A0A068LL62_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LL62, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 118 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
1Q77.2Confident89.1Confident198 Ų19874.4 Ų74.493%0.92540%0.4SS*.  0134.60-175174.25.500107.6
2V86.8Confident89.8Confident16 Ų1669.4 Ų69.410%0.09737%0.373CS..  trans-75.8137.8179.3-179.70000109.4L4 V24 Y25 Y107V2-L4 HydrophobicContact CG1-CD2 4.26Å; V2-V24 HydrophobicContact CG1-CG1 4.07Å; V2-Y25 WeakPolarHBondContact CA-O 3.42Å; V2-Y107 HydrophobicContact CB-CD1 3.92Å; V2-Y107 HydrophobicContact CB-CD2 3.94Å; V2-Y107 HydrophobicContact CB-CE1 3.81Å; V2-Y107 HydrophobicContact CB-CE2 3.82Å; V2-Y107 HydrophobicContact CB-CG 3.99Å; V2-Y107 HydrophobicContact CG1-CD1 4.48Å; V2-Y107 HydrophobicContact CG1-CD2 4.17Å; V2-Y107 HydrophobicContact CG1-CE2 4.49Å; V2-Y107 HydrophobicContact CG1-CG 4.16Å; V2-Y107 HydrophobicContact CG2-CD2 4.35Å; V2-Y107 HydrophobicContact CG2-CE1 4.48Å; V2-Y107 HydrophobicContact CG2-CE2 3.87Å
3Q91.8Very high90.3Very high122 Ų12273.3 Ų73.357%0.5739%0.385SS*.EExtended strand (participates in β ladder)trans-130.7141.4175-69.2-174.9-13.100110.8Y25Q3-Y25 PolarHBondContact N-O 3.29Å; Q3-Y25 PolarHBondContact O-N 3.3Å
4L93.9Very high90.8Very high16 Ų1672.6 Ų72.68%0.08439%0.387CS..EExtended strand (participates in β ladder)trans-115.8120.2179.7-54.6-175000110.1V2 A23 V24 W34 C95 Y107V2-L4 HydrophobicContact CG1-CD2 4.26Å; L4-A23 WeakPolarHBondContact CA-O 3.48Å; L4-V24 HydrophobicContact CD2-CB 4.29Å; L4-V24 HydrophobicContact CD2-CG1 4.22Å; L4-V24 HydrophobicContact CD2-CG2 3.81Å; L4-W34 HydrophobicContact CD1-CZ3 4.22Å; L4-W34 HydrophobicContact CD2-CE3 4.41Å; L4-W34 HydrophobicContact CD2-CH2 4.13Å; L4-W34 HydrophobicContact CD2-CZ3 3.48Å; L4-W34 VanDerWaalsContact CD2-CZ3 3.48Å; L4-C95 WeakPolarHBondContact CD1-O 3.33Å; L4-Y107 WeakPolarHBondContact CD1-O 3.41Å
5Q94.4Very high91.2Very high106 Ų10674.1 Ų74.150%0.49541%0.405SS..EExtended strand (participates in β ladder)trans-113.2123.3178.3-170.8175.11.800109.7W7 C22 A23 Y25Q5-W7 HydrophobicContact CG-CE3 4.38Å; Q5-W7 VanDerWaalsContact O-CZ3 3.24Å; Q5-W7 WeakPolarHBondContact O-CZ3 3.33Å; Q5-C22 CarbonylContact O-C 3.46Å; Q5-C22 VanDerWaalsContact O-CA 3.3Å; Q5-C22 WeakPolarHBondContact O-CA 3.31Å; Q5-A23 PolarHBondContact N-O 3.06Å; Q5-A23 PolarHBondContact O-N 3.3Å; Q5-Y25 HydrophobicContact CB-CD2 4.37Å; Q5-Y25 HydrophobicContact CB-CE2 3.84Å
6Q94.1Very high91.6Very high25 Ų2574.8 Ų74.812%0.11741%0.405CS..EExtended strand (participates in β ladder)trans-109.8145-177.4-65.3176.5-105.400111.5S21 C22 W36 Y93 C95 G109 G111Q6-S21 WeakPolarHBondContact CA-O 3.46Å; Q6-C22 HydrophobicContact CG-CB 4.13Å; Q6-W36 VanDerWaalsContact NE2-CZ3 3.34Å; Q6-Y93 PolarHBondContact NE2-O 2.85Å; Q6-C95 HydrophobicContact CG-CB 3.97Å; Q6-C95 WeakPolarHBondContact CG-SG 3.5Å; Q6-G109 VanDerWaalsContact OE1-C 3.28Å; Q6-G111 VanDerWaalsContact OE1-N 3.12Å
7W94.5Very high91.9Very high99 Ų9974.6 Ų74.638%0.37541%0.407SS..EExtended strand (participates in β ladder)trans-154.7163.4170.264.693.5000111.2Q5 S21 A23 Q77Q5-W7 HydrophobicContact CG-CE3 4.38Å; Q5-W7 VanDerWaalsContact O-CZ3 3.24Å; Q5-W7 WeakPolarHBondContact O-CZ3 3.33Å; W7-S21 PolarHBondContact N-O 2.77Å; W7-S21 PolarHBondContact O-N 2.81Å; W7-A23 HydrophobicContact CH2-CB 3.66Å; W7-A23 HydrophobicContact CZ3-CB 3.61Å; W7-Q77 HydrophobicContact CH2-CG 4.21Å
8G90.9Very high92.2Very high41 Ų4170.5 Ų70.542%0.42338%0.384SS..EExtended strand (participates in β ladder)trans153.7-164.8178.500000112.5S19G8-S19 WeakPolarHBondContact CA-O 3.38Å
9A79.3Confident92.5Very high34 Ų3469.6 Ų69.628%0.28138%0.384SS..  trans-67.2130.9-174.900000112.4L12 L18 S19A9-L12 HydrophobicContact CB-CD1 4.31Å; A9-L12 HydrophobicContact CB-CD2 3.87Å; A9-L12 HydrophobicContact CB-CG 4.17Å; A9-L18 HydrophobicContact CB-CD1 4.21Å; A9-S19 PolarHBondContact N-O 3.04Å
10G82.7Confident92.8Very high38 Ų3866.3 Ų66.339%0.39237%0.365SS..SBendtrans-100.2-30.6-179.200000115.3V114 S115G10-V114 WeakPolarHBondContact O-CA 3.33Å; G10-S115 PolarHBondContact O-N 2.72Å
11L94.9Very high93Very high123 Ų12364 Ų6464%0.64436%0.355SS*.EExtended strand (participates in β ladder)trans-132.2129.3176.6-178.865.2000109.2S115L11-S115 CarbonylContact C-O 3.59Å; L11-S115 WeakPolarHBondContact CA-O 3.39Å
12L96.5Very high93.9Very high15 Ų1554.6 Ų54.68%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-134.6154-178.2-66.1169.6000110.5A9 E16 L18 V85 V114 S115 V116 S117A9-L12 HydrophobicContact CB-CD1 4.31Å; A9-L12 HydrophobicContact CB-CD2 3.87Å; A9-L12 HydrophobicContact CB-CG 4.17Å; L12-E16 VanDerWaalsContact CA-OE2 3.3Å; L12-E16 WeakPolarHBondContact CA-OE2 3.32Å; L12-E16 HydrophobicContact CD2-CB 4.26Å; L12-E16 WeakPolarHBondContact CD2-OE2 3.45Å; L12-L18 HydrophobicContact CD1-CB 3.62Å; L12-L18 HydrophobicContact CD1-CD1 3.85Å; L12-L18 HydrophobicContact CD1-CG 4.33Å; L12-V85 HydrophobicContact CB-CG2 4.16Å; L12-V85 HydrophobicContact CD1-CG2 4.26Å; L12-V114 HydrophobicContact CD1-CG1 4.2Å; L12-S115 PolarHBondContact N-O 3.09Å; L12-V116 HydrophobicContact CB-CG2 4.41Å; L12-V116 VanDerWaalsContact O-CA 3.27Å; L12-V116 WeakPolarHBondContact O-CA 3.38Å; L12-S117 PolarHBondContact O-N 2.57Å
13K97.1Very high94.4Very high120 Ų12054 Ų5452%0.52231%0.307SS..  trans-90.3155.9167.7-67.8-179.5178.8-179.30110.6E16 V85K13-E16 HydrophobicContact CB-CG 4.15Å; K13-E16 PolarHBondContact N-OE2 3.05Å; K13-E16 WeakPolarHBondContact O-CB 3.27Å; K13-E16 WeakPolarHBondContact O-CG 3.35Å; K13-E16 PolarHBondContact O-N 2.95Å; K13-V85 WeakPolarHBondContact O-CG2 3.4Å
14P97.6Very high94.5Very high63 Ų6348.4 Ų48.441%0.40928%0.281SS..THydrogen-bonded Turntrans-53.3144.1172.3-26.235.1000112E16 V85 V116P14-E16 PolarHBondContact O-N 2.84Å; P14-V85 CarbonylContact C-O 3.55Å; P14-V85 WeakPolarHBondContact CA-O 3.4Å; P14-V116 HydrophobicContact CG-CG1 4.4Å
15S96.8Very high94.4Very high95 Ų9553 Ų5366%0.66430%0.298SS*.THydrogen-bonded Turntrans75-7.3-176.5-430000116.3V85S15-V85 PolarHBondContact N-O 2.05Å
16E97.1Very high94.2Very high86 Ų8651.2 Ų51.240%0.40231%0.308SS..  trans-70.2174.5171.9-65.9-172.7146.500111.8L12 K13 P14 S84 V85L12-E16 VanDerWaalsContact CA-OE2 3.3Å; L12-E16 WeakPolarHBondContact CA-OE2 3.32Å; L12-E16 HydrophobicContact CD2-CB 4.26Å; L12-E16 WeakPolarHBondContact CD2-OE2 3.45Å; K13-E16 HydrophobicContact CB-CG 4.15Å; K13-E16 PolarHBondContact N-OE2 3.05Å; K13-E16 WeakPolarHBondContact O-CB 3.27Å; K13-E16 WeakPolarHBondContact O-CG 3.35Å; K13-E16 PolarHBondContact O-N 2.95Å; P14-E16 PolarHBondContact O-N 2.84Å; E16-S84 PolarHBondContact O-N 3.2Å; E16-V85 HydrophobicContact CB-CG2 4.37Å; E16-V85 WeakPolarHBondContact O-CG2 3.4Å; E16-V85 PolarHBondContact O-N 3.41Å
17T97.3Very high93.7Very high72 Ų7251.6 Ų51.644%0.44232%0.318SS..  trans-110.4119.5176.4-62.40000109.8K81 L82T17-K81 HydrophobicContact CG2-CB 4.47Å; T17-L82 WeakPolarHBondContact CA-O 3.06Å
18L97.3Very high93.1Very high0 Ų050.1 Ų50.10%032%0.323CS..EExtended strand (participates in β ladder)trans-71.1133168.3171.263.1000109.4A9 L12 L20 K81 L82 V85 Y93 V114A9-L18 HydrophobicContact CB-CD1 4.21Å; L12-L18 HydrophobicContact CD1-CB 3.62Å; L12-L18 HydrophobicContact CD1-CD1 3.85Å; L12-L18 HydrophobicContact CD1-CG 4.33Å; L18-L20 HydrophobicContact CD1-CD1 4.42Å; L18-L20 HydrophobicContact CD1-CD2 3.75Å; L18-L20 HydrophobicContact CD1-CG 3.8Å; L18-L20 HydrophobicContact CD2-CD1 4.18Å; L18-L20 HydrophobicContact CD2-CG 4.29Å; L18-L20 HydrophobicContact CG-CD1 4.48Å; L18-L20 HydrophobicContact CG-CG 4.04Å; L18-K81 VanDerWaalsContact O-CA 3.26Å; L18-K81 WeakPolarHBondContact O-CA 3.31Å; L18-L82 HydrophobicContact CB-CB 4.22Å; L18-L82 HydrophobicContact CD2-CB 4.48Å; L18-L82 PolarHBondContact N-O 2.75Å; L18-L82 PolarHBondContact O-N 2.8Å; L18-V85 HydrophobicContact CB-CG1 3.89Å; L18-Y93 HydrophobicContact CD2-CD1 4.32Å; L18-Y93 HydrophobicContact CD2-CE1 3.86Å; L18-Y93 HydrophobicContact CD2-CE2 4.1Å; L18-V114 HydrophobicContact CD1-CB 4.48Å; L18-V114 HydrophobicContact CD1-CG1 3.84Å; L18-V114 HydrophobicContact CD1-CG2 3.78Å; L18-V114 HydrophobicContact CD2-CG1 4.17Å; L18-V114 HydrophobicContact CD2-CG2 4.17Å
19S97.6Very high92.7Very high54 Ų5448.3 Ų48.338%0.37830%0.304SS..EExtended strand (participates in β ladder)trans-127.8119.1170.4-63.90000109.6G8 A9 L80G8-S19 WeakPolarHBondContact CA-O 3.38Å; A9-S19 PolarHBondContact N-O 3.04Å; S19-L80 WeakPolarHBondContact CA-O 3.27Å
