-CG 4.44Å; R42-R59 PolarHBondContact N-O 3.09Å; R42-R59 VanDerWaalsContact NH1-NH2 3.12Å; R42-R59 PolarHBondContact O-N 3.12Å
43I98.4Very high97.7Very high60 Ų6085.6 Ų85.631%0.30844%0.443SS..EExtended strand (participates in β ladder)trans-131127.1-176.1-57.7171.2000109.1R41 Y55 R56 A57 L60 G183R41-I43 HydrophobicContact CG-CD1 4.1Å; R41-I43 HydrophobicContact CG-CG1 4.31Å; I43-Y55 HydrophobicContact CG2-CD1 4.44Å; I43-R56 WeakPolarHBondContact CA-O 3.41Å; I43-A57 HydrophobicContact CG1-CB 4.34Å; I43-L60 HydrophobicContact CD1-CD2 4.1Å; I43-L60 HydrophobicContact CG1-CD2 4.25Å; I43-G183 WeakPolarHBondContact CD1-O 3.41Å
44H98.3Very high97.8Very high105 Ų10585.2 Ų85.249%0.48643%0.431SS..EExtended strand (participates in β ladder)trans-105.7135.4175.1-72.1-164.7000110.8R56H44-R56 PolarHBondContact N-O 2.87Å; H44-R56 PolarHBondContact O-N 3.44Å
45T98.2Very high97.9Very high82 Ų8289.3 Ų89.350%0.50344%0.444SS..EExtended strand (participates in β ladder)trans-84139175.4-57.10000110.5K53 Y55T45-K53 HydrophobicContact CG2-CB 4.04Å; T45-K53 HydrophobicContact CG2-CD 4.01Å; T45-K53 HydrophobicContact CG2-CG 4.03Å; T45-Y55 HydrophobicContact CG2-CD1 4.46Å; T45-Y55 HydrophobicContact CG2-CE1 4.22Å
46V97.8Very high97.9Very high34 Ų3486.9 Ų86.921%0.20643%0.428CS..EExtended strand (participates in β ladder)trans-128121.5178.3179.80000109.5K54 R56V46-K54 PolarHBondContact N-O 3.44Å; V46-K54 PolarHBondContact O-N 3.09Å; V46-R56 HydrophobicContact CG2-CG 3.64Å
47R97.8Very high97.9Very high192 Ų19286.8 Ų86.873%0.72543%0.427SS*.EExtended strand (participates in β ladder)trans-69.1134.1171.4-171.9178.7179.7-173.31110.4R31 N52R31-R47 PolarHBondContact NH2-O 3.21Å; R47-N52 WeakPolarHBondContact CA-O 3.35Å
48V97.6Very high97.9Very high31 Ų3186.2 Ų86.219%0.18843%0.427CS..  trans-120.7-177.5179.4-580000111.5G51 N52 K54V48-G51 PolarHBondContact O-N 3.15Å; V48-N52 HydrophobicContact CG2-CB 3.69Å; V48-N52 WeakPolarHBondContact CG2-O 3.35Å; V48-N52 PolarHBondContact N-O 3.29Å; V48-K54 HydrophobicContact CG1-CB 4.22Å; V48-K54 HydrophobicContact CG1-CD 3.96Å; V48-K54 HydrophobicContact CG1-CG 3.85Å; V48-K54 HydrophobicContact CG2-CG 4.34Å
49R96.1Very high97.9Very high206 Ų20688.5 Ų88.578%0.77743%0.433SS*.G310 helixtrans-55.9141.1-179.9-173.9177-178.4176.80.1110.4G51R49-G51 VanDerWaalsContact C-N 3.3Å
50G97.4Very high98Very high71 Ų7187.8 Ų87.873%0.73242%0.423SS*.G310 helixtrans75.214.5-178.200000114.4N52G50-N52 PolarHBondContact O-N 3.46Å
51G96.8Very high97.9Very high38 Ų3887.6 Ų87.639%0.39241%0.413SS..G310 helixtrans81.3-5.517800000115.3V48 R49V48-G51 PolarHBondContact O-N 3.15Å; R49-G51 VanDerWaalsContact C-N 3.3Å
52N98.2Very high97.9Very high109 Ų10979.6 Ų79.658%0.58339%0.389SS*.  trans-64.4164.8179-67.3-40.9000113.3R47 V48 G50R47-N52 WeakPolarHBondContact CA-O 3.35Å; V48-N52 HydrophobicContact CG2-CB 3.69Å; V48-N52 WeakPolarHBondContact CG2-O 3.35Å; V48-N52 PolarHBondContact N-O 3.29Å; G50-N52 PolarHBondContact O-N 3.46Å
53K97.8Very high97.8Very high147 Ų14774.3 Ų74.364%0.63937%0.37SS*.EExtended strand (participates in β ladder)trans-114145.9179.2-65.9175.6-178.7175.70111.3T45T45-K53 HydrophobicContact CG2-CB 4.04Å; T45-K53 HydrophobicContact CG2-CD 4.01Å; T45-K53 HydrophobicContact CG2-CG 4.03Å
54K98.4Very high97.8Very high84 Ų8474.9 Ų74.937%0.36537%0.374SS..EExtended strand (participates in β ladder)trans-126.3154.4165.1-72-167175-173.50109.7V46 V48V46-K54 PolarHBondContact N-O 3.44Å; V46-K54 PolarHBondContact O-N 3.09Å; V48-K54 HydrophobicContact CG1-CB 4.22Å; V48-K54 HydrophobicContact CG1-CD 3.96Å; V48-K54 HydrophobicContact CG1-CG 3.85Å; V48-K54 HydrophobicContact CG2-CG 4.34Å
55Y98.4Very high97.9Very high105 Ų10569.9 Ų69.941%0.41235%0.351SS..EExtended strand (participates in β ladder)trans-114.8115.6-176.6-57.4-77000109.7I43 T45 Q181 G183I43-Y55 HydrophobicContact CG2-CD1 4.44Å; T45-Y55 HydrophobicContact CG2-CD1 4.46Å; T45-Y55 HydrophobicContact CG2-CE1 4.22Å; Y55-Q181 PolarHBondContact N-O 2.83Å; Y55-Q181 CarbonylContact O-C 3.57Å; Y55-G183 PolarHBondContact O-N 3.14Å; Y55-G183 VanDerWaalsContact O-N 3.13Å
56R98.4Very high97.9Very high42 Ų4267.7 Ų67.716%0.15834%0.339CS..EExtended strand (participates in β ladder)trans-94.899.2177.4-65.7-58.4-165.4144.79.4108.6I43 H44 V46 L58 G180I43-R56 WeakPolarHBondContact CA-O 3.41Å; H44-R56 PolarHBondContact N-O 2.87Å; H44-R56 PolarHBondContact O-N 3.44Å; V46-R56 HydrophobicContact CG2-CG 3.64Å; R56-L58 PolarHBondContact O-N 3.45Å; R56-G180 WeakPolarHBondContact CD-O 3.47Å; R56-G180 PolarHBondContact NE-O 2.99Å; R56-G180 PolarHBondContact NH1-O 3.16Å
57A98.4Very high97.9Very high0 Ų066.1 Ų66.10%033%0.329CS..EExtended strand (participates in β ladder)trans-66.1123.6166.700000109.7T36 I43 L60 P179T36-A57 WeakPolarHBondContact CB-O 3.47Å; T36-A57 HydrophobicContact CG2-CB 3.6Å; T36-A57 PolarHBondContact OG1-O 3.48Å; I43-A57 HydrophobicContact CG1-CB 4.34Å; A57-L60 HydrophobicContact CB-CD1 3.61Å; A57-L60 HydrophobicContact CB-CD2 4.19Å; A57-L60 HydrophobicContact CB-CG 3.74Å; A57-P179 HydrophobicContact CB-CB 4.37Å; A57-P179 WeakPolarHBondContact CB-O 3.36Å; A57-P179 PolarHBondContact N-O 3.31Å
58L98.3Very high97.8Very high57 Ų5759.4 Ų59.430%0.29832%0.32SS..EExtended strand (participates in β ladder)trans-96-37.6169.6-59.3-179.2000110.1T36 K37 R42 R56T36-L58 WeakPolarHBondContact CA-O 3.42Å; K37-L58 PolarHBondContact N-O 2.96Å; R42-L58 HydrophobicContact CG-CB 4.43Å; R42-L58 HydrophobicContact CG-CD1 4.37Å; R42-L58 PolarHBondContact O-N 3.1Å; R56-L58 PolarHBondContact O-N 3.45Å
59R98.4Very high97.7Very high96 Ų9661.5 Ų61.536%0.36234%0.336SS..EExtended strand (participates in β ladder)trans-139.2137.4175.1-57.9179.1-149.9171.8-2.3110.5K37 A40 R41 R42K37-R59 CarbonylContact O-C 3.59Å; K37-R59 VanDerWaalsContact O-CA 3.24Å; K37-R59 WeakPolarHBondContact O-CA 3.48Å; A40-R59 WeakPolarHBondContact O-CB 3.36Å; R41-R59 WeakPolarHBondContact CA-O 3.41Å; R42-R59 HydrophobicContact CB-CB 4.17Å; R42-R59 HydrophobicContact CB-CG 4.44Å; R42-R59 PolarHBondContact N-O 3.09Å; R42-R59 VanDerWaalsContact NH1-NH2 3.12Å; R42-R59 PolarHBondContact O-N 3.12Å
60L98.2Very high97.6Very high6 Ų653.5 Ų53.53%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-141.9140.3172.7-66.4173.7000109.3T36 K37 I38 G39 R41 I43 A57 L96 P179 A185T36-L60 HydrophobicContact CG2-CB 4.45Å; T36-L60 HydrophobicContact CG2-CD1 4.11Å; T36-L60 HydrophobicContact CG2-CG 4.09Å; K37-L60 PolarHBondContact O-N 3.3Å; I38-L60 VanDerWaalsContact CA-O 3.26Å; I38-L60 WeakPolarHBondContact CA-O 3.39Å; G39-L60 PolarHBondContact N-O 3.16Å; G39-L60 CarbonylContact O-C 3.18Å; G39-L60 PolarHBondContact O-N 3.47Å; R41-L60 HydrophobicContact CG-CD2 4.15Å; I43-L60 HydrophobicContact CD1-CD2 4.1Å; I43-L60 HydrophobicContact CG1-CD2 4.25Å; A57-L60 HydrophobicContact CB-CD1 3.61Å; A57-L60 HydrophobicContact CB-CD2 4.19Å; A57-L60 HydrophobicContact CB-CG 3.74Å; L60-L96 HydrophobicContact CB-CD1 4.13Å; L60-P179 HydrophobicContact CD1-CB 4.1Å; L60-A185 HydrophobicContact CD1-CB 3.74Å
61D96.7Very high97.5Very high64 Ų6453.3 Ų53.334%0.34231%0.305SS..SBendtrans-119.3-11.4178.952.9-4.8000112.6G39 R77 I78G39-D61 WeakPolarHBondContact O-CB 3.31Å; G39-D61 PolarHBondContact O-N 3.16Å; D61-R77 CarbonylContact O-C 3.57Å; D61-R77 WeakPolarHBondContact O-CA 3.45Å; D61-R77 VanDerWaalsContact O-CG 3.29Å; D61-R77 WeakPolarHBondContact O-CG 3.27Å; D61-I78 PolarHBondContact O-N 2.95Å
62A97.6Very high97.5Very high26 Ų2651.6 Ų51.622%0.21529%0.288CS..EExtended strand (participates in β ladder)trans-141.1158178.700000111.8K75 T76A62-K75 HydrophobicContact CB-CG 4.5Å; A62-T76 VanDerWaalsContact CA-O 3.28Å; A62-T76 WeakPolarHBondContact CA-O 3.31Å; A62-T76 WeakPolarHBondContact CB-O 3.36Å
63G97.8Very high97.5Very high5 Ų549.1 Ų49.15%0.05228%0.277CS..EExtended strand (participates in β ladder)trans-147.2167176.900000111.2K75 T76 A185G63-K75 WeakPolarHBondContact O-CA 3.38Å; G63-T76 PolarHBondContact N-O 3.4Å; G63-T76 PolarHBondContact O-N 3.49Å; G63-A185 WeakPolarHBondContact CA-O 3.38Å
64N98.4Very high97.5Very high73 Ų7347 Ų4739%0.3926%0.264SS..EExtended strand (participates in β ladder)trans-93.8114.2170.7-161.519.3000109.7T73 R74 D186 G187N64-T73 VanDerWaalsContact CG-CG2 3.43Å; N64-T73 VanDerWaalsContact ND2-CG2 3.34Å; N64-T73 WeakPolarHBondContact ND2-CG2 3.42Å; N64-T73 WeakPolarHBondContact OD1-CG2 3.34Å; N64-R74 VanDerWaalsContact OD1-C 3.26Å; N64-R74 PolarHBondContact OD1-O 3.28Å; N64-D186 HydrophobicContact CB-CB 4.46Å; N64-D186 WeakPolarHBondContact CB-OD1 3.25Å; N64-D186 PolarHBondContact N-OD1 3.46Å; N64-D186 CarbonylContact O-C 3.2Å; N64-D186 WeakPolarHBondContact O-CA 3.28Å; N64-D186 WeakPolarHBondContact O-CB 3.41Å; N64-G187 PolarHBondContact O-N 3.13Å
65F98.6Very high97.5Very high0 Ų050.7 Ų50.70%028%0.28CS..EExtended strand (participates in β ladder)trans-113.5136.5-176.7-67.1-87.8000110.6T73 R74 T76 I78 V102 V104 F109 A173 I175 A185 G187F65-T73 WeakPolarHBondContact O-CA 3.4Å; F65-R74 PolarHBondContact N-O 2.91Å; F65-R74 PolarHBondContact O-N 3.49Å; F65-T76 WeakPolarHBondContact CD2-OG1 3.33Å; F65-I78 HydrophobicContact CE2-CD1 4.26Å; F65-I78 HydrophobicContact CE2-CG1 3.83Å; F65-I78 HydrophobicContact CZ-CD1 4.09Å; F65-I78 HydrophobicContact CZ-CG1 3.9Å; F65-V102 HydrophobicContact CE1-CG2 4.16Å; F65-V102 HydrophobicContact CZ-CG2 4.17Å; F65-V104 HydrophobicContact CD1-CG1 4.31Å; F65-V104 HydrophobicContact CD2-CG1 3.97Å; F65-V104 HydrophobicContact CE1-CG1 4.01Å; F65-V104 HydrophobicContact CE2-CG1 3.63Å; F65-V104 HydrophobicContact CG-CG1 4.29Å; F65-V104 HydrophobicContact CZ-CG1 3.66Å; F65-F109 HydrophobicContact CB-CZ 4.03Å; F65-F109 WeakPolarHBondContact O-CZ 3.45Å; F65-A173 HydrophobicContact CD1-CB 3.65Å; F65-A173 HydrophobicContact CE1-CB 3.81Å; F65-I175 HydrophobicContact CE1-CG1 4.37Å; F65-A185 WeakPolarHBondContact CZ-O 3.29Å; F65-G187 WeakPolarHBondContact CA-O 3.33Å
66S98.5Very high97.4Very high36 Ų3645.9 Ų45.925%0.25226%0.262SS..EExtended strand (participates in β ladder)trans-102.1131.9178.7-172.40000111.6T73 G187 Y188 L189S66-T73 WeakPolarHBondContact CB-OG1 3.37Å; S66-T73 PolarHBondContact OG-OG1 3.19Å; S66-G187 PolarHBondContact N-O 3.31Å; S66-Y188 CarbonylContact O-C 3.53Å; S66-Y188 WeakPolarHBondContact O-CA 2.95Å; S66-Y188 WeakPolarHBondContact O-CB 3.18Å; S66-L189 PolarHBondContact O-N 2.97Å
67W97.9Very high97.4Very high0 Ų050 Ų500%028%0.278CS..EExtended strand (participates in β ladder)trans-91.5105.1165.5-170.92000108.2S69 E70 G71 C72 F109 W112 Y113 I158 L162 F166 L189 E191W67-S69 PolarHBondContact NE1-OG 3.43Å; W67-E70 HydrophobicContact CD2-CB 3.82Å; W67-E70 HydrophobicContact CD2-CG 3.58Å; W67-E70 VanDerWaalsContact CE2-CG 3.41Å; W67-E70 HydrophobicContact CE3-CB 3.99Å; W67-E70 HydrophobicContact CE3-CG 3.79Å; W67-E70 HydrophobicContact CG-CB 4.12Å; W67-E70 HydrophobicContact CG-CG 4.26Å; W67-E70 HydrophobicContact CH2-CG 3.71Å; W67-E70 HydrophobicContact CZ2-CG 3.49Å; W67-E70 VanDerWaalsContact CZ2-CG 3.49Å; W67-E70 HydrophobicContact CZ3-CB 4.45Å; W67-E70 HydrophobicContact CZ3-CG 3.86Å; W67-G71 PolarHBondContact O-N 3.02Å; W67-G71 VanDerWaalsContact O-N 3.12Å; W67-C72 HydrophobicContact CB-CB 4.35Å; W67-C72 WeakPolarHBondContact CB-O 3.48Å; W67-C72 PolarHBondContact N-O 3Å; W67-C72 PolarHBondContact O-N 3.21Å; W67-F109 HydrophobicContact CB-CD1 4.01Å; W67-F109 HydrophobicContact CB-CE1 3.95Å; W67-F109 HydrophobicContact CE3-CB 4.16Å; W67-F109 HydrophobicContact CE3-CD1 4.16Å; W67-F109 HydrophobicContact CZ3-CB 4.42Å; W67-W112 HydrophobicContact CE3-CE3 4.33Å; W67-W112 HydrophobicContact CE3-CZ3 4.32Å; W67-W112 HydrophobicContact CZ3-CE3 4.15Å; W67-W112 HydrophobicContact CZ3-CZ3 4.13Å; W67-Y113 AromaticContact CH2-CD2 3.71Å; W67-Y113 HydrophobicContact CH2-CD2 3.71Å; W67-Y113 HydrophobicContact CH2-CE2 4.39Å; W67-Y113 HydrophobicContact CH2-CG 4.45Å; W67-Y113 HydrophobicContact CZ3-CD2 4.07Å; W67-I158 HydrophobicContact CH2-CD1 3.66Å; W67-I158 HydrophobicContact CH2-CG1 4.5Å; W67-I158 HydrophobicContact CZ2-CD1 3.86Å; W67-I158 HydrophobicContact CZ2-CG1 4.34Å; W67-L162 HydrophobicContact CZ2-CD2 3.91Å; W67-F166 AromaticContact CH2-CE2 3.93Å; W67-F166 HydrophobicContact CH2-CE2 3.93Å; W67-F166 HydrophobicContact CH2-CZ 4.03Å; W67-F166 HydrophobicContact CZ2-CE2 4.23Å; W67-F166 HydrophobicContact CZ3-CE2 4.41Å; W67-F166 HydrophobicContact CZ3-CZ 4.04Å; W67-L189 HydrophobicContact CB-CD1 3.77Å; W67-L189 HydrophobicContact CB-CG 4.46Å; W67-L189 HydrophobicContact CD2-CD1 4.37Å; W67-L189 HydrophobicContact CG-CD1 3.82Å; W67-E191 PolarHBondContact NE1-OE1 3.13Å
