A0A096MWX2_PAPAN Loading...

Prostate and testis expressed 3

AlphaFold DB , UniProt , Accession A0A096MWX2, Species PAPAN (Papio anubis, Olive baboon), Gene PATE3, 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
1M46.7Very low53.9Low243 Ų243148.7 Ų148.7100%1.19771%0.709SS**  0120.60-80154.467.300108.4K3M1-K3 PolarHBondContact O-N 3.21Å
2N50.8Low54Low117 Ų117143.1 Ų143.163%0.62670%0.696SS**  trans-77.3106.6-156.2-151.915.7000111.9Y4 F5N2-Y4 PolarHBondContact O-N 3.44Å; N2-Y4 WeakPolarHBondContact OD1-CD2 3.35Å; N2-F5 PolarHBondContact O-N 2.95Å; N2-F5 VanDerWaalsContact O-N 3.15Å
3K54.6Low54.1Low164 Ų164139.5 Ų139.571%0.71369%0.692SS**THydrogen-bonded Turntrans-63-12.5-175.4-157.1170.178.3176.50113.9M1M1-K3 PolarHBondContact O-N 3.21Å
4Y57.7Low54.1Low179 Ų179139.4 Ų139.470%0.70270%0.695SS**THydrogen-bonded Turntrans-75.2-25176.9-65.5-82.4000113.5N2 L6 F7N2-Y4 PolarHBondContact O-N 3.44Å; N2-Y4 WeakPolarHBondContact OD1-CD2 3.35Å; Y4-L6 VanDerWaalsContact C-N 3.32Å; Y4-L6 PolarHBondContact O-N 2.68Å; Y4-F7 PolarHBondContact O-N 2.61Å
5F53.6Low54.2Low164 Ų164138.7 Ų138.772%0.71969%0.692SS**Hα-helixtrans-71.5-27.6-175.9-138-91.6000112.8N2N2-F5 PolarHBondContact O-N 2.95Å; N2-F5 VanDerWaalsContact O-N 3.15Å
6L54.1Low54.1Low143 Ų143137.1 Ų137.175%0.74969%0.692SS**Hα-helixtrans-76.8-20.4179.4-82.7155.6000113.7Y4Y4-L6 VanDerWaalsContact C-N 3.32Å; Y4-L6 PolarHBondContact O-N 2.68Å
7F52.2Low54.1Low162 Ų162133.8 Ų133.871%0.71169%0.691SS**Hα-helixtrans-95.1-10.4178-85.3-79.4000114Y4 P10Y4-F7 PolarHBondContact O-N 2.61Å; F7-P10 WeakPolarHBondContact O-CD 3.27Å
8L54.5Low54.4Low107 Ų107132.8 Ų132.856%0.5669%0.691SS**Hα-helixtrans-81.1-24.8176.4-92.9146.8000113.1
9F55.8Low55.1Low165 Ų165132.4 Ų132.472%0.72470%0.695SS**Hα-helixtrans-67.8-41.9-177-152.1-98.5000115.1L11F9-L11 VanDerWaalsContact C-N 3.32Å; F9-L11 PolarHBondContact O-N 2.86Å
10P57.8Low56.7Low75 Ų75129.3 Ų129.349%0.48769%0.685SS.*Hα-helixtrans-74.7-22179.528.5-33000113.1F7F7-P10 WeakPolarHBondContact O-CD 3.27Å
11L55.5Low58.5Low117 Ų117124.5 Ų124.561%0.61366%0.66SS**Hα-helixtrans-73.1-35.4-179.4-141.282.1000111.9F9 C13 L14 I15F9-L11 VanDerWaalsContact C-N 3.32Å; F9-L11 PolarHBondContact O-N 2.86Å; L11-C13 VanDerWaalsContact C-N 3.34Å; L11-C13 PolarHBondContact O-N 3.26Å; L11-L14 PolarHBondContact O-N 2.97Å; L11-I15 WeakPolarHBondContact O-CG1 3.19Å
12C55Low60.8Low81 Ų81115.2 Ų115.255%0.54761%0.613SS.*Hα-helixtrans-67.5-28.9177.5-86.60000113.9L14C12-L14 VanDerWaalsContact C-N 3.31Å; C12-L14 PolarHBondContact O-N 2.73Å
13C55.4Low63Low97 Ų97109.6 Ų109.666%0.65558%0.583SS**Hα-helixtrans-71.9-23.8179.6-68.10000113.3L11L11-C13 VanDerWaalsContact C-N 3.34Å; L11-C13 PolarHBondContact O-N 3.26Å
14L53.6Low64.9Low138 Ų138103 Ų10372%0.72356%0.555SS**THydrogen-bonded Turntrans-82.1-17.4-178.8-76.1159.8000113.4L11 C12L11-L14 PolarHBondContact O-N 2.97Å; C12-L14 VanDerWaalsContact C-N 3.31Å; C12-L14 PolarHBondContact O-N 2.73Å
15I55.3Low66.7Low129 Ų12995.6 Ų95.666%0.66253%0.529SS*.THydrogen-bonded Turntrans-86.6-13.1-171.7-19.6176.5000112.8L11L11-I15 WeakPolarHBondContact O-CG1 3.19Å
16V52.6Low68.6Low113 Ų11387.8 Ų87.869%0.68550%0.495SS*.THydrogen-bonded Turntrans-103.339.4179.8-165.10000110.8V18V16-V18 HydrophobicContact CG1-CG2 4.14Å; V16-V18 PolarHBondContact O-N 3.48Å
17A54.4Low70.2Confident81 Ų8185.3 Ų85.367%0.66948%0.479SS*.  trans-78.973.6158.500000107.8T19A17-T19 PolarHBondContact O-N 2.99Å
18V59.5Low71.8Confident115 Ų11580.3 Ų80.370%0.69746%0.459SS*.  trans-60.8108.21651790000105.3V16 S20V16-V18 HydrophobicContact CG1-CG2 4.14Å; V16-V18 PolarHBondContact O-N 3.48Å; V18-S20 PolarHBondContact O-N 2.98Å
19T67.7Low73.2Confident126 Ų12677.5 Ų77.577%0.77344%0.441SS*.  trans-61.7106177.751.10000108A17 L21A17-T19 PolarHBondContact O-N 2.99Å; T19-L21 PolarHBondContact O-N 3.36Å
20S86.4Confident74.5Confident70 Ų7070.9 Ų70.949%0.4942%0.415SS..PPolyproline II helixtrans-64.9127.7-179.5-49.80000110V18 Q22V18-S20 PolarHBondContact O-N 2.98Å; S20-Q22 PolarHBondContact O-N 2.75Å
21L94.8Very high75.2Confident29 Ų2976.7 Ų76.715%0.15243%0.427CS..PPolyproline II helixtrans-62.6125.4-179.9172.268.9000110.2T19 T43 A44 H91T19-L21 PolarHBondContact O-N 3.36Å; L21-T43 CarbonylContact O-C 3.57Å; L21-T43 WeakPolarHBondContact O-CA 3.45Å; L21-A44 HydrophobicContact CB-CB 3.99Å; L21-A44 HydrophobicContact CD2-CB 4Å; L21-A44 HydrophobicContact CG-CB 4.13Å; L21-A44 PolarHBondContact O-N 3.47Å; L21-H91 WeakPolarHBondContact CD1-O 3.41Å
22Q96.3Very high75.9Confident47 Ų4776 Ų7622%0.2243%0.428CS..EExtended strand (participates in β ladder)trans-101.3137.1175.8-61.8-65.4-22.600110.3S20 C42 T43 N92 Y93S20-Q22 PolarHBondContact O-N 2.75Å; Q22-C42 CarbonylContact C-O 3.49Å; Q22-C42 WeakPolarHBondContact CA-O 3.15Å; Q22-C42 PolarHBondContact OE1-O 3.17Å; Q22-T43 VanDerWaalsContact CD-OG1 3.29Å; Q22-T43 PolarHBondContact NE2-OG1 3.39Å; Q22-T43 PolarHBondContact OE1-OG1 3.1Å; Q22-N92 PolarHBondContact N-OD1 3.41Å; Q22-N92 CarbonylContact O-C 3.51Å; Q22-N92 VanDerWaalsContact O-CA 3.3Å; Q22-N92 WeakPolarHBondContact O-CA 3.45Å; Q22-Y93 HydrophobicContact CB-CD1 4.3Å; Q22-Y93 HydrophobicContact CB-CE1 3.68Å; Q22-Y93 HydrophobicContact CB-CE2 4.38Å; Q22-Y93 PolarHBondContact O-N 2.95Å