20L97.9Very high93Very high2 Ų250 Ų501%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-120.4149.1174.7-59.4178.9000110.3L18 W36 F79 L80 Y93 T112 V114L18-L20 HydrophobicContact CD1-CD1 4.42Å; L18-L20 HydrophobicContact CD1-CD2 3.75Å; L18-L20 HydrophobicContact CD1-CG 3.8Å; L18-L20 HydrophobicContact CD2-CD1 4.18Å; L18-L20 HydrophobicContact CD2-CG 4.29Å; L18-L20 HydrophobicContact CG-CD1 4.48Å; L18-L20 HydrophobicContact CG-CG 4.04Å; L20-W36 HydrophobicContact CB-CH2 3.52Å; L20-W36 HydrophobicContact CB-CZ2 4.16Å; L20-W36 HydrophobicContact CB-CZ3 3.84Å; L20-W36 HydrophobicContact CD1-CE3 4.3Å; L20-W36 HydrophobicContact CD1-CH2 4.3Å; L20-W36 HydrophobicContact CD1-CZ3 3.73Å; L20-W36 HydrophobicContact CG-CZ3 4.45Å; L20-F79 CarbonylContact O-C 3.39Å; L20-F79 VanDerWaalsContact O-CA 3.28Å; L20-F79 WeakPolarHBondContact O-CA 3.34Å; L20-L80 HydrophobicContact CB-CB 4.33Å; L20-L80 HydrophobicContact CD1-CD2 4.25Å; L20-L80 PolarHBondContact N-O 2.95Å; L20-L80 PolarHBondContact O-N 2.91Å; L20-Y93 HydrophobicContact CD1-CD1 3.9Å; L20-Y93 HydrophobicContact CD1-CD2 4.4Å; L20-Y93 HydrophobicContact CD1-CG 3.66Å; L20-T112 HydrophobicContact CD2-CG2 4.19Å; L20-V114 HydrophobicContact CD1-CG2 4.43Å; L20-V114 HydrophobicContact CD2-CG2 4.26Å
21S97.8Very high93Very high20 Ų2050.8 Ų50.814%0.1432%0.322CS..EExtended strand (participates in β ladder)trans-125.7147.5176.1-52.90000109.4Q6 W7 F79Q6-S21 WeakPolarHBondContact CA-O 3.46Å; W7-S21 PolarHBondContact N-O 2.77Å; W7-S21 PolarHBondContact O-N 2.81Å; S21-F79 WeakPolarHBondContact OG-CD1 3.42Å
22C96.7Very high92.6Very high0 Ų048.2 Ų48.20%030%0.304CS..EExtended strand (participates in β ladder)trans-135.5120.7171.71770000109.6Q5 Q6 W36 Q77 F78 C95Q5-C22 CarbonylContact O-C 3.46Å; Q5-C22 VanDerWaalsContact O-CA 3.3Å; Q5-C22 WeakPolarHBondContact O-CA 3.31Å; Q6-C22 HydrophobicContact CG-CB 4.13Å; C22-W36 HydrophobicContact CB-CH2 3.96Å; C22-W36 HydrophobicContact CB-CZ2 3.84Å; C22-Q77 VanDerWaalsContact O-CA 3.28Å; C22-Q77 WeakPolarHBondContact O-CA 3.3Å; C22-F78 HydrophobicContact CB-CD1 3.93Å; C22-F78 HydrophobicContact CB-CE1 3.59Å; C22-F78 HydrophobicContact CB-CE2 4.47Å; C22-F78 HydrophobicContact CB-CZ 3.91Å; C22-F78 PolarHBondContact N-O 2.94Å; C22-F78 PolarHBondContact O-N 2.85Å; C22-F78 WeakPolarHBondContact SG-CE1 3.41Å; C22-C95 HydrophobicContact CB-CB 3.45Å; C22-C95 VanDerWaalsContact CB-CB 3.45Å; C22-C95 WeakPolarHBondContact CB-SG 3.34Å; C22-C95 WeakPolarHBondContact SG-CB 3.44Å; C22-C95 CovalentContact SG-SG 2.05Å; C22-C95 PolarHBondContact SG-SG 3.22Å
23A95.9Very high92.3Very high2 Ų250.9 Ų50.92%0.01731%0.314CS..EExtended strand (participates in β ladder)trans-91.8143.5171.100000111.5L4 Q5 W7 Y25 N76 Q77L4-A23 WeakPolarHBondContact CA-O 3.48Å; Q5-A23 PolarHBondContact N-O 3.06Å; Q5-A23 PolarHBondContact O-N 3.3Å; W7-A23 HydrophobicContact CH2-CB 3.66Å; W7-A23 HydrophobicContact CZ3-CB 3.61Å; A23-Y25 HydrophobicContact CB-CD2 4.27Å; A23-Y25 HydrophobicContact CB-CE2 3.55Å; A23-N76 WeakPolarHBondContact CA-O 3.27Å; A23-Q77 HydrophobicContact CB-CG 4Å
24V93.9Very high92.1Very high6 Ų645.2 Ų45.24%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-107.8118.8175.4-177.40000109.2V2 L4 F29 W34 N76 F78V2-V24 HydrophobicContact CG1-CG1 4.07Å; L4-V24 HydrophobicContact CD2-CB 4.29Å; L4-V24 HydrophobicContact CD2-CG1 4.22Å; L4-V24 HydrophobicContact CD2-CG2 3.81Å; V24-F29 HydrophobicContact CB-CD2 4.45Å; V24-F29 HydrophobicContact CB-CE2 3.68Å; V24-F29 HydrophobicContact CB-CZ 4.2Å; V24-F29 HydrophobicContact CG2-CD2 4.29Å; V24-F29 HydrophobicContact CG2-CE1 4.27Å; V24-F29 HydrophobicContact CG2-CE2 3.36Å; V24-F29 HydrophobicContact CG2-CZ 3.37Å; V24-W34 HydrophobicContact CB-CH2 4.19Å; V24-W34 HydrophobicContact CG1-CH2 3.5Å; V24-W34 VanDerWaalsContact CG1-CH2 3.5Å; V24-W34 HydrophobicContact CG1-CZ2 4.03Å; V24-W34 HydrophobicContact CG1-CZ3 4.23Å; V24-W34 HydrophobicContact CG2-CD2 4.39Å; V24-W34 HydrophobicContact CG2-CE3 3.99Å; V24-W34 HydrophobicContact CG2-CH2 3.54Å; V24-W34 HydrophobicContact CG2-CZ2 4Å; V24-W34 HydrophobicContact CG2-CZ3 3.56Å; V24-N76 PolarHBondContact N-O 3.16Å; V24-F78 HydrophobicContact CG2-CE1 4.33Å
25Y92.8Very high92Very high113 Ų11342.6 Ų42.644%0.44327%0.272SS..EExtended strand (participates in β ladder)trans-110.2143.9175.9-63.2-83.6000110.9V2 Q3 Q5 A23 G27V2-Y25 WeakPolarHBondContact CA-O 3.42Å; Q3-Y25 PolarHBondContact N-O 3.29Å; Q3-Y25 PolarHBondContact O-N 3.3Å; Q5-Y25 HydrophobicContact CB-CD2 4.37Å; Q5-Y25 HydrophobicContact CB-CE2 3.84Å; A23-Y25 HydrophobicContact CB-CD2 4.27Å; A23-Y25 HydrophobicContact CB-CE2 3.55Å; Y25-G27 PolarHBondContact O-N 2.87Å
26G88.8Confident91.9Very high67 Ų6738.1 Ų38.169%0.69124%0.24SC*.SBendtrans65.822.8176.400000114.4
27G83.4Confident91.8Very high33 Ų3335 Ų3534%0.3423%0.226SC..SBendtrans-154.1178.2-179.700000112.2Y25Y25-G27 PolarHBondContact O-N 2.87Å
28S82Confident91.8Very high68 Ų6832.3 Ų32.348%0.47621%0.208SC..  trans-126.6151.8176.5173.80000110.1S30S28-S30 VanDerWaalsContact C-N 3.25Å; S28-S30 PolarHBondContact O-N 3.07Å; S28-S30 PolarHBondContact OG-N 3.45Å
29F84.2Confident91.8Very high3 Ų336.1 Ų36.11%0.01323%0.226CC..SBendtrans-71.6-20.1174-81.9-103.4000113.3V24 W34 H53 V71 T73 N76 F78V24-F29 HydrophobicContact CB-CD2 4.45Å; V24-F29 HydrophobicContact CB-CE2 3.68Å; V24-F29 HydrophobicContact CB-CZ 4.2Å; V24-F29 HydrophobicContact CG2-CD2 4.29Å; V24-F29 HydrophobicContact CG2-CE1 4.27Å; V24-F29 HydrophobicContact CG2-CE2 3.36Å; V24-F29 HydrophobicContact CG2-CZ 3.37Å; F29-W34 AromaticContact CD1-CD1 3.29Å; F29-W34 HydrophobicContact CD1-CD2 4.15Å; F29-W34 AromaticContact CD1-CE2 3.78Å; F29-W34 AromaticContact CD1-CG 3.84Å; F29-W34 HydrophobicContact CD1-CG 3.84Å; F29-W34 AromaticContact CD1-NE1 3.24Å; F29-W34 HydrophobicContact CE1-CB 4.44Å; F29-W34 AromaticContact CE1-CD1 3.71Å; F29-W34 AromaticContact CE1-CD2 3.98Å; F29-W34 HydrophobicContact CE1-CD2 3.98Å; F29-W34 AromaticContact CE1-CG 3.76Å; F29-W34 HydrophobicContact CE1-CG 3.76Å; F29-W34 AromaticContact CE1-NE1 3.86Å; F29-W34 AromaticContact CG-NE1 3.67Å; F29-H53 HydrophobicContact CB-CB 3.92Å; F29-V71 HydrophobicContact CD1-CG2 3.61Å; F29-V71 HydrophobicContact CE1-CG2 3.68Å; F29-V71 HydrophobicContact CG-CG2 4.37Å; F29-V71 HydrophobicContact CZ-CG2 4.46Å; F29-T73 HydrophobicContact CB-CG2 4.4Å; F29-N76 HydrophobicContact CD2-CB 4.4Å; F29-N76 VanDerWaalsContact CE2-CA 3.47Å; F29-N76 HydrophobicContact CE2-CB 3.97Å; F29-N76 WeakPolarHBondContact CE2-O 3.2Å; F29-F78 HydrophobicContact CE1-CB 3.9Å; F29-F78 AromaticContact CE1-CD1 3.66Å; F29-F78 HydrophobicContact CE1-CD1 3.66Å; F29-F78 HydrophobicContact CE1-CE1 4.46Å; F29-F78 HydrophobicContact CE1-CG 4.08Å; F29-F78 HydrophobicContact CZ-CB 4.32Å; F29-F78 AromaticContact CZ-CD1 3.69Å; F29-F78 HydrophobicContact CZ-CD1 3.69Å; F29-F78 HydrophobicContact CZ-CE1 4.46Å; F29-F78 HydrophobicContact CZ-CG 4.43Å
30S83.9Confident91.7Very high69 Ų6934.1 Ų34.148%0.48321%0.212SC..THydrogen-bonded Turntrans-66137.8-176-172.20000112S28 Y32S28-S30 VanDerWaalsContact C-N 3.25Å; S28-S30 PolarHBondContact O-N 3.07Å; S28-S30 PolarHBondContact OG-N 3.45Å; S30-Y32 VanDerWaalsContact C-N 3.3Å; S30-Y32 WeakPolarHBondContact O-CD2 3.47Å; S30-Y32 WeakPolarHBondContact O-CE2 3.5Å; S30-Y32 PolarHBondContact O-N 2.97Å
31G82.8Confident91.7Very high55 Ų5538.8 Ų38.857%0.56724%0.242SC*.THydrogen-bonded Turntrans76.58.1177.700000115.8
32Y87.5Confident91.6Very high70 Ų7042.2 Ų42.228%0.27528%0.281SS..  trans-134.1157.4-179.3-56.6-79.1000112.6S30 R97 L99S30-Y32 VanDerWaalsContact C-N 3.3Å; S30-Y32 WeakPolarHBondContact O-CD2 3.47Å; S30-Y32 WeakPolarHBondContact O-CE2 3.5Å; S30-Y32 PolarHBondContact O-N 2.97Å; Y32-R97 HydrophobicContact CD1-CG 4.01Å; Y32-R97 VanDerWaalsContact CE1-CZ 3.42Å; Y32-R97 HydrophobicContact CG-CG 3.95Å; Y32-R97 VanDerWaalsContact CZ-NH1 3.32Å; Y32-L99 HydrophobicContact CD1-CD2 3.64Å; Y32-L99 HydrophobicContact CD1-CG 4.36Å; Y32-L99 HydrophobicContact CE1-CD2 3.57Å; Y32-L99 HydrophobicContact CE1-CG 4.42Å
33Y90.4Very high91.5Very high71 Ų7149.2 Ų49.228%0.27831%0.311SS..EExtended strand (participates in β ladder)trans-98.6144.8162.5-75.6-88.8000110.2E50 N52 G98Y33-E50 HydrophobicContact CD1-CB 4.45Å; Y33-E50 HydrophobicContact CD1-CG 3.79Å; Y33-E50 HydrophobicContact CE1-CG 4.48Å; Y33-E50 HydrophobicContact CG-CG 4.45Å; Y33-N52 HydrophobicContact CD1-CB 3.79Å; Y33-N52 HydrophobicContact CE1-CB 3.61Å; Y33-N52 HydrophobicContact CG-CB 4.38Å; Y33-G98 PolarHBondContact N-O 2.89Å; Y33-G98 PolarHBondContact O-N 3.27Å
