A0A077Z4A7_TRITR Loading...

Sm protein F

Plays a role in pre-mRNA splicing as a core component of the spliceosomal U1, U2, U4 and U5 small nuclear ribonucleoproteins (snRNPs), the building blocks of the spliceosome.

AlphaFold DB , UniProt , Accession A0A077Z4A7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 86 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
1M48.7Very low88.7Confident241 Ų241104.7 Ų104.7100%1.18760%0.601SS**  0124.70-67.6-176.9-167.100107.3
2S81.9Confident89.3Confident122 Ų122103.8 Ų103.885%0.85359%0.593SS**PPolyproline II helixtrans-70.6128.2173.352.80000109.4
3S87.1Confident89.7Confident98 Ų98100.2 Ų100.269%0.68558%0.578SS**PPolyproline II helixtrans-59.7146.1172.7-60.10000110.5V5S3-V5 PolarHBondContact O-N 2.96Å
4P91.8Very high90.3Very high122 Ų12293.8 Ų93.879%0.79254%0.54SS*.PPolyproline II helixtrans-59.4134.6175.625.7-33.9000110.2
5V93.4Very high90.7Very high101 Ų10192.5 Ų92.561%0.61253%0.53SS*.PPolyproline II helixtrans-96.8117.6178-173.60000108.9S3 P9 F10S3-V5 PolarHBondContact O-N 2.96Å; V5-P9 HydrophobicContact CG1-CB 4.2Å; V5-F10 HydrophobicContact CG1-CB 3.88Å
6N95.1Very high91.1Very high107 Ų10790.1 Ų90.157%0.57253%0.532SS*.PPolyproline II helixtrans-72.7158.1175.8-72.8-38.6000111.4K8 P9 F10N6-K8 PolarHBondContact O-N 2.81Å; N6-P9 HydrophobicContact CB-CG 4.07Å; N6-P9 VanDerWaalsContact O-CD 3.25Å; N6-P9 WeakPolarHBondContact O-CD 3.37Å; N6-F10 WeakPolarHBondContact O-CB 3.49Å; N6-F10 PolarHBondContact O-N 3Å
7P95.9Very high91.5Very high81 Ų8190.9 Ų90.953%0.52653%0.527SS..Hα-helixtrans-57.7-41.1-177-28.536000114.8F10 I11 M40P7-F10 WeakPolarHBondContact O-CB 3.38Å; P7-F10 PolarHBondContact O-N 2.69Å; P7-I11 WeakPolarHBondContact O-CG1 3.42Å; P7-I11 PolarHBondContact O-N 3.06Å; P7-M40 HydrophobicContact CB-CE 4.16Å
8K94.3Very high91.8Very high113 Ų11386.6 Ų86.649%0.49150%0.503SS..Hα-helixtrans-64-53.1178.7-74.6-173178.7-168.60112.1N6 F10 I11 N12N6-K8 PolarHBondContact O-N 2.81Å; K8-F10 VanDerWaalsContact C-N 3.26Å; K8-F10 PolarHBondContact O-N 2.89Å; K8-I11 PolarHBondContact O-N 2.7Å; K8-N12 WeakPolarHBondContact O-CB 3.25Å; K8-N12 VanDerWaalsContact O-CG 3.24Å; K8-N12 PolarHBondContact O-N 3.23Å
9P95Very high92.2Very high72 Ų7282.1 Ų82.147%0.46848%0.476SS..Hα-helixtrans-54.5-39.9170.7-29.133.8000114V5 N6 S13V5-P9 HydrophobicContact CG1-CB 4.2Å; N6-P9 HydrophobicContact CB-CG 4.07Å; N6-P9 VanDerWaalsContact O-CD 3.25Å; N6-P9 WeakPolarHBondContact O-CD 3.37Å; P9-S13 WeakPolarHBondContact O-CB 3.38Å; P9-S13 PolarHBondContact O-N 3.02Å
10F96Very high92.4Very high83 Ų8378.7 Ų78.736%0.36446%0.456SS..Hα-helixtrans-61.5-54.3178.7176.3-106.5000111.9V5 N6 P7 K8 N12 S13 L14 I72V5-F10 HydrophobicContact CG1-CB 3.88Å; N6-F10 WeakPolarHBondContact O-CB 3.49Å; N6-F10 PolarHBondContact O-N 3Å; P7-F10 WeakPolarHBondContact O-CB 3.38Å; P7-F10 PolarHBondContact O-N 2.69Å; K8-F10 VanDerWaalsContact C-N 3.26Å; K8-F10 PolarHBondContact O-N 2.89Å; F10-N12 VanDerWaalsContact C-N 3.31Å; F10-N12 PolarHBondContact O-N 3.03Å; F10-S13 WeakPolarHBondContact O-CB 3.38Å; F10-S13 PolarHBondContact O-N 3.47Å; F10-S13 PolarHBondContact O-OG 3.28Å; F10-L14 HydrophobicContact CD1-CD1 4.42Å; F10-L14 HydrophobicContact CE1-CD1 3.85Å; F10-L14 HydrophobicContact CZ-CD1 3.98Å; F10-L14 PolarHBondContact O-N 3.18Å; F10-I72 HydrophobicContact CE1-CG2 4.26Å
