A0A087WNP8_MOUSE Loading...

Predicted gene, 21778

AlphaFold DB , UniProt , Accession A0A087WNP8, Species MOUSE (Mus musculus, Mouse), Gene Gm21778, Length 232 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
1M38.5Very low34.3Very low254 Ų254193.4 Ų193.4100%1.25189%0.888SS**  085.80-71.4-177.9153.500108.8
2S35.1Very low34.1Very low111 Ų111185.9 Ų185.978%0.77688%0.875SS**  trans-94.9115.5-178.259.40000110.1L4S2-L4 PolarHBondContact O-N 3.33Å
3S35Very low34.3Very low97 Ų97180.2 Ų180.268%0.67887%0.868SS**  trans-67.2119.4179.8108.50000110M5S3-M5 VanDerWaalsContact C-N 3.34Å; S3-M5 PolarHBondContact O-N 3.08Å; S3-M5 VanDerWaalsContact O-N 3.08Å
4L35.6Very low34.4Very low167 Ų167173.8 Ų173.887%0.87485%0.851SS**  trans-76.889.5169.9-123.794.1000107.4S2 K6S2-L4 PolarHBondContact O-N 3.33Å; L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 2.9Å
5M34.7Very low34.7Very low166 Ų166173.6 Ų173.682%0.81886%0.855SS**  trans-6598.6166.5-74.1-138.2162.100108.8S3 K7S3-M5 VanDerWaalsContact C-N 3.34Å; S3-M5 PolarHBondContact O-N 3.08Å; S3-M5 VanDerWaalsContact O-N 3.08Å; M5-K7 PolarHBondContact O-N 2.8Å
6K31.7Very low35.1Very low198 Ų198169.7 Ų169.786%0.86184%0.844SS**  trans-59.488.6167.7-130.1173.7-173.3172.50107.4L4 R8L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 2.9Å; K6-R8 VanDerWaalsContact C-N 3.33Å; K6-R8 PolarHBondContact O-N 2.83Å
7K33Very low36.3Very low202 Ų202167.6 Ų167.688%0.87884%0.836SS**  trans-54.4101165.5-101.2178.8176.4173.70106.5M5 R9M5-K7 PolarHBondContact O-N 2.8Å; K7-R9 VanDerWaalsContact C-N 3.33Å; K7-R9 PolarHBondContact O-N 2.88Å
8R33.5Very low38.1Very low239 Ų239169.2 Ų169.290%0.90283%0.831SS**  trans-54103.7165.6-86175.2110.6-177.13.8105.7K6 R10K6-R8 VanDerWaalsContact C-N 3.33Å; K6-R8 PolarHBondContact O-N 2.83Å; R8-R10 PolarHBondContact O-N 2.85Å
9R33.3Very low40.6Very low243 Ų243166.3 Ų166.392%0.91782%0.819SS**  trans-48.8106.8163.1-101.3175.9163.8151.9-4.9105.9K7 K11K7-R9 VanDerWaalsContact C-N 3.33Å; K7-R9 PolarHBondContact O-N 2.88Å; R9-K11 PolarHBondContact O-N 2.89Å
10R33.1Very low43.1Very low249 Ų249158.1 Ų158.194%0.9478%0.778SS**  trans-57.1102157.6-82.1-177.9172.7170.2-2.2104.4R8 S12R8-R10 PolarHBondContact O-N 2.85Å; R10-S12 VanDerWaalsContact C-N 3.32Å; R10-S12 PolarHBondContact O-N 2.82Å
11K34.1Very low45.4Very low201 Ų201152.5 Ų152.587%0.87475%0.753SS**  trans-59.7105165.6-132.1177.3-177.9-178.70103.9R9 S13R9-K11 PolarHBondContact O-N 2.89Å; K11-S13 PolarHBondContact O-N 3.37Å; K11-S13 VanDerWaalsContact O-N 3.1Å
12S31Very low47.9Very low104 Ų104141.1 Ų141.173%0.72770%0.701SS**  trans-54.1117.316046.70000105.1R10 S14R10-S12 VanDerWaalsContact C-N 3.32Å; R10-S12 PolarHBondContact O-N 2.82Å; S12-S14 PolarHBondContact O-N 2.97Å
13S37.1Very low50.6Low112 Ų112137.1 Ų137.178%0.78367%0.673SS**  trans-65.593.4173.448.70000106.5K11 N15K11-S13 PolarHBondContact O-N 3.37Å; K11-S13 VanDerWaalsContact O-N 3.1Å; S13-N15 PolarHBondContact O-N 3.28Å
14S35.8Very low53.4Low90 Ų90135.7 Ų135.763%0.62965%0.652SS**  trans-52.9132.1174.349.10000110S12 T16S12-S14 PolarHBondContact O-N 2.97Å; S14-T16 PolarHBondContact O-N 3.46Å; S14-T16 PolarHBondContact O-OG1 3.1Å
15N38.6Very low56.3Low171 Ų171127.7 Ų127.791%0.91461%0.611SS**  trans-50.347.2172.5-77.3-12000115.6S13 L17S13-N15 PolarHBondContact O-N 3.28Å; N15-L17 PolarHBondContact O-N 2.69Å
16T40.8Very low59.3Low111 Ų111120.3 Ų120.368%0.68158%0.576SS**  trans-79111.1160.4-17.10000103.7S14 R18S14-T16 PolarHBondContact O-N 3.46Å; S14-T16 PolarHBondContact O-OG1 3.1Å; T16-R18 PolarHBondContact O-N 3.38Å
17L56.8Low62.4Low134 Ų134111 Ų11170%0.70254%0.535SS*.  trans-5291.9170.4-100.8115.6000107.4N15 N19 Y70N15-L17 PolarHBondContact O-N 2.69Å; L17-N19 PolarHBondContact O-N 2.67Å; L17-Y70 HydrophobicContact CD2-CD2 4.38Å; L17-Y70 HydrophobicContact CD2-CE2 4.1Å
18R67.3Low65.5Low197 Ų197102.6 Ų102.674%0.74350%0.501SS*.  trans-68.1130.4-178.1-159.7177.7-169-165.80.8104.9T16 I20T16-R18 PolarHBondContact O-N 3.38Å; R18-I20 VanDerWaalsContact O-CG2 3.28Å; R18-I20 WeakPolarHBondContact O-CG2 3.33Å; R18-I20 PolarHBondContact O-N 2.86Å
19N86.1Confident68.6Low113 Ų11392.8 Ų92.860%0.60446%0.464SS*.  trans-56.4108.9174-176.12.2000108.3L17 V21L17-N19 PolarHBondContact O-N 2.67Å; N19-V21 WeakPolarHBondContact OD1-CB 3.19Å; N19-V21 WeakPolarHBondContact OD1-CG2 3.28Å; N19-V21 PolarHBondContact OD1-N 3.05Å
20I91.5Very high71.6Confident3 Ų385.7 Ų85.72%0.01544%0.44CS..  trans-90.4-4.9-178.560.9171.6000112.1R18 G22 C23 V43 Y54 L69 Y70 V80R18-I20 VanDerWaalsContact O-CG2 3.28Å; R18-I20 WeakPolarHBondContact O-CG2 3.33Å; R18-I20 PolarHBondContact O-N 2.86Å; I20-G22 PolarHBondContact O-N 2.81Å; I20-C23 WeakPolarHBondContact O-CA 3.42Å; I20-C23 WeakPolarHBondContact O-CB 3.41Å; I20-C23 PolarHBondContact O-N 2.83Å; I20-V43 HydrophobicContact CD1-CG2 4.14Å; I20-V43 HydrophobicContact CG1-CG1 4.37Å; I20-V43 HydrophobicContact CG1-CG2 4.33Å; I20-V43 WeakPolarHBondContact O-CB 3.29Å; I20-Y54 HydrophobicContact CD1-CD1 4.21Å; I20-Y54 HydrophobicContact CD1-CE1 3.87Å; I20-Y54 HydrophobicContact CD1-CE2 4.27Å; I20-Y54 HydrophobicContact CG1-CD1 4.2Å; I20-Y54 HydrophobicContact CG1-CE1 3.66Å; I20-L69 HydrophobicContact CD1-CD1 3.6Å; I20-Y70 HydrophobicContact CD1-CE2 4Å; I20-Y70 WeakPolarHBondContact CG2-OH 3.33Å; I20-V80 HydrophobicContact CG2-CG2 3.58Å
21V91Very high74.4Confident40 Ų4077.2 Ų77.224%0.24241%0.411CS..THydrogen-bonded Turntrans-58.8129.7175.1175.50000109.1N19 C23 V43 Q46 Y54 I128N19-V21 WeakPolarHBondContact OD1-CB 3.19Å; N19-V21 WeakPolarHBondContact OD1-CG2 3.28Å; N19-V21 PolarHBondContact OD1-N 3.05Å; V21-C23 VanDerWaalsContact C-N 3.28Å; V21-C23 PolarHBondContact O-N 3.46Å; V21-V43 HydrophobicContact CG2-CG1 4.22Å; V21-Q46 HydrophobicContact CG2-CB 3.85Å; V21-Y54 HydrophobicContact CG2-CD1 4.49Å; V21-Y54 HydrophobicContact CG2-CE1 4.46Å; V21-I128 HydrophobicContact CG1-CD1 3.24Å
22G90.3Very high77.1Confident16 Ų1672 Ų7217%0.16540%0.4CS..THydrogen-bonded Turntrans80.6-4.8-171.900000115.2I20 V43I20-G22 PolarHBondContact O-N 2.81Å; G22-V43 WeakPolarHBondContact CA-O 3.15Å; G22-V43 PolarHBondContact N-O 3.26Å
23C92.2Very high80Confident27 Ų2774.7 Ų74.718%0.18241%0.406CS..  trans-84.1150175.5-59.90000111.5I20 V21 V43 V80I20-C23 WeakPolarHBondContact O-CA 3.42Å; I20-C23 WeakPolarHBondContact O-CB 3.41Å; I20-C23 PolarHBondContact O-N 2.83Å; V21-C23 VanDerWaalsContact C-N 3.28Å; V21-C23 PolarHBondContact O-N 3.46Å; C23-V43 PolarHBondContact O-N 2.87Å; C23-V43 VanDerWaalsContact O-N 3.11Å; C23-V80 HydrophobicContact CB-CG1 3.72Å
24R94.5Very high82.7Confident66 Ų6675.3 Ų75.325%0.24940%0.397CS..EExtended strand (participates in β ladder)trans-76.5144160.1-67.4-163.865.897.616.1109.8A41 D59 L81 V85R24-A41 CarbonylContact C-O 3.56Å; R24-A41 VanDerWaalsContact CA-O 3.29Å; R24-A41 WeakPolarHBondContact CA-O 3.48Å; R24-D59 IonicContact CZ-OD1 3.52Å; R24-D59 IonicContact CZ-OD2 2.75Å; R24-D59 IonicContact NH1-OD1 3.68Å; R24-D59 PolarHBondContact NH1-OD1 3.05Å; R24-D59 IonicContact NH1-OD2 3.46Å; R24-D59 IonicContact NH2-OD1 2.7Å; R24-D59 PolarHBondContact NH2-OD1 2.77Å; R24-D59 IonicContact NH2-OD2 2.72Å; R24-D59 PolarHBondContact NH2-OD2 2.87Å; R24-L81 HydrophobicContact CB-CB 4Å; R24-L81 HydrophobicContact CB-CD1 4.11Å; R24-L81 HydrophobicContact CB-CG 4.47Å; R24-L81 PolarHBondContact O-N 2.74Å; R24-V85 HydrophobicContact CG-CG2 3.42Å; R24-V85 VanDerWaalsContact CG-CG2 3.42Å
25I95.9Very high85.6Confident0 Ų075.7 Ų75.70%040%0.397CS..EExtended strand (participates in β ladder)trans-127.9157.1175.561.7170.8000110K40 A41 V43 V56 L69 L78 K79I25-K40 WeakPolarHBondContact O-CA 3.25Å; I25-A41 HydrophobicContact CD1-CB 4.26Å; I25-A41 HydrophobicContact CG1-CB 3.88Å; I25-A41 PolarHBondContact N-O 3.26Å; I25-A41 PolarHBondContact O-N 3.23Å; I25-V43 HydrophobicContact CD1-CG2 3.94Å; I25-V43 HydrophobicContact CG1-CG2 4.3Å; I25-V43 HydrophobicContact CG2-CG2 3.92Å; I25-V56 HydrophobicContact CD1-CG1 4.37Å; I25-L69 HydrophobicContact CD1-CD1 3.9Å; I25-L69 HydrophobicContact CD1-CD2 3.96Å; I25-L78 HydrophobicContact CB-CD1 4.14Å; I25-L78 HydrophobicContact CD1-CD1 4.14Å; I25-L78 HydrophobicContact CG2-CD1 4.46Å; I25-K79 CarbonylContact C-O 3.57Å; I25-K79 VanDerWaalsContact CA-O 3.28Å; I25-K79 WeakPolarHBondContact CA-O 3.34Å
26S97.3Very high88.4Confident11 Ų1171.3 Ų71.38%0.07738%0.376CS..EExtended strand (participates in β ladder)trans-134.3142.3162.866.50000109.5W39 K79S26-W39 WeakPolarHBondContact CA-O 3.48Å; S26-K79 PolarHBondContact N-O 3.17Å; S26-K79 PolarHBondContact O-N 2.98Å
27H98.2Very high91.1Very high2 Ų268.8 Ų68.81%0.00936%0.361CS..EExtended strand (participates in β ladder)trans-150.9168.4172.463.492.4000110W39 Y58 I75 L76 L78H27-W39 PolarHBondContact N-O 2.9Å; H27-W39 VanDerWaalsContact N-O 3.07Å; H27-W39 PolarHBondContact O-N 3.03Å; H27-Y58 PolarHBondContact CE1-OH 2.86Å; H27-Y58 VanDerWaalsContact CE1-OH 3.3Å; H27-Y58 AromaticContact NE2-CE1 3.33Å; H27-Y58 VanDerWaalsContact NE2-CE1 3.33Å; H27-Y58 WeakPolarHBondContact NE2-CE1 3.38Å; H27-Y58 AromaticContact NE2-CZ 3.58Å; H27-Y58 PolarHBondContact NE2-OH 3.1Å; H27-I75 HydrophobicContact CB-CG2 3.9Å; H27-L76 WeakPolarHBondContact CB-O 3.32Å; H27-L78 HydrophobicContact CB-CB 4.39Å; H27-L78 HydrophobicContact CB-CD1 4.07Å
28C98Very high93.1Very high25 Ų2569.2 Ų69.217%0.16936%0.359CS..EExtended strand (participates in β ladder)trans-91.7150166.4-70.40000109.1V36 T37 L76C28-V36 HydrophobicContact CB-CG1 3.63Å; C28-T37 CarbonylContact C-O 3.51Å; C28-T37 VanDerWaalsContact CA-O 3.24Å; C28-T37 WeakPolarHBondContact CA-O 3.2Å; C28-L76 HydrophobicContact CB-CB 3.92Å; C28-L76 PolarHBondContact N-O 3.29Å; C28-L76 PolarHBondContact O-N 2.83Å
29W97.3Very high94.5Very high33 Ų3364.2 Ų64.213%0.12534%0.34CS..EExtended strand (participates in β ladder)trans-123.2129.8175.3179.9-96.4000109.4E31 V36 T37 R74 I75 I215W29-E31 WeakPolarHBondContact CZ2-OE2 3.47Å; W29-V36 WeakPolarHBondContact O-CA 3.4Å; W29-T37 PolarHBondContact N-O 3.1Å; W29-T37 PolarHBondContact O-N 3.19Å; W29-T37 PolarHBondContact O-OG1 2.9Å; W29-R74 CarbonylContact C-O 3.55Å; W29-R74 WeakPolarHBondContact CA-O 3.36Å; W29-R74 HydrophobicContact CD2-CB 4.14Å; W29-R74 HydrophobicContact CE3-CB 3.88Å; W29-R74 HydrophobicContact CH2-CB 3.75Å; W29-R74 HydrophobicContact CH2-CG 4.36Å; W29-R74 HydrophobicContact CZ2-CB 3.99Å; W29-R74 HydrophobicContact CZ2-CG 4.41Å; W29-R74 HydrophobicContact CZ3-CB 3.67Å; W29-I75 HydrophobicContact CE3-CG1 3.95Å; W29-I75 HydrophobicContact CZ3-CG1 3.86Å; W29-I215 HydrophobicContact CH2-CG2 3.9Å; W29-I215 HydrophobicContact CZ2-CG2 4.47Å
30K96.7Very high95.1Very high95 Ų9564 Ų6441%0.41333%0.334SS..  trans-130.6108.8175.3-171.8-180178.4-177.20109.8S32 V36 R74 L76K30-S32 WeakPolarHBondContact CE-O 3.46Å; K30-V36 HydrophobicContact CB-CG2 4.18Å; K30-V36 HydrophobicContact CD-CG2 4.1Å; K30-V36 HydrophobicContact CG-CG2 4.13Å; K30-R74 PolarHBondContact N-O 3.23Å; K30-R74 WeakPolarHBondContact O-CB 3.3Å; K30-R74 WeakPolarHBondContact O-CG 3.44Å; K30-L76 HydrophobicContact CB-CD1 4Å; K30-L76 HydrophobicContact CD-CD1 4.47Å
31E92.6Very high95.3Very high71 Ų7163.8 Ų63.833%0.33233%0.333SS..  trans-96.7108.7175.2-170.863.2-110.100109.1W29 N33 E34 R74W29-E31 WeakPolarHBondContact CZ2-OE2 3.47Å; E31-N33 PolarHBondContact O-N 2.65Å; E31-N33 VanDerWaalsContact O-N 3.07Å; E31-E34 HydrophobicContact CB-CB 4.5Å; E31-E34 VanDerWaalsContact O-CB 3.23Å; E31-E34 WeakPolarHBondContact O-CB 3.45Å; E31-E34 WeakPolarHBondContact O-CG 3.49Å; E31-E34 PolarHBondContact O-N 3.4Å; E31-R74 WeakPolarHBondContact OE2-CD 3.25Å; E31-R74 IonicContact OE2-CZ 2.86Å; E31-R74 IonicContact OE2-NE 3.64Å; E31-R74 IonicContact OE2-NH1 3.6Å; E31-R74 PolarHBondContact OE2-NH1 2.65Å; E31-R74 VanDerWaalsContact OE2-NH1 3.11Å
32S90.5Very high95.5Very high91 Ų9162.3 Ų62.364%0.63632%0.324SS*.THydrogen-bonded Turntrans50.3-115.3178.6-58.70000113.2K30K30-S32 WeakPolarHBondContact CE-O 3.46Å
33N92.3Very high95.7Very high161 Ų16161.5 Ų61.586%0.86132%0.316SS*.THydrogen-bonded Turntrans-96.63.8-179.7-70-21.8000113.5E31E31-N33 PolarHBondContact O-N 2.65Å; E31-N33 VanDerWaalsContact O-N 3.07Å
34E93.9Very high95.8Very high125 Ų12560.4 Ų60.458%0.58431%0.308SS*.SBendtrans-70.1154.7179.6-64.6-57.8133.600112.1E31E31-E34 HydrophobicContact CB-CB 4.5Å; E31-E34 VanDerWaalsContact O-CB 3.23Å; E31-E34 WeakPolarHBondContact O-CB 3.45Å; E31-E34 WeakPolarHBondContact O-CG 3.49Å; E31-E34 PolarHBondContact O-N 3.4Å
35P96.3Very high95.7Very high97 Ų9758 Ų5863%0.6330%0.304SS*.PPolyproline II helixtrans-55.2144.6173.1-24.334.2000112.3T37P35-T37 PolarHBondContact O-N 3.09Å
36V97.3Very high95.5Very high80 Ų8061.9 Ų61.949%0.48532%0.322SS..PPolyproline II helixtrans-68.5125.1174.6-179.30000109.3C28 W29 K30C28-V36 HydrophobicContact CB-CG1 3.63Å; W29-V36 WeakPolarHBondContact O-CA 3.4Å; K30-V36 HydrophobicContact CB-CG2 4.18Å; K30-V36 HydrophobicContact CD-CG2 4.1Å; K30-V36 HydrophobicContact CG-CG2 4.13Å
37T97.7Very high95.1Very high58 Ų5861.6 Ų61.636%0.35632%0.319SS..EExtended strand (participates in β ladder)trans-109151.4176.4490000110.4C28 W29 P35 W39C28-T37 CarbonylContact C-O 3.51Å; C28-T37 VanDerWaalsContact CA-O 3.24Å; C28-T37 WeakPolarHBondContact CA-O 3.2Å; W29-T37 PolarHBondContact N-O 3.1Å; W29-T37 PolarHBondContact O-N 3.19Å; W29-T37 PolarHBondContact O-OG1 2.9Å; P35-T37 PolarHBondContact O-N 3.09Å; T37-W39 PolarHBondContact OG1-NE1 2.95Å
38Q97.8Very high94.2Very high143 Ų14366.5 Ų66.567%0.66835%0.351SS*.EExtended strand (participates in β ladder)trans-109.3129.3179.3-173.8176.1-4.600110.4
39W98.1Very high93.4Very high91 Ų9168 Ų6835%0.34536%0.36SS..EExtended strand (participates in β ladder)trans-124148.8-175.3-63.992000111.6S26 H27 T37 Y58 I61S26-W39 WeakPolarHBondContact CA-O 3.48Å; H27-W39 PolarHBondContact N-O 2.9Å; H27-W39 VanDerWaalsContact N-O 3.07Å; H27-W39 PolarHBondContact O-N 3.03Å; T37-W39 PolarHBondContact OG1-NE1 2.95Å; W39-Y58 HydrophobicContact CB-CD1 3.78Å; W39-Y58 HydrophobicContact CB-CE1 3.63Å; W39-Y58 HydrophobicContact CD2-CD1 4.43Å; W39-Y58 HydrophobicContact CE3-CD1 4.11Å; W39-Y58 HydrophobicContact CG-CD1 4.34Å; W39-Y58 HydrophobicContact CG-CE1 4.24Å; W39-I61 HydrophobicContact CZ3-CG1 4.33Å
40K97.2Very high92.9Very high108 Ų10868.3 Ų68.347%0.4736%0.364SS..EExtended strand (participates in β ladder)trans-125141.3171-68.7179-176.5171.70108.6I25 D59I25-K40 WeakPolarHBondContact O-CA 3.25Å; K40-D59 VanDerWaalsContact CB-OD2 3.31Å; K40-D59 WeakPolarHBondContact CB-OD2 3.24Å; K40-D59 PolarHBondContact O-N 3.29Å
41A96Very high92.6Very high0 Ų067.6 Ų67.60%037%0.369CS..EExtended strand (participates in β ladder)trans-152.4171.6-176.500000111.8R24 I25 V56 K57 Y58R24-A41 CarbonylContact C-O 3.56Å; R24-A41 VanDerWaalsContact CA-O 3.29Å; R24-A41 WeakPolarHBondContact CA-O 3.48Å; I25-A41 HydrophobicContact CD1-CB 4.26Å; I25-A41 HydrophobicContact CG1-CB 3.88Å; I25-A41 PolarHBondContact N-O 3.26Å; I25-A41 PolarHBondContact O-N 3.23Å; A41-V56 HydrophobicContact CB-CG1 3.38Å; A41-K57 CarbonylContact C-O 3.51Å; A41-K57 WeakPolarHBondContact CA-O 3.49Å; A41-K57 VanDerWaalsContact CB-O 3.27Å; A41-K57 WeakPolarHBondContact CB-O 3.14Å; A41-Y58 HydrophobicContact CB-CD1 3.59Å; A41-Y58 HydrophobicContact CB-CE1 3.8Å; A41-Y58 HydrophobicContact CB-CG 4.07Å