68G95.8Very high97.4Very high52 Ų5250.1 Ų50.154%0.53628%0.278SS..THydrogen-bonded Turntrans-65.8-48.6-168.500000113.7E70 G71G68-E70 VanDerWaalsContact C-N 3.27Å; G68-E70 PolarHBondContact O-N 2.96Å; G68-G71 PolarHBondContact O-N 3.35Å
69S95.4Very high97.4Very high74 Ų7449.2 Ų49.252%0.51727%0.273SS..THydrogen-bonded Turntrans-60.3-36.3-17869.50000113.4W67 E191W67-S69 PolarHBondContact NE1-OG 3.43Å; S69-E191 PolarHBondContact N-OE2 3.33Å; S69-E191 PolarHBondContact OG-OE1 2.94Å
70E94.3Very high97.4Very high38 Ų3846.8 Ų46.818%0.17827%0.268CS..THydrogen-bonded Turntrans-97.2-5-174.3-65.4-54.8138.300114W67 G68 C72 W112 Y117W67-E70 HydrophobicContact CD2-CB 3.82Å; W67-E70 HydrophobicContact CD2-CG 3.58Å; W67-E70 VanDerWaalsContact CE2-CG 3.41Å; W67-E70 HydrophobicContact CE3-CB 3.99Å; W67-E70 HydrophobicContact CE3-CG 3.79Å; W67-E70 HydrophobicContact CG-CB 4.12Å; W67-E70 HydrophobicContact CG-CG 4.26Å; W67-E70 HydrophobicContact CH2-CG 3.71Å; W67-E70 HydrophobicContact CZ2-CG 3.49Å; W67-E70 VanDerWaalsContact CZ2-CG 3.49Å; W67-E70 HydrophobicContact CZ3-CB 4.45Å; W67-E70 HydrophobicContact CZ3-CG 3.86Å; G68-E70 VanDerWaalsContact C-N 3.27Å; G68-E70 PolarHBondContact O-N 2.96Å; E70-C72 HydrophobicContact CB-CB 4.37Å; E70-C72 PolarHBondContact O-N 3.46Å; E70-W112 HydrophobicContact CB-CH2 3.67Å; E70-W112 HydrophobicContact CB-CZ3 3.63Å; E70-W112 HydrophobicContact CG-CH2 4.31Å; E70-W112 HydrophobicContact CG-CZ3 3.95Å; E70-Y117 VanDerWaalsContact OE2-CE2 3.27Å; E70-Y117 WeakPolarHBondContact OE2-CE2 3.38Å; E70-Y117 VanDerWaalsContact OE2-CZ 3.3Å; E70-Y117 PolarHBondContact OE2-OH 3.35Å
71G94.9Very high97.4Very high67 Ų6746.7 Ų46.769%0.69127%0.267SS*.THydrogen-bonded Turntrans61.425.5-175.100000113.7W67 G68W67-G71 PolarHBondContact O-N 3.02Å; W67-G71 VanDerWaalsContact O-N 3.12Å; G68-G71 PolarHBondContact O-N 3.35Å
72C96.5Very high97.4Very high3 Ų345.4 Ų45.42%0.0226%0.262CS..EExtended strand (participates in β ladder)trans-104127.8-175.7179.30000111W67 E70 W112W67-C72 HydrophobicContact CB-CB 4.35Å; W67-C72 WeakPolarHBondContact CB-O 3.48Å; W67-C72 PolarHBondContact N-O 3Å; W67-C72 PolarHBondContact O-N 3.21Å; E70-C72 HydrophobicContact CB-CB 4.37Å; E70-C72 PolarHBondContact O-N 3.46Å; C72-W112 HydrophobicContact CB-CD2 3.78Å; C72-W112 HydrophobicContact CB-CE3 3.88Å; C72-W112 HydrophobicContact CB-CG 4.41Å; C72-W112 HydrophobicContact CB-CH2 4.11Å; C72-W112 HydrophobicContact CB-CZ2 3.97Å; C72-W112 HydrophobicContact CB-CZ3 4.06Å
73T98.3Very high97.5Very high57 Ų5745.4 Ų45.435%0.3526%0.256SS..EExtended strand (participates in β ladder)trans-120131.4175.3-66.90000110.2N64 F65 S66N64-T73 VanDerWaalsContact CG-CG2 3.43Å; N64-T73 VanDerWaalsContact ND2-CG2 3.34Å; N64-T73 WeakPolarHBondContact ND2-CG2 3.42Å; N64-T73 WeakPolarHBondContact OD1-CG2 3.34Å; F65-T73 WeakPolarHBondContact O-CA 3.4Å; S66-T73 WeakPolarHBondContact CB-OG1 3.37Å; S66-T73 PolarHBondContact OG-OG1 3.19Å
74R98.3Very high97.5Very high101 Ų10145.2 Ų45.238%0.38125%0.254SS..EExtended strand (participates in β ladder)trans-138.7144.1-178.6-68.2-66.9177.3-11013.7111.3N64 F65 T76 P108 F109 W112N64-R74 VanDerWaalsContact OD1-C 3.26Å; N64-R74 PolarHBondContact OD1-O 3.28Å; F65-R74 PolarHBondContact N-O 2.91Å; F65-R74 PolarHBondContact O-N 3.49Å; R74-T76 HydrophobicContact CB-CG2 4.13Å; R74-T76 PolarHBondContact O-N 3.36Å; R74-P108 HydrophobicContact CB-CB 3.88Å; R74-P108 HydrophobicContact CG-CB 4.14Å; R74-F109 HydrophobicContact CB-CD1 4.33Å; R74-F109 HydrophobicContact CB-CE1 3.92Å; R74-F109 HydrophobicContact CB-CZ 4.08Å; R74-F109 HydrophobicContact CG-CD1 4.22Å; R74-F109 HydrophobicContact CG-CE1 4.2Å; R74-W112 VanDerWaalsContact NH2-CD1 3.32Å
75K98Very high97.3Very high162 Ų16244.6 Ų44.670%0.70426%0.259SS*.EExtended strand (participates in β ladder)trans-72.5118.4166.5-176.6-177.7175.8-169.80108.1A62 G63A62-K75 HydrophobicContact CB-CG 4.5Å; G63-K75 WeakPolarHBondContact O-CA 3.38Å
76T97.7Very high97.2Very high4 Ų449.9 Ų49.93%0.02530%0.296CS..EExtended strand (participates in β ladder)trans-129.8155.1179.966.80000110.8A62 G63 F65 R74 P108 F109A62-T76 VanDerWaalsContact CA-O 3.28Å; A62-T76 WeakPolarHBondContact CA-O 3.31Å; A62-T76 WeakPolarHBondContact CB-O 3.36Å; G63-T76 PolarHBondContact N-O 3.4Å; G63-T76 PolarHBondContact O-N 3.49Å; F65-T76 WeakPolarHBondContact CD2-OG1 3.33Å; R74-T76 HydrophobicContact CB-CG2 4.13Å; R74-T76 PolarHBondContact O-N 3.36Å; T76-P108 HydrophobicContact CG2-CB 3.95Å; T76-P108 HydrophobicContact CG2-CG 3.78Å; T76-F109 HydrophobicContact CG2-CD2 3.99Å; T76-F109 HydrophobicContact CG2-CE2 3.38Å; T76-F109 HydrophobicContact CG2-CZ 3.98Å
77R98.3Very high97.1Very high130 Ų13051.9 Ų51.949%0.49130%0.304SS..EExtended strand (participates in β ladder)trans-78.1135.6178.3-172.917758.3940.7109.7D61 V104 D105D61-R77 CarbonylContact O-C 3.57Å; D61-R77 WeakPolarHBondContact O-CA 3.45Å; D61-R77 VanDerWaalsContact O-CG 3.29Å; D61-R77 WeakPolarHBondContact O-CG 3.27Å; R77-V104 WeakPolarHBondContact O-CA 3.24Å; R77-D105 HydrophobicContact CB-CB 4.38Å; R77-D105 PolarHBondContact O-N 3.04Å
78I98.4Very high97Very high2 Ų256.3 Ų56.31%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-85122.3171.8-57.9170.4000107.5I38 D61 F65 L96 V102 A185I38-I78 HydrophobicContact CD1-CG2 3.98Å; I38-I78 HydrophobicContact CG1-CG2 4.26Å; D61-I78 PolarHBondContact O-N 2.95Å; F65-I78 HydrophobicContact CE2-CD1 4.26Å; F65-I78 HydrophobicContact CE2-CG1 3.83Å; F65-I78 HydrophobicContact CZ-CD1 4.09Å; F65-I78 HydrophobicContact CZ-CG1 3.9Å; I78-L96 HydrophobicContact CD1-CD1 4.17Å; I78-L96 HydrophobicContact CG2-CD2 4.18Å; I78-V102 HydrophobicContact CG2-CB 4.17Å; I78-V102 HydrophobicContact CG2-CG1 4.32Å; I78-A185 HydrophobicContact CD1-CB 3.59Å
79I97.8Very high97Very high38 Ų3858 Ų5820%0.19532%0.321CS..EExtended strand (participates in β ladder)trans-95.7-51.6-174.3-57.9171.9000110L103 D105 K170I79-L103 HydrophobicContact CB-CB 4.26Å; I79-L103 WeakPolarHBondContact CB-O 3.17Å; I79-L103 PolarHBondContact N-O 3.13Å; I79-D105 HydrophobicContact CD1-CB 4.48Å; I79-K170 HydrophobicContact CD1-CB 4.41Å; I79-K170 HydrophobicContact CD1-CD 3.94Å; I79-K170 HydrophobicContact CD1-CG 3.72Å
80D98.1Very high97.1Very high45 Ų4556.3 Ų56.324%0.24131%0.307CS..EExtended strand (participates in β ladder)trans-154162.1-175.7-154.717.9000112.8K94 V102 L103D80-K94 VanDerWaalsContact OD1-CD 3.29Å; D80-K94 WeakPolarHBondContact OD1-CD 3.16Å; D80-K94 WeakPolarHBondContact OD1-CE 3.46Å; D80-K94 IonicContact OD1-NZ 3.48Å; D80-K94 PolarHBondContact OD1-NZ 3.46Å; D80-V102 CarbonylContact O-C 3.5Å; D80-V102 WeakPolarHBondContact O-CA 3.47Å; D80-V102 WeakPolarHBondContact O-CB 3.42Å; D80-L103 HydrophobicContact CB-CD1 4.42Å; D80-L103 PolarHBondContact O-N 2.88Å
81V98.1Very high97.3Very high3 Ų356.2 Ų56.22%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-101.9119.6169.8-174.50000108.2I38 V91 K94 L96 C100 V102I38-V81 HydrophobicContact CD1-CG2 4.05Å; V81-V91 WeakPolarHBondContact O-CG1 3.47Å; V81-K94 HydrophobicContact CG2-CB 4.36Å; V81-L96 HydrophobicContact CG2-CD2 3.64Å; V81-C100 HydrophobicContact CG1-CB 4.31Å; V81-V102 HydrophobicContact CG2-CG1 4.16Å
82V97.7Very high97.4Very high38 Ų3862 Ų6223%0.2331%0.309CS..EExtended strand (participates in β ladder)trans-106.2-28.5-174-66.50000113.5I101 L103 L172 I202V82-I101 HydrophobicContact CG2-CB 4.09Å; V82-I101 HydrophobicContact CG2-CG2 3.75Å; V82-I101 WeakPolarHBondContact CG2-O 3.29Å; V82-I101 PolarHBondContact N-O 3.16Å; V82-L103 HydrophobicContact CG1-CD1 3.57Å; V82-L103 HydrophobicContact CG1-CG 3.62Å; V82-L172 HydrophobicContact CG2-CD2 3.61Å; V82-I202 HydrophobicContact CB-CD1 4.42Å; V82-I202 HydrophobicContact CG2-CD1 3.94Å
83Y98.1Very high97.4Very high25 Ų2564.8 Ų64.810%0.09833%0.326CS..EExtended strand (participates in β ladder)trans-149.7141.5-179.2-177.2-89.3000111.8A85 I101 Y198 K201 I202 K205Y83-A85 HydrophobicContact CE1-CB 4.05Å; Y83-I101 HydrophobicContact CD1-CG1 4.03Å; Y83-I101 PolarHBondContact N-O 3.02Å; Y83-I101 PolarHBondContact O-N 3.42Å; Y83-Y198 AromaticContact CD1-CD1 3.89Å; Y83-Y198 HydrophobicContact CD1-CD1 3.89Å; Y83-Y198 AromaticContact CD1-CE1 3.95Å; Y83-Y198 HydrophobicContact CD1-CE1 3.95Å; Y83-Y198 AromaticContact CE1-CD1 3.98Å; Y83-Y198 HydrophobicContact CE1-CD1 3.98Å; Y83-Y198 AromaticContact CE1-CE1 3.8Å; Y83-Y198 HydrophobicContact CE1-CE1 3.8Å; Y83-K201 HydrophobicContact CD2-CB 4.43Å; Y83-K201 HydrophobicContact CE2-CB 3.82Å; Y83-I202 HydrophobicContact CD2-CG1 4.27Å; Y83-I202 HydrophobicContact CG-CG1 4.44Å; Y83-K205 HydrophobicContact CD2-CD 3.99Å; Y83-K205 HydrophobicContact CE2-CD 3.86Å; Y83-K205 VanDerWaalsContact CE2-CE 3.46Å
84N97.9Very high97.4Very high2 Ų266.6 Ų66.61%0.01133%0.329CS..  trans-134.1130.1171-166.4-55.1000108.4S86 N87 L90 V91 V97 K205N84-S86 PolarHBondContact OD1-N 2.84Å; N84-N87 WeakPolarHBondContact CB-O 3.48Å; N84-N87 PolarHBondContact OD1-N 2.96Å; N84-L90 HydrophobicContact CB-CB 4.44Å; N84-V91 HydrophobicContact CB-CG2 3.62Å; N84-V97 WeakPolarHBondContact ND2-CG2 3.47Å; N84-K205 PolarHBondContact O-NZ 3.09Å
85A95.5Very high97.4Very high60 Ų6062 Ų6250%0.49631%0.312SS..SBendtrans-75.4-28.8-179.300000112.6Y83Y83-A85 HydrophobicContact CE1-CB 4.05Å
86S96.3Very high97.4Very high111 Ų11154.4 Ų54.478%0.77628%0.279SS*.SBendtrans-89.5-40.6-171.1-51.80000113.2N84N84-S86 PolarHBondContact OD1-N 2.84Å
87N96.7Very high97.4Very high77 Ų7756.3 Ų56.341%0.41229%0.291SS..  trans-154.8127-178-174.5-10.7000111.5N84 E89 L90N84-N87 WeakPolarHBondContact CB-O 3.48Å; N84-N87 PolarHBondContact OD1-N 2.96Å; N87-E89 VanDerWaalsContact C-N 3.3Å; N87-E89 PolarHBondContact O-N 3.47Å; N87-E89 WeakPolarHBondContact OD1-CB 3.18Å; N87-E89 PolarHBondContact OD1-N 3.14Å; N87-L90 HydrophobicContact CB-CD1 4.06Å; N87-L90 HydrophobicContact CB-CG 4.06Å; N87-L90 WeakPolarHBondContact O-CB 3.38Å; N87-L90 PolarHBondContact O-N 2.85Å
88N95.1Very high97.5Very high94 Ų9455.3 Ų55.350%0.50329%0.29SS..THydrogen-bonded Turntrans-64.9-30.9179.1-67.8-17.9000113.1L90 V91 R92 K205N88-L90 PolarHBondContact O-N 3.3Å; N88-V91 WeakPolarHBondContact O-CB 3.24Å; N88-V91 PolarHBondContact O-N 2.99Å; N88-R92 PolarHBondContact O-N 3.45Å; N88-K205 WeakPolarHBondContact OD1-CE 3.49Å; N88-K205 PolarHBondContact OD1-NZ 3.02Å
89E96.9Very high97.4Very high86 Ų8658.3 Ų58.340%0.40231%0.306SS..Hα-helixtrans-62.3-26.3178.5-68.2-56.6141.500113N87 V91 R92 T93N87-E89 VanDerWaalsContact C-N 3.3Å; N87-E89 PolarHBondContact O-N 3.47Å; N87-E89 WeakPolarHBondContact OD1-CB 3.18Å; N87-E89 PolarHBondContact OD1-N 3.14Å; E89-V91 VanDerWaalsContact C-N 3.27Å; E89-V91 PolarHBondContact O-N 2.98Å; E89-R92 PolarHBondContact O-N 3.31Å; E89-R92 IonicContact OE1-NH2 2.88Å; E89-R92 IonicContact OE2-CZ 2.65Å; E89-R92 IonicContact OE2-NE 3.02Å; E89-R92 PolarHBondContact OE2-NE 3.48Å; E89-R92 IonicContact OE2-NH2 3.83Å; E89-R92 PolarHBondContact OE2-NH2 2.89Å; E89-T93 WeakPolarHBondContact O-CG2 3.33Å; E89-T93 PolarHBondContact O-N 3.37Å; E89-T93 PolarHBondContact O-OG1 2.89Å