11I96.1Very high92.7Very high12 Ų1274.9 Ų74.96%0.06243%0.434CS..Hα-helixtrans-63.8-39.6-179.2-62.4170.9000110.7P7 K8 S13 L14 L33 T36 M40 L42 I72P7-I11 WeakPolarHBondContact O-CG1 3.42Å; P7-I11 PolarHBondContact O-N 3.06Å; K8-I11 PolarHBondContact O-N 2.7Å; I11-S13 PolarHBondContact O-N 2.79Å; I11-L14 WeakPolarHBondContact O-CB 3.27Å; I11-L14 PolarHBondContact O-N 3.34Å; I11-L33 HydrophobicContact CG2-CD2 4.2Å; I11-T36 HydrophobicContact CG2-CG2 3.82Å; I11-M40 HydrophobicContact CD1-CB 4.39Å; I11-M40 HydrophobicContact CD1-CE 4.27Å; I11-M40 HydrophobicContact CD1-CG 3.93Å; I11-M40 HydrophobicContact CD1-SD 3.7Å; I11-L42 HydrophobicContact CG2-CD2 4.38Å; I11-I72 HydrophobicContact CG1-CG2 4.22Å
12N95.9Very high95.1Very high94 Ų9465.9 Ų65.950%0.50339%0.388SS..Hα-helixtrans-60.4-33.1175.7-72.2-8.4000112.3K8 F10 L14 I15K8-N12 WeakPolarHBondContact O-CB 3.25Å; K8-N12 VanDerWaalsContact O-CG 3.24Å; K8-N12 PolarHBondContact O-N 3.23Å; F10-N12 VanDerWaalsContact C-N 3.31Å; F10-N12 PolarHBondContact O-N 3.03Å; N12-L14 PolarHBondContact O-N 3.13Å; N12-I15 HydrophobicContact CB-CD1 4.49Å; N12-I15 PolarHBondContact O-N 2.65Å
13S95.5Very high95.9Very high57 Ų5760.8 Ų60.840%0.39935%0.352SS..THydrogen-bonded Turntrans-71.2-12.2176.780.90000114.3P9 F10 I11 K17P9-S13 WeakPolarHBondContact O-CB 3.38Å; P9-S13 PolarHBondContact O-N 3.02Å; F10-S13 WeakPolarHBondContact O-CB 3.38Å; F10-S13 PolarHBondContact O-N 3.47Å; F10-S13 PolarHBondContact O-OG 3.28Å; I11-S13 PolarHBondContact O-N 2.79Å; S13-K17 WeakPolarHBondContact O-CD 3.42Å; S13-K17 VanDerWaalsContact O-CE 3.3Å; S13-K17 WeakPolarHBondContact O-CE 3.41Å; S13-K17 PolarHBondContact O-NZ 2.93Å
14L97.1Very high96.4Very high10 Ų1061.6 Ų61.65%0.05234%0.343CS..THydrogen-bonded Turntrans-94.7-8.9177-61.2179000112.9F10 I11 N12 G16 K17 I19 L33 I72F10-L14 HydrophobicContact CD1-CD1 4.42Å; F10-L14 HydrophobicContact CE1-CD1 3.85Å; F10-L14 HydrophobicContact CZ-CD1 3.98Å; F10-L14 PolarHBondContact O-N 3.18Å; I11-L14 WeakPolarHBondContact O-CB 3.27Å; I11-L14 PolarHBondContact O-N 3.34Å; N12-L14 PolarHBondContact O-N 3.13Å; L14-G16 PolarHBondContact O-N 2.92Å; L14-K17 WeakPolarHBondContact O-CB 3.24Å; L14-K17 PolarHBondContact O-N 2.91Å; L14-I19 HydrophobicContact CB-CG2 3.92Å; L14-I19 HydrophobicContact CD1-CG2 4.23Å; L14-I19 HydrophobicContact CG-CG2 4.46Å; L14-L33 HydrophobicContact CB-CD2 3.88Å; L14-I72 HydrophobicContact CD1-CD1 3.77Å; L14-I72 HydrophobicContact CD1-CG1 3.8Å
15I97.3Very high96.5Very high75 Ų7564.5 Ų64.539%0.38534%0.338SS..THydrogen-bonded Turntrans-61131.6177.1-63.1172.8000109N12 K17 L33 T36N12-I15 HydrophobicContact CB-CD1 4.49Å; N12-I15 PolarHBondContact O-N 2.65Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 2.91Å; I15-L33 HydrophobicContact CG1-CD2 4.14Å; I15-L33 HydrophobicContact CG1-CG 4.42Å; I15-T36 HydrophobicContact CD1-CG2 4.45Å