42I94.6Very high92.6Very high8 Ų867.1 Ų67.14%0.04137%0.373CS..EExtended strand (participates in β ladder)trans-118136.8165.4-176.8166.3000109.9L44 K57 V85 F87 M129I42-L44 HydrophobicContact CG2-CD2 3.86Å; I42-L44 PolarHBondContact O-N 3.23Å; I42-K57 HydrophobicContact CG2-CB 3.98Å; I42-K57 PolarHBondContact N-O 2.78Å; I42-K57 PolarHBondContact O-N 3.33Å; I42-V85 HydrophobicContact CD1-CG1 4.08Å; I42-V85 HydrophobicContact CD1-CG2 4.22Å; I42-F87 HydrophobicContact CD1-CE1 3.77Å; I42-F87 HydrophobicContact CD1-CZ 4.23Å; I42-M129 HydrophobicContact CD1-CE 4.12Å; I42-M129 HydrophobicContact CD1-CG 4.34Å; I42-M129 HydrophobicContact CD1-SD 4.07Å; I42-M129 HydrophobicContact CG2-CE 3.35Å; I42-M129 HydrophobicContact CG2-SD 4.26Å
43V95Very high92.8Very high0 Ų063 Ų630%034%0.344CS..EExtended strand (participates in β ladder)trans-84.7111.8175.7-176.40000108.5I20 V21 G22 C23 I25 Y54 L55 L69I20-V43 HydrophobicContact CD1-CG2 4.14Å; I20-V43 HydrophobicContact CG1-CG1 4.37Å; I20-V43 HydrophobicContact CG1-CG2 4.33Å; I20-V43 WeakPolarHBondContact O-CB 3.29Å; V21-V43 HydrophobicContact CG2-CG1 4.22Å; G22-V43 WeakPolarHBondContact CA-O 3.15Å; G22-V43 PolarHBondContact N-O 3.26Å; C23-V43 PolarHBondContact O-N 2.87Å; C23-V43 VanDerWaalsContact O-N 3.11Å; I25-V43 HydrophobicContact CD1-CG2 3.94Å; I25-V43 HydrophobicContact CG1-CG2 4.3Å; I25-V43 HydrophobicContact CG2-CG2 3.92Å; V43-Y54 HydrophobicContact CG1-CD1 3.59Å; V43-Y54 HydrophobicContact CG1-CE1 4.46Å; V43-Y54 HydrophobicContact CG1-CG 4.19Å; V43-L55 CarbonylContact C-O 3.55Å; V43-L69 HydrophobicContact CG2-CD1 3.98Å
44L93.9Very high93Very high4 Ų455.6 Ų55.62%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-82.2-27.7-175.3-55.8-170.7000113.4I42 L55 K57 I64 V126 I128 M129 Y134I42-L44 HydrophobicContact CG2-CD2 3.86Å; I42-L44 PolarHBondContact O-N 3.23Å; L44-L55 HydrophobicContact CB-CB 4.22Å; L44-L55 PolarHBondContact N-O 3.05Å; L44-K57 HydrophobicContact CD1-CB 4.06Å; L44-K57 HydrophobicContact CD2-CB 4.12Å; L44-K57 HydrophobicContact CG-CB 4.18Å; L44-I64 HydrophobicContact CD1-CD1 3.6Å; L44-I64 HydrophobicContact CD1-CG1 4.41Å; L44-I64 HydrophobicContact CD1-CG2 4.38Å; L44-V126 HydrophobicContact CD1-CG1 4.17Å; L44-V126 HydrophobicContact CD2-CG1 4.3Å; L44-I128 WeakPolarHBondContact O-CD1 3.38Å; L44-M129 HydrophobicContact CD2-CE 3.14Å; L44-Y134 HydrophobicContact CD1-CE1 3.8Å; L44-Y134 WeakPolarHBondContact CD1-OH 3.41Å
45G92.8Very high93.1Very high15 Ų1550.2 Ų50.216%0.15528%0.279CS..EExtended strand (participates in β ladder)trans-179.7169-173.200000111.6Y54 L55G45-Y54 WeakPolarHBondContact O-CA 3.46Å; G45-L55 PolarHBondContact O-N 2.88Å
46Q92.8Very high93.1Very high81 Ų8145.6 Ų45.638%0.37925%0.249SC..EExtended strand (participates in β ladder)trans-125.2133.8174-173.8-179.238.300106.6V21 P51 Y54V21-Q46 HydrophobicContact CG2-CB 3.85Å; Q46-P51 WeakPolarHBondContact CG-O 3.22Å; Q46-P51 PolarHBondContact NE2-O 3.49Å; Q46-Y54 HydrophobicContact CB-CD1 3.99Å; Q46-Y54 HydrophobicContact CB-CE1 4Å; Q46-Y54 HydrophobicContact CG-CD1 4.09Å; Q46-Y54 HydrophobicContact CG-CE1 3.83Å; Q46-Y54 PolarHBondContact NE2-OH 2.8Å; Q46-Y54 VanDerWaalsContact NE2-OH 3.09Å
47L87.4Confident93.1Very high5 Ų543.2 Ų43.23%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-78.6130.4-174.6-73.3162.8000110.3T49 N50 L53 L55 V197 Y198L47-T49 VanDerWaalsContact C-N 3.28Å; L47-T49 PolarHBondContact O-N 2.93Å; L47-N50 CarbonylContact O-C 3.13Å; L47-N50 PolarHBondContact O-N 3.03Å; L47-N50 VanDerWaalsContact O-O 3.07Å; L47-L53 HydrophobicContact CD1-CB 4.34Å; L47-L53 HydrophobicContact CD1-CD2 3.42Å; L47-L53 VanDerWaalsContact CD1-CD2 3.42Å; L47-L53 HydrophobicContact CD1-CG 3.83Å; L47-L53 PolarHBondContact N-O 3.08Å; L47-L55 HydrophobicContact CD1-CD2 4.16Å; L47-L55 HydrophobicContact CD2-CD1 4.44Å; L47-L55 HydrophobicContact CG-CG 4.38Å; L47-V197 HydrophobicContact CD1-CB 3.89Å; L47-V197 HydrophobicContact CD1-CG1 4.48Å; L47-V197 HydrophobicContact CD1-CG2 3.82Å; L47-V197 HydrophobicContact CD2-CG2 4.46Å; L47-Y198 HydrophobicContact CD2-CD2 4.49Å
48P80.2Confident93.1Very high105 Ų10541.1 Ų41.168%0.68222%0.218SC*.THydrogen-bonded Turntrans-65.1-30.7-172.222-30.8000113.1
49T80.7Confident93Very high58 Ų5837.8 Ų37.836%0.35621%0.205SC..THydrogen-bonded Turntrans-89-8-178.658.30000114.4L47 I178 V197L47-T49 VanDerWaalsContact C-N 3.28Å; L47-T49 PolarHBondContact O-N 2.93Å; T49-I178 HydrophobicContact CG2-CG2 3.4Å; T49-V197 PolarHBondContact OG1-O 2.84Å
50N87.3Confident92.8Very high38 Ų3837.3 Ų37.320%0.20323%0.228CC..EExtended strand (participates in β ladder)trans-146.289.5168.6-176.7-0.2000108.9L47 S52 L53 E68L47-N50 CarbonylContact O-C 3.13Å; L47-N50 PolarHBondContact O-N 3.03Å; L47-N50 VanDerWaalsContact O-O 3.07Å; N50-S52 PolarHBondContact O-N 2.88Å; N50-S52 VanDerWaalsContact O-N 3.1Å; N50-S52 WeakPolarHBondContact OD1-CB 3.48Å; N50-S52 PolarHBondContact OD1-N 3.38Å; N50-L53 HydrophobicContact CB-CB 4.03Å; N50-L53 WeakPolarHBondContact O-CB 3.28Å; N50-L53 PolarHBondContact O-N 3.07Å; N50-E68 PolarHBondContact ND2-OE1 3.49Å; N50-E68 VanDerWaalsContact ND2-OE1 3.08Å
51P90Very high92.8Very high80 Ų8034.6 Ų34.652%0.51922%0.218SC..EExtended strand (participates in β ladder)trans-59.6-21.8-179.5-25.735000113.9Q46 L53Q46-P51 WeakPolarHBondContact CG-O 3.22Å; Q46-P51 PolarHBondContact NE2-O 3.49Å; P51-L53 PolarHBondContact O-N 2.93Å
52S92.4Very high92.8Very high61 Ų6137.9 Ų37.943%0.42724%0.236SC..EExtended strand (participates in β ladder)trans-70.8-22.2174.6-59.80000112.3N50 Y54 E68N50-S52 PolarHBondContact O-N 2.88Å; N50-S52 VanDerWaalsContact O-N 3.1Å; N50-S52 WeakPolarHBondContact OD1-CB 3.48Å; N50-S52 PolarHBondContact OD1-N 3.38Å; S52-Y54 WeakPolarHBondContact O-CD2 3.06Å; S52-Y54 WeakPolarHBondContact O-CE2 3.49Å; S52-E68 VanDerWaalsContact O-CA 3.25Å; S52-E68 WeakPolarHBondContact O-CA 3.3Å
53L94.6Very high92.9Very high4 Ų438.4 Ų38.42%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-94.1116.5-172.5-168.167.7000111.9L47 N50 P51 G66 E68 V197 K210L47-L53 HydrophobicContact CD1-CB 4.34Å; L47-L53 HydrophobicContact CD1-CD2 3.42Å; L47-L53 VanDerWaalsContact CD1-CD2 3.42Å; L47-L53 HydrophobicContact CD1-CG 3.83Å; L47-L53 PolarHBondContact N-O 3.08Å; N50-L53 HydrophobicContact CB-CB 4.03Å; N50-L53 WeakPolarHBondContact O-CB 3.28Å; N50-L53 PolarHBondContact O-N 3.07Å; P51-L53 PolarHBondContact O-N 2.93Å; L53-G66 VanDerWaalsContact CD1-C 3.46Å; L53-E68 HydrophobicContact CB-CG 4.44Å; L53-E68 HydrophobicContact CD1-CG 3.88Å; L53-V197 HydrophobicContact CD2-CG1 4.11Å; L53-K210 HydrophobicContact CD1-CG 4.44Å; L53-K210 HydrophobicContact CD2-CB 4.14Å; L53-K210 HydrophobicContact CD2-CG 3.91Å
54Y96.3Very high93.1Very high6 Ų638.5 Ų38.52%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-102.6143.8177.6-64.6-86000111.4I20 V21 V43 G45 Q46 S52 G66 Q67 L69 Y70I20-Y54 HydrophobicContact CD1-CD1 4.21Å; I20-Y54 HydrophobicContact CD1-CE1 3.87Å; I20-Y54 HydrophobicContact CD1-CE2 4.27Å; I20-Y54 HydrophobicContact CG1-CD1 4.2Å; I20-Y54 HydrophobicContact CG1-CE1 3.66Å; V21-Y54 HydrophobicContact CG2-CD1 4.49Å; V21-Y54 HydrophobicContact CG2-CE1 4.46Å; V43-Y54 HydrophobicContact CG1-CD1 3.59Å; V43-Y54 HydrophobicContact CG1-CE1 4.46Å; V43-Y54 HydrophobicContact CG1-CG 4.19Å; G45-Y54 WeakPolarHBondContact O-CA 3.46Å; Q46-Y54 HydrophobicContact CB-CD1 3.99Å; Q46-Y54 HydrophobicContact CB-CE1 4Å; Q46-Y54 HydrophobicContact CG-CD1 4.09Å; Q46-Y54 HydrophobicContact CG-CE1 3.83Å; Q46-Y54 PolarHBondContact NE2-OH 2.8Å; Q46-Y54 VanDerWaalsContact NE2-OH 3.09Å; S52-Y54 WeakPolarHBondContact O-CD2 3.06Å; S52-Y54 WeakPolarHBondContact O-CE2 3.49Å; Y54-G66 CarbonylContact O-C 3.55Å; Y54-G66 WeakPolarHBondContact O-CA 3.4Å; Y54-Q67 PolarHBondContact N-O 3.17Å; Y54-Q67 PolarHBondContact O-N 2.89Å; Y54-L69 HydrophobicContact CD1-CD1 4.49Å; Y54-L69 HydrophobicContact CD2-CB 3.99Å; Y54-L69 HydrophobicContact CD2-CD1 3.73Å; Y54-L69 HydrophobicContact CD2-CG 3.81Å; Y54-L69 HydrophobicContact CE2-CB 4.34Å; Y54-L69 HydrophobicContact CE2-CD1 4.41Å; Y54-L69 HydrophobicContact CG-CD1 3.76Å; Y54-L69 HydrophobicContact CG-CG 4.22Å; Y54-Y70 HydrophobicContact CE2-CD2 4.03Å; Y54-Y70 AromaticContact CE2-CE2 3.98Å; Y54-Y70 HydrophobicContact CE2-CE2 3.98Å
55L96.8Very high93.3Very high12 Ų1239.8 Ų39.86%0.06325%0.246CC..EExtended strand (participates in β ladder)trans-86.5124165.2-63.4-179.1000108.8V43 L44 G45 L47 I64 Y65 I217V43-L55 CarbonylContact C-O 3.55Å; L44-L55 HydrophobicContact CB-CB 4.22Å; L44-L55 PolarHBondContact N-O 3.05Å; G45-L55 PolarHBondContact O-N 2.88Å; L47-L55 HydrophobicContact CD1-CD2 4.16Å; L47-L55 HydrophobicContact CD2-CD1 4.44Å; L47-L55 HydrophobicContact CG-CG 4.38Å; L55-I64 HydrophobicContact CB-CG2 4.22Å; L55-I64 HydrophobicContact CD2-CG2 4.28Å; L55-Y65 CarbonylContact C-O 2.98Å; L55-Y65 WeakPolarHBondContact CA-O 3.12Å; L55-I217 HydrophobicContact CD2-CD1 4.13Å; L55-I217 HydrophobicContact CD2-CG1 3.81Å
56V96.9Very high93.5Very high0 Ų039.1 Ų39.10%024%0.239CC..EExtended strand (participates in β ladder)trans-128.8129.8-169.8-175.10000109.7I25 A41 Y58 Y65 L69I25-V56 HydrophobicContact CD1-CG1 4.37Å; A41-V56 HydrophobicContact CB-CG1 3.38Å; V56-Y58 HydrophobicContact CB-CE2 4.42Å; V56-Y58 HydrophobicContact CG1-CD2 4.25Å; V56-Y58 HydrophobicContact CG1-CE1 4.43Å; V56-Y58 HydrophobicContact CG1-CE2 3.85Å; V56-Y65 PolarHBondContact N-O 3.21Å; V56-Y65 PolarHBondContact O-N 2.63Å; V56-L69 HydrophobicContact CG2-CD1 4.27Å; V56-L69 HydrophobicContact CG2-CD2 4.2Å; V56-L69 HydrophobicContact CG2-CG 4.47Å
57K96.7Very high93.6Very high30 Ų3035.4 Ų35.413%0.1322%0.221CC..EExtended strand (participates in β ladder)trans-108.2115.7169.9-168.6-174.3-164.6-47.80109.6A41 I42 L44 I61 I64 M129 L132A41-K57 CarbonylContact C-O 3.51Å; A41-K57 WeakPolarHBondContact CA-O 3.49Å; A41-K57 VanDerWaalsContact CB-O 3.27Å; A41-K57 WeakPolarHBondContact CB-O 3.14Å; I42-K57 HydrophobicContact CG2-CB 3.98Å; I42-K57 PolarHBondContact N-O 2.78Å; I42-K57 PolarHBondContact O-N 3.33Å; L44-K57 HydrophobicContact CD1-CB 4.06Å; L44-K57 HydrophobicContact CD2-CB 4.12Å; L44-K57 HydrophobicContact CG-CB 4.18Å; K57-I61 PolarHBondContact NZ-O 2.89Å; K57-I64 HydrophobicContact CB-CD1 3.78Å; K57-I64 HydrophobicContact CD-CD1 4.32Å; K57-I64 HydrophobicContact CG-CD1 3.83Å; K57-M129 HydrophobicContact CD-CE 4.08Å; K57-L132 HydrophobicContact CD-CD1 3.81Å
58Y97.3Very high94Very high14 Ų1438.6 Ų38.66%0.05524%0.236CC..EExtended strand (participates in β ladder)trans-80.2150.1176.7-73-81.6000111.8H27 W39 A41 V56 G60 I61 Y65 Q67H27-Y58 PolarHBondContact CE1-OH 2.86Å; H27-Y58 VanDerWaalsContact CE1-OH 3.3Å; H27-Y58 AromaticContact NE2-CE1 3.33Å; H27-Y58 VanDerWaalsContact NE2-CE1 3.33Å; H27-Y58 WeakPolarHBondContact NE2-CE1 3.38Å; H27-Y58 AromaticContact NE2-CZ 3.58Å; H27-Y58 PolarHBondContact NE2-OH 3.1Å; W39-Y58 HydrophobicContact CB-CD1 3.78Å; W39-Y58 HydrophobicContact CB-CE1 3.63Å; W39-Y58 HydrophobicContact CD2-CD1 4.43Å; W39-Y58 HydrophobicContact CE3-CD1 4.11Å; W39-Y58 HydrophobicContact CG-CD1 4.34Å; W39-Y58 HydrophobicContact CG-CE1 4.24Å; A41-Y58 HydrophobicContact CB-CD1 3.59Å; A41-Y58 HydrophobicContact CB-CE1 3.8Å; A41-Y58 HydrophobicContact CB-CG 4.07Å; V56-Y58 HydrophobicContact CB-CE2 4.42Å; V56-Y58 HydrophobicContact CG1-CD2 4.25Å; V56-Y58 HydrophobicContact CG1-CE1 4.43Å; V56-Y58 HydrophobicContact CG1-CE2 3.85Å; Y58-G60 PolarHBondContact O-N 2.75Å; Y58-I61 PolarHBondContact O-N 3.46Å; Y58-Y65 AromaticContact CD2-CD2 3.47Å; Y58-Y65 HydrophobicContact CD2-CD2 3.47Å; Y58-Y65 VanDerWaalsContact CD2-CD2 3.47Å; Y58-Y65 AromaticContact CD2-CE2 3.88Å; Y58-Y65 HydrophobicContact CD2-CE2 3.88Å; Y58-Y65 HydrophobicContact CD2-CG 4.16Å; Y58-Y65 AromaticContact CE2-CD2 3.86Å; Y58-Y65 HydrophobicContact CE2-CD2 3.86Å; Y58-Y65 HydrophobicContact CE2-CG 4.07Å; Y58-Q67 PolarHBondContact OH-OE1 3.04Å
59D95.4Very high94.7Very high73 Ų7333.7 Ų33.739%0.3921%0.205SC..THydrogen-bonded Turntrans-62.3130.9174.7-71.3-6.6000110.2R24 K40 I61R24-D59 IonicContact CZ-OD1 3.52Å; R24-D59 IonicContact CZ-OD2 2.75Å; R24-D59 IonicContact NH1-OD1 3.68Å; R24-D59 PolarHBondContact NH1-OD1 3.05Å; R24-D59 IonicContact NH1-OD2 3.46Å; R24-D59 IonicContact NH2-OD1 2.7Å; R24-D59 PolarHBondContact NH2-OD1 2.77Å; R24-D59 IonicContact NH2-OD2 2.72Å; R24-D59 PolarHBondContact NH2-OD2 2.87Å; K40-D59 VanDerWaalsContact CB-OD2 3.31Å; K40-D59 WeakPolarHBondContact CB-OD2 3.24Å; K40-D59 PolarHBondContact O-N 3.29Å; D59-I61 PolarHBondContact O-N 2.83Å
60G94.9Very high95.4Very high81 Ų8136.7 Ų36.784%0.83521%0.21SC*.THydrogen-bonded Turntrans73.26.9179.300000115.3Y58Y58-G60 PolarHBondContact O-N 2.75Å
61I96.4Very high95.7Very high51 Ų5137.9 Ų37.926%0.26222%0.221SC..  trans-121.9132.1178.5-50.1-66.2000109.9W39 K57 Y58 D59 Y65W39-I61 HydrophobicContact CZ3-CG1 4.33Å; K57-I61 PolarHBondContact NZ-O 2.89Å; Y58-I61 PolarHBondContact O-N 3.46Å; D59-I61 PolarHBondContact O-N 2.83Å; I61-Y65 HydrophobicContact CG2-CE2 3.72Å
62D96.7Very high96Very high70 Ų7035.3 Ų35.337%0.37420%0.203SC..  trans-85.5-27.6-176.7-59.7-29.5000113.2Y144 A145 Y146D62-Y144 HydrophobicContact CB-CD1 4.21Å; D62-Y144 WeakPolarHBondContact O-CA 3.26Å; D62-A145 PolarHBondContact O-N 2.95Å; D62-Y146 HydrophobicContact CB-CE1 3.77Å; D62-Y146 HydrophobicContact CB-CE2 4.14Å; D62-Y146 VanDerWaalsContact CB-CZ 3.46Å; D62-Y146 WeakPolarHBondContact CB-OH 3.42Å; D62-Y146 VanDerWaalsContact CG-OH 3.31Å; D62-Y146 WeakPolarHBondContact OD2-CE1 3.44Å; D62-Y146 PolarHBondContact OD2-OH 3.48Å
63S97.6Very high96.1Very high19 Ų1939.7 Ų39.713%0.13322%0.222CC..BIsolated β-bridgetrans-66143.6176.7-58.60000112Y65 Y144S63-Y65 WeakPolarHBondContact O-CD2 3.39Å; S63-Y65 WeakPolarHBondContact O-CE2 3.4Å; S63-Y144 VanDerWaalsContact OG-CE1 3.26Å; S63-Y144 WeakPolarHBondContact OG-CE1 3.35Å
64I97.9Very high96.2Very high1 Ų142 Ų421%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-98.7128.6173.2-57.2-55.5000109.4L44 L55 K57 Y134 L143 A145L44-I64 HydrophobicContact CD1-CD1 3.6Å; L44-I64 HydrophobicContact CD1-CG1 4.41Å; L44-I64 HydrophobicContact CD1-CG2 4.38Å; L55-I64 HydrophobicContact CB-CG2 4.22Å; L55-I64 HydrophobicContact CD2-CG2 4.28Å; K57-I64 HydrophobicContact CB-CD1 3.78Å; K57-I64 HydrophobicContact CD-CD1 4.32Å; K57-I64 HydrophobicContact CG-CD1 3.83Å; I64-Y134 HydrophobicContact CD1-CE1 4.35Å; I64-Y134 HydrophobicContact CG1-CD1 4.12Å; I64-Y134 HydrophobicContact CG1-CE1 3.88Å; I64-Y134 HydrophobicContact CG2-CE1 4.36Å; I64-L143 HydrophobicContact CB-CB 4.32Å; I64-L143 HydrophobicContact CB-CD2 3.92Å; I64-L143 HydrophobicContact CB-CG 3.94Å; I64-L143 HydrophobicContact CG1-CD2 4.47Å; I64-L143 HydrophobicContact CG1-CG 4.23Å; I64-L143 HydrophobicContact CG2-CD2 3.85Å; I64-L143 HydrophobicContact CG2-CG 4.44Å; I64-L143 PolarHBondContact N-O 2.99Å; I64-A145 HydrophobicContact CD1-CB 3.66Å; I64-A145 HydrophobicContact CG1-CB 3.97Å