90L97.3Very high97.4Very high40 Ų4056.5 Ų56.521%0.20930%0.297CS..Hα-helixtrans-71.6-24.7176.7-60.9179.3000112.3N84 N87 N88 K94 T95 V97N84-L90 HydrophobicContact CB-CB 4.44Å; N87-L90 HydrophobicContact CB-CD1 4.06Å; N87-L90 HydrophobicContact CB-CG 4.06Å; N87-L90 WeakPolarHBondContact O-CB 3.38Å; N87-L90 PolarHBondContact O-N 2.85Å; N88-L90 PolarHBondContact O-N 3.3Å; L90-K94 PolarHBondContact O-N 3.45Å; L90-T95 HydrophobicContact CD2-CG2 4.19Å; L90-T95 PolarHBondContact O-N 3.47Å; L90-V97 HydrophobicContact CD1-CG1 4.49Å; L90-V97 HydrophobicContact CD1-CG2 4.43Å
91V97.4Very high97.4Very high35 Ų3554.4 Ų54.421%0.21229%0.286CS..Hα-helixtrans-72.6-52.5172.4-176.50000109.3V81 N84 N88 E89 T93 K94V81-V91 WeakPolarHBondContact O-CG1 3.47Å; N84-V91 HydrophobicContact CB-CG2 3.62Å; N88-V91 WeakPolarHBondContact O-CB 3.24Å; N88-V91 PolarHBondContact O-N 2.99Å; E89-V91 VanDerWaalsContact C-N 3.27Å; E89-V91 PolarHBondContact O-N 2.98Å; V91-T93 PolarHBondContact O-N 3.4Å; V91-K94 PolarHBondContact O-N 3.06Å
92R96.8Very high97.5Very high189 Ų18954.2 Ų54.271%0.71329%0.285SS*.Hα-helixtrans-53.7-43179.2-174.5173.969.11632.4112.3N88 E89 K94N88-R92 PolarHBondContact O-N 3.45Å; E89-R92 PolarHBondContact O-N 3.31Å; E89-R92 IonicContact OE1-NH2 2.88Å; E89-R92 IonicContact OE2-CZ 2.65Å; E89-R92 IonicContact OE2-NE 3.02Å; E89-R92 PolarHBondContact OE2-NE 3.48Å; E89-R92 IonicContact OE2-NH2 3.83Å; E89-R92 PolarHBondContact OE2-NH2 2.89Å; R92-K94 VanDerWaalsContact C-N 3.32Å
93T97.3Very high97.5Very high61 Ų6154.1 Ų54.137%0.37428%0.283SS..THydrogen-bonded Turntrans-88.14.2-178.663.60000113.9K37 E89 V91 T95K37-T93 WeakPolarHBondContact CD-O 3.25Å; K37-T93 VanDerWaalsContact NZ-CB 3.27Å; K37-T93 PolarHBondContact NZ-O 3.3Å; K37-T93 PolarHBondContact NZ-OG1 3.06Å; E89-T93 WeakPolarHBondContact O-CG2 3.33Å; E89-T93 PolarHBondContact O-N 3.37Å; E89-T93 PolarHBondContact O-OG1 2.89Å; V91-T93 PolarHBondContact O-N 3.4Å; T93-T95 VanDerWaalsContact C-N 3.35Å; T93-T95 PolarHBondContact O-N 2.99Å; T93-T95 PolarHBondContact OG1-OG1 2.98Å
94K97.9Very high97.5Very high96 Ų9652.9 Ų52.942%0.41728%0.278SS..THydrogen-bonded Turntrans51.947.4-179.4-55.8-174.2179-158.40113.6I38 D80 V81 L90 V91 R92I38-K94 HydrophobicContact CD1-CB 4.43Å; D80-K94 VanDerWaalsContact OD1-CD 3.29Å; D80-K94 WeakPolarHBondContact OD1-CD 3.16Å; D80-K94 WeakPolarHBondContact OD1-CE 3.46Å; D80-K94 IonicContact OD1-NZ 3.48Å; D80-K94 PolarHBondContact OD1-NZ 3.46Å; V81-K94 HydrophobicContact CG2-CB 4.36Å; L90-K94 PolarHBondContact O-N 3.45Å; V91-K94 PolarHBondContact O-N 3.06Å; R92-K94 VanDerWaalsContact C-N 3.32Å
95T98.4Very high97.5Very high3 Ų354.7 Ų54.72%0.01829%0.287CS..BIsolated β-bridgetrans-89123.7-179.4-50.40000111.3T36 K37 L90 T93 V97T36-T95 CarbonylContact O-C 3.56Å; T36-T95 WeakPolarHBondContact O-CA 3.29Å; K37-T95 PolarHBondContact NZ-OG1 2.97Å; L90-T95 HydrophobicContact CD2-CG2 4.19Å; L90-T95 PolarHBondContact O-N 3.47Å; T93-T95 VanDerWaalsContact C-N 3.35Å; T93-T95 PolarHBondContact O-N 2.99Å; T93-T95 PolarHBondContact OG1-OG1 2.98Å; T95-V97 HydrophobicContact CG2-CG1 4.16Å
96L98.3Very high97.6Very high3 Ų352 Ų522%0.01627%0.265CS..  trans-83.1116.5177.1-56.6177.4000110.5T36 I38 L60 I78 V81 V102 I175 P179T36-L96 HydrophobicContact CG2-CB 4.37Å; T36-L96 HydrophobicContact CG2-CD1 4.34Å; T36-L96 PolarHBondContact O-N 2.99Å; I38-L96 HydrophobicContact CD1-CD2 4.45Å; I38-L96 HydrophobicContact CG1-CD1 4.26Å; I38-L96 HydrophobicContact CG1-CD2 4.05Å; I38-L96 HydrophobicContact CG1-CG 4.25Å; L60-L96 HydrophobicContact CB-CD1 4.13Å; I78-L96 HydrophobicContact CD1-CD1 4.17Å; I78-L96 HydrophobicContact CG2-CD2 4.18Å; V81-L96 HydrophobicContact CG2-CD2 3.64Å; L96-V102 HydrophobicContact CD2-CG1 4.04Å; L96-I175 HydrophobicContact CB-CD1 4.33Å; L96-I175 HydrophobicContact CD2-CD1 3.97Å; L96-P179 HydrophobicContact CB-CG 4.36Å
97V98.4Very high97.5Very high44 Ų4449.9 Ų49.927%0.26725%0.245SC..  trans-134.1166.1176.1-63.10000110.1N84 L90 T95 N99 C100N84-V97 WeakPolarHBondContact ND2-CG2 3.47Å; L90-V97 HydrophobicContact CD1-CG1 4.49Å; L90-V97 HydrophobicContact CD1-CG2 4.43Å; T95-V97 HydrophobicContact CG2-CG1 4.16Å; V97-N99 PolarHBondContact O-N 3.17Å; V97-C100 HydrophobicContact CG2-CB 4.05Å; V97-C100 PolarHBondContact O-N 3.19Å; V97-C100 PolarHBondContact O-SG 2.7Å
98K98.4Very high97.5Very high110 Ų11047.5 Ų47.548%0.47823%0.234SC..THydrogen-bonded Turntrans-58.2138.4172.7-175.2175.4178.2177.80109.4C100 A176 S177 R178K98-C100 PolarHBondContact O-N 3.24Å; K98-A176 VanDerWaalsContact CE-O 3.23Å; K98-A176 WeakPolarHBondContact CE-O 3.46Å; K98-S177 WeakPolarHBondContact CA-O 3.43Å; K98-S177 VanDerWaalsContact CB-O 3.27Å; K98-S177 WeakPolarHBondContact CB-O 3.27Å; K98-R178 HydrophobicContact CB-CG 4.01Å; K98-R178 HydrophobicContact CD-CG 4Å; K98-R178 HydrophobicContact CG-CG 4.48Å
99N98Very high97.6Very high65 Ų6543 Ų4335%0.34821%0.21SC..THydrogen-bonded Turntrans67.115.8177.2-148.257000115V97 C174 I175V97-N99 PolarHBondContact O-N 3.17Å; N99-C174 PolarHBondContact OD1-SG 3.13Å; N99-I175 WeakPolarHBondContact CA-O 3.43Å; N99-I175 PolarHBondContact N-O 3.36Å
100C97.6Very high97.5Very high0 Ų041 Ų410%020%0.198CC..  trans-76.9144.1167.169.30000110.1V81 V97 K98 I175V81-C100 HydrophobicContact CG1-CB 4.31Å; V97-C100 HydrophobicContact CG2-CB 4.05Å; V97-C100 PolarHBondContact O-N 3.19Å; V97-C100 PolarHBondContact O-SG 2.7Å; K98-C100 PolarHBondContact O-N 3.24Å; C100-I175 PolarHBondContact O-N 3.28Å; C100-I175 VanDerWaalsContact O-N 3.12Å
101I98.5Very high97.3Very high0 Ų044.3 Ų44.30%021%0.213CC..EExtended strand (participates in β ladder)trans-90.7126174.6-49-50.1000108.2V82 Y83 L172 A173 C174 L190 Y198V82-I101 HydrophobicContact CG2-CB 4.09Å; V82-I101 HydrophobicContact CG2-CG2 3.75Å; V82-I101 WeakPolarHBondContact CG2-O 3.29Å; V82-I101 PolarHBondContact N-O 3.16Å; Y83-I101 HydrophobicContact CD1-CG1 4.03Å; Y83-I101 PolarHBondContact N-O 3.02Å; Y83-I101 PolarHBondContact O-N 3.42Å; I101-L172 HydrophobicContact CG2-CB 4.46Å; I101-L172 HydrophobicContact CG2-CD2 3.9Å; I101-A173 CarbonylContact C-O 3.49Å; I101-A173 WeakPolarHBondContact CA-O 3.41Å; I101-C174 HydrophobicContact CD1-CB 3.89Å; I101-L190 HydrophobicContact CD1-CD1 4.07Å; I101-L190 HydrophobicContact CD1-CD2 4.43Å; I101-L190 HydrophobicContact CG1-CD1 4.48Å; I101-L190 HydrophobicContact CG2-CD1 3.81Å; I101-Y198 HydrophobicContact CD1-CD1 4.18Å; I101-Y198 HydrophobicContact CD1-CD2 4.16Å; I101-Y198 HydrophobicContact CD1-CE1 4Å; I101-Y198 HydrophobicContact CD1-CE2 3.96Å; I101-Y198 HydrophobicContact CD1-CG 4.26Å; I101-Y198 HydrophobicContact CG1-CD1 3.74Å; I101-Y198 HydrophobicContact CG1-CD2 4.46Å; I101-Y198 HydrophobicContact CG1-CE1 3.88Å; I101-Y198 HydrophobicContact CG1-CG 4.06Å
102V98.5Very high97.2Very high0 Ų044.8 Ų44.80%021%0.211CC..EExtended strand (participates in β ladder)trans-123.8154.3-175.9-64.10000110.5F65 I78 D80 V81 L96 V104 A173 I175F65-V102 HydrophobicContact CE1-CG2 4.16Å; F65-V102 HydrophobicContact CZ-CG2 4.17Å; I78-V102 HydrophobicContact CG2-CB 4.17Å; I78-V102 HydrophobicContact CG2-CG1 4.32Å; D80-V102 CarbonylContact O-C 3.5Å; D80-V102 WeakPolarHBondContact O-CA 3.47Å; D80-V102 WeakPolarHBondContact O-CB 3.42Å; V81-V102 HydrophobicContact CG2-CG1 4.16Å; L96-V102 HydrophobicContact CD2-CG1 4.04Å; V102-V104 HydrophobicContact CG2-CG1 3.95Å; V102-A173 HydrophobicContact CG2-CB 4.15Å; V102-A173 WeakPolarHBondContact CG2-O 3.39Å; V102-A173 PolarHBondContact N-O 2.97Å; V102-A173 PolarHBondContact O-N 3.34Å; V102-I175 HydrophobicContact CG1-CD1 3.96Å; V102-I175 HydrophobicContact CG1-CG1 4.23Å; V102-I175 HydrophobicContact CG2-CD1 4.43Å; V102-I175 HydrophobicContact CG2-CG1 4.05Å
103L98.5Very high97.1Very high35 Ų3536.4 Ų36.418%0.18318%0.179CC..EExtended strand (participates in β ladder)trans-89.2128.8165.1-72.6169.8000108.9I79 D80 V82 K170 L171 L172I79-L103 HydrophobicContact CB-CB 4.26Å; I79-L103 WeakPolarHBondContact CB-O 3.17Å; I79-L103 PolarHBondContact N-O 3.13Å; D80-L103 HydrophobicContact CB-CD1 4.42Å; D80-L103 PolarHBondContact O-N 2.88Å; V82-L103 HydrophobicContact CG1-CD1 3.57Å; V82-L103 HydrophobicContact CG1-CG 3.62Å; L103-K170 HydrophobicContact CD1-CD 4.48Å; L103-K170 HydrophobicContact CD2-CB 4.19Å; L103-L171 WeakPolarHBondContact CA-O 3.45Å; L103-L172 HydrophobicContact CD2-CD2 3.59Å; L103-L172 HydrophobicContact CD2-CG 4.14Å; L103-L172 HydrophobicContact CG-CD2 4.25Å
104V98.4Very high96.9Very high0 Ų034 Ų340%016%0.164CC..EExtended strand (participates in β ladder)trans-120.3155.6175.7-60.30000110.8F65 R77 V102 S106 K170 L171 A173 L189F65-V104 HydrophobicContact CD1-CG1 4.31Å; F65-V104 HydrophobicContact CD2-CG1 3.97Å; F65-V104 HydrophobicContact CE1-CG1 4.01Å; F65-V104 HydrophobicContact CE2-CG1 3.63Å; F65-V104 HydrophobicContact CG-CG1 4.29Å; F65-V104 HydrophobicContact CZ-CG1 3.66Å; R77-V104 WeakPolarHBondContact O-CA 3.24Å; V102-V104 HydrophobicContact CG2-CG1 3.95Å; V104-S106 PolarHBondContact O-N 3.37Å; V104-K170 CarbonylContact O-C 3.59Å; V104-K170 WeakPolarHBondContact O-CA 3.46Å; V104-L171 HydrophobicContact CG2-CB 3.98Å; V104-L171 PolarHBondContact N-O 2.95Å; V104-L171 PolarHBondContact O-N 3.29Å; V104-A173 HydrophobicContact CG1-CB 3.95Å; V104-A173 HydrophobicContact CG2-CB 3.93Å; V104-L189 HydrophobicContact CG2-CD2 3.83Å
105D97.8Very high96.5Very high39 Ų3931.8 Ų31.821%0.20916%0.163CC..EExtended strand (participates in β ladder)trans-63.7131.1175-161.5-27.5000111.3R77 I79 L107R77-D105 HydrophobicContact CB-CB 4.38Å; R77-D105 PolarHBondContact O-N 3.04Å; I79-D105 HydrophobicContact CD1-CB 4.48Å; D105-L107 WeakPolarHBondContact OD1-CB 3.42Å; D105-L107 PolarHBondContact OD1-N 3.31Å
106S97.1Very high96.3Very high4 Ų434 Ų343%0.02817%0.173CC..  trans-86.4-17179.973.80000113.5V104 F109 R110 G169V104-S106 PolarHBondContact O-N 3.37Å; S106-F109 PolarHBondContact O-N 3.24Å; S106-F109 VanDerWaalsContact O-N 3.12Å; S106-R110 PolarHBondContact O-N 3.03Å; S106-G169 PolarHBondContact N-O 2.82Å; S106-G169 VanDerWaalsContact OG-CA 3.24Å; S106-G169 WeakPolarHBondContact OG-CA 3.27Å; S106-G169 PolarHBondContact OG-O 2.55Å
107L94.9Very high96Very high66 Ų6634.6 Ų34.635%0.34618%0.175SC..Hα-helixtrans-55.4-45.6-171.2179.367.3000113.5D105 F109 R110 Q111D105-L107 WeakPolarHBondContact OD1-CB 3.42Å; D105-L107 PolarHBondContact OD1-N 3.31Å; L107-F109 VanDerWaalsContact C-N 3.26Å; L107-F109 PolarHBondContact O-N 3.16Å; L107-R110 PolarHBondContact O-N 3.17Å; L107-Q111 HydrophobicContact CD1-CG 4.09Å; L107-Q111 HydrophobicContact CG-CG 4.36Å; L107-Q111 WeakPolarHBondContact O-CG 3.43Å; L107-Q111 PolarHBondContact O-N 3.13Å
108P96.7Very high95.7Very high28 Ų2832.9 Ų32.918%0.18217%0.166CC..Hα-helixtrans-64.4-29.6-178.9-26.840.1000113.9R74 T76 W112R74-P108 HydrophobicContact CB-CB 3.88Å; R74-P108 HydrophobicContact CG-CB 4.14Å; T76-P108 HydrophobicContact CG2-CB 3.95Å; T76-P108 HydrophobicContact CG2-CG 3.78Å; P108-W112 PolarHBondContact O-N 3.18Å
109F97.1Very high95.2Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-79.4-38.9176-62.5-74000111.5F65 W67 R74 T76 S106 L107 W112 Y113 F166 L171 L189F65-F109 HydrophobicContact CB-CZ 4.03Å; F65-F109 WeakPolarHBondContact O-CZ 3.45Å; W67-F109 HydrophobicContact CB-CD1 4.01Å; W67-F109 HydrophobicContact CB-CE1 3.95Å; W67-F109 HydrophobicContact CE3-CB 4.16Å; W67-F109 HydrophobicContact CE3-CD1 4.16Å; W67-F109 HydrophobicContact CZ3-CB 4.42Å; R74-F109 HydrophobicContact CB-CD1 4.33Å; R74-F109 HydrophobicContact CB-CE1 3.92Å; R74-F109 HydrophobicContact CB-CZ 4.08Å; R74-F109 HydrophobicContact CG-CD1 4.22Å; R74-F109 HydrophobicContact CG-CE1 4.2Å; T76-F109 HydrophobicContact CG2-CD2 3.99Å; T76-F109 HydrophobicContact CG2-CE2 3.38Å; T76-F109 HydrophobicContact CG2-CZ 3.98Å; S106-F109 PolarHBondContact O-N 3.24Å; S106-F109 VanDerWaalsContact O-N 3.12Å; L107-F109 VanDerWaalsContact C-N 3.26Å; L107-F109 PolarHBondContact O-N 3.16Å; F109-W112 PolarHBondContact O-N 2.65Å; F109-Y113 WeakPolarHBondContact O-CB 3.35Å; F109-Y113 PolarHBondContact O-N 3.15Å; F109-F166 HydrophobicContact CB-CE1 3.97Å; F109-F166 HydrophobicContact CB-CZ 3.94Å; F109-L171 HydrophobicContact CB-CD1 4.39Å; F109-L171 HydrophobicContact CD2-CD1 3.71Å; F109-L171 HydrophobicContact CE2-CD1 4.37Å; F109-L171 HydrophobicContact CG-CD1 4.33Å; F109-L189 HydrophobicContact CD1-CD1 4.32Å; F109-L189 HydrophobicContact CD2-CD1 4.15Å; F109-L189 HydrophobicContact CE1-CD1 4.24Å; F109-L189 HydrophobicContact CE2-CD1 4.04Å; F109-L189 HydrophobicContact CE2-CD2 3.99Å; F109-L189 HydrophobicContact CE2-CG 4.34Å; F109-L189 HydrophobicContact CG-CD1 4.27Å; F109-L189 HydrophobicContact CZ-CD1 4.1Å; F109-L189 HydrophobicContact CZ-CD2 4.28Å; F109-L189 HydrophobicContact CZ-CG 4.26Å