16G96.7Very high96.6Very high54 Ų5461.4 Ų61.456%0.55733%0.327SS*.THydrogen-bonded Turntrans82.4-4.9-175.600000114.9L14 L33L14-G16 PolarHBondContact O-N 2.92Å; G16-L33 PolarHBondContact N-O 3.42Å
17K97.5Very high96.7Very high103 Ų10358.6 Ų58.645%0.44831%0.311SS..SBendtrans-102.6155.5-176.7-61.6-177.3-177.7163.60111.9S13 L14 I15 I19 L33S13-K17 WeakPolarHBondContact O-CD 3.42Å; S13-K17 VanDerWaalsContact O-CE 3.3Å; S13-K17 WeakPolarHBondContact O-CE 3.41Å; S13-K17 PolarHBondContact O-NZ 2.93Å; L14-K17 WeakPolarHBondContact O-CB 3.24Å; L14-K17 PolarHBondContact O-N 2.91Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 2.91Å; K17-I19 PolarHBondContact O-N 2.78Å; K17-L33 PolarHBondContact O-N 3.45Å; K17-L33 VanDerWaalsContact O-N 3.12Å
18P97.6Very high96.8Very high14 Ų1456.9 Ų56.99%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-65.9131.916828.9-34.1000109.7G31 Y32 L75 E77P18-G31 WeakPolarHBondContact CA-O 3.28Å; P18-Y32 HydrophobicContact CB-CD1 4.48Å; P18-Y32 HydrophobicContact CB-CE1 4.22Å; P18-Y32 HydrophobicContact CG-CE1 4.44Å; P18-L75 HydrophobicContact CB-CB 4.02Å; P18-L75 HydrophobicContact CB-CD1 4.16Å; P18-L75 HydrophobicContact CG-CB 4.09Å; P18-L75 PolarHBondContact O-N 2.97Å; P18-E77 WeakPolarHBondContact CD-OE1 3.13Å; P18-E77 HydrophobicContact CG-CG 3.71Å
19I98.1Very high97Very high0 Ų052.6 Ų52.60%028%0.277CS..EExtended strand (participates in β ladder)trans-131162.3-18066.1155.6000111.2L14 K17 V21 K30 G31 L33 L44 I72 R73L14-I19 HydrophobicContact CB-CG2 3.92Å; L14-I19 HydrophobicContact CD1-CG2 4.23Å; L14-I19 HydrophobicContact CG-CG2 4.46Å; K17-I19 PolarHBondContact O-N 2.78Å; I19-V21 HydrophobicContact CD1-CG2 3.4Å; I19-V21 HydrophobicContact CG1-CG2 4.32Å; I19-K30 WeakPolarHBondContact O-CA 3.41Å; I19-G31 WeakPolarHBondContact CG1-O 3.46Å; I19-G31 PolarHBondContact N-O 2.86Å; I19-G31 PolarHBondContact O-N 2.83Å; I19-G31 VanDerWaalsContact O-N 3.13Å; I19-L33 HydrophobicContact CD1-CB 3.98Å; I19-L33 HydrophobicContact CD1-CD1 4.24Å; I19-L33 HydrophobicContact CD1-CG 4.48Å; I19-L33 HydrophobicContact CG1-CB 4.17Å; I19-L33 HydrophobicContact CG2-CB 4.15Å; I19-L44 HydrophobicContact CD1-CD2 3.55Å; I19-L44 HydrophobicContact CG1-CD2 4.02Å; I19-I72 HydrophobicContact CB-CG1 4.43Å; I19-I72 HydrophobicContact CD1-CD1 3.45Å; I19-I72 VanDerWaalsContact CD1-CD1 3.45Å; I19-I72 HydrophobicContact CD1-CG1 3.89Å; I19-I72 HydrophobicContact CG2-CD1 4.48Å; I19-R73 CarbonylContact C-O 3.57Å; I19-R73 VanDerWaalsContact CA-O 3.28Å; I19-R73 WeakPolarHBondContact CA-O 3.34Å; I19-R73 WeakPolarHBondContact CB-O 3.44Å