23C96.3Very high76.5Confident0 Ų077.6 Ų77.60%043%0.431CS..EExtended strand (participates in β ladder)trans-127.9151.3178.6-500000110.3A41 C42 C50 C68C23-A41 CarbonylContact O-C 3.59Å; C23-A41 WeakPolarHBondContact O-CA 3.39Å; C23-A41 WeakPolarHBondContact O-CB 3.34Å; C23-C42 PolarHBondContact N-O 2.97Å; C23-C42 PolarHBondContact O-N 2.79Å; C23-C50 VanDerWaalsContact CA-SG 3.52Å; C23-C50 HydrophobicContact CB-CB 3.66Å; C23-C50 WeakPolarHBondContact CB-SG 3.49Å; C23-C50 WeakPolarHBondContact SG-CA 3.5Å; C23-C50 WeakPolarHBondContact SG-CB 3.32Å; C23-C50 PolarHBondContact SG-N 3.22Å; C23-C50 CovalentContact SG-SG 2.02Å; C23-C50 PolarHBondContact SG-SG 3.27Å; C23-C68 VanDerWaalsContact SG-SG 3.67Å
24I95.3Very high77.6Confident24 Ų2482 Ų8212%0.12343%0.434CS..EExtended strand (participates in β ladder)trans-75.7140169.8-62.9-58.6000109.1F39 M66 Y93 N95 F96I24-F39 HydrophobicContact CG2-CE2 4.32Å; I24-M66 HydrophobicContact CG2-CE 3.88Å; I24-M66 HydrophobicContact CG2-SD 4.17Å; I24-M66 CarbonylContact O-C 3.54Å; I24-M66 WeakPolarHBondContact O-CB 3.02Å; I24-Y93 HydrophobicContact CD1-CD1 3.46Å; I24-Y93 VanDerWaalsContact CD1-CD1 3.46Å; I24-Y93 HydrophobicContact CD1-CE1 4.06Å; I24-Y93 HydrophobicContact CD1-CG 4.28Å; I24-Y93 HydrophobicContact CG1-CD1 3.89Å; I24-Y93 HydrophobicContact CG1-CG 4.47Å; I24-N95 PolarHBondContact N-OD1 3.05Å; I24-N95 PolarHBondContact O-ND2 3.15Å; I24-F96 HydrophobicContact CB-CB 4.44Å; I24-F96 HydrophobicContact CG1-CB 3.91Å; I24-F96 HydrophobicContact CG1-CD2 4.36Å; I24-F96 HydrophobicContact CG1-CG 4.34Å; I24-F96 HydrophobicContact CG2-CD2 4.2Å
25T95.4Very high79.2Confident24 Ų2476.7 Ų76.715%0.14741%0.408CS..EExtended strand (participates in β ladder)trans-104.7138.2170.6630000110.6G38 F39 G40 C42 M66T25-G38 CarbonylContact C-O 3.23Å; T25-G38 VanDerWaalsContact C-O 3.23Å; T25-G38 WeakPolarHBondContact CB-O 3.32Å; T25-G38 PolarHBondContact OG1-O 2.88Å; T25-F39 WeakPolarHBondContact O-CA 3.44Å; T25-G40 PolarHBondContact N-O 2.81Å; T25-G40 PolarHBondContact O-N 3.24Å; T25-G40 VanDerWaalsContact OG1-C 3.23Å; T25-G40 WeakPolarHBondContact OG1-CA 3.08Å; T25-G40 PolarHBondContact OG1-N 3.18Å; T25-G40 PolarHBondContact OG1-O 3.46Å; T25-C42 HydrophobicContact CG2-CB 3.65Å; T25-C42 VanDerWaalsContact CG2-SG 3.51Å; T25-M66 CarbonylContact C-O 3.53Å; T25-M66 VanDerWaalsContact CA-O 3.25Å; T25-M66 WeakPolarHBondContact CA-O 3.37Å
26C93.8Very high80.6Confident0 Ų078.3 Ų78.30%041%0.405CS..EExtended strand (participates in β ladder)trans-159.4119.1165-175.30000109.3C35 Y65 M66C26-C35 WeakPolarHBondContact CA-SG 3.43Å; C26-C35 HydrophobicContact CB-CB 4.01Å; C26-C35 WeakPolarHBondContact CB-SG 3.25Å; C26-C35 WeakPolarHBondContact SG-CA 3.41Å; C26-C35 WeakPolarHBondContact SG-CB 3.35Å; C26-C35 CovalentContact SG-SG 2.03Å; C26-C35 PolarHBondContact SG-SG 3.4Å; C26-Y65 CarbonylContact O-C 3.58Å; C26-Y65 VanDerWaalsContact O-CA 3.29Å; C26-Y65 WeakPolarHBondContact O-CA 3.22Å; C26-M66 HydrophobicContact CB-CB 4.23Å; C26-M66 HydrophobicContact CB-CE 3.32Å; C26-M66 PolarHBondContact N-O 3.34Å; C26-M66 PolarHBondContact O-N 3.31Å
27H87.3Confident82Confident91 Ų9181.7 Ų81.742%0.42141%0.406SS..EExtended strand (participates in β ladder)trans-87.3-10.3-179.9-67.6-67.7000113.7R37 Y65H27-R37 PolarHBondContact N-O 3.26Å; H27-Y65 HydrophobicContact CB-CD1 4.49Å; H27-Y65 WeakPolarHBondContact O-CD1 2.98Å; H27-Y65 WeakPolarHBondContact O-CE1 3.43Å
28L85.6Confident83.5Confident57 Ų5779.6 Ų79.630%0.29839%0.392SS..EExtended strand (participates in β ladder)trans-158.292.6178.2-168.268.3000110.2R36 R37 I63L28-R36 HydrophobicContact CB-CB 4.4Å; L28-R36 HydrophobicContact CD2-CB 4.33Å; L28-R36 WeakPolarHBondContact O-CB 3.45Å; L28-R36 PolarHBondContact O-N 3.49Å; L28-R37 HydrophobicContact CB-CB 4.4Å; L28-I63 HydrophobicContact CD1-CB 4.27Å; L28-I63 HydrophobicContact CD1-CD1 4.4Å; L28-I63 HydrophobicContact CD1-CG2 3.82Å
29R83.8Confident85Confident48 Ų4880.9 Ų80.918%0.18139%0.388CS..EExtended strand (participates in β ladder)trans-104.8118.8170.1179.4176.6-179.6175.90.3109D33 I63 S64R29-D33 IonicContact CZ-OD1 3.53Å; R29-D33 IonicContact NE-OD1 3.48Å; R29-D33 PolarHBondContact NE-OD1 2.82Å; R29-D33 IonicContact NH2-OD1 2.73Å; R29-D33 PolarHBondContact NH2-OD1 3.22Å; R29-I63 CarbonylContact O-C 3.47Å; R29-I63 VanDerWaalsContact O-CA 3.32Å; R29-I63 WeakPolarHBondContact O-CA 3.38Å; R29-S64 WeakPolarHBondContact CB-OG 3.41Å; R29-S64 PolarHBondContact N-O 3.25Å; R29-S64 PolarHBondContact O-N 3Å
30T82.9Confident86.3Confident27 Ų2776.2 Ų76.217%0.16637%0.365CS..EExtended strand (participates in β ladder)trans-91.8169.7173.251.70000110.4T32 D33 R36 I63T30-T32 PolarHBondContact O-N 2.88Å; T30-T32 PolarHBondContact OG1-OG1 3.36Å; T30-D33 PolarHBondContact O-N 2.87Å; T30-D33 VanDerWaalsContact O-N 3.15Å; T30-R36 PolarHBondContact OG1-NE 2.89Å; T30-I63 HydrophobicContact CG2-CG2 4.39Å
31R72Confident86.7Confident196 Ų19675.7 Ų75.774%0.7437%0.365SS*.THydrogen-bonded Turntrans-50.8-26.6178.8-169.9178.8178.9-174.60.8115.1D33R31-D33 PolarHBondContact O-N 2.86Å
32T71.5Confident86.7Confident104 Ų10475.6 Ų75.664%0.63837%0.367SS*.THydrogen-bonded Turntrans-73.720.6177.561.10000114.3T30 R34T30-T32 PolarHBondContact O-N 2.88Å; T30-T32 PolarHBondContact OG1-OG1 3.36Å; T32-R34 PolarHBondContact O-N 3.16Å
33D65.9Low86.7Confident113 Ų11376.5 Ų76.560%0.60438%0.376SS*.SBendtrans53.1-2.5177.8-75.5-47.8000119.2R29 T30 R31R29-D33 IonicContact CZ-OD1 3.53Å; R29-D33 IonicContact NE-OD1 3.48Å; R29-D33 PolarHBondContact NE-OD1 2.82Å; R29-D33 IonicContact NH2-OD1 2.73Å; R29-D33 PolarHBondContact NH2-OD1 3.22Å; T30-D33 PolarHBondContact O-N 2.87Å; T30-D33 VanDerWaalsContact O-N 3.15Å; R31-D33 PolarHBondContact O-N 2.86Å
34R80.1Confident86.7Confident191 Ų19177.2 Ų77.272%0.72138%0.381SS*.  trans-87123.7176.3-156.1171.193.31745.9111T32 R36T32-R34 PolarHBondContact O-N 3.16Å; R34-R36 PolarHBondContact O-N 2.87Å