34W92.4Very high91.4Very high1 Ų151.7 Ų51.70%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-119.1117.1-178.8-63.588.4000108.4L4 V24 F29 E50 I51 F78 T96 R97L4-W34 HydrophobicContact CD1-CZ3 4.22Å; L4-W34 HydrophobicContact CD2-CE3 4.41Å; L4-W34 HydrophobicContact CD2-CH2 4.13Å; L4-W34 HydrophobicContact CD2-CZ3 3.48Å; L4-W34 VanDerWaalsContact CD2-CZ3 3.48Å; V24-W34 HydrophobicContact CB-CH2 4.19Å; V24-W34 HydrophobicContact CG1-CH2 3.5Å; V24-W34 VanDerWaalsContact CG1-CH2 3.5Å; V24-W34 HydrophobicContact CG1-CZ2 4.03Å; V24-W34 HydrophobicContact CG1-CZ3 4.23Å; V24-W34 HydrophobicContact CG2-CD2 4.39Å; V24-W34 HydrophobicContact CG2-CE3 3.99Å; V24-W34 HydrophobicContact CG2-CH2 3.54Å; V24-W34 HydrophobicContact CG2-CZ2 4Å; V24-W34 HydrophobicContact CG2-CZ3 3.56Å; F29-W34 AromaticContact CD1-CD1 3.29Å; F29-W34 HydrophobicContact CD1-CD2 4.15Å; F29-W34 AromaticContact CD1-CE2 3.78Å; F29-W34 AromaticContact CD1-CG 3.84Å; F29-W34 HydrophobicContact CD1-CG 3.84Å; F29-W34 AromaticContact CD1-NE1 3.24Å; F29-W34 HydrophobicContact CE1-CB 4.44Å; F29-W34 AromaticContact CE1-CD1 3.71Å; F29-W34 AromaticContact CE1-CD2 3.98Å; F29-W34 HydrophobicContact CE1-CD2 3.98Å; F29-W34 AromaticContact CE1-CG 3.76Å; F29-W34 HydrophobicContact CE1-CG 3.76Å; F29-W34 AromaticContact CE1-NE1 3.86Å; F29-W34 AromaticContact CG-NE1 3.67Å; W34-E50 CarbonylContact O-C 3.55Å; W34-E50 VanDerWaalsContact O-CA 3.23Å; W34-E50 WeakPolarHBondContact O-CA 3.38Å; W34-I51 HydrophobicContact CB-CG2 4.29Å; W34-I51 PolarHBondContact N-O 2.89Å; W34-I51 PolarHBondContact O-N 3.35Å; W34-F78 HydrophobicContact CB-CD1 4.2Å; W34-F78 HydrophobicContact CB-CD2 3.96Å; W34-F78 HydrophobicContact CB-CE1 3.98Å; W34-F78 HydrophobicContact CB-CE2 3.77Å; W34-F78 HydrophobicContact CB-CG 4.15Å; W34-F78 HydrophobicContact CB-CZ 3.73Å; W34-F78 HydrophobicContact CD2-CE1 4.16Å; W34-F78 AromaticContact CE3-CE1 3.71Å; W34-F78 HydrophobicContact CE3-CE1 3.71Å; W34-F78 HydrophobicContact CE3-CZ 4.01Å; W34-F78 HydrophobicContact CG-CE1 4.31Å; W34-F78 HydrophobicContact CG-CZ 4.46Å; W34-T96 WeakPolarHBondContact CA-O 3.46Å; W34-R97 HydrophobicContact CD2-CG 4.3Å; W34-R97 HydrophobicContact CE3-CB 3.88Å; W34-R97 HydrophobicContact CE3-CG 4.09Å; W34-R97 HydrophobicContact CH2-CB 3.9Å; W34-R97 HydrophobicContact CH2-CG 3.7Å; W34-R97 HydrophobicContact CZ2-CG 3.9Å; W34-R97 HydrophobicContact CZ3-CB 3.51Å; W34-R97 HydrophobicContact CZ3-CG 3.78Å
35S94.4Very high91.4Very high8 Ų856.2 Ų56.26%0.05636%0.36CS..EExtended strand (participates in β ladder)trans-108.4150.1-170.5-79.90000112W47 G49 E50 C95 T96S35-W47 PolarHBondContact OG-NE1 2.87Å; S35-W47 VanDerWaalsContact OG-NE1 3.15Å; S35-G49 WeakPolarHBondContact CA-O 3.27Å; S35-E50 VanDerWaalsContact OG-CB 3.29Å; S35-E50 WeakPolarHBondContact OG-CB 3.44Å; S35-C95 WeakPolarHBondContact O-CA 3.31Å; S35-T96 PolarHBondContact N-O 2.94Å; S35-T96 PolarHBondContact O-N 3.42Å
36W96.1Very high91.5Very high0 Ų053.2 Ų53.20%035%0.351CS..EExtended strand (participates in β ladder)trans-106.8132.5163.4-74.897.5000109.7Q6 L20 C22 I48 G49 F78 L80 F94 C95Q6-W36 VanDerWaalsContact NE2-CZ3 3.34Å; L20-W36 HydrophobicContact CB-CH2 3.52Å; L20-W36 HydrophobicContact CB-CZ2 4.16Å; L20-W36 HydrophobicContact CB-CZ3 3.84Å; L20-W36 HydrophobicContact CD1-CE3 4.3Å; L20-W36 HydrophobicContact CD1-CH2 4.3Å; L20-W36 HydrophobicContact CD1-CZ3 3.73Å; L20-W36 HydrophobicContact CG-CZ3 4.45Å; C22-W36 HydrophobicContact CB-CH2 3.96Å; C22-W36 HydrophobicContact CB-CZ2 3.84Å; W36-I48 HydrophobicContact CB-CB 4.19Å; W36-I48 HydrophobicContact CB-CD1 4.3Å; W36-I48 WeakPolarHBondContact O-CB 3.4Å; W36-I48 PolarHBondContact O-N 3.14Å; W36-G49 PolarHBondContact N-O 2.98Å; W36-F78 AromaticContact CD1-CD2 3.91Å; W36-F78 AromaticContact CD1-CE2 3.79Å; W36-F78 HydrophobicContact CD2-CE2 4.43Å; W36-F78 AromaticContact CE2-CD2 3.98Å; W36-F78 AromaticContact CE2-CE2 3.8Å; W36-F78 HydrophobicContact CG-CE2 4.43Å; W36-F78 HydrophobicContact CZ2-CD2 4.42Å; W36-F78 HydrophobicContact CZ2-CE2 4.31Å; W36-F78 AromaticContact NE1-CD2 3.26Å; W36-F78 VanDerWaalsContact NE1-CD2 3.26Å; W36-F78 AromaticContact NE1-CE2 3.36Å; W36-L80 HydrophobicContact CB-CD1 4.41Å; W36-L80 HydrophobicContact CB-CD2 4.21Å; W36-L80 HydrophobicContact CD2-CB 3.69Å; W36-L80 HydrophobicContact CD2-CD2 4.03Å; W36-L80 HydrophobicContact CD2-CG 4.4Å; W36-L80 HydrophobicContact CE3-CB 4.3Å; W36-L80 HydrophobicContact CE3-CD2 4.1Å; W36-L80 HydrophobicContact CG-CB 3.87Å; W36-L80 HydrophobicContact CG-CD1 4.28Å; W36-L80 HydrophobicContact CG-CD2 4.08Å; W36-L80 HydrophobicContact CG-CG 4.3Å; W36-L80 HydrophobicContact CZ2-CB 4.06Å; W36-F94 WeakPolarHBondContact CA-O 3.47Å; W36-C95 HydrophobicContact CD2-CB 4.4Å; W36-C95 HydrophobicContact CE3-CB 4.19Å; W36-C95 HydrophobicContact CH2-CB 4.05Å; W36-C95 HydrophobicContact CZ2-CB 4.25Å; W36-C95 HydrophobicContact CZ3-CB 4.03Å
37I95.6Very high91.8Very high20 Ų2053.4 Ų53.410%0.10333%0.331CS..EExtended strand (participates in β ladder)trans-129.9145.3179.4-62.2175.9000107.2L45 E46 Y93 F94 T96 W108I37-L45 HydrophobicContact CG2-CB 3.93Å; I37-L45 HydrophobicContact CG2-CD2 3.86Å; I37-L45 HydrophobicContact CG2-CG 4.41Å; I37-E46 CarbonylContact C-O 3.59Å; I37-E46 WeakPolarHBondContact CA-O 3.34Å; I37-E46 WeakPolarHBondContact CG2-O 3.5Å; I37-Y93 CarbonylContact O-C 3.58Å; I37-Y93 WeakPolarHBondContact O-CA 3.35Å; I37-F94 PolarHBondContact N-O 3.19Å; I37-F94 PolarHBondContact O-N 2.87Å; I37-T96 HydrophobicContact CD1-CG2 3.63Å; I37-T96 HydrophobicContact CG1-CG2 4.24Å; I37-W108 HydrophobicContact CB-CZ3 4.38Å; I37-W108 HydrophobicContact CD1-CH2 3.36Å; I37-W108 HydrophobicContact CD1-CZ2 3.98Å; I37-W108 HydrophobicContact CD1-CZ3 3.96Å; I37-W108 HydrophobicContact CG1-CH2 4.49Å; I37-W108 HydrophobicContact CG2-CH2 4.33Å; I37-W108 HydrophobicContact CG2-CZ3 4.36Å
38R96.1Very high92.4Very high16 Ų1652 Ų526%0.0632%0.315CS..EExtended strand (participates in β ladder)trans-124.9152.4170.664.7179.7-172.7-1773112E46 I48 D89 A91 V92 Y93R38-E46 HydrophobicContact CG-CB 4.13Å; R38-E46 IonicContact CZ-OE2 3.35Å; R38-E46 VanDerWaalsContact CZ-OE2 3.23Å; R38-E46 PolarHBondContact N-O 3.1Å; R38-E46 IonicContact NE-OE2 2.98Å; R38-E46 PolarHBondContact NE-OE2 3.41Å; R38-E46 IonicContact NH2-OE1 3.78Å; R38-E46 PolarHBondContact NH2-OE1 2.87Å; R38-E46 IonicContact NH2-OE2 2.77Å; R38-E46 PolarHBondContact NH2-OE2 3Å; R38-E46 PolarHBondContact O-N 3.29Å; R38-I48 HydrophobicContact CB-CD1 3.97Å; R38-I48 HydrophobicContact CB-CG1 4.5Å; R38-I48 HydrophobicContact CG-CD1 3.97Å; R38-I48 HydrophobicContact CG-CG1 4.06Å; R38-D89 IonicContact CZ-OD1 2.84Å; R38-D89 IonicContact NH1-OD1 3.23Å; R38-D89 PolarHBondContact NH1-OD1 3.06Å; R38-A91 HydrophobicContact CB-CB 3.86Å; R38-A91 HydrophobicContact CG-CB 4.43Å; R38-V92 CarbonylContact C-O 3.49Å; R38-V92 VanDerWaalsContact CA-O 3.27Å; R38-V92 WeakPolarHBondContact CA-O 3.28Å; R38-Y93 HydrophobicContact CB-CD1 3.9Å; R38-Y93 HydrophobicContact CB-CD2 4.47Å; R38-Y93 HydrophobicContact CB-CE1 3.87Å; R38-Y93 HydrophobicContact CB-CE2 4.43Å; R38-Y93 HydrophobicContact CB-CG 4.2Å; R38-Y93 HydrophobicContact CG-CE1 4.48Å
39Q97.3Very high93.1Very high80 Ų8048.7 Ų48.737%0.37429%0.292SS..EExtended strand (participates in β ladder)trans-123.299.5172.2-167.6177.82600109.8K43 L45 A91 V92 F94Q39-K43 WeakPolarHBondContact CG-O 3.41Å; Q39-L45 HydrophobicContact CB-CD2 4.02Å; Q39-L45 HydrophobicContact CG-CD2 4.37Å; Q39-A91 WeakPolarHBondContact O-CA 3.32Å; Q39-A91 WeakPolarHBondContact O-CB 3.24Å; Q39-V92 PolarHBondContact N-O 3.39Å; Q39-V92 PolarHBondContact O-N 2.94Å; Q39-F94 HydrophobicContact CB-CE2 3.98Å
40P96.9Very high93.6Very high12 Ų1249.2 Ų49.28%0.07829%0.294CS..  trans-65.6152.3171.3-19.131.9000111.4G42 K43 A91P40-G42 PolarHBondContact O-N 2.95Å; P40-K43 HydrophobicContact CB-CB 4.12Å; P40-K43 HydrophobicContact CB-CD 4.01Å; P40-K43 HydrophobicContact CB-CG 4.24Å; P40-K43 HydrophobicContact CG-CB 4.36Å; P40-K43 HydrophobicContact CG-CD 4.24Å; P40-K43 PolarHBondContact O-N 2.85Å; P40-A91 HydrophobicContact CG-CB 4.37Å
41P95.9Very high94.1Very high100 Ų10046.1 Ų46.165%0.64927%0.272SS*.THydrogen-bonded Turntrans-54.4129.4176.6-25.333.9000112.2K43 T90P41-K43 PolarHBondContact O-N 2.93Å; P41-T90 VanDerWaalsContact CD-O 3.32Å; P41-T90 WeakPolarHBondContact CD-O 3.3Å
42G96.2Very high94.5Very high93 Ų9344.4 Ų44.496%0.95925%0.251SS*.THydrogen-bonded Turntrans70.410.7179.800000115.2P40P40-G42 PolarHBondContact O-N 2.95Å