20I98Very high97.1Very high14 Ų1452.5 Ų52.57%0.07227%0.269CS..EExtended strand (participates in β ladder)trans-120.6129.7162.7-72.5166.9000109.2E28 Y29 K30 I72 R73 L75I20-E28 HydrophobicContact CG2-CB 4.37Å; I20-Y29 CarbonylContact C-O 3.58Å; I20-Y29 WeakPolarHBondContact CA-O 3.44Å; I20-K30 HydrophobicContact CD1-CD 4.47Å; I20-K30 HydrophobicContact CG1-CB 3.96Å; I20-K30 HydrophobicContact CG1-CD 4.5Å; I20-K30 HydrophobicContact CG1-CG 4.05Å; I20-I72 WeakPolarHBondContact O-CA 3.3Å; I20-R73 HydrophobicContact CB-CG 4.02Å; I20-R73 VanDerWaalsContact CD1-CZ 3.47Å; I20-R73 PolarHBondContact N-O 3.45Å; I20-R73 PolarHBondContact O-N 3.42Å; I20-L75 HydrophobicContact CD1-CD1 3.78Å; I20-L75 HydrophobicContact CD1-CD2 3.69Å; I20-L75 HydrophobicContact CD1-CG 3.82Å; I20-L75 HydrophobicContact CG1-CD1 3.7Å; I20-L75 HydrophobicContact CG1-CD2 4.44Å; I20-L75 HydrophobicContact CG1-CG 4.02Å
21V98.2Very high97.2Very high0 Ų048.9 Ų48.90%025%0.254CS..EExtended strand (participates in β ladder)trans-112.2119.5174.7-174.40000108.2I19 L23 E28 Y29 L42 L44 I64 V69 Y71 I72I19-V21 HydrophobicContact CD1-CG2 3.4Å; I19-V21 HydrophobicContact CG1-CG2 4.32Å; V21-L23 HydrophobicContact CG1-CD2 4.25Å; V21-E28 CarbonylContact O-C 3.56Å; V21-E28 WeakPolarHBondContact O-CA 3.47Å; V21-Y29 PolarHBondContact N-O 2.88Å; V21-Y29 PolarHBondContact O-N 2.72Å; V21-L42 HydrophobicContact CB-CD1 4.46Å; V21-L42 HydrophobicContact CG1-CD1 3.93Å; V21-L42 HydrophobicContact CG2-CD1 3.63Å; V21-L44 HydrophobicContact CG2-CD1 4.22Å; V21-I64 HydrophobicContact CB-CD1 4.05Å; V21-I64 HydrophobicContact CG1-CD1 4.02Å; V21-I64 HydrophobicContact CG2-CD1 4.25Å; V21-V69 HydrophobicContact CG1-CG1 4Å; V21-V69 HydrophobicContact CG1-CG2 3.97Å; V21-Y71 WeakPolarHBondContact CA-O 3.21Å; V21-I72 HydrophobicContact CG2-CG1 4.34Å
22K98.1Very high97.3Very high52 Ų5253.2 Ų53.223%0.22627%0.271CS..EExtended strand (participates in β ladder)trans-94.3130.9170.7-172159.8-163140.60109.9E28 L70 Y71K22-E28 HydrophobicContact CB-CG 4.03Å; K22-E28 HydrophobicContact CD-CG 4.04Å; K22-E28 WeakPolarHBondContact CD-OE1 3.44Å; K22-E28 WeakPolarHBondContact CE-OE1 3.38Å; K22-E28 HydrophobicContact CG-CG 3.87Å; K22-E28 IonicContact NZ-OE1 2.72Å; K22-E28 PolarHBondContact NZ-OE1 2.88Å; K22-L70 HydrophobicContact CD-CD2 4.33Å; K22-L70 HydrophobicContact CG-CD2 4.31Å; K22-L70 WeakPolarHBondContact O-CB 3.36Å; K22-L70 PolarHBondContact O-N 3.3Å; K22-Y71 HydrophobicContact CB-CD1 3.98Å; K22-Y71 HydrophobicContact CB-CD2 4.18Å; K22-Y71 HydrophobicContact CB-CE1 3.59Å; K22-Y71 HydrophobicContact CB-CE2 3.76Å; K22-Y71 HydrophobicContact CB-CG 4.25Å; K22-Y71 VanDerWaalsContact CB-CZ 3.45Å; K22-Y71 HydrophobicContact CD-CD1 4.46Å; K22-Y71 HydrophobicContact CD-CE1 3.52Å; K22-Y71 WeakPolarHBondContact CD-OH 2.87Å; K22-Y71 HydrophobicContact CG-CE1 4.07Å; K22-Y71 PolarHBondContact N-O 3.08Å; K22-Y71 PolarHBondContact O-N 3.09Å
23L98.2Very high97.4Very high15 Ų1548.8 Ų48.88%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-85.7156.2171.9-56.8-165000111.2V21 W25 G26 M27 Y29 I64 N68V21-L23 HydrophobicContact CG1-CD2 4.25Å; L23-W25 PolarHBondContact O-N 2.84Å; L23-G26 PolarHBondContact O-N 3.26Å; L23-M27 PolarHBondContact N-O 3.45Å; L23-Y29 HydrophobicContact CD1-CD2 4.09Å; L23-Y29 HydrophobicContact CD1-CE2 3.31Å; L23-Y29 HydrophobicContact CD2-CD2 4.23Å; L23-Y29 HydrophobicContact CD2-CE2 4.27Å; L23-Y29 HydrophobicContact CG-CD2 3.85Å; L23-Y29 HydrophobicContact CG-CE2 3.52Å; L23-I64 HydrophobicContact CD2-CG2 3.81Å; L23-N68 CarbonylContact C-O 3.59Å; L23-N68 VanDerWaalsContact CA-O 3.25Å; L23-N68 WeakPolarHBondContact CA-O 3.4Å; L23-N68 HydrophobicContact CD1-CB 4.42Å; L23-N68 HydrophobicContact CD2-CB 4.13Å