110R94.3Very high94.7Very high43 Ų4330 Ų3016%0.16216%0.161CC..Hα-helixtrans-59.9-48.7174.5-171.1-174.773151.212.4111.3S106 L107 W112 Y113 E114 L121 E133 F166S106-R110 PolarHBondContact O-N 3.03Å; L107-R110 PolarHBondContact O-N 3.17Å; R110-W112 VanDerWaalsContact C-N 3.3Å; R110-W112 PolarHBondContact O-N 3.19Å; R110-Y113 PolarHBondContact O-N 3.04Å; R110-Y113 VanDerWaalsContact O-N 3.15Å; R110-E114 HydrophobicContact CG-CG 4.47Å; R110-E114 WeakPolarHBondContact O-CG 3.33Å; R110-E114 PolarHBondContact O-N 3.18Å; R110-L121 VanDerWaalsContact CD-O 3.25Å; R110-L121 WeakPolarHBondContact CD-O 3.33Å; R110-L121 HydrophobicContact CG-CB 4.37Å; R110-E133 IonicContact CZ-OE1 3.33Å; R110-E133 IonicContact NH2-OE1 3.18Å; R110-E133 PolarHBondContact NH2-OE1 3.47Å; R110-F166 HydrophobicContact CB-CD1 4.22Å; R110-F166 HydrophobicContact CB-CE1 4.12Å
111Q93.1Very high94.3Very high110 Ų11030.5 Ų30.551%0.51416%0.164SC..Hα-helixtrans-58.5-42.2176.6-74.3176-20.300112.1L107 A115L107-Q111 HydrophobicContact CD1-CG 4.09Å; L107-Q111 HydrophobicContact CG-CG 4.36Å; L107-Q111 WeakPolarHBondContact O-CG 3.43Å; L107-Q111 PolarHBondContact O-N 3.13Å; Q111-A115 VanDerWaalsContact O-CB 3.29Å; Q111-A115 WeakPolarHBondContact O-CB 3.41Å; Q111-A115 PolarHBondContact O-N 3.07Å
112W95.4Very high93.5Very high44 Ų4431.4 Ų31.417%0.16717%0.173CC..Hα-helixtrans-64.6-43.7175.7175.883.9000111.9W67 E70 C72 R74 P108 F109 R110 A115 H116 Y117W67-W112 HydrophobicContact CE3-CE3 4.33Å; W67-W112 HydrophobicContact CE3-CZ3 4.32Å; W67-W112 HydrophobicContact CZ3-CE3 4.15Å; W67-W112 HydrophobicContact CZ3-CZ3 4.13Å; E70-W112 HydrophobicContact CB-CH2 3.67Å; E70-W112 HydrophobicContact CB-CZ3 3.63Å; E70-W112 HydrophobicContact CG-CH2 4.31Å; E70-W112 HydrophobicContact CG-CZ3 3.95Å; C72-W112 HydrophobicContact CB-CD2 3.78Å; C72-W112 HydrophobicContact CB-CE3 3.88Å; C72-W112 HydrophobicContact CB-CG 4.41Å; C72-W112 HydrophobicContact CB-CH2 4.11Å; C72-W112 HydrophobicContact CB-CZ2 3.97Å; C72-W112 HydrophobicContact CB-CZ3 4.06Å; R74-W112 VanDerWaalsContact NH2-CD1 3.32Å; P108-W112 PolarHBondContact O-N 3.18Å; F109-W112 PolarHBondContact O-N 2.65Å; R110-W112 VanDerWaalsContact C-N 3.3Å; R110-W112 PolarHBondContact O-N 3.19Å; W112-A115 PolarHBondContact O-N 3.02Å; W112-H116 HydrophobicContact CD2-CB 4.43Å; W112-H116 HydrophobicContact CH2-CB 4.29Å; W112-H116 HydrophobicContact CZ2-CB 4.16Å; W112-H116 AromaticContact CZ2-CG 3.89Å; W112-H116 AromaticContact CZ2-ND1 3.78Å; W112-H116 VanDerWaalsContact O-CB 3.24Å; W112-H116 WeakPolarHBondContact O-CB 3.35Å; W112-H116 PolarHBondContact O-N 2.87Å; W112-Y117 HydrophobicContact CH2-CE2 4.37Å; W112-Y117 HydrophobicContact CZ3-CE2 4.25Å
113Y94.9Very high92.8Very high14 Ų1433.8 Ų33.86%0.05518%0.182CC..Hα-helixtrans-64.1-47.4-179.4-177.1-86.7000111.6W67 F109 R110 A115 H116 Y117 T119 L121 A156 I158W67-Y113 AromaticContact CH2-CD2 3.71Å; W67-Y113 HydrophobicContact CH2-CD2 3.71Å; W67-Y113 HydrophobicContact CH2-CE2 4.39Å; W67-Y113 HydrophobicContact CH2-CG 4.45Å; W67-Y113 HydrophobicContact CZ3-CD2 4.07Å; F109-Y113 WeakPolarHBondContact O-CB 3.35Å; F109-Y113 PolarHBondContact O-N 3.15Å; R110-Y113 PolarHBondContact O-N 3.04Å; R110-Y113 VanDerWaalsContact O-N 3.15Å; Y113-A115 VanDerWaalsContact C-N 3.29Å; Y113-A115 PolarHBondContact O-N 3.25Å; Y113-H116 PolarHBondContact O-N 3Å; Y113-H116 VanDerWaalsContact O-N 3.13Å; Y113-Y117 HydrophobicContact CD1-CD2 4.35Å; Y113-Y117 AromaticContact CD2-CD2 3.36Å; Y113-Y117 HydrophobicContact CD2-CD2 3.36Å; Y113-Y117 AromaticContact CD2-CE2 3.64Å; Y113-Y117 HydrophobicContact CD2-CE2 3.64Å; Y113-Y117 HydrophobicContact CD2-CG 4.48Å; Y113-Y117 HydrophobicContact CE1-CD2 4.33Å; Y113-Y117 AromaticContact CE2-CD2 3.29Å; Y113-Y117 HydrophobicContact CE2-CD2 3.29Å; Y113-Y117 AromaticContact CE2-CE2 3.55Å; Y113-Y117 HydrophobicContact CE2-CE2 3.55Å; Y113-Y117 HydrophobicContact CE2-CG 4.13Å; Y113-Y117 AromaticContact CG-CD2 3.91Å; Y113-Y117 HydrophobicContact CG-CD2 3.91Å; Y113-Y117 AromaticContact CZ-CD2 3.84Å; Y113-Y117 PolarHBondContact O-N 3.21Å; Y113-T119 WeakPolarHBondContact CE1-OG1 3.19Å; Y113-L121 HydrophobicContact CD1-CB 3.64Å; Y113-L121 HydrophobicContact CD1-CD2 3.63Å; Y113-L121 HydrophobicContact CD1-CG 4.2Å; Y113-L121 HydrophobicContact CD2-CD2 4.16Å; Y113-L121 HydrophobicContact CE1-CB 3.87Å; Y113-L121 HydrophobicContact CE1-CD1 4.46Å; Y113-L121 HydrophobicContact CE1-CD2 4.07Å; Y113-L121 HydrophobicContact CE1-CG 4.36Å; Y113-L121 HydrophobicContact CG-CB 4.48Å; Y113-L121 HydrophobicContact CG-CD2 3.66Å; Y113-A156 PolarHBondContact OH-O 3.38Å; Y113-I158 HydrophobicContact CD2-CD1 3.94Å; Y113-I158 HydrophobicContact CE2-CD1 3.5Å; Y113-I158 VanDerWaalsContact CE2-CD1 3.5Å; Y113-I158 HydrophobicContact CE2-CG1 3.9Å
114E92.1Very high91.9Very high10 Ų1040.4 Ų40.45%0.04721%0.209CC..Hα-helixtrans-60.6-39.3176.7-70.7178.2154.800111.1R110 A118 T119 R123 L137R110-E114 HydrophobicContact CG-CG 4.47Å; R110-E114 WeakPolarHBondContact O-CG 3.33Å; R110-E114 PolarHBondContact O-N 3.18Å; E114-A118 WeakPolarHBondContact O-CA 3.24Å; E114-A118 PolarHBondContact O-N 3.23Å; E114-T119 WeakPolarHBondContact CG-O 3.17Å; E114-R123 IonicContact OE1-CZ 3.36Å; E114-R123 IonicContact OE1-NE 2.99Å; E114-R123 PolarHBondContact OE1-NE 2.91Å; E114-R123 IonicContact OE1-NH2 2.84Å; E114-R123 PolarHBondContact OE1-NH2 3.12Å; E114-R123 IonicContact OE2-NH2 3.3Å; E114-R123 PolarHBondContact OE2-NH2 2.98Å; E114-L137 HydrophobicContact CB-CD2 4.31Å
115A91.3Very high90.8Very high49 Ų4950.3 Ų50.341%0.40525%0.252SS..Hα-helixtrans-70.9-33.8174.900000113.5Q111 W112 Y113 Y149Q111-A115 VanDerWaalsContact O-CB 3.29Å; Q111-A115 WeakPolarHBondContact O-CB 3.41Å; Q111-A115 PolarHBondContact O-N 3.07Å; W112-A115 PolarHBondContact O-N 3.02Å; Y113-A115 VanDerWaalsContact C-N 3.29Å; Y113-A115 PolarHBondContact O-N 3.25Å; A115-Y149 PolarHBondContact O-OH 2.85Å
116H93.1Very high89.5Confident51 Ų5152.4 Ų52.424%0.23628%0.283CS..Hα-helixtrans-81.2-43.3-175.2-169.388.5000113W112 Y113 Y149 R152W112-H116 HydrophobicContact CD2-CB 4.43Å; W112-H116 HydrophobicContact CH2-CB 4.29Å; W112-H116 HydrophobicContact CZ2-CB 4.16Å; W112-H116 AromaticContact CZ2-CG 3.89Å; W112-H116 AromaticContact CZ2-ND1 3.78Å; W112-H116 VanDerWaalsContact O-CB 3.24Å; W112-H116 WeakPolarHBondContact O-CB 3.35Å; W112-H116 PolarHBondContact O-N 2.87Å; Y113-H116 PolarHBondContact O-N 3Å; Y113-H116 VanDerWaalsContact O-N 3.13Å; H116-Y149 WeakPolarHBondContact O-CD1 3.34Å; H116-Y149 WeakPolarHBondContact O-CE1 3.47Å; H116-R152 PolarHBondContact O-NH1 3.29Å; H116-R152 VanDerWaalsContact O-NH1 3.16Å
117Y92.8Very high88.6Confident15 Ų1554.9 Ų54.96%0.05930%0.304CS..Hα-helixtrans-103.3-15.1-174.5-68.3-72.6000113.7E70 W112 Y113 T119 R152 K153 A156E70-Y117 VanDerWaalsContact OE2-CE2 3.27Å; E70-Y117 WeakPolarHBondContact OE2-CE2 3.38Å; E70-Y117 VanDerWaalsContact OE2-CZ 3.3Å; E70-Y117 PolarHBondContact OE2-OH 3.35Å; W112-Y117 HydrophobicContact CH2-CE2 4.37Å; W112-Y117 HydrophobicContact CZ3-CE2 4.25Å; Y113-Y117 HydrophobicContact CD1-CD2 4.35Å; Y113-Y117 AromaticContact CD2-CD2 3.36Å; Y113-Y117 HydrophobicContact CD2-CD2 3.36Å; Y113-Y117 AromaticContact CD2-CE2 3.64Å; Y113-Y117 HydrophobicContact CD2-CE2 3.64Å; Y113-Y117 HydrophobicContact CD2-CG 4.48Å; Y113-Y117 HydrophobicContact CE1-CD2 4.33Å; Y113-Y117 AromaticContact CE2-CD2 3.29Å; Y113-Y117 HydrophobicContact CE2-CD2 3.29Å; Y113-Y117 AromaticContact CE2-CE2 3.55Å; Y113-Y117 HydrophobicContact CE2-CE2 3.55Å; Y113-Y117 HydrophobicContact CE2-CG 4.13Å; Y113-Y117 AromaticContact CG-CD2 3.91Å; Y113-Y117 HydrophobicContact CG-CD2 3.91Å; Y113-Y117 AromaticContact CZ-CD2 3.84Å; Y113-Y117 PolarHBondContact O-N 3.21Å; Y117-T119 VanDerWaalsContact CB-OG1 3.32Å; Y117-T119 WeakPolarHBondContact CB-OG1 3.08Å; Y117-T119 PolarHBondContact O-N 3.47Å; Y117-R152 HydrophobicContact CD1-CB 3.96Å; Y117-R152 HydrophobicContact CE1-CB 4.15Å; Y117-R152 WeakPolarHBondContact CE1-O 3.37Å; Y117-K153 WeakPolarHBondContact O-CE 3.39Å; Y117-K153 WeakPolarHBondContact O-CG 3.22Å; Y117-A156 HydrophobicContact CD1-CB 3.5Å; Y117-A156 VanDerWaalsContact CD1-CB 3.5Å; Y117-A156 HydrophobicContact CE1-CB 3.89Å; Y117-A156 HydrophobicContact CG-CB 3.87Å
118A90.5Very high87.6Confident8 Ų861.5 Ų61.57%0.06633%0.33CS..  trans52.941.7-173.100000111.9E114 Y149 K153E114-A118 WeakPolarHBondContact O-CA 3.24Å; E114-A118 PolarHBondContact O-N 3.23Å; A118-Y149 HydrophobicContact CB-CD1 3.81Å; A118-Y149 HydrophobicContact CB-CE1 4.09Å; A118-K153 VanDerWaalsContact O-CE 3.3Å; A118-K153 WeakPolarHBondContact O-CE 3.4Å; A118-K153 PolarHBondContact O-NZ 2.88Å; A118-K153 VanDerWaalsContact O-NZ 3.11Å
119T88.1Confident86.5Confident30 Ų3062.5 Ų62.518%0.18433%0.334CS..  trans-129.413617646.80000109.4Y113 E114 Y117 K153Y113-T119 WeakPolarHBondContact CE1-OG1 3.19Å; E114-T119 WeakPolarHBondContact CG-O 3.17Å; Y117-T119 VanDerWaalsContact CB-OG1 3.32Å; Y117-T119 WeakPolarHBondContact CB-OG1 3.08Å; Y117-T119 PolarHBondContact O-N 3.47Å; T119-K153 HydrophobicContact CG2-CD 4.05Å; T119-K153 HydrophobicContact CG2-CG 3.96Å
120P88.5Confident85.7Confident83 Ų8365.8 Ų65.854%0.53935%0.354SS..  trans-69.5140.9177.828.7-33.7000110.6L137P120-L137 HydrophobicContact CB-CD1 4.23Å
121L89.1Confident84.9Confident11 Ų1168.8 Ų68.86%0.05838%0.379CS..  trans-132.2139.6179.1-178.463.8000111.4R110 Y113 R123 I158 E163 F166R110-L121 VanDerWaalsContact CD-O 3.25Å; R110-L121 WeakPolarHBondContact CD-O 3.33Å; R110-L121 HydrophobicContact CG-CB 4.37Å; Y113-L121 HydrophobicContact CD1-CB 3.64Å; Y113-L121 HydrophobicContact CD1-CD2 3.63Å; Y113-L121 HydrophobicContact CD1-CG 4.2Å; Y113-L121 HydrophobicContact CD2-CD2 4.16Å; Y113-L121 HydrophobicContact CE1-CB 3.87Å; Y113-L121 HydrophobicContact CE1-CD1 4.46Å; Y113-L121 HydrophobicContact CE1-CD2 4.07Å; Y113-L121 HydrophobicContact CE1-CG 4.36Å; Y113-L121 HydrophobicContact CG-CB 4.48Å; Y113-L121 HydrophobicContact CG-CD2 3.66Å; L121-R123 PolarHBondContact O-N 3.22Å; L121-I158 HydrophobicContact CD1-CD1 3.73Å; L121-I158 HydrophobicContact CD2-CD1 3.64Å; L121-I158 HydrophobicContact CG-CD1 4.35Å; L121-E163 HydrophobicContact CD1-CG 4.42Å; L121-F166 HydrophobicContact CD1-CD2 4.24Å; L121-F166 HydrophobicContact CD2-CD1 4.12Å; L121-F166 HydrophobicContact CD2-CD2 3.58Å; L121-F166 HydrophobicContact CD2-CE1 4.1Å; L121-F166 HydrophobicContact CD2-CE2 3.51Å; L121-F166 HydrophobicContact CD2-CG 3.89Å; L121-F166 HydrophobicContact CD2-CZ 3.82Å; L121-F166 HydrophobicContact CG-CB 4.23Å; L121-F166 HydrophobicContact CG-CD1 4.45Å; L121-F166 HydrophobicContact CG-CD2 3.98Å; L121-F166 HydrophobicContact CG-CE2 4.41Å; L121-F166 HydrophobicContact CG-CG 4Å
122G82.4Confident84.2Confident19 Ų1970.5 Ų70.520%0.19639%0.387CS..SBendtrans67.232.417200000114.7