43K95Very high94.7Very high146 Ų14645.2 Ų45.264%0.63526%0.257SS*.SBendtrans-120163.8178.2-60.3-168.4-176.4178.10112.1Q39 P40 P41Q39-K43 WeakPolarHBondContact CG-O 3.41Å; P40-K43 HydrophobicContact CB-CB 4.12Å; P40-K43 HydrophobicContact CB-CD 4.01Å; P40-K43 HydrophobicContact CB-CG 4.24Å; P40-K43 HydrophobicContact CG-CB 4.36Å; P40-K43 HydrophobicContact CG-CD 4.24Å; P40-K43 PolarHBondContact O-N 2.85Å; P41-K43 PolarHBondContact O-N 2.93Å
44G93.9Very high94.8Very high54 Ų5446 Ų4656%0.55727%0.273SS*.  trans-71.5178170.700000112.8
45L94.3Very high94.8Very high101 Ų10147.8 Ų47.853%0.52929%0.291SS..  trans-67.3132.7174.1-65.3169.3000110.5I37 Q39 F94 W108I37-L45 HydrophobicContact CG2-CB 3.93Å; I37-L45 HydrophobicContact CG2-CD2 3.86Å; I37-L45 HydrophobicContact CG2-CG 4.41Å; Q39-L45 HydrophobicContact CB-CD2 4.02Å; Q39-L45 HydrophobicContact CG-CD2 4.37Å; L45-F94 HydrophobicContact CD2-CD2 4.4Å; L45-F94 HydrophobicContact CD2-CE2 4.32Å; L45-W108 HydrophobicContact CD1-CH2 3.92Å; L45-W108 HydrophobicContact CD2-CZ3 4.47Å
46E95.1Very high94.8Very high51 Ų5150.2 Ų50.224%0.23831%0.308CS..EExtended strand (participates in β ladder)trans-117.7118175.7-176.1-175.5-172.600109I37 R38I37-E46 CarbonylContact C-O 3.59Å; I37-E46 WeakPolarHBondContact CA-O 3.34Å; I37-E46 WeakPolarHBondContact CG2-O 3.5Å; R38-E46 HydrophobicContact CG-CB 4.13Å; R38-E46 IonicContact CZ-OE2 3.35Å; R38-E46 VanDerWaalsContact CZ-OE2 3.23Å; R38-E46 PolarHBondContact N-O 3.1Å; R38-E46 IonicContact NE-OE2 2.98Å; R38-E46 PolarHBondContact NE-OE2 3.41Å; R38-E46 IonicContact NH2-OE1 3.78Å; R38-E46 PolarHBondContact NH2-OE1 2.87Å; R38-E46 IonicContact NH2-OE2 2.77Å; R38-E46 PolarHBondContact NH2-OE2 3Å; R38-E46 PolarHBondContact O-N 3.29Å
47W94.9Very high94.7Very high71 Ų7152.8 Ų52.827%0.26932%0.324SS..EExtended strand (participates in β ladder)trans-71134.8173.317982.2000110.6S35 G49 E50 N58 N60S35-W47 PolarHBondContact OG-NE1 2.87Å; S35-W47 VanDerWaalsContact OG-NE1 3.15Å; W47-G49 VanDerWaalsContact CZ2-C 3.49Å; W47-E50 HydrophobicContact CZ2-CB 3.98Å; W47-E50 HydrophobicContact CZ2-CG 3.89Å; W47-N58 HydrophobicContact CH2-CB 4.1Å; W47-N58 HydrophobicContact CZ2-CB 4.49Å; W47-N60 HydrophobicContact CE3-CB 3.94Å; W47-N60 HydrophobicContact CZ3-CB 4.14Å; W47-N60 VanDerWaalsContact O-CB 3.31Å; W47-N60 WeakPolarHBondContact O-CB 3.38Å; W47-N60 PolarHBondContact O-ND2 2.87Å
48I96.3Very high94.6Very high2 Ų255.6 Ų55.61%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-98.9-46.1-178.7-61.6176000110.7W36 R38 N60 L63 V67 L80 Y93W36-I48 HydrophobicContact CB-CB 4.19Å; W36-I48 HydrophobicContact CB-CD1 4.3Å; W36-I48 WeakPolarHBondContact O-CB 3.4Å; W36-I48 PolarHBondContact O-N 3.14Å; R38-I48 HydrophobicContact CB-CD1 3.97Å; R38-I48 HydrophobicContact CB-CG1 4.5Å; R38-I48 HydrophobicContact CG-CD1 3.97Å; R38-I48 HydrophobicContact CG-CG1 4.06Å; I48-N60 WeakPolarHBondContact O-CB 3.44Å; I48-N60 PolarHBondContact O-N 3.09Å; I48-L63 HydrophobicContact CB-CD1 4.32Å; I48-L63 HydrophobicContact CG1-CD1 4.04Å; I48-L63 HydrophobicContact CG2-CD1 4.13Å; I48-V67 HydrophobicContact CG2-CB 4.47Å; I48-V67 HydrophobicContact CG2-CG1 3.89Å; I48-V67 HydrophobicContact CG2-CG2 3.77Å; I48-L80 HydrophobicContact CD1-CD2 3.99Å; I48-L80 HydrophobicContact CG2-CD1 4.01Å; I48-Y93 HydrophobicContact CD1-CD1 3.69Å; I48-Y93 HydrophobicContact CD1-CE1 3.56Å
49G95.3Very high94.6Very high0 Ų056.7 Ų56.70%034%0.343CS..EExtended strand (participates in β ladder)trans168.1171.4-173.200000111.6S35 W36 W47 N58S35-G49 WeakPolarHBondContact CA-O 3.27Å; W36-G49 PolarHBondContact N-O 2.98Å; W47-G49 VanDerWaalsContact CZ2-C 3.49Å; G49-N58 CarbonylContact C-O 3.52Å; G49-N58 WeakPolarHBondContact CA-O 3.37Å
50E94.8Very high94.5Very high13 Ų1354.5 Ų54.56%0.06133%0.334CS..EExtended strand (participates in β ladder)trans-140.9159.8-179.674.2-167.2169.900112.2Y33 W34 S35 W47 T57 N58 T101Y33-E50 HydrophobicContact CD1-CB 4.45Å; Y33-E50 HydrophobicContact CD1-CG 3.79Å; Y33-E50 HydrophobicContact CE1-CG 4.48Å; Y33-E50 HydrophobicContact CG-CG 4.45Å; W34-E50 CarbonylContact O-C 3.55Å; W34-E50 VanDerWaalsContact O-CA 3.23Å; W34-E50 WeakPolarHBondContact O-CA 3.38Å; S35-E50 VanDerWaalsContact OG-CB 3.29Å; S35-E50 WeakPolarHBondContact OG-CB 3.44Å; W47-E50 HydrophobicContact CZ2-CB 3.98Å; W47-E50 HydrophobicContact CZ2-CG 3.89Å; E50-T57 VanDerWaalsContact O-CA 3.27Å; E50-T57 WeakPolarHBondContact O-CA 3.44Å; E50-N58 HydrophobicContact CG-CB 4Å; E50-N58 PolarHBondContact N-O 2.85Å; E50-N58 PolarHBondContact O-N 2.92Å; E50-T101 WeakPolarHBondContact OE1-CG2 3.32Å
51I94.7Very high94.4Very high4 Ų459.4 Ų59.42%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-141143.2175.1-167.8162.7000111W34 S56 T57 I69 V71 F78W34-I51 HydrophobicContact CB-CG2 4.29Å; W34-I51 PolarHBondContact N-O 2.89Å; W34-I51 PolarHBondContact O-N 3.35Å; I51-S56 VanDerWaalsContact CA-O 3.31Å; I51-S56 WeakPolarHBondContact CA-O 3.34Å; I51-T57 HydrophobicContact CB-CG2 3.95Å; I51-T57 HydrophobicContact CD1-CG2 3.63Å; I51-T57 HydrophobicContact CG1-CG2 3.67Å; I51-I69 HydrophobicContact CB-CG2 3.61Å; I51-I69 HydrophobicContact CD1-CG2 4.17Å; I51-I69 HydrophobicContact CG2-CG2 3.46Å; I51-I69 VanDerWaalsContact CG2-CG2 3.46Å; I51-V71 HydrophobicContact CD1-CB 3.91Å; I51-V71 HydrophobicContact CD1-CG1 3.78Å; I51-V71 HydrophobicContact CG1-CB 4.36Å; I51-V71 HydrophobicContact CG1-CG1 4.19Å; I51-V71 HydrophobicContact CG2-CB 4.43Å; I51-F78 HydrophobicContact CG2-CB 4.29Å; I51-F78 HydrophobicContact CG2-CD2 4.36Å
52N92.2Very high94.2Very high20 Ų2058.2 Ų58.211%0.10736%0.36CS..EExtended strand (participates in β ladder)trans-101.3172.5168.173.86.3000111.9Y33 S54 G55 S56Y33-N52 HydrophobicContact CD1-CB 3.79Å; Y33-N52 HydrophobicContact CE1-CB 3.61Å; Y33-N52 HydrophobicContact CG-CB 4.38Å; N52-S54 PolarHBondContact ND2-OG 3.21Å; N52-S54 PolarHBondContact O-N 2.66Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 PolarHBondContact OD1-N 2.74Å; N52-S54 PolarHBondContact OD1-OG 3.36Å; N52-G55 PolarHBondContact O-N 2.84Å; N52-G55 PolarHBondContact OD1-N 2.82Å; N52-G55 VanDerWaalsContact OD1-N 3.14Å; N52-S56 PolarHBondContact N-O 2.9Å; N52-S56 WeakPolarHBondContact ND2-CB 3.45Å; N52-S56 WeakPolarHBondContact OD1-CB 3.33Å; N52-S56 PolarHBondContact OD1-N 3.25Å
53H90.9Very high94.1Very high87 Ų8754 Ų5440%0.40332%0.316SS..THydrogen-bonded Turntrans-60.7-18.9179.267.9-82.8000115F29 G55 T73F29-H53 HydrophobicContact CB-CB 3.92Å; H53-G55 VanDerWaalsContact C-N 3.33Å; H53-T73 HydrophobicContact CB-CG2 4.28Å
54S92.1Very high94Very high88 Ų8853.6 Ų53.662%0.61531%0.314SS*.THydrogen-bonded Turntrans-891.4175.675.90000113.1N52 S56N52-S54 PolarHBondContact ND2-OG 3.21Å; N52-S54 PolarHBondContact O-N 2.66Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 PolarHBondContact OD1-N 2.74Å; N52-S54 PolarHBondContact OD1-OG 3.36Å; S54-S56 VanDerWaalsContact C-N 3.35Å
55G92.8Very high94.1Very high37 Ų3756.3 Ų56.338%0.38133%0.325SS..  trans81.98.2-178.600000114.7N52 H53 T57N52-G55 PolarHBondContact O-N 2.84Å; N52-G55 PolarHBondContact OD1-N 2.82Å; N52-G55 VanDerWaalsContact OD1-N 3.14Å; H53-G55 VanDerWaalsContact C-N 3.33Å; G55-T57 PolarHBondContact O-N 3.37Å
56S93.8Very high94.2Very high60 Ų6054 Ų5442%0.4231%0.309SS..  trans-68.4127.5172.6-171.20000109.2I51 N52 S54I51-S56 VanDerWaalsContact CA-O 3.31Å; I51-S56 WeakPolarHBondContact CA-O 3.34Å; N52-S56 PolarHBondContact N-O 2.9Å; N52-S56 WeakPolarHBondContact ND2-CB 3.45Å; N52-S56 WeakPolarHBondContact OD1-CB 3.33Å; N52-S56 PolarHBondContact OD1-N 3.25Å; S54-S56 VanDerWaalsContact C-N 3.35Å
57T94.9Very high94.4Very high54 Ų5452 Ų5233%0.33130%0.3SS..EExtended strand (participates in β ladder)trans-121146.8-17650.60000112.2E50 I51 G55 Y59 I69E50-T57 VanDerWaalsContact O-CA 3.27Å; E50-T57 WeakPolarHBondContact O-CA 3.44Å; I51-T57 HydrophobicContact CB-CG2 3.95Å; I51-T57 HydrophobicContact CD1-CG2 3.63Å; I51-T57 HydrophobicContact CG1-CG2 3.67Å; G55-T57 PolarHBondContact O-N 3.37Å; T57-Y59 WeakPolarHBondContact OG1-CE2 3.38Å; T57-Y59 PolarHBondContact OG1-OH 3.01Å; T57-I69 HydrophobicContact CG2-CB 4.5Å
58N94.4Very high94.5Very high79 Ų7952.4 Ų52.442%0.42231%0.31SS..EExtended strand (participates in β ladder)trans-131149166.9-168.213.1000109W47 G49 E50W47-N58 HydrophobicContact CH2-CB 4.1Å; W47-N58 HydrophobicContact CZ2-CB 4.49Å; G49-N58 CarbonylContact C-O 3.52Å; G49-N58 WeakPolarHBondContact CA-O 3.37Å; E50-N58 HydrophobicContact CG-CB 4Å; E50-N58 PolarHBondContact N-O 2.85Å; E50-N58 PolarHBondContact O-N 2.92Å