65Y97.7Very high96.2Very high31 Ų3142.6 Ų42.612%0.12223%0.234CC..EExtended strand (participates in β ladder)trans-105.4141.7-176.4-63.5-88000110.9L55 V56 Y58 I61 S63 I215 H216L55-Y65 CarbonylContact C-O 2.98Å; L55-Y65 WeakPolarHBondContact CA-O 3.12Å; V56-Y65 PolarHBondContact N-O 3.21Å; V56-Y65 PolarHBondContact O-N 2.63Å; Y58-Y65 AromaticContact CD2-CD2 3.47Å; Y58-Y65 HydrophobicContact CD2-CD2 3.47Å; Y58-Y65 VanDerWaalsContact CD2-CD2 3.47Å; Y58-Y65 AromaticContact CD2-CE2 3.88Å; Y58-Y65 HydrophobicContact CD2-CE2 3.88Å; Y58-Y65 HydrophobicContact CD2-CG 4.16Å; Y58-Y65 AromaticContact CE2-CD2 3.86Å; Y58-Y65 HydrophobicContact CE2-CD2 3.86Å; Y58-Y65 HydrophobicContact CE2-CG 4.07Å; I61-Y65 HydrophobicContact CG2-CE2 3.72Å; S63-Y65 WeakPolarHBondContact O-CD2 3.39Å; S63-Y65 WeakPolarHBondContact O-CE2 3.4Å; Y65-I215 CarbonylContact C-O 3.59Å; Y65-I215 WeakPolarHBondContact CA-O 3.43Å; Y65-I215 HydrophobicContact CD1-CB 3.92Å; Y65-I215 HydrophobicContact CD1-CD1 3.53Å; Y65-I215 HydrophobicContact CD1-CG1 3.58Å; Y65-I215 HydrophobicContact CE1-CD1 3.5Å; Y65-I215 VanDerWaalsContact CE1-CD1 3.5Å; Y65-I215 HydrophobicContact CE1-CG1 3.8Å; Y65-H216 AromaticContact CE1-CD2 3.73Å; Y65-H216 AromaticContact CE1-CE1 4Å; Y65-H216 AromaticContact CE1-NE2 3.49Å; Y65-H216 WeakPolarHBondContact CE1-NE2 3.44Å
66G96.8Very high96.2Very high1 Ų145.2 Ų45.21%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-101.8111171.200000109.4L53 Y54 K210 I215L53-G66 VanDerWaalsContact CD1-C 3.46Å; Y54-G66 CarbonylContact O-C 3.55Å; Y54-G66 WeakPolarHBondContact O-CA 3.4Å; G66-K210 WeakPolarHBondContact O-CE 3.39Å; G66-I215 PolarHBondContact N-O 2.8Å
67Q95.8Very high96.2Very high3 Ų350.9 Ų50.91%0.01428%0.278CS..EExtended strand (participates in β ladder)trans-137.6138.5-171.5-139.9158.743.900113.8Y54 Y58 L69 I75Y54-Q67 PolarHBondContact N-O 3.17Å; Y54-Q67 PolarHBondContact O-N 2.89Å; Y58-Q67 PolarHBondContact OH-OE1 3.04Å; Q67-L69 HydrophobicContact CB-CD2 4.27Å; Q67-L69 PolarHBondContact O-N 2.93Å; Q67-I75 HydrophobicContact CG-CD1 3.88Å
68E95.3Very high96.2Very high72 Ų7251.6 Ų51.634%0.33628%0.283SS..  trans-89.178.9175.5-55.5-170.7164.300110.1N50 S52 L53 Y70 S71 D72N50-E68 PolarHBondContact ND2-OE1 3.49Å; N50-E68 VanDerWaalsContact ND2-OE1 3.08Å; S52-E68 VanDerWaalsContact O-CA 3.25Å; S52-E68 WeakPolarHBondContact O-CA 3.3Å; L53-E68 HydrophobicContact CB-CG 4.44Å; L53-E68 HydrophobicContact CD1-CG 3.88Å; E68-Y70 PolarHBondContact O-N 3.21Å; E68-S71 WeakPolarHBondContact CB-OG 3.24Å; E68-S71 PolarHBondContact O-N 2.97Å; E68-S71 PolarHBondContact OE2-OG 3.11Å; E68-D72 WeakPolarHBondContact O-CB 3.27Å; E68-D72 PolarHBondContact O-N 3.3Å
69L96.1Very high96.2Very high3 Ų357.1 Ų57.12%0.01631%0.307CS..THydrogen-bonded Turntrans-54.2-26-164.9-68.3176.2000115.6I20 I25 V43 Y54 V56 Q67 I75 L78I20-L69 HydrophobicContact CD1-CD1 3.6Å; I25-L69 HydrophobicContact CD1-CD1 3.9Å; I25-L69 HydrophobicContact CD1-CD2 3.96Å; V43-L69 HydrophobicContact CG2-CD1 3.98Å; Y54-L69 HydrophobicContact CD1-CD1 4.49Å; Y54-L69 HydrophobicContact CD2-CB 3.99Å; Y54-L69 HydrophobicContact CD2-CD1 3.73Å; Y54-L69 HydrophobicContact CD2-CG 3.81Å; Y54-L69 HydrophobicContact CE2-CB 4.34Å; Y54-L69 HydrophobicContact CE2-CD1 4.41Å; Y54-L69 HydrophobicContact CG-CD1 3.76Å; Y54-L69 HydrophobicContact CG-CG 4.22Å; V56-L69 HydrophobicContact CG2-CD1 4.27Å; V56-L69 HydrophobicContact CG2-CD2 4.2Å; V56-L69 HydrophobicContact CG2-CG 4.47Å; Q67-L69 HydrophobicContact CB-CD2 4.27Å; Q67-L69 PolarHBondContact O-N 2.93Å; L69-I75 HydrophobicContact CD2-CD1 3.79Å; L69-L78 HydrophobicContact CB-CD2 4.04Å
70Y95Very high96.1Very high121 Ų12156.7 Ų56.748%0.47531%0.307SS..THydrogen-bonded Turntrans-101.4-13.6-177.4-63.6-75.2000114.3L17 I20 Y54 E68 L78L17-Y70 HydrophobicContact CD2-CD2 4.38Å; L17-Y70 HydrophobicContact CD2-CE2 4.1Å; I20-Y70 HydrophobicContact CD1-CE2 4Å; I20-Y70 WeakPolarHBondContact CG2-OH 3.33Å; Y54-Y70 HydrophobicContact CE2-CD2 4.03Å; Y54-Y70 AromaticContact CE2-CE2 3.98Å; Y54-Y70 HydrophobicContact CE2-CE2 3.98Å; E68-Y70 PolarHBondContact O-N 3.21Å; Y70-L78 HydrophobicContact CD1-CD2 4Å; Y70-L78 HydrophobicContact CE1-CD2 3.77Å
71S94.3Very high95.9Very high62 Ų6255.1 Ų55.143%0.43428%0.279SS..THydrogen-bonded Turntrans-122.5-11.1-174.5490000114.1E68 D73E68-S71 WeakPolarHBondContact CB-OG 3.24Å; E68-S71 PolarHBondContact O-N 2.97Å; E68-S71 PolarHBondContact OE2-OG 3.11Å; S71-D73 PolarHBondContact O-N 2.9Å
72D94.9Very high95.2Very high27 Ų2757.2 Ų57.214%0.14430%0.296CS..  trans-75.4110.2174.6-166.3-34.3000110.2E68 R74 I75E68-D72 WeakPolarHBondContact O-CB 3.27Å; E68-D72 PolarHBondContact O-N 3.3Å; D72-R74 PolarHBondContact O-N 3.24Å; D72-R74 VanDerWaalsContact OD1-CB 3.3Å; D72-R74 WeakPolarHBondContact OD1-CB 3.21Å; D72-R74 WeakPolarHBondContact OD1-CG 3.31Å; D72-R74 IonicContact OD1-CZ 3.56Å; D72-R74 PolarHBondContact OD1-N 2.79Å; D72-R74 VanDerWaalsContact OD1-N 3.1Å; D72-R74 IonicContact OD1-NE 3.61Å; D72-R74 PolarHBondContact OD1-NE 2.91Å; D72-R74 IonicContact OD1-NH2 3.12Å; D72-R74 IonicContact OD2-CZ 3.97Å; D72-R74 IonicContact OD2-NE 2.84Å; D72-R74 PolarHBondContact OD2-NE 2.95Å; D72-R74 IonicContact OD2-NH2 3.98Å; D72-R74 PolarHBondContact OD2-NH2 2.88Å; D72-I75 HydrophobicContact CB-CD1 4.03Å; D72-I75 HydrophobicContact CB-CG1 4.16Å; D72-I75 WeakPolarHBondContact O-CB 3.5Å; D72-I75 PolarHBondContact O-N 2.64Å
73D95Very high93.8Very high153 Ų15359.1 Ų59.182%0.81831%0.312SS*.THydrogen-bonded Turntrans-59.9-17.9-177.5-67.1-33.5000113.9S71 I75S71-D73 PolarHBondContact O-N 2.9Å; D73-I75 VanDerWaalsContact C-N 3.27Å
74R96.3Very high92.2Very high52 Ų5264.8 Ų64.820%0.19634%0.34CS..THydrogen-bonded Turntrans-76-19.2175.4-59171.8-70-177.4-1.6112W29 K30 E31 D72W29-R74 CarbonylContact C-O 3.55Å; W29-R74 WeakPolarHBondContact CA-O 3.36Å; W29-R74 HydrophobicContact CD2-CB 4.14Å; W29-R74 HydrophobicContact CE3-CB 3.88Å; W29-R74 HydrophobicContact CH2-CB 3.75Å; W29-R74 HydrophobicContact CH2-CG 4.36Å; W29-R74 HydrophobicContact CZ2-CB 3.99Å; W29-R74 HydrophobicContact CZ2-CG 4.41Å; W29-R74 HydrophobicContact CZ3-CB 3.67Å; K30-R74 PolarHBondContact N-O 3.23Å; K30-R74 WeakPolarHBondContact O-CB 3.3Å; K30-R74 WeakPolarHBondContact O-CG 3.44Å; E31-R74 WeakPolarHBondContact OE2-CD 3.25Å; E31-R74 IonicContact OE2-CZ 2.86Å; E31-R74 IonicContact OE2-NE 3.64Å; E31-R74 IonicContact OE2-NH1 3.6Å; E31-R74 PolarHBondContact OE2-NH1 2.65Å; E31-R74 VanDerWaalsContact OE2-NH1 3.11Å; D72-R74 PolarHBondContact O-N 3.24Å; D72-R74 VanDerWaalsContact OD1-CB 3.3Å; D72-R74 WeakPolarHBondContact OD1-CB 3.21Å; D72-R74 WeakPolarHBondContact OD1-CG 3.31Å; D72-R74 IonicContact OD1-CZ 3.56Å; D72-R74 PolarHBondContact OD1-N 2.79Å; D72-R74 VanDerWaalsContact OD1-N 3.1Å; D72-R74 IonicContact OD1-NE 3.61Å; D72-R74 PolarHBondContact OD1-NE 2.91Å; D72-R74 IonicContact OD1-NH2 3.12Å; D72-R74 IonicContact OD2-CZ 3.97Å; D72-R74 IonicContact OD2-NE 2.84Å; D72-R74 PolarHBondContact OD2-NE 2.95Å; D72-R74 IonicContact OD2-NH2 3.98Å; D72-R74 PolarHBondContact OD2-NH2 2.88Å
75I96.8Very high90.6Very high18 Ų1866.9 Ų66.99%0.09235%0.352CS..EExtended strand (participates in β ladder)trans-87.8116.3178.3-64.4179.3000109.5H27 W29 Q67 L69 D72 D73 L78H27-I75 HydrophobicContact CB-CG2 3.9Å; W29-I75 HydrophobicContact CE3-CG1 3.95Å; W29-I75 HydrophobicContact CZ3-CG1 3.86Å; Q67-I75 HydrophobicContact CG-CD1 3.88Å; L69-I75 HydrophobicContact CD2-CD1 3.79Å; D72-I75 HydrophobicContact CB-CD1 4.03Å; D72-I75 HydrophobicContact CB-CG1 4.16Å; D72-I75 WeakPolarHBondContact O-CB 3.5Å; D72-I75 PolarHBondContact O-N 2.64Å; D73-I75 VanDerWaalsContact C-N 3.27Å; I75-L78 HydrophobicContact CG2-CB 4.23Å
76L96.8Very high89.3Confident67 Ų6771.6 Ų71.635%0.35138%0.384SS..EExtended strand (participates in β ladder)trans-115.9148.7178.6-53.7175.8000110H27 C28 K30 L78H27-L76 WeakPolarHBondContact CB-O 3.32Å; C28-L76 HydrophobicContact CB-CB 3.92Å; C28-L76 PolarHBondContact N-O 3.29Å; C28-L76 PolarHBondContact O-N 2.83Å; K30-L76 HydrophobicContact CB-CD1 4Å; K30-L76 HydrophobicContact CD-CD1 4.47Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 2.99Å
77N96.5Very high88.3Confident119 Ų11975 Ų7564%0.63640%0.398SS*.EExtended strand (participates in β ladder)trans53.341.5172-61.4-38.7000114.6K79N77-K79 PolarHBondContact O-N 3.03Å
78L97.4Very high87.3Confident46 Ų4677.5 Ų77.524%0.24142%0.415CS..EExtended strand (participates in β ladder)trans-57.9124.5176.1179.966.2000111I25 H27 L69 Y70 I75 L76I25-L78 HydrophobicContact CB-CD1 4.14Å; I25-L78 HydrophobicContact CD1-CD1 4.14Å; I25-L78 HydrophobicContact CG2-CD1 4.46Å; H27-L78 HydrophobicContact CB-CB 4.39Å; H27-L78 HydrophobicContact CB-CD1 4.07Å; L69-L78 HydrophobicContact CB-CD2 4.04Å; Y70-L78 HydrophobicContact CD1-CD2 4Å; Y70-L78 HydrophobicContact CE1-CD2 3.77Å; I75-L78 HydrophobicContact CG2-CB 4.23Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 2.99Å
79K95.9Very high86.4Confident130 Ų13081.5 Ų81.557%0.56543%0.434SS*.EExtended strand (participates in β ladder)trans-128128.3177.1-66170.6-172.3175.60109.5I25 S26 N77I25-K79 CarbonylContact C-O 3.57Å; I25-K79 VanDerWaalsContact CA-O 3.28Å; I25-K79 WeakPolarHBondContact CA-O 3.34Å; S26-K79 PolarHBondContact N-O 3.17Å; S26-K79 PolarHBondContact O-N 2.98Å; N77-K79 PolarHBondContact O-N 3.03Å
80V94.2Very high85.5Confident63 Ų6383.2 Ų83.238%0.38244%0.444SS..EExtended strand (participates in β ladder)trans-80.9120166.5-174.90000107.7I20 C23I20-V80 HydrophobicContact CG2-CG2 3.58Å; C23-V80 HydrophobicContact CB-CG1 3.72Å
81L91.6Very high84.8Confident49 Ų4984 Ų8426%0.25745%0.446SS..PPolyproline II helixtrans-80.8152.3-179.8-58.1-179.7000109.9R24R24-L81 HydrophobicContact CB-CB 4Å; R24-L81 HydrophobicContact CB-CD1 4.11Å; R24-L81 HydrophobicContact CB-CG 4.47Å; R24-L81 PolarHBondContact O-N 2.74Å
82P80.3Confident84.6Confident94 Ų9483.8 Ų83.861%0.6144%0.441SS*.PPolyproline II helixtrans-54.2139.7176.9-2231.5000111.2I84P82-I84 PolarHBondContact O-N 2.79Å
83P68.5Low84.4Confident111 Ų11185.6 Ų85.672%0.72146%0.459SS*.  trans-66.3110.6-179.925.2-31.8000109.9
84I62.8Low84.3Confident138 Ų13885 Ų8571%0.70845%0.451SS*.  trans-121.9-3.6171.6-58.1173.3000110.3P82 V86P82-I84 PolarHBondContact O-N 2.79Å; I84-V86 PolarHBondContact O-N 2.84Å
85V64.9Low84.2Confident45 Ų4583.7 Ų83.727%0.27345%0.448SS..  trans-76.6100.7-173.7-162.80000109.7R24 I42 F87R24-V85 HydrophobicContact CG-CG2 3.42Å; R24-V85 VanDerWaalsContact CG-CG2 3.42Å; I42-V85 HydrophobicContact CD1-CG1 4.08Å; I42-V85 HydrophobicContact CD1-CG2 4.22Å; V85-F87 HydrophobicContact CB-CE1 3.91Å; V85-F87 HydrophobicContact CB-CZ 3.88Å; V85-F87 HydrophobicContact CG1-CD1 3.73Å; V85-F87 HydrophobicContact CG1-CE1 3.28Å; V85-F87 HydrophobicContact CG1-CZ 3.8Å; V85-F87 PolarHBondContact O-N 3.26Å
86V71Confident84Confident130 Ų13083 Ų8379%0.78844%0.444SS*.  trans-77.3114.4163-179.50000106.3I84I84-V86 PolarHBondContact O-N 2.84Å
87F74.1Confident83.8Confident71 Ų7188.9 Ų88.931%0.31146%0.462SS..PPolyproline II helixtrans-79.2123.5177.9-62-63.9000109.7I42 V85 I128 M129I42-F87 HydrophobicContact CD1-CE1 3.77Å; I42-F87 HydrophobicContact CD1-CZ 4.23Å; V85-F87 HydrophobicContact CB-CE1 3.91Å; V85-F87 HydrophobicContact CB-CZ 3.88Å; V85-F87 HydrophobicContact CG1-CD1 3.73Å; V85-F87 HydrophobicContact CG1-CE1 3.28Å; V85-F87 HydrophobicContact CG1-CZ 3.8Å; V85-F87 PolarHBondContact O-N 3.26Å; F87-I128 WeakPolarHBondContact CB-O 3.49Å; F87-I128 HydrophobicContact CD1-CG2 3.8Å; F87-I128 WeakPolarHBondContact CD1-O 3.45Å; F87-I128 HydrophobicContact CD2-CG2 4.16Å; F87-I128 HydrophobicContact CE1-CG2 3.27Å; F87-I128 HydrophobicContact CE2-CG2 3.66Å; F87-I128 HydrophobicContact CG-CG2 4.23Å; F87-I128 VanDerWaalsContact CG-O 3.24Å; F87-I128 WeakPolarHBondContact CG-O 3.35Å; F87-I128 HydrophobicContact CZ-CG2 3.18Å; F87-M129 HydrophobicContact CD1-CG 3.85Å; F87-M129 HydrophobicContact CE1-CG 3.94Å
88P74.9Confident83.7Confident56 Ų5685.5 Ų85.536%0.36445%0.45SS..PPolyproline II helixtrans-63.5144.5177.824.3-31.1000110.8D131P88-D131 HydrophobicContact CG-CB 3.76Å; P88-D131 WeakPolarHBondContact CG-OD1 3.39Å
89Q77.6Confident83.5Confident157 Ų15783.3 Ų83.373%0.73444%0.439SS*.PPolyproline II helixtrans-73.9153.1171.8-67.5-67-19.200110.2R91Q89-R91 PolarHBondContact O-N 3Å
90V76.4Confident83.5Confident38 Ų3879.2 Ų79.223%0.2343%0.425CS..PPolyproline II helixtrans-64.9121.6175.2-177.30000109A93 A96 K130V90-A93 HydrophobicContact CG1-CB 4.22Å; V90-A96 HydrophobicContact CG1-CB 4.04Å; V90-K130 HydrophobicContact CG2-CB 3.51Å; V90-K130 HydrophobicContact CG2-CD 3.72Å; V90-K130 HydrophobicContact CG2-CG 4.26Å
91R80.7Confident83.4Confident138 Ų13877.6 Ų77.652%0.52142%0.421SS..SBendtrans-75.9-33.3-179.5-69.5178-68.7156.34.3113.1Q89 D150Q89-R91 PolarHBondContact O-N 3Å; R91-D150 IonicContact CZ-OD1 3.97Å; R91-D150 IonicContact CZ-OD2 3.38Å; R91-D150 IonicContact NH1-OD1 3.62Å; R91-D150 PolarHBondContact NH1-OD1 2.91Å; R91-D150 IonicContact NH1-OD2 3.44Å; R91-D150 IonicContact NH2-OD1 2.65Å; R91-D150 PolarHBondContact NH2-OD1 2.92Å; R91-D150 IonicContact NH2-OD2 3.23Å; R91-D150 PolarHBondContact NH2-OD2 3.35Å
92D90.2Very high83.6Confident58 Ų5877.9 Ų77.931%0.3142%0.418SS..  trans-14295.5178.2-171.9-24.5000109.9H94 L95 A96D92-H94 VanDerWaalsContact C-N 3.31Å; D92-H94 PolarHBondContact O-N 2.81Å; D92-H94 PolarHBondContact OD1-N 2.86Å; D92-H94 VanDerWaalsContact OD1-N 3.16Å; D92-L95 HydrophobicContact CB-CB 4.11Å; D92-L95 VanDerWaalsContact CG-CB 3.43Å; D92-L95 PolarHBondContact OD1-N 3.4Å; D92-L95 WeakPolarHBondContact OD2-CB 2.98Å; D92-A96 WeakPolarHBondContact O-CB 3.35Å; D92-A96 PolarHBondContact O-N 3.5Å
93A91Very high84.3Confident64 Ų6475.1 Ų75.153%0.52940%0.403SS..Hα-helixtrans-70.7-28.6-176.100000112.8V90 R97V90-A93 HydrophobicContact CG1-CB 4.22Å; A93-R97 WeakPolarHBondContact O-CB 3.35Å; A93-R97 PolarHBondContact O-N 2.6Å; A93-R97 VanDerWaalsContact O-N 3.08Å
94H92.7Very high85.6Confident142 Ų14269.8 Ų69.866%0.65737%0.369SS*.Hα-helixtrans-72-48.7179.6-72.3-81000110.5D92 R97 A98D92-H94 VanDerWaalsContact C-N 3.31Å; D92-H94 PolarHBondContact O-N 2.81Å; D92-H94 PolarHBondContact OD1-N 2.86Å; D92-H94 VanDerWaalsContact OD1-N 3.16Å; H94-R97 PolarHBondContact O-N 3.11Å; H94-A98 WeakPolarHBondContact O-CB 3.39Å; H94-A98 PolarHBondContact O-N 2.89Å
95L93Very high87.3Confident24 Ų2466.2 Ų66.213%0.12635%0.349CS..Hα-helixtrans-64.4-42175.4-17859.4000111.5D92 R97 A98 L99 L149 Y152D92-L95 HydrophobicContact CB-CB 4.11Å; D92-L95 VanDerWaalsContact CG-CB 3.43Å; D92-L95 PolarHBondContact OD1-N 3.4Å; D92-L95 WeakPolarHBondContact OD2-CB 2.98Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 2.96Å; L95-A98 PolarHBondContact O-N 3.07Å; L95-A98 VanDerWaalsContact O-N 3.09Å; L95-L99 HydrophobicContact CD1-CG 4.33Å; L95-L99 HydrophobicContact CG-CD1 4.4Å; L95-L99 WeakPolarHBondContact O-CG 3.16Å; L95-L99 PolarHBondContact O-N 2.94Å; L95-L149 HydrophobicContact CB-CD2 4.03Å; L95-L149 HydrophobicContact CD2-CD2 3.69Å; L95-L149 HydrophobicContact CG-CD2 3.61Å; L95-Y152 HydrophobicContact CD1-CD1 4.24Å; L95-Y152 HydrophobicContact CD1-CE1 4.1Å; L95-Y152 HydrophobicContact CD1-CE2 4.44Å; L95-Y152 HydrophobicContact CD1-CG 4.47Å; L95-Y152 HydrophobicContact CD2-CD1 3.54Å; L95-Y152 HydrophobicContact CD2-CE1 3.97Å; L95-Y152 HydrophobicContact CD2-CG 4.09Å
96A93.9Very high88.8Confident2 Ų264.3 Ų64.32%0.01734%0.337CS..Hα-helixtrans-55.3-45.7175.700000111.9V90 D92 F133 L149V90-A96 HydrophobicContact CG1-CB 4.04Å; D92-A96 WeakPolarHBondContact O-CB 3.35Å; D92-A96 PolarHBondContact O-N 3.5Å; A96-F133 HydrophobicContact CB-CE1 4.02Å; A96-F133 HydrophobicContact CB-CZ 3.66Å; A96-L149 HydrophobicContact CB-CD1 4.43Å; A96-L149 HydrophobicContact CB-CD2 4.44Å