123R82.4Confident83.2Confident50 Ų5070.1 Ų70.119%0.18939%0.387CS..  trans-111.6138.5178.4-62.7175-172.8-105.8-6.2111E114 L121 K125 E133 L167E114-R123 IonicContact OE1-CZ 3.36Å; E114-R123 IonicContact OE1-NE 2.99Å; E114-R123 PolarHBondContact OE1-NE 2.91Å; E114-R123 IonicContact OE1-NH2 2.84Å; E114-R123 PolarHBondContact OE1-NH2 3.12Å; E114-R123 IonicContact OE2-NH2 3.3Å; E114-R123 PolarHBondContact OE2-NH2 2.98Å; L121-R123 PolarHBondContact O-N 3.22Å; R123-K125 PolarHBondContact O-N 3.35Å; R123-E133 IonicContact CZ-OE1 3.7Å; R123-E133 IonicContact CZ-OE2 3.45Å; R123-E133 IonicContact NH1-OE1 3.72Å; R123-E133 IonicContact NH1-OE2 2.8Å; R123-E133 PolarHBondContact NH1-OE2 3.38Å; R123-E133 IonicContact NH2-OE1 2.96Å; R123-E133 PolarHBondContact NH2-OE1 3.38Å; R123-E133 IonicContact NH2-OE2 3.97Å; R123-E133 PolarHBondContact NH2-OE2 3.23Å; R123-L167 WeakPolarHBondContact O-CD2 3.49Å
124K79.6Confident82.4Confident174 Ų17473.7 Ų73.776%0.75740%0.404SS*.  trans-64.5134.7172.4-167.5177.2-179.3-177.30109G126 A127K124-G126 PolarHBondContact O-N 3.3Å; K124-A127 HydrophobicContact CB-CB 4.49Å; K124-A127 WeakPolarHBondContact O-CB 3.46Å; K124-A127 PolarHBondContact O-N 2.92Å
125K75Confident81.8Confident208 Ų20879.9 Ų79.990%0.90443%0.433SS*.THydrogen-bonded Turntrans-54125.1176-66.9-176.6179.3-179.30109.4R123R123-K125 PolarHBondContact O-N 3.35Å
126G70.4Confident81.2Confident83 Ų8381.7 Ų81.786%0.85644%0.435SS*.THydrogen-bonded Turntrans87.4-0.4179.700000116.2K124K124-G126 PolarHBondContact O-N 3.3Å
127A78.3Confident80.6Confident57 Ų5779.9 Ų79.947%0.47143%0.427SS..PPolyproline II helixtrans-72128.717100000110.4K124 L129K124-A127 HydrophobicContact CB-CB 4.49Å; K124-A127 WeakPolarHBondContact O-CB 3.46Å; K124-A127 PolarHBondContact O-N 2.92Å; A127-L129 PolarHBondContact O-N 3.15Å
128K74.5Confident80.1Confident205 Ų20585.2 Ų85.289%0.89146%0.456SS*.PPolyproline II helixtrans-63.7133.3173.9-67.2-175177.9-177.50109.5
129L74.1Confident79.9Confident49 Ų4991 Ų9126%0.25748%0.48SS..PPolyproline II helixtrans-74.4150.5172.1-73.3109.2000109.2A127 E133 E134 L137A127-L129 PolarHBondContact O-N 3.15Å; L129-E133 HydrophobicContact CB-CB 4.45Å; L129-E133 HydrophobicContact CD2-CB 4.07Å; L129-E134 HydrophobicContact CB-CG 3.31Å; L129-E134 HydrophobicContact CD1-CG 4.36Å; L129-E134 HydrophobicContact CD2-CG 4.42Å; L129-E134 HydrophobicContact CG-CG 4.23Å; L129-L137 HydrophobicContact CD2-CD1 3.35Å
130T80.4Confident79.9Confident68 Ų6899.6 Ų99.642%0.41752%0.515SS..PPolyproline II helixtrans-70.8154.8169.563.50000109.6E132 E133 E134T130-E132 PolarHBondContact O-N 3.21Å; T130-E133 PolarHBondContact N-OE2 3.2Å; T130-E133 PolarHBondContact O-N 2.89Å; T130-E133 VanDerWaalsContact OG1-CD 3.26Å; T130-E133 WeakPolarHBondContact OG1-CG 3.42Å; T130-E133 PolarHBondContact OG1-OE2 3.12Å; T130-E134 PolarHBondContact O-N 3.07Å
131P78.1Confident79.9Confident106 Ų10698.3 Ų98.369%0.68850%0.5SS*.Hα-helixtrans-53.5-39.2-179.5-27.434.9000113.4E133 E134 E135P131-E133 PolarHBondContact O-N 2.83Å; P131-E134 PolarHBondContact O-N 2.68Å; P131-E135 WeakPolarHBondContact O-CB 3.29Å; P131-E135 PolarHBondContact O-N 2.81Å
132E77.3Confident80.2Confident147 Ų147101 Ų10169%0.68752%0.519SS*.Hα-helixtrans-63.3-39.2177.5-61.1178.6175.800112.6T130 I136T130-E132 PolarHBondContact O-N 3.21Å; E132-I136 WeakPolarHBondContact O-CD1 3.41Å; E132-I136 VanDerWaalsContact O-CG1 3.29Å; E132-I136 WeakPolarHBondContact O-CG1 3.33Å; E132-I136 PolarHBondContact O-N 3.2Å
133E75.1Confident80.8Confident36 Ų36109.6 Ų109.617%0.16855%0.551CS.*Hα-helixtrans-75-37.6-179.3-66.2172.313800111.4R110 R123 L129 T130 P131 E135 I136 L137R110-E133 IonicContact CZ-OE1 3.33Å; R110-E133 IonicContact NH2-OE1 3.18Å; R110-E133 PolarHBondContact NH2-OE1 3.47Å; R123-E133 IonicContact CZ-OE1 3.7Å; R123-E133 IonicContact CZ-OE2 3.45Å; R123-E133 IonicContact NH1-OE1 3.72Å; R123-E133 IonicContact NH1-OE2 2.8Å; R123-E133 PolarHBondContact NH1-OE2 3.38Å; R123-E133 IonicContact NH2-OE1 2.96Å; R123-E133 PolarHBondContact NH2-OE1 3.38Å; R123-E133 IonicContact NH2-OE2 3.97Å; R123-E133 PolarHBondContact NH2-OE2 3.23Å; L129-E133 HydrophobicContact CB-CB 4.45Å; L129-E133 HydrophobicContact CD2-CB 4.07Å; T130-E133 PolarHBondContact N-OE2 3.2Å; T130-E133 PolarHBondContact O-N 2.89Å; T130-E133 VanDerWaalsContact OG1-CD 3.26Å; T130-E133 WeakPolarHBondContact OG1-CG 3.42Å; T130-E133 PolarHBondContact OG1-OE2 3.12Å; P131-E133 PolarHBondContact O-N 2.83Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E133-I136 PolarHBondContact O-N 3.36Å; E133-L137 WeakPolarHBondContact O-CG 3.33Å; E133-L137 PolarHBondContact O-N 3.34Å; E133-L137 VanDerWaalsContact O-N 3.14Å
134E77Confident81.5Confident88 Ų88116.2 Ų116.241%0.41158%0.581SS.*Hα-helixtrans-63.8-41172.6-67.2-168161.100111.7L129 T130 P131 I136 L137 N138L129-E134 HydrophobicContact CB-CG 3.31Å; L129-E134 HydrophobicContact CD1-CG 4.36Å; L129-E134 HydrophobicContact CD2-CG 4.42Å; L129-E134 HydrophobicContact CG-CG 4.23Å; T130-E134 PolarHBondContact O-N 3.07Å; P131-E134 PolarHBondContact O-N 2.68Å; E134-I136 PolarHBondContact O-N 3.47Å; E134-L137 PolarHBondContact O-N 3.26Å; E134-N138 WeakPolarHBondContact O-CB 3.03Å; E134-N138 PolarHBondContact O-N 2.94Å
135E79.4Confident82.1Confident140 Ų140111.7 Ų111.765%0.65457%0.565SS**Hα-helixtrans-61.9-43.6178.3-166-169.8157.500111.4P131 E133 K139P131-E135 WeakPolarHBondContact O-CB 3.29Å; P131-E135 PolarHBondContact O-N 2.81Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E135-K139 WeakPolarHBondContact O-CA 3.48Å; E135-K139 VanDerWaalsContact O-CB 3.31Å; E135-K139 WeakPolarHBondContact O-CB 3.47Å; E135-K139 PolarHBondContact O-N 3.37Å
136I78.7Confident83Confident87 Ų87104.9 Ų104.945%0.44654%0.536SS..Hα-helixtrans-65.1-44.2179.1-68165.5000111.2E132 E133 E134 R141E132-I136 WeakPolarHBondContact O-CD1 3.41Å; E132-I136 VanDerWaalsContact O-CG1 3.29Å; E132-I136 WeakPolarHBondContact O-CG1 3.33Å; E132-I136 PolarHBondContact O-N 3.2Å; E133-I136 PolarHBondContact O-N 3.36Å; E134-I136 PolarHBondContact O-N 3.47Å; I136-R141 PolarHBondContact O-NH2 2.86Å
137L80.3Confident84.1Confident14 Ų14107 Ų1077%0.07352%0.522CS..Hα-helixtrans-70.1-50.1-177.9-73.8165.9000111.3E114 P120 L129 E133 E134 K139 R141E114-L137 HydrophobicContact CB-CD2 4.31Å; P120-L137 HydrophobicContact CB-CD1 4.23Å; L129-L137 HydrophobicContact CD2-CD1 3.35Å; E133-L137 WeakPolarHBondContact O-CG 3.33Å; E133-L137 PolarHBondContact O-N 3.34Å; E133-L137 VanDerWaalsContact O-N 3.14Å; E134-L137 PolarHBondContact O-N 3.26Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 2.86Å; L137-R141 PolarHBondContact O-NH1 3.04Å
138N82.4Confident85Confident126 Ų126109.5 Ų109.567%0.67452%0.522SS*.Hα-helixtrans-93.814.5-173.6-62.8-32.5000113.9E134 K140E134-N138 WeakPolarHBondContact O-CB 3.03Å; E134-N138 PolarHBondContact O-N 2.94Å; N138-K140 PolarHBondContact O-N 3.49Å; N138-K140 VanDerWaalsContact O-N 3.17Å
139K86.9Confident85.9Confident130 Ų130101.7 Ų101.757%0.56549%0.487SS*.  trans-49.8125177-167.6167.9-175.1164.90111E135 L137 R141E135-K139 WeakPolarHBondContact O-CA 3.48Å; E135-K139 VanDerWaalsContact O-CB 3.31Å; E135-K139 WeakPolarHBondContact O-CB 3.47Å; E135-K139 PolarHBondContact O-N 3.37Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 2.86Å; K139-R141 WeakPolarHBondContact O-CG 3.46Å; K139-R141 PolarHBondContact O-N 2.97Å; K139-R141 PolarHBondContact O-NH1 2.86Å
140K87.3Confident86.8Confident210 Ų210104.2 Ų104.291%0.91350%0.498SS*.  trans-60.8121.8171.8-68-175.8-178177.40108.6N138N138-K140 PolarHBondContact O-N 3.49Å; N138-K140 VanDerWaalsContact O-N 3.17Å
141R89.8Confident87.5Confident57 Ų57105.9 Ų105.922%0.21550%0.501CS..  trans-120.2150.6-177.1-72163.6-177.6102.7-5.1109.3I136 L137 K139 I145I136-R141 PolarHBondContact O-NH2 2.86Å; L137-R141 PolarHBondContact O-NH1 3.04Å; K139-R141 WeakPolarHBondContact O-CG 3.46Å; K139-R141 PolarHBondContact O-N 2.97Å; K139-R141 PolarHBondContact O-NH1 2.86Å; R141-I145 HydrophobicContact CB-CB 4.24Å; R141-I145 HydrophobicContact CB-CG2 3.95Å; R141-I145 HydrophobicContact CG-CG2 3.94Å
142S95.2Very high88.2Confident68 Ų68103.8 Ų103.848%0.47648%0.479SS..  trans-65.2155.4172.468.90000110.8K144 I145 Q146S142-K144 VanDerWaalsContact C-N 3.26Å; S142-K144 PolarHBondContact O-N 2.85Å; S142-K144 VanDerWaalsContact O-N 3.16Å; S142-I145 PolarHBondContact O-N 2.88Å; S142-I145 WeakPolarHBondContact OG-CD1 3.18Å; S142-I145 WeakPolarHBondContact OG-CG1 3.36Å; S142-Q146 PolarHBondContact O-N 2.83Å
143K95Very high88.9Confident199 Ų199101 Ų10187%0.86546%0.464SS*.Hα-helixtrans-52.2-41.6-177.4-65.2-177.4179.4-179.70113.1Q146 K147K143-Q146 PolarHBondContact O-N 3.04Å; K143-K147 PolarHBondContact O-N 2.86Å; K143-K147 VanDerWaalsContact O-N 3.09Å
144K95.9Very high89.8Confident188 Ų188107.4 Ų107.482%0.81749%0.492SS*.Hα-helixtrans-64.4-41.9177.6-67.7-174.9179.4-179.50112.5S142 K148S142-K144 VanDerWaalsContact C-N 3.26Å; S142-K144 PolarHBondContact O-N 2.85Å; S142-K144 VanDerWaalsContact O-N 3.16Å; K144-K148 PolarHBondContact O-N 2.93Å
145I93.6Very high90.5Very high79 Ų79108 Ų10841%0.40550%0.501SS..Hα-helixtrans-70.6-41178.8-66.2174.4000110R141 S142 K147 K148 Y149R141-I145 HydrophobicContact CB-CB 4.24Å; R141-I145 HydrophobicContact CB-CG2 3.95Å; R141-I145 HydrophobicContact CG-CG2 3.94Å; S142-I145 PolarHBondContact O-N 2.88Å; S142-I145 WeakPolarHBondContact OG-CD1 3.18Å; S142-I145 WeakPolarHBondContact OG-CG1 3.36Å; I145-K147 PolarHBondContact O-N 3.27Å; I145-K148 WeakPolarHBondContact O-CB 3.33Å; I145-K148 PolarHBondContact O-N 3.19Å; I145-K148 VanDerWaalsContact O-N 3.15Å; I145-Y149 HydrophobicContact CG2-CD2 3.78Å; I145-Y149 HydrophobicContact CG2-CE2 3.64Å; I145-Y149 WeakPolarHBondContact O-CD2 3.29Å; I145-Y149 PolarHBondContact O-N 2.73Å; I145-Y149 VanDerWaalsContact O-N 3.09Å
146Q92.9Very high91.1Very high65 Ų65101.6 Ų101.630%0.30447%0.473SS..Hα-helixtrans-58.3-47.7178.1-172.563.817.900111.4S142 K143 K148 Y149 E150S142-Q146 PolarHBondContact O-N 2.83Å; K143-Q146 PolarHBondContact O-N 3.04Å; Q146-K148 VanDerWaalsContact C-N 3.29Å; Q146-K148 PolarHBondContact O-N 3.36Å; Q146-Y149 PolarHBondContact O-N 2.96Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.28Å; Q146-E150 WeakPolarHBondContact O-CG 3.15Å; Q146-E150 PolarHBondContact O-N 3.18Å
147K95.1Very high91.7Very high129 Ų129106.7 Ų106.756%0.56149%0.492SS*.Hα-helixtrans-55-42.6174.5-172.6-179.7-177.1-1750112.5K143 I145 Y149 E150 E151K143-K147 PolarHBondContact O-N 2.86Å; K143-K147 VanDerWaalsContact O-N 3.09Å; I145-K147 PolarHBondContact O-N 3.27Å; K147-Y149 PolarHBondContact O-N 3.18Å; K147-E150 PolarHBondContact O-N 2.98Å; K147-E151 WeakPolarHBondContact CE-OE1 3.35Å; K147-E151 WeakPolarHBondContact O-CG 3.44Å; K147-E151 PolarHBondContact O-N 3.47Å
148K95.5Very high92.3Very high109 Ų109106.7 Ų106.747%0.47449%0.492SS..Hα-helixtrans-61.1-40.5176.4-176.5-176.9-176.6179.20112.7K144 I145 Q146 R152K144-K148 PolarHBondContact O-N 2.93Å; I145-K148 WeakPolarHBondContact O-CB 3.33Å; I145-K148 PolarHBondContact O-N 3.19Å; I145-K148 VanDerWaalsContact O-N 3.15Å; Q146-K148 VanDerWaalsContact C-N 3.29Å; Q146-K148 PolarHBondContact O-N 3.36Å; K148-R152 VanDerWaalsContact CE-NH2 3.26Å; K148-R152 WeakPolarHBondContact O-CG 3.37Å; K148-R152 PolarHBondContact O-N 2.93Å
149Y93.2Very high92.8Very high40 Ų40103.3 Ų103.316%0.15748%0.478CS..Hα-helixtrans-71.2-38.6176.1-83.3-85000111.8A115 H116 A118 I145 Q146 K147 E151 R152 K153A115-Y149 PolarHBondContact O-OH 2.85Å; H116-Y149 WeakPolarHBondContact O-CD1 3.34Å; H116-Y149 WeakPolarHBondContact O-CE1 3.47Å; A118-Y149 HydrophobicContact CB-CD1 3.81Å; A118-Y149 HydrophobicContact CB-CE1 4.09Å; I145-Y149 HydrophobicContact CG2-CD2 3.78Å; I145-Y149 HydrophobicContact CG2-CE2 3.64Å; I145-Y149 WeakPolarHBondContact O-CD2 3.29Å; I145-Y149 PolarHBondContact O-N 2.73Å; I145-Y149 VanDerWaalsContact O-N 3.09Å; Q146-Y149 PolarHBondContact O-N 2.96Å; K147-Y149 PolarHBondContact O-N 3.18Å; Y149-E151 VanDerWaalsContact C-N 3.3Å; Y149-E151 PolarHBondContact O-N 3.21Å; Y149-R152 PolarHBondContact O-N 3.02Å; Y149-K153 VanDerWaalsContact O-CG 3.32Å; Y149-K153 WeakPolarHBondContact O-CG 3.4Å; Y149-K153 PolarHBondContact O-N 2.93Å