59Y95.4Very high94.6Very high38 Ų3852.7 Ų52.715%0.14931%0.312CS..EExtended strand (participates in β ladder)trans-135.2150.5-172.8-60.3-72.4000110.9T57 P61 K64 V67 I69T57-Y59 WeakPolarHBondContact OG1-CE2 3.38Å; T57-Y59 PolarHBondContact OG1-OH 3.01Å; Y59-P61 WeakPolarHBondContact O-CD 3.48Å; Y59-K64 HydrophobicContact CD2-CG 4.1Å; Y59-K64 HydrophobicContact CG-CG 4.31Å; Y59-V67 HydrophobicContact CD1-CB 4.2Å; Y59-V67 HydrophobicContact CD1-CG1 3.67Å; Y59-V67 HydrophobicContact CE1-CB 4.39Å; Y59-V67 HydrophobicContact CE1-CG1 3.65Å; Y59-I69 HydrophobicContact CD1-CD1 4.19Å; Y59-I69 HydrophobicContact CE1-CB 4.14Å; Y59-I69 HydrophobicContact CE1-CD1 3.88Å; Y59-I69 HydrophobicContact CE1-CG1 3.89Å; Y59-I69 PolarHBondContact OH-N 3.12Å
60N94.5Very high94.7Very high34 Ų3455 Ų5518%0.18233%0.328CS..  trans-62.5123.7164.7-172.8-25.9000108.8W47 I48 S62 L63 K64W47-N60 HydrophobicContact CE3-CB 3.94Å; W47-N60 HydrophobicContact CZ3-CB 4.14Å; W47-N60 VanDerWaalsContact O-CB 3.31Å; W47-N60 WeakPolarHBondContact O-CB 3.38Å; W47-N60 PolarHBondContact O-ND2 2.87Å; I48-N60 WeakPolarHBondContact O-CB 3.44Å; I48-N60 PolarHBondContact O-N 3.09Å; N60-S62 PolarHBondContact O-N 2.85Å; N60-S62 PolarHBondContact OD1-N 3.42Å; N60-S62 PolarHBondContact OD1-OG 3.34Å; N60-L63 PolarHBondContact O-N 3.3Å; N60-K64 PolarHBondContact O-N 3.15Å
61P94.6Very high94.7Very high115 Ų11556.1 Ų56.175%0.74734%0.336SS*.THydrogen-bonded Turntrans-52.4-32.3-178.4-29.135.8000114.2Y59 L63Y59-P61 WeakPolarHBondContact O-CD 3.48Å; P61-L63 VanDerWaalsContact C-N 3.28Å; P61-L63 PolarHBondContact O-N 2.85Å
62S92.4Very high94.7Very high75 Ų7557.7 Ų57.752%0.52434%0.344SS..THydrogen-bonded Turntrans-70.1-21.9179.465.50000113.9N60N60-S62 PolarHBondContact O-N 2.85Å; N60-S62 PolarHBondContact OD1-N 3.42Å; N60-S62 PolarHBondContact OD1-OG 3.34Å
63L93.6Very high94.7Very high6 Ų660.4 Ų60.43%0.03136%0.361CS..THydrogen-bonded Turntrans-114.2-11.4-174.7-62.2175.1000113.2I48 N60 P61 S65 R66 V67I48-L63 HydrophobicContact CB-CD1 4.32Å; I48-L63 HydrophobicContact CG1-CD1 4.04Å; I48-L63 HydrophobicContact CG2-CD1 4.13Å; N60-L63 PolarHBondContact O-N 3.3Å; P61-L63 VanDerWaalsContact C-N 3.28Å; P61-L63 PolarHBondContact O-N 2.85Å; L63-S65 PolarHBondContact O-N 3.23Å; L63-R66 PolarHBondContact O-N 3.01Å; L63-V67 HydrophobicContact CB-CG2 3.74Å; L63-V67 WeakPolarHBondContact O-CG2 3.32Å; L63-V67 PolarHBondContact O-N 3.03Å; L63-V67 VanDerWaalsContact O-N 3.12Å
64K93.8Very high94.8Very high136 Ų13661 Ų6159%0.59138%0.375SS*.THydrogen-bonded Turntrans-52.6-31.9-171.8-173.9172.3-177.6176.70114.8Y59 N60 R66Y59-K64 HydrophobicContact CD2-CG 4.1Å; Y59-K64 HydrophobicContact CG-CG 4.31Å; N60-K64 PolarHBondContact O-N 3.15Å; K64-R66 VanDerWaalsContact C-N 3.31Å; K64-R66 PolarHBondContact O-N 3.47Å
65S96.1Very high94.8Very high112 Ų11262.6 Ų62.678%0.78337%0.371SS*.THydrogen-bonded Turntrans-75-17.7-179.657.90000114.3L63L63-S65 PolarHBondContact O-N 3.23Å
66R96.6Very high94.8Very high53 Ų5364 Ų6420%0.237%0.37CS..THydrogen-bonded Turntrans-117.1-13.3-175-59.3-172.7-60.7128.6-2113.6L63 K64 L82 S83 S84 D89L63-R66 PolarHBondContact O-N 3.01Å; K64-R66 VanDerWaalsContact C-N 3.31Å; K64-R66 PolarHBondContact O-N 3.47Å; R66-L82 HydrophobicContact CB-CD1 3.72Å; R66-L82 WeakPolarHBondContact O-CA 3.23Å; R66-S83 WeakPolarHBondContact CA-OG 3.46Å; R66-S83 PolarHBondContact NH1-O 2.86Å; R66-S83 PolarHBondContact O-N 2.91Å; R66-S83 PolarHBondContact O-OG 2.96Å; R66-S84 PolarHBondContact NH1-O 3.04Å; R66-D89 IonicContact CZ-OD1 3.58Å; R66-D89 IonicContact CZ-OD2 2.85Å; R66-D89 IonicContact NH1-OD1 3.68Å; R66-D89 IonicContact NH1-OD2 3.73Å; R66-D89 PolarHBondContact NH1-OD2 2.88Å; R66-D89 IonicContact NH2-OD1 3.58Å; R66-D89 PolarHBondContact NH2-OD1 2.85Å; R66-D89 IonicContact NH2-OD2 2.75Å
67V97.6Very high94.9Very high7 Ų762.8 Ų62.84%0.04236%0.358CS..EExtended strand (participates in β ladder)trans-97.5137.5-174.1173.80000111.2I48 Y59 L63 I69 L80 K81 L82I48-V67 HydrophobicContact CG2-CB 4.47Å; I48-V67 HydrophobicContact CG2-CG1 3.89Å; I48-V67 HydrophobicContact CG2-CG2 3.77Å; Y59-V67 HydrophobicContact CD1-CB 4.2Å; Y59-V67 HydrophobicContact CD1-CG1 3.67Å; Y59-V67 HydrophobicContact CE1-CB 4.39Å; Y59-V67 HydrophobicContact CE1-CG1 3.65Å; L63-V67 HydrophobicContact CB-CG2 3.74Å; L63-V67 WeakPolarHBondContact O-CG2 3.32Å; L63-V67 PolarHBondContact O-N 3.03Å; L63-V67 VanDerWaalsContact O-N 3.12Å; V67-I69 HydrophobicContact CG1-CD1 4.31Å; V67-I69 HydrophobicContact CG1-CG1 3.96Å; V67-L80 HydrophobicContact CG1-CD1 3.67Å; V67-K81 CarbonylContact C-O 3.56Å; V67-K81 WeakPolarHBondContact CA-O 3.29Å; V67-L82 HydrophobicContact CG2-CD1 3.53Å
68T98.1Very high95Very high81 Ų8160.2 Ų60.250%0.49734%0.342SS..EExtended strand (participates in β ladder)trans-129.7126.9163.1-58.10000108.8K81T68-K81 PolarHBondContact N-O 2.86Å; T68-K81 PolarHBondContact O-N 3.07Å
69I97.8Very high95.1Very high7 Ų758.5 Ų58.54%0.03633%0.331CS..EExtended strand (participates in β ladder)trans-110.9135.9171.3-61.8168000107.9I51 T57 Y59 V67 F79 L80I51-I69 HydrophobicContact CB-CG2 3.61Å; I51-I69 HydrophobicContact CD1-CG2 4.17Å; I51-I69 HydrophobicContact CG2-CG2 3.46Å; I51-I69 VanDerWaalsContact CG2-CG2 3.46Å; T57-I69 HydrophobicContact CG2-CB 4.5Å; Y59-I69 HydrophobicContact CD1-CD1 4.19Å; Y59-I69 HydrophobicContact CE1-CB 4.14Å; Y59-I69 HydrophobicContact CE1-CD1 3.88Å; Y59-I69 HydrophobicContact CE1-CG1 3.89Å; Y59-I69 PolarHBondContact OH-N 3.12Å; V67-I69 HydrophobicContact CG1-CD1 4.31Å; V67-I69 HydrophobicContact CG1-CG1 3.96Å; I69-F79 VanDerWaalsContact CA-O 3.31Å; I69-F79 WeakPolarHBondContact CA-O 3.46Å; I69-F79 WeakPolarHBondContact CG2-O 3.26Å; I69-L80 HydrophobicContact CD1-CD1 4.49Å; I69-L80 HydrophobicContact CG1-CD1 3.86Å
70S97.3Very high95.2Very high50 Ų5056.7 Ų56.735%0.3532%0.324SS..EExtended strand (participates in β ladder)trans-136.9160.2177.363.30000111.3F78 F79S70-F78 CarbonylContact O-C 3.59Å; S70-F78 VanDerWaalsContact O-CA 3.25Å; S70-F78 WeakPolarHBondContact O-CA 3.44Å; S70-F78 WeakPolarHBondContact O-CB 3.4Å; S70-F79 PolarHBondContact N-O 3Å; S70-F79 VanDerWaalsContact N-O 3.13Å; S70-F79 PolarHBondContact O-N 2.92Å
71V95.9Very high95.4Very high36 Ų3660.6 Ų60.622%0.21834%0.339CS..EExtended strand (participates in β ladder)trans-130.8140-178.964.80000109.9F29 I51 T73 F78F29-V71 HydrophobicContact CD1-CG2 3.61Å; F29-V71 HydrophobicContact CE1-CG2 3.68Å; F29-V71 HydrophobicContact CG-CG2 4.37Å; F29-V71 HydrophobicContact CZ-CG2 4.46Å; I51-V71 HydrophobicContact CD1-CB 3.91Å; I51-V71 HydrophobicContact CD1-CG1 3.78Å; I51-V71 HydrophobicContact CG1-CB 4.36Å; I51-V71 HydrophobicContact CG1-CG1 4.19Å; I51-V71 HydrophobicContact CG2-CB 4.43Å; V71-T73 HydrophobicContact CG2-CG2 4.08Å; V71-F78 HydrophobicContact CB-CB 4.37Å; V71-F78 HydrophobicContact CG2-CB 4.33Å
72D94.9Very high95.6Very high37 Ų3755.3 Ų55.320%0.19830%0.304CS..EExtended strand (participates in β ladder)trans-12594170.2-175.8-12.3000108.2S74 K75 N76 Q77 F79D72-S74 PolarHBondContact O-N 3.14Å; D72-S74 WeakPolarHBondContact OD1-CB 3.15Å; D72-S74 PolarHBondContact OD1-N 3.08Å; D72-S74 VanDerWaalsContact OD1-N 3.09Å; D72-S74 PolarHBondContact OD1-OG 3.45Å; D72-K75 HydrophobicContact CB-CB 4.48Å; D72-K75 PolarHBondContact O-N 2.71Å; D72-K75 PolarHBondContact OD1-N 3.43Å; D72-K75 WeakPolarHBondContact OD2-CG 3.49Å; D72-K75 IonicContact OD2-NZ 3.86Å; D72-K75 PolarHBondContact OD2-NZ 2.85Å; D72-N76 PolarHBondContact O-N 2.75Å; D72-N76 VanDerWaalsContact O-N 3.12Å; D72-Q77 PolarHBondContact N-O 2.88Å; D72-Q77 PolarHBondContact O-N 2.87Å; D72-F79 HydrophobicContact CB-CE2 3.76Å; D72-F79 HydrophobicContact CB-CZ 4.31Å
73T91.8Very high95.8Very high76 Ų7653.8 Ų53.847%0.46629%0.294SS..THydrogen-bonded Turntrans-67.8-24.1-178.7540000112.4F29 H53 V71 K75 N76F29-T73 HydrophobicContact CB-CG2 4.4Å; H53-T73 HydrophobicContact CB-CG2 4.28Å; V71-T73 HydrophobicContact CG2-CG2 4.08Å; T73-K75 PolarHBondContact O-N 3.07Å; T73-N76 PolarHBondContact O-N 2.87Å
74S91.6Very high95.9Very high100 Ų10056.7 Ų56.770%0.69932%0.315SS*.THydrogen-bonded Turntrans-67-28.9175.678.40000112.2D72D72-S74 PolarHBondContact O-N 3.14Å; D72-S74 WeakPolarHBondContact OD1-CB 3.15Å; D72-S74 PolarHBondContact OD1-N 3.08Å; D72-S74 VanDerWaalsContact OD1-N 3.09Å; D72-S74 PolarHBondContact OD1-OG 3.45Å
75K92.4Very high96.1Very high122 Ų12250.3 Ų50.353%0.5329%0.287SS..THydrogen-bonded Turntrans-100.7-2.2176.8-61.6-164.2-17192.10113.8D72 T73 Q77D72-K75 HydrophobicContact CB-CB 4.48Å; D72-K75 PolarHBondContact O-N 2.71Å; D72-K75 PolarHBondContact OD1-N 3.43Å; D72-K75 WeakPolarHBondContact OD2-CG 3.49Å; D72-K75 IonicContact OD2-NZ 3.86Å; D72-K75 PolarHBondContact OD2-NZ 2.85Å; T73-K75 PolarHBondContact O-N 3.07Å; K75-Q77 VanDerWaalsContact C-N 3.27Å; K75-Q77 HydrophobicContact CB-CB 4.24Å; K75-Q77 HydrophobicContact CB-CG 4.12Å; K75-Q77 WeakPolarHBondContact O-CG 3Å; K75-Q77 PolarHBondContact O-N 2.76Å
