A0A075B5S4_MOUSE Loading...

Immunoglobulin heavy variable V3-3

AlphaFold DB , UniProt , Accession A0A075B5S4, Species MOUSE (Mus musculus, Mouse), Gene Ighv3-3, Length 98 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
1D87.6Confident95.8Very high162 Ų16292.6 Ų92.687%0.86653%0.533SS*.  0150.40-170.426.2000108.9Q3D1-Q3 PolarHBondContact OD2-NE2 3.04Å
2V92Very high95.8Very high41 Ų4187.5 Ų87.525%0.24850%0.504CS..  trans-95.3126.7-178.4-174.20000109.1L4 V24 T25 F27V2-L4 HydrophobicContact CG1-CD2 4.47Å; V2-V24 HydrophobicContact CG1-CG1 4.3Å; V2-T25 WeakPolarHBondContact CA-O 3.25Å; V2-F27 HydrophobicContact CB-CB 4.35Å; V2-F27 HydrophobicContact CG1-CB 3.78Å; V2-F27 HydrophobicContact CG2-CB 3.73Å; V2-F27 HydrophobicContact CG2-CD2 4.18Å; V2-F27 HydrophobicContact CG2-CG 4.18Å
3Q96.8Very high95.9Very high109 Ų10995 Ų9551%0.50952%0.519SS..EExtended strand (participates in β ladder)trans-124134.2-178.1-64.7-67.1-32.300109.7D1 T25D1-Q3 PolarHBondContact OD2-NE2 3.04Å; Q3-T25 PolarHBondContact N-O 2.79Å; Q3-T25 PolarHBondContact O-N 3.31Å
4L98Very high95.9Very high50 Ų5094.8 Ų94.826%0.26253%0.525SS..EExtended strand (participates in β ladder)trans-117129.9-179.9-58.5-174.9000108.8V2 V24 W35 C96V2-L4 HydrophobicContact CG1-CD2 4.47Å; L4-V24 HydrophobicContact CD2-CB 4.23Å; L4-V24 HydrophobicContact CD2-CG1 3.99Å; L4-V24 HydrophobicContact CD2-CG2 3.71Å; L4-W35 HydrophobicContact CD2-CE3 4.49Å; L4-W35 HydrophobicContact CD2-CZ3 3.85Å; L4-C96 WeakPolarHBondContact CD1-O 3.15Å
5Q98.3Very high96Very high129 Ų12995.1 Ų95.160%0.60354%0.536SS*.EExtended strand (participates in β ladder)trans-129107.7-179.9-175.3-179.312.600110.4C22 T23Q5-C22 WeakPolarHBondContact O-CA 3.38Å; Q5-T23 PolarHBondContact N-O 2.69Å; Q5-T23 PolarHBondContact O-N 3.22Å
6E98.5Very high96.1Very high71 Ų7194.9 Ų94.933%0.33253%0.53SS..EExtended strand (participates in β ladder)trans-74.4142171.8-5984.5169.600111.3T21 W37 Y95 C96E6-T21 CarbonylContact C-O 3.55Å; E6-T21 WeakPolarHBondContact CA-O 3.49Å; E6-W37 HydrophobicContact CG-CH2 4.41Å; E6-W37 HydrophobicContact CG-CZ3 4.13Å; E6-Y95 VanDerWaalsContact OE1-CA 3.32Å; E6-Y95 WeakPolarHBondContact OE1-CA 3.3Å; E6-C96 VanDerWaalsContact CD-SG 3.52Å; E6-C96 HydrophobicContact CG-CB 4.33Å; E6-C96 VanDerWaalsContact CG-SG 3.58Å; E6-C96 PolarHBondContact OE1-N 3.24Å; E6-C96 PolarHBondContact OE1-SG 2.7Å; E6-C96 VanDerWaalsContact OE1-SG 3.33Å
7S98.4Very high96.2Very high57 Ų5793.4 Ų93.440%0.39952%0.523SS..EExtended strand (participates in β ladder)trans-148.8150.4176.658.30000110.2L20 T21S7-L20 CarbonylContact O-C 3.51Å; S7-L20 WeakPolarHBondContact O-CA 3.31Å; S7-T21 PolarHBondContact N-O 3.27Å; S7-T21 PolarHBondContact O-N 3.06Å; S7-T21 PolarHBondContact OG-O 2.89Å; S7-T21 VanDerWaalsContact OG-O 3.09Å
8G97.9Very high96.3Very high46 Ų4689.1 Ų89.147%0.47450%0.499SS..SBendtrans156-177.5-178.800000111.9
9P96.9Very high96.4Very high60 Ų6087.1 Ų87.139%0.3949%0.491SS..  trans-70.3134.8-179.930.2-33.3000110.9L11 V12 L18 S19P9-L11 VanDerWaalsContact C-N 3.3Å; P9-V12 HydrophobicContact CB-CG2 3.94Å; P9-V12 HydrophobicContact CG-CG2 3.52Å; P9-L18 HydrophobicContact CG-CD1 3.97Å; P9-S19 WeakPolarHBondContact CD-O 3.1Å
10S94.4Very high96.6Very high136 Ų13683.5 Ų83.595%0.95147%0.471SS*.SBendtrans-73.6-22.5174.8-48.80000113.3
11L94.9Very high96.7Very high158 Ų15881.2 Ų81.283%0.82746%0.459SS*.  trans-142.4136.5179.7-176.367.3000109.9P9P9-L11 VanDerWaalsContact C-N 3.3Å
12V96.6Very high97.2Very high31 Ų3173.5 Ų73.519%0.18842%0.418CS..  trans-134.4141.6178177.20000107.5P9 Q16 L18 V86P9-V12 HydrophobicContact CB-CG2 3.94Å; P9-V12 HydrophobicContact CG-CG2 3.52Å; V12-Q16 HydrophobicContact CG1-CB 3.48Å; V12-Q16 VanDerWaalsContact CG1-CB 3.48Å; V12-Q16 HydrophobicContact CG1-CG 4.47Å; V12-L18 HydrophobicContact CG2-CD1 3.97Å; V12-V86 HydrophobicContact CB-CG2 4.46Å; V12-V86 HydrophobicContact CG1-CG2 3.86Å
13R96.5Very high97.5Very high185 Ų18573 Ų7370%0.69842%0.415SS*.  trans-74.9153.6178.6-61.6179.7179.6170.10.5110.1Q16 V86R13-Q16 HydrophobicContact CB-CG 4.09Å; R13-Q16 VanDerWaalsContact O-CB 3.31Å; R13-Q16 WeakPolarHBondContact O-CB 3.45Å; R13-Q16 PolarHBondContact O-N 3.24Å; R13-V86 WeakPolarHBondContact O-CG2 3.27Å
14P95.9Very high97.6Very high92 Ų9268 Ų6860%0.59739%0.391SS*.THydrogen-bonded Turntrans-49.6147171.5-27.635.5000112.4Q16 V86P14-Q16 PolarHBondContact O-N 3.19Å; P14-Q16 VanDerWaalsContact O-N 3.11Å; P14-V86 WeakPolarHBondContact CA-O 3.47Å
15S96.7Very high97.5Very high100 Ų10069.6 Ų69.670%0.69940%0.404SS*.THydrogen-bonded Turntrans66.7-2.9-177.9-48.90000116.1V86S15-V86 PolarHBondContact N-O 3.05Å
16Q98Very high97.4Very high92 Ų9266.3 Ų66.343%0.4340%0.404SS..SBendtrans-81.2-179.4171.7-63.4-173.7-35.400111.6V12 R13 P14 S85 V86V12-Q16 HydrophobicContact CG1-CB 3.48Å; V12-Q16 VanDerWaalsContact CG1-CB 3.48Å; V12-Q16 HydrophobicContact CG1-CG 4.47Å; R13-Q16 HydrophobicContact CB-CG 4.09Å; R13-Q16 VanDerWaalsContact O-CB 3.31Å; R13-Q16 WeakPolarHBondContact O-CB 3.45Å; R13-Q16 PolarHBondContact O-N 3.24Å; P14-Q16 PolarHBondContact O-N 3.19Å; P14-Q16 VanDerWaalsContact O-N 3.11Å; Q16-S85 PolarHBondContact O-N 2.86Å; Q16-S85 VanDerWaalsContact O-N 3.15Å; Q16-V86 PolarHBondContact O-N 3.07Å
17T98.2Very high97.2Very high69 Ų6965.9 Ų65.942%0.42340%0.401SS..  trans-104.8121.1176-56.70000110.3K82 L83T17-K82 HydrophobicContact CG2-CB 4.08Å; T17-L83 CarbonylContact C-O 3.48Å; T17-L83 VanDerWaalsContact CA-O 3.32Å; T17-L83 WeakPolarHBondContact CA-O 3.42Å
18L98.4Very high97.1Very high15 Ų1565.7 Ų65.78%0.07940%0.4CS..EExtended strand (participates in β ladder)trans-73.3128.9165.6174.564.2000108.6P9 V12 L20 K82 L83 V86 Y94P9-L18 HydrophobicContact CG-CD1 3.97Å; V12-L18 HydrophobicContact CG2-CD1 3.97Å; L18-L20 HydrophobicContact CD1-CD2 3.83Å; L18-L20 HydrophobicContact CD1-CG 4.07Å; L18-L20 HydrophobicContact CD2-CD1 4.13Å; L18-L20 HydrophobicContact CD2-CG 4.3Å; L18-L20 HydrophobicContact CG-CD1 4.39Å; L18-L20 HydrophobicContact CG-CD2 4.33Å; L18-L20 HydrophobicContact CG-CG 4.01Å; L18-K82 CarbonylContact O-C 3.57Å; L18-K82 VanDerWaalsContact O-CA 3.27Å; L18-K82 WeakPolarHBondContact O-CA 3.5Å; L18-L83 HydrophobicContact CB-CB 4.35Å; L18-L83 PolarHBondContact N-O 2.84Å; L18-L83 PolarHBondContact O-N 3.11Å; L18-V86 HydrophobicContact CB-CG1 3.86Å; L18-Y94 HydrophobicContact CD2-CD1 4.38Å; L18-Y94 HydrophobicContact CD2-CD2 4.14Å; L18-Y94 HydrophobicContact CD2-CE1 3.94Å; L18-Y94 HydrophobicContact CD2-CE2 3.7Å; L18-Y94 HydrophobicContact CD2-CG 4.48Å
19S98.5Very high97Very high51 Ų5163.6 Ų63.636%0.35738%0.378SS..EExtended strand (participates in β ladder)trans-125.2114.2176.3-62.30000109.5P9 L81P9-S19 WeakPolarHBondContact CD-O 3.1Å; S19-L81 WeakPolarHBondContact CA-O 3.45Å