150E92.9Very high93.1Very high102 Ų102101.8 Ų101.848%0.47748%0.48SS..Hα-helixtrans-60.6-39.7174.7-72.4167.9-173.700111.9Q146 K147 K153Q146-E150 WeakPolarHBondContact CG-OE1 3.28Å; Q146-E150 WeakPolarHBondContact O-CG 3.15Å; Q146-E150 PolarHBondContact O-N 3.18Å; K147-E150 PolarHBondContact O-N 2.98Å; E150-K153 PolarHBondContact O-N 3.38Å
151E95.5Very high93.5Very high103 Ų10393.8 Ų93.848%0.48145%0.447SS..Hα-helixtrans-62.9-45172.9-74.4169.9-174.400112K147 Y149 K153 K154K147-E151 WeakPolarHBondContact CE-OE1 3.35Å; K147-E151 WeakPolarHBondContact O-CG 3.44Å; K147-E151 PolarHBondContact O-N 3.47Å; Y149-E151 VanDerWaalsContact C-N 3.3Å; Y149-E151 PolarHBondContact O-N 3.21Å; E151-K153 VanDerWaalsContact C-N 3.35Å; E151-K153 PolarHBondContact O-N 3.41Å; E151-K154 WeakPolarHBondContact O-CB 3.02Å; E151-K154 PolarHBondContact O-N 3.32Å
152R93.9Very high93.8Very high63 Ų6391.1 Ų91.124%0.23844%0.437CS..Hα-helixtrans-63.5-37.8175.6-71.6175.2-179.6179.1-7.1113.1H116 Y117 K148 Y149 K154 T155 A156H116-R152 PolarHBondContact O-NH1 3.29Å; H116-R152 VanDerWaalsContact O-NH1 3.16Å; Y117-R152 HydrophobicContact CD1-CB 3.96Å; Y117-R152 HydrophobicContact CE1-CB 4.15Å; Y117-R152 WeakPolarHBondContact CE1-O 3.37Å; K148-R152 VanDerWaalsContact CE-NH2 3.26Å; K148-R152 WeakPolarHBondContact O-CG 3.37Å; K148-R152 PolarHBondContact O-N 2.93Å; Y149-R152 PolarHBondContact O-N 3.02Å; R152-K154 PolarHBondContact O-N 2.89Å; R152-K154 VanDerWaalsContact O-N 3.16Å; R152-T155 PolarHBondContact O-N 3.1Å; R152-T155 VanDerWaalsContact O-N 3.09Å; R152-T155 PolarHBondContact O-OG1 3.12Å; R152-A156 PolarHBondContact O-N 3.32Å
153K91.6Very high93.7Very high87 Ų8791.7 Ų91.738%0.37843%0.432SS..Hα-helixtrans-59-27.5-179.8-79.6-179-178-166.30112.4Y117 A118 T119 Y149 E150 E151 T155 A156Y117-K153 WeakPolarHBondContact O-CE 3.39Å; Y117-K153 WeakPolarHBondContact O-CG 3.22Å; A118-K153 VanDerWaalsContact O-CE 3.3Å; A118-K153 WeakPolarHBondContact O-CE 3.4Å; A118-K153 PolarHBondContact O-NZ 2.88Å; A118-K153 VanDerWaalsContact O-NZ 3.11Å; T119-K153 HydrophobicContact CG2-CD 4.05Å; T119-K153 HydrophobicContact CG2-CG 3.96Å; Y149-K153 VanDerWaalsContact O-CG 3.32Å; Y149-K153 WeakPolarHBondContact O-CG 3.4Å; Y149-K153 PolarHBondContact O-N 2.93Å; E150-K153 PolarHBondContact O-N 3.38Å; E151-K153 VanDerWaalsContact C-N 3.35Å; E151-K153 PolarHBondContact O-N 3.41Å; K153-T155 PolarHBondContact O-N 2.88Å; K153-A156 WeakPolarHBondContact O-CB 3.4Å; K153-A156 PolarHBondContact O-N 2.78Å
154K93Very high93.6Very high171 Ų17187.4 Ų87.474%0.74342%0.415SS*.THydrogen-bonded Turntrans-61.2-33177.1-62.6177.8-177.6179.50112.8E151 R152E151-K154 WeakPolarHBondContact O-CB 3.02Å; E151-K154 PolarHBondContact O-N 3.32Å; R152-K154 PolarHBondContact O-N 2.89Å; R152-K154 VanDerWaalsContact O-N 3.16Å
155T91.9Very high93.6Very high100 Ų10079 Ų7961%0.61338%0.379SS*.THydrogen-bonded Turntrans-102.46.5-179.259.40000113.2R152 K153 K157R152-T155 PolarHBondContact O-N 3.1Å; R152-T155 VanDerWaalsContact O-N 3.09Å; R152-T155 PolarHBondContact O-OG1 3.12Å; K153-T155 PolarHBondContact O-N 2.88Å; T155-K157 PolarHBondContact O-N 3.4Å; T155-K157 VanDerWaalsContact O-N 3.14Å
156A91.9Very high93.7Very high7 Ų775.5 Ų75.56%0.05836%0.36CS..  trans-74.2-2.2-172.300000114.4Y113 Y117 R152 K153 I158Y113-A156 PolarHBondContact OH-O 3.38Å; Y117-A156 HydrophobicContact CD1-CB 3.5Å; Y117-A156 VanDerWaalsContact CD1-CB 3.5Å; Y117-A156 HydrophobicContact CE1-CB 3.89Å; Y117-A156 HydrophobicContact CG-CB 3.87Å; R152-A156 PolarHBondContact O-N 3.32Å; K153-A156 WeakPolarHBondContact O-CB 3.4Å; K153-A156 PolarHBondContact O-N 2.78Å; A156-I158 PolarHBondContact O-N 3.01Å
157K91Very high93.8Very high194 Ų19477 Ų7784%0.84337%0.37SS*.PPolyproline II helixtrans-68.3123.7-173.8-172.7175.2-178.6178.30111.3T155T155-K157 PolarHBondContact O-N 3.4Å; T155-K157 VanDerWaalsContact O-N 3.14Å
158I92.7Very high93.7Very high14 Ų1477.8 Ų77.87%0.07238%0.376CS..PPolyproline II helixtrans-99.6156.9176.1-56.8178.2000109.8W67 Y113 L121 A156 L162 E163 F166W67-I158 HydrophobicContact CH2-CD1 3.66Å; W67-I158 HydrophobicContact CH2-CG1 4.5Å; W67-I158 HydrophobicContact CZ2-CD1 3.86Å; W67-I158 HydrophobicContact CZ2-CG1 4.34Å; Y113-I158 HydrophobicContact CD2-CD1 3.94Å; Y113-I158 HydrophobicContact CE2-CD1 3.5Å; Y113-I158 VanDerWaalsContact CE2-CD1 3.5Å; Y113-I158 HydrophobicContact CE2-CG1 3.9Å; L121-I158 HydrophobicContact CD1-CD1 3.73Å; L121-I158 HydrophobicContact CD2-CD1 3.64Å; L121-I158 HydrophobicContact CG-CD1 4.35Å; A156-I158 PolarHBondContact O-N 3.01Å; I158-L162 HydrophobicContact CG2-CB 3.81Å; I158-L162 HydrophobicContact CG2-CD2 3.53Å; I158-L162 HydrophobicContact CG2-CG 4.24Å; I158-E163 HydrophobicContact CB-CG 4.19Å; I158-E163 HydrophobicContact CG2-CG 4.35Å; I158-F166 HydrophobicContact CD1-CE2 4.4Å
159S93.9Very high93.7Very high55 Ų5574 Ų7439%0.38537%0.367SS..PPolyproline II helixtrans-62.6143169.274.90000112.3L161 L162 E163S159-L161 VanDerWaalsContact C-N 3.3Å; S159-L161 PolarHBondContact O-N 2.99Å; S159-L162 PolarHBondContact O-N 2.97Å; S159-L162 WeakPolarHBondContact OG-CB 3.34Å; S159-E163 PolarHBondContact O-N 2.86Å; S159-E163 VanDerWaalsContact O-N 3.08Å
160T94.1Very high93.9Very high97 Ų9776.4 Ų76.460%0.59538%0.378SS*.Hα-helixtrans-57.6-39.9-178.651.50000113.1L162 E163 E164T160-L162 PolarHBondContact O-N 3.37Å; T160-E163 WeakPolarHBondContact O-CB 3.23Å; T160-E163 PolarHBondContact O-N 2.71Å; T160-E164 WeakPolarHBondContact O-CG 3.4Å; T160-E164 PolarHBondContact O-N 3.44Å
161L95.3Very high94.2Very high43 Ų4371.6 Ų71.623%0.22536%0.356CS..Hα-helixtrans-61.5-31.7178.2-65.2177.1000113.1S159 Q165 L195 E196 L199S159-L161 VanDerWaalsContact C-N 3.3Å; S159-L161 PolarHBondContact O-N 2.99Å; L161-Q165 PolarHBondContact O-N 2.95Å; L161-L195 HydrophobicContact CB-CD2 3.76Å; L161-L195 HydrophobicContact CD1-CD2 4.42Å; L161-E196 HydrophobicContact CD1-CG 3.55Å; L161-L199 HydrophobicContact CD1-CD1 4.41Å; L161-L199 HydrophobicContact CD2-CD1 4.29Å
162L94.8Very high94.3Very high1 Ų167.2 Ų67.21%0.00534%0.336CS..Hα-helixtrans-85.5-32.6-178.9-158.9143.2000110.5W67 I158 S159 T160 Q165 F166 L171 E191W67-L162 HydrophobicContact CZ2-CD2 3.91Å; I158-L162 HydrophobicContact CG2-CB 3.81Å; I158-L162 HydrophobicContact CG2-CD2 3.53Å; I158-L162 HydrophobicContact CG2-CG 4.24Å; S159-L162 PolarHBondContact O-N 2.97Å; S159-L162 WeakPolarHBondContact OG-CB 3.34Å; T160-L162 PolarHBondContact O-N 3.37Å; L162-Q165 PolarHBondContact O-N 3.03Å; L162-F166 HydrophobicContact CD2-CD2 3.55Å; L162-F166 HydrophobicContact CD2-CE2 3.16Å; L162-F166 HydrophobicContact CD2-CZ 4.23Å; L162-F166 HydrophobicContact CG-CE2 4.43Å; L162-F166 VanDerWaalsContact O-CD2 3.29Å; L162-F166 WeakPolarHBondContact O-CD2 3.37Å; L162-F166 PolarHBondContact O-N 2.65Å; L162-L171 HydrophobicContact CD2-CD2 4.4Å; L162-L171 HydrophobicContact CG-CD2 4.34Å; L162-E191 HydrophobicContact CD1-CG 3.82Å; L162-E191 WeakPolarHBondContact CD1-OE1 3.37Å
163E93.5Very high94.5Very high80 Ų8064.2 Ų64.237%0.37432%0.324SS..Hα-helixtrans-59.6-43.5167.3-68.9-178169.600112.3L121 I158 S159 T160 Q165 F166 L167L121-E163 HydrophobicContact CD1-CG 4.42Å; I158-E163 HydrophobicContact CB-CG 4.19Å; I158-E163 HydrophobicContact CG2-CG 4.35Å; S159-E163 PolarHBondContact O-N 2.86Å; S159-E163 VanDerWaalsContact O-N 3.08Å; T160-E163 WeakPolarHBondContact O-CB 3.23Å; T160-E163 PolarHBondContact O-N 2.71Å; E163-Q165 VanDerWaalsContact C-N 3.29Å; E163-Q165 PolarHBondContact O-N 3.27Å; E163-F166 PolarHBondContact O-N 2.94Å; E163-L167 WeakPolarHBondContact O-CG 3.26Å; E163-L167 PolarHBondContact O-N 2.86Å
164E93.8Very high94.9Very high109 Ų10960 Ų6051%0.50931%0.306SS..Hα-helixtrans-58-39.8175.1-74.6176.8-170.500112.3T160 L167 Q168T160-E164 WeakPolarHBondContact O-CG 3.4Å; T160-E164 PolarHBondContact O-N 3.44Å; E164-L167 WeakPolarHBondContact O-CB 3.39Å; E164-L167 PolarHBondContact O-N 3.01Å; E164-Q168 WeakPolarHBondContact O-CG 3.34Å; E164-Q168 PolarHBondContact O-N 3.06Å; E164-Q168 VanDerWaalsContact O-N 3.16Å
165Q96.4Very high95.1Very high12 Ų1251.9 Ų51.96%0.05627%0.271CS..Hα-helixtrans-70.2-38.8176.9-73.8-179.126.800112.7L161 L162 E163 L167 Q168 G169 K170 L171L161-Q165 PolarHBondContact O-N 2.95Å; L162-Q165 PolarHBondContact O-N 3.03Å; E163-Q165 VanDerWaalsContact C-N 3.29Å; E163-Q165 PolarHBondContact O-N 3.27Å; Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 3.29Å; Q165-Q168 PolarHBondContact O-N 3.45Å; Q165-Q168 VanDerWaalsContact O-N 3.16Å; Q165-G169 PolarHBondContact O-N 2.75Å; Q165-G169 VanDerWaalsContact O-N 3.07Å; Q165-K170 WeakPolarHBondContact CB-O 3.4Å; Q165-K170 PolarHBondContact O-N 3.23Å; Q165-L171 HydrophobicContact CB-CD2 3.77Å
166F95.6Very high95.4Very high4 Ų449.4 Ų49.42%0.01826%0.261CS..Hα-helixtrans-62.6-37.5172.9-85.8-64.6000112.1W67 F109 R110 L121 I158 L162 E163 Q168 G169 L171W67-F166 AromaticContact CH2-CE2 3.93Å; W67-F166 HydrophobicContact CH2-CE2 3.93Å; W67-F166 HydrophobicContact CH2-CZ 4.03Å; W67-F166 HydrophobicContact CZ2-CE2 4.23Å; W67-F166 HydrophobicContact CZ3-CE2 4.41Å; W67-F166 HydrophobicContact CZ3-CZ 4.04Å; F109-F166 HydrophobicContact CB-CE1 3.97Å; F109-F166 HydrophobicContact CB-CZ 3.94Å; R110-F166 HydrophobicContact CB-CD1 4.22Å; R110-F166 HydrophobicContact CB-CE1 4.12Å; L121-F166 HydrophobicContact CD1-CD2 4.24Å; L121-F166 HydrophobicContact CD2-CD1 4.12Å; L121-F166 HydrophobicContact CD2-CD2 3.58Å; L121-F166 HydrophobicContact CD2-CE1 4.1Å; L121-F166 HydrophobicContact CD2-CE2 3.51Å; L121-F166 HydrophobicContact CD2-CG 3.89Å; L121-F166 HydrophobicContact CD2-CZ 3.82Å; L121-F166 HydrophobicContact CG-CB 4.23Å; L121-F166 HydrophobicContact CG-CD1 4.45Å; L121-F166 HydrophobicContact CG-CD2 3.98Å; L121-F166 HydrophobicContact CG-CE2 4.41Å; L121-F166 HydrophobicContact CG-CG 4Å; I158-F166 HydrophobicContact CD1-CE2 4.4Å; L162-F166 HydrophobicContact CD2-CD2 3.55Å; L162-F166 HydrophobicContact CD2-CE2 3.16Å; L162-F166 HydrophobicContact CD2-CZ 4.23Å; L162-F166 HydrophobicContact CG-CE2 4.43Å; L162-F166 VanDerWaalsContact O-CD2 3.29Å; L162-F166 WeakPolarHBondContact O-CD2 3.37Å; L162-F166 PolarHBondContact O-N 2.65Å; E163-F166 PolarHBondContact O-N 2.94Å; F166-Q168 VanDerWaalsContact C-N 3.3Å; F166-Q168 PolarHBondContact O-N 3.29Å; F166-G169 PolarHBondContact O-N 2.75Å; F166-G169 VanDerWaalsContact O-N 3.13Å; F166-L171 HydrophobicContact CD1-CD2 4.42Å; F166-L171 HydrophobicContact CD2-CD2 4.22Å; F166-L171 HydrophobicContact CE1-CD1 3.89Å; F166-L171 HydrophobicContact CE1-CD2 4.35Å; F166-L171 HydrophobicContact CE2-CD2 4.19Å; F166-L171 HydrophobicContact CG-CD2 4.34Å; F166-L171 HydrophobicContact CZ-CD1 3.99Å; F166-L171 HydrophobicContact CZ-CD2 4.23Å
167L93.6Very high95.7Very high97 Ų9750 Ų5051%0.50826%0.264SS..Hα-helixtrans-62.9-35.7173-74.4167.2000112.5R123 E163 E164 Q165 G169R123-L167 WeakPolarHBondContact O-CD2 3.49Å; E163-L167 WeakPolarHBondContact O-CG 3.26Å; E163-L167 PolarHBondContact O-N 2.86Å; E164-L167 WeakPolarHBondContact O-CB 3.39Å; E164-L167 PolarHBondContact O-N 3.01Å; Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 3.29Å; L167-G169 VanDerWaalsContact C-N 3.26Å; L167-G169 PolarHBondContact O-N 2.92Å
168Q94.2Very high96.1Very high146 Ų14648.2 Ų48.268%0.68225%0.252SS*.Hα-helixtrans-76.3-12.7175.2-68.9176.7500113.5E164 Q165 F166 K170E164-Q168 WeakPolarHBondContact O-CG 3.34Å; E164-Q168 PolarHBondContact O-N 3.06Å; E164-Q168 VanDerWaalsContact O-N 3.16Å; Q165-Q168 PolarHBondContact O-N 3.45Å; Q165-Q168 VanDerWaalsContact O-N 3.16Å; F166-Q168 VanDerWaalsContact C-N 3.3Å; F166-Q168 PolarHBondContact O-N 3.29Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.35Å