76N92.9Very high96.1Very high65 Ų6548 Ų4835%0.34827%0.269SS..THydrogen-bonded Turntrans49.149.7-167.2-69-50.4000112.2A23 V24 F29 D72 T73A23-N76 WeakPolarHBondContact CA-O 3.27Å; V24-N76 PolarHBondContact N-O 3.16Å; F29-N76 HydrophobicContact CD2-CB 4.4Å; F29-N76 VanDerWaalsContact CE2-CA 3.47Å; F29-N76 HydrophobicContact CE2-CB 3.97Å; F29-N76 WeakPolarHBondContact CE2-O 3.2Å; D72-N76 PolarHBondContact O-N 2.75Å; D72-N76 VanDerWaalsContact O-N 3.12Å; T73-N76 PolarHBondContact O-N 2.87Å
77Q96.2Very high96.1Very high36 Ų3648.9 Ų48.917%0.16829%0.287CS..EExtended strand (participates in β ladder)trans-130.9150.7-178.3-73.71716.300112.1W7 C22 A23 D72 K75 F79W7-Q77 HydrophobicContact CH2-CG 4.21Å; C22-Q77 VanDerWaalsContact O-CA 3.28Å; C22-Q77 WeakPolarHBondContact O-CA 3.3Å; A23-Q77 HydrophobicContact CB-CG 4Å; D72-Q77 PolarHBondContact N-O 2.88Å; D72-Q77 PolarHBondContact O-N 2.87Å; K75-Q77 VanDerWaalsContact C-N 3.27Å; K75-Q77 HydrophobicContact CB-CB 4.24Å; K75-Q77 HydrophobicContact CB-CG 4.12Å; K75-Q77 WeakPolarHBondContact O-CG 3Å; K75-Q77 PolarHBondContact O-N 2.76Å; Q77-F79 HydrophobicContact CB-CE1 4.12Å; Q77-F79 HydrophobicContact CB-CE2 4.04Å; Q77-F79 HydrophobicContact CB-CZ 3.54Å
78F96.5Very high96Very high0 Ų052 Ų520%031%0.313CS..EExtended strand (participates in β ladder)trans-135.6156165.368.7-70.3000110.9C22 V24 F29 W34 W36 I51 S70 V71 C95C22-F78 HydrophobicContact CB-CD1 3.93Å; C22-F78 HydrophobicContact CB-CE1 3.59Å; C22-F78 HydrophobicContact CB-CE2 4.47Å; C22-F78 HydrophobicContact CB-CZ 3.91Å; C22-F78 PolarHBondContact N-O 2.94Å; C22-F78 PolarHBondContact O-N 2.85Å; C22-F78 WeakPolarHBondContact SG-CE1 3.41Å; V24-F78 HydrophobicContact CG2-CE1 4.33Å; F29-F78 HydrophobicContact CE1-CB 3.9Å; F29-F78 AromaticContact CE1-CD1 3.66Å; F29-F78 HydrophobicContact CE1-CD1 3.66Å; F29-F78 HydrophobicContact CE1-CE1 4.46Å; F29-F78 HydrophobicContact CE1-CG 4.08Å; F29-F78 HydrophobicContact CZ-CB 4.32Å; F29-F78 AromaticContact CZ-CD1 3.69Å; F29-F78 HydrophobicContact CZ-CD1 3.69Å; F29-F78 HydrophobicContact CZ-CE1 4.46Å; F29-F78 HydrophobicContact CZ-CG 4.43Å; W34-F78 HydrophobicContact CB-CD1 4.2Å; W34-F78 HydrophobicContact CB-CD2 3.96Å; W34-F78 HydrophobicContact CB-CE1 3.98Å; W34-F78 HydrophobicContact CB-CE2 3.77Å; W34-F78 HydrophobicContact CB-CG 4.15Å; W34-F78 HydrophobicContact CB-CZ 3.73Å; W34-F78 HydrophobicContact CD2-CE1 4.16Å; W34-F78 AromaticContact CE3-CE1 3.71Å; W34-F78 HydrophobicContact CE3-CE1 3.71Å; W34-F78 HydrophobicContact CE3-CZ 4.01Å; W34-F78 HydrophobicContact CG-CE1 4.31Å; W34-F78 HydrophobicContact CG-CZ 4.46Å; W36-F78 AromaticContact CD1-CD2 3.91Å; W36-F78 AromaticContact CD1-CE2 3.79Å; W36-F78 HydrophobicContact CD2-CE2 4.43Å; W36-F78 AromaticContact CE2-CD2 3.98Å; W36-F78 AromaticContact CE2-CE2 3.8Å; W36-F78 HydrophobicContact CG-CE2 4.43Å; W36-F78 HydrophobicContact CZ2-CD2 4.42Å; W36-F78 HydrophobicContact CZ2-CE2 4.31Å; W36-F78 AromaticContact NE1-CD2 3.26Å; W36-F78 VanDerWaalsContact NE1-CD2 3.26Å; W36-F78 AromaticContact NE1-CE2 3.36Å; I51-F78 HydrophobicContact CG2-CB 4.29Å; I51-F78 HydrophobicContact CG2-CD2 4.36Å; S70-F78 CarbonylContact O-C 3.59Å; S70-F78 VanDerWaalsContact O-CA 3.25Å; S70-F78 WeakPolarHBondContact O-CA 3.44Å; S70-F78 WeakPolarHBondContact O-CB 3.4Å; V71-F78 HydrophobicContact CB-CB 4.37Å; V71-F78 HydrophobicContact CG2-CB 4.33Å; F78-C95 HydrophobicContact CE1-CB 4.27Å; F78-C95 HydrophobicContact CE2-CB 4.05Å; F78-C95 HydrophobicContact CZ-CB 3.51Å
79F97.7Very high95.9Very high42 Ų4248.2 Ų48.218%0.18429%0.29CS..EExtended strand (participates in β ladder)trans-132.2148.4-163.1-49.1-85.2000110.6L20 S21 I69 S70 D72 Q77L20-F79 CarbonylContact O-C 3.39Å; L20-F79 VanDerWaalsContact O-CA 3.28Å; L20-F79 WeakPolarHBondContact O-CA 3.34Å; S21-F79 WeakPolarHBondContact OG-CD1 3.42Å; I69-F79 VanDerWaalsContact CA-O 3.31Å; I69-F79 WeakPolarHBondContact CA-O 3.46Å; I69-F79 WeakPolarHBondContact CG2-O 3.26Å; S70-F79 PolarHBondContact N-O 3Å; S70-F79 VanDerWaalsContact N-O 3.13Å; S70-F79 PolarHBondContact O-N 2.92Å; D72-F79 HydrophobicContact CB-CE2 3.76Å; D72-F79 HydrophobicContact CB-CZ 4.31Å; Q77-F79 HydrophobicContact CB-CE1 4.12Å; Q77-F79 HydrophobicContact CB-CE2 4.04Å; Q77-F79 HydrophobicContact CB-CZ 3.54Å
80L98.1Very high95.9Very high1 Ų149.4 Ų49.41%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-118.8129.1169.5176.569.1000108.6S19 L20 W36 I48 V67 I69 Y93S19-L80 WeakPolarHBondContact CA-O 3.27Å; L20-L80 HydrophobicContact CB-CB 4.33Å; L20-L80 HydrophobicContact CD1-CD2 4.25Å; L20-L80 PolarHBondContact N-O 2.95Å; L20-L80 PolarHBondContact O-N 2.91Å; W36-L80 HydrophobicContact CB-CD1 4.41Å; W36-L80 HydrophobicContact CB-CD2 4.21Å; W36-L80 HydrophobicContact CD2-CB 3.69Å; W36-L80 HydrophobicContact CD2-CD2 4.03Å; W36-L80 HydrophobicContact CD2-CG 4.4Å; W36-L80 HydrophobicContact CE3-CB 4.3Å; W36-L80 HydrophobicContact CE3-CD2 4.1Å; W36-L80 HydrophobicContact CG-CB 3.87Å; W36-L80 HydrophobicContact CG-CD1 4.28Å; W36-L80 HydrophobicContact CG-CD2 4.08Å; W36-L80 HydrophobicContact CG-CG 4.3Å; W36-L80 HydrophobicContact CZ2-CB 4.06Å; I48-L80 HydrophobicContact CD1-CD2 3.99Å; I48-L80 HydrophobicContact CG2-CD1 4.01Å; V67-L80 HydrophobicContact CG1-CD1 3.67Å; I69-L80 HydrophobicContact CD1-CD1 4.49Å; I69-L80 HydrophobicContact CG1-CD1 3.86Å; L80-Y93 HydrophobicContact CD2-CD1 3.85Å; L80-Y93 HydrophobicContact CD2-CE1 4.1Å
81K98Very high95.9Very high116 Ų11647 Ų4750%0.50428%0.281SS..EExtended strand (participates in β ladder)trans-115.2132.9161.7-67.4-175176.9-178.80109.5T17 L18 V67 T68T17-K81 HydrophobicContact CG2-CB 4.47Å; L18-K81 VanDerWaalsContact O-CA 3.26Å; L18-K81 WeakPolarHBondContact O-CA 3.31Å; V67-K81 CarbonylContact C-O 3.56Å; V67-K81 WeakPolarHBondContact CA-O 3.29Å; T68-K81 PolarHBondContact N-O 2.86Å; T68-K81 PolarHBondContact O-N 3.07Å
82L97.5Very high96Very high3 Ų347.4 Ų47.42%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-126.4112.4171.9177.469.5000108.2T17 L18 R66 V67 V85 D89T17-L82 WeakPolarHBondContact CA-O 3.06Å; L18-L82 HydrophobicContact CB-CB 4.22Å; L18-L82 HydrophobicContact CD2-CB 4.48Å; L18-L82 PolarHBondContact N-O 2.75Å; L18-L82 PolarHBondContact O-N 2.8Å; R66-L82 HydrophobicContact CB-CD1 3.72Å; R66-L82 WeakPolarHBondContact O-CA 3.23Å; V67-L82 HydrophobicContact CG2-CD1 3.53Å; L82-V85 HydrophobicContact CD2-CG1 4.19Å; L82-V85 HydrophobicContact CG-CG1 4.15Å; L82-V85 WeakPolarHBondContact O-CG1 3.37Å; L82-D89 HydrophobicContact CD2-CB 3.96Å
83S97.4Very high96.1Very high43 Ų4345.6 Ų45.630%0.30127%0.274SS..  trans-84.3158.1-179.160.90000112R66 V85R66-S83 WeakPolarHBondContact CA-OG 3.46Å; R66-S83 PolarHBondContact NH1-O 2.86Å; R66-S83 PolarHBondContact O-N 2.91Å; R66-S83 PolarHBondContact O-OG 2.96Å; S83-V85 VanDerWaalsContact C-N 3.35Å; S83-V85 PolarHBondContact O-N 2.91Å
84S96.2Very high96.3Very high68 Ų6843.6 Ų43.648%0.47626%0.259SS..SBendtrans50.554.3175.5-56.80000111.9E16 R66E16-S84 PolarHBondContact O-N 3.2Å; R66-S84 PolarHBondContact NH1-O 3.04Å
85V97.1Very high96.5Very high1 Ų138.8 Ų38.81%0.00623%0.225CC..  trans-64.7148.5-176.8-60.30000111.5L12 K13 P14 S15 E16 L18 L82 S83 D89 V116L12-V85 HydrophobicContact CB-CG2 4.16Å; L12-V85 HydrophobicContact CD1-CG2 4.26Å; K13-V85 WeakPolarHBondContact O-CG2 3.4Å; P14-V85 CarbonylContact C-O 3.55Å; P14-V85 WeakPolarHBondContact CA-O 3.4Å; S15-V85 PolarHBondContact N-O 2.05Å; E16-V85 HydrophobicContact CB-CG2 4.37Å; E16-V85 WeakPolarHBondContact O-CG2 3.4Å; E16-V85 PolarHBondContact O-N 3.41Å; L18-V85 HydrophobicContact CB-CG1 3.89Å; L82-V85 HydrophobicContact CD2-CG1 4.19Å; L82-V85 HydrophobicContact CG-CG1 4.15Å; L82-V85 WeakPolarHBondContact O-CG1 3.37Å; S83-V85 VanDerWaalsContact C-N 3.35Å; S83-V85 PolarHBondContact O-N 2.91Å; V85-D89 WeakPolarHBondContact CA-OD2 3.35Å; V85-D89 HydrophobicContact CB-CB 4.45Å; V85-V116 HydrophobicContact CB-CG1 4.38Å; V85-V116 HydrophobicContact CB-CG2 4.08Å; V85-V116 HydrophobicContact CG2-CG1 3.81Å; V85-V116 HydrophobicContact CG2-CG2 3.96Å
86T96.9Very high96.6Very high65 Ų6533.2 Ų33.240%0.39920%0.201SC..  trans-126.7168.9178.165.80000110.2A88 D89 V116T86-A88 PolarHBondContact O-N 2.86Å; T86-A88 VanDerWaalsContact O-N 3.07Å; T86-A88 PolarHBondContact OG1-N 2.82Å; T86-D89 PolarHBondContact N-OD2 3.04Å; T86-D89 WeakPolarHBondContact O-CB 3.47Å; T86-D89 PolarHBondContact O-N 3.31Å; T86-D89 PolarHBondContact OG1-OD2 3.04Å; T86-V116 VanDerWaalsContact O-CB 3.31Å; T86-V116 WeakPolarHBondContact O-CB 3.12Å; T86-V116 WeakPolarHBondContact O-CG1 3.15Å