20L98.8Very high96.8Very high16 Ų1665.1 Ų65.18%0.08438%0.383CS..EExtended strand (participates in β ladder)trans-117.1150.2179-58.7177.7000110.2S7 L18 W37 S80 L81 Y94S7-L20 CarbonylContact O-C 3.51Å; S7-L20 WeakPolarHBondContact O-CA 3.31Å; L18-L20 HydrophobicContact CD1-CD2 3.83Å; L18-L20 HydrophobicContact CD1-CG 4.07Å; L18-L20 HydrophobicContact CD2-CD1 4.13Å; L18-L20 HydrophobicContact CD2-CG 4.3Å; L18-L20 HydrophobicContact CG-CD1 4.39Å; L18-L20 HydrophobicContact CG-CD2 4.33Å; L18-L20 HydrophobicContact CG-CG 4.01Å; L20-W37 HydrophobicContact CB-CH2 3.77Å; L20-W37 HydrophobicContact CB-CZ2 4.32Å; L20-W37 HydrophobicContact CB-CZ3 4.12Å; L20-W37 HydrophobicContact CD1-CZ3 4.09Å; L20-S80 CarbonylContact O-C 3.58Å; L20-S80 WeakPolarHBondContact O-CA 3.45Å; L20-S80 WeakPolarHBondContact O-CB 3.44Å; L20-S80 PolarHBondContact O-OG 2.78Å; L20-L81 HydrophobicContact CB-CB 4.39Å; L20-L81 HydrophobicContact CD1-CD2 4.3Å; L20-L81 PolarHBondContact N-O 3.18Å; L20-L81 PolarHBondContact O-N 3.23Å; L20-Y94 HydrophobicContact CD1-CD1 3.78Å; L20-Y94 HydrophobicContact CD1-CD2 4.16Å; L20-Y94 HydrophobicContact CD1-CG 3.48Å; L20-Y94 VanDerWaalsContact CD1-CG 3.48Å
21T98.7Very high96.8Very high36 Ų3660.8 Ų60.822%0.22135%0.352CS..EExtended strand (participates in β ladder)trans-130.5133.7175.2-62.50000109.3E6 S7 Q78 S80E6-T21 CarbonylContact C-O 3.55Å; E6-T21 WeakPolarHBondContact CA-O 3.49Å; S7-T21 PolarHBondContact N-O 3.27Å; S7-T21 PolarHBondContact O-N 3.06Å; S7-T21 PolarHBondContact OG-O 2.89Å; S7-T21 VanDerWaalsContact OG-O 3.09Å; T21-Q78 HydrophobicContact CG2-CB 3.99Å; T21-Q78 HydrophobicContact CG2-CG 3.87Å; T21-S80 PolarHBondContact OG1-OG 3.16Å
22C98.6Very high96.7Very high0 Ų058.6 Ų58.60%034%0.342CS..EExtended strand (participates in β ladder)trans-105.6121169.3-176.40000109.1Q5 W37 Q78 F79 C96Q5-C22 WeakPolarHBondContact O-CA 3.38Å; C22-W37 HydrophobicContact CB-CH2 3.83Å; C22-W37 HydrophobicContact CB-CZ2 3.72Å; C22-Q78 VanDerWaalsContact O-CA 3.28Å; C22-Q78 WeakPolarHBondContact O-CA 3.47Å; C22-F79 HydrophobicContact CB-CD1 3.96Å; C22-F79 HydrophobicContact CB-CD2 4.42Å; C22-F79 HydrophobicContact CB-CE1 3.57Å; C22-F79 HydrophobicContact CB-CE2 4.06Å; C22-F79 HydrophobicContact CB-CG 4.38Å; C22-F79 HydrophobicContact CB-CZ 3.65Å; C22-F79 PolarHBondContact N-O 3.08Å; C22-F79 PolarHBondContact O-N 3Å; C22-F79 VanDerWaalsContact O-N 3.09Å; C22-F79 WeakPolarHBondContact SG-CE1 3.33Å; C22-C96 HydrophobicContact CB-CB 3.37Å; C22-C96 WeakPolarHBondContact CB-SG 3.27Å; C22-C96 WeakPolarHBondContact SG-CB 3.43Å; C22-C96 CovalentContact SG-SG 2.03Å; C22-C96 PolarHBondContact SG-SG 3.5Å
23T98.6Very high96.6Very high30 Ų3058.7 Ų58.718%0.18434%0.343CS..EExtended strand (participates in β ladder)trans-94.2126.8172.6-570000109.4Q5 Q78Q5-T23 PolarHBondContact N-O 2.69Å; Q5-T23 PolarHBondContact O-N 3.22Å; T23-Q78 HydrophobicContact CG2-CG 4.19Å; T23-Q78 PolarHBondContact OG1-NE2 3.34Å
24V98Very high96.5Very high3 Ų355.4 Ų55.42%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-100.9130.8178.4-173.70000109V2 L4 F27 I29 W35 N77 F79V2-V24 HydrophobicContact CG1-CG1 4.3Å; L4-V24 HydrophobicContact CD2-CB 4.23Å; L4-V24 HydrophobicContact CD2-CG1 3.99Å; L4-V24 HydrophobicContact CD2-CG2 3.71Å; V24-F27 HydrophobicContact CG1-CB 4.15Å; V24-F27 WeakPolarHBondContact CG1-O 3.34Å; V24-I29 HydrophobicContact CB-CG2 3.8Å; V24-I29 HydrophobicContact CG1-CG2 4.35Å; V24-I29 HydrophobicContact CG2-CG2 3.41Å; V24-I29 VanDerWaalsContact CG2-CG2 3.41Å; V24-W35 HydrophobicContact CG1-CH2 3.65Å; V24-W35 HydrophobicContact CG1-CZ2 4.36Å; V24-W35 HydrophobicContact CG1-CZ3 4.07Å; V24-W35 HydrophobicContact CG2-CE3 4.28Å; V24-W35 HydrophobicContact CG2-CH2 4.16Å; V24-W35 HydrophobicContact CG2-CZ3 3.99Å; V24-N77 PolarHBondContact N-O 2.6Å; V24-N77 PolarHBondContact O-ND2 3.12Å; V24-F79 HydrophobicContact CG2-CD1 4.1Å; V24-F79 HydrophobicContact CG2-CE1 3.82Å
25T97.5Very high96.6Very high85 Ų8551 Ų5152%0.52130%0.303SS..EExtended strand (participates in β ladder)trans-124.1143.4174.3-58.60000109.9V2 Q3 F27V2-T25 WeakPolarHBondContact CA-O 3.25Å; Q3-T25 PolarHBondContact N-O 2.79Å; Q3-T25 PolarHBondContact O-N 3.31Å; T25-F27 PolarHBondContact O-N 2.77Å
26G95.7Very high96.7Very high60 Ų6047.7 Ų47.762%0.61928%0.277SS*.SBendtrans76.63.4179.600000115.2
27F94.6Very high96.7Very high61 Ų6143.3 Ų43.327%0.26826%0.257SS..SBendtrans-152150.5173.7-161-100.8000110.5V2 V24 T25 C33 W35 N77 R98V2-F27 HydrophobicContact CB-CB 4.35Å; V2-F27 HydrophobicContact CG1-CB 3.78Å; V2-F27 HydrophobicContact CG2-CB 3.73Å; V2-F27 HydrophobicContact CG2-CD2 4.18Å; V2-F27 HydrophobicContact CG2-CG 4.18Å; V24-F27 HydrophobicContact CG1-CB 4.15Å; V24-F27 WeakPolarHBondContact CG1-O 3.34Å; T25-F27 PolarHBondContact O-N 2.77Å; F27-C33 HydrophobicContact CE1-CB 4.36Å; F27-W35 AromaticContact CD1-CH2 3.57Å; F27-W35 HydrophobicContact CD1-CH2 3.57Å; F27-W35 AromaticContact CD1-CZ2 3.55Å; F27-W35 HydrophobicContact CD1-CZ2 3.55Å; F27-W35 HydrophobicContact CE1-CH2 4.2Å; F27-W35 AromaticContact CE1-CZ2 3.91Å; F27-W35 HydrophobicContact CE1-CZ2 3.91Å; F27-W35 HydrophobicContact CG-CH2 4.47Å; F27-N77 PolarHBondContact O-ND2 3.31Å; F27-R98 VanDerWaalsContact CD1-NH1 3.31Å; F27-R98 VanDerWaalsContact CE1-NH1 3.27Å
28S95.5Very high96.7Very high54 Ų5442 Ų4238%0.37825%0.247SC..  trans-93131.4178.5178.40000111.2N30 S31 N77S28-N30 PolarHBondContact O-N 3.24Å; S28-N30 VanDerWaalsContact O-N 3.14Å; S28-N30 PolarHBondContact OG-N 3.36Å; S28-N30 VanDerWaalsContact OG-N 3.14Å; S28-S31 WeakPolarHBondContact O-CB 3.37Å; S28-S31 PolarHBondContact O-N 2.92Å; S28-S31 VanDerWaalsContact O-N 3.16Å; S28-S31 PolarHBondContact O-OG 2.88Å; S28-N77 WeakPolarHBondContact CA-OD1 3.49Å
29I95.6Very high96.7Very high1 Ų142 Ų421%0.00525%0.246CC..THydrogen-bonded Turntrans-69-6.2172.169.8166.5000113.5V24 W35 R72 T74 N77 Q78 F79V24-I29 HydrophobicContact CB-CG2 3.8Å; V24-I29 HydrophobicContact CG1-CG2 4.35Å; V24-I29 HydrophobicContact CG2-CG2 3.41Å; V24-I29 VanDerWaalsContact CG2-CG2 3.41Å; I29-W35 VanDerWaalsContact CA-NE1 3.31Å; I29-W35 HydrophobicContact CB-CZ2 4.22Å; I29-W35 HydrophobicContact CG2-CD2 4.28Å; I29-W35 HydrophobicContact CG2-CZ2 3.87Å; I29-W35 PolarHBondContact O-NE1 2.88Å; I29-R72 HydrophobicContact CD1-CB 4.21Å; I29-R72 HydrophobicContact CD1-CG 4.43Å; I29-R72 PolarHBondContact O-NH2 3.06Å; I29-T74 HydrophobicContact CD1-CG2 4.2Å; I29-T74 HydrophobicContact CG1-CG2 4.24Å; I29-N77 PolarHBondContact N-OD1 3.19Å; I29-Q78 WeakPolarHBondContact CD1-O 3.19Å; I29-F79 HydrophobicContact CG2-CD1 4.38Å
30N94.2Very high96.7Very high92 Ų9241.8 Ų41.849%0.49224%0.239SC..THydrogen-bonded Turntrans-95.4-3.9175.6-155.151.4000113.3S28 R72S28-N30 PolarHBondContact O-N 3.24Å; S28-N30 VanDerWaalsContact O-N 3.14Å; S28-N30 PolarHBondContact OG-N 3.36Å; S28-N30 VanDerWaalsContact OG-N 3.14Å; N30-R72 PolarHBondContact OD1-NH2 3.15Å; N30-R72 VanDerWaalsContact OD1-NH2 3.17Å
31S93.2Very high96.6Very high45 Ų4542.7 Ų42.732%0.31524%0.243SC..SBendtrans-66.1153.9168-61.50000110.5S28 C33 Y54S28-S31 WeakPolarHBondContact O-CB 3.37Å; S28-S31 PolarHBondContact O-N 2.92Å; S28-S31 VanDerWaalsContact O-N 3.16Å; S28-S31 PolarHBondContact O-OG 2.88Å; S31-C33 PolarHBondContact O-N 3.16Å; S31-Y54 WeakPolarHBondContact O-CB 3.29Å