35C86.6Confident86.6Confident26 Ų2683 Ų8318%0.17641%0.408CS..BIsolated β-bridgetrans-63.1120.5165.3-172.90000109.3C26 R37 F39C26-C35 WeakPolarHBondContact CA-SG 3.43Å; C26-C35 HydrophobicContact CB-CB 4.01Å; C26-C35 WeakPolarHBondContact CB-SG 3.25Å; C26-C35 WeakPolarHBondContact SG-CA 3.41Å; C26-C35 WeakPolarHBondContact SG-CB 3.35Å; C26-C35 CovalentContact SG-SG 2.03Å; C26-C35 PolarHBondContact SG-SG 3.4Å; C35-R37 PolarHBondContact SG-O 2.92Å; C35-F39 HydrophobicContact CB-CB 4.03Å; C35-F39 HydrophobicContact CB-CD2 3.83Å; C35-F39 HydrophobicContact CB-CG 4.3Å
36R84.2Confident86.4Confident162 Ų16290.1 Ų90.161%0.61144%0.437SS*.  trans-87.6-27.5-178.4-64-171176.5-153.4-3.6112.9L28 T30 R34L28-R36 HydrophobicContact CB-CB 4.4Å; L28-R36 HydrophobicContact CD2-CB 4.33Å; L28-R36 WeakPolarHBondContact O-CB 3.45Å; L28-R36 PolarHBondContact O-N 3.49Å; T30-R36 PolarHBondContact OG1-NE 2.89Å; R34-R36 PolarHBondContact O-N 2.87Å
37R82.1Confident86.3Confident185 Ų18594.5 Ų94.570%0.69846%0.46SS*.SBendtrans-148.3137.7-174.2-172176.7179.9176.70.4112.1H27 L28 C35 F39H27-R37 PolarHBondContact N-O 3.26Å; L28-R37 HydrophobicContact CB-CB 4.4Å; C35-R37 PolarHBondContact SG-O 2.92Å; R37-F39 VanDerWaalsContact C-N 3.33Å; R37-F39 PolarHBondContact O-N 3.15Å
38G85.3Confident86.7Confident36 Ų3692.6 Ų92.637%0.37145%0.451SS..  trans6732.6172.100000114T25 G40T25-G38 CarbonylContact C-O 3.23Å; T25-G38 VanDerWaalsContact C-O 3.23Å; T25-G38 WeakPolarHBondContact CB-O 3.32Å; T25-G38 PolarHBondContact OG1-O 2.88Å; G38-G40 PolarHBondContact O-N 2.77Å
39F92.8Very high87.2Confident142 Ų14290.3 Ų90.362%0.62344%0.44SS*.  trans-65.9130.2171.7-175.8-105.5000109.4I24 T25 C35 R37I24-F39 HydrophobicContact CG2-CE2 4.32Å; T25-F39 WeakPolarHBondContact O-CA 3.44Å; C35-F39 HydrophobicContact CB-CB 4.03Å; C35-F39 HydrophobicContact CB-CD2 3.83Å; C35-F39 HydrophobicContact CB-CG 4.3Å; R37-F39 VanDerWaalsContact C-N 3.33Å; R37-F39 PolarHBondContact O-N 3.15Å
40G93.8Very high87.8Confident28 Ų2888 Ų8829%0.28943%0.432SS..EExtended strand (participates in β ladder)trans168.2-155.1-178.200000111.1T25 G38T25-G40 PolarHBondContact N-O 2.81Å; T25-G40 PolarHBondContact O-N 3.24Å; T25-G40 VanDerWaalsContact OG1-C 3.23Å; T25-G40 WeakPolarHBondContact OG1-CA 3.08Å; T25-G40 PolarHBondContact OG1-N 3.18Å; T25-G40 PolarHBondContact OG1-O 3.46Å; G38-G40 PolarHBondContact O-N 2.77Å
41A95.2Very high88.5Confident59 Ų5987.2 Ų87.249%0.48843%0.426SS..EExtended strand (participates in β ladder)trans-134.4150.617300000110.6C23 Y93C23-A41 CarbonylContact O-C 3.59Å; C23-A41 WeakPolarHBondContact O-CA 3.39Å; C23-A41 WeakPolarHBondContact O-CB 3.34Å; A41-Y93 HydrophobicContact CB-CE1 4.15Å
42C95.4Very high89.7Confident27 Ų2778 Ų7818%0.18239%0.392CS..EExtended strand (participates in β ladder)trans-122.3148170.659.30000109.9Q22 C23 T25 C68Q22-C42 CarbonylContact C-O 3.49Å; Q22-C42 WeakPolarHBondContact CA-O 3.15Å; Q22-C42 PolarHBondContact OE1-O 3.17Å; C23-C42 PolarHBondContact N-O 2.97Å; C23-C42 PolarHBondContact O-N 2.79Å; T25-C42 HydrophobicContact CG2-CB 3.65Å; T25-C42 VanDerWaalsContact CG2-SG 3.51Å; C42-C68 HydrophobicContact CB-CB 4.12Å; C42-C68 WeakPolarHBondContact CB-SG 3.27Å; C42-C68 WeakPolarHBondContact SG-CB 3.35Å; C42-C68 PolarHBondContact SG-N 3Å; C42-C68 CovalentContact SG-SG 2.04Å; C42-C68 PolarHBondContact SG-SG 3.47Å
43T96.3Very high90.8Very high67 Ų6774.1 Ų74.141%0.41137%0.367SS..EExtended strand (participates in β ladder)trans-94.7116.6170.3-54.50000108.1L21 Q22 Q45L21-T43 CarbonylContact O-C 3.57Å; L21-T43 WeakPolarHBondContact O-CA 3.45Å; Q22-T43 VanDerWaalsContact CD-OG1 3.29Å; Q22-T43 PolarHBondContact NE2-OG1 3.39Å; Q22-T43 PolarHBondContact OE1-OG1 3.1Å; T43-Q45 PolarHBondContact O-N 3.14Å
44A94.8Very high92.2Very high14 Ų1470.6 Ų70.612%0.11635%0.346CS..  trans-64.1129.6-179.100000110.3L21 E48L21-A44 HydrophobicContact CB-CB 3.99Å; L21-A44 HydrophobicContact CD2-CB 4Å; L21-A44 HydrophobicContact CG-CB 4.13Å; L21-A44 PolarHBondContact O-N 3.47Å; A44-E48 HydrophobicContact CB-CB 3.92Å
45Q93.8Very high92.9Very high147 Ų14762 Ų6269%0.68732%0.315SS*.  trans-83.9-173.1174.2-57.3-167.513.800111.4T43 D47 E48T43-Q45 PolarHBondContact O-N 3.14Å; Q45-D47 PolarHBondContact O-N 2.02Å; Q45-E48 HydrophobicContact CB-CG 4.21Å; Q45-E48 PolarHBondContact N-OE2 3.33Å; Q45-E48 WeakPolarHBondContact O-CB 3.15Å; Q45-E48 PolarHBondContact O-N 2.96Å
46K90.5Very high93.3Very high173 Ų17363.7 Ų63.775%0.75232%0.318SS*.THydrogen-bonded Turntrans-57.4131.6175.4-169.6-178.2175.5-179.80110.5E48K46-E48 PolarHBondContact O-N 2.84Å
47D92.1Very high93.8Very high91 Ų9159.8 Ų59.849%0.48731%0.306SS..THydrogen-bonded Turntrans6414.7-178.3-45.3-46.8000114.3Q45 K70 F71Q45-D47 PolarHBondContact O-N 2.02Å; D47-K70 HydrophobicContact CB-CG 4.45Å; D47-K70 WeakPolarHBondContact O-CA 3.48Å; D47-F71 HydrophobicContact CB-CD1 4.16Å; D47-F71 HydrophobicContact CB-CE1 3.92Å; D47-F71 PolarHBondContact O-N 2.02Å
48E96.1Very high94.3Very high52 Ų5253.5 Ų53.524%0.24330%0.299CS..EExtended strand (participates in β ladder)trans-99.4149.1171.4-61.3-171.9153.900111.9A44 Q45 K46 Q69 K70A44-E48 HydrophobicContact CB-CB 3.92Å; Q45-E48 HydrophobicContact CB-CG 4.21Å; Q45-E48 PolarHBondContact N-OE2 3.33Å; Q45-E48 WeakPolarHBondContact O-CB 3.15Å; Q45-E48 PolarHBondContact O-N 2.96Å; K46-E48 PolarHBondContact O-N 2.84Å; E48-Q69 VanDerWaalsContact CA-O 3.28Å; E48-Q69 WeakPolarHBondContact CA-O 3.07Å; E48-K70 HydrophobicContact CG-CB 4.18Å; E48-K70 HydrophobicContact CG-CG 4.37Å