87A96.6Very high96.5Very high70 Ų7031.2 Ų31.258%0.57919%0.189SC*.G310 helixtrans-53.6-30.3174.500000112.9D89 T90A87-D89 PolarHBondContact O-N 2.82Å; A87-T90 VanDerWaalsContact O-CB 3.27Å; A87-T90 WeakPolarHBondContact O-CB 3.42Å; A87-T90 PolarHBondContact O-N 2.91Å; A87-T90 VanDerWaalsContact O-N 3.16Å; A87-T90 PolarHBondContact O-OG1 3.44Å; A87-T90 VanDerWaalsContact O-OG1 3.05Å
88A95.5Very high95.6Very high73 Ų7329.9 Ų29.960%0.60318%0.184SC*.G310 helixtrans-68.7-16.4176.900000114T86 T90T86-A88 PolarHBondContact O-N 2.86Å; T86-A88 VanDerWaalsContact O-N 3.07Å; T86-A88 PolarHBondContact OG1-N 2.82Å; A88-T90 VanDerWaalsContact C-N 3.29Å
89D96.8Very high93.8Very high2 Ų233.8 Ų33.81%0.01121%0.205CC..G310 helixtrans-86.60.6175.5-58.3-56.3000112.3R38 R66 L82 V85 T86 A87 A91 Y93R38-D89 IonicContact CZ-OD1 2.84Å; R38-D89 IonicContact NH1-OD1 3.23Å; R38-D89 PolarHBondContact NH1-OD1 3.06Å; R66-D89 IonicContact CZ-OD1 3.58Å; R66-D89 IonicContact CZ-OD2 2.85Å; R66-D89 IonicContact NH1-OD1 3.68Å; R66-D89 IonicContact NH1-OD2 3.73Å; R66-D89 PolarHBondContact NH1-OD2 2.88Å; R66-D89 IonicContact NH2-OD1 3.58Å; R66-D89 PolarHBondContact NH2-OD1 2.85Å; R66-D89 IonicContact NH2-OD2 2.75Å; L82-D89 HydrophobicContact CD2-CB 3.96Å; V85-D89 WeakPolarHBondContact CA-OD2 3.35Å; V85-D89 HydrophobicContact CB-CB 4.45Å; T86-D89 PolarHBondContact N-OD2 3.04Å; T86-D89 WeakPolarHBondContact O-CB 3.47Å; T86-D89 PolarHBondContact O-N 3.31Å; T86-D89 PolarHBondContact OG1-OD2 3.04Å; A87-D89 PolarHBondContact O-N 2.82Å; D89-A91 PolarHBondContact O-N 3.06Å; D89-Y93 WeakPolarHBondContact O-CE2 3.31Å; D89-Y93 PolarHBondContact O-OH 3.14Å
90T97.6Very high91.8Very high32 Ų3235 Ų3520%0.19622%0.216CC..  trans-64.6117.8169.8-63.60000110.2P41 A87 A88 V114 V116P41-T90 VanDerWaalsContact CD-O 3.32Å; P41-T90 WeakPolarHBondContact CD-O 3.3Å; A87-T90 VanDerWaalsContact O-CB 3.27Å; A87-T90 WeakPolarHBondContact O-CB 3.42Å; A87-T90 PolarHBondContact O-N 2.91Å; A87-T90 VanDerWaalsContact O-N 3.16Å; A87-T90 PolarHBondContact O-OG1 3.44Å; A87-T90 VanDerWaalsContact O-OG1 3.05Å; A88-T90 VanDerWaalsContact C-N 3.29Å; T90-V114 WeakPolarHBondContact CA-O 3.09Å; T90-V116 PolarHBondContact OG1-N 2.83Å
91A97.3Very high89.7Confident0 Ų040.1 Ų40.10%025%0.247CC..EExtended strand (participates in β ladder)trans-167.1168.2-17600000111.2R38 Q39 P40 D89 Y93 V114R38-A91 HydrophobicContact CB-CB 3.86Å; R38-A91 HydrophobicContact CG-CB 4.43Å; Q39-A91 WeakPolarHBondContact O-CA 3.32Å; Q39-A91 WeakPolarHBondContact O-CB 3.24Å; P40-A91 HydrophobicContact CG-CB 4.37Å; D89-A91 PolarHBondContact O-N 3.06Å; A91-Y93 HydrophobicContact CB-CD2 4.18Å; A91-Y93 HydrophobicContact CB-CE2 3.74Å; A91-Y93 WeakPolarHBondContact O-CD2 3.39Å; A91-V114 PolarHBondContact N-O 3.13Å; A91-V114 VanDerWaalsContact N-O 3.1Å; A91-V114 PolarHBondContact O-N 3.34Å
92V97.3Very high87.7Confident43 Ų4338.7 Ų38.726%0.26126%0.257SS..EExtended strand (participates in β ladder)trans-85.9125.4159.5-173.30000108.4R38 Q39 F94 T112 L113R38-V92 CarbonylContact C-O 3.49Å; R38-V92 VanDerWaalsContact CA-O 3.27Å; R38-V92 WeakPolarHBondContact CA-O 3.28Å; Q39-V92 PolarHBondContact N-O 3.39Å; Q39-V92 PolarHBondContact O-N 2.94Å; V92-F94 HydrophobicContact CB-CE2 3.84Å; V92-F94 HydrophobicContact CB-CZ 3.89Å; V92-F94 HydrophobicContact CG1-CD2 4.39Å; V92-F94 HydrophobicContact CG1-CE1 3.81Å; V92-F94 HydrophobicContact CG1-CE2 3.65Å; V92-F94 HydrophobicContact CG1-CZ 3.32Å; V92-T112 WeakPolarHBondContact CA-O 3.38Å; V92-L113 HydrophobicContact CG2-CD1 4.12Å
93Y97.3Very high85.8Confident0 Ų042.3 Ų42.30%028%0.277CS..EExtended strand (participates in β ladder)trans-103.4127.4-179.3-73.3-105.1000110.5Q6 L18 L20 I37 R38 I48 L80 D89 A91 G111 T112 V114Q6-Y93 PolarHBondContact NE2-O 2.85Å; L18-Y93 HydrophobicContact CD2-CD1 4.32Å; L18-Y93 HydrophobicContact CD2-CE1 3.86Å; L18-Y93 HydrophobicContact CD2-CE2 4.1Å; L20-Y93 HydrophobicContact CD1-CD1 3.9Å; L20-Y93 HydrophobicContact CD1-CD2 4.4Å; L20-Y93 HydrophobicContact CD1-CG 3.66Å; I37-Y93 CarbonylContact O-C 3.58Å; I37-Y93 WeakPolarHBondContact O-CA 3.35Å; R38-Y93 HydrophobicContact CB-CD1 3.9Å; R38-Y93 HydrophobicContact CB-CD2 4.47Å; R38-Y93 HydrophobicContact CB-CE1 3.87Å; R38-Y93 HydrophobicContact CB-CE2 4.43Å; R38-Y93 HydrophobicContact CB-CG 4.2Å; R38-Y93 HydrophobicContact CG-CE1 4.48Å; I48-Y93 HydrophobicContact CD1-CD1 3.69Å; I48-Y93 HydrophobicContact CD1-CE1 3.56Å; L80-Y93 HydrophobicContact CD2-CD1 3.85Å; L80-Y93 HydrophobicContact CD2-CE1 4.1Å; D89-Y93 WeakPolarHBondContact O-CE2 3.31Å; D89-Y93 PolarHBondContact O-OH 3.14Å; A91-Y93 HydrophobicContact CB-CD2 4.18Å; A91-Y93 HydrophobicContact CB-CE2 3.74Å; A91-Y93 WeakPolarHBondContact O-CD2 3.39Å; Y93-G111 CarbonylContact O-C 3.53Å; Y93-G111 WeakPolarHBondContact O-CA 3.28Å; Y93-T112 PolarHBondContact N-O 2.81Å; Y93-T112 PolarHBondContact O-N 3.04Å; Y93-V114 HydrophobicContact CD2-CB 3.82Å; Y93-V114 HydrophobicContact CD2-CG2 3.5Å; Y93-V114 VanDerWaalsContact CD2-CG2 3.5Å; Y93-V114 HydrophobicContact CE2-CB 3.72Å; Y93-V114 HydrophobicContact CE2-CG1 4.38Å; Y93-V114 HydrophobicContact CE2-CG2 3.85Å; Y93-V114 HydrophobicContact CG-CG2 4.31Å
94F96.2Very high83.9Confident33 Ų3343.7 Ų43.715%0.14530%0.298CS..EExtended strand (participates in β ladder)trans-114.6141.9-178.9-56.4-86.3000110.3W36 I37 Q39 L45 V92 W108 G111W36-F94 WeakPolarHBondContact CA-O 3.47Å; I37-F94 PolarHBondContact N-O 3.19Å; I37-F94 PolarHBondContact O-N 2.87Å; Q39-F94 HydrophobicContact CB-CE2 3.98Å; L45-F94 HydrophobicContact CD2-CD2 4.4Å; L45-F94 HydrophobicContact CD2-CE2 4.32Å; V92-F94 HydrophobicContact CB-CE2 3.84Å; V92-F94 HydrophobicContact CB-CZ 3.89Å; V92-F94 HydrophobicContact CG1-CD2 4.39Å; V92-F94 HydrophobicContact CG1-CE1 3.81Å; V92-F94 HydrophobicContact CG1-CE2 3.65Å; V92-F94 HydrophobicContact CG1-CZ 3.32Å; F94-W108 HydrophobicContact CB-CE3 3.74Å; F94-W108 HydrophobicContact CB-CZ3 3.78Å; F94-W108 HydrophobicContact CD1-CE3 4.25Å; F94-W108 HydrophobicContact CD2-CZ3 4.37Å; F94-W108 HydrophobicContact CG-CE3 4.03Å; F94-W108 HydrophobicContact CG-CZ3 4.02Å; F94-G111 VanDerWaalsContact CD1-CA 3.47Å
95C95.3Very high82.3Confident0 Ų041.3 Ų41.30%028%0.283CS..EExtended strand (participates in β ladder)trans-103.5140.1164.9750000108.6L4 Q6 C22 S35 W36 F78 G109L4-C95 WeakPolarHBondContact CD1-O 3.33Å; Q6-C95 HydrophobicContact CG-CB 3.97Å; Q6-C95 WeakPolarHBondContact CG-SG 3.5Å; C22-C95 HydrophobicContact CB-CB 3.45Å; C22-C95 VanDerWaalsContact CB-CB 3.45Å; C22-C95 WeakPolarHBondContact CB-SG 3.34Å; C22-C95 WeakPolarHBondContact SG-CB 3.44Å; C22-C95 CovalentContact SG-SG 2.05Å; C22-C95 PolarHBondContact SG-SG 3.22Å; S35-C95 WeakPolarHBondContact O-CA 3.31Å; W36-C95 HydrophobicContact CD2-CB 4.4Å; W36-C95 HydrophobicContact CE3-CB 4.19Å; W36-C95 HydrophobicContact CH2-CB 4.05Å; W36-C95 HydrophobicContact CZ2-CB 4.25Å; W36-C95 HydrophobicContact CZ3-CB 4.03Å; F78-C95 HydrophobicContact CE1-CB 4.27Å; F78-C95 HydrophobicContact CE2-CB 4.05Å; F78-C95 HydrophobicContact CZ-CB 3.51Å; C95-G109 PolarHBondContact O-N 3.21Å
96T93.5Very high81.3Confident4 Ų445.4 Ų45.43%0.02531%0.305CS..EExtended strand (participates in β ladder)trans-145159.4-177.2-176.30000111.9W34 S35 I37 Y107W34-T96 WeakPolarHBondContact CA-O 3.46Å; S35-T96 PolarHBondContact N-O 2.94Å; S35-T96 PolarHBondContact O-N 3.42Å; I37-T96 HydrophobicContact CD1-CG2 3.63Å; I37-T96 HydrophobicContact CG1-CG2 4.24Å; T96-Y107 WeakPolarHBondContact CA-O 3.25Å; T96-Y107 VanDerWaalsContact CB-O 3.32Å; T96-Y107 WeakPolarHBondContact CB-O 3.5Å; T96-Y107 PolarHBondContact OG1-O 3.29Å
97R90.8Very high80.9Confident24 Ų2445.7 Ų45.79%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-103126.4172-166.6-172.275.6166.26.4110Y32 W34 G105 D106 Y107Y32-R97 HydrophobicContact CD1-CG 4.01Å; Y32-R97 VanDerWaalsContact CE1-CZ 3.42Å; Y32-R97 HydrophobicContact CG-CG 3.95Å; Y32-R97 VanDerWaalsContact CZ-NH1 3.32Å; W34-R97 HydrophobicContact CD2-CG 4.3Å; W34-R97 HydrophobicContact CE3-CB 3.88Å; W34-R97 HydrophobicContact CE3-CG 4.09Å; W34-R97 HydrophobicContact CH2-CB 3.9Å; W34-R97 HydrophobicContact CH2-CG 3.7Å; W34-R97 HydrophobicContact CZ2-CG 3.9Å; W34-R97 HydrophobicContact CZ3-CB 3.51Å; W34-R97 HydrophobicContact CZ3-CG 3.78Å; R97-G105 CarbonylContact O-C 3.45Å; R97-G105 WeakPolarHBondContact O-CA 3.03Å; R97-D106 IonicContact CZ-OD2 2.76Å; R97-D106 IonicContact NE-OD2 2.72Å; R97-D106 IonicContact NH2-OD2 3.86Å; R97-D106 PolarHBondContact NH2-OD2 3.1Å; R97-D106 PolarHBondContact O-N 2.79Å; R97-Y107 HydrophobicContact CB-CD2 4.43Å; R97-Y107 VanDerWaalsContact CZ-CD2 3.48Å; R97-Y107 PolarHBondContact N-O 3.12Å; R97-Y107 VanDerWaalsContact N-O 3.08Å; R97-Y107 VanDerWaalsContact NH2-CE2 3.3Å