24K97.6Very high97.5Very high114 Ų11449.8 Ų49.850%0.49625%0.248SC..THydrogen-bonded Turntrans-53.9-24.3175.7-71.1173.8-180177.80113.8N67 N68 V69 L70K24-N67 WeakPolarHBondContact CD-O 3.44Å; K24-N67 WeakPolarHBondContact CE-O 3.36Å; K24-N67 PolarHBondContact NZ-O 2.75Å; K24-N68 WeakPolarHBondContact CG-O 3.43Å; K24-N68 PolarHBondContact N-O 3.39Å; K24-V69 WeakPolarHBondContact CE-O 3.21Å; K24-L70 HydrophobicContact CG-CB 4.38Å
25W94.8Very high97.6Very high183 Ų18351.6 Ų51.669%0.69326%0.261SS*.THydrogen-bonded Turntrans-976.6-175.4-42120.1000113.3L23 M27 N68L23-W25 PolarHBondContact O-N 2.84Å; W25-M27 HydrophobicContact CB-CE 3.36Å; W25-M27 HydrophobicContact CG-CE 4.18Å; W25-N68 PolarHBondContact NE1-OD1 3.09Å
26G95.1Very high97.6Very high37 Ų3749.6 Ų49.638%0.38125%0.253SS..SBendtrans100.1-23.1171.500000115.8L23L23-G26 PolarHBondContact O-N 3.26Å
27M97.4Very high97.6Very high48 Ų4850.3 Ų50.324%0.23624%0.243CC..  trans-61.4143.5173.6-69.1145.9-71.400111.3L23 W25 Y29 I51L23-M27 PolarHBondContact N-O 3.45Å; W25-M27 HydrophobicContact CB-CE 3.36Å; W25-M27 HydrophobicContact CG-CE 4.18Å; M27-Y29 HydrophobicContact CB-CE2 3.84Å; M27-I51 HydrophobicContact CG-CG1 4.05Å
28E98Very high97.5Very high44 Ų4451.6 Ų51.621%0.20626%0.255CS..EExtended strand (participates in β ladder)trans-119138.4174.6-69.8179.9-166.500109.9I20 V21 K22 Y50I20-E28 HydrophobicContact CG2-CB 4.37Å; V21-E28 CarbonylContact O-C 3.56Å; V21-E28 WeakPolarHBondContact O-CA 3.47Å; K22-E28 HydrophobicContact CB-CG 4.03Å; K22-E28 HydrophobicContact CD-CG 4.04Å; K22-E28 WeakPolarHBondContact CD-OE1 3.44Å; K22-E28 WeakPolarHBondContact CE-OE1 3.38Å; K22-E28 HydrophobicContact CG-CG 3.87Å; K22-E28 IonicContact NZ-OE1 2.72Å; K22-E28 PolarHBondContact NZ-OE1 2.88Å; E28-Y50 PolarHBondContact N-O 3.03Å; E28-Y50 PolarHBondContact O-N 2.88Å
29Y98.2Very high97.5Very high24 Ų2459.3 Ų59.39%0.09428%0.284CS..EExtended strand (participates in β ladder)trans-118.2122.6177.7-64.7-93.2000108.3I20 V21 L23 M27 T47 E48 E49 L59 I64I20-Y29 CarbonylContact C-O 3.58Å; I20-Y29 WeakPolarHBondContact CA-O 3.44Å; V21-Y29 PolarHBondContact N-O 2.88Å; V21-Y29 PolarHBondContact O-N 2.72Å; L23-Y29 HydrophobicContact CD1-CD2 4.09Å; L23-Y29 HydrophobicContact CD1-CE2 3.31Å; L23-Y29 HydrophobicContact CD2-CD2 4.23Å; L23-Y29 HydrophobicContact CD2-CE2 4.27Å; L23-Y29 HydrophobicContact CG-CD2 3.85Å; L23-Y29 HydrophobicContact CG-CE2 3.52Å; M27-Y29 HydrophobicContact CB-CE2 3.84Å; Y29-T47 HydrophobicContact CD1-CG2 3.78Å; Y29-T47 HydrophobicContact CG-CG2 4.38Å; Y29-E48 WeakPolarHBondContact CA-O 3.37Å; Y29-E49 HydrophobicContact CD1-CB 4.38Å; Y29-E49 HydrophobicContact CE1-CB 4.09Å; Y29-E49 HydrophobicContact CE1-CG 3.9Å; Y29-E49 WeakPolarHBondContact CE1-OE1 3.41Å; Y29-E49 PolarHBondContact OH-OE1 3.49Å; Y29-L59 HydrophobicContact CD1-CD1 3.93Å; Y29-L59 HydrophobicContact CE1-CD1 3.48Å; Y29-L59 VanDerWaalsContact CE1-CD1 3.48Å; Y29-I64 HydrophobicContact CD2-CD1 4.16Å; Y29-I64 HydrophobicContact CG-CD1 3.96Å