32D93.5Very high96.4Very high112 Ų11246.4 Ų46.460%0.59927%0.267SS*.SBendtrans-64.969.1-177.8-171.212.6000112.9F53 Y54D32-F53 WeakPolarHBondContact OD1-CZ 3.44Å; D32-Y54 HydrophobicContact CB-CD1 4.17Å; D32-Y54 HydrophobicContact CB-CE1 4.2Å; D32-Y54 WeakPolarHBondContact OD1-CD1 3.49Å; D32-Y54 WeakPolarHBondContact OD1-CE1 3.27Å
33C93.4Very high96.2Very high33 Ų3350 Ų5022%0.22330%0.304CS..  trans-145.9159.2-173.6-67.80000110.1F27 S31 F53 Y54F27-C33 HydrophobicContact CE1-CB 4.36Å; S31-C33 PolarHBondContact O-N 3.16Å; C33-F53 VanDerWaalsContact C-CD2 3.44Å; C33-F53 WeakPolarHBondContact O-CD2 3.4Å; C33-Y54 PolarHBondContact O-N 3.33Å; C33-Y54 VanDerWaalsContact O-N 3.17Å
34Y95.8Very high95.7Very high117 Ų11754.5 Ų54.546%0.45933%0.327SS..EExtended strand (participates in β ladder)trans-101153.6170.152.1-98000111I36 T52 R98Y34-I36 HydrophobicContact CD2-CD1 3.61Å; Y34-I36 HydrophobicContact CD2-CG1 3.76Å; Y34-I36 HydrophobicContact CE2-CD1 3.46Å; Y34-I36 VanDerWaalsContact CE2-CD1 3.46Å; Y34-I36 HydrophobicContact CE2-CG1 4.15Å; Y34-T52 CarbonylContact C-O 3.56Å; Y34-T52 WeakPolarHBondContact CA-O 3.41Å; Y34-R98 VanDerWaalsContact CE2-OXT 3.27Å; Y34-R98 WeakPolarHBondContact CE2-OXT 3.03Å
35W97.4Very high95.6Very high0 Ų060.9 Ų60.90%036%0.355CS..EExtended strand (participates in β ladder)trans-126.2122.6178.4-61.199.6000109.2L4 V24 F27 I29 Y51 T52 F79 R98L4-W35 HydrophobicContact CD2-CE3 4.49Å; L4-W35 HydrophobicContact CD2-CZ3 3.85Å; V24-W35 HydrophobicContact CG1-CH2 3.65Å; V24-W35 HydrophobicContact CG1-CZ2 4.36Å; V24-W35 HydrophobicContact CG1-CZ3 4.07Å; V24-W35 HydrophobicContact CG2-CE3 4.28Å; V24-W35 HydrophobicContact CG2-CH2 4.16Å; V24-W35 HydrophobicContact CG2-CZ3 3.99Å; F27-W35 AromaticContact CD1-CH2 3.57Å; F27-W35 HydrophobicContact CD1-CH2 3.57Å; F27-W35 AromaticContact CD1-CZ2 3.55Å; F27-W35 HydrophobicContact CD1-CZ2 3.55Å; F27-W35 HydrophobicContact CE1-CH2 4.2Å; F27-W35 AromaticContact CE1-CZ2 3.91Å; F27-W35 HydrophobicContact CE1-CZ2 3.91Å; F27-W35 HydrophobicContact CG-CH2 4.47Å; I29-W35 VanDerWaalsContact CA-NE1 3.31Å; I29-W35 HydrophobicContact CB-CZ2 4.22Å; I29-W35 HydrophobicContact CG2-CD2 4.28Å; I29-W35 HydrophobicContact CG2-CZ2 3.87Å; I29-W35 PolarHBondContact O-NE1 2.88Å; W35-Y51 CarbonylContact O-C 3.42Å; W35-Y51 WeakPolarHBondContact O-CA 3.49Å; W35-Y51 VanDerWaalsContact O-CB 3.29Å; W35-Y51 WeakPolarHBondContact O-CB 3.41Å; W35-T52 HydrophobicContact CB-CG2 4.12Å; W35-T52 PolarHBondContact N-O 2.97Å; W35-T52 PolarHBondContact O-N 2.69Å; W35-F79 HydrophobicContact CB-CD1 4Å; W35-F79 HydrophobicContact CB-CD2 3.96Å; W35-F79 HydrophobicContact CB-CE1 3.75Å; W35-F79 HydrophobicContact CB-CE2 3.73Å; W35-F79 HydrophobicContact CB-CG 4.08Å; W35-F79 HydrophobicContact CB-CZ 3.57Å; W35-F79 HydrophobicContact CD2-CD1 4.4Å; W35-F79 AromaticContact CD2-CE1 3.96Å; W35-F79 HydrophobicContact CD2-CE1 3.96Å; W35-F79 HydrophobicContact CD2-CZ 4.45Å; W35-F79 AromaticContact CE3-CE1 3.78Å; W35-F79 HydrophobicContact CE3-CE1 3.78Å; W35-F79 HydrophobicContact CE3-CZ 4.17Å; W35-F79 HydrophobicContact CG-CD1 4.13Å; W35-F79 AromaticContact CG-CE1 3.97Å; W35-F79 HydrophobicContact CG-CE1 3.97Å; W35-F79 HydrophobicContact CG-CZ 4.26Å; W35-R98 HydrophobicContact CE3-CB 3.85Å; W35-R98 HydrophobicContact CE3-CG 4Å; W35-R98 HydrophobicContact CH2-CB 4.37Å; W35-R98 HydrophobicContact CH2-CG 4.07Å; W35-R98 HydrophobicContact CZ3-CB 3.59Å; W35-R98 HydrophobicContact CZ3-CG 3.73Å
36I98.1Very high95.6Very high29 Ų2962 Ų6215%0.14936%0.357CS..EExtended strand (participates in β ladder)trans-107.5145.6-166.9-63.1160.9000110.1Y34 I38 Y48 C96 A97Y34-I36 HydrophobicContact CD2-CD1 3.61Å; Y34-I36 HydrophobicContact CD2-CG1 3.76Å; Y34-I36 HydrophobicContact CE2-CD1 3.46Å; Y34-I36 VanDerWaalsContact CE2-CD1 3.46Å; Y34-I36 HydrophobicContact CE2-CG1 4.15Å; I36-I38 HydrophobicContact CG2-CG2 3.71Å; I36-Y48 HydrophobicContact CG1-CE2 4.45Å; I36-Y48 HydrophobicContact CG2-CD2 3.74Å; I36-Y48 HydrophobicContact CG2-CE2 3.7Å; I36-C96 CarbonylContact O-C 3.56Å; I36-C96 VanDerWaalsContact O-CA 3.32Å; I36-C96 WeakPolarHBondContact O-CA 2.88Å; I36-A97 HydrophobicContact CB-CB 4.24Å; I36-A97 PolarHBondContact N-O 3.37Å; I36-A97 PolarHBondContact O-N 3.17Å
37W98.7Very high95.7Very high0 Ų061.1 Ų61.10%034%0.336CS..EExtended strand (participates in β ladder)trans-107.7131.4159.4-74.8100.5000110.5E6 L20 C22 I49 G50 F79 L81 C96E6-W37 HydrophobicContact CG-CH2 4.41Å; E6-W37 HydrophobicContact CG-CZ3 4.13Å; L20-W37 HydrophobicContact CB-CH2 3.77Å; L20-W37 HydrophobicContact CB-CZ2 4.32Å; L20-W37 HydrophobicContact CB-CZ3 4.12Å; L20-W37 HydrophobicContact CD1-CZ3 4.09Å; C22-W37 HydrophobicContact CB-CH2 3.83Å; C22-W37 HydrophobicContact CB-CZ2 3.72Å; W37-I49 HydrophobicContact CB-CB 4.14Å; W37-I49 HydrophobicContact CB-CD1 4.36Å; W37-I49 WeakPolarHBondContact O-CB 3.33Å; W37-I49 PolarHBondContact O-N 2.89Å; W37-G50 PolarHBondContact N-O 2.95Å; W37-F79 AromaticContact CD1-CD2 3.97Å; W37-F79 AromaticContact CD1-CE2 3.84Å; W37-F79 HydrophobicContact CD2-CE2 4.39Å; W37-F79 AromaticContact CE2-CD2 3.92Å; W37-F79 AromaticContact CE2-CE2 3.73Å; W37-F79 HydrophobicContact CG-CE2 4.46Å; W37-F79 HydrophobicContact CZ2-CD2 4.3Å; W37-F79 HydrophobicContact CZ2-CE2 4.19Å; W37-F79 AromaticContact NE1-CD2 3.26Å; W37-F79 VanDerWaalsContact NE1-CD2 3.26Å; W37-F79 AromaticContact NE1-CE2 3.36Å; W37-L81 HydrophobicContact CB-CD2 4.23Å; W37-L81 HydrophobicContact CD2-CB 3.75Å; W37-L81 HydrophobicContact CD2-CD2 4.14Å; W37-L81 HydrophobicContact CE3-CB 4.41Å; W37-L81 HydrophobicContact CE3-CD2 4.29Å; W37-L81 HydrophobicContact CG-CB 3.9Å; W37-L81 HydrophobicContact CG-CD1 4.42Å; W37-L81 HydrophobicContact CG-CD2 4.12Å; W37-L81 HydrophobicContact CG-CG 4.38Å; W37-L81 HydrophobicContact CZ2-CB 4.12Å; W37-C96 HydrophobicContact CD2-CB 4.46Å; W37-C96 HydrophobicContact CE3-CB 4.2Å; W37-C96 HydrophobicContact CH2-CB 4.12Å; W37-C96 HydrophobicContact CZ2-CB 4.37Å; W37-C96 HydrophobicContact CZ3-CB 4.02Å
38I98.4Very high95.9Very high43 Ų4362 Ų6222%0.22134%0.338CS..EExtended strand (participates in β ladder)trans-127.9154.2172.458.5179.3000109.4I36 E47 Y94 Y95I36-I38 HydrophobicContact CG2-CG2 3.71Å; I38-E47 WeakPolarHBondContact CA-O 3.3Å; I38-Y94 WeakPolarHBondContact O-CA 3.14Å; I38-Y95 HydrophobicContact CG1-CD2 4.48Å; I38-Y95 PolarHBondContact N-O 2.8Å; I38-Y95 PolarHBondContact O-N 3.13Å
39R97.7Very high96.1Very high13 Ų1359.5 Ų59.55%0.04932%0.321CS..EExtended strand (participates in β ladder)trans-124.3145168.661.4-176.5-179178.18.9111.8F41 L46 E47 I49 D90 A92 T93 Y94R39-F41 HydrophobicContact CG-CE2 4.25Å; R39-F41 HydrophobicContact CG-CZ 4.18Å; R39-F41 VanDerWaalsContact NE-CZ 3.35Å; R39-L46 CarbonylContact O-C 3.59Å; R39-L46 WeakPolarHBondContact O-CA 3.43Å; R39-E47 HydrophobicContact CG-CB 4.1Å; R39-E47 IonicContact CZ-OE2 3.89Å; R39-E47 PolarHBondContact N-O 2.98Å; R39-E47 IonicContact NE-OE2 3.74Å; R39-E47 PolarHBondContact NE-OE2 2.81Å; R39-E47 IonicContact NH2-OE2 3.05Å; R39-E47 PolarHBondContact NH2-OE2 2.85Å; R39-E47 PolarHBondContact O-N 3.09Å; R39-I49 HydrophobicContact CB-CD1 3.96Å; R39-I49 HydrophobicContact CG-CD1 3.98Å; R39-I49 HydrophobicContact CG-CG1 4.1Å; R39-D90 IonicContact CZ-OD1 2.67Å; R39-D90 IonicContact NH1-OD1 3.25Å; R39-D90 PolarHBondContact NH1-OD1 3.01Å; R39-D90 IonicContact NH2-OD1 2.69Å; R39-A92 HydrophobicContact CB-CB 3.79Å; R39-A92 HydrophobicContact CG-CB 4.3Å; R39-T93 CarbonylContact C-O 3.51Å; R39-T93 VanDerWaalsContact CA-O 3.29Å; R39-T93 WeakPolarHBondContact CA-O 2.89Å; R39-Y94 HydrophobicContact CB-CD1 3.94Å; R39-Y94 HydrophobicContact CB-CE1 3.93Å; R39-Y94 HydrophobicContact CB-CG 4.27Å; R39-Y94 HydrophobicContact CG-CE1 4.49Å; R39-Y94 PolarHBondContact NH1-OH 2.88Å