49A96.2Very high94.4Very high8 Ų859.7 Ų59.77%0.06632%0.324CS..EExtended strand (participates in β ladder)trans-138.4167.3171.600000110.2M51 Q69 C72 N90A49-M51 PolarHBondContact O-N 3.12Å; A49-Q69 PolarHBondContact N-O 2.84Å; A49-Q69 PolarHBondContact O-N 2.01Å; A49-C72 HydrophobicContact CB-CB 3.77Å; A49-N90 WeakPolarHBondContact CB-OD1 3.49Å
50C97.3Very high94.3Very high0 Ų056.1 Ų56.10%031%0.314CS..EExtended strand (participates in β ladder)trans-72.3131.5173.8-53.20000109.5C23 C88 C89 C94 N95C23-C50 VanDerWaalsContact CA-SG 3.52Å; C23-C50 HydrophobicContact CB-CB 3.66Å; C23-C50 WeakPolarHBondContact CB-SG 3.49Å; C23-C50 WeakPolarHBondContact SG-CA 3.5Å; C23-C50 WeakPolarHBondContact SG-CB 3.32Å; C23-C50 PolarHBondContact SG-N 3.22Å; C23-C50 CovalentContact SG-SG 2.02Å; C23-C50 PolarHBondContact SG-SG 3.27Å; C50-C88 WeakPolarHBondContact O-CA 3.41Å; C50-C89 WeakPolarHBondContact CB-O 3.43Å; C50-C89 PolarHBondContact N-O 2.93Å; C50-C89 VanDerWaalsContact N-O 3.14Å; C50-C89 PolarHBondContact O-N 3.36Å; C50-C94 WeakPolarHBondContact CB-SG 3.45Å; C50-C94 VanDerWaalsContact SG-SG 3.68Å; C50-N95 HydrophobicContact CB-CB 4.02Å
51M97.2Very high94.2Very high11 Ų1157.1 Ų57.15%0.05431%0.312CS..EExtended strand (participates in β ladder)trans-121.1143.3178.7-174.9-96.3-89.200111.1A49 L53 M66 V67 Q69 C72 T87 N95A49-M51 PolarHBondContact O-N 3.12Å; M51-L53 HydrophobicContact CE-CB 4.29Å; M51-L53 HydrophobicContact SD-CB 3.57Å; M51-L53 VanDerWaalsContact SD-CB 3.57Å; M51-L53 PolarHBondContact SD-N 3.18Å; M51-M66 WeakPolarHBondContact O-CA 3.46Å; M51-V67 HydrophobicContact CB-CG2 4.25Å; M51-V67 HydrophobicContact CE-CG2 3.55Å; M51-V67 PolarHBondContact N-O 2.86Å; M51-V67 PolarHBondContact O-N 3.09Å; M51-V67 VanDerWaalsContact O-N 3.16Å; M51-V67 HydrophobicContact SD-CG2 4.16Å; M51-Q69 HydrophobicContact CB-CB 3.46Å; M51-Q69 VanDerWaalsContact CB-CB 3.46Å; M51-Q69 HydrophobicContact CB-CG 4.23Å; M51-Q69 HydrophobicContact CE-CB 4.29Å; M51-Q69 HydrophobicContact CE-CG 4.2Å; M51-Q69 HydrophobicContact CG-CB 4.07Å; M51-Q69 HydrophobicContact CG-CG 4.31Å; M51-C72 VanDerWaalsContact CB-SG 3.58Å; M51-T87 CarbonylContact C-O 3.54Å; M51-T87 WeakPolarHBondContact CA-O 2.73Å; M51-N95 PolarHBondContact O-ND2 3.4Å; M51-N95 VanDerWaalsContact O-ND2 3.09Å
52L96.1Very high94.1Very high3 Ų358 Ų582%0.01631%0.306CS..EExtended strand (participates in β ladder)trans-122.5118.7164.9176.861.9000108.8K54 Y65 M66 T87 N95 L98L52-K54 HydrophobicContact CG-CG 4.29Å; L52-Y65 CarbonylContact C-O 3.52Å; L52-Y65 WeakPolarHBondContact CA-O 3.4Å; L52-M66 HydrophobicContact CD1-CG 3.64Å; L52-M66 HydrophobicContact CD1-SD 4.49Å; L52-T87 PolarHBondContact N-O 3.05Å; L52-T87 PolarHBondContact O-N 2.98Å; L52-N95 HydrophobicContact CB-CB 4.33Å; L52-L98 HydrophobicContact CD2-CB 3.4Å; L52-L98 VanDerWaalsContact CD2-CB 3.4Å; L52-L98 WeakPolarHBondContact CD2-O 3.32Å
53L95.6Very high93.9Very high22 Ų2258.7 Ų58.712%0.11531%0.308CS..EExtended strand (participates in β ladder)trans-104.1125171.3161.164000108.5M51 I55 S64 Y65 Y84 V85 H86M51-L53 HydrophobicContact CE-CB 4.29Å; M51-L53 HydrophobicContact SD-CB 3.57Å; M51-L53 VanDerWaalsContact SD-CB 3.57Å; M51-L53 PolarHBondContact SD-N 3.18Å; L53-I55 HydrophobicContact CD1-CG1 3.92Å; L53-I55 HydrophobicContact CD2-CD1 4.13Å; L53-I55 HydrophobicContact CD2-CG1 4.24Å; L53-I55 HydrophobicContact CG-CD1 4.41Å; L53-I55 HydrophobicContact CG-CG1 3.99Å; L53-S64 CarbonylContact O-C 3.58Å; L53-S64 WeakPolarHBondContact O-CA 3.44Å; L53-S64 VanDerWaalsContact O-CB 3.27Å; L53-S64 WeakPolarHBondContact O-CB 3.48Å; L53-Y65 HydrophobicContact CD2-CD2 4Å; L53-Y65 HydrophobicContact CD2-CG 4.47Å; L53-Y65 HydrophobicContact CG-CD2 4.34Å; L53-Y65 PolarHBondContact N-O 2.03Å; L53-Y65 PolarHBondContact O-N 2.83Å; L53-Y84 HydrophobicContact CD1-CD1 3.98Å; L53-V85 CarbonylContact C-O 3.59Å; L53-V85 WeakPolarHBondContact CA-O 3.23Å; L53-H86 VanDerWaalsContact CD1-CD2 3.43Å; L53-H86 WeakPolarHBondContact CD1-CD2 3.06Å
54K94.7Very high93.8Very high38 Ų3855.8 Ų55.817%0.16529%0.29CS..EExtended strand (participates in β ladder)trans-111.3127.5170.6-69.6178179.5168.80109.2L52 Y56 L61 V85 L98L52-K54 HydrophobicContact CG-CG 4.29Å; K54-Y56 HydrophobicContact CB-CD2 4.22Å; K54-Y56 HydrophobicContact CB-CE2 3.45Å; K54-Y56 VanDerWaalsContact CB-CE2 3.45Å; K54-Y56 HydrophobicContact CD-CE2 4.37Å; K54-Y56 WeakPolarHBondContact CD-OH 3.39Å; K54-Y56 HydrophobicContact CG-CE2 4.49Å; K54-L61 HydrophobicContact CB-CD1 3.73Å; K54-L61 HydrophobicContact CG-CD1 4.02Å; K54-V85 HydrophobicContact CB-CB 4.42Å; K54-V85 PolarHBondContact N-O 3.25Å; K54-V85 PolarHBondContact O-N 3.07Å; K54-L98 WeakPolarHBondContact CE-O 2.96Å; K54-L98 PolarHBondContact NZ-O 2.87Å; K54-L98 PolarHBondContact NZ-OXT 3.27Å
55I95.1Very high93.8Very high12 Ų1258.4 Ų58.46%0.06230%0.297CS..EExtended strand (participates in β ladder)trans-110.8117.5177.7-55177.1000108.3L53 Q62 I63 Y65 R82 T83 Y84L53-I55 HydrophobicContact CD1-CG1 3.92Å; L53-I55 HydrophobicContact CD2-CD1 4.13Å; L53-I55 HydrophobicContact CD2-CG1 4.24Å; L53-I55 HydrophobicContact CG-CD1 4.41Å; L53-I55 HydrophobicContact CG-CG1 3.99Å; I55-Q62 WeakPolarHBondContact O-CB 3.01Å; I55-Q62 PolarHBondContact O-N 3.16Å; I55-I63 HydrophobicContact CB-CG1 3.95Å; I55-I63 HydrophobicContact CD1-CD1 3.95Å; I55-I63 HydrophobicContact CD1-CG1 3.88Å; I55-I63 HydrophobicContact CG1-CG1 4.25Å; I55-I63 PolarHBondContact N-O 2.82Å; I55-I63 PolarHBondContact O-N 2.86Å; I55-Y65 HydrophobicContact CD1-CD2 4.42Å; I55-Y65 HydrophobicContact CD1-CE2 3.99Å; I55-R82 HydrophobicContact CG2-CB 4.25Å; I55-R82 HydrophobicContact CG2-CG 4.41Å; I55-T83 WeakPolarHBondContact CA-O 3.28Å; I55-Y84 HydrophobicContact CD1-CD1 3.92Å; I55-Y84 HydrophobicContact CD1-CE1 3.52Å; I55-Y84 HydrophobicContact CG1-CD1 3.73Å; I55-Y84 HydrophobicContact CG1-CE1 3.79Å; I55-Y84 HydrophobicContact CG2-CD1 4.46Å; I55-Y84 HydrophobicContact CG2-CE1 4.13Å; I55-Y84 HydrophobicContact CG2-CE2 4.46Å