97R92.8Very high90.1Very high191 Ų19160.5 Ų60.572%0.72131%0.31SS*.Hα-helixtrans-67.5-38176.6-171.4175.368.5-173.63.2112.2A93 H94 L95 L99A93-R97 WeakPolarHBondContact O-CB 3.35Å; A93-R97 PolarHBondContact O-N 2.6Å; A93-R97 VanDerWaalsContact O-N 3.08Å; H94-R97 PolarHBondContact O-N 3.11Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 2.96Å; R97-L99 VanDerWaalsContact C-N 3.32Å; R97-L99 PolarHBondContact O-N 2.85Å
98A93.3Very high91.1Very high48 Ų4859.3 Ų59.340%0.39731%0.305SS..Hα-helixtrans-68.2-29.6-179.700000113.1H94 L95 R102H94-A98 WeakPolarHBondContact O-CB 3.39Å; H94-A98 PolarHBondContact O-N 2.89Å; L95-A98 PolarHBondContact O-N 3.07Å; L95-A98 VanDerWaalsContact O-N 3.09Å; A98-R102 WeakPolarHBondContact O-CG 3.44Å
99L94.3Very high91.9Very high0 Ų064.1 Ų64.10%032%0.323CS..Hα-helixtrans-72.2-36.7178.2-76.8172.8000113L95 R97 G101 R102 V122 L148 L149 L157 M159L95-L99 HydrophobicContact CD1-CG 4.33Å; L95-L99 HydrophobicContact CG-CD1 4.4Å; L95-L99 WeakPolarHBondContact O-CG 3.16Å; L95-L99 PolarHBondContact O-N 2.94Å; R97-L99 VanDerWaalsContact C-N 3.32Å; R97-L99 PolarHBondContact O-N 2.85Å; L99-G101 PolarHBondContact O-N 2.86Å; L99-R102 VanDerWaalsContact O-CB 3.24Å; L99-R102 WeakPolarHBondContact O-CB 3.34Å; L99-R102 VanDerWaalsContact O-CG 3.31Å; L99-R102 WeakPolarHBondContact O-CG 3.34Å; L99-R102 PolarHBondContact O-N 3.46Å; L99-R102 VanDerWaalsContact O-N 3.07Å; L99-V122 HydrophobicContact CB-CG1 4.39Å; L99-V122 VanDerWaalsContact O-CB 3.28Å; L99-V122 WeakPolarHBondContact O-CB 3.21Å; L99-L148 HydrophobicContact CD1-CB 4.22Å; L99-L149 HydrophobicContact CD1-CD2 3.76Å; L99-L157 HydrophobicContact CD1-CD2 4.5Å; L99-L157 HydrophobicContact CD2-CD2 3.95Å; L99-M159 HydrophobicContact CD2-CG 3.9Å; L99-M159 HydrophobicContact CD2-SD 4.03Å
100V94.7Very high92.4Very high45 Ų4561.1 Ų61.127%0.27331%0.308SS..THydrogen-bonded Turntrans-61.8131-173.8173.10000111.1R102 F133 A202V100-R102 VanDerWaalsContact C-N 3.27Å; V100-R102 PolarHBondContact O-N 2.9Å; V100-F133 HydrophobicContact CG2-CD1 4.43Å; V100-F133 HydrophobicContact CG2-CE1 4.44Å; V100-A202 HydrophobicContact CG1-CB 3.56Å
101G93.2Very high93Very high28 Ų2870 Ų7029%0.28934%0.344SS..THydrogen-bonded Turntrans84-10.1-177.200000114.5L99 V122L99-G101 PolarHBondContact O-N 2.86Å; G101-V122 VanDerWaalsContact CA-O 3.25Å; G101-V122 WeakPolarHBondContact CA-O 3.46Å; G101-V122 PolarHBondContact N-O 2.93Å
102R94.6Very high93.5Very high56 Ų5669.2 Ų69.221%0.21135%0.35CS..  trans-80142.1-174.4-59.5-64.3-61.7-143.2-0.4112.5A98 L99 V100 V104 V121 V122 M159 I160 D162A98-R102 WeakPolarHBondContact O-CG 3.44Å; L99-R102 VanDerWaalsContact O-CB 3.24Å; L99-R102 WeakPolarHBondContact O-CB 3.34Å; L99-R102 VanDerWaalsContact O-CG 3.31Å; L99-R102 WeakPolarHBondContact O-CG 3.34Å; L99-R102 PolarHBondContact O-N 3.46Å; L99-R102 VanDerWaalsContact O-N 3.07Å; V100-R102 VanDerWaalsContact C-N 3.27Å; V100-R102 PolarHBondContact O-N 2.9Å; R102-V104 HydrophobicContact CB-CG1 4.44Å; R102-V121 WeakPolarHBondContact O-CA 3.17Å; R102-V122 PolarHBondContact O-N 2.96Å; R102-M159 HydrophobicContact CG-CE 3.9Å; R102-I160 PolarHBondContact NH2-O 2.86Å; R102-D162 VanDerWaalsContact CZ-CG 3.41Å; R102-D162 IonicContact CZ-OD1 3.69Å; R102-D162 VanDerWaalsContact CZ-OD1 3.24Å; R102-D162 IonicContact CZ-OD2 2.66Å; R102-D162 IonicContact NE-OD1 3.27Å; R102-D162 PolarHBondContact NE-OD1 2.62Å; R102-D162 IonicContact NE-OD2 3.4Å; R102-D162 IonicContact NH1-OD1 2.71Å; R102-D162 IonicContact NH1-OD2 3.24Å; R102-D162 PolarHBondContact NH1-OD2 2.79Å; R102-D162 IonicContact NH2-OD1 3.35Å; R102-D162 PolarHBondContact NH2-OD1 3.5Å; R102-D162 IonicContact NH2-OD2 3.75Å; R102-D162 PolarHBondContact NH2-OD2 2.79Å
103A95.1Very high93.5Very high35 Ų3568.4 Ų68.429%0.28936%0.355SS..EExtended strand (participates in β ladder)trans-70.5136.3159.800000109.8G120 I160A103-G120 CarbonylContact C-O 3.58Å; A103-G120 WeakPolarHBondContact CA-O 3.43Å; A103-I160 HydrophobicContact CB-CB 4.18Å; A103-I160 HydrophobicContact CB-CD1 4.28Å; A103-I160 PolarHBondContact O-N 3.33Å
104V96.7Very high93.5Very high0 Ų067.6 Ų67.60%035%0.346CS..EExtended strand (participates in β ladder)trans-135.4156.3-175.9-64.50000111.3R102 R119 G120 V122 I135 L157 H158 M159R102-V104 HydrophobicContact CB-CG1 4.44Å; V104-R119 WeakPolarHBondContact O-CA 3.32Å; V104-G120 PolarHBondContact N-O 2.72Å; V104-G120 PolarHBondContact O-N 2.82Å; V104-V122 HydrophobicContact CG1-CG2 3.79Å; V104-V122 HydrophobicContact CG2-CG2 4.08Å; V104-I135 HydrophobicContact CG2-CD1 3.71Å; V104-L157 HydrophobicContact CB-CD1 3.92Å; V104-L157 HydrophobicContact CB-CG 4.44Å; V104-L157 HydrophobicContact CG1-CD1 4.38Å; V104-L157 HydrophobicContact CG1-CG 4.49Å; V104-L157 HydrophobicContact CG2-CD1 3.96Å; V104-H158 CarbonylContact C-O 3.58Å; V104-H158 VanDerWaalsContact CA-O 3.23Å; V104-H158 WeakPolarHBondContact CA-O 3.24Å; V104-M159 HydrophobicContact CG1-CG 4.49Å
105Q97.5Very high93.4Very high63 Ų6366.7 Ų66.729%0.29434%0.342SS..EExtended strand (participates in β ladder)trans-109116.5163.3-173.1170.3-39.500107.7N117 W118 H158Q105-N117 HydrophobicContact CG-CB 3.75Å; Q105-N117 VanDerWaalsContact NE2-CB 3.26Å; Q105-N117 PolarHBondContact NE2-OD1 2.92Å; Q105-N117 VanDerWaalsContact NE2-OD1 3.07Å; Q105-W118 WeakPolarHBondContact CA-O 3.49Å; Q105-H158 PolarHBondContact N-O 3.26Å; Q105-H158 PolarHBondContact O-N 2.91Å
106H97.7Very high93.4Very high4 Ų466.7 Ų66.72%0.01934%0.343CS..EExtended strand (participates in β ladder)trans-108.7120.8-179-164.1178000109F108 W118 Y137 D151 N156 L157H106-F108 HydrophobicContact CB-CE2 3.91Å; H106-F108 HydrophobicContact CB-CZ 4.31Å; H106-F108 AromaticContact CE1-CE1 3.8Å; H106-F108 AromaticContact CE1-CZ 3.53Å; H106-F108 AromaticContact CG-CE2 3.71Å; H106-F108 AromaticContact CG-CZ 3.65Å; H106-F108 AromaticContact ND1-CE2 3.78Å; H106-F108 AromaticContact ND1-CZ 3.25Å; H106-F108 VanDerWaalsContact ND1-CZ 3.25Å; H106-F108 WeakPolarHBondContact ND1-CZ 3.41Å; H106-W118 PolarHBondContact N-O 3.14Å; H106-W118 PolarHBondContact O-N 2.77Å; H106-Y137 HydrophobicContact CB-CE1 3.94Å; H106-Y137 AromaticContact ND1-CE1 3.94Å; H106-Y137 AromaticContact ND1-CZ 3.8Å; H106-Y137 PolarHBondContact ND1-OH 2.84Å; H106-D151 IonicContact CE1-OD2 3.39Å; H106-D151 IonicContact NE2-OD2 3.04Å; H106-D151 PolarHBondContact NE2-OD2 2.93Å; H106-N156 PolarHBondContact CD2-O 2.7Å; H106-L157 HydrophobicContact CB-CD1 3.75Å
107K97.1Very high93.5Very high50 Ų5069.6 Ų69.622%0.21736%0.358CS..EExtended strand (participates in β ladder)trans-86.8134.9179.1-174.2-171.6-78.3-1600109.8E115 V116 N156K107-E115 HydrophobicContact CD-CB 4.32Å; K107-E115 HydrophobicContact CD-CG 4.21Å; K107-E115 WeakPolarHBondContact CD-OE2 3.23Å; K107-E115 VanDerWaalsContact CE-OE2 3.24Å; K107-E115 WeakPolarHBondContact CE-OE2 3.47Å; K107-E115 HydrophobicContact CG-CB 4.25Å; K107-E115 VanDerWaalsContact NZ-CD 3.32Å; K107-E115 IonicContact NZ-OE1 3.11Å; K107-E115 PolarHBondContact NZ-OE1 2.79Å; K107-E115 IonicContact NZ-OE2 3.96Å; K107-E115 PolarHBondContact NZ-OE2 3.32Å; K107-V116 CarbonylContact C-O 3.58Å; K107-V116 WeakPolarHBondContact CA-O 3.43Å; K107-N156 HydrophobicContact CB-CB 4.39Å; K107-N156 WeakPolarHBondContact CB-O 3.25Å; K107-N156 PolarHBondContact N-O 2.68Å
108F94.7Very high93.6Very high47 Ų4763.5 Ų63.521%0.20634%0.335CS..EExtended strand (participates in β ladder)trans-128.4150.1173.6-63.3-83.3000109.9H106 E115 V116 W118 Y137 Y146H106-F108 HydrophobicContact CB-CE2 3.91Å; H106-F108 HydrophobicContact CB-CZ 4.31Å; H106-F108 AromaticContact CE1-CE1 3.8Å; H106-F108 AromaticContact CE1-CZ 3.53Å; H106-F108 AromaticContact CG-CE2 3.71Å; H106-F108 AromaticContact CG-CZ 3.65Å; H106-F108 AromaticContact ND1-CE2 3.78Å; H106-F108 AromaticContact ND1-CZ 3.25Å; H106-F108 VanDerWaalsContact ND1-CZ 3.25Å; H106-F108 WeakPolarHBondContact ND1-CZ 3.41Å; F108-E115 CarbonylContact O-C 3.56Å; F108-E115 WeakPolarHBondContact O-CA 3.4Å; F108-V116 HydrophobicContact CB-CG1 3.92Å; F108-V116 PolarHBondContact N-O 3.17Å; F108-V116 PolarHBondContact O-N 3.06Å; F108-W118 HydrophobicContact CD2-CB 4.22Å; F108-W118 AromaticContact CD2-CD1 3.95Å; F108-W118 HydrophobicContact CD2-CD2 4.45Å; F108-W118 AromaticContact CD2-CG 3.99Å; F108-W118 HydrophobicContact CD2-CG 3.99Å; F108-W118 HydrophobicContact CE2-CB 3.96Å; F108-W118 HydrophobicContact CE2-CD2 4.39Å; F108-W118 HydrophobicContact CE2-CG 4.05Å; F108-Y137 HydrophobicContact CE2-CE1 4.18Å; F108-Y137 HydrophobicContact CZ-CE1 4.3Å; F108-Y137 HydrophobicContact CZ-CE2 4.42Å; F108-Y137 AromaticContact CZ-CZ 3.82Å; F108-Y137 WeakPolarHBondContact CZ-OH 3.42Å; F108-Y146 HydrophobicContact CE1-CE1 4.24Å; F108-Y146 HydrophobicContact CZ-CE2 4.47Å
109E92.7Very high93.8Very high157 Ų15769 Ų6973%0.73435%0.345SS*.EExtended strand (participates in β ladder)trans-92.6123168.8-166.2178.3171.100109.1
110E88.4Confident93.9Very high93 Ų9369.3 Ų69.344%0.43535%0.349SS..  trans-79.7169.9173.3-63-164.1173.800111D112 G113 S114 V116E110-D112 PolarHBondContact O-N 3.31Å; E110-D112 VanDerWaalsContact O-N 3.12Å; E110-G113 PolarHBondContact O-N 3.42Å; E110-S114 PolarHBondContact N-O 3.36Å; E110-V116 HydrophobicContact CG-CB 4.13Å; E110-V116 HydrophobicContact CG-CG1 3.7Å; E110-V116 WeakPolarHBondContact OE1-CB 3.4Å; E110-V116 WeakPolarHBondContact OE1-CG1 3.4Å
111K88.7Confident93.9Very high224 Ų22469.3 Ų69.397%0.97435%0.349SS*.THydrogen-bonded Turntrans-61.6-24-175.8-68.1-176.8-179.8178.20114.2G113K111-G113 VanDerWaalsContact C-N 3.3Å
112D91.8Very high94.1Very high123 Ų12368 Ų6866%0.65834%0.335SS*.THydrogen-bonded Turntrans-88.73.3177.365.7-4.8000113E110 S114E110-D112 PolarHBondContact O-N 3.31Å; E110-D112 VanDerWaalsContact O-N 3.12Å; D112-S114 VanDerWaalsContact C-N 3.28Å; D112-S114 WeakPolarHBondContact OD1-CB 3.49Å; D112-S114 PolarHBondContact OD1-N 2.8Å; D112-S114 PolarHBondContact OD1-OG 3.41Å
113G89Confident94.2Very high40 Ų4065.5 Ų65.541%0.41233%0.326SS..SBendtrans81.61.2-176.500000113.8E110 K111E110-G113 PolarHBondContact O-N 3.42Å; K111-G113 VanDerWaalsContact C-N 3.3Å
114S91.1Very high94.3Very high48 Ų4865.2 Ų65.234%0.33632%0.324SS..  trans-72.3140.6175.569.70000111E110 D112E110-S114 PolarHBondContact N-O 3.36Å; D112-S114 VanDerWaalsContact C-N 3.28Å; D112-S114 WeakPolarHBondContact OD1-CB 3.49Å; D112-S114 PolarHBondContact OD1-N 2.8Å; D112-S114 PolarHBondContact OD1-OG 3.41Å
115E91.4Very high94.2Very high122 Ų12268 Ų6857%0.5734%0.336SS*.EExtended strand (participates in β ladder)trans-88.9124.4176.6-64.4-174.3154.300110.5K107 F108K107-E115 HydrophobicContact CD-CB 4.32Å; K107-E115 HydrophobicContact CD-CG 4.21Å; K107-E115 WeakPolarHBondContact CD-OE2 3.23Å; K107-E115 VanDerWaalsContact CE-OE2 3.24Å; K107-E115 WeakPolarHBondContact CE-OE2 3.47Å; K107-E115 HydrophobicContact CG-CB 4.25Å; K107-E115 VanDerWaalsContact NZ-CD 3.32Å; K107-E115 IonicContact NZ-OE1 3.11Å; K107-E115 PolarHBondContact NZ-OE1 2.79Å; K107-E115 IonicContact NZ-OE2 3.96Å; K107-E115 PolarHBondContact NZ-OE2 3.32Å; F108-E115 CarbonylContact O-C 3.56Å; F108-E115 WeakPolarHBondContact O-CA 3.4Å
116V93.7Very high94Very high24 Ų2465 Ų6515%0.14532%0.322CS..EExtended strand (participates in β ladder)trans-112.8136.517568.30000110.7K107 F108 E110K107-V116 CarbonylContact C-O 3.58Å; K107-V116 WeakPolarHBondContact CA-O 3.43Å; F108-V116 HydrophobicContact CB-CG1 3.92Å; F108-V116 PolarHBondContact N-O 3.17Å; F108-V116 PolarHBondContact O-N 3.06Å; E110-V116 HydrophobicContact CG-CB 4.13Å; E110-V116 HydrophobicContact CG-CG1 3.7Å; E110-V116 WeakPolarHBondContact OE1-CB 3.4Å; E110-V116 WeakPolarHBondContact OE1-CG1 3.4Å
117N94.2Very high93.6Very high64 Ų6469.3 Ų69.334%0.34235%0.351SS..EExtended strand (participates in β ladder)trans-103.8120.4177.4-77-73.4000110.9Q105Q105-N117 HydrophobicContact CG-CB 3.75Å; Q105-N117 VanDerWaalsContact NE2-CB 3.26Å; Q105-N117 PolarHBondContact NE2-OD1 2.92Å; Q105-N117 VanDerWaalsContact NE2-OD1 3.07Å
118W96.6Very high93Very high62 Ų6268.6 Ų68.624%0.23535%0.349CS..EExtended strand (participates in β ladder)trans-105.7126.4178.8-74.244.7000109.5Q105 H106 F108 Y137 D140Q105-W118 WeakPolarHBondContact CA-O 3.49Å; H106-W118 PolarHBondContact N-O 3.14Å; H106-W118 PolarHBondContact O-N 2.77Å; F108-W118 HydrophobicContact CD2-CB 4.22Å; F108-W118 AromaticContact CD2-CD1 3.95Å; F108-W118 HydrophobicContact CD2-CD2 4.45Å; F108-W118 AromaticContact CD2-CG 3.99Å; F108-W118 HydrophobicContact CD2-CG 3.99Å; F108-W118 HydrophobicContact CE2-CB 3.96Å; F108-W118 HydrophobicContact CE2-CD2 4.39Å; F108-W118 HydrophobicContact CE2-CG 4.05Å; W118-Y137 HydrophobicContact CB-CD1 3.88Å; W118-Y137 HydrophobicContact CB-CE1 4.36Å; W118-Y137 HydrophobicContact CB-CG 4.47Å; W118-Y137 HydrophobicContact CE3-CD1 4.22Å; W118-Y137 AromaticContact CE3-CD2 3.9Å; W118-Y137 HydrophobicContact CE3-CD2 3.9Å; W118-Y137 AromaticContact CE3-CG 3.67Å; W118-Y137 HydrophobicContact CE3-CG 3.67Å; W118-Y137 HydrophobicContact CZ3-CD2 4.26Å; W118-Y137 HydrophobicContact CZ3-CG 4.39Å; W118-D140 HydrophobicContact CH2-CB 4.44Å; W118-D140 HydrophobicContact CZ3-CB 3.89Å
119R96.8Very high92.7Very high163 Ų16367.5 Ų67.562%0.61535%0.345SS*.EExtended strand (participates in β ladder)trans-80.8127.9170.6-79.3-170.9-104.2-120-0.4109.6V104 Y137 K138 I160V104-R119 WeakPolarHBondContact O-CA 3.32Å; R119-Y137 WeakPolarHBondContact O-CA 3.43Å; R119-K138 PolarHBondContact O-N 3.46Å; R119-I160 HydrophobicContact CG-CD1 4.16Å
120G95.9Very high92.5Very high7 Ų764.3 Ų64.37%0.07233%0.329CS..EExtended strand (participates in β ladder)trans-142.7-178.5-18000000113A103 V104 T136A103-G120 CarbonylContact C-O 3.58Å; A103-G120 WeakPolarHBondContact CA-O 3.43Å; V104-G120 PolarHBondContact N-O 2.72Å; V104-G120 PolarHBondContact O-N 2.82Å; G120-T136 CarbonylContact C-O 3.55Å; G120-T136 WeakPolarHBondContact CA-O 3.26Å
121V96.1Very high92.7Very high46 Ų4661 Ų6128%0.27931%0.314SS..EExtended strand (participates in β ladder)trans-133.2128.4174.9179.10000108.5R102 L123 I135 T136R102-V121 WeakPolarHBondContact O-CA 3.17Å; V121-L123 HydrophobicContact CB-CD2 4.49Å; V121-L123 HydrophobicContact CG1-CD2 4.25Å; V121-I135 WeakPolarHBondContact O-CA 3.4Å; V121-I135 WeakPolarHBondContact O-CG1 3.4Å; V121-T136 PolarHBondContact N-O 3.06Å; V121-T136 PolarHBondContact O-N 2.92Å
122V97.1Very high92.9Very high0 Ų051 Ų510%027%0.271CS..EExtended strand (participates in β ladder)trans-77.8123.6173.2-1750000108.3L99 G101 R102 V104 F133 I135 L148L99-V122 HydrophobicContact CB-CG1 4.39Å; L99-V122 VanDerWaalsContact O-CB 3.28Å; L99-V122 WeakPolarHBondContact O-CB 3.21Å; G101-V122 VanDerWaalsContact CA-O 3.25Å; G101-V122 WeakPolarHBondContact CA-O 3.46Å; G101-V122 PolarHBondContact N-O 2.93Å; R102-V122 PolarHBondContact O-N 2.96Å; V104-V122 HydrophobicContact CG1-CG2 3.79Å; V104-V122 HydrophobicContact CG2-CG2 4.08Å; V122-F133 HydrophobicContact CG1-CB 4.17Å; V122-F133 HydrophobicContact CG1-CD1 4.08Å; V122-I135 HydrophobicContact CG2-CD1 4.34Å; V122-L148 HydrophobicContact CB-CD1 4.35Å; V122-L148 HydrophobicContact CG1-CD1 3.89Å; V122-L148 HydrophobicContact CG2-CD1 3.59Å