40Q98.3Very high96.2Very high47 Ų4759.4 Ų59.422%0.2232%0.321CS..EExtended strand (participates in β ladder)trans-115.9116.9178.2-171.7179.733.300109.7N44 K45 L46 A92 T93 Y95Q40-N44 PolarHBondContact NE2-OD1 3.05Å; Q40-K45 WeakPolarHBondContact CA-O 3.48Å; Q40-L46 HydrophobicContact CB-CD2 3.68Å; Q40-L46 HydrophobicContact CG-CD2 3.76Å; Q40-A92 WeakPolarHBondContact O-CA 3.19Å; Q40-A92 WeakPolarHBondContact O-CB 3.4Å; Q40-T93 PolarHBondContact N-O 2.67Å; Q40-T93 PolarHBondContact O-N 2.93Å; Q40-Y95 HydrophobicContact CB-CD2 4.35Å; Q40-Y95 HydrophobicContact CB-CE2 3.74Å; Q40-Y95 PolarHBondContact OE1-OH 3.44Å; Q40-Y95 VanDerWaalsContact OE1-OH 3.12Å
41F97.2Very high96.4Very high36 Ų3658 Ų5816%0.15831%0.309CS..  trans-79.5158.4176.8-64.1-76000111.9R39 G43 N44 K45 E47 E89 A92R39-F41 HydrophobicContact CG-CE2 4.25Å; R39-F41 HydrophobicContact CG-CZ 4.18Å; R39-F41 VanDerWaalsContact NE-CZ 3.35Å; F41-G43 PolarHBondContact O-N 2.93Å; F41-N44 PolarHBondContact O-N 3.47Å; F41-K45 HydrophobicContact CB-CB 4.36Å; F41-K45 HydrophobicContact CD2-CB 4.3Å; F41-K45 HydrophobicContact CD2-CD 4.28Å; F41-K45 HydrophobicContact CD2-CG 4.27Å; F41-K45 WeakPolarHBondContact CD2-O 3.43Å; F41-K45 PolarHBondContact N-O 2.86Å; F41-E47 HydrophobicContact CE2-CB 3.84Å; F41-E47 WeakPolarHBondContact CE2-OE2 3.43Å; F41-E47 WeakPolarHBondContact CZ-OE2 3.32Å; F41-E89 VanDerWaalsContact CE1-O 3.25Å; F41-E89 WeakPolarHBondContact CE1-O 3.39Å; F41-A92 HydrophobicContact CD1-CB 3.94Å; F41-A92 HydrophobicContact CE1-CB 4.08Å
42P94.1Very high96.6Very high113 Ų11356 Ų5673%0.73430%0.295SS*.THydrogen-bonded Turntrans-49.4127.2163-24.834.6000110.2
43G94.5Very high96.8Very high75 Ų7553.1 Ų53.177%0.77328%0.277SS*.THydrogen-bonded Turntrans95.112.8-172.100000115.3F41 K45F41-G43 PolarHBondContact O-N 2.93Å; G43-K45 VanDerWaalsContact C-N 3.26Å; G43-K45 PolarHBondContact O-N 3.28Å
44N88.9Confident96.9Very high125 Ų12556 Ų5667%0.66828%0.284SS*.SBendtrans66.614.1172.5-61.1-39.5000116.2Q40 F41 L46Q40-N44 PolarHBondContact NE2-OD1 3.05Å; F41-N44 PolarHBondContact O-N 3.47Å; N44-L46 PolarHBondContact O-N 2.78Å
45K96Very high96.8Very high138 Ų13853.4 Ų53.460%0.628%0.283SS*.  trans-70.4123.5170.7-178.6-176.1174.7-170.90109.5Q40 F41 G43Q40-K45 WeakPolarHBondContact CA-O 3.48Å; F41-K45 HydrophobicContact CB-CB 4.36Å; F41-K45 HydrophobicContact CD2-CB 4.3Å; F41-K45 HydrophobicContact CD2-CD 4.28Å; F41-K45 HydrophobicContact CD2-CG 4.27Å; F41-K45 WeakPolarHBondContact CD2-O 3.43Å; F41-K45 PolarHBondContact N-O 2.86Å; G43-K45 VanDerWaalsContact C-N 3.26Å; G43-K45 PolarHBondContact O-N 3.28Å
46L97.5Very high96.6Very high107 Ų10755.4 Ų55.456%0.5630%0.303SS*.EExtended strand (participates in β ladder)trans-94.4143.4173.4-65173.7000110.7R39 Q40 N44R39-L46 CarbonylContact O-C 3.59Å; R39-L46 WeakPolarHBondContact O-CA 3.43Å; Q40-L46 HydrophobicContact CB-CD2 3.68Å; Q40-L46 HydrophobicContact CG-CD2 3.76Å; N44-L46 PolarHBondContact O-N 2.78Å
47E98Very high96.6Very high42 Ų4258.1 Ų58.120%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-135.4128.6171-178.6174.4-132.700110.2I38 R39 F41I38-E47 WeakPolarHBondContact CA-O 3.3Å; R39-E47 HydrophobicContact CG-CB 4.1Å; R39-E47 IonicContact CZ-OE2 3.89Å; R39-E47 PolarHBondContact N-O 2.98Å; R39-E47 IonicContact NE-OE2 3.74Å; R39-E47 PolarHBondContact NE-OE2 2.81Å; R39-E47 IonicContact NH2-OE2 3.05Å; R39-E47 PolarHBondContact NH2-OE2 2.85Å; R39-E47 PolarHBondContact O-N 3.09Å; F41-E47 HydrophobicContact CE2-CB 3.84Å; F41-E47 WeakPolarHBondContact CE2-OE2 3.43Å; F41-E47 WeakPolarHBondContact CZ-OE2 3.32Å
48Y98.2Very high96.5Very high79 Ų7960.3 Ų60.331%0.3133%0.331SS..EExtended strand (participates in β ladder)trans-72.5132.6171.1169.7-94.5000110I36 G50 Y51 Y59 N61I36-Y48 HydrophobicContact CG1-CE2 4.45Å; I36-Y48 HydrophobicContact CG2-CD2 3.74Å; I36-Y48 HydrophobicContact CG2-CE2 3.7Å; Y48-G50 VanDerWaalsContact CZ-C 3.46Å; Y48-G50 WeakPolarHBondContact OH-CA 3.3Å; Y48-Y51 HydrophobicContact CE2-CD1 4.34Å; Y48-Y51 AromaticContact CZ-CD1 3.99Å; Y48-Y51 WeakPolarHBondContact OH-CD1 3.32Å; Y48-Y51 PolarHBondContact OH-N 2.73Å; Y48-Y59 PolarHBondContact OH-O 2.9Å; Y48-N61 HydrophobicContact CD1-CB 4.2Å; Y48-N61 VanDerWaalsContact O-CB 3.25Å; Y48-N61 WeakPolarHBondContact O-CB 3.34Å; Y48-N61 PolarHBondContact O-ND2 3.25Å
49I98.5Very high96.5Very high2 Ų264.6 Ų64.61%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-100.6-48.1179.9-61.7173.4000110.7W37 R39 N61 L64 T68 L81 Y94W37-I49 HydrophobicContact CB-CB 4.14Å; W37-I49 HydrophobicContact CB-CD1 4.36Å; W37-I49 WeakPolarHBondContact O-CB 3.33Å; W37-I49 PolarHBondContact O-N 2.89Å; R39-I49 HydrophobicContact CB-CD1 3.96Å; R39-I49 HydrophobicContact CG-CD1 3.98Å; R39-I49 HydrophobicContact CG-CG1 4.1Å; I49-N61 WeakPolarHBondContact O-CB 3.27Å; I49-N61 PolarHBondContact O-N 3.46Å; I49-L64 HydrophobicContact CB-CD1 4.42Å; I49-L64 HydrophobicContact CG1-CD1 4.1Å; I49-L64 HydrophobicContact CG2-CD1 4.27Å; I49-T68 HydrophobicContact CG2-CG2 3.78Å; I49-L81 HydrophobicContact CD1-CD2 3.86Å; I49-L81 HydrophobicContact CG2-CD1 3.83Å; I49-L81 HydrophobicContact CG2-CD2 4.37Å; I49-Y94 HydrophobicContact CD1-CD1 3.57Å; I49-Y94 HydrophobicContact CD1-CE1 3.55Å
50G98.5Very high96.6Very high0 Ų065.9 Ų65.90%035%0.35CS..EExtended strand (participates in β ladder)trans169.9170.4-173.400000112.1W37 Y48 Y59 I70W37-G50 PolarHBondContact N-O 2.95Å; Y48-G50 VanDerWaalsContact CZ-C 3.46Å; Y48-G50 WeakPolarHBondContact OH-CA 3.3Å; G50-Y59 CarbonylContact C-O 3.47Å; G50-Y59 WeakPolarHBondContact CA-O 3.16Å; G50-I70 VanDerWaalsContact C-CD1 3.42Å
51Y98.3Very high96.5Very high62 Ų6264.9 Ų64.924%0.24335%0.347CS..EExtended strand (participates in β ladder)trans-137.3162.1171.774-112.8000111.5W35 Y48 F53 T58 Y59W35-Y51 CarbonylContact O-C 3.42Å; W35-Y51 WeakPolarHBondContact O-CA 3.49Å; W35-Y51 VanDerWaalsContact O-CB 3.29Å; W35-Y51 WeakPolarHBondContact O-CB 3.41Å; Y48-Y51 HydrophobicContact CE2-CD1 4.34Å; Y48-Y51 AromaticContact CZ-CD1 3.99Å; Y48-Y51 WeakPolarHBondContact OH-CD1 3.32Å; Y48-Y51 PolarHBondContact OH-N 2.73Å; Y51-F53 HydrophobicContact CE2-CB 4.32Å; Y51-T58 VanDerWaalsContact O-CA 3.27Å; Y51-T58 WeakPolarHBondContact O-CA 3.45Å; Y51-Y59 AromaticContact CE1-CD2 3.98Å; Y51-Y59 HydrophobicContact CE1-CD2 3.98Å; Y51-Y59 HydrophobicContact CE1-CG 4.11Å; Y51-Y59 AromaticContact CE2-CD2 3.53Å; Y51-Y59 HydrophobicContact CE2-CD2 3.53Å; Y51-Y59 HydrophobicContact CE2-CE2 4.29Å; Y51-Y59 HydrophobicContact CE2-CG 4.36Å; Y51-Y59 AromaticContact CZ-CD2 3.18Å; Y51-Y59 AromaticContact CZ-CE2 3.91Å; Y51-Y59 AromaticContact CZ-CG 3.78Å; Y51-Y59 PolarHBondContact N-O 2.86Å; Y51-Y59 PolarHBondContact O-N 2.67Å; Y51-Y59 WeakPolarHBondContact OH-CD2 3.12Å; Y51-Y59 WeakPolarHBondContact OH-CE2 3.32Å