56Y94.9Very high93.9Very high60 Ų6051.5 Ų51.524%0.23527%0.265CS..EExtended strand (participates in β ladder)trans-105.6151.3179.4-63.8-93.9000110.8K54 T60 L61 R82 T83 V85K54-Y56 HydrophobicContact CB-CD2 4.22Å; K54-Y56 HydrophobicContact CB-CE2 3.45Å; K54-Y56 VanDerWaalsContact CB-CE2 3.45Å; K54-Y56 HydrophobicContact CD-CE2 4.37Å; K54-Y56 WeakPolarHBondContact CD-OH 3.39Å; K54-Y56 HydrophobicContact CG-CE2 4.49Å; Y56-T60 WeakPolarHBondContact CA-O 3.43Å; Y56-L61 HydrophobicContact CD1-CB 4.07Å; Y56-L61 HydrophobicContact CD1-CD1 4.43Å; Y56-L61 HydrophobicContact CE1-CB 3.79Å; Y56-L61 HydrophobicContact CE1-CD1 4.09Å; Y56-L61 HydrophobicContact CE2-CD1 4.27Å; Y56-R82 CarbonylContact O-C 3.55Å; Y56-R82 WeakPolarHBondContact O-CA 3.36Å; Y56-R82 WeakPolarHBondContact O-CB 3.08Å; Y56-T83 PolarHBondContact N-O 3.34Å; Y56-T83 PolarHBondContact O-N 2.87Å; Y56-V85 HydrophobicContact CD2-CG2 4.11Å; Y56-V85 HydrophobicContact CE2-CB 4.44Å; Y56-V85 HydrophobicContact CE2-CG2 3.94Å
57Q95.6Very high94.1Very high80 Ų8044.4 Ų44.437%0.37424%0.236SC..EExtended strand (participates in β ladder)trans-125.3109.9164.3-175.3175.10.700106.7N59 T60 Q62 N81Q57-N59 PolarHBondContact O-N 3.15Å; Q57-T60 PolarHBondContact N-O 2.78Å; Q57-T60 PolarHBondContact O-N 3.18Å; Q57-Q62 HydrophobicContact CB-CG 3.74Å; Q57-N81 PolarHBondContact NE2-ND2 2.84Å
58G90.8Very high94.3Very high53 Ų5341.2 Ų41.255%0.54622%0.221SC..THydrogen-bonded Turntrans57.5-130.8-160.300000110.5T60G58-T60 VanDerWaalsContact C-N 3.35Å
59N88.5Confident94.4Very high167 Ų16742.1 Ų42.189%0.89323%0.225SC*.THydrogen-bonded Turntrans-90.35.7178.3-72.539.6000113.9Q57Q57-N59 PolarHBondContact O-N 3.15Å
60T91.4Very high94.4Very high67 Ų6746.7 Ų46.741%0.41124%0.243SC..EExtended strand (participates in β ladder)trans-101.4121.4-175.8-57.20000111Y56 Q57 G58 Q62Y56-T60 WeakPolarHBondContact CA-O 3.43Å; Q57-T60 PolarHBondContact N-O 2.78Å; Q57-T60 PolarHBondContact O-N 3.18Å; G58-T60 VanDerWaalsContact C-N 3.35Å; T60-Q62 PolarHBondContact O-N 2.96Å
61L91.2Very high94.2Very high48 Ų4854 Ų5425%0.25128%0.275SS..EExtended strand (participates in β ladder)trans-64.5118.6169.8-179.867.9000109.3K54 Y56K54-L61 HydrophobicContact CB-CD1 3.73Å; K54-L61 HydrophobicContact CG-CD1 4.02Å; Y56-L61 HydrophobicContact CD1-CB 4.07Å; Y56-L61 HydrophobicContact CD1-CD1 4.43Å; Y56-L61 HydrophobicContact CE1-CB 3.79Å; Y56-L61 HydrophobicContact CE1-CD1 4.09Å; Y56-L61 HydrophobicContact CE2-CD1 4.27Å
62Q91.8Very high94.2Very high79 Ų7955 Ų5537%0.36928%0.283SS..EExtended strand (participates in β ladder)trans-87-58.9177.1-63.2-60.1-38.600109.9I55 Q57 T60I55-Q62 WeakPolarHBondContact O-CB 3.01Å; I55-Q62 PolarHBondContact O-N 3.16Å; Q57-Q62 HydrophobicContact CB-CG 3.74Å; T60-Q62 PolarHBondContact O-N 2.96Å
63I92.1Very high94.2Very high41 Ų4164.1 Ų64.121%0.2132%0.318CS..EExtended strand (participates in β ladder)trans-145.9155-175.858.2-176.9000110.8L28 R29 T30 I55 Y65L28-I63 HydrophobicContact CD1-CB 4.27Å; L28-I63 HydrophobicContact CD1-CD1 4.4Å; L28-I63 HydrophobicContact CD1-CG2 3.82Å; R29-I63 CarbonylContact O-C 3.47Å; R29-I63 VanDerWaalsContact O-CA 3.32Å; R29-I63 WeakPolarHBondContact O-CA 3.38Å; T30-I63 HydrophobicContact CG2-CG2 4.39Å; I55-I63 HydrophobicContact CB-CG1 3.95Å; I55-I63 HydrophobicContact CD1-CD1 3.95Å; I55-I63 HydrophobicContact CD1-CG1 3.88Å; I55-I63 HydrophobicContact CG1-CG1 4.25Å; I55-I63 PolarHBondContact N-O 2.82Å; I55-I63 PolarHBondContact O-N 2.86Å; I63-Y65 HydrophobicContact CD1-CE2 3.61Å; I63-Y65 HydrophobicContact CG1-CE2 3.95Å
64S93.3Very high94.3Very high5 Ų567.8 Ų67.84%0.03534%0.337CS..EExtended strand (participates in β ladder)trans-132.9151.6168.952.30000112.5R29 L53R29-S64 WeakPolarHBondContact CB-OG 3.41Å; R29-S64 PolarHBondContact N-O 3.25Å; R29-S64 PolarHBondContact O-N 3Å; L53-S64 CarbonylContact O-C 3.58Å; L53-S64 WeakPolarHBondContact O-CA 3.44Å; L53-S64 VanDerWaalsContact O-CB 3.27Å; L53-S64 WeakPolarHBondContact O-CB 3.48Å
65Y94.7Very high94.4Very high69 Ų6970.1 Ų70.127%0.27135%0.35SS..EExtended strand (participates in β ladder)trans-124.1139.1178.6-65.2-106.5000109.6C26 H27 L52 L53 I55 I63C26-Y65 CarbonylContact O-C 3.58Å; C26-Y65 VanDerWaalsContact O-CA 3.29Å; C26-Y65 WeakPolarHBondContact O-CA 3.22Å; H27-Y65 HydrophobicContact CB-CD1 4.49Å; H27-Y65 WeakPolarHBondContact O-CD1 2.98Å; H27-Y65 WeakPolarHBondContact O-CE1 3.43Å; L52-Y65 CarbonylContact C-O 3.52Å; L52-Y65 WeakPolarHBondContact CA-O 3.4Å; L53-Y65 HydrophobicContact CD2-CD2 4Å; L53-Y65 HydrophobicContact CD2-CG 4.47Å; L53-Y65 HydrophobicContact CG-CD2 4.34Å; L53-Y65 PolarHBondContact N-O 2.03Å; L53-Y65 PolarHBondContact O-N 2.83Å; I55-Y65 HydrophobicContact CD1-CD2 4.42Å; I55-Y65 HydrophobicContact CD1-CE2 3.99Å; I63-Y65 HydrophobicContact CD1-CE2 3.61Å; I63-Y65 HydrophobicContact CG1-CE2 3.95Å