123L96.7Very high93.2Very high4 Ų445.1 Ų45.12%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-95.6-47.1-167-56168.9000111.6V121 Y134 T136 L143 V200 V206 F208 V219V121-L123 HydrophobicContact CB-CD2 4.49Å; V121-L123 HydrophobicContact CG1-CD2 4.25Å; L123-Y134 PolarHBondContact N-O 2.96Å; L123-T136 HydrophobicContact CD1-CG2 4.15Å; L123-T136 HydrophobicContact CD2-CG2 4.12Å; L123-T136 HydrophobicContact CG-CG2 4.47Å; L123-L143 HydrophobicContact CD1-CD1 3.58Å; L123-V200 HydrophobicContact CB-CG1 4.21Å; L123-V200 HydrophobicContact CB-CG2 4.46Å; L123-V200 HydrophobicContact CD2-CG2 4.34Å; L123-V200 WeakPolarHBondContact O-CG1 3.49Å; L123-V206 HydrophobicContact CD2-CG1 4.13Å; L123-F208 HydrophobicContact CD1-CE1 3.95Å; L123-F208 HydrophobicContact CD1-CZ 4.38Å; L123-V219 HydrophobicContact CD1-CB 4.48Å; L123-V219 HydrophobicContact CD1-CG1 3.95Å; L123-V219 HydrophobicContact CD1-CG2 3.88Å; L123-V219 HydrophobicContact CD2-CG1 4.07Å
124A95.5Very high93.6Very high28 Ų2843.9 Ų43.923%0.23122%0.223CC..EExtended strand (participates in β ladder)trans-167.1161.3179.100000110.4F133 Y134A124-F133 CarbonylContact O-C 3.52Å; A124-F133 WeakPolarHBondContact O-CA 3.49Å; A124-Y134 HydrophobicContact CB-CD2 4.36Å; A124-Y134 PolarHBondContact O-N 3Å
125Q95Very high94Very high58 Ų5841.6 Ų41.627%0.27121%0.207SC..EExtended strand (participates in β ladder)trans-74.5140.6163.1-168.3171.837.400109.7P127 K130 F133Q125-P127 WeakPolarHBondContact O-CD 3.42Å; Q125-K130 PolarHBondContact NE2-O 3.35Å; Q125-F133 HydrophobicContact CB-CD1 4.16Å; Q125-F133 HydrophobicContact CB-CE1 4.05Å; Q125-F133 HydrophobicContact CG-CD1 4.38Å; Q125-F133 HydrophobicContact CG-CE1 4.06Å; Q125-F133 HydrophobicContact CG-CZ 4.23Å
126V93.9Very high94.3Very high0 Ų036.5 Ų36.50%018%0.184CC..  trans-70.8124178.3-179.50000108.7L44 I128 M129 L132 Y134 A145L44-V126 HydrophobicContact CD1-CG1 4.17Å; L44-V126 HydrophobicContact CD2-CG1 4.3Å; V126-I128 VanDerWaalsContact C-N 3.31Å; V126-I128 PolarHBondContact O-N 3.02Å; V126-M129 WeakPolarHBondContact CB-O 3.42Å; V126-M129 HydrophobicContact CG1-CB 4.3Å; V126-M129 CarbonylContact O-C 3.59Å; V126-L132 HydrophobicContact CB-CB 4.1Å; V126-L132 HydrophobicContact CG2-CB 3.74Å; V126-L132 PolarHBondContact N-O 2.87Å; V126-Y134 HydrophobicContact CG2-CD1 3.8Å; V126-Y134 HydrophobicContact CG2-CD2 4.15Å; V126-Y134 HydrophobicContact CG2-CE1 3.66Å; V126-Y134 HydrophobicContact CG2-CE2 4.05Å; V126-Y134 HydrophobicContact CG2-CG 4.03Å; V126-A145 HydrophobicContact CG2-CB 4.42Å
127P88.6Confident94.4Very high95 Ų9535.7 Ų35.762%0.61718%0.178SC*.SBendtrans-60.5-37.2-168.9-28.335.3000114.9Q125Q125-P127 WeakPolarHBondContact O-CD 3.42Å
128I85.8Confident94.4Very high35 Ų3541.3 Ų41.318%0.17920%0.2CC..SBendtrans-92.1-43-173.9-59.2-179.6000111.4V21 L44 F87 V126V21-I128 HydrophobicContact CG1-CD1 3.24Å; L44-I128 WeakPolarHBondContact O-CD1 3.38Å; F87-I128 WeakPolarHBondContact CB-O 3.49Å; F87-I128 HydrophobicContact CD1-CG2 3.8Å; F87-I128 WeakPolarHBondContact CD1-O 3.45Å; F87-I128 HydrophobicContact CD2-CG2 4.16Å; F87-I128 HydrophobicContact CE1-CG2 3.27Å; F87-I128 HydrophobicContact CE2-CG2 3.66Å; F87-I128 HydrophobicContact CG-CG2 4.23Å; F87-I128 VanDerWaalsContact CG-O 3.24Å; F87-I128 WeakPolarHBondContact CG-O 3.35Å; F87-I128 HydrophobicContact CZ-CG2 3.18Å; V126-I128 VanDerWaalsContact C-N 3.31Å; V126-I128 PolarHBondContact O-N 3.02Å
129M88.6Confident94.2Very high24 Ų2445.4 Ų45.412%0.11822%0.219CC..  trans-103.384.1176.1-77.7-166.5-73.300109.4I42 L44 K57 F87 V126 D131 L132I42-M129 HydrophobicContact CD1-CE 4.12Å; I42-M129 HydrophobicContact CD1-CG 4.34Å; I42-M129 HydrophobicContact CD1-SD 4.07Å; I42-M129 HydrophobicContact CG2-CE 3.35Å; I42-M129 HydrophobicContact CG2-SD 4.26Å; L44-M129 HydrophobicContact CD2-CE 3.14Å; K57-M129 HydrophobicContact CD-CE 4.08Å; F87-M129 HydrophobicContact CD1-CG 3.85Å; F87-M129 HydrophobicContact CE1-CG 3.94Å; V126-M129 WeakPolarHBondContact CB-O 3.42Å; V126-M129 HydrophobicContact CG1-CB 4.3Å; V126-M129 CarbonylContact O-C 3.59Å; M129-D131 PolarHBondContact O-N 2.85Å; M129-D131 VanDerWaalsContact O-N 3.14Å; M129-L132 HydrophobicContact CB-CB 4.36Å; M129-L132 HydrophobicContact CB-CD1 3.91Å; M129-L132 HydrophobicContact CB-CG 4.21Å; M129-L132 HydrophobicContact CE-CD1 3.5Å; M129-L132 VanDerWaalsContact CE-CD1 3.5Å; M129-L132 HydrophobicContact CG-CD1 4.49Å; M129-L132 WeakPolarHBondContact O-CB 3.31Å; M129-L132 PolarHBondContact O-N 3.28Å; M129-L132 HydrophobicContact SD-CD1 3.79Å
130K88.8Confident94.2Very high90 Ų9040.6 Ų40.639%0.39121%0.206SC..THydrogen-bonded Turntrans-69.7-10.1-170.8-57.8-171.1176.8-178.60114.3V90 Q125 L132V90-K130 HydrophobicContact CG2-CB 3.51Å; V90-K130 HydrophobicContact CG2-CD 3.72Å; V90-K130 HydrophobicContact CG2-CG 4.26Å; Q125-K130 PolarHBondContact NE2-O 3.35Å; K130-L132 VanDerWaalsContact C-N 3.29Å
131D90.6Very high94.1Very high25 Ų2542 Ų4213%0.13421%0.214CC..THydrogen-bonded Turntrans-75.6-17.9168.560.1-36000112.9P88 M129 Q147P88-D131 HydrophobicContact CG-CB 3.76Å; P88-D131 WeakPolarHBondContact CG-OD1 3.39Å; M129-D131 PolarHBondContact O-N 2.85Å; M129-D131 VanDerWaalsContact O-N 3.14Å; D131-Q147 WeakPolarHBondContact O-CA 3.29Å; D131-Q147 PolarHBondContact OD2-NE2 3.03Å
132L94.6Very high94.2Very high13 Ų1340 Ų407%0.06820%0.202CC..  trans-100150.5179.3-63.9176.3000112.9K57 V126 M129 K130 A145 Y146 Q147K57-L132 HydrophobicContact CD-CD1 3.81Å; V126-L132 HydrophobicContact CB-CB 4.1Å; V126-L132 HydrophobicContact CG2-CB 3.74Å; V126-L132 PolarHBondContact N-O 2.87Å; M129-L132 HydrophobicContact CB-CB 4.36Å; M129-L132 HydrophobicContact CB-CD1 3.91Å; M129-L132 HydrophobicContact CB-CG 4.21Å; M129-L132 HydrophobicContact CE-CD1 3.5Å; M129-L132 VanDerWaalsContact CE-CD1 3.5Å; M129-L132 HydrophobicContact CG-CD1 4.49Å; M129-L132 WeakPolarHBondContact O-CB 3.31Å; M129-L132 PolarHBondContact O-N 3.28Å; M129-L132 HydrophobicContact SD-CD1 3.79Å; K130-L132 VanDerWaalsContact C-N 3.29Å; L132-A145 HydrophobicContact CB-CB 4.45Å; L132-A145 HydrophobicContact CD1-CB 4.45Å; L132-Y146 WeakPolarHBondContact CA-O 3.35Å; L132-Q147 HydrophobicContact CD2-CB 4.5Å; L132-Q147 HydrophobicContact CD2-CG 3.55Å
133F97.2Very high94.2Very high0 Ų040.1 Ų40.10%020%0.203CC..EExtended strand (participates in β ladder)trans-127.4135175.6-65.4-101.6000110A96 V100 V122 A124 Q125 A145 Y146 L148 L149A96-F133 HydrophobicContact CB-CE1 4.02Å; A96-F133 HydrophobicContact CB-CZ 3.66Å; V100-F133 HydrophobicContact CG2-CD1 4.43Å; V100-F133 HydrophobicContact CG2-CE1 4.44Å; V122-F133 HydrophobicContact CG1-CB 4.17Å; V122-F133 HydrophobicContact CG1-CD1 4.08Å; A124-F133 CarbonylContact O-C 3.52Å; A124-F133 WeakPolarHBondContact O-CA 3.49Å; Q125-F133 HydrophobicContact CB-CD1 4.16Å; Q125-F133 HydrophobicContact CB-CE1 4.05Å; Q125-F133 HydrophobicContact CG-CD1 4.38Å; Q125-F133 HydrophobicContact CG-CE1 4.06Å; Q125-F133 HydrophobicContact CG-CZ 4.23Å; F133-A145 VanDerWaalsContact O-CA 3.26Å; F133-A145 WeakPolarHBondContact O-CA 3.42Å; F133-Y146 PolarHBondContact N-O 2.9Å; F133-Y146 PolarHBondContact O-N 3.46Å; F133-L148 HydrophobicContact CB-CB 4.3Å; F133-L148 HydrophobicContact CB-CD1 3.5Å; F133-L148 HydrophobicContact CB-CG 3.86Å; F133-L148 HydrophobicContact CD2-CB 3.88Å; F133-L148 HydrophobicContact CD2-CG 4.32Å; F133-L148 HydrophobicContact CG-CB 4.18Å; F133-L148 HydrophobicContact CG-CD1 4.06Å; F133-L148 HydrophobicContact CG-CG 4.28Å; F133-L149 HydrophobicContact CE2-CD1 4.08Å; F133-L149 HydrophobicContact CE2-CD2 4.37Å; F133-L149 HydrophobicContact CE2-CG 3.7Å; F133-L149 HydrophobicContact CZ-CD1 4.14Å; F133-L149 HydrophobicContact CZ-CD2 4.16Å; F133-L149 HydrophobicContact CZ-CG 3.91Å
134Y97.8Very high94.3Very high14 Ų1441 Ų416%0.05521%0.206CC..EExtended strand (participates in β ladder)trans-69.6130.9166.8-68.9-45.4000110.1L44 I64 L123 A124 V126 L143 Y144 A145L44-Y134 HydrophobicContact CD1-CE1 3.8Å; L44-Y134 WeakPolarHBondContact CD1-OH 3.41Å; I64-Y134 HydrophobicContact CD1-CE1 4.35Å; I64-Y134 HydrophobicContact CG1-CD1 4.12Å; I64-Y134 HydrophobicContact CG1-CE1 3.88Å; I64-Y134 HydrophobicContact CG2-CE1 4.36Å; L123-Y134 PolarHBondContact N-O 2.96Å; A124-Y134 HydrophobicContact CB-CD2 4.36Å; A124-Y134 PolarHBondContact O-N 3Å; V126-Y134 HydrophobicContact CG2-CD1 3.8Å; V126-Y134 HydrophobicContact CG2-CD2 4.15Å; V126-Y134 HydrophobicContact CG2-CE1 3.66Å; V126-Y134 HydrophobicContact CG2-CE2 4.05Å; V126-Y134 HydrophobicContact CG2-CG 4.03Å; Y134-L143 HydrophobicContact CD1-CD1 4.09Å; Y134-L143 HydrophobicContact CD1-CD2 4.29Å; Y134-L143 HydrophobicContact CD1-CG 4.21Å; Y134-L143 HydrophobicContact CE1-CD2 4.43Å; Y134-L143 HydrophobicContact CG-CD1 4.13Å; Y134-Y144 VanDerWaalsContact CA-O 3.3Å; Y134-Y144 WeakPolarHBondContact CA-O 3.47Å; Y134-A145 HydrophobicContact CD1-CB 4.32Å
135I98.2Very high94.4Very high0 Ų039.8 Ų39.80%020%0.196CC..EExtended strand (participates in β ladder)trans-142.9151.1178.9-177.6167.8000109.5V104 V121 V122 Y137 Y144 Y146 L148V104-I135 HydrophobicContact CG2-CD1 3.71Å; V121-I135 WeakPolarHBondContact O-CA 3.4Å; V121-I135 WeakPolarHBondContact O-CG1 3.4Å; V122-I135 HydrophobicContact CG2-CD1 4.34Å; I135-Y137 HydrophobicContact CD1-CE1 3.69Å; I135-Y137 HydrophobicContact CG1-CE1 4.02Å; I135-Y137 HydrophobicContact CG2-CE2 4.46Å; I135-Y144 PolarHBondContact N-O 2.78Å; I135-Y144 PolarHBondContact O-N 2.8Å; I135-Y146 HydrophobicContact CG2-CD2 3.64Å; I135-Y146 HydrophobicContact CG2-CE2 4.32Å; I135-L148 HydrophobicContact CB-CD1 4.37Å; I135-L148 HydrophobicContact CD1-CD1 4.15Å; I135-L148 HydrophobicContact CD1-CD2 4.23Å
136T98.2Very high94.5Very high15 Ų1538.7 Ų38.79%0.09219%0.189CC..EExtended strand (participates in β ladder)trans-131.8160.7169.9-166.60000110.3G120 V121 L123 P141 G142 V219G120-T136 CarbonylContact C-O 3.55Å; G120-T136 WeakPolarHBondContact CA-O 3.26Å; V121-T136 PolarHBondContact N-O 3.06Å; V121-T136 PolarHBondContact O-N 2.92Å; L123-T136 HydrophobicContact CD1-CG2 4.15Å; L123-T136 HydrophobicContact CD2-CG2 4.12Å; L123-T136 HydrophobicContact CG-CG2 4.47Å; T136-P141 WeakPolarHBondContact OG1-CA 3.33Å; T136-G142 VanDerWaalsContact CB-O 3.3Å; T136-G142 WeakPolarHBondContact CB-O 3.3Å; T136-G142 PolarHBondContact OG1-O 3.38Å; T136-V219 HydrophobicContact CG2-CB 3.87Å; T136-V219 HydrophobicContact CG2-CG1 3.75Å; T136-V219 HydrophobicContact CG2-CG2 4.42Å
137Y97Very high94.6Very high6 Ų642.8 Ų42.82%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-121.5148.2-176.8-55.9-74.8000111.9H106 F108 W118 R119 I135 K139 D140 Y144 Y146H106-Y137 HydrophobicContact CB-CE1 3.94Å; H106-Y137 AromaticContact ND1-CE1 3.94Å; H106-Y137 AromaticContact ND1-CZ 3.8Å; H106-Y137 PolarHBondContact ND1-OH 2.84Å; F108-Y137 HydrophobicContact CE2-CE1 4.18Å; F108-Y137 HydrophobicContact CZ-CE1 4.3Å; F108-Y137 HydrophobicContact CZ-CE2 4.42Å; F108-Y137 AromaticContact CZ-CZ 3.82Å; F108-Y137 WeakPolarHBondContact CZ-OH 3.42Å; W118-Y137 HydrophobicContact CB-CD1 3.88Å; W118-Y137 HydrophobicContact CB-CE1 4.36Å; W118-Y137 HydrophobicContact CB-CG 4.47Å; W118-Y137 HydrophobicContact CE3-CD1 4.22Å; W118-Y137 AromaticContact CE3-CD2 3.9Å; W118-Y137 HydrophobicContact CE3-CD2 3.9Å; W118-Y137 AromaticContact CE3-CG 3.67Å; W118-Y137 HydrophobicContact CE3-CG 3.67Å; W118-Y137 HydrophobicContact CZ3-CD2 4.26Å; W118-Y137 HydrophobicContact CZ3-CG 4.39Å; R119-Y137 WeakPolarHBondContact O-CA 3.43Å; I135-Y137 HydrophobicContact CD1-CE1 3.69Å; I135-Y137 HydrophobicContact CG1-CE1 4.02Å; I135-Y137 HydrophobicContact CG2-CE2 4.46Å; Y137-K139 VanDerWaalsContact C-N 3.29Å; Y137-K139 PolarHBondContact O-N 2.92Å; Y137-D140 PolarHBondContact N-O 2.92Å; Y137-D140 CarbonylContact O-C 3.56Å; Y137-D140 PolarHBondContact O-N 2.97Å; Y137-Y144 AromaticContact CD2-CD2 3.69Å; Y137-Y144 HydrophobicContact CD2-CD2 3.69Å; Y137-Y144 AromaticContact CD2-CE2 3.75Å; Y137-Y144 HydrophobicContact CD2-CE2 3.75Å; Y137-Y144 HydrophobicContact CD2-CG 4.41Å; Y137-Y144 AromaticContact CE2-CD2 3.65Å; Y137-Y144 HydrophobicContact CE2-CD2 3.65Å; Y137-Y144 HydrophobicContact CE2-CE2 4.1Å; Y137-Y144 AromaticContact CE2-CG 3.93Å; Y137-Y144 HydrophobicContact CE2-CG 3.93Å; Y137-Y146 HydrophobicContact CE2-CE2 4.13Å; Y137-Y146 WeakPolarHBondContact OH-CD2 3.17Å; Y137-Y146 VanDerWaalsContact OH-CE2 3.24Å; Y137-Y146 WeakPolarHBondContact OH-CE2 3.48Å
138K93.9Very high95Very high183 Ų18338.3 Ų38.380%0.79618%0.179SC*.SBendtrans-63.5-35.5178.6-175.7174.9-178.7175.70112.6R119R119-K138 PolarHBondContact O-N 3.46Å
139K92.7Very high95.4Very high148 Ų14836.7 Ų36.764%0.64317%0.171SC*.SBendtrans-77.2-27.7179.6-71.4-175.71771790112.5Y137Y137-K139 VanDerWaalsContact C-N 3.29Å; Y137-K139 PolarHBondContact O-N 2.92Å
140D95.2Very high95.7Very high62 Ų6237.1 Ų37.133%0.33217%0.174SC..  trans-142100.2179.7-167.3-12.5000109.8W118 Y137 G142 Y144W118-D140 HydrophobicContact CH2-CB 4.44Å; W118-D140 HydrophobicContact CZ3-CB 3.89Å; Y137-D140 PolarHBondContact N-O 2.92Å; Y137-D140 CarbonylContact O-C 3.56Å; Y137-D140 PolarHBondContact O-N 2.97Å; D140-G142 PolarHBondContact O-N 2.79Å; D140-G142 PolarHBondContact OD1-N 2.87Å; D140-Y144 PolarHBondContact OD2-OH 3.09Å
141P95.2Very high96.1Very high36 Ų3634 Ų3423%0.23416%0.162CC..  trans-77.526.8-173.433-35.3000113.1T136 Y218 V219 Y220T136-P141 WeakPolarHBondContact OG1-CA 3.33Å; P141-Y218 HydrophobicContact CG-CD1 4.31Å; P141-Y218 CarbonylContact O-C 3.08Å; P141-Y218 VanDerWaalsContact O-CA 3.31Å; P141-Y218 WeakPolarHBondContact O-CA 3.24Å; P141-V219 WeakPolarHBondContact CB-O 3.49Å; P141-V219 PolarHBondContact O-N 2.86Å; P141-Y220 HydrophobicContact CB-CE1 4.41Å; P141-Y220 HydrophobicContact CG-CE1 4.34Å
142G97.2Very high96.4Very high4 Ų437.5 Ų37.54%0.04117%0.174CC..BIsolated β-bridgetrans-68.5158.7168.600000112.5T136 D140 Y144T136-G142 VanDerWaalsContact CB-O 3.3Å; T136-G142 WeakPolarHBondContact CB-O 3.3Å; T136-G142 PolarHBondContact OG1-O 3.38Å; D140-G142 PolarHBondContact O-N 2.79Å; D140-G142 PolarHBondContact OD1-N 2.87Å; G142-Y144 VanDerWaalsContact O-CD2 3.28Å; G142-Y144 WeakPolarHBondContact O-CD2 3.22Å; G142-Y144 WeakPolarHBondContact O-CE2 3.48Å
143L98.2Very high96.4Very high2 Ų242.5 Ų42.51%0.0120%0.195CC..  trans-88122.2168.6-175.965.5000109.7I64 L123 Y134 F208 I217 V219I64-L143 HydrophobicContact CB-CB 4.32Å; I64-L143 HydrophobicContact CB-CD2 3.92Å; I64-L143 HydrophobicContact CB-CG 3.94Å; I64-L143 HydrophobicContact CG1-CD2 4.47Å; I64-L143 HydrophobicContact CG1-CG 4.23Å; I64-L143 HydrophobicContact CG2-CD2 3.85Å; I64-L143 HydrophobicContact CG2-CG 4.44Å; I64-L143 PolarHBondContact N-O 2.99Å; L123-L143 HydrophobicContact CD1-CD1 3.58Å; Y134-L143 HydrophobicContact CD1-CD1 4.09Å; Y134-L143 HydrophobicContact CD1-CD2 4.29Å; Y134-L143 HydrophobicContact CD1-CG 4.21Å; Y134-L143 HydrophobicContact CE1-CD2 4.43Å; Y134-L143 HydrophobicContact CG-CD1 4.13Å; L143-F208 HydrophobicContact CD1-CE1 4.05Å; L143-F208 HydrophobicContact CD1-CE2 4.35Å; L143-F208 HydrophobicContact CD1-CZ 3.81Å; L143-F208 HydrophobicContact CD2-CD2 4.19Å; L143-F208 HydrophobicContact CD2-CE2 3.85Å; L143-F208 HydrophobicContact CD2-CZ 4.16Å; L143-I217 HydrophobicContact CB-CB 3.93Å; L143-I217 HydrophobicContact CB-CG2 3.95Å; L143-I217 HydrophobicContact CD2-CB 4.06Å; L143-I217 HydrophobicContact CD2-CG2 3.8Å; L143-I217 HydrophobicContact CG-CG2 4.5Å; L143-I217 PolarHBondContact N-O 3.43Å; L143-V219 HydrophobicContact CB-CG2 4.03Å; L143-V219 HydrophobicContact CD1-CG2 3.95Å