52T98Very high96.6Very high3 Ų368.3 Ų68.32%0.01837%0.372CS..EExtended strand (participates in β ladder)trans-124135.9165.1-175.80000110Y34 W35 I57 I70 R72 F79Y34-T52 CarbonylContact C-O 3.56Å; Y34-T52 WeakPolarHBondContact CA-O 3.41Å; W35-T52 HydrophobicContact CB-CG2 4.12Å; W35-T52 PolarHBondContact N-O 2.97Å; W35-T52 PolarHBondContact O-N 2.69Å; T52-I57 CarbonylContact C-O 3.6Å; T52-I57 WeakPolarHBondContact CA-O 3.28Å; T52-I70 HydrophobicContact CG2-CG2 3.62Å; T52-R72 HydrophobicContact CG2-CG 3.58Å; T52-R72 WeakPolarHBondContact OG1-CD 3.47Å; T52-F79 HydrophobicContact CG2-CB 4.29Å; T52-F79 HydrophobicContact CG2-CD2 4.43Å
53F96.7Very high96.7Very high52 Ų5267.4 Ų67.423%0.22837%0.368CS..EExtended strand (participates in β ladder)trans-96162.4178.1-164.1-134.6000111D32 C33 Y51 S55 G56 I57 R72D32-F53 WeakPolarHBondContact OD1-CZ 3.44Å; C33-F53 VanDerWaalsContact C-CD2 3.44Å; C33-F53 WeakPolarHBondContact O-CD2 3.4Å; Y51-F53 HydrophobicContact CE2-CB 4.32Å; F53-S55 WeakPolarHBondContact CD1-OG 3.21Å; F53-S55 PolarHBondContact O-N 2.88Å; F53-S55 VanDerWaalsContact O-N 3.13Å; F53-G56 PolarHBondContact O-N 2.94Å; F53-I57 HydrophobicContact CB-CB 4.32Å; F53-I57 PolarHBondContact N-O 2.86Å; F53-R72 PolarHBondContact O-NH1 3.05Å
54Y95.1Very high96.8Very high93 Ų9364 Ų6437%0.36533%0.333SS..THydrogen-bonded Turntrans-57.9-27.7179.989.6-84.8000113.6S31 D32 C33 G56 R72S31-Y54 WeakPolarHBondContact O-CB 3.29Å; D32-Y54 HydrophobicContact CB-CD1 4.17Å; D32-Y54 HydrophobicContact CB-CE1 4.2Å; D32-Y54 WeakPolarHBondContact OD1-CD1 3.49Å; D32-Y54 WeakPolarHBondContact OD1-CE1 3.27Å; C33-Y54 PolarHBondContact O-N 3.33Å; C33-Y54 VanDerWaalsContact O-N 3.17Å; Y54-G56 PolarHBondContact O-N 2.82Å; Y54-R72 PolarHBondContact O-NH1 3.09Å; Y54-R72 PolarHBondContact O-NH2 2.03Å
55S94.6Very high97.3Very high62 Ų6263.4 Ų63.443%0.43433%0.326SS..THydrogen-bonded Turntrans-76.5-5.8175.964.20000113.7F53 I57F53-S55 WeakPolarHBondContact CD1-OG 3.21Å; F53-S55 PolarHBondContact O-N 2.88Å; F53-S55 VanDerWaalsContact O-N 3.13Å; S55-I57 VanDerWaalsContact C-N 3.34Å; S55-I57 WeakPolarHBondContact OG-CD1 3.41Å; S55-I57 WeakPolarHBondContact OG-CG1 3.28Å
56G94Very high97.3Very high42 Ų4262.1 Ų62.143%0.43333%0.334SS..SBendtrans90-4.5-175.100000113.9F53 Y54 T58F53-G56 PolarHBondContact O-N 2.94Å; Y54-G56 PolarHBondContact O-N 2.82Å; G56-T58 PolarHBondContact O-N 2.95Å
57I96.6Very high97.3Very high86 Ų8659.6 Ų59.644%0.44132%0.317SS..  trans-60.5134.8173.2-65.9170.4000109.5T52 F53 S55 Y59T52-I57 CarbonylContact C-O 3.6Å; T52-I57 WeakPolarHBondContact CA-O 3.28Å; F53-I57 HydrophobicContact CB-CB 4.32Å; F53-I57 PolarHBondContact N-O 2.86Å; S55-I57 VanDerWaalsContact C-N 3.34Å; S55-I57 WeakPolarHBondContact OG-CD1 3.41Å; S55-I57 WeakPolarHBondContact OG-CG1 3.28Å; I57-Y59 HydrophobicContact CG2-CD2 3.76Å; I57-Y59 HydrophobicContact CG2-CE2 3.34Å
58T98.1Very high97.4Very high46 Ų4658.1 Ų58.128%0.28231%0.311SS..EExtended strand (participates in β ladder)trans-120.8142.4175.555.30000110.6Y51 G56 Y60 I70Y51-T58 VanDerWaalsContact O-CA 3.27Å; Y51-T58 WeakPolarHBondContact O-CA 3.45Å; G56-T58 PolarHBondContact O-N 2.95Å; T58-Y60 WeakPolarHBondContact CB-OH 3.37Å; T58-Y60 WeakPolarHBondContact OG1-CE2 3.5Å; T58-Y60 PolarHBondContact OG1-OH 2.85Å; T58-I70 HydrophobicContact CG2-CB 4.45Å
59Y98.1Very high97.4Very high133 Ų13361 Ų6152%0.52232%0.323SS..EExtended strand (participates in β ladder)trans-128.2141.5168.9-75.7-93.3000109.5Y48 G50 Y51 I57Y48-Y59 PolarHBondContact OH-O 2.9Å; G50-Y59 CarbonylContact C-O 3.47Å; G50-Y59 WeakPolarHBondContact CA-O 3.16Å; Y51-Y59 AromaticContact CE1-CD2 3.98Å; Y51-Y59 HydrophobicContact CE1-CD2 3.98Å; Y51-Y59 HydrophobicContact CE1-CG 4.11Å; Y51-Y59 AromaticContact CE2-CD2 3.53Å; Y51-Y59 HydrophobicContact CE2-CD2 3.53Å; Y51-Y59 HydrophobicContact CE2-CE2 4.29Å; Y51-Y59 HydrophobicContact CE2-CG 4.36Å; Y51-Y59 AromaticContact CZ-CD2 3.18Å; Y51-Y59 AromaticContact CZ-CE2 3.91Å; Y51-Y59 AromaticContact CZ-CG 3.78Å; Y51-Y59 PolarHBondContact N-O 2.86Å; Y51-Y59 PolarHBondContact O-N 2.67Å; Y51-Y59 WeakPolarHBondContact OH-CD2 3.12Å; Y51-Y59 WeakPolarHBondContact OH-CE2 3.32Å; I57-Y59 HydrophobicContact CG2-CD2 3.76Å; I57-Y59 HydrophobicContact CG2-CE2 3.34Å
60Y98.6Very high97.4Very high40 Ų4061.1 Ų61.116%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-120.8153.7-176.3-56.7-72.9000110.5T58 P62 E65 T68 I70T58-Y60 WeakPolarHBondContact CB-OH 3.37Å; T58-Y60 WeakPolarHBondContact OG1-CE2 3.5Å; T58-Y60 PolarHBondContact OG1-OH 2.85Å; Y60-P62 WeakPolarHBondContact O-CD 3.41Å; Y60-E65 HydrophobicContact CD2-CG 4.11Å; Y60-E65 HydrophobicContact CG-CG 4.35Å; Y60-T68 HydrophobicContact CD1-CG2 3.54Å; Y60-T68 HydrophobicContact CE1-CG2 3.75Å; Y60-I70 HydrophobicContact CD1-CD1 4.16Å; Y60-I70 HydrophobicContact CE1-CB 4.08Å; Y60-I70 HydrophobicContact CE1-CD1 3.85Å; Y60-I70 HydrophobicContact CE1-CG1 3.84Å; Y60-I70 PolarHBondContact OH-N 2.72Å
61N98Very high97.3Very high27 Ų2763.2 Ų63.214%0.14434%0.336CS..  trans-63.4124162.6178-22.4000108.4Y48 I49 S63 L64 E65Y48-N61 HydrophobicContact CD1-CB 4.2Å; Y48-N61 VanDerWaalsContact O-CB 3.25Å; Y48-N61 WeakPolarHBondContact O-CB 3.34Å; Y48-N61 PolarHBondContact O-ND2 3.25Å; I49-N61 WeakPolarHBondContact O-CB 3.27Å; I49-N61 PolarHBondContact O-N 3.46Å; N61-S63 PolarHBondContact O-N 3.25Å; N61-S63 WeakPolarHBondContact OD1-CB 3.45Å; N61-S63 PolarHBondContact OD1-N 2.84Å; N61-L64 PolarHBondContact O-N 3.35Å; N61-E65 PolarHBondContact O-N 2.82Å
62P98.1Very high97.3Very high108 Ų10863 Ų6370%0.70134%0.335SS*.THydrogen-bonded Turntrans-52.9-31.9-178.1-29.135.9000114.2Y60 L64Y60-P62 WeakPolarHBondContact O-CD 3.41Å; P62-L64 PolarHBondContact O-N 3.49Å
63S96.4Very high97.2Very high93 Ų9365.2 Ų65.265%0.6535%0.347SS*.THydrogen-bonded Turntrans-70.7-17.8178.4-59.80000114N61N61-S63 PolarHBondContact O-N 3.25Å; N61-S63 WeakPolarHBondContact OD1-CB 3.45Å; N61-S63 PolarHBondContact OD1-N 2.84Å
64L97.4Very high97.2Very high5 Ų566.6 Ų66.63%0.02636%0.36CS..THydrogen-bonded Turntrans-118.8-10-177.2-61.6175.5000113.3I49 N61 P62 S66 R67 T68I49-L64 HydrophobicContact CB-CD1 4.42Å; I49-L64 HydrophobicContact CG1-CD1 4.1Å; I49-L64 HydrophobicContact CG2-CD1 4.27Å; N61-L64 PolarHBondContact O-N 3.35Å; P62-L64 PolarHBondContact O-N 3.49Å; L64-S66 VanDerWaalsContact C-N 3.32Å; L64-S66 PolarHBondContact O-N 2.8Å; L64-R67 PolarHBondContact O-N 2.88Å; L64-T68 WeakPolarHBondContact CB-OG1 3Å; L64-T68 WeakPolarHBondContact O-CB 2.96Å; L64-T68 PolarHBondContact O-N 2.8Å; L64-T68 PolarHBondContact O-OG1 3.06Å
65E97.8Very high97.2Very high111 Ų11167.1 Ų67.152%0.51938%0.377SS..G310 helixtrans-52.3-45-171.2-178.5170.1-165.500113.1Y60 N61 R67 T68Y60-E65 HydrophobicContact CD2-CG 4.11Å; Y60-E65 HydrophobicContact CG-CG 4.35Å; N61-E65 PolarHBondContact O-N 2.82Å; E65-R67 PolarHBondContact O-N 2.95Å; E65-T68 PolarHBondContact O-N 3.24Å