98G77.3Confident80.7Confident7 Ų747.2 Ų47.27%0.07229%0.29CS..EExtended strand (participates in β ladder)trans-123.3153.3171.500000112Y33Y33-G98 PolarHBondContact N-O 2.89Å; Y33-G98 PolarHBondContact O-N 3.27Å
99L60.3Low80.6Confident83 Ų8343.9 Ų43.944%0.43526%0.264SS..SBendtrans-82.9-36.7170.9-75.3166.6000111.1Y32 D103Y32-L99 HydrophobicContact CD1-CD2 3.64Å; Y32-L99 HydrophobicContact CD1-CG 4.36Å; Y32-L99 HydrophobicContact CE1-CD2 3.57Å; Y32-L99 HydrophobicContact CE1-CG 4.42Å; L99-D103 HydrophobicContact CB-CB 4.29Å
100T55.8Low80.4Confident67 Ų6752.3 Ų52.341%0.41130%0.303SS..SBendtrans-152.6172.2174.365.40000109.9A102 D103T100-A102 PolarHBondContact O-N 2.92Å; T100-A102 PolarHBondContact OG1-N 3.48Å; T100-D103 PolarHBondContact O-N 3.42Å; T100-D103 PolarHBondContact OG1-OD2 2.99Å
101T54.3Low80.2Confident108 Ų10851.8 Ų51.866%0.66330%0.303SS*.THydrogen-bonded Turntrans-58.5-13173.852.10000114.3E50E50-T101 WeakPolarHBondContact OE1-CG2 3.32Å
102A54.6Low80.1Confident86 Ų8652.9 Ų52.971%0.71131%0.31SS*.THydrogen-bonded Turntrans-100.6-17.4-177.200000114.4T100T100-A102 PolarHBondContact O-N 2.92Å; T100-A102 PolarHBondContact OG1-N 3.48Å
103D57.8Low80.1Confident80 Ų8055.8 Ų55.843%0.42832%0.324SS..SBendtrans-97.1109-175.3-60.6-47.7000109.4L99 T100 G105L99-D103 HydrophobicContact CB-CB 4.29Å; T100-D103 PolarHBondContact O-N 3.42Å; T100-D103 PolarHBondContact OG1-OD2 2.99Å; D103-G105 PolarHBondContact O-N 3.01Å; D103-G105 VanDerWaalsContact O-N 3.09Å
104G57.3Low80.1Confident72 Ų7255.8 Ų55.874%0.74232%0.324SS*.  trans-50.3117.4177.200000110.7D106G104-D106 PolarHBondContact O-N 2.96Å
105G62.4Low80.1Confident17 Ų1756 Ų5618%0.17533%0.33CS..  trans-55.9134.1-163.400000114.8R97 D103 Y107 W108R97-G105 CarbonylContact O-C 3.45Å; R97-G105 WeakPolarHBondContact O-CA 3.03Å; D103-G105 PolarHBondContact O-N 3.01Å; D103-G105 VanDerWaalsContact O-N 3.09Å; G105-Y107 VanDerWaalsContact C-N 3.33Å; G105-Y107 PolarHBondContact O-N 3.22Å; G105-W108 PolarHBondContact O-NE1 3.39Å
106D77Confident80.2Confident87 Ų8756.3 Ų56.347%0.46533%0.331SS..SBendtrans-72.5-24.7-173.1-54.5-36.7000113.5R97 G104R97-D106 IonicContact CZ-OD2 2.76Å; R97-D106 IonicContact NE-OD2 2.72Å; R97-D106 IonicContact NH2-OD2 3.86Å; R97-D106 PolarHBondContact NH2-OD2 3.1Å; R97-D106 PolarHBondContact O-N 2.79Å; G104-D106 PolarHBondContact O-N 2.96Å
107Y87.9Confident80.2Confident72 Ų7259 Ų5928%0.28235%0.351SS..EExtended strand (participates in β ladder)trans-135.5135.1-176.4-63.6-74.8000110.7V2 L4 T96 R97 G105V2-Y107 HydrophobicContact CB-CD1 3.92Å; V2-Y107 HydrophobicContact CB-CD2 3.94Å; V2-Y107 HydrophobicContact CB-CE1 3.81Å; V2-Y107 HydrophobicContact CB-CE2 3.82Å; V2-Y107 HydrophobicContact CB-CG 3.99Å; V2-Y107 HydrophobicContact CG1-CD1 4.48Å; V2-Y107 HydrophobicContact CG1-CD2 4.17Å; V2-Y107 HydrophobicContact CG1-CE2 4.49Å; V2-Y107 HydrophobicContact CG1-CG 4.16Å; V2-Y107 HydrophobicContact CG2-CD2 4.35Å; V2-Y107 HydrophobicContact CG2-CE1 4.48Å; V2-Y107 HydrophobicContact CG2-CE2 3.87Å; L4-Y107 WeakPolarHBondContact CD1-O 3.41Å; T96-Y107 WeakPolarHBondContact CA-O 3.25Å; T96-Y107 VanDerWaalsContact CB-O 3.32Å; T96-Y107 WeakPolarHBondContact CB-O 3.5Å; T96-Y107 PolarHBondContact OG1-O 3.29Å; R97-Y107 HydrophobicContact CB-CD2 4.43Å; R97-Y107 VanDerWaalsContact CZ-CD2 3.48Å; R97-Y107 PolarHBondContact N-O 3.12Å; R97-Y107 VanDerWaalsContact N-O 3.08Å; R97-Y107 VanDerWaalsContact NH2-CE2 3.3Å; G105-Y107 VanDerWaalsContact C-N 3.33Å; G105-Y107 PolarHBondContact O-N 3.22Å
108W92Very high79.9Confident101 Ų10165.1 Ų65.138%0.38340%0.397SS..EExtended strand (participates in β ladder)trans-126.1139.4-178.9-71.871.1000110.3I37 L45 F94 G105I37-W108 HydrophobicContact CB-CZ3 4.38Å; I37-W108 HydrophobicContact CD1-CH2 3.36Å; I37-W108 HydrophobicContact CD1-CZ2 3.98Å; I37-W108 HydrophobicContact CD1-CZ3 3.96Å; I37-W108 HydrophobicContact CG1-CH2 4.49Å; I37-W108 HydrophobicContact CG2-CH2 4.33Å; I37-W108 HydrophobicContact CG2-CZ3 4.36Å; L45-W108 HydrophobicContact CD1-CH2 3.92Å; L45-W108 HydrophobicContact CD2-CZ3 4.47Å; F94-W108 HydrophobicContact CB-CE3 3.74Å; F94-W108 HydrophobicContact CB-CZ3 3.78Å; F94-W108 HydrophobicContact CD1-CE3 4.25Å; F94-W108 HydrophobicContact CD2-CZ3 4.37Å; F94-W108 HydrophobicContact CG-CE3 4.03Å; F94-W108 HydrophobicContact CG-CZ3 4.02Å; G105-W108 PolarHBondContact O-NE1 3.39Å
109G93.3Very high80Confident4 Ų468.1 Ų68.14%0.04141%0.413CS..  trans-73.4163.3162.900000110.8Q6 C95 G111Q6-G109 VanDerWaalsContact OE1-C 3.28Å; C95-G109 PolarHBondContact O-N 3.21Å; G109-G111 PolarHBondContact O-N 3.35Å; G109-G111 VanDerWaalsContact O-N 3.14Å
110Q92.8Very high81Confident179 Ų17967.3 Ų67.384%0.83641%0.412SS*.  trans-67.5-12-177.4-64.1-61.5-5600113.7
111G94Very high82.4Confident20 Ų2067.3 Ų67.321%0.20641%0.412CS..  trans88.3155.2-174.700000113.1Q6 Y93 F94 G109Q6-G111 VanDerWaalsContact OE1-N 3.12Å; Y93-G111 CarbonylContact O-C 3.53Å; Y93-G111 WeakPolarHBondContact O-CA 3.28Å; F94-G111 VanDerWaalsContact CD1-CA 3.47Å; G109-G111 PolarHBondContact O-N 3.35Å; G109-G111 VanDerWaalsContact O-N 3.14Å
112T95.3Very high84.1Confident23 Ų2364.9 Ų64.914%0.14140%0.397CS..EExtended strand (participates in β ladder)trans-130.6122.2172.5-62.10000108.5L20 V92 Y93 V114L20-T112 HydrophobicContact CD2-CG2 4.19Å; V92-T112 WeakPolarHBondContact CA-O 3.38Å; Y93-T112 PolarHBondContact N-O 2.81Å; Y93-T112 PolarHBondContact O-N 3.04Å; T112-V114 PolarHBondContact O-N 3.36Å
113L96.4Very high85.9Confident105 Ų10563.6 Ų63.655%0.5538%0.378SS..EExtended strand (participates in β ladder)trans-71.8123.4173.1177.863.3000109V92V92-L113 HydrophobicContact CG2-CD1 4.12Å
114V97.3Very high87.8Confident0 Ų062.5 Ų62.50%037%0.374CS..EExtended strand (participates in β ladder)trans-115.5124.6172.1-179.40000107.8G10 L12 L18 L20 T90 A91 Y93 T112 V116G10-V114 WeakPolarHBondContact O-CA 3.33Å; L12-V114 HydrophobicContact CD1-CG1 4.2Å; L18-V114 HydrophobicContact CD1-CB 4.48Å; L18-V114 HydrophobicContact CD1-CG1 3.84Å; L18-V114 HydrophobicContact CD1-CG2 3.78Å; L18-V114 HydrophobicContact CD2-CG1 4.17Å; L18-V114 HydrophobicContact CD2-CG2 4.17Å; L20-V114 HydrophobicContact CD1-CG2 4.43Å; L20-V114 HydrophobicContact CD2-CG2 4.26Å; T90-V114 WeakPolarHBondContact CA-O 3.09Å; A91-V114 PolarHBondContact N-O 3.13Å; A91-V114 VanDerWaalsContact N-O 3.1Å; A91-V114 PolarHBondContact O-N 3.34Å; Y93-V114 HydrophobicContact CD2-CB 3.82Å; Y93-V114 HydrophobicContact CD2-CG2 3.5Å; Y93-V114 VanDerWaalsContact CD2-CG2 3.5Å; Y93-V114 HydrophobicContact CE2-CB 3.72Å; Y93-V114 HydrophobicContact CE2-CG1 4.38Å; Y93-V114 HydrophobicContact CE2-CG2 3.85Å; Y93-V114 HydrophobicContact CG-CG2 4.31Å; T112-V114 PolarHBondContact O-N 3.36Å; V114-V116 HydrophobicContact CG1-CG2 4.5Å
115S97.1Very high90Very high38 Ų3861.8 Ų61.827%0.26635%0.348SS..EExtended strand (participates in β ladder)trans-111.4132.9174.8-59.50000110.2G10 L11 L12G10-S115 PolarHBondContact O-N 2.72Å; L11-S115 CarbonylContact C-O 3.59Å; L11-S115 WeakPolarHBondContact CA-O 3.39Å; L12-S115 PolarHBondContact N-O 3.09Å
116V97.1Very high92.1Very high6 Ų665.2 Ų65.24%0.03636%0.361CS..EExtended strand (participates in β ladder)trans-117.5109.2174.7-173.30000109.2L12 P14 V85 T86 T90 V114L12-V116 HydrophobicContact CB-CG2 4.41Å; L12-V116 VanDerWaalsContact O-CA 3.27Å; L12-V116 WeakPolarHBondContact O-CA 3.38Å; P14-V116 HydrophobicContact CG-CG1 4.4Å; V85-V116 HydrophobicContact CB-CG1 4.38Å; V85-V116 HydrophobicContact CB-CG2 4.08Å; V85-V116 HydrophobicContact CG2-CG1 3.81Å; V85-V116 HydrophobicContact CG2-CG2 3.96Å; T86-V116 VanDerWaalsContact O-CB 3.31Å; T86-V116 WeakPolarHBondContact O-CB 3.12Å; T86-V116 WeakPolarHBondContact O-CG1 3.15Å; T90-V116 PolarHBondContact OG1-N 2.83Å; V114-V116 HydrophobicContact CG1-CG2 4.5Å
117S93.9Very high93.4Very high61 Ų6163.4 Ų63.443%0.42735%0.353SS..  trans-147.8153.2-177.359.10000111.6L12L12-S117 PolarHBondContact O-N 2.57Å
118S83.4Confident93.9Very high152 Ų15262.6 Ų62.6100%1.06336%0.359SS*.  trans-77.80174.8570000112.6

Retrieved 118 of 118 residues in 70.5 ms (Link to these results)

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