169G95.4Very high96.4Very high28 Ų2847.7 Ų47.729%0.28925%0.249SC..THydrogen-bonded Turntrans75.911.4-177.100000114.6S106 Q165 F166 L167S106-G169 PolarHBondContact N-O 2.82Å; S106-G169 VanDerWaalsContact OG-CA 3.24Å; S106-G169 WeakPolarHBondContact OG-CA 3.27Å; S106-G169 PolarHBondContact OG-O 2.55Å; Q165-G169 PolarHBondContact O-N 2.75Å; Q165-G169 VanDerWaalsContact O-N 3.07Å; F166-G169 PolarHBondContact O-N 2.75Å; F166-G169 VanDerWaalsContact O-N 3.13Å; L167-G169 VanDerWaalsContact C-N 3.26Å; L167-G169 PolarHBondContact O-N 2.92Å
170K97.3Very high96.5Very high91 Ų9145.8 Ų45.840%0.39624%0.239SC..EExtended strand (participates in β ladder)trans-141.8129.5-175.8-55.8179.9-171.6168.90110.3I79 L103 V104 Q165 Q168I79-K170 HydrophobicContact CD1-CB 4.41Å; I79-K170 HydrophobicContact CD1-CD 3.94Å; I79-K170 HydrophobicContact CD1-CG 3.72Å; L103-K170 HydrophobicContact CD1-CD 4.48Å; L103-K170 HydrophobicContact CD2-CB 4.19Å; V104-K170 CarbonylContact O-C 3.59Å; V104-K170 WeakPolarHBondContact O-CA 3.46Å; Q165-K170 WeakPolarHBondContact CB-O 3.4Å; Q165-K170 PolarHBondContact O-N 3.23Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.35Å
171L98.1Very high96.7Very high1 Ų144.3 Ų44.31%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-104.8146.3178.7-63.8159.6000110.6L103 V104 F109 L162 Q165 F166 L189L103-L171 WeakPolarHBondContact CA-O 3.45Å; V104-L171 HydrophobicContact CG2-CB 3.98Å; V104-L171 PolarHBondContact N-O 2.95Å; V104-L171 PolarHBondContact O-N 3.29Å; F109-L171 HydrophobicContact CB-CD1 4.39Å; F109-L171 HydrophobicContact CD2-CD1 3.71Å; F109-L171 HydrophobicContact CE2-CD1 4.37Å; F109-L171 HydrophobicContact CG-CD1 4.33Å; L162-L171 HydrophobicContact CD2-CD2 4.4Å; L162-L171 HydrophobicContact CG-CD2 4.34Å; Q165-L171 HydrophobicContact CB-CD2 3.77Å; F166-L171 HydrophobicContact CD1-CD2 4.42Å; F166-L171 HydrophobicContact CD2-CD2 4.22Å; F166-L171 HydrophobicContact CE1-CD1 3.89Å; F166-L171 HydrophobicContact CE1-CD2 4.35Å; F166-L171 HydrophobicContact CE2-CD2 4.19Å; F166-L171 HydrophobicContact CG-CD2 4.34Å; F166-L171 HydrophobicContact CZ-CD1 3.99Å; F166-L171 HydrophobicContact CZ-CD2 4.23Å; L171-L189 HydrophobicContact CB-CD2 3.94Å; L171-L189 HydrophobicContact CD1-CD1 3.79Å; L171-L189 HydrophobicContact CD1-CD2 4.15Å
172L98.4Very high96.8Very high11 Ų1144.7 Ų44.76%0.05823%0.231CC..EExtended strand (participates in β ladder)trans-81.6130.1168.8-72.6171.9000110V82 I101 L103 L190 L195 L199 I202V82-L172 HydrophobicContact CG2-CD2 3.61Å; I101-L172 HydrophobicContact CG2-CB 4.46Å; I101-L172 HydrophobicContact CG2-CD2 3.9Å; L103-L172 HydrophobicContact CD2-CD2 3.59Å; L103-L172 HydrophobicContact CD2-CG 4.14Å; L103-L172 HydrophobicContact CG-CD2 4.25Å; L172-L190 HydrophobicContact CB-CB 4.43Å; L172-L190 HydrophobicContact CB-CD1 4.09Å; L172-L190 HydrophobicContact CB-CG 4.46Å; L172-L190 PolarHBondContact O-N 2.65Å; L172-L195 HydrophobicContact CB-CD1 4.24Å; L172-L195 HydrophobicContact CD1-CD1 3.8Å; L172-L199 HydrophobicContact CD1-CD2 3.58Å; L172-L199 HydrophobicContact CD1-CG 4.18Å; L172-I202 HydrophobicContact CD1-CD1 4.45Å; L172-I202 HydrophobicContact CD2-CD1 4.43Å
173A98.6Very high97Very high0 Ų044.9 Ų44.90%023%0.233CC..EExtended strand (participates in β ladder)trans-134.5150.9179.400000111.5F65 I101 V102 V104 Y188 L189F65-A173 HydrophobicContact CD1-CB 3.65Å; F65-A173 HydrophobicContact CE1-CB 3.81Å; I101-A173 CarbonylContact C-O 3.49Å; I101-A173 WeakPolarHBondContact CA-O 3.41Å; V102-A173 HydrophobicContact CG2-CB 4.15Å; V102-A173 WeakPolarHBondContact CG2-O 3.39Å; V102-A173 PolarHBondContact N-O 2.97Å; V102-A173 PolarHBondContact O-N 3.34Å; V104-A173 HydrophobicContact CG1-CB 3.95Å; V104-A173 HydrophobicContact CG2-CB 3.93Å; A173-Y188 CarbonylContact C-O 3.57Å; A173-Y188 VanDerWaalsContact CA-O 3.24Å; A173-Y188 WeakPolarHBondContact CA-O 3.37Å; A173-Y188 WeakPolarHBondContact CB-O 3.28Å; A173-L189 HydrophobicContact CB-CD2 4.01Å
174C98.7Very high97.2Very high0 Ų048.9 Ų48.90%025%0.245CC..EExtended strand (participates in β ladder)trans-104128.5173.3-177.20000110.2N99 I101 A176 G187 Y188 L190N99-C174 PolarHBondContact OD1-SG 3.13Å; I101-C174 HydrophobicContact CD1-CB 3.89Å; C174-A176 PolarHBondContact O-N 2.93Å; C174-G187 CarbonylContact O-C 3.59Å; C174-G187 WeakPolarHBondContact O-CA 3.37Å; C174-Y188 HydrophobicContact CB-CE1 4.02Å; C174-Y188 HydrophobicContact CB-CE2 4.07Å; C174-Y188 PolarHBondContact N-O 3.23Å; C174-Y188 PolarHBondContact O-N 2.9Å; C174-L190 HydrophobicContact CB-CD2 3.8Å
175I98.6Very high97.4Very high0 Ų043.8 Ų43.80%022%0.221CC..EExtended strand (participates in β ladder)trans-75.6116.2173.6-62.8-170.7000109.7F65 L96 N99 C100 V102 P179 A185F65-I175 HydrophobicContact CE1-CG1 4.37Å; L96-I175 HydrophobicContact CB-CD1 4.33Å; L96-I175 HydrophobicContact CD2-CD1 3.97Å; N99-I175 WeakPolarHBondContact CA-O 3.43Å; N99-I175 PolarHBondContact N-O 3.36Å; C100-I175 PolarHBondContact O-N 3.28Å; C100-I175 VanDerWaalsContact O-N 3.12Å; V102-I175 HydrophobicContact CG1-CD1 3.96Å; V102-I175 HydrophobicContact CG1-CG1 4.23Å; V102-I175 HydrophobicContact CG2-CD1 4.43Å; V102-I175 HydrophobicContact CG2-CG1 4.05Å; I175-P179 HydrophobicContact CG2-CG 4.42Å; I175-A185 HydrophobicContact CD1-CB 4.19Å
176A98.4Very high97.5Very high48 Ų4845.4 Ų45.440%0.39723%0.23SC..  trans-91.2-25.4177.200000112.8K98 C174 D186 Y188K98-A176 VanDerWaalsContact CE-O 3.23Å; K98-A176 WeakPolarHBondContact CE-O 3.46Å; C174-A176 PolarHBondContact O-N 2.93Å; A176-D186 PolarHBondContact N-O 3.05Å; A176-Y188 HydrophobicContact CB-CD1 4.24Å; A176-Y188 HydrophobicContact CB-CE1 4.31Å
177S98.3Very high97.6Very high19 Ų1945.7 Ų45.713%0.13323%0.234CC..SBendtrans-76.5174.9179.776.60000113K98 P179 R184 A185 D186K98-S177 WeakPolarHBondContact CA-O 3.43Å; K98-S177 VanDerWaalsContact CB-O 3.27Å; K98-S177 WeakPolarHBondContact CB-O 3.27Å; S177-P179 WeakPolarHBondContact O-CD 3.24Å; S177-R184 PolarHBondContact OG-O 3.13Å; S177-A185 WeakPolarHBondContact OG-CA 3.35Å; S177-D186 PolarHBondContact N-O 3.17Å; S177-D186 PolarHBondContact OG-N 2.97Å; S177-D186 PolarHBondContact OG-O 3.42Å
178R98.5Very high97.9Very high157 Ų15744.8 Ų44.859%0.59223%0.225SC*.  trans-11689.3173.4-70.9178.2173.8172.1-0.2109.8K98 G180 Q181 C182K98-R178 HydrophobicContact CB-CG 4.01Å; K98-R178 HydrophobicContact CD-CG 4Å; K98-R178 HydrophobicContact CG-CG 4.48Å; R178-G180 VanDerWaalsContact C-N 3.25Å; R178-G180 PolarHBondContact O-N 3.3Å; R178-G180 VanDerWaalsContact O-N 3.13Å; R178-Q181 HydrophobicContact CB-CB 4.13Å; R178-Q181 HydrophobicContact CB-CG 4.17Å; R178-Q181 PolarHBondContact O-N 2.63Å; R178-C182 PolarHBondContact O-N 2.93Å; R178-C182 PolarHBondContact O-SG 3.43Å
179P98.3Very high98.1Very high2 Ų238.1 Ų38.11%0.01319%0.194CC..Hα-helixtrans-51.9-41.1-174.7-28.633.7000114.1T36 A57 L60 L96 I175 S177 Q181 G183 R184 A185T36-P179 HydrophobicContact CG2-CB 4.16Å; A57-P179 HydrophobicContact CB-CB 4.37Å; A57-P179 WeakPolarHBondContact CB-O 3.36Å; A57-P179 PolarHBondContact N-O 3.31Å; L60-P179 HydrophobicContact CD1-CB 4.1Å; L96-P179 HydrophobicContact CB-CG 4.36Å; I175-P179 HydrophobicContact CG2-CG 4.42Å; S177-P179 WeakPolarHBondContact O-CD 3.24Å; P179-Q181 PolarHBondContact O-N 3.18Å; P179-Q181 VanDerWaalsContact O-N 3.14Å; P179-G183 VanDerWaalsContact O-CA 3.28Å; P179-G183 WeakPolarHBondContact O-CA 3.2Å; P179-G183 PolarHBondContact O-N 3.18Å; P179-R184 VanDerWaalsContact CA-O 3.28Å; P179-R184 WeakPolarHBondContact CA-O 3.49Å; P179-A185 HydrophobicContact CG-CB 4.3Å
180G97.5Very high98.2Very high15 Ų1536.8 Ų36.816%0.15518%0.18CC..Hα-helixtrans-74.46.7177.600000115.7R56 R178R56-G180 WeakPolarHBondContact CD-O 3.47Å; R56-G180 PolarHBondContact NE-O 2.99Å; R56-G180 PolarHBondContact NH1-O 3.16Å; R178-G180 VanDerWaalsContact C-N 3.25Å; R178-G180 PolarHBondContact O-N 3.3Å; R178-G180 VanDerWaalsContact O-N 3.13Å
181Q97.3Very high98.2Very high67 Ų6734.7 Ų34.731%0.31317%0.171SC..Hα-helixtrans-125.7-46.5175.9-61.8-63.2-64.300112Y55 R178 P179Y55-Q181 PolarHBondContact N-O 2.83Å; Y55-Q181 CarbonylContact O-C 3.57Å; R178-Q181 HydrophobicContact CB-CB 4.13Å; R178-Q181 HydrophobicContact CB-CG 4.17Å; R178-Q181 PolarHBondContact O-N 2.63Å; P179-Q181 PolarHBondContact O-N 3.18Å; P179-Q181 VanDerWaalsContact O-N 3.14Å
182C97.8Very high98.1Very high51 Ų5136.4 Ų36.435%0.34519%0.189SC..Hα-helixtrans-100.6-10.8-177.862.10000113.9R178 R184R178-C182 PolarHBondContact O-N 2.93Å; R178-C182 PolarHBondContact O-SG 3.43Å; C182-R184 VanDerWaalsContact C-N 3.26Å; C182-R184 PolarHBondContact O-N 2.85Å
183G97.9Very high98.1Very high5 Ų544.4 Ų44.45%0.05222%0.224CC..SBendtrans7511-179.100000114.8I43 Y55 P179I43-G183 WeakPolarHBondContact CD1-O 3.41Å; Y55-G183 PolarHBondContact O-N 3.14Å; Y55-G183 VanDerWaalsContact O-N 3.13Å; P179-G183 VanDerWaalsContact O-CA 3.28Å; P179-G183 WeakPolarHBondContact O-CA 3.2Å; P179-G183 PolarHBondContact O-N 3.18Å
184R98.2Very high98.1Very high164 Ų16447.5 Ų47.562%0.61924%0.238SC*.  trans-123.7150-178.7-56.8-175.3-176.2177.2-0.7111.5S177 P179 C182 D186S177-R184 PolarHBondContact OG-O 3.13Å; P179-R184 VanDerWaalsContact CA-O 3.28Å; P179-R184 WeakPolarHBondContact CA-O 3.49Å; C182-R184 VanDerWaalsContact C-N 3.26Å; C182-R184 PolarHBondContact O-N 2.85Å; R184-D186 WeakPolarHBondContact CB-OD2 3.43Å; R184-D186 WeakPolarHBondContact CD-OD2 3.41Å
185A98.2Very high98.1Very high1 Ų147.5 Ų47.51%0.00824%0.238CC..  trans-116.557.7177.700000110.4L60 G63 F65 I78 I175 S177 P179L60-A185 HydrophobicContact CD1-CB 3.74Å; G63-A185 WeakPolarHBondContact CA-O 3.38Å; F65-A185 WeakPolarHBondContact CZ-O 3.29Å; I78-A185 HydrophobicContact CD1-CB 3.59Å; I175-A185 HydrophobicContact CD1-CB 4.19Å; S177-A185 WeakPolarHBondContact OG-CA 3.35Å; P179-A185 HydrophobicContact CG-CB 4.3Å
186D98.4Very high98Very high46 Ų4652.7 Ų52.725%0.24626%0.263CS..  trans-86.8151.2-176.7-52.7-33.6000110.5N64 A176 S177 R184N64-D186 HydrophobicContact CB-CB 4.46Å; N64-D186 WeakPolarHBondContact CB-OD1 3.25Å; N64-D186 PolarHBondContact N-OD1 3.46Å; N64-D186 CarbonylContact O-C 3.2Å; N64-D186 WeakPolarHBondContact O-CA 3.28Å; N64-D186 WeakPolarHBondContact O-CB 3.41Å; A176-D186 PolarHBondContact N-O 3.05Å; S177-D186 PolarHBondContact N-O 3.17Å; S177-D186 PolarHBondContact OG-N 2.97Å; S177-D186 PolarHBondContact OG-O 3.42Å; R184-D186 WeakPolarHBondContact CB-OD2 3.43Å; R184-D186 WeakPolarHBondContact CD-OD2 3.41Å
187G98.4Very high98Very high11 Ų1154.1 Ų54.111%0.11326%0.26CS..EExtended strand (participates in β ladder)trans-168.5-163.8-171.600000114.3N64 F65 S66 C174N64-G187 PolarHBondContact O-N 3.13Å; F65-G187 WeakPolarHBondContact CA-O 3.33Å; S66-G187 PolarHBondContact N-O 3.31Å; C174-G187 CarbonylContact O-C 3.59Å; C174-G187 WeakPolarHBondContact O-CA 3.37Å
188Y98.7Very high98Very high78 Ų7854.3 Ų54.331%0.30626%0.258SS..EExtended strand (participates in β ladder)trans-139.5154.6177.260.1-86.1000110.6S66 A173 C174 A176 L190 E194S66-Y188 CarbonylContact O-C 3.53Å; S66-Y188 WeakPolarHBondContact O-CA 2.95Å; S66-Y188 WeakPolarHBondContact O-CB 3.18Å; A173-Y188 CarbonylContact C-O 3.57Å; A173-Y188 VanDerWaalsContact CA-O 3.24Å; A173-Y188 WeakPolarHBondContact CA-O 3.37Å; A173-Y188 WeakPolarHBondContact CB-O 3.28Å; C174-Y188 HydrophobicContact CB-CE1 4.02Å; C174-Y188 HydrophobicContact CB-CE2 4.07Å; C174-Y188 PolarHBondContact N-O 3.23Å; C174-Y188 PolarHBondContact O-N 2.9Å; A176-Y188 HydrophobicContact CB-CD1 4.24Å; A176-Y188 HydrophobicContact CB-CE1 4.31Å; Y188-L190 HydrophobicContact CE2-CD2 4.17Å; Y188-E194 WeakPolarHBondContact CE2-OE2 3.49Å; Y188-E194 PolarHBondContact OH-OE1 2.9Å