30K98Very high97.4Very high70 Ų7062.8 Ų62.830%0.30430%0.301SS..EExtended strand (participates in β ladder)trans-108.9132.8176.4176.8176.9162.4-143.60108.7I19 I20 T47 E48 Y50 L75I19-K30 WeakPolarHBondContact O-CA 3.41Å; I20-K30 HydrophobicContact CD1-CD 4.47Å; I20-K30 HydrophobicContact CG1-CB 3.96Å; I20-K30 HydrophobicContact CG1-CD 4.5Å; I20-K30 HydrophobicContact CG1-CG 4.05Å; K30-T47 CarbonylContact O-C 3.49Å; K30-T47 VanDerWaalsContact O-CA 3.27Å; K30-T47 WeakPolarHBondContact O-CA 3.37Å; K30-E48 HydrophobicContact CB-CB 4.34Å; K30-E48 WeakPolarHBondContact CD-OE2 3.26Å; K30-E48 PolarHBondContact N-O 3.3Å; K30-E48 IonicContact NZ-OE2 3.23Å; K30-E48 PolarHBondContact NZ-OE2 3.03Å; K30-E48 PolarHBondContact O-N 3.41Å; K30-Y50 HydrophobicContact CB-CD2 4.28Å; K30-Y50 HydrophobicContact CB-CE2 3.82Å; K30-Y50 HydrophobicContact CD-CE2 4.16Å; K30-L75 HydrophobicContact CD-CD1 3.92Å; K30-L75 HydrophobicContact CG-CD1 3.74Å
31G97.8Very high97.5Very high6 Ų663.8 Ų63.86%0.06231%0.306CS..EExtended strand (participates in β ladder)trans177.9-177.7179.400000111.8P18 I19 A45P18-G31 WeakPolarHBondContact CA-O 3.28Å; I19-G31 WeakPolarHBondContact CG1-O 3.46Å; I19-G31 PolarHBondContact N-O 2.86Å; I19-G31 PolarHBondContact O-N 2.83Å; I19-G31 VanDerWaalsContact O-N 3.13Å; G31-A45 WeakPolarHBondContact CA-O 3.47Å
32Y98Very high97.5Very high104 Ų10463.9 Ų63.941%0.40831%0.307SS..EExtended strand (participates in β ladder)trans-89127.7175.6-70.2-91.5000110.5P18 L34 L44 A45 H46P18-Y32 HydrophobicContact CB-CD1 4.48Å; P18-Y32 HydrophobicContact CB-CE1 4.22Å; P18-Y32 HydrophobicContact CG-CE1 4.44Å; Y32-L34 PolarHBondContact O-N 3.13Å; Y32-L44 CarbonylContact O-C 3.54Å; Y32-L44 VanDerWaalsContact O-CA 3.26Å; Y32-L44 WeakPolarHBondContact O-CA 3.35Å; Y32-A45 PolarHBondContact N-O 3.36Å; Y32-A45 PolarHBondContact O-N 2.82Å; Y32-H46 HydrophobicContact CD2-CB 4.44Å
33L98.3Very high97.5Very high0 Ų064.3 Ų64.30%031%0.31CS..EExtended strand (participates in β ladder)trans-74.3106.9176.5-177.861000110.5I11 L14 I15 G16 K17 I19 S35 L42 L44 I72I11-L33 HydrophobicContact CG2-CD2 4.2Å; L14-L33 HydrophobicContact CB-CD2 3.88Å; I15-L33 HydrophobicContact CG1-CD2 4.14Å; I15-L33 HydrophobicContact CG1-CG 4.42Å; G16-L33 PolarHBondContact N-O 3.42Å; K17-L33 PolarHBondContact O-N 3.45Å; K17-L33 VanDerWaalsContact O-N 3.12Å; I19-L33 HydrophobicContact CD1-CB 3.98Å; I19-L33 HydrophobicContact CD1-CD1 4.24Å; I19-L33 HydrophobicContact CD1-CG 4.48Å; I19-L33 HydrophobicContact CG1-CB 4.17Å; I19-L33 HydrophobicContact CG2-CB 4.15Å; L33-S35 WeakPolarHBondContact CD1-O 3.21Å; L33-L42 HydrophobicContact CD1-CB 4.12Å; L33-L42 HydrophobicContact CD1-CD2 4.01Å; L33-L44 HydrophobicContact CB-CD2 4.33Å; L33-L44 HydrophobicContact CD1-CD2 3.8Å; L33-I72 HydrophobicContact CD2-CD1 4.27Å