66M95.6Very high94.5Very high3 Ų374.2 Ų74.22%0.01538%0.375CS..EExtended strand (participates in β ladder)trans-125123174.2-68.3179.9-6700108.1I24 T25 C26 M51 L52 F96I24-M66 HydrophobicContact CG2-CE 3.88Å; I24-M66 HydrophobicContact CG2-SD 4.17Å; I24-M66 CarbonylContact O-C 3.54Å; I24-M66 WeakPolarHBondContact O-CB 3.02Å; T25-M66 CarbonylContact C-O 3.53Å; T25-M66 VanDerWaalsContact CA-O 3.25Å; T25-M66 WeakPolarHBondContact CA-O 3.37Å; C26-M66 HydrophobicContact CB-CB 4.23Å; C26-M66 HydrophobicContact CB-CE 3.32Å; C26-M66 PolarHBondContact N-O 3.34Å; C26-M66 PolarHBondContact O-N 3.31Å; M51-M66 WeakPolarHBondContact O-CA 3.46Å; L52-M66 HydrophobicContact CD1-CG 3.64Å; L52-M66 HydrophobicContact CD1-SD 4.49Å; M66-F96 HydrophobicContact CE-CD2 4.39Å; M66-F96 HydrophobicContact SD-CD2 4.3Å
67V95.9Very high94.6Very high24 Ų2474.8 Ų74.815%0.14538%0.379CS..EExtended strand (participates in β ladder)trans-152.1164.2-176.3-64.50000111.5M51 Q69M51-V67 HydrophobicContact CB-CG2 4.25Å; M51-V67 HydrophobicContact CE-CG2 3.55Å; M51-V67 PolarHBondContact N-O 2.86Å; M51-V67 PolarHBondContact O-N 3.09Å; M51-V67 VanDerWaalsContact O-N 3.16Å; M51-V67 HydrophobicContact SD-CG2 4.16Å; V67-Q69 HydrophobicContact CG2-CB 4.38Å
68C96.7Very high94.6Very high23 Ų2376.4 Ų76.416%0.15539%0.39CS..EExtended strand (participates in β ladder)trans-78.2119.9158.3-67.10000107.6C23 C42C23-C68 VanDerWaalsContact SG-SG 3.67Å; C42-C68 HydrophobicContact CB-CB 4.12Å; C42-C68 WeakPolarHBondContact CB-SG 3.27Å; C42-C68 WeakPolarHBondContact SG-CB 3.35Å; C42-C68 PolarHBondContact SG-N 3Å; C42-C68 CovalentContact SG-SG 2.04Å; C42-C68 PolarHBondContact SG-SG 3.47Å
69Q96.9Very high94.8Very high72 Ų7279.2 Ų79.234%0.33639%0.392SS..EExtended strand (participates in β ladder)trans-117125.8-173.217761.441.800110.1E48 A49 M51 V67 C72E48-Q69 VanDerWaalsContact CA-O 3.28Å; E48-Q69 WeakPolarHBondContact CA-O 3.07Å; A49-Q69 PolarHBondContact N-O 2.84Å; A49-Q69 PolarHBondContact O-N 2.01Å; M51-Q69 HydrophobicContact CB-CB 3.46Å; M51-Q69 VanDerWaalsContact CB-CB 3.46Å; M51-Q69 HydrophobicContact CB-CG 4.23Å; M51-Q69 HydrophobicContact CE-CB 4.29Å; M51-Q69 HydrophobicContact CE-CG 4.2Å; M51-Q69 HydrophobicContact CG-CB 4.07Å; M51-Q69 HydrophobicContact CG-CG 4.31Å; V67-Q69 HydrophobicContact CG2-CB 4.38Å; Q69-C72 HydrophobicContact CB-CB 4.19Å; Q69-C72 HydrophobicContact CG-CB 4.13Å
70K96.3Very high95.1Very high104 Ų10475.2 Ų75.245%0.45239%0.39SS..EExtended strand (participates in β ladder)trans-70.7138.4171-156.8177-174.3174.40111D47 E48 C72D47-K70 HydrophobicContact CB-CG 4.45Å; D47-K70 WeakPolarHBondContact O-CA 3.48Å; E48-K70 HydrophobicContact CG-CB 4.18Å; E48-K70 HydrophobicContact CG-CG 4.37Å; K70-C72 VanDerWaalsContact C-N 3.26Å; K70-C72 PolarHBondContact O-N 3.47Å
71F94.6Very high95.2Very high152 Ų15277 Ų7767%0.66740%0.397SS*.THydrogen-bonded Turntrans53.243.9-179.2-48-62.4000112.5D47 R73D47-F71 HydrophobicContact CB-CD1 4.16Å; D47-F71 HydrophobicContact CB-CE1 3.92Å; D47-F71 PolarHBondContact O-N 2.02Å; F71-R73 PolarHBondContact O-N 3.22Å
72C96.1Very high95.5Very high33 Ų3380.1 Ų80.122%0.22341%0.406CS..  trans-61.6130.4-178-154.50000111A49 M51 Q69 K70 C88A49-C72 HydrophobicContact CB-CB 3.77Å; M51-C72 VanDerWaalsContact CB-SG 3.58Å; Q69-C72 HydrophobicContact CB-CB 4.19Å; Q69-C72 HydrophobicContact CG-CB 4.13Å; K70-C72 VanDerWaalsContact C-N 3.26Å; K70-C72 PolarHBondContact O-N 3.47Å; C72-C88 VanDerWaalsContact CA-SG 3.54Å; C72-C88 HydrophobicContact CB-CB 3.82Å; C72-C88 WeakPolarHBondContact CB-SG 3.13Å; C72-C88 WeakPolarHBondContact SG-CB 3.45Å; C72-C88 CovalentContact SG-SG 2.02Å; C72-C88 PolarHBondContact SG-SG 3.35Å
73R96.1Very high95.8Very high195 Ų19578.2 Ų78.274%0.73640%0.4SS*.  trans-139.1143.3172.6-171.6177.3178.6-179.90.5110.1F71 M75 C88F71-R73 PolarHBondContact O-N 3.22Å; R73-M75 WeakPolarHBondContact O-CG 3.3Å; R73-M75 PolarHBondContact O-N 2.81Å; R73-C88 PolarHBondContact N-SG 2.89Å; R73-C88 PolarHBondContact O-SG 2.86Å
74D97.3Very high96Very high99 Ų9978.1 Ų78.153%0.52940%0.397SS..  trans-66.1123.8169.9-63.6-31.8000109.6H86 T87 C88D74-H86 WeakPolarHBondContact CA-O 3.38Å; D74-T87 WeakPolarHBondContact OD1-CA 3.29Å; D74-C88 PolarHBondContact OD1-N 2.91Å
75M97.1Very high96.2Very high87 Ų8779.5 Ų79.543%0.42941%0.405SS..EExtended strand (participates in β ladder)trans-156.2140.2-177.550.9-170.9-75.700110.8R73 F77 H86R73-M75 WeakPolarHBondContact O-CG 3.3Å; R73-M75 PolarHBondContact O-N 2.81Å; M75-F77 HydrophobicContact CE-CD1 3.7Å; M75-F77 HydrophobicContact CE-CE1 3.79Å; M75-H86 HydrophobicContact CG-CB 3.53Å; M75-H86 PolarHBondContact N-O 2.89Å; M75-H86 WeakPolarHBondContact O-CB 2.98Å; M75-H86 PolarHBondContact O-N 2.86Å
76T97.4Very high96.2Very high97 Ų9778 Ų7860%0.59540%0.4SS*.EExtended strand (participates in β ladder)trans-121.4130.1171.7-60.10000108.2T83 Y84 V85T76-T83 HydrophobicContact CG2-CG2 3.86Å; T76-Y84 CarbonylContact C-O 3.59Å; T76-Y84 VanDerWaalsContact CA-O 3.25Å; T76-Y84 WeakPolarHBondContact CA-O 3Å; T76-V85 HydrophobicContact CG2-CG2 4.06Å
77F96.4Very high96.3Very high73 Ų7379.7 Ų79.732%0.3241%0.411SS..EExtended strand (participates in β ladder)trans-146.2151.7176.864.9-87.3000111.2M75 Y84 H86M75-F77 HydrophobicContact CE-CD1 3.7Å; M75-F77 HydrophobicContact CE-CE1 3.79Å; F77-Y84 HydrophobicContact CD2-CD2 4.19Å; F77-Y84 HydrophobicContact CD2-CG 4.28Å; F77-Y84 HydrophobicContact CE1-CG 4.3Å; F77-Y84 HydrophobicContact CE2-CD1 4.18Å; F77-Y84 AromaticContact CE2-CD2 3.73Å; F77-Y84 HydrophobicContact CE2-CD2 3.73Å; F77-Y84 HydrophobicContact CE2-CE2 4.46Å; F77-Y84 AromaticContact CE2-CG 3.59Å; F77-Y84 HydrophobicContact CE2-CG 3.59Å; F77-Y84 AromaticContact CZ-CD1 3.93Å; F77-Y84 HydrophobicContact CZ-CD1 3.93Å; F77-Y84 HydrophobicContact CZ-CD2 4.24Å; F77-Y84 AromaticContact CZ-CG 3.6Å; F77-Y84 HydrophobicContact CZ-CG 3.6Å; F77-Y84 PolarHBondContact N-O 2.86Å; F77-Y84 PolarHBondContact O-N 3.4Å; F77-H86 AromaticContact CE1-CD2 3.88Å; F77-H86 AromaticContact CE1-NE2 3.55Å