144Y98.4Very high96.3Very high24 Ų2448.8 Ų48.89%0.09422%0.224CC..EExtended strand (participates in β ladder)trans-119163.5178.3-60.3-93.7000111.1D62 S63 Y134 I135 Y137 D140 G142 Y146D62-Y144 HydrophobicContact CB-CD1 4.21Å; D62-Y144 WeakPolarHBondContact O-CA 3.26Å; S63-Y144 VanDerWaalsContact OG-CE1 3.26Å; S63-Y144 WeakPolarHBondContact OG-CE1 3.35Å; Y134-Y144 VanDerWaalsContact CA-O 3.3Å; Y134-Y144 WeakPolarHBondContact CA-O 3.47Å; I135-Y144 PolarHBondContact N-O 2.78Å; I135-Y144 PolarHBondContact O-N 2.8Å; Y137-Y144 AromaticContact CD2-CD2 3.69Å; Y137-Y144 HydrophobicContact CD2-CD2 3.69Å; Y137-Y144 AromaticContact CD2-CE2 3.75Å; Y137-Y144 HydrophobicContact CD2-CE2 3.75Å; Y137-Y144 HydrophobicContact CD2-CG 4.41Å; Y137-Y144 AromaticContact CE2-CD2 3.65Å; Y137-Y144 HydrophobicContact CE2-CD2 3.65Å; Y137-Y144 HydrophobicContact CE2-CE2 4.1Å; Y137-Y144 AromaticContact CE2-CG 3.93Å; Y137-Y144 HydrophobicContact CE2-CG 3.93Å; D140-Y144 PolarHBondContact OD2-OH 3.09Å; G142-Y144 VanDerWaalsContact O-CD2 3.28Å; G142-Y144 WeakPolarHBondContact O-CD2 3.22Å; G142-Y144 WeakPolarHBondContact O-CE2 3.48Å; Y144-Y146 HydrophobicContact CD1-CE2 4.23Å; Y144-Y146 HydrophobicContact CG-CE2 4.15Å
145A97.5Very high96.2Very high1 Ų149.4 Ų49.41%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-135122.8169.500000112.7D62 I64 V126 L132 F133 Y134D62-A145 PolarHBondContact O-N 2.95Å; I64-A145 HydrophobicContact CD1-CB 3.66Å; I64-A145 HydrophobicContact CG1-CB 3.97Å; V126-A145 HydrophobicContact CG2-CB 4.42Å; L132-A145 HydrophobicContact CB-CB 4.45Å; L132-A145 HydrophobicContact CD1-CB 4.45Å; F133-A145 VanDerWaalsContact O-CA 3.26Å; F133-A145 WeakPolarHBondContact O-CA 3.42Å; Y134-A145 HydrophobicContact CD1-CB 4.32Å
146Y97.2Very high96.2Very high36 Ų3651.6 Ų51.614%0.14125%0.246CC..EExtended strand (participates in β ladder)trans-129.9158.5-178.8-70.8-80.6000111.7D62 F108 L132 F133 I135 Y137 Y144 L148D62-Y146 HydrophobicContact CB-CE1 3.77Å; D62-Y146 HydrophobicContact CB-CE2 4.14Å; D62-Y146 VanDerWaalsContact CB-CZ 3.46Å; D62-Y146 WeakPolarHBondContact CB-OH 3.42Å; D62-Y146 VanDerWaalsContact CG-OH 3.31Å; D62-Y146 WeakPolarHBondContact OD2-CE1 3.44Å; D62-Y146 PolarHBondContact OD2-OH 3.48Å; F108-Y146 HydrophobicContact CE1-CE1 4.24Å; F108-Y146 HydrophobicContact CZ-CE2 4.47Å; L132-Y146 WeakPolarHBondContact CA-O 3.35Å; F133-Y146 PolarHBondContact N-O 2.9Å; F133-Y146 PolarHBondContact O-N 3.46Å; I135-Y146 HydrophobicContact CG2-CD2 3.64Å; I135-Y146 HydrophobicContact CG2-CE2 4.32Å; Y137-Y146 HydrophobicContact CE2-CE2 4.13Å; Y137-Y146 WeakPolarHBondContact OH-CD2 3.17Å; Y137-Y146 VanDerWaalsContact OH-CE2 3.24Å; Y137-Y146 WeakPolarHBondContact OH-CE2 3.48Å; Y144-Y146 HydrophobicContact CD1-CE2 4.23Å; Y144-Y146 HydrophobicContact CG-CE2 4.15Å; Y146-L148 PolarHBondContact O-N 3.34Å
147Q95.5Very high96.2Very high86 Ų8650.9 Ų50.940%0.40224%0.242SC..  trans-81.462.9172.1-67.6-179.7-34.700110.6D131 L132 L149 D150 D151D131-Q147 WeakPolarHBondContact O-CA 3.29Å; D131-Q147 PolarHBondContact OD2-NE2 3.03Å; L132-Q147 HydrophobicContact CD2-CB 4.5Å; L132-Q147 HydrophobicContact CD2-CG 3.55Å; Q147-L149 PolarHBondContact O-N 2.95Å; Q147-D150 WeakPolarHBondContact O-CB 3.4Å; Q147-D150 PolarHBondContact O-N 2.78Å; Q147-D151 PolarHBondContact O-N 3.33Å
148L96.9Very high96.2Very high0 Ų055 Ų550%026%0.261CS..Hα-helixtrans-57.1-20-169.4-65.5-174.2000115.6L99 V122 F133 I135 Y146 D151 Y152 L157L99-L148 HydrophobicContact CD1-CB 4.22Å; V122-L148 HydrophobicContact CB-CD1 4.35Å; V122-L148 HydrophobicContact CG1-CD1 3.89Å; V122-L148 HydrophobicContact CG2-CD1 3.59Å; F133-L148 HydrophobicContact CB-CB 4.3Å; F133-L148 HydrophobicContact CB-CD1 3.5Å; F133-L148 HydrophobicContact CB-CG 3.86Å; F133-L148 HydrophobicContact CD2-CB 3.88Å; F133-L148 HydrophobicContact CD2-CG 4.32Å; F133-L148 HydrophobicContact CG-CB 4.18Å; F133-L148 HydrophobicContact CG-CD1 4.06Å; F133-L148 HydrophobicContact CG-CG 4.28Å; I135-L148 HydrophobicContact CB-CD1 4.37Å; I135-L148 HydrophobicContact CD1-CD1 4.15Å; I135-L148 HydrophobicContact CD1-CD2 4.23Å; Y146-L148 PolarHBondContact O-N 3.34Å; L148-D151 WeakPolarHBondContact CA-OD2 3.47Å; L148-Y152 VanDerWaalsContact O-CB 3.31Å; L148-Y152 WeakPolarHBondContact O-CB 3.48Å; L148-Y152 PolarHBondContact O-N 3.08Å; L148-L157 HydrophobicContact CB-CD2 3.79Å; L148-L157 HydrophobicContact CD1-CD2 4.36Å; L148-L157 HydrophobicContact CD2-CD1 4.18Å; L148-L157 HydrophobicContact CD2-CD2 4.04Å; L148-L157 HydrophobicContact CG-CD2 4.29Å
149L95.5Very high96.2Very high2 Ų249 Ų491%0.0124%0.237CC..Hα-helixtrans-70.8-32173.4-62.9177.2000112.5L95 A96 L99 F133 Q147 K153L95-L149 HydrophobicContact CB-CD2 4.03Å; L95-L149 HydrophobicContact CD2-CD2 3.69Å; L95-L149 HydrophobicContact CG-CD2 3.61Å; A96-L149 HydrophobicContact CB-CD1 4.43Å; A96-L149 HydrophobicContact CB-CD2 4.44Å; L99-L149 HydrophobicContact CD1-CD2 3.76Å; F133-L149 HydrophobicContact CE2-CD1 4.08Å; F133-L149 HydrophobicContact CE2-CD2 4.37Å; F133-L149 HydrophobicContact CE2-CG 3.7Å; F133-L149 HydrophobicContact CZ-CD1 4.14Å; F133-L149 HydrophobicContact CZ-CD2 4.16Å; F133-L149 HydrophobicContact CZ-CG 3.91Å; Q147-L149 PolarHBondContact O-N 2.95Å; L149-K153 WeakPolarHBondContact O-CD 2.98Å; L149-K153 VanDerWaalsContact O-CG 3.24Å; L149-K153 WeakPolarHBondContact O-CG 3.48Å; L149-K153 PolarHBondContact O-N 3.49Å
150D94.9Very high96.3Very high32 Ų3244.3 Ų44.317%0.17122%0.218CC..Hα-helixtrans-72.4-48.6172.7-68.2-42.4000109.7R91 Q147 Y152 K153 E154R91-D150 IonicContact CZ-OD1 3.97Å; R91-D150 IonicContact CZ-OD2 3.38Å; R91-D150 IonicContact NH1-OD1 3.62Å; R91-D150 PolarHBondContact NH1-OD1 2.91Å; R91-D150 IonicContact NH1-OD2 3.44Å; R91-D150 IonicContact NH2-OD1 2.65Å; R91-D150 PolarHBondContact NH2-OD1 2.92Å; R91-D150 IonicContact NH2-OD2 3.23Å; R91-D150 PolarHBondContact NH2-OD2 3.35Å; Q147-D150 WeakPolarHBondContact O-CB 3.4Å; Q147-D150 PolarHBondContact O-N 2.78Å; D150-Y152 PolarHBondContact O-N 3.16Å; D150-K153 PolarHBondContact O-N 3Å; D150-E154 WeakPolarHBondContact O-CG 3.28Å; D150-E154 PolarHBondContact O-N 3.22Å
151D96.8Very high95.9Very high26 Ų2646.4 Ų46.414%0.13924%0.235CC..Hα-helixtrans-55.9-39.3177.3-54.8-36.8000111.7H106 Q147 L148 G155 N156 L157H106-D151 IonicContact CE1-OD2 3.39Å; H106-D151 IonicContact NE2-OD2 3.04Å; H106-D151 PolarHBondContact NE2-OD2 2.93Å; Q147-D151 PolarHBondContact O-N 3.33Å; L148-D151 WeakPolarHBondContact CA-OD2 3.47Å; D151-G155 PolarHBondContact O-N 2.92Å; D151-N156 HydrophobicContact CB-CB 4.24Å; D151-N156 CarbonylContact O-C 3.59Å; D151-N156 WeakPolarHBondContact O-CA 3.31Å; D151-N156 PolarHBondContact O-N 2.72Å; D151-L157 HydrophobicContact CB-CB 3.85Å; D151-L157 PolarHBondContact O-N 3.4Å
152Y95.9Very high94.9Very high98 Ų9849.6 Ų49.638%0.38425%0.251SS..Hα-helixtrans-65-43.3174.9-175.7-89.9000112.7L95 L148 D150 E154 G155 L157L95-Y152 HydrophobicContact CD1-CD1 4.24Å; L95-Y152 HydrophobicContact CD1-CE1 4.1Å; L95-Y152 HydrophobicContact CD1-CE2 4.44Å; L95-Y152 HydrophobicContact CD1-CG 4.47Å; L95-Y152 HydrophobicContact CD2-CD1 3.54Å; L95-Y152 HydrophobicContact CD2-CE1 3.97Å; L95-Y152 HydrophobicContact CD2-CG 4.09Å; L148-Y152 VanDerWaalsContact O-CB 3.31Å; L148-Y152 WeakPolarHBondContact O-CB 3.48Å; L148-Y152 PolarHBondContact O-N 3.08Å; D150-Y152 PolarHBondContact O-N 3.16Å; Y152-E154 VanDerWaalsContact C-N 3.34Å; Y152-G155 PolarHBondContact O-N 2.91Å; Y152-L157 WeakPolarHBondContact CD2-O 3.37Å
153K94.9Very high92.8Very high117 Ų11755 Ų5551%0.50928%0.283SS..Hα-helixtrans-68.5-34.6-179.9-75.1172.1-177.1-178.80112.5L149 D150 G155L149-K153 WeakPolarHBondContact O-CD 2.98Å; L149-K153 VanDerWaalsContact O-CG 3.24Å; L149-K153 WeakPolarHBondContact O-CG 3.48Å; L149-K153 PolarHBondContact O-N 3.49Å; D150-K153 PolarHBondContact O-N 3Å; K153-G155 PolarHBondContact O-N 3.03Å
154E95.9Very high90.1Very high132 Ų13261 Ų6162%0.61732%0.322SS*.Hα-helixtrans-78.2-8.7177.5-67.5175.4-175.100112.5D150 Y152 N156D150-E154 WeakPolarHBondContact O-CG 3.28Å; D150-E154 PolarHBondContact O-N 3.22Å; Y152-E154 VanDerWaalsContact C-N 3.34Å; E154-N156 VanDerWaalsContact C-N 3.33Å; E154-N156 PolarHBondContact OE2-ND2 2.82Å
155G96.1Very high87.5Confident27 Ų2767.2 Ų67.228%0.27836%0.356SS..THydrogen-bonded Turntrans79.914.6-177.700000113.8D151 Y152 K153 H158D151-G155 PolarHBondContact O-N 2.92Å; Y152-G155 PolarHBondContact O-N 2.91Å; K153-G155 PolarHBondContact O-N 3.03Å; G155-H158 PolarHBondContact O-CE1 3.13Å; G155-H158 PolarHBondContact O-NE2 2.8Å
156N97.3Very high84.5Confident46 Ų4671.4 Ų71.425%0.24639%0.39CS..  trans-86.3-15.3175.6-65.6-34.7000112.6H106 K107 D151 E154H106-N156 PolarHBondContact CD2-O 2.7Å; K107-N156 HydrophobicContact CB-CB 4.39Å; K107-N156 WeakPolarHBondContact CB-O 3.25Å; K107-N156 PolarHBondContact N-O 2.68Å; D151-N156 HydrophobicContact CB-CB 4.24Å; D151-N156 CarbonylContact O-C 3.59Å; D151-N156 WeakPolarHBondContact O-CA 3.31Å; D151-N156 PolarHBondContact O-N 2.72Å; E154-N156 VanDerWaalsContact C-N 3.33Å; E154-N156 PolarHBondContact OE2-ND2 2.82Å
157L97.9Very high81.7Confident1 Ų178.1 Ų78.11%0.00542%0.423CS..EExtended strand (participates in β ladder)trans-122.8125.6177.1-168.276.9000111.8L99 V104 H106 L148 D151 Y152L99-L157 HydrophobicContact CD1-CD2 4.5Å; L99-L157 HydrophobicContact CD2-CD2 3.95Å; V104-L157 HydrophobicContact CB-CD1 3.92Å; V104-L157 HydrophobicContact CB-CG 4.44Å; V104-L157 HydrophobicContact CG1-CD1 4.38Å; V104-L157 HydrophobicContact CG1-CG 4.49Å; V104-L157 HydrophobicContact CG2-CD1 3.96Å; H106-L157 HydrophobicContact CB-CD1 3.75Å; L148-L157 HydrophobicContact CB-CD2 3.79Å; L148-L157 HydrophobicContact CD1-CD2 4.36Å; L148-L157 HydrophobicContact CD2-CD1 4.18Å; L148-L157 HydrophobicContact CD2-CD2 4.04Å; L148-L157 HydrophobicContact CG-CD2 4.29Å; D151-L157 HydrophobicContact CB-CB 3.85Å; D151-L157 PolarHBondContact O-N 3.4Å; Y152-L157 WeakPolarHBondContact CD2-O 3.37Å
158H96.9Very high79.1Confident92 Ų9283.3 Ų83.343%0.42645%0.448SS..EExtended strand (participates in β ladder)trans-120.8129.9175.5-59.8-56.3000111.4V104 Q105 G155V104-H158 CarbonylContact C-O 3.58Å; V104-H158 VanDerWaalsContact CA-O 3.23Å; V104-H158 WeakPolarHBondContact CA-O 3.24Å; Q105-H158 PolarHBondContact N-O 3.26Å; Q105-H158 PolarHBondContact O-N 2.91Å; G155-H158 PolarHBondContact O-CE1 3.13Å; G155-H158 PolarHBondContact O-NE2 2.8Å
159M95.3Very high76.7Confident56 Ų5689.8 Ų89.828%0.27647%0.472SS..EExtended strand (participates in β ladder)trans-71.9128.4170.2-70.9173.749.100109.9L99 R102 V104L99-M159 HydrophobicContact CD2-CG 3.9Å; L99-M159 HydrophobicContact CD2-SD 4.03Å; R102-M159 HydrophobicContact CG-CE 3.9Å; V104-M159 HydrophobicContact CG1-CG 4.49Å
160I93.3Very high74.2Confident50 Ų5094.6 Ų94.626%0.25651%0.506SS..PPolyproline II helixtrans-79132.9172.1-58.7173.9000107.2R102 A103 R119 D162R102-I160 PolarHBondContact NH2-O 2.86Å; A103-I160 HydrophobicContact CB-CB 4.18Å; A103-I160 HydrophobicContact CB-CD1 4.28Å; A103-I160 PolarHBondContact O-N 3.33Å; R119-I160 HydrophobicContact CG-CD1 4.16Å; I160-D162 PolarHBondContact O-N 2.8Å
161P86.7Confident71.9Confident107 Ų10796.6 Ų96.670%0.69553%0.534SS*.PPolyproline II helixtrans-57.5134172.7-2232.3000109.9T163P161-T163 PolarHBondContact O-N 2.98Å
162D75Confident69.7Low103 Ų103102.6 Ų102.655%0.55157%0.566SS**PPolyproline II helixtrans-64.9123.3177.7-59.8-37.6000108.4R102 I160R102-D162 VanDerWaalsContact CZ-CG 3.41Å; R102-D162 IonicContact CZ-OD1 3.69Å; R102-D162 VanDerWaalsContact CZ-OD1 3.24Å; R102-D162 IonicContact CZ-OD2 2.66Å; R102-D162 IonicContact NE-OD1 3.27Å; R102-D162 PolarHBondContact NE-OD1 2.62Å; R102-D162 IonicContact NE-OD2 3.4Å; R102-D162 IonicContact NH1-OD1 2.71Å; R102-D162 IonicContact NH1-OD2 3.24Å; R102-D162 PolarHBondContact NH1-OD2 2.79Å; R102-D162 IonicContact NH2-OD1 3.35Å; R102-D162 PolarHBondContact NH2-OD1 3.5Å; R102-D162 IonicContact NH2-OD2 3.75Å; R102-D162 PolarHBondContact NH2-OD2 2.79Å; I160-D162 PolarHBondContact O-N 2.8Å
163T53.3Low67.6Low117 Ų117103 Ų10372%0.71858%0.575SS**PPolyproline II helixtrans-75.1130.8155.344.60000106.9P161 L165P161-T163 PolarHBondContact O-N 2.98Å; T163-L165 PolarHBondContact O-N 3.07Å
164P41.6Very low65.8Low128 Ų12899.8 Ų99.883%0.83157%0.567SS**  trans-55113.2-179.721.8-31000108.8A166P164-A166 PolarHBondContact O-N 3.38Å
165L43.3Very low64.2Low154 Ų15499 Ų9981%0.80657%0.567SS**  trans-73118.7179-16774.7000106.8T163 E167T163-L165 PolarHBondContact O-N 3.07Å; L165-E167 PolarHBondContact O-N 3.21Å
166A33.8Very low62.9Low89 Ų89102 Ų10274%0.73658%0.58SS**SBendtrans-57.8125.6172.600000109.6P164P164-A166 PolarHBondContact O-N 3.38Å
167E38.4Very low62.2Low177 Ų177102.6 Ų102.683%0.82758%0.582SS**  trans65.394.3168.6-59.4-176.8-178.800116.5L165 R169L165-E167 PolarHBondContact O-N 3.21Å; E167-R169 PolarHBondContact O-N 2.73Å; E167-R169 VanDerWaalsContact O-N 3.13Å
168E40.9Very low61.7Low196 Ų196104.7 Ų104.792%0.91659%0.593SS**  trans-48.5108.6154.4-172.7174.8-161.100109.3S170E168-S170 PolarHBondContact O-N 2.96Å
169R47.5Very low61.2Low135 Ų135101.3 Ų101.351%0.50958%0.583SS.*  trans-67.9128169.1-75.3-174.2166.8-137.3-8.8108.4E167 G171 P224E167-R169 PolarHBondContact O-N 2.73Å; E167-R169 VanDerWaalsContact O-N 3.13Å; R169-G171 PolarHBondContact O-N 2.81Å; R169-P224 VanDerWaalsContact NH2-CD 3.26Å
170S43.5Very low61Low104 Ų104102.2 Ų102.273%0.72759%0.589SS**  trans-52.1130.9167.846.70000109.7E168 D172E168-S170 PolarHBondContact O-N 2.96Å; S170-D172 PolarHBondContact O-N 3.44Å
171G46.1Very low60.8Low73 Ų73108.1 Ų108.175%0.75361%0.608SS**THydrogen-bonded Turntrans-7236-169.100000116.3R169R169-G171 PolarHBondContact O-N 2.81Å
172D50.1Low61Low153 Ų153104.5 Ų104.582%0.81858%0.584SS**THydrogen-bonded Turntrans-104.4-6.6-173.6-130.613.5000114.4S170S170-D172 PolarHBondContact O-N 3.44Å
173D52.7Low61.7Low107 Ų107104.1 Ų104.157%0.57258%0.579SS**  trans-108.215.7-175.6-104.8-6.4000113.8D175D173-D175 PolarHBondContact O-N 2.95Å
174S57Low63.2Low49 Ų49103.5 Ų103.534%0.34356%0.564SS.*THydrogen-bonded Turntrans-66.8-29.9-164.857.40000114.4Q199S174-Q199 PolarHBondContact O-NE2 2.87Å; S174-Q199 PolarHBondContact O-OE1 2.97Å
175D61.2Low65.4Low115 Ų115100.9 Ų100.962%0.61555%0.546SS*.THydrogen-bonded Turntrans-99.4-4.7-176.2-80.2-26.1000115.7D173 L177 I178D173-D175 PolarHBondContact O-N 2.95Å; D175-L177 PolarHBondContact O-N 3.28Å; D175-I178 PolarHBondContact O-N 3.44Å; D175-I178 VanDerWaalsContact O-N 3.17Å; D175-I178 WeakPolarHBondContact OD1-CD1 3.44Å
176V68.5Low67.3Low90 Ų9099 Ų9955%0.54553%0.528SS..THydrogen-bonded Turntrans-61.7-25.5-164.6-177.70000113.6N180V176-N180 PolarHBondContact O-ND2 2.84Å