189L98.4Very high97.9Very high5 Ų548.9 Ų48.93%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-72.2141.4174.7-58.9-176.2000110.1S66 W67 V104 F109 L171 A173S66-L189 PolarHBondContact O-N 2.97Å; W67-L189 HydrophobicContact CB-CD1 3.77Å; W67-L189 HydrophobicContact CB-CG 4.46Å; W67-L189 HydrophobicContact CD2-CD1 4.37Å; W67-L189 HydrophobicContact CG-CD1 3.82Å; V104-L189 HydrophobicContact CG2-CD2 3.83Å; F109-L189 HydrophobicContact CD1-CD1 4.32Å; F109-L189 HydrophobicContact CD2-CD1 4.15Å; F109-L189 HydrophobicContact CE1-CD1 4.24Å; F109-L189 HydrophobicContact CE2-CD1 4.04Å; F109-L189 HydrophobicContact CE2-CD2 3.99Å; F109-L189 HydrophobicContact CE2-CG 4.34Å; F109-L189 HydrophobicContact CG-CD1 4.27Å; F109-L189 HydrophobicContact CZ-CD1 4.1Å; F109-L189 HydrophobicContact CZ-CD2 4.28Å; F109-L189 HydrophobicContact CZ-CG 4.26Å; L171-L189 HydrophobicContact CB-CD2 3.94Å; L171-L189 HydrophobicContact CD1-CD1 3.79Å; L171-L189 HydrophobicContact CD1-CD2 4.15Å; A173-L189 HydrophobicContact CB-CD2 4.01Å
190L98.3Very high97.9Very high0 Ų056.7 Ų56.70%027%0.27CS..  trans-78131176.1-66-174.2000110.5I101 L172 C174 Y188 E194 L195 Y198I101-L190 HydrophobicContact CD1-CD1 4.07Å; I101-L190 HydrophobicContact CD1-CD2 4.43Å; I101-L190 HydrophobicContact CG1-CD1 4.48Å; I101-L190 HydrophobicContact CG2-CD1 3.81Å; L172-L190 HydrophobicContact CB-CB 4.43Å; L172-L190 HydrophobicContact CB-CD1 4.09Å; L172-L190 HydrophobicContact CB-CG 4.46Å; L172-L190 PolarHBondContact O-N 2.65Å; C174-L190 HydrophobicContact CB-CD2 3.8Å; Y188-L190 HydrophobicContact CE2-CD2 4.17Å; L190-E194 HydrophobicContact CD2-CG 3.94Å; L190-L195 HydrophobicContact CB-CB 4.07Å; L190-L195 HydrophobicContact CB-CD1 3.93Å; L190-Y198 HydrophobicContact CD1-CD2 3.64Å; L190-Y198 HydrophobicContact CD1-CE2 4.47Å; L190-Y198 HydrophobicContact CD1-CG 4.05Å; L190-Y198 HydrophobicContact CD2-CD2 4.17Å; L190-Y198 HydrophobicContact CD2-CE2 4.32Å
191E97.5Very high97.8Very high47 Ų4760.2 Ų60.222%0.2228%0.281CS..  trans-135.4161.5-179.3-52.4-167.3104.300112W67 S69 L162 E194 L195W67-E191 PolarHBondContact NE1-OE1 3.13Å; S69-E191 PolarHBondContact N-OE2 3.33Å; S69-E191 PolarHBondContact OG-OE1 2.94Å; L162-E191 HydrophobicContact CD1-CG 3.82Å; L162-E191 WeakPolarHBondContact CD1-OE1 3.37Å; E191-E194 PolarHBondContact O-N 2.84Å; E191-L195 PolarHBondContact O-N 2.92Å
192G96.8Very high97.7Very high37 Ų3759.1 Ų59.138%0.38128%0.276SS..Hα-helixtrans52.2-135.617300000114.7E194 L195 E196G192-E194 PolarHBondContact O-N 3.45Å; G192-L195 WeakPolarHBondContact O-CB 3.49Å; G192-L195 PolarHBondContact O-N 3.31Å; G192-L195 VanDerWaalsContact O-N 3.13Å; G192-E196 PolarHBondContact O-N 2.8Å
193K97.8Very high97.6Very high180 Ų18064.2 Ų64.278%0.78329%0.293SS*.Hα-helixtrans-60.4-30.8-177.7-66.2-173.3178.9-179.80113.3F197K193-F197 WeakPolarHBondContact O-CB 3.49Å; K193-F197 PolarHBondContact O-N 3.32Å
194E98.1Very high97.5Very high64 Ų6466.8 Ų66.830%0.29931%0.314SS..Hα-helixtrans-69.3-43.6177.9-171.1179.2-167.800110.5Y188 L190 E191 G192 F197 Y198Y188-E194 WeakPolarHBondContact CE2-OE2 3.49Å; Y188-E194 PolarHBondContact OH-OE1 2.9Å; L190-E194 HydrophobicContact CD2-CG 3.94Å; E191-E194 PolarHBondContact O-N 2.84Å; G192-E194 PolarHBondContact O-N 3.45Å; E194-F197 PolarHBondContact O-N 3.41Å; E194-Y198 HydrophobicContact CG-CD2 3.81Å; E194-Y198 HydrophobicContact CG-CE2 3.62Å; E194-Y198 VanDerWaalsContact O-CD2 3.27Å; E194-Y198 WeakPolarHBondContact O-CD2 3.47Å; E194-Y198 PolarHBondContact O-N 2.99Å
195L98Very high97.1Very high0 Ų063 Ų630%030%0.302CS..Hα-helixtrans-60.5-48.1175.1176.658000111.5L161 L172 L190 E191 G192 F197 Y198 L199L161-L195 HydrophobicContact CB-CD2 3.76Å; L161-L195 HydrophobicContact CD1-CD2 4.42Å; L172-L195 HydrophobicContact CB-CD1 4.24Å; L172-L195 HydrophobicContact CD1-CD1 3.8Å; L190-L195 HydrophobicContact CB-CB 4.07Å; L190-L195 HydrophobicContact CB-CD1 3.93Å; E191-L195 PolarHBondContact O-N 2.92Å; G192-L195 WeakPolarHBondContact O-CB 3.49Å; G192-L195 PolarHBondContact O-N 3.31Å; G192-L195 VanDerWaalsContact O-N 3.13Å; L195-F197 VanDerWaalsContact C-N 3.3Å; L195-F197 PolarHBondContact O-N 3.07Å; L195-Y198 PolarHBondContact O-N 3.04Å; L195-L199 HydrophobicContact CD1-CD1 3.88Å; L195-L199 HydrophobicContact CD1-CG 3.89Å; L195-L199 HydrophobicContact CG-CD1 3.84Å; L195-L199 HydrophobicContact CG-CG 4.31Å; L195-L199 WeakPolarHBondContact O-CB 3.3Å; L195-L199 VanDerWaalsContact O-CG 3.31Å; L195-L199 WeakPolarHBondContact O-CG 3.44Å; L195-L199 PolarHBondContact O-N 2.8Å
196E97.8Very high96.7Very high110 Ų11071.8 Ų71.851%0.51434%0.34SS..Hα-helixtrans-55.5-45.6175.9-71.7171.6-171.800111.9L161 G192 L199 R200L161-E196 HydrophobicContact CD1-CG 3.55Å; G192-E196 PolarHBondContact O-N 2.8Å; E196-L199 PolarHBondContact O-N 3.48Å; E196-R200 WeakPolarHBondContact O-CB 3.39Å; E196-R200 PolarHBondContact O-N 2.79Å
197F98.2Very high95.7Very high78 Ų7873 Ų7334%0.34236%0.364SS..Hα-helixtrans-59.5-50.3179.2173.7-93.2000111.8K193 E194 L195 R200 K201K193-F197 WeakPolarHBondContact O-CB 3.49Å; K193-F197 PolarHBondContact O-N 3.32Å; E194-F197 PolarHBondContact O-N 3.41Å; L195-F197 VanDerWaalsContact C-N 3.3Å; L195-F197 PolarHBondContact O-N 3.07Å; F197-R200 PolarHBondContact O-N 2.82Å; F197-K201 HydrophobicContact CD1-CG 4.34Å; F197-K201 HydrophobicContact CE1-CG 3.92Å; F197-K201 HydrophobicContact CE2-CG 4.39Å; F197-K201 HydrophobicContact CZ-CD 4.34Å; F197-K201 VanDerWaalsContact CZ-CE 3.45Å; F197-K201 HydrophobicContact CZ-CG 3.96Å; F197-K201 WeakPolarHBondContact O-CG 3.37Å; F197-K201 PolarHBondContact O-N 3.38Å
198Y98Very high94.1Very high23 Ų2383.8 Ų83.89%0.0941%0.407CS..Hα-helixtrans-71.4-36.1-178.6-75.9-67.4000112.6Y83 I101 L190 E194 L195 R200 K201 I202Y83-Y198 AromaticContact CD1-CD1 3.89Å; Y83-Y198 HydrophobicContact CD1-CD1 3.89Å; Y83-Y198 AromaticContact CD1-CE1 3.95Å; Y83-Y198 HydrophobicContact CD1-CE1 3.95Å; Y83-Y198 AromaticContact CE1-CD1 3.98Å; Y83-Y198 HydrophobicContact CE1-CD1 3.98Å; Y83-Y198 AromaticContact CE1-CE1 3.8Å; Y83-Y198 HydrophobicContact CE1-CE1 3.8Å; I101-Y198 HydrophobicContact CD1-CD1 4.18Å; I101-Y198 HydrophobicContact CD1-CD2 4.16Å; I101-Y198 HydrophobicContact CD1-CE1 4Å; I101-Y198 HydrophobicContact CD1-CE2 3.96Å; I101-Y198 HydrophobicContact CD1-CG 4.26Å; I101-Y198 HydrophobicContact CG1-CD1 3.74Å; I101-Y198 HydrophobicContact CG1-CD2 4.46Å; I101-Y198 HydrophobicContact CG1-CE1 3.88Å; I101-Y198 HydrophobicContact CG1-CG 4.06Å; L190-Y198 HydrophobicContact CD1-CD2 3.64Å; L190-Y198 HydrophobicContact CD1-CE2 4.47Å; L190-Y198 HydrophobicContact CD1-CG 4.05Å; L190-Y198 HydrophobicContact CD2-CD2 4.17Å; L190-Y198 HydrophobicContact CD2-CE2 4.32Å; E194-Y198 HydrophobicContact CG-CD2 3.81Å; E194-Y198 HydrophobicContact CG-CE2 3.62Å; E194-Y198 VanDerWaalsContact O-CD2 3.27Å; E194-Y198 WeakPolarHBondContact O-CD2 3.47Å; E194-Y198 PolarHBondContact O-N 2.99Å; L195-Y198 PolarHBondContact O-N 3.04Å; Y198-R200 VanDerWaalsContact C-N 3.31Å; Y198-R200 PolarHBondContact O-N 2.55Å; Y198-K201 PolarHBondContact O-N 3.49Å; Y198-I202 WeakPolarHBondContact O-CB 3.23Å; Y198-I202 VanDerWaalsContact O-CG1 3.25Å; Y198-I202 WeakPolarHBondContact O-CG1 3.05Å; Y198-I202 PolarHBondContact O-N 3.47Å
199L97.1Very high93.8Very high43 Ų4384.1 Ų84.123%0.22541%0.413CS..Hα-helixtrans-58-44.9171.4-76174.1000111.1L161 L172 L195 E196 K201 I202 K203L161-L199 HydrophobicContact CD1-CD1 4.41Å; L161-L199 HydrophobicContact CD2-CD1 4.29Å; L172-L199 HydrophobicContact CD1-CD2 3.58Å; L172-L199 HydrophobicContact CD1-CG 4.18Å; L195-L199 HydrophobicContact CD1-CD1 3.88Å; L195-L199 HydrophobicContact CD1-CG 3.89Å; L195-L199 HydrophobicContact CG-CD1 3.84Å; L195-L199 HydrophobicContact CG-CG 4.31Å; L195-L199 WeakPolarHBondContact O-CB 3.3Å; L195-L199 VanDerWaalsContact O-CG 3.31Å; L195-L199 WeakPolarHBondContact O-CG 3.44Å; L195-L199 PolarHBondContact O-N 2.8Å; E196-L199 PolarHBondContact O-N 3.48Å; L199-K201 PolarHBondContact O-N 2.75Å; L199-I202 PolarHBondContact O-N 3.03Å; L199-K203 WeakPolarHBondContact O-CB 3.29Å; L199-K203 WeakPolarHBondContact O-CG 3.46Å; L199-K203 PolarHBondContact O-N 2.85Å
200R97Very high93.6Very high166 Ų16688.3 Ų88.363%0.62643%0.433SS*.Hα-helixtrans-61.7-42.9175.3-176.9173.560.2-173.5-1.7111.9E196 F197 Y198 K203 A204E196-R200 WeakPolarHBondContact O-CB 3.39Å; E196-R200 PolarHBondContact O-N 2.79Å; F197-R200 PolarHBondContact O-N 2.82Å; Y198-R200 VanDerWaalsContact C-N 3.31Å; Y198-R200 PolarHBondContact O-N 2.55Å; R200-K203 PolarHBondContact O-N 2.91Å; R200-A204 WeakPolarHBondContact O-CB 3.18Å; R200-A204 PolarHBondContact O-N 2.83Å
201K96.6Very high93.3Very high88 Ų8893.2 Ų93.238%0.38346%0.457SS..Hα-helixtrans-65.5-38.3177.5-70.8-65.5-176.4-176.60112.7Y83 F197 Y198 L199 K205Y83-K201 HydrophobicContact CD2-CB 4.43Å; Y83-K201 HydrophobicContact CE2-CB 3.82Å; F197-K201 HydrophobicContact CD1-CG 4.34Å; F197-K201 HydrophobicContact CE1-CG 3.92Å; F197-K201 HydrophobicContact CE2-CG 4.39Å; F197-K201 HydrophobicContact CZ-CD 4.34Å; F197-K201 VanDerWaalsContact CZ-CE 3.45Å; F197-K201 HydrophobicContact CZ-CG 3.96Å; F197-K201 WeakPolarHBondContact O-CG 3.37Å; F197-K201 PolarHBondContact O-N 3.38Å; Y198-K201 PolarHBondContact O-N 3.49Å; L199-K201 PolarHBondContact O-N 2.75Å; K201-K205 PolarHBondContact O-N 3.41Å; K201-K205 VanDerWaalsContact O-N 3.15Å
202I95.6Very high93.1Very high44 Ų4495.9 Ų95.923%0.22647%0.471CS..Hα-helixtrans-67.5-47.1176.3-68.6164.1000110.1V82 Y83 L172 Y198 L199 A204 K205 K206V82-I202 HydrophobicContact CB-CD1 4.42Å; V82-I202 HydrophobicContact CG2-CD1 3.94Å; Y83-I202 HydrophobicContact CD2-CG1 4.27Å; Y83-I202 HydrophobicContact CG-CG1 4.44Å; L172-I202 HydrophobicContact CD1-CD1 4.45Å; L172-I202 HydrophobicContact CD2-CD1 4.43Å; Y198-I202 WeakPolarHBondContact O-CB 3.23Å; Y198-I202 VanDerWaalsContact O-CG1 3.25Å; Y198-I202 WeakPolarHBondContact O-CG1 3.05Å; Y198-I202 PolarHBondContact O-N 3.47Å; L199-I202 PolarHBondContact O-N 3.03Å; I202-A204 PolarHBondContact O-N 3.08Å; I202-K205 PolarHBondContact O-N 3.27Å; I202-K205 VanDerWaalsContact O-N 3.17Å; I202-K206 PolarHBondContact O-N 3.23Å
203K95.3Very high92.9Very high158 Ų15899.6 Ų99.669%0.68748%0.476SS*.Hα-helixtrans-57.4-48176.2-74.6-179.5-178-176.90111.8L199 R200 K205 K206 G207L199-K203 WeakPolarHBondContact O-CB 3.29Å; L199-K203 WeakPolarHBondContact O-CG 3.46Å; L199-K203 PolarHBondContact O-N 2.85Å; R200-K203 PolarHBondContact O-N 2.91Å; K203-K205 VanDerWaalsContact C-N 3.26Å; K203-K205 PolarHBondContact O-N 2.82Å; K203-K206 PolarHBondContact O-N 3.46Å; K203-K206 VanDerWaalsContact O-N 3.12Å; K203-G207 PolarHBondContact O-N 3.42Å; K203-G207 VanDerWaalsContact O-N 3.1Å
204A94.8Very high92.5Very high60 Ų6094.2 Ų94.250%0.49646%0.456SS..Hα-helixtrans-63.4-28.7178.500000113.8R200 I202R200-A204 WeakPolarHBondContact O-CB 3.18Å; R200-A204 PolarHBondContact O-N 2.83Å; I202-A204 PolarHBondContact O-N 3.08Å
205K90.9Very high92.1Very high83 Ų8396.4 Ų96.436%0.36147%0.467SS..Hα-helixtrans-78.8-28.2174-81.9-171.5179.2177.20113.4Y83 N84 N88 K201 I202 K203Y83-K205 HydrophobicContact CD2-CD 3.99Å; Y83-K205 HydrophobicContact CE2-CD 3.86Å; Y83-K205 VanDerWaalsContact CE2-CE 3.46Å; N84-K205 PolarHBondContact O-NZ 3.09Å; N88-K205 WeakPolarHBondContact OD1-CE 3.49Å; N88-K205 PolarHBondContact OD1-NZ 3.02Å; K201-K205 PolarHBondContact O-N 3.41Å; K201-K205 VanDerWaalsContact O-N 3.15Å; I202-K205 PolarHBondContact O-N 3.27Å; I202-K205 VanDerWaalsContact O-N 3.17Å; K203-K205 VanDerWaalsContact C-N 3.26Å; K203-K205 PolarHBondContact O-N 2.82Å
206K88.6Confident91.7Very high186 Ų186103.8 Ų103.881%0.80950%0.503SS*.Hα-helixtrans-80.2-30.1179.3-171-179.4178-174.20112.6I202 K203 K208I202-K206 PolarHBondContact O-N 3.23Å; K203-K206 PolarHBondContact O-N 3.46Å; K203-K206 VanDerWaalsContact O-N 3.12Å; K206-K208 VanDerWaalsContact C-N 3.25Å; K206-K208 PolarHBondContact O-N 3.26Å
207G79.1Confident91.2Very high73 Ų73103.3 Ų103.375%0.75350%0.502SS*.  trans-82.23.7177.100000114.8K203K203-G207 PolarHBondContact O-N 3.42Å; K203-G207 VanDerWaalsContact O-N 3.1Å
208K63.1Low90.5Very high237 Ų237105.5 Ų105.5100%1.0352%0.517SS*.  trans-107.30169.4-73.6-171.6177.1-1650108.6K206K206-K208 VanDerWaalsContact C-N 3.25Å; K206-K208 PolarHBondContact O-N 3.26Å

Retrieved 208 of 208 residues in 151.1 ms (Link to these results)

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