78D96.7Very high96.4Very high113 Ų11379.8 Ų79.860%0.60441%0.413SS*.EExtended strand (participates in β ladder)trans-104.7135.6177.7-63-52.9000110.1R82 T83D78-R82 WeakPolarHBondContact CA-O 2.97Å; D78-T83 WeakPolarHBondContact OD1-CA 3.44Å; D78-T83 WeakPolarHBondContact OD1-CB 3.41Å; D78-T83 VanDerWaalsContact OD1-CG2 3.27Å; D78-T83 WeakPolarHBondContact OD1-CG2 3.13Å; D78-T83 PolarHBondContact OD1-OG1 3.47Å
79L95.3Very high96.3Very high112 Ų11279.5 Ų79.559%0.58641%0.411SS*.EExtended strand (participates in β ladder)trans-136.2109.9174.6-17470000109.1N81 R82 Y84L79-N81 PolarHBondContact O-N 3.3Å; L79-R82 PolarHBondContact N-O 3.24Å; L79-R82 PolarHBondContact O-N 3.48Å; L79-Y84 HydrophobicContact CB-CD2 4.28Å; L79-Y84 HydrophobicContact CB-CE2 3.85Å
80G93.9Very high96.2Very high83 Ų8382.2 Ų82.286%0.85643%0.428SS*.THydrogen-bonded Turntrans66-121.7-174.400000111.4
81N95Very high96.1Very high105 Ų10582.7 Ų82.756%0.56143%0.431SS*.THydrogen-bonded Turntrans-100.219.817867.5-11.4000113.3Q57 L79Q57-N81 PolarHBondContact NE2-ND2 2.84Å; L79-N81 PolarHBondContact O-N 3.3Å
82R96.6Very high96.1Very high114 Ų11479.4 Ų79.443%0.4342%0.421SS..EExtended strand (participates in β ladder)trans-126.2142.2-175.7-67.5175-178.4166.20.4111.8I55 Y56 D78 L79 Y84I55-R82 HydrophobicContact CG2-CB 4.25Å; I55-R82 HydrophobicContact CG2-CG 4.41Å; Y56-R82 CarbonylContact O-C 3.55Å; Y56-R82 WeakPolarHBondContact O-CA 3.36Å; Y56-R82 WeakPolarHBondContact O-CB 3.08Å; D78-R82 WeakPolarHBondContact CA-O 2.97Å; L79-R82 PolarHBondContact N-O 3.24Å; L79-R82 PolarHBondContact O-N 3.48Å; R82-Y84 HydrophobicContact CB-CD2 4.35Å; R82-Y84 HydrophobicContact CB-CE2 3.64Å
83T97.5Very high96Very high39 Ų3983.1 Ų83.124%0.23943%0.431CS..EExtended strand (participates in β ladder)trans-108.2128.4173.8-54.90000109.1I55 Y56 T76 D78 V85I55-T83 WeakPolarHBondContact CA-O 3.28Å; Y56-T83 PolarHBondContact N-O 3.34Å; Y56-T83 PolarHBondContact O-N 2.87Å; T76-T83 HydrophobicContact CG2-CG2 3.86Å; D78-T83 WeakPolarHBondContact OD1-CA 3.44Å; D78-T83 WeakPolarHBondContact OD1-CB 3.41Å; D78-T83 VanDerWaalsContact OD1-CG2 3.27Å; D78-T83 WeakPolarHBondContact OD1-CG2 3.13Å; D78-T83 PolarHBondContact OD1-OG1 3.47Å; T83-V85 HydrophobicContact CG2-CG2 4.25Å
84Y96.9Very high95.9Very high38 Ų3874 Ų7415%0.14940%0.397CS..EExtended strand (participates in β ladder)trans-109.1121.5-179.4-67-107.6000108.3L53 I55 T76 F77 L79 R82L53-Y84 HydrophobicContact CD1-CD1 3.98Å; I55-Y84 HydrophobicContact CD1-CD1 3.92Å; I55-Y84 HydrophobicContact CD1-CE1 3.52Å; I55-Y84 HydrophobicContact CG1-CD1 3.73Å; I55-Y84 HydrophobicContact CG1-CE1 3.79Å; I55-Y84 HydrophobicContact CG2-CD1 4.46Å; I55-Y84 HydrophobicContact CG2-CE1 4.13Å; I55-Y84 HydrophobicContact CG2-CE2 4.46Å; T76-Y84 CarbonylContact C-O 3.59Å; T76-Y84 VanDerWaalsContact CA-O 3.25Å; T76-Y84 WeakPolarHBondContact CA-O 3Å; F77-Y84 HydrophobicContact CD2-CD2 4.19Å; F77-Y84 HydrophobicContact CD2-CG 4.28Å; F77-Y84 HydrophobicContact CE1-CG 4.3Å; F77-Y84 HydrophobicContact CE2-CD1 4.18Å; F77-Y84 AromaticContact CE2-CD2 3.73Å; F77-Y84 HydrophobicContact CE2-CD2 3.73Å; F77-Y84 HydrophobicContact CE2-CE2 4.46Å; F77-Y84 AromaticContact CE2-CG 3.59Å; F77-Y84 HydrophobicContact CE2-CG 3.59Å; F77-Y84 AromaticContact CZ-CD1 3.93Å; F77-Y84 HydrophobicContact CZ-CD1 3.93Å; F77-Y84 HydrophobicContact CZ-CD2 4.24Å; F77-Y84 AromaticContact CZ-CG 3.6Å; F77-Y84 HydrophobicContact CZ-CG 3.6Å; F77-Y84 PolarHBondContact N-O 2.86Å; F77-Y84 PolarHBondContact O-N 3.4Å; L79-Y84 HydrophobicContact CB-CD2 4.28Å; L79-Y84 HydrophobicContact CB-CE2 3.85Å; R82-Y84 HydrophobicContact CB-CD2 4.35Å; R82-Y84 HydrophobicContact CB-CE2 3.64Å
85V96.8Very high95.8Very high35 Ų3569.3 Ų69.321%0.21237%0.372CS..EExtended strand (participates in β ladder)trans-116.7111178.9-176.90000108.2L53 K54 Y56 T76 T83L53-V85 CarbonylContact C-O 3.59Å; L53-V85 WeakPolarHBondContact CA-O 3.23Å; K54-V85 HydrophobicContact CB-CB 4.42Å; K54-V85 PolarHBondContact N-O 3.25Å; K54-V85 PolarHBondContact O-N 3.07Å; Y56-V85 HydrophobicContact CD2-CG2 4.11Å; Y56-V85 HydrophobicContact CE2-CB 4.44Å; Y56-V85 HydrophobicContact CE2-CG2 3.94Å; T76-V85 HydrophobicContact CG2-CG2 4.06Å; T83-V85 HydrophobicContact CG2-CG2 4.25Å
86H96.2Very high95.3Very high36 Ų3670.3 Ų70.317%0.16737%0.374CS..EExtended strand (participates in β ladder)trans-94.8127.8173.1-70.9-149.1000108.9L53 D74 M75 F77L53-H86 VanDerWaalsContact CD1-CD2 3.43Å; L53-H86 WeakPolarHBondContact CD1-CD2 3.06Å; D74-H86 WeakPolarHBondContact CA-O 3.38Å; M75-H86 HydrophobicContact CG-CB 3.53Å; M75-H86 PolarHBondContact N-O 2.89Å; M75-H86 WeakPolarHBondContact O-CB 2.98Å; M75-H86 PolarHBondContact O-N 2.86Å; F77-H86 AromaticContact CE1-CD2 3.88Å; F77-H86 AromaticContact CE1-NE2 3.55Å
87T97.3Very high94Very high40 Ų4073.8 Ų73.825%0.24538%0.384CS..EExtended strand (participates in β ladder)trans-126.6131.7174-50.80000109.5M51 L52 D74 L98M51-T87 CarbonylContact C-O 3.54Å; M51-T87 WeakPolarHBondContact CA-O 2.73Å; L52-T87 PolarHBondContact N-O 3.05Å; L52-T87 PolarHBondContact O-N 2.98Å; D74-T87 WeakPolarHBondContact OD1-CA 3.29Å; T87-L98 HydrophobicContact CG2-CD1 3.82Å; T87-L98 HydrophobicContact CG2-CD2 4.35Å