177L83.6Confident69.8Low58 Ų58105.3 Ų105.330%0.30454%0.539SS..THydrogen-bonded Turntrans-98.8-16.5-176.6-62.6-178000114.6D175 G179 N180 V196 Y207 M222D175-L177 PolarHBondContact O-N 3.28Å; L177-G179 PolarHBondContact O-N 2.94Å; L177-N180 VanDerWaalsContact O-CB 3.3Å; L177-N180 WeakPolarHBondContact O-CB 3.48Å; L177-N180 PolarHBondContact O-N 3.18Å; L177-V196 HydrophobicContact CB-CG1 4.48Å; L177-V196 VanDerWaalsContact O-CB 3.25Å; L177-V196 WeakPolarHBondContact O-CB 3.27Å; L177-Y207 HydrophobicContact CB-CD1 4.48Å; L177-Y207 HydrophobicContact CB-CE1 3.9Å; L177-Y207 HydrophobicContact CD1-CE1 4.37Å; L177-Y207 HydrophobicContact CD1-CE2 3.98Å; L177-M222 HydrophobicContact CD1-CB 3.96Å; L177-M222 HydrophobicContact CD1-CG 4.22Å
178I86.8Confident72.3Confident45 Ų45102.6 Ų102.623%0.23153%0.53CS..THydrogen-bonded Turntrans-66128.8-174.7-53.8-178.2000109.4T49 D175 N180 Q199T49-I178 HydrophobicContact CG2-CG2 3.4Å; D175-I178 PolarHBondContact O-N 3.44Å; D175-I178 VanDerWaalsContact O-N 3.17Å; D175-I178 WeakPolarHBondContact OD1-CD1 3.44Å; I178-N180 VanDerWaalsContact C-N 3.29Å; I178-Q199 HydrophobicContact CD1-CB 4.03Å; I178-Q199 HydrophobicContact CG1-CB 4.35Å
179G87.6Confident74.6Confident21 Ų2195.6 Ų95.622%0.21651%0.51CS..THydrogen-bonded Turntrans88.2-11.5-177.400000114.6L177 K195 V196L177-G179 PolarHBondContact O-N 2.94Å; G179-K195 WeakPolarHBondContact O-CE 3.42Å; G179-K195 WeakPolarHBondContact O-CG 3.24Å; G179-V196 WeakPolarHBondContact CA-O 3.16Å; G179-V196 PolarHBondContact N-O 3.4Å
180N90Very high76.6Confident75 Ų7591.2 Ų91.240%0.40150%0.501SS..  trans-69146.6176.5-69-11.9000111.4V176 L177 I178 K195 V196V176-N180 PolarHBondContact O-ND2 2.84Å; L177-N180 VanDerWaalsContact O-CB 3.3Å; L177-N180 WeakPolarHBondContact O-CB 3.48Å; L177-N180 PolarHBondContact O-N 3.18Å; I178-N180 VanDerWaalsContact C-N 3.29Å; N180-K195 WeakPolarHBondContact O-CA 3.22Å; N180-V196 PolarHBondContact O-N 3.07Å
181W90.3Very high78.9Confident175 Ų17592.2 Ų92.266%0.66349%0.492SS*.EExtended strand (participates in β ladder)trans-77.6136.6169.9-70.195.8000110.1G194W181-G194 CarbonylContact C-O 3.56Å; W181-G194 WeakPolarHBondContact CA-O 3Å
182V90.4Very high81Confident31 Ų3190 Ų9019%0.18846%0.461CS..EExtended strand (participates in β ladder)trans-121.6144.4175.4-68.40000109.6F193 G194 V196 I209V182-F193 WeakPolarHBondContact O-CA 3.46Å; V182-G194 WeakPolarHBondContact CG2-O 3.3Å; V182-G194 PolarHBondContact N-O 2.88Å; V182-G194 PolarHBondContact O-N 2.66Å; V182-V196 HydrophobicContact CG1-CG2 3.68Å; V182-I209 HydrophobicContact CG2-CD1 4.12Å; V182-I209 HydrophobicContact CG2-CG1 4.48Å; V182-I209 HydrophobicContact CG2-CG2 3.57Å
183Q89.9Confident83Confident95 Ų9587.5 Ų87.544%0.44444%0.444SS..EExtended strand (participates in β ladder)trans-115.8125.1175.3-171.1-166.3-75.400109K191 K192 F193Q183-K191 HydrophobicContact CG-CB 4.04Å; Q183-K191 HydrophobicContact CG-CD 4.33Å; Q183-K191 HydrophobicContact CG-CG 4.19Å; Q183-K191 VanDerWaalsContact NE2-CD 3.33Å; Q183-K192 WeakPolarHBondContact CA-O 3.38Å; Q183-F193 HydrophobicContact CB-CD1 4.14Å; Q183-F193 HydrophobicContact CB-CE1 4.01Å; Q183-F193 HydrophobicContact CG-CD1 4.08Å; Q183-F193 HydrophobicContact CG-CE1 3.67Å; Q183-F193 HydrophobicContact CG-CZ 4.06Å
184Y84.9Confident84.9Confident104 Ų10482.4 Ų82.441%0.40842%0.416SS..EExtended strand (participates in β ladder)trans-107.8128.9171.5175.9-103.1000109.4R186 K191 K192Y184-R186 HydrophobicContact CD1-CG 3.99Å; Y184-R186 HydrophobicContact CE1-CB 4.42Å; Y184-R186 HydrophobicContact CE1-CG 3.72Å; Y184-K191 CarbonylContact O-C 3.42Å; Y184-K191 WeakPolarHBondContact O-CA 3.28Å; Y184-K192 PolarHBondContact N-O 2.89Å; Y184-K192 PolarHBondContact O-N 3.02Å
185T86.4Confident86.6Confident72 Ų7283.1 Ų83.144%0.44241%0.413SS..EExtended strand (participates in β ladder)trans-98.3117.9175-50.50000108.3
186R84.7Confident88.1Confident114 Ų11477.7 Ų77.743%0.4338%0.384SS..  trans-71.8167.1176.3-73.2174.1171.1-175.70.3110.6Y184 D188 G189 S190Y184-R186 HydrophobicContact CD1-CG 3.99Å; Y184-R186 HydrophobicContact CE1-CB 4.42Å; Y184-R186 HydrophobicContact CE1-CG 3.72Å; R186-D188 WeakPolarHBondContact CB-OD1 3.28Å; R186-D188 PolarHBondContact O-N 2.85Å; R186-G189 PolarHBondContact O-N 2.78Å; R186-S190 VanDerWaalsContact CD-OG 3.27Å; R186-S190 WeakPolarHBondContact CD-OG 3.4Å; R186-S190 PolarHBondContact N-O 2.6Å
187K86.3Confident89.3Confident223 Ų22373.5 Ų73.597%0.9736%0.359SS*.THydrogen-bonded Turntrans-59-30.1178.5-68.7-174.3178.6-179.30113.4G189K187-G189 PolarHBondContact O-N 2.87Å
188D90.8Very high89.7Confident119 Ų11974.2 Ų74.264%0.63636%0.358SS*.THydrogen-bonded Turntrans-79.72.8176.462.85.5000113.4R186 S190R186-D188 WeakPolarHBondContact CB-OD1 3.28Å; R186-D188 PolarHBondContact O-N 2.85Å; D188-S190 VanDerWaalsContact CG-OG 3.29Å; D188-S190 PolarHBondContact O-N 3.02Å; D188-S190 VanDerWaalsContact OD1-CB 3.25Å; D188-S190 WeakPolarHBondContact OD1-CB 3.24Å; D188-S190 PolarHBondContact OD1-N 3.26Å; D188-S190 PolarHBondContact OD1-OG 3.29Å; D188-S190 PolarHBondContact OD2-OG 2.83Å
189G88.9Confident89.9Confident49 Ų4972.7 Ų72.751%0.50535%0.35SS..SBendtrans82-8.4-177.100000114.5R186 K187R186-G189 PolarHBondContact O-N 2.78Å; K187-G189 PolarHBondContact O-N 2.87Å
190S89.7Confident90.1Very high44 Ų4471.8 Ų71.831%0.30834%0.341SS..  trans-67.8145176.769.70000111.1R186 D188R186-S190 VanDerWaalsContact CD-OG 3.27Å; R186-S190 WeakPolarHBondContact CD-OG 3.4Å; R186-S190 PolarHBondContact N-O 2.6Å; D188-S190 VanDerWaalsContact CG-OG 3.29Å; D188-S190 PolarHBondContact O-N 3.02Å; D188-S190 VanDerWaalsContact OD1-CB 3.25Å; D188-S190 WeakPolarHBondContact OD1-CB 3.24Å; D188-S190 PolarHBondContact OD1-N 3.26Å; D188-S190 PolarHBondContact OD1-OG 3.29Å; D188-S190 PolarHBondContact OD2-OG 2.83Å
191K90.2Very high90.1Very high125 Ų12575 Ų7554%0.54336%0.357SS..EExtended strand (participates in β ladder)trans-104.2131.9-176.5-68.4170.5173.3-171.10110.2Q183 Y184 F193Q183-K191 HydrophobicContact CG-CB 4.04Å; Q183-K191 HydrophobicContact CG-CD 4.33Å; Q183-K191 HydrophobicContact CG-CG 4.19Å; Q183-K191 VanDerWaalsContact NE2-CD 3.33Å; Y184-K191 CarbonylContact O-C 3.42Å; Y184-K191 WeakPolarHBondContact O-CA 3.28Å; K191-F193 HydrophobicContact CB-CE2 4.13Å; K191-F193 HydrophobicContact CB-CZ 4.33Å
192K90.7Very high90Very high25 Ų2569.1 Ų69.111%0.10935%0.346CS..EExtended strand (participates in β ladder)trans-111127.9172.4-153.8-176.4-172.9-168.20108.7Q183 Y184 F211 D214 Y218Q183-K192 WeakPolarHBondContact CA-O 3.38Å; Y184-K192 PolarHBondContact N-O 2.89Å; Y184-K192 PolarHBondContact O-N 3.02Å; K192-F211 HydrophobicContact CB-CD1 3.98Å; K192-F211 HydrophobicContact CB-CE1 4.23Å; K192-F211 HydrophobicContact CD-CB 3.8Å; K192-F211 HydrophobicContact CD-CD1 3.73Å; K192-F211 HydrophobicContact CD-CD2 4.19Å; K192-F211 HydrophobicContact CD-CE1 4.37Å; K192-F211 HydrophobicContact CD-CG 3.64Å; K192-F211 VanDerWaalsContact CE-CB 3.45Å; K192-F211 HydrophobicContact CG-CB 4.09Å; K192-F211 HydrophobicContact CG-CD1 3.65Å; K192-F211 HydrophobicContact CG-CE1 4.36Å; K192-F211 HydrophobicContact CG-CG 4.01Å; K192-D214 IonicContact NZ-OD2 2.64Å; K192-D214 PolarHBondContact NZ-OD2 3.38Å; K192-Y218 PolarHBondContact NZ-OH 2.94Å
193F93.1Very high89.9Confident101 Ų10170.1 Ų70.144%0.44335%0.35SS..EExtended strand (participates in β ladder)trans-101.2137.9177.9-63.2-87000110.2V182 Q183 K191 F211 H212V182-F193 WeakPolarHBondContact O-CA 3.46Å; Q183-F193 HydrophobicContact CB-CD1 4.14Å; Q183-F193 HydrophobicContact CB-CE1 4.01Å; Q183-F193 HydrophobicContact CG-CD1 4.08Å; Q183-F193 HydrophobicContact CG-CE1 3.67Å; Q183-F193 HydrophobicContact CG-CZ 4.06Å; K191-F193 HydrophobicContact CB-CE2 4.13Å; K191-F193 HydrophobicContact CB-CZ 4.33Å; F193-F211 WeakPolarHBondContact O-CD1 3.31Å; F193-H212 PolarHBondContact O-N 3.39Å
194G92.4Very high89.8Confident0 Ų068.7 Ų68.70%035%0.349CS..EExtended strand (participates in β ladder)trans-146.7172.1178.400000111.6W181 V182 K210W181-G194 CarbonylContact C-O 3.56Å; W181-G194 WeakPolarHBondContact CA-O 3Å; V182-G194 WeakPolarHBondContact CG2-O 3.3Å; V182-G194 PolarHBondContact N-O 2.88Å; V182-G194 PolarHBondContact O-N 2.66Å; G194-K210 CarbonylContact C-O 3.5Å; G194-K210 WeakPolarHBondContact CA-O 3.49Å
195K93Very high89.9Confident64 Ų6465.6 Ų65.628%0.27834%0.342SS..EExtended strand (participates in β ladder)trans-115.9137.7177-161.3174.2-177-1790108.9G179 N180 V197 I209 K210G179-K195 WeakPolarHBondContact O-CE 3.42Å; G179-K195 WeakPolarHBondContact O-CG 3.24Å; N180-K195 WeakPolarHBondContact O-CA 3.22Å; K195-V197 HydrophobicContact CB-CG1 4.38Å; K195-V197 PolarHBondContact O-N 2.86Å; K195-I209 WeakPolarHBondContact O-CA 3.47Å; K195-K210 PolarHBondContact N-O 3.4Å; K195-K210 PolarHBondContact O-N 3.35Å
196V92.9Very high90.1Very high1 Ų162.6 Ų62.61%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-71.3119.8166.5179.30000107.4L177 G179 N180 V182 Y207L177-V196 HydrophobicContact CB-CG1 4.48Å; L177-V196 VanDerWaalsContact O-CB 3.25Å; L177-V196 WeakPolarHBondContact O-CB 3.27Å; G179-V196 WeakPolarHBondContact CA-O 3.16Å; G179-V196 PolarHBondContact N-O 3.4Å; N180-V196 PolarHBondContact O-N 3.07Å; V182-V196 HydrophobicContact CG1-CG2 3.68Å; V196-Y207 HydrophobicContact CG1-CD1 3.51Å; V196-Y207 HydrophobicContact CG1-CE1 4.35Å; V196-Y207 HydrophobicContact CG1-CG 4.09Å
197V93.1Very high90.5Very high3 Ų357.8 Ų57.82%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-112.1-19.9-171.8-65.10000114L47 T49 L53 K195 F208 K210 I217L47-V197 HydrophobicContact CD1-CB 3.89Å; L47-V197 HydrophobicContact CD1-CG1 4.48Å; L47-V197 HydrophobicContact CD1-CG2 3.82Å; L47-V197 HydrophobicContact CD2-CG2 4.46Å; T49-V197 PolarHBondContact OG1-O 2.84Å; L53-V197 HydrophobicContact CD2-CG1 4.11Å; K195-V197 HydrophobicContact CB-CG1 4.38Å; K195-V197 PolarHBondContact O-N 2.86Å; V197-F208 HydrophobicContact CG2-CB 3.83Å; V197-F208 WeakPolarHBondContact CG2-O 3.25Å; V197-F208 PolarHBondContact N-O 2.88Å; V197-K210 HydrophobicContact CG1-CB 3.82Å; V197-K210 HydrophobicContact CG2-CB 4.35Å; V197-I217 HydrophobicContact CG2-CD1 4.43Å
198Y92.1Very high90.9Very high72 Ų7247.4 Ų47.428%0.28226%0.261SS..EExtended strand (participates in β ladder)trans-158.6148.8-179.2-174.2-101.2000110.5L47 Y207 F208L47-Y198 HydrophobicContact CD2-CD2 4.49Å; Y198-Y207 CarbonylContact O-C 3.57Å; Y198-Y207 WeakPolarHBondContact O-CA 3.39Å; Y198-F208 HydrophobicContact CD1-CD1 4.47Å; Y198-F208 AromaticContact CD1-CD2 3.61Å; Y198-F208 HydrophobicContact CD1-CD2 3.61Å; Y198-F208 HydrophobicContact CD1-CE1 4.39Å; Y198-F208 AromaticContact CD1-CE2 3.55Å; Y198-F208 HydrophobicContact CD1-CE2 3.55Å; Y198-F208 HydrophobicContact CD1-CG 4.08Å; Y198-F208 AromaticContact CD1-CZ 3.96Å; Y198-F208 HydrophobicContact CD1-CZ 3.96Å; Y198-F208 HydrophobicContact CE1-CE2 4.14Å; Y198-F208 HydrophobicContact CE1-CZ 4.33Å; Y198-F208 AromaticContact CG-CD2 3.95Å; Y198-F208 HydrophobicContact CG-CD2 3.95Å; Y198-F208 HydrophobicContact CG-CE2 4.24Å; Y198-F208 HydrophobicContact CG-CG 4.49Å; Y198-F208 PolarHBondContact O-N 2.9Å
199Q91.4Very high91.1Very high14 Ų1441.9 Ų41.97%0.06523%0.231CC..EExtended strand (participates in β ladder)trans-110.8135.6170.3-177.3-171.951.600109.9S174 I178 L201 P204 Y207S174-Q199 PolarHBondContact O-NE2 2.87Å; S174-Q199 PolarHBondContact O-OE1 2.97Å; I178-Q199 HydrophobicContact CD1-CB 4.03Å; I178-Q199 HydrophobicContact CG1-CB 4.35Å; Q199-L201 PolarHBondContact O-N 2.86Å; Q199-P204 PolarHBondContact NE2-O 3.36Å; Q199-Y207 HydrophobicContact CB-CD1 3.87Å; Q199-Y207 HydrophobicContact CB-CE1 3.75Å; Q199-Y207 HydrophobicContact CG-CD1 4.06Å; Q199-Y207 HydrophobicContact CG-CE1 3.66Å; Q199-Y207 PolarHBondContact NE2-OH 3.22Å
200V90.8Very high91.4Very high2 Ų241.2 Ų41.21%0.01221%0.214CC..  trans-75.6116.5-179.9179.20000110.1L123 A202 N203 V206 F208L123-V200 HydrophobicContact CB-CG1 4.21Å; L123-V200 HydrophobicContact CB-CG2 4.46Å; L123-V200 HydrophobicContact CD2-CG2 4.34Å; L123-V200 WeakPolarHBondContact O-CG1 3.49Å; V200-A202 VanDerWaalsContact C-N 3.3Å; V200-A202 HydrophobicContact CG1-CB 4.43Å; V200-A202 PolarHBondContact O-N 3.28Å; V200-N203 CarbonylContact O-C 3.48Å; V200-N203 PolarHBondContact O-N 3.38Å; V200-V206 HydrophobicContact CB-CB 4.12Å; V200-V206 HydrophobicContact CB-CG1 4.31Å; V200-V206 HydrophobicContact CG2-CB 4.11Å; V200-V206 HydrophobicContact CG2-CG1 3.76Å; V200-V206 PolarHBondContact N-O 3.49Å; V200-F208 HydrophobicContact CG2-CD1 4.08Å; V200-F208 HydrophobicContact CG2-CE1 3.46Å; V200-F208 VanDerWaalsContact CG2-CE1 3.46Å; V200-F208 HydrophobicContact CG2-CZ 4.12Å
201L89.9Confident91.6Very high143 Ų14339.4 Ų39.475%0.74920%0.201SC*.THydrogen-bonded Turntrans-58.6-38.9-177.4-62.8176.9000113.5Q199 N203Q199-L201 PolarHBondContact O-N 2.86Å; L201-N203 PolarHBondContact O-N 2.83Å
202A89.1Confident91.7Very high51 Ų5140.9 Ų40.942%0.42121%0.209SC..THydrogen-bonded Turntrans-73.8-15179.700000113.4V100 V200V100-A202 HydrophobicContact CG1-CB 3.56Å; V200-A202 VanDerWaalsContact C-N 3.3Å; V200-A202 HydrophobicContact CG1-CB 4.43Å; V200-A202 PolarHBondContact O-N 3.28Å
203N87.9Confident91.6Very high51 Ų5142.5 Ų42.527%0.27323%0.233SC..  trans-151.690.4177.4-169.5-27.9000109.6V200 L201 S205 V206V200-N203 CarbonylContact O-C 3.48Å; V200-N203 PolarHBondContact O-N 3.38Å; L201-N203 PolarHBondContact O-N 2.83Å; N203-S205 PolarHBondContact O-N 3.02Å; N203-S205 PolarHBondContact OD1-N 2.78Å; N203-V206 HydrophobicContact CB-CB 4.32Å; N203-V206 HydrophobicContact CB-CG2 3.97Å; N203-V206 WeakPolarHBondContact O-CB 3.23Å; N203-V206 PolarHBondContact O-N 2.84Å
204P87.6Confident91.6Very high66 Ų6639 Ų3943%0.42922%0.219SC..THydrogen-bonded Turntrans-61.1-15.6-174.5-26.535.6000114.9Q199 V206 Y207Q199-P204 PolarHBondContact NE2-O 3.36Å; P204-V206 PolarHBondContact O-N 2.91Å; P204-Y207 VanDerWaalsContact O-CE2 3.32Å; P204-Y207 WeakPolarHBondContact O-CE2 3.41Å; P204-Y207 VanDerWaalsContact O-CZ 3.29Å; P204-Y207 PolarHBondContact O-OH 3.36Å
205S87.1Confident91.7Very high39 Ų3940.8 Ų40.827%0.27323%0.228SC..THydrogen-bonded Turntrans-78.2-8.8172.9-58.50000112.8N203 Y207 T221 M222N203-S205 PolarHBondContact O-N 3.02Å; N203-S205 PolarHBondContact OD1-N 2.78Å; S205-Y207 WeakPolarHBondContact O-CD2 3.25Å; S205-Y207 WeakPolarHBondContact O-CE2 3.39Å; S205-T221 CarbonylContact O-C 3.47Å; S205-T221 VanDerWaalsContact O-CA 3.28Å; S205-T221 WeakPolarHBondContact O-CA 3.22Å; S205-M222 PolarHBondContact O-N 2.84Å
206V91Very high91.9Very high8 Ų840.6 Ų40.65%0.04823%0.228CC..EExtended strand (participates in β ladder)trans-105.8131.8-175.9-179.40000110.8L123 V200 N203 P204 V219 Y220L123-V206 HydrophobicContact CD2-CG1 4.13Å; V200-V206 HydrophobicContact CB-CB 4.12Å; V200-V206 HydrophobicContact CB-CG1 4.31Å; V200-V206 HydrophobicContact CG2-CB 4.11Å; V200-V206 HydrophobicContact CG2-CG1 3.76Å; V200-V206 PolarHBondContact N-O 3.49Å; N203-V206 HydrophobicContact CB-CB 4.32Å; N203-V206 HydrophobicContact CB-CG2 3.97Å; N203-V206 WeakPolarHBondContact O-CB 3.23Å; N203-V206 PolarHBondContact O-N 2.84Å; P204-V206 PolarHBondContact O-N 2.91Å; V206-V219 HydrophobicContact CG1-CG1 3.37Å; V206-Y220 WeakPolarHBondContact CA-O 3.43Å