66S97.7Very high97.4Very high112 Ų11270 Ų7078%0.78338%0.382SS*.G310 helixtrans-64.1-15.5-178.462.50000114.7L64L64-S66 VanDerWaalsContact C-N 3.32Å; L64-S66 PolarHBondContact O-N 2.8Å
67R97.7Very high97.5Very high53 Ų5369.8 Ų69.820%0.237%0.37CS..G310 helixtrans-118.1-5.6-177.9-58.2-172.6-60.7130.6-2.2113.1L64 E65 L83 S84 S85 D90L64-R67 PolarHBondContact O-N 2.88Å; E65-R67 PolarHBondContact O-N 2.95Å; R67-L83 HydrophobicContact CB-CD1 3.94Å; R67-L83 CarbonylContact O-C 3.53Å; R67-L83 WeakPolarHBondContact O-CA 3.37Å; R67-S84 WeakPolarHBondContact CA-OG 2.92Å; R67-S84 WeakPolarHBondContact CD-O 3.01Å; R67-S84 PolarHBondContact NH1-O 3.22Å; R67-S84 PolarHBondContact O-N 2.99Å; R67-S84 PolarHBondContact O-OG 2.75Å; R67-S85 PolarHBondContact NH1-O 2.93Å; R67-S85 VanDerWaalsContact NH1-O 3.16Å; R67-D90 IonicContact CZ-OD1 3.6Å; R67-D90 IonicContact CZ-OD2 3.79Å; R67-D90 IonicContact NH1-OD1 2.78Å; R67-D90 IonicContact NH1-OD2 3.08Å; R67-D90 PolarHBondContact NH1-OD2 3.14Å; R67-D90 IonicContact NH2-OD1 3.47Å; R67-D90 PolarHBondContact NH2-OD1 2.84Å; R67-D90 IonicContact NH2-OD2 2.73Å; R67-D90 PolarHBondContact NH2-OD2 3.17Å
68T98.6Very high97.6Very high12 Ų1267.9 Ų67.97%0.07436%0.36CS..EExtended strand (participates in β ladder)trans-107137-169.4-58.60000111.5I49 Y60 L64 E65 I70 L81 K82 L83I49-T68 HydrophobicContact CG2-CG2 3.78Å; Y60-T68 HydrophobicContact CD1-CG2 3.54Å; Y60-T68 HydrophobicContact CE1-CG2 3.75Å; L64-T68 WeakPolarHBondContact CB-OG1 3Å; L64-T68 WeakPolarHBondContact O-CB 2.96Å; L64-T68 PolarHBondContact O-N 2.8Å; L64-T68 PolarHBondContact O-OG1 3.06Å; E65-T68 PolarHBondContact O-N 3.24Å; T68-I70 HydrophobicContact CG2-CG1 4.34Å; T68-L81 HydrophobicContact CG2-CD1 3.54Å; T68-K82 CarbonylContact C-O 3.59Å; T68-K82 WeakPolarHBondContact CA-O 3.46Å; T68-L83 WeakPolarHBondContact OG1-CD1 3.13Å
69Y98.2Very high97.6Very high139 Ų13965.7 Ų65.755%0.54535%0.346SS..EExtended strand (participates in β ladder)trans-139.1118.8173.5-169.9-117.3000110.3T71 K82Y69-T71 HydrophobicContact CD1-CG2 3.55Å; Y69-T71 HydrophobicContact CE1-CG2 3.04Å; Y69-T71 HydrophobicContact CG-CG2 4.5Å; Y69-K82 PolarHBondContact N-O 3.05Å; Y69-K82 PolarHBondContact O-N 3.27Å
70I98.5Very high97.6Very high5 Ų560.5 Ų60.53%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-107132.4177.5-64.4166.1000109G50 T52 T58 Y60 T68 S80 L81G50-I70 VanDerWaalsContact C-CD1 3.42Å; T52-I70 HydrophobicContact CG2-CG2 3.62Å; T58-I70 HydrophobicContact CG2-CB 4.45Å; Y60-I70 HydrophobicContact CD1-CD1 4.16Å; Y60-I70 HydrophobicContact CE1-CB 4.08Å; Y60-I70 HydrophobicContact CE1-CD1 3.85Å; Y60-I70 HydrophobicContact CE1-CG1 3.84Å; Y60-I70 PolarHBondContact OH-N 2.72Å; T68-I70 HydrophobicContact CG2-CG1 4.34Å; I70-S80 CarbonylContact C-O 3.58Å; I70-S80 VanDerWaalsContact CA-O 3.28Å; I70-S80 WeakPolarHBondContact CA-O 3.27Å; I70-L81 HydrophobicContact CD1-CD1 4.46Å; I70-L81 HydrophobicContact CG1-CD1 3.84Å
71T97.4Very high97.7Very high44 Ų4458.6 Ų58.627%0.2732%0.322SS..EExtended strand (participates in β ladder)trans-132.9161.7-178.550.40000111.9Y69 F79 S80Y69-T71 HydrophobicContact CD1-CG2 3.55Å; Y69-T71 HydrophobicContact CE1-CG2 3.04Å; Y69-T71 HydrophobicContact CG-CG2 4.5Å; T71-F79 CarbonylContact O-C 3.57Å; T71-F79 WeakPolarHBondContact O-CA 3.09Å; T71-F79 WeakPolarHBondContact O-CB 3.4Å; T71-S80 PolarHBondContact N-O 3.35Å; T71-S80 PolarHBondContact O-N 3.24Å
72R97.2Very high97.7Very high56 Ų5662 Ų6221%0.21134%0.335CS..EExtended strand (participates in β ladder)trans-125.6136.1178.1-68.6171.356.8-140.1-2.3110.2I29 N30 T52 F53 Y54 F79I29-R72 HydrophobicContact CD1-CB 4.21Å; I29-R72 HydrophobicContact CD1-CG 4.43Å; I29-R72 PolarHBondContact O-NH2 3.06Å; N30-R72 PolarHBondContact OD1-NH2 3.15Å; N30-R72 VanDerWaalsContact OD1-NH2 3.17Å; T52-R72 HydrophobicContact CG2-CG 3.58Å; T52-R72 WeakPolarHBondContact OG1-CD 3.47Å; F53-R72 PolarHBondContact O-NH1 3.05Å; Y54-R72 PolarHBondContact O-NH1 3.09Å; Y54-R72 PolarHBondContact O-NH2 2.03Å; R72-F79 HydrophobicContact CG-CB 4.01Å
73D96.9Very high97.7Very high51 Ų5157 Ų5727%0.27330%0.302SS..EExtended strand (participates in β ladder)trans-116.790.2167-174.4-16.7000107.5S75 K76 N77 Q78D73-S75 PolarHBondContact O-N 2.85Å; D73-S75 WeakPolarHBondContact OD1-CB 3.46Å; D73-S75 PolarHBondContact OD1-N 2.73Å; D73-S75 PolarHBondContact OD1-OG 2.89Å; D73-K76 PolarHBondContact O-N 2.87Å; D73-K76 PolarHBondContact OD1-N 3.34Å; D73-K76 WeakPolarHBondContact OD2-CD 3.38Å; D73-K76 VanDerWaalsContact OD2-CE 3.27Å; D73-K76 WeakPolarHBondContact OD2-CE 3.25Å; D73-K76 IonicContact OD2-NZ 3.7Å; D73-K76 PolarHBondContact OD2-NZ 2.86Å; D73-N77 PolarHBondContact O-N 3Å; D73-N77 VanDerWaalsContact O-N 3.08Å; D73-Q78 CarbonylContact C-O 3.59Å; D73-Q78 HydrophobicContact CB-CB 4.49Å; D73-Q78 PolarHBondContact N-O 3.41Å; D73-Q78 PolarHBondContact O-N 3.38Å
74T95.7Very high97.8Very high81 Ų8154.4 Ų54.450%0.49728%0.284SS..THydrogen-bonded Turntrans-66.8-24.7-178.352.60000112.5I29 K76 N77I29-T74 HydrophobicContact CD1-CG2 4.2Å; I29-T74 HydrophobicContact CG1-CG2 4.24Å; T74-K76 PolarHBondContact O-N 2.88Å; T74-N77 PolarHBondContact O-N 3.32Å
75S96.6Very high97.8Very high103 Ų10357.3 Ų57.372%0.7231%0.305SS*.THydrogen-bonded Turntrans-68.4-26.917777.80000112.6D73D73-S75 PolarHBondContact O-N 2.85Å; D73-S75 WeakPolarHBondContact OD1-CB 3.46Å; D73-S75 PolarHBondContact OD1-N 2.73Å; D73-S75 PolarHBondContact OD1-OG 2.89Å
76K97.8Very high97.8Very high124 Ų12452.6 Ų52.654%0.53928%0.284SS..THydrogen-bonded Turntrans-107.32177.7-60.9-177.8-166.3154.20113.7D73 T74 Q78D73-K76 PolarHBondContact O-N 2.87Å; D73-K76 PolarHBondContact OD1-N 3.34Å; D73-K76 WeakPolarHBondContact OD2-CD 3.38Å; D73-K76 VanDerWaalsContact OD2-CE 3.27Å; D73-K76 WeakPolarHBondContact OD2-CE 3.25Å; D73-K76 IonicContact OD2-NZ 3.7Å; D73-K76 PolarHBondContact OD2-NZ 2.86Å; T74-K76 PolarHBondContact O-N 2.88Å; K76-Q78 HydrophobicContact CB-CB 4.27Å; K76-Q78 HydrophobicContact CB-CG 4.14Å; K76-Q78 PolarHBondContact O-N 2.98Å
77N97.3Very high97.7Very high37 Ų3750.2 Ų50.220%0.19827%0.265CS..THydrogen-bonded Turntrans53.742.9-174.1-155.338.6000112.8V24 F27 S28 I29 D73 T74V24-N77 PolarHBondContact N-O 2.6Å; V24-N77 PolarHBondContact O-ND2 3.12Å; F27-N77 PolarHBondContact O-ND2 3.31Å; S28-N77 WeakPolarHBondContact CA-OD1 3.49Å; I29-N77 PolarHBondContact N-OD1 3.19Å; D73-N77 PolarHBondContact O-N 3Å; D73-N77 VanDerWaalsContact O-N 3.08Å; T74-N77 PolarHBondContact O-N 3.32Å
78Q98.4Very high97.6Very high46 Ų4653 Ų5322%0.21529%0.288CS..EExtended strand (participates in β ladder)trans-125149.1-174.4-79.9170.1-0.600111.8T21 C22 T23 I29 D73 K76T21-Q78 HydrophobicContact CG2-CB 3.99Å; T21-Q78 HydrophobicContact CG2-CG 3.87Å; C22-Q78 VanDerWaalsContact O-CA 3.28Å; C22-Q78 WeakPolarHBondContact O-CA 3.47Å; T23-Q78 HydrophobicContact CG2-CG 4.19Å; T23-Q78 PolarHBondContact OG1-NE2 3.34Å; I29-Q78 WeakPolarHBondContact CD1-O 3.19Å; D73-Q78 CarbonylContact C-O 3.59Å; D73-Q78 HydrophobicContact CB-CB 4.49Å; D73-Q78 PolarHBondContact N-O 3.41Å; D73-Q78 PolarHBondContact O-N 3.38Å; K76-Q78 HydrophobicContact CB-CB 4.27Å; K76-Q78 HydrophobicContact CB-CG 4.14Å; K76-Q78 PolarHBondContact O-N 2.98Å