88C96.8Very high92.2Very high26 Ų2675.5 Ų75.518%0.17640%0.395CS..EExtended strand (participates in β ladder)trans-118144.9-175.1-63.90000111.1C50 C72 R73 D74C50-C88 WeakPolarHBondContact O-CA 3.41Å; C72-C88 VanDerWaalsContact CA-SG 3.54Å; C72-C88 HydrophobicContact CB-CB 3.82Å; C72-C88 WeakPolarHBondContact CB-SG 3.13Å; C72-C88 WeakPolarHBondContact SG-CB 3.45Å; C72-C88 CovalentContact SG-SG 2.02Å; C72-C88 PolarHBondContact SG-SG 3.35Å; R73-C88 PolarHBondContact N-SG 2.89Å; R73-C88 PolarHBondContact O-SG 2.86Å; D74-C88 PolarHBondContact OD1-N 2.91Å
89C95.8Very high92Very high17 Ų1773.6 Ų73.612%0.11539%0.385CS..EExtended strand (participates in β ladder)trans-153.3152.8178.755.10000112.2C50 C94 L98C50-C89 WeakPolarHBondContact CB-O 3.43Å; C50-C89 PolarHBondContact N-O 2.93Å; C50-C89 VanDerWaalsContact N-O 3.14Å; C50-C89 PolarHBondContact O-N 3.36Å; C89-C94 HydrophobicContact CB-CB 3.67Å; C89-C94 WeakPolarHBondContact CB-SG 3.25Å; C89-C94 PolarHBondContact O-SG 2.79Å; C89-C94 VanDerWaalsContact SG-C 3.56Å; C89-C94 WeakPolarHBondContact SG-CB 3.09Å; C89-C94 CovalentContact SG-SG 2.01Å; C89-C94 PolarHBondContact SG-SG 3.45Å; C89-L98 HydrophobicContact CB-CD1 4.49Å
90N94.5Very high91.9Very high129 Ų12971.6 Ų71.669%0.6937%0.374SS*.  trans-121.836.8-168.2-67.6-22.3000113.3A49A49-N90 WeakPolarHBondContact CB-OD1 3.49Å
91H93.3Very high91.7Very high113 Ų11370.9 Ų70.952%0.52335%0.347SS..SBendtrans-136.2157171.564.3-88.3000110.8L21 Y93 C94L21-H91 WeakPolarHBondContact CD1-O 3.41Å; H91-Y93 PolarHBondContact O-N 2.04Å; H91-C94 VanDerWaalsContact CD2-CB 3.41Å; H91-C94 WeakPolarHBondContact CD2-CB 3.1Å; H91-C94 WeakPolarHBondContact CE1-CB 3.44Å; H91-C94 WeakPolarHBondContact ND1-CB 3.33Å; H91-C94 WeakPolarHBondContact NE2-CB 3.44Å; H91-C94 WeakPolarHBondContact O-CB 3.08Å; H91-C94 PolarHBondContact O-N 2.81Å; H91-C94 PolarHBondContact O-SG 3.46Å
92N94.9Very high91.5Very high84 Ų8468.9 Ų68.945%0.44934%0.335SS..THydrogen-bonded Turntrans-56.8129.3-171.6-69.1-28.9000112Q22 C94Q22-N92 PolarHBondContact N-OD1 3.41Å; Q22-N92 CarbonylContact O-C 3.51Å; Q22-N92 VanDerWaalsContact O-CA 3.3Å; Q22-N92 WeakPolarHBondContact O-CA 3.45Å; N92-C94 PolarHBondContact O-N 3.27Å; N92-C94 VanDerWaalsContact O-N 3.15Å
93Y94.6Very high91.2Very high110 Ų11066.1 Ų66.143%0.43133%0.329SS..THydrogen-bonded Turntrans59.418.2176.8-46.9-65000115.5Q22 I24 A41 H91 N95 F96Q22-Y93 HydrophobicContact CB-CD1 4.3Å; Q22-Y93 HydrophobicContact CB-CE1 3.68Å; Q22-Y93 HydrophobicContact CB-CE2 4.38Å; Q22-Y93 PolarHBondContact O-N 2.95Å; I24-Y93 HydrophobicContact CD1-CD1 3.46Å; I24-Y93 VanDerWaalsContact CD1-CD1 3.46Å; I24-Y93 HydrophobicContact CD1-CE1 4.06Å; I24-Y93 HydrophobicContact CD1-CG 4.28Å; I24-Y93 HydrophobicContact CG1-CD1 3.89Å; I24-Y93 HydrophobicContact CG1-CG 4.47Å; A41-Y93 HydrophobicContact CB-CE1 4.15Å; H91-Y93 PolarHBondContact O-N 2.04Å; Y93-N95 PolarHBondContact O-N 3.41Å; Y93-F96 WeakPolarHBondContact O-CB 3.5Å; Y93-F96 PolarHBondContact O-N 2.85Å
94C94.6Very high90.8Very high4 Ų467.9 Ų67.93%0.02734%0.335CS..G310 helixtrans-59.2-31.1-175.461.70000114.5C50 C89 H91 N92 F96 Q97C50-C94 WeakPolarHBondContact CB-SG 3.45Å; C50-C94 VanDerWaalsContact SG-SG 3.68Å; C89-C94 HydrophobicContact CB-CB 3.67Å; C89-C94 WeakPolarHBondContact CB-SG 3.25Å; C89-C94 PolarHBondContact O-SG 2.79Å; C89-C94 VanDerWaalsContact SG-C 3.56Å; C89-C94 WeakPolarHBondContact SG-CB 3.09Å; C89-C94 CovalentContact SG-SG 2.01Å; C89-C94 PolarHBondContact SG-SG 3.45Å; H91-C94 VanDerWaalsContact CD2-CB 3.41Å; H91-C94 WeakPolarHBondContact CD2-CB 3.1Å; H91-C94 WeakPolarHBondContact CE1-CB 3.44Å; H91-C94 WeakPolarHBondContact ND1-CB 3.33Å; H91-C94 WeakPolarHBondContact NE2-CB 3.44Å; H91-C94 WeakPolarHBondContact O-CB 3.08Å; H91-C94 PolarHBondContact O-N 2.81Å; H91-C94 PolarHBondContact O-SG 3.46Å; N92-C94 PolarHBondContact O-N 3.27Å; N92-C94 VanDerWaalsContact O-N 3.15Å; C94-F96 PolarHBondContact O-N 3.46Å; C94-F96 VanDerWaalsContact O-N 3.16Å; C94-Q97 PolarHBondContact O-N 3.45Å
95N94.2Very high90.4Very high1 Ų170.1 Ų70.11%0.00535%0.348CS..G310 helixtrans-73.9-1.6-177.565.5-22.8000114.2I24 C50 M51 L52 Y93I24-N95 PolarHBondContact N-OD1 3.05Å; I24-N95 PolarHBondContact O-ND2 3.15Å; C50-N95 HydrophobicContact CB-CB 4.02Å; M51-N95 PolarHBondContact O-ND2 3.4Å; M51-N95 VanDerWaalsContact O-ND2 3.09Å; L52-N95 HydrophobicContact CB-CB 4.33Å; Y93-N95 PolarHBondContact O-N 3.41Å
96F87.1Confident89.9Confident107 Ų10772.8 Ų72.847%0.46936%0.359SS..G310 helixtrans-87.3-27.2175.2-169.4-110.4000114I24 M66 Y93 C94I24-F96 HydrophobicContact CB-CB 4.44Å; I24-F96 HydrophobicContact CG1-CB 3.91Å; I24-F96 HydrophobicContact CG1-CD2 4.36Å; I24-F96 HydrophobicContact CG1-CG 4.34Å; I24-F96 HydrophobicContact CG2-CD2 4.2Å; M66-F96 HydrophobicContact CE-CD2 4.39Å; M66-F96 HydrophobicContact SD-CD2 4.3Å; Y93-F96 WeakPolarHBondContact O-CB 3.5Å; Y93-F96 PolarHBondContact O-N 2.85Å; C94-F96 PolarHBondContact O-N 3.46Å; C94-F96 VanDerWaalsContact O-N 3.16Å
97Q69.3Low89.4Confident171 Ų17175.8 Ų75.880%0.79938%0.375SS*.  trans-96.62.2-171.9-64.2-176.2-6.400114C94C94-Q97 PolarHBondContact O-N 3.45Å
98L60Low88.6Confident108 Ų10879.1 Ų79.157%0.56539%0.386SS*.  trans-96.20-169.8-78.6168.7000115.1L52 K54 T87 C89L52-L98 HydrophobicContact CD2-CB 3.4Å; L52-L98 VanDerWaalsContact CD2-CB 3.4Å; L52-L98 WeakPolarHBondContact CD2-O 3.32Å; K54-L98 WeakPolarHBondContact CE-O 2.96Å; K54-L98 PolarHBondContact NZ-O 2.87Å; K54-L98 PolarHBondContact NZ-OXT 3.27Å; T87-L98 HydrophobicContact CG2-CD1 3.82Å; T87-L98 HydrophobicContact CG2-CD2 4.35Å; C89-L98 HydrophobicContact CB-CD1 4.49Å

Retrieved 98 of 98 residues in 54.9 ms (Link to these results)