34L98.1Very high97.5Very high79 Ų7963.6 Ų63.641%0.41431%0.306SS..EExtended strand (participates in β ladder)trans-79.2-46.9178.3-65.6-173000112.2Y32 Q43 A45Y32-L34 PolarHBondContact O-N 3.13Å; L34-Q43 HydrophobicContact CB-CB 4.34Å; L34-Q43 HydrophobicContact CB-CG 4.13Å; L34-Q43 HydrophobicContact CD1-CG 4.16Å; L34-Q43 PolarHBondContact N-O 2.83Å; L34-A45 HydrophobicContact CD1-CB 3.85Å; L34-A45 HydrophobicContact CD2-CB 3.76Å; L34-A45 HydrophobicContact CG-CB 3.76Å
35S97.9Very high97.5Very high47 Ų4758.9 Ų58.933%0.32929%0.289SS..EExtended strand (participates in β ladder)trans-157.7162.6-176.576.50000112.1L33 Q43L33-S35 WeakPolarHBondContact CD1-O 3.21Å; S35-Q43 PolarHBondContact O-N 2.82Å; S35-Q43 WeakPolarHBondContact OG-CB 3.49Å; S35-Q43 PolarHBondContact OG-OE1 2.76Å
36T97.9Very high97.6Very high34 Ų3457 Ų5721%0.20929%0.287CS..EExtended strand (participates in β ladder)trans-143.6156.5170.1-167.90000110.4I11 I15 N41I11-T36 HydrophobicContact CG2-CG2 3.82Å; I15-T36 HydrophobicContact CD1-CG2 4.45Å; T36-N41 VanDerWaalsContact CA-O 3.22Å; T36-N41 WeakPolarHBondContact CA-O 3.41Å; T36-N41 WeakPolarHBondContact CB-O 3.4Å; T36-N41 PolarHBondContact OG1-O 2.84Å
37D96.7Very high97.8Very high68 Ų6855.3 Ų55.336%0.36427%0.269SS..  trans-109.1-177.5175.673.16.3000112.5Y39 M40 N41D37-Y39 PolarHBondContact O-N 2.77Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.5Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.25Å; D37-Y39 PolarHBondContact OD1-N 3.19Å; D37-M40 PolarHBondContact O-N 3.12Å; D37-M40 VanDerWaalsContact O-N 3.07Å; D37-M40 PolarHBondContact OD1-N 2.65Å; D37-N41 PolarHBondContact N-O 3.5Å; D37-N41 PolarHBondContact OD1-N 2.82Å; D37-N41 PolarHBondContact OD1-ND2 2.83Å; D37-N41 PolarHBondContact OD2-ND2 2.92Å
38N96Very high97.8Very high131 Ų13155.2 Ų55.270%0.70127%0.268SS*.THydrogen-bonded Turntrans-65.5-17.3178.8-79.1-48.6000114.4
39Y97.2Very high97.8Very high176 Ų17654.9 Ų54.969%0.6927%0.267SS*.THydrogen-bonded Turntrans-92.5-2176.6-62.9-73.2000112.4D37 N41 C66D37-Y39 PolarHBondContact O-N 2.77Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.5Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.25Å; D37-Y39 PolarHBondContact OD1-N 3.19Å; Y39-N41 VanDerWaalsContact C-N 3.32Å; Y39-C66 WeakPolarHBondContact O-CB 3.45Å; Y39-C66 PolarHBondContact O-SG 2.87Å; Y39-C66 VanDerWaalsContact O-SG 3.38Å
40M97Very high97.8Very high73 Ų7356.3 Ų56.336%0.3627%0.272SS..  trans64.433.8-173-50.1176.1-176.400112.8P7 I11 D37 C66P7-M40 HydrophobicContact CB-CE 4.16Å; I11-M40 HydrophobicContact CD1-CB 4.39Å; I11-M40 HydrophobicContact CD1-CE 4.27Å; I11-M40 HydrophobicContact CD1-CG 3.93Å; I11-M40 HydrophobicContact CD1-SD 3.7Å; D37-M40 PolarHBondContact O-N 3.12Å; D37-M40 VanDerWaalsContact O-N 3.07Å; D37-M40 PolarHBondContact OD1-N 2.65Å; M40-C66 HydrophobicContact CB-CB 4.41Å; M40-C66 WeakPolarHBondContact O-CB 3.41Å