207Y93Very high92.1Very high13 Ų1340.5 Ų40.55%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-131148.1-172.8-65-91.5000112.1L177 V196 Y198 Q199 P204 S205 V219 Y220 M222L177-Y207 HydrophobicContact CB-CD1 4.48Å; L177-Y207 HydrophobicContact CB-CE1 3.9Å; L177-Y207 HydrophobicContact CD1-CE1 4.37Å; L177-Y207 HydrophobicContact CD1-CE2 3.98Å; V196-Y207 HydrophobicContact CG1-CD1 3.51Å; V196-Y207 HydrophobicContact CG1-CE1 4.35Å; V196-Y207 HydrophobicContact CG1-CG 4.09Å; Y198-Y207 CarbonylContact O-C 3.57Å; Y198-Y207 WeakPolarHBondContact O-CA 3.39Å; Q199-Y207 HydrophobicContact CB-CD1 3.87Å; Q199-Y207 HydrophobicContact CB-CE1 3.75Å; Q199-Y207 HydrophobicContact CG-CD1 4.06Å; Q199-Y207 HydrophobicContact CG-CE1 3.66Å; Q199-Y207 PolarHBondContact NE2-OH 3.22Å; P204-Y207 VanDerWaalsContact O-CE2 3.32Å; P204-Y207 WeakPolarHBondContact O-CE2 3.41Å; P204-Y207 VanDerWaalsContact O-CZ 3.29Å; P204-Y207 PolarHBondContact O-OH 3.36Å; S205-Y207 WeakPolarHBondContact O-CD2 3.25Å; S205-Y207 WeakPolarHBondContact O-CE2 3.39Å; Y207-V219 WeakPolarHBondContact O-CA 3.39Å; Y207-Y220 PolarHBondContact N-O 3.26Å; Y207-Y220 PolarHBondContact O-N 3.47Å; Y207-M222 HydrophobicContact CD2-CB 3.75Å; Y207-M222 HydrophobicContact CD2-CG 3.61Å; Y207-M222 HydrophobicContact CE2-CB 3.8Å; Y207-M222 HydrophobicContact CE2-CG 4.13Å; Y207-M222 HydrophobicContact CG-CG 4.34Å
208F94.9Very high92.3Very high5 Ų542.4 Ų42.42%0.02224%0.235CC..EExtended strand (participates in β ladder)trans-89.2132.3166.4-60.6-5.1000109.3L123 L143 V197 Y198 V200 I217 Y218 V219L123-F208 HydrophobicContact CD1-CE1 3.95Å; L123-F208 HydrophobicContact CD1-CZ 4.38Å; L143-F208 HydrophobicContact CD1-CE1 4.05Å; L143-F208 HydrophobicContact CD1-CE2 4.35Å; L143-F208 HydrophobicContact CD1-CZ 3.81Å; L143-F208 HydrophobicContact CD2-CD2 4.19Å; L143-F208 HydrophobicContact CD2-CE2 3.85Å; L143-F208 HydrophobicContact CD2-CZ 4.16Å; V197-F208 HydrophobicContact CG2-CB 3.83Å; V197-F208 WeakPolarHBondContact CG2-O 3.25Å; V197-F208 PolarHBondContact N-O 2.88Å; Y198-F208 HydrophobicContact CD1-CD1 4.47Å; Y198-F208 AromaticContact CD1-CD2 3.61Å; Y198-F208 HydrophobicContact CD1-CD2 3.61Å; Y198-F208 HydrophobicContact CD1-CE1 4.39Å; Y198-F208 AromaticContact CD1-CE2 3.55Å; Y198-F208 HydrophobicContact CD1-CE2 3.55Å; Y198-F208 HydrophobicContact CD1-CG 4.08Å; Y198-F208 AromaticContact CD1-CZ 3.96Å; Y198-F208 HydrophobicContact CD1-CZ 3.96Å; Y198-F208 HydrophobicContact CE1-CE2 4.14Å; Y198-F208 HydrophobicContact CE1-CZ 4.33Å; Y198-F208 AromaticContact CG-CD2 3.95Å; Y198-F208 HydrophobicContact CG-CD2 3.95Å; Y198-F208 HydrophobicContact CG-CE2 4.24Å; Y198-F208 HydrophobicContact CG-CG 4.49Å; Y198-F208 PolarHBondContact O-N 2.9Å; V200-F208 HydrophobicContact CG2-CD1 4.08Å; V200-F208 HydrophobicContact CG2-CE1 3.46Å; V200-F208 VanDerWaalsContact CG2-CE1 3.46Å; V200-F208 HydrophobicContact CG2-CZ 4.12Å; F208-I217 HydrophobicContact CB-CG2 3.73Å; F208-I217 HydrophobicContact CD2-CG2 4.17Å; F208-I217 HydrophobicContact CG-CG2 3.95Å; F208-Y218 CarbonylContact C-O 3.6Å; F208-Y218 VanDerWaalsContact CA-O 3.29Å; F208-Y218 WeakPolarHBondContact CA-O 3.46Å; F208-V219 HydrophobicContact CD1-CG1 4.33Å; F208-V219 HydrophobicContact CD1-CG2 3.92Å; F208-V219 HydrophobicContact CE1-CG1 4.38Å; F208-V219 HydrophobicContact CE1-CG2 4.04Å
209I94.5Very high92.5Very high3 Ų339.3 Ų39.32%0.01522%0.224CC..EExtended strand (participates in β ladder)trans-122.4126.4179.7-56.5176.1000108.5V182 K195 F211 Y218 Y220 M222V182-I209 HydrophobicContact CG2-CD1 4.12Å; V182-I209 HydrophobicContact CG2-CG1 4.48Å; V182-I209 HydrophobicContact CG2-CG2 3.57Å; K195-I209 WeakPolarHBondContact O-CA 3.47Å; I209-F211 HydrophobicContact CB-CE2 4.46Å; I209-F211 HydrophobicContact CG2-CD2 4.16Å; I209-F211 HydrophobicContact CG2-CE1 4.22Å; I209-F211 HydrophobicContact CG2-CE2 3.85Å; I209-F211 HydrophobicContact CG2-CG 4.48Å; I209-F211 HydrophobicContact CG2-CZ 3.88Å; I209-Y218 PolarHBondContact N-O 2.78Å; I209-Y218 PolarHBondContact O-N 3.1Å; I209-Y220 HydrophobicContact CD1-CD2 3.53Å; I209-Y220 HydrophobicContact CD1-CE2 4.37Å; I209-Y220 HydrophobicContact CD1-CG 4.13Å; I209-Y220 HydrophobicContact CG1-CD2 4.32Å; I209-M222 HydrophobicContact CD1-CE 3.28Å; I209-M222 HydrophobicContact CG1-CE 4.48Å
210K95.2Very high92.5Very high35 Ų3541.5 Ų41.515%0.15223%0.232CC..EExtended strand (participates in β ladder)trans-103109.6170.8-179.759.8177.856.30109L53 G66 G194 K195 V197 D214 I217L53-K210 HydrophobicContact CD1-CG 4.44Å; L53-K210 HydrophobicContact CD2-CB 4.14Å; L53-K210 HydrophobicContact CD2-CG 3.91Å; G66-K210 WeakPolarHBondContact O-CE 3.39Å; G194-K210 CarbonylContact C-O 3.5Å; G194-K210 WeakPolarHBondContact CA-O 3.49Å; K195-K210 PolarHBondContact N-O 3.4Å; K195-K210 PolarHBondContact O-N 3.35Å; V197-K210 HydrophobicContact CG1-CB 3.82Å; V197-K210 HydrophobicContact CG2-CB 4.35Å; K210-D214 WeakPolarHBondContact CE-O 3.37Å; K210-D214 PolarHBondContact NZ-O 3.4Å; K210-I217 HydrophobicContact CB-CD1 4.1Å; K210-I217 HydrophobicContact CD-CD1 3.95Å; K210-I217 HydrophobicContact CG-CD1 4.47Å
211F94.2Very high92.4Very high6 Ų645.7 Ų45.73%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-78.5148.9173.8-69.3-80.5000111.7K192 F193 I209 D214 Y218 Y220K192-F211 HydrophobicContact CB-CD1 3.98Å; K192-F211 HydrophobicContact CB-CE1 4.23Å; K192-F211 HydrophobicContact CD-CB 3.8Å; K192-F211 HydrophobicContact CD-CD1 3.73Å; K192-F211 HydrophobicContact CD-CD2 4.19Å; K192-F211 HydrophobicContact CD-CE1 4.37Å; K192-F211 HydrophobicContact CD-CG 3.64Å; K192-F211 VanDerWaalsContact CE-CB 3.45Å; K192-F211 HydrophobicContact CG-CB 4.09Å; K192-F211 HydrophobicContact CG-CD1 3.65Å; K192-F211 HydrophobicContact CG-CE1 4.36Å; K192-F211 HydrophobicContact CG-CG 4.01Å; F193-F211 WeakPolarHBondContact O-CD1 3.31Å; I209-F211 HydrophobicContact CB-CE2 4.46Å; I209-F211 HydrophobicContact CG2-CD2 4.16Å; I209-F211 HydrophobicContact CG2-CE1 4.22Å; I209-F211 HydrophobicContact CG2-CE2 3.85Å; I209-F211 HydrophobicContact CG2-CG 4.48Å; I209-F211 HydrophobicContact CG2-CZ 3.88Å; F211-D214 HydrophobicContact CB-CB 4.32Å; F211-D214 PolarHBondContact O-N 2.94Å; F211-Y218 AromaticContact CD2-CD2 3.41Å; F211-Y218 HydrophobicContact CD2-CD2 3.41Å; F211-Y218 VanDerWaalsContact CD2-CD2 3.41Å; F211-Y218 AromaticContact CD2-CE2 3.69Å; F211-Y218 HydrophobicContact CD2-CE2 3.69Å; F211-Y218 HydrophobicContact CD2-CG 4.06Å; F211-Y218 AromaticContact CE2-CD2 3.81Å; F211-Y218 HydrophobicContact CE2-CD2 3.81Å; F211-Y218 HydrophobicContact CE2-CE2 4.31Å; F211-Y218 AromaticContact CE2-CG 3.96Å; F211-Y218 HydrophobicContact CE2-CG 3.96Å; F211-Y220 HydrophobicContact CE2-CE2 4.11Å; F211-Y220 HydrophobicContact CZ-CE2 4.44Å
212H91.6Very high92Very high156 Ų15641.4 Ų41.472%0.72223%0.234SC*.THydrogen-bonded Turntrans-66143174.5-166.371.1000110.9F193 D214F193-H212 PolarHBondContact O-N 3.39Å; H212-D214 PolarHBondContact O-N 3.23Å
213G89.3Confident91.2Very high59 Ų5944.5 Ų44.561%0.60825%0.248SC*.THydrogen-bonded Turntrans70.8-10.7-177.600000116.1
214D93.3Very high89.8Confident28 Ų2845.1 Ų45.115%0.1525%0.254CS..  trans-93162.4175.6-148.9-46.6000111.3K192 K210 F211 H212 H216 Y218K192-D214 IonicContact NZ-OD2 2.64Å; K192-D214 PolarHBondContact NZ-OD2 3.38Å; K210-D214 WeakPolarHBondContact CE-O 3.37Å; K210-D214 PolarHBondContact NZ-O 3.4Å; F211-D214 HydrophobicContact CB-CB 4.32Å; F211-D214 PolarHBondContact O-N 2.94Å; H212-D214 PolarHBondContact O-N 3.23Å; D214-H216 IonicContact OD1-CE1 3.75Å; D214-H216 IonicContact OD1-CG 2.62Å; D214-H216 PolarHBondContact OD1-N 3.28Å; D214-H216 IonicContact OD1-ND1 2.68Å; D214-H216 PolarHBondContact OD1-ND1 3.32Å; D214-Y218 PolarHBondContact OD2-OH 3.2Å
215I94.8Very high88.2Confident38 Ų3851.1 Ų51.120%0.19527%0.274CS..  trans-108.6-15.3170.856.8169.6000112W29 Y65 G66W29-I215 HydrophobicContact CH2-CG2 3.9Å; W29-I215 HydrophobicContact CZ2-CG2 4.47Å; Y65-I215 CarbonylContact C-O 3.59Å; Y65-I215 WeakPolarHBondContact CA-O 3.43Å; Y65-I215 HydrophobicContact CD1-CB 3.92Å; Y65-I215 HydrophobicContact CD1-CD1 3.53Å; Y65-I215 HydrophobicContact CD1-CG1 3.58Å; Y65-I215 HydrophobicContact CE1-CD1 3.5Å; Y65-I215 VanDerWaalsContact CE1-CD1 3.5Å; Y65-I215 HydrophobicContact CE1-CG1 3.8Å; G66-I215 PolarHBondContact N-O 2.8Å
216H97Very high86Confident59 Ų5956.4 Ų56.427%0.27330%0.297SS..BIsolated β-bridgetrans-76.2148.8179.3-60.687.4000112.1Y65 D214 Y218Y65-H216 AromaticContact CE1-CD2 3.73Å; Y65-H216 AromaticContact CE1-CE1 4Å; Y65-H216 AromaticContact CE1-NE2 3.49Å; Y65-H216 WeakPolarHBondContact CE1-NE2 3.44Å; D214-H216 IonicContact OD1-CE1 3.75Å; D214-H216 IonicContact OD1-CG 2.62Å; D214-H216 PolarHBondContact OD1-N 3.28Å; D214-H216 IonicContact OD1-ND1 2.68Å; D214-H216 PolarHBondContact OD1-ND1 3.32Å; H216-Y218 HydrophobicContact CB-CD2 4.39Å; H216-Y218 HydrophobicContact CB-CE2 3.91Å
217I97.1Very high83.2Confident0 Ų063.2 Ų63.20%033%0.333CS..EExtended strand (participates in β ladder)trans-93.7129.5161.6-62-67.4000107.9L55 L143 V197 F208 K210L55-I217 HydrophobicContact CD2-CD1 4.13Å; L55-I217 HydrophobicContact CD2-CG1 3.81Å; L143-I217 HydrophobicContact CB-CB 3.93Å; L143-I217 HydrophobicContact CB-CG2 3.95Å; L143-I217 HydrophobicContact CD2-CB 4.06Å; L143-I217 HydrophobicContact CD2-CG2 3.8Å; L143-I217 HydrophobicContact CG-CG2 4.5Å; L143-I217 PolarHBondContact N-O 3.43Å; V197-I217 HydrophobicContact CG2-CD1 4.43Å; F208-I217 HydrophobicContact CB-CG2 3.73Å; F208-I217 HydrophobicContact CD2-CG2 4.17Å; F208-I217 HydrophobicContact CG-CG2 3.95Å; K210-I217 HydrophobicContact CB-CD1 4.1Å; K210-I217 HydrophobicContact CD-CD1 3.95Å; K210-I217 HydrophobicContact CG-CD1 4.47Å
218Y96.4Very high80.2Confident43 Ų4371.2 Ų71.217%0.16937%0.37CS..EExtended strand (participates in β ladder)trans-104.2149.1175.7-67.1-94.6000110.9P141 K192 F208 I209 F211 D214 H216 Y220P141-Y218 HydrophobicContact CG-CD1 4.31Å; P141-Y218 CarbonylContact O-C 3.08Å; P141-Y218 VanDerWaalsContact O-CA 3.31Å; P141-Y218 WeakPolarHBondContact O-CA 3.24Å; K192-Y218 PolarHBondContact NZ-OH 2.94Å; F208-Y218 CarbonylContact C-O 3.6Å; F208-Y218 VanDerWaalsContact CA-O 3.29Å; F208-Y218 WeakPolarHBondContact CA-O 3.46Å; I209-Y218 PolarHBondContact N-O 2.78Å; I209-Y218 PolarHBondContact O-N 3.1Å; F211-Y218 AromaticContact CD2-CD2 3.41Å; F211-Y218 HydrophobicContact CD2-CD2 3.41Å; F211-Y218 VanDerWaalsContact CD2-CD2 3.41Å; F211-Y218 AromaticContact CD2-CE2 3.69Å; F211-Y218 HydrophobicContact CD2-CE2 3.69Å; F211-Y218 HydrophobicContact CD2-CG 4.06Å; F211-Y218 AromaticContact CE2-CD2 3.81Å; F211-Y218 HydrophobicContact CE2-CD2 3.81Å; F211-Y218 HydrophobicContact CE2-CE2 4.31Å; F211-Y218 AromaticContact CE2-CG 3.96Å; F211-Y218 HydrophobicContact CE2-CG 3.96Å; D214-Y218 PolarHBondContact OD2-OH 3.2Å; H216-Y218 HydrophobicContact CB-CD2 4.39Å; H216-Y218 HydrophobicContact CB-CE2 3.91Å; Y218-Y220 HydrophobicContact CD1-CE2 4.26Å; Y218-Y220 HydrophobicContact CG-CE2 4.17Å
219V95.7Very high77.2Confident7 Ų776.6 Ų76.64%0.04240%0.403CS..EExtended strand (participates in β ladder)trans-118.4122.2-179.5-1720000108.7L123 T136 P141 L143 V206 Y207 F208L123-V219 HydrophobicContact CD1-CB 4.48Å; L123-V219 HydrophobicContact CD1-CG1 3.95Å; L123-V219 HydrophobicContact CD1-CG2 3.88Å; L123-V219 HydrophobicContact CD2-CG1 4.07Å; T136-V219 HydrophobicContact CG2-CB 3.87Å; T136-V219 HydrophobicContact CG2-CG1 3.75Å; T136-V219 HydrophobicContact CG2-CG2 4.42Å; P141-V219 WeakPolarHBondContact CB-O 3.49Å; P141-V219 PolarHBondContact O-N 2.86Å; L143-V219 HydrophobicContact CB-CG2 4.03Å; L143-V219 HydrophobicContact CD1-CG2 3.95Å; V206-V219 HydrophobicContact CG1-CG1 3.37Å; Y207-V219 WeakPolarHBondContact O-CA 3.39Å; F208-V219 HydrophobicContact CD1-CG1 4.33Å; F208-V219 HydrophobicContact CD1-CG2 3.92Å; F208-V219 HydrophobicContact CE1-CG1 4.38Å; F208-V219 HydrophobicContact CE1-CG2 4.04Å
220Y92.2Very high74.2Confident59 Ų5984.8 Ų84.823%0.23144%0.442CS..EExtended strand (participates in β ladder)trans-135.8143.3-180-72.5-83000111.3P141 V206 Y207 I209 F211 Y218 M222P141-Y220 HydrophobicContact CB-CE1 4.41Å; P141-Y220 HydrophobicContact CG-CE1 4.34Å; V206-Y220 WeakPolarHBondContact CA-O 3.43Å; Y207-Y220 PolarHBondContact N-O 3.26Å; Y207-Y220 PolarHBondContact O-N 3.47Å; I209-Y220 HydrophobicContact CD1-CD2 3.53Å; I209-Y220 HydrophobicContact CD1-CE2 4.37Å; I209-Y220 HydrophobicContact CD1-CG 4.13Å; I209-Y220 HydrophobicContact CG1-CD2 4.32Å; F211-Y220 HydrophobicContact CE2-CE2 4.11Å; F211-Y220 HydrophobicContact CZ-CE2 4.44Å; Y218-Y220 HydrophobicContact CD1-CE2 4.26Å; Y218-Y220 HydrophobicContact CG-CE2 4.17Å; Y220-M222 HydrophobicContact CG-CE 4.49Å
221T88.5Confident71.3Confident90 Ų9092.6 Ų92.655%0.55248%0.476SS*.EExtended strand (participates in β ladder)trans-79.2123.7163.5-50.90000108.9S205S205-T221 CarbonylContact O-C 3.47Å; S205-T221 VanDerWaalsContact O-CA 3.28Å; S205-T221 WeakPolarHBondContact O-CA 3.22Å
222M81.4Confident68.9Low54 Ų54101.2 Ų101.227%0.26654%0.537SS..  trans-98.6125172-66.7-66.5155.800108.9L177 S205 Y207 I209 Y220L177-M222 HydrophobicContact CD1-CB 3.96Å; L177-M222 HydrophobicContact CD1-CG 4.22Å; S205-M222 PolarHBondContact O-N 2.84Å; Y207-M222 HydrophobicContact CD2-CB 3.75Å; Y207-M222 HydrophobicContact CD2-CG 3.61Å; Y207-M222 HydrophobicContact CE2-CB 3.8Å; Y207-M222 HydrophobicContact CE2-CG 4.13Å; Y207-M222 HydrophobicContact CG-CG 4.34Å; I209-M222 HydrophobicContact CD1-CE 3.28Å; I209-M222 HydrophobicContact CG1-CE 4.48Å; Y220-M222 HydrophobicContact CG-CE 4.49Å
223V71.4Confident67.7Low116 Ų11698.5 Ų98.570%0.70353%0.528SS*.  trans-110.8123.9171.4-1600000105.9K225V223-K225 PolarHBondContact O-N 2.71Å
224P59.8Low66.6Low64 Ų64100.6 Ų100.642%0.41652%0.523SS..  trans-56.7132.2172.2-17.627.8000108.5R169 I226R169-P224 VanDerWaalsContact NH2-CD 3.26Å; P224-I226 PolarHBondContact O-N 2.83Å
225K53.8Low65.1Low191 Ų191104.6 Ų104.683%0.8354%0.544SS*.  trans-62111.4158-81.3-177.2172.5-175.60105.5V223 L227V223-K225 PolarHBondContact O-N 2.71Å; K225-L227 VanDerWaalsContact C-N 3.3Å; K225-L227 PolarHBondContact O-N 3.27Å
226I41.8Very low63.4Low151 Ų151108.5 Ų108.577%0.77457%0.565SS**  trans-55.5108.9159.1-61173.4000103.3P224 E228P224-I226 PolarHBondContact O-N 2.83Å; I226-E228 PolarHBondContact O-N 2.93Å
227L32.2Very low61.3Low150 Ų150111.6 Ų111.679%0.78558%0.583SS**  trans-62.1100.9169.8-75.4164.6000104.2K225 V229K225-L227 VanDerWaalsContact C-N 3.3Å; K225-L227 PolarHBondContact O-N 3.27Å; L227-V229 PolarHBondContact O-N 3.12Å
228E29.1Very low58.9Low181 Ų181119.1 Ų119.185%0.84662%0.622SS**  trans-60.489.9160.7-76.4-176.9165.200105.5I226 E230I226-E228 PolarHBondContact O-N 2.93Å; E228-E230 PolarHBondContact O-N 2.66Å
229V32.6Very low56.2Low118 Ų118124.5 Ų124.572%0.71565%0.654SS**  trans-68.997.2160.7-179.80000103.6L227 K231L227-V229 PolarHBondContact O-N 3.12Å; V229-K231 VanDerWaalsContact C-N 3.28Å; V229-K231 PolarHBondContact O-N 3.07Å
230E31.4Very low53.1Low175 Ų175133.5 Ų133.582%0.81870%0.701SS**  trans-49.3103.2158.3-86.2-176.5146.700106.3E228 S232E228-E230 PolarHBondContact O-N 2.66Å; E230-S232 PolarHBondContact O-N 2.93Å; E230-S232 VanDerWaalsContact O-N 3.1Å
231K32.9Very low49.9Very low199 Ų199139.8 Ų139.887%0.86574%0.74SS**  trans-67.1109.2163.6-83.8-174.2175.2-179.80105.7V229V229-K231 VanDerWaalsContact C-N 3.28Å; V229-K231 PolarHBondContact O-N 3.07Å
232S43.7Very low46.4Very low188 Ų188144.3 Ų144.3100%1.31576%0.758SS**  trans-54.40168.9-420000111.7E230E230-S232 PolarHBondContact O-N 2.93Å; E230-S232 VanDerWaalsContact O-N 3.1Å

Retrieved 232 of 232 residues in 334.7 ms (Link to these results)