79F98Very high97.5Very high0 Ų059.7 Ų59.70%032%0.318CS..EExtended strand (participates in β ladder)trans-131.8150.9165.166.6-79.1000109.6C22 V24 I29 W35 W37 T52 T71 R72 C96C22-F79 HydrophobicContact CB-CD1 3.96Å; C22-F79 HydrophobicContact CB-CD2 4.42Å; C22-F79 HydrophobicContact CB-CE1 3.57Å; C22-F79 HydrophobicContact CB-CE2 4.06Å; C22-F79 HydrophobicContact CB-CG 4.38Å; C22-F79 HydrophobicContact CB-CZ 3.65Å; C22-F79 PolarHBondContact N-O 3.08Å; C22-F79 PolarHBondContact O-N 3Å; C22-F79 VanDerWaalsContact O-N 3.09Å; C22-F79 WeakPolarHBondContact SG-CE1 3.33Å; V24-F79 HydrophobicContact CG2-CD1 4.1Å; V24-F79 HydrophobicContact CG2-CE1 3.82Å; I29-F79 HydrophobicContact CG2-CD1 4.38Å; W35-F79 HydrophobicContact CB-CD1 4Å; W35-F79 HydrophobicContact CB-CD2 3.96Å; W35-F79 HydrophobicContact CB-CE1 3.75Å; W35-F79 HydrophobicContact CB-CE2 3.73Å; W35-F79 HydrophobicContact CB-CG 4.08Å; W35-F79 HydrophobicContact CB-CZ 3.57Å; W35-F79 HydrophobicContact CD2-CD1 4.4Å; W35-F79 AromaticContact CD2-CE1 3.96Å; W35-F79 HydrophobicContact CD2-CE1 3.96Å; W35-F79 HydrophobicContact CD2-CZ 4.45Å; W35-F79 AromaticContact CE3-CE1 3.78Å; W35-F79 HydrophobicContact CE3-CE1 3.78Å; W35-F79 HydrophobicContact CE3-CZ 4.17Å; W35-F79 HydrophobicContact CG-CD1 4.13Å; W35-F79 AromaticContact CG-CE1 3.97Å; W35-F79 HydrophobicContact CG-CE1 3.97Å; W35-F79 HydrophobicContact CG-CZ 4.26Å; W37-F79 AromaticContact CD1-CD2 3.97Å; W37-F79 AromaticContact CD1-CE2 3.84Å; W37-F79 HydrophobicContact CD2-CE2 4.39Å; W37-F79 AromaticContact CE2-CD2 3.92Å; W37-F79 AromaticContact CE2-CE2 3.73Å; W37-F79 HydrophobicContact CG-CE2 4.46Å; W37-F79 HydrophobicContact CZ2-CD2 4.3Å; W37-F79 HydrophobicContact CZ2-CE2 4.19Å; W37-F79 AromaticContact NE1-CD2 3.26Å; W37-F79 VanDerWaalsContact NE1-CD2 3.26Å; W37-F79 AromaticContact NE1-CE2 3.36Å; T52-F79 HydrophobicContact CG2-CB 4.29Å; T52-F79 HydrophobicContact CG2-CD2 4.43Å; T71-F79 CarbonylContact O-C 3.57Å; T71-F79 WeakPolarHBondContact O-CA 3.09Å; T71-F79 WeakPolarHBondContact O-CB 3.4Å; R72-F79 HydrophobicContact CG-CB 4.01Å; F79-C96 HydrophobicContact CE1-CB 4.39Å; F79-C96 HydrophobicContact CE2-CB 3.96Å; F79-C96 HydrophobicContact CZ-CB 3.51Å
80S98.4Very high97.4Very high23 Ų2353.5 Ų53.516%0.16130%0.295CS..EExtended strand (participates in β ladder)trans-132.5149.6-168.9-64.40000111.6L20 T21 I70 T71L20-S80 CarbonylContact O-C 3.58Å; L20-S80 WeakPolarHBondContact O-CA 3.45Å; L20-S80 WeakPolarHBondContact O-CB 3.44Å; L20-S80 PolarHBondContact O-OG 2.78Å; T21-S80 PolarHBondContact OG1-OG 3.16Å; I70-S80 CarbonylContact C-O 3.58Å; I70-S80 VanDerWaalsContact CA-O 3.28Å; I70-S80 WeakPolarHBondContact CA-O 3.27Å; T71-S80 PolarHBondContact N-O 3.35Å; T71-S80 PolarHBondContact O-N 3.24Å
81L98.7Very high97.3Very high0 Ų057.8 Ų57.80%032%0.321CS..EExtended strand (participates in β ladder)trans-112.4129.9173.1174.668.8000108.6S19 L20 W37 I49 T68 I70 Y94S19-L81 WeakPolarHBondContact CA-O 3.45Å; L20-L81 HydrophobicContact CB-CB 4.39Å; L20-L81 HydrophobicContact CD1-CD2 4.3Å; L20-L81 PolarHBondContact N-O 3.18Å; L20-L81 PolarHBondContact O-N 3.23Å; W37-L81 HydrophobicContact CB-CD2 4.23Å; W37-L81 HydrophobicContact CD2-CB 3.75Å; W37-L81 HydrophobicContact CD2-CD2 4.14Å; W37-L81 HydrophobicContact CE3-CB 4.41Å; W37-L81 HydrophobicContact CE3-CD2 4.29Å; W37-L81 HydrophobicContact CG-CB 3.9Å; W37-L81 HydrophobicContact CG-CD1 4.42Å; W37-L81 HydrophobicContact CG-CD2 4.12Å; W37-L81 HydrophobicContact CG-CG 4.38Å; W37-L81 HydrophobicContact CZ2-CB 4.12Å; I49-L81 HydrophobicContact CD1-CD2 3.86Å; I49-L81 HydrophobicContact CG2-CD1 3.83Å; I49-L81 HydrophobicContact CG2-CD2 4.37Å; T68-L81 HydrophobicContact CG2-CD1 3.54Å; I70-L81 HydrophobicContact CD1-CD1 4.46Å; I70-L81 HydrophobicContact CG1-CD1 3.84Å; L81-Y94 HydrophobicContact CD2-CD1 3.87Å; L81-Y94 HydrophobicContact CD2-CE1 4.16Å
82K98.6Very high97.3Very high100 Ų10056.8 Ų56.844%0.43532%0.318SS..EExtended strand (participates in β ladder)trans-113.7128.9161.6-66.2-175.9178.7179.30109.2T17 L18 T68 Y69T17-K82 HydrophobicContact CG2-CB 4.08Å; L18-K82 CarbonylContact O-C 3.57Å; L18-K82 VanDerWaalsContact O-CA 3.27Å; L18-K82 WeakPolarHBondContact O-CA 3.5Å; T68-K82 CarbonylContact C-O 3.59Å; T68-K82 WeakPolarHBondContact CA-O 3.46Å; Y69-K82 PolarHBondContact N-O 3.05Å; Y69-K82 PolarHBondContact O-N 3.27Å
83L98.5Very high97.3Very high1 Ų157.7 Ų57.71%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-120.7110.7172.4-177.165.9000108T17 L18 R67 T68 V86 D90T17-L83 CarbonylContact C-O 3.48Å; T17-L83 VanDerWaalsContact CA-O 3.32Å; T17-L83 WeakPolarHBondContact CA-O 3.42Å; L18-L83 HydrophobicContact CB-CB 4.35Å; L18-L83 PolarHBondContact N-O 2.84Å; L18-L83 PolarHBondContact O-N 3.11Å; R67-L83 HydrophobicContact CB-CD1 3.94Å; R67-L83 CarbonylContact O-C 3.53Å; R67-L83 WeakPolarHBondContact O-CA 3.37Å; T68-L83 WeakPolarHBondContact OG1-CD1 3.13Å; L83-V86 HydrophobicContact CB-CG1 4.45Å; L83-V86 HydrophobicContact CD2-CG1 4.32Å; L83-V86 HydrophobicContact CG-CG1 4.19Å; L83-V86 VanDerWaalsContact O-CG1 3.3Å; L83-V86 WeakPolarHBondContact O-CG1 3.29Å; L83-D90 HydrophobicContact CD2-CB 4.07Å
84S98.2Very high97.4Very high39 Ų3956.4 Ų56.427%0.27332%0.321SS..  trans-85.5161.9-177.766.70000112.1R67 V86R67-S84 WeakPolarHBondContact CA-OG 2.92Å; R67-S84 WeakPolarHBondContact CD-O 3.01Å; R67-S84 PolarHBondContact NH1-O 3.22Å; R67-S84 PolarHBondContact O-N 2.99Å; R67-S84 PolarHBondContact O-OG 2.75Å; S84-V86 VanDerWaalsContact C-N 3.28Å; S84-V86 PolarHBondContact O-N 2.95Å
85S97.5Very high97.5Very high66 Ų6656.5 Ų56.546%0.46231%0.313SS..SBendtrans50.648175.7-57.20000112.5Q16 R67Q16-S85 PolarHBondContact O-N 2.86Å; Q16-S85 VanDerWaalsContact O-N 3.15Å; R67-S85 PolarHBondContact NH1-O 2.93Å; R67-S85 VanDerWaalsContact NH1-O 3.16Å
86V97.9Very high97.6Very high12 Ų1252 Ų527%0.07328%0.281CS..  trans-63.3143.5-174.3-60.10000111.6V12 R13 P14 S15 Q16 L18 L83 S84 D90V12-V86 HydrophobicContact CB-CG2 4.46Å; V12-V86 HydrophobicContact CG1-CG2 3.86Å; R13-V86 WeakPolarHBondContact O-CG2 3.27Å; P14-V86 WeakPolarHBondContact CA-O 3.47Å; S15-V86 PolarHBondContact N-O 3.05Å; Q16-V86 PolarHBondContact O-N 3.07Å; L18-V86 HydrophobicContact CB-CG1 3.86Å; L83-V86 HydrophobicContact CB-CG1 4.45Å; L83-V86 HydrophobicContact CD2-CG1 4.32Å; L83-V86 HydrophobicContact CG-CG1 4.19Å; L83-V86 VanDerWaalsContact O-CG1 3.3Å; L83-V86 WeakPolarHBondContact O-CG1 3.29Å; S84-V86 VanDerWaalsContact C-N 3.28Å; S84-V86 PolarHBondContact O-N 2.95Å; V86-D90 VanDerWaalsContact CA-OD2 3.3Å; V86-D90 WeakPolarHBondContact CA-OD2 3.21Å; V86-D90 HydrophobicContact CB-CB 4.41Å
87T96.9Very high97.5Very high62 Ų6247.4 Ų47.438%0.3827%0.266SS..  trans-118.5176.5175.974.40000110.5E89 D90T87-E89 PolarHBondContact O-N 3.16Å; T87-E89 WeakPolarHBondContact OG1-CB 3.11Å; T87-E89 PolarHBondContact OG1-N 2.85Å; T87-D90 PolarHBondContact N-OD2 2.83Å; T87-D90 WeakPolarHBondContact O-CB 3.43Å; T87-D90 PolarHBondContact O-N 3.32Å
88T95.5Very high97.2Very high113 Ų11351.8 Ų51.869%0.69328%0.28SS*.G310 helixtrans-60.4-27.3172.248.80000112.5D90 T91T88-D90 PolarHBondContact O-N 2.87Å; T88-T91 VanDerWaalsContact O-CB 3.3Å; T88-T91 WeakPolarHBondContact O-CB 3.07Å; T88-T91 PolarHBondContact O-N 3.14Å; T88-T91 PolarHBondContact O-OG1 2.9Å
89E95Very high97.1Very high152 Ų15252.1 Ų52.171%0.7128%0.283SS*.G310 helixtrans-69.1-17.3176.1-59.4179.9169.800112.6F41 T87 T91F41-E89 VanDerWaalsContact CE1-O 3.25Å; F41-E89 WeakPolarHBondContact CE1-O 3.39Å; T87-E89 PolarHBondContact O-N 3.16Å; T87-E89 WeakPolarHBondContact OG1-CB 3.11Å; T87-E89 PolarHBondContact OG1-N 2.85Å; E89-T91 VanDerWaalsContact C-N 3.26Å; E89-T91 PolarHBondContact O-N 3.39Å
90D96.9Very high97.1Very high9 Ų954.8 Ų54.85%0.04830%0.298CS..G310 helixtrans-86.64.2176.2-60.3-51.6000112.5R39 R67 L83 V86 T87 T88 A92 Y94R39-D90 IonicContact CZ-OD1 2.67Å; R39-D90 IonicContact NH1-OD1 3.25Å; R39-D90 PolarHBondContact NH1-OD1 3.01Å; R39-D90 IonicContact NH2-OD1 2.69Å; R67-D90 IonicContact CZ-OD1 3.6Å; R67-D90 IonicContact CZ-OD2 3.79Å; R67-D90 IonicContact NH1-OD1 2.78Å; R67-D90 IonicContact NH1-OD2 3.08Å; R67-D90 PolarHBondContact NH1-OD2 3.14Å; R67-D90 IonicContact NH2-OD1 3.47Å; R67-D90 PolarHBondContact NH2-OD1 2.84Å; R67-D90 IonicContact NH2-OD2 2.73Å; R67-D90 PolarHBondContact NH2-OD2 3.17Å; L83-D90 HydrophobicContact CD2-CB 4.07Å; V86-D90 VanDerWaalsContact CA-OD2 3.3Å; V86-D90 WeakPolarHBondContact CA-OD2 3.21Å; V86-D90 HydrophobicContact CB-CB 4.41Å; T87-D90 PolarHBondContact N-OD2 2.83Å; T87-D90 WeakPolarHBondContact O-CB 3.43Å; T87-D90 PolarHBondContact O-N 3.32Å; T88-D90 PolarHBondContact O-N 2.87Å; D90-A92 PolarHBondContact O-N 3.29Å; D90-A92 VanDerWaalsContact O-N 3.16Å; D90-Y94 PolarHBondContact O-OH 3.37Å
91T96.6Very high97Very high94 Ų9456.6 Ų56.658%0.57731%0.305SS*.  trans-70.8106.9177.4-53.40000110.5T88 E89T88-T91 VanDerWaalsContact O-CB 3.3Å; T88-T91 WeakPolarHBondContact O-CB 3.07Å; T88-T91 PolarHBondContact O-N 3.14Å; T88-T91 PolarHBondContact O-OG1 2.9Å; E89-T91 VanDerWaalsContact C-N 3.26Å; E89-T91 PolarHBondContact O-N 3.39Å
92A97.4Very high96.9Very high24 Ų2459.9 Ų59.920%0.19832%0.323CS..SBendtrans-160165.8-177.200000110.6R39 Q40 F41 D90 Y94R39-A92 HydrophobicContact CB-CB 3.79Å; R39-A92 HydrophobicContact CG-CB 4.3Å; Q40-A92 WeakPolarHBondContact O-CA 3.19Å; Q40-A92 WeakPolarHBondContact O-CB 3.4Å; F41-A92 HydrophobicContact CD1-CB 3.94Å; F41-A92 HydrophobicContact CE1-CB 4.08Å; D90-A92 PolarHBondContact O-N 3.29Å; D90-A92 VanDerWaalsContact O-N 3.16Å; A92-Y94 HydrophobicContact CB-CE2 4.06Å; A92-Y94 VanDerWaalsContact O-CD2 3.27Å; A92-Y94 WeakPolarHBondContact O-CD2 3.33Å; A92-Y94 WeakPolarHBondContact O-CE2 3.39Å
93T97.7Very high96.8Very high74 Ų7457.4 Ų57.445%0.45432%0.316SS..EExtended strand (participates in β ladder)trans-83.7130.1162.4-51.20000108.6R39 Q40 Y95R39-T93 CarbonylContact C-O 3.51Å; R39-T93 VanDerWaalsContact CA-O 3.29Å; R39-T93 WeakPolarHBondContact CA-O 2.89Å; Q40-T93 PolarHBondContact N-O 2.67Å; Q40-T93 PolarHBondContact O-N 2.93Å; T93-Y95 HydrophobicContact CG2-CD1 4.48Å; T93-Y95 HydrophobicContact CG2-CD2 4.46Å; T93-Y95 HydrophobicContact CG2-CE1 3.75Å; T93-Y95 HydrophobicContact CG2-CE2 3.73Å; T93-Y95 WeakPolarHBondContact CG2-OH 3.37Å
94Y98.4Very high96.7Very high25 Ų2561.2 Ų61.210%0.09834%0.337CS..EExtended strand (participates in β ladder)trans-104.2133.4-178.8-70.1-105.2000109.3L18 L20 I38 R39 I49 L81 D90 A92L18-Y94 HydrophobicContact CD2-CD1 4.38Å; L18-Y94 HydrophobicContact CD2-CD2 4.14Å; L18-Y94 HydrophobicContact CD2-CE1 3.94Å; L18-Y94 HydrophobicContact CD2-CE2 3.7Å; L18-Y94 HydrophobicContact CD2-CG 4.48Å; L20-Y94 HydrophobicContact CD1-CD1 3.78Å; L20-Y94 HydrophobicContact CD1-CD2 4.16Å; L20-Y94 HydrophobicContact CD1-CG 3.48Å; L20-Y94 VanDerWaalsContact CD1-CG 3.48Å; I38-Y94 WeakPolarHBondContact O-CA 3.14Å; R39-Y94 HydrophobicContact CB-CD1 3.94Å; R39-Y94 HydrophobicContact CB-CE1 3.93Å; R39-Y94 HydrophobicContact CB-CG 4.27Å; R39-Y94 HydrophobicContact CG-CE1 4.49Å; R39-Y94 PolarHBondContact NH1-OH 2.88Å; I49-Y94 HydrophobicContact CD1-CD1 3.57Å; I49-Y94 HydrophobicContact CD1-CE1 3.55Å; L81-Y94 HydrophobicContact CD2-CD1 3.87Å; L81-Y94 HydrophobicContact CD2-CE1 4.16Å; D90-Y94 PolarHBondContact O-OH 3.37Å; A92-Y94 HydrophobicContact CB-CE2 4.06Å; A92-Y94 VanDerWaalsContact O-CD2 3.27Å; A92-Y94 WeakPolarHBondContact O-CD2 3.33Å; A92-Y94 WeakPolarHBondContact O-CE2 3.39Å
95Y98.2Very high96.6Very high83 Ų8362.8 Ų62.833%0.32534%0.342SS..EExtended strand (participates in β ladder)trans-125.5145178.5-55.2-80.5000110.3E6 I38 Q40 T93E6-Y95 VanDerWaalsContact OE1-CA 3.32Å; E6-Y95 WeakPolarHBondContact OE1-CA 3.3Å; I38-Y95 HydrophobicContact CG1-CD2 4.48Å; I38-Y95 PolarHBondContact N-O 2.8Å; I38-Y95 PolarHBondContact O-N 3.13Å; Q40-Y95 HydrophobicContact CB-CD2 4.35Å; Q40-Y95 HydrophobicContact CB-CE2 3.74Å; Q40-Y95 PolarHBondContact OE1-OH 3.44Å; Q40-Y95 VanDerWaalsContact OE1-OH 3.12Å; T93-Y95 HydrophobicContact CG2-CD1 4.48Å; T93-Y95 HydrophobicContact CG2-CD2 4.46Å; T93-Y95 HydrophobicContact CG2-CE1 3.75Å; T93-Y95 HydrophobicContact CG2-CE2 3.73Å; T93-Y95 WeakPolarHBondContact CG2-OH 3.37Å
96C98Very high96.5Very high9 Ų962.5 Ų62.56%0.06133%0.333CS..EExtended strand (participates in β ladder)trans-94.5146.3163.556.80000110.8L4 E6 C22 I36 W37 F79L4-C96 WeakPolarHBondContact CD1-O 3.15Å; E6-C96 VanDerWaalsContact CD-SG 3.52Å; E6-C96 HydrophobicContact CG-CB 4.33Å; E6-C96 VanDerWaalsContact CG-SG 3.58Å; E6-C96 PolarHBondContact OE1-N 3.24Å; E6-C96 PolarHBondContact OE1-SG 2.7Å; E6-C96 VanDerWaalsContact OE1-SG 3.33Å; C22-C96 HydrophobicContact CB-CB 3.37Å; C22-C96 WeakPolarHBondContact CB-SG 3.27Å; C22-C96 WeakPolarHBondContact SG-CB 3.43Å; C22-C96 CovalentContact SG-SG 2.03Å; C22-C96 PolarHBondContact SG-SG 3.5Å; I36-C96 CarbonylContact O-C 3.56Å; I36-C96 VanDerWaalsContact O-CA 3.32Å; I36-C96 WeakPolarHBondContact O-CA 2.88Å; W37-C96 HydrophobicContact CD2-CB 4.46Å; W37-C96 HydrophobicContact CE3-CB 4.2Å; W37-C96 HydrophobicContact CH2-CB 4.12Å; W37-C96 HydrophobicContact CZ2-CB 4.37Å; W37-C96 HydrophobicContact CZ3-CB 4.02Å; F79-C96 HydrophobicContact CE1-CB 4.39Å; F79-C96 HydrophobicContact CE2-CB 3.96Å; F79-C96 HydrophobicContact CZ-CB 3.51Å
97A96.5Very high96.4Very high26 Ų2666.8 Ų66.822%0.21535%0.354CS..EExtended strand (participates in β ladder)trans-141.7164.2-177.900000111.1I36I36-A97 HydrophobicContact CB-CB 4.24Å; I36-A97 PolarHBondContact N-O 3.37Å; I36-A97 PolarHBondContact O-N 3.17Å
98R89.6Confident96.3Very high130 Ų13067.2 Ų67.249%0.49135%0.352SS..  trans-126.70170.4-169.8-175.169.4174.4-0.9109F27 Y34 W35F27-R98 VanDerWaalsContact CD1-NH1 3.31Å; F27-R98 VanDerWaalsContact CE1-NH1 3.27Å; Y34-R98 VanDerWaalsContact CE2-OXT 3.27Å; Y34-R98 WeakPolarHBondContact CE2-OXT 3.03Å; W35-R98 HydrophobicContact CE3-CB 3.85Å; W35-R98 HydrophobicContact CE3-CG 4Å; W35-R98 HydrophobicContact CH2-CB 4.37Å; W35-R98 HydrophobicContact CH2-CG 4.07Å; W35-R98 HydrophobicContact CZ3-CB 3.59Å; W35-R98 HydrophobicContact CZ3-CG 3.73Å

Retrieved 98 of 98 residues in 154.4 ms (Link to these results)

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