41N98.2Very high97.8Very high34 Ų3456.3 Ų56.318%0.18228%0.275CS..  trans-67.5143.8159.1-62-52.9000108.2T36 D37 Y39 L63 I64 R65 C66T36-N41 VanDerWaalsContact CA-O 3.22Å; T36-N41 WeakPolarHBondContact CA-O 3.41Å; T36-N41 WeakPolarHBondContact CB-O 3.4Å; T36-N41 PolarHBondContact OG1-O 2.84Å; D37-N41 PolarHBondContact N-O 3.5Å; D37-N41 PolarHBondContact OD1-N 2.82Å; D37-N41 PolarHBondContact OD1-ND2 2.83Å; D37-N41 PolarHBondContact OD2-ND2 2.92Å; Y39-N41 VanDerWaalsContact C-N 3.32Å; N41-L63 HydrophobicContact CB-CD1 4.42Å; N41-I64 WeakPolarHBondContact CA-O 3.45Å; N41-R65 WeakPolarHBondContact OD1-CA 3.41Å; N41-C66 PolarHBondContact OD1-N 2.9Å
42L98.4Very high97.6Very high3 Ų363.4 Ų63.42%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-121.5127.2-173.2-51.8173.4000109.8I11 V21 L33 L44 L63 I64 V69 I72I11-L42 HydrophobicContact CG2-CD2 4.38Å; V21-L42 HydrophobicContact CB-CD1 4.46Å; V21-L42 HydrophobicContact CG1-CD1 3.93Å; V21-L42 HydrophobicContact CG2-CD1 3.63Å; L33-L42 HydrophobicContact CD1-CB 4.12Å; L33-L42 HydrophobicContact CD1-CD2 4.01Å; L42-L44 HydrophobicContact CB-CD2 4.4Å; L42-L63 CarbonylContact O-C 3.52Å; L42-L63 WeakPolarHBondContact O-CA 3.44Å; L42-I64 HydrophobicContact CB-CB 4.29Å; L42-I64 PolarHBondContact N-O 3.48Å; L42-I64 PolarHBondContact O-N 2.72Å; L42-V69 HydrophobicContact CD1-CG2 4.15Å; L42-I72 HydrophobicContact CD1-CD1 4.28Å; L42-I72 HydrophobicContact CD2-CD1 4.43Å
43Q98.5Very high97.4Very high60 Ų6061.5 Ų61.528%0.2832%0.324SS..EExtended strand (participates in β ladder)trans-100.6120.5169.5-173.8-174.31300108.7L34 S35 E61L34-Q43 HydrophobicContact CB-CB 4.34Å; L34-Q43 HydrophobicContact CB-CG 4.13Å; L34-Q43 HydrophobicContact CD1-CG 4.16Å; L34-Q43 PolarHBondContact N-O 2.83Å; S35-Q43 PolarHBondContact O-N 2.82Å; S35-Q43 WeakPolarHBondContact OG-CB 3.49Å; S35-Q43 PolarHBondContact OG-OE1 2.76Å; Q43-E61 PolarHBondContact NE2-OE1 3.32Å
44L98.4Very high97.3Very high0 Ų068.5 Ų68.50%036%0.356CS..EExtended strand (participates in β ladder)trans-113142.1-179.7-54.7-171.7000111.5I19 V21 Y32 L33 L42 T47 E61 T62 I64I19-L44 HydrophobicContact CD1-CD2 3.55Å; I19-L44 HydrophobicContact CG1-CD2 4.02Å; V21-L44 HydrophobicContact CG2-CD1 4.22Å; Y32-L44 CarbonylContact O-C 3.54Å; Y32-L44 VanDerWaalsContact O-CA 3.26Å; Y32-L44 WeakPolarHBondContact O-CA 3.35Å; L33-L44 HydrophobicContact CB-CD2 4.33Å; L33-L44 HydrophobicContact CD1-CD2 3.8Å; L42-L44 HydrophobicContact CB-CD2 4.4Å; L44-T47 HydrophobicContact CB-CG2 4.45Å; L44-T47 WeakPolarHBondContact CB-OG1 3.5Å; L44-T47 HydrophobicContact CD1-CG2 4.15Å; L44-E61 WeakPolarHBondContact O-CA 3.25Å; L44-T62 PolarHBondContact N-O 3.29Å; L44-T62 PolarHBondContact O-N 2.96Å; L44-I64 HydrophobicContact CD1-CD1 3.65Å; L44-I64 HydrophobicContact CG-CD1 4.36Å
45A98.1Very high97.3Very high16 Ų1669.2 Ų69.213%0.13236%0.36CS..EExtended strand (participates in β ladder)trans-104.4153.8166.700000111.3G31 Y32 L34 T47G31-A45 WeakPolarHBondContact CA-O 3.47Å; Y32-A45 PolarHBondContact N-O 3.36Å; Y32-A45 PolarHBondContact O-N 2.82Å; L34-A45 HydrophobicContact CD1-CB 3.85Å; L34-A45 HydrophobicContact CD2-CB 3.76Å; L34-A45 HydrophobicContact CG-CB 3.76Å; A45-T47 PolarHBondContact O-N 2.93Å
46H97.1Very high97.3Very high144 Ų14469.6 Ų69.667%0.66737%0.366SS*.EExtended strand (participates in β ladder)trans49.944.3179.5-54.8-67.4000112.6Y32 E48 G60Y32-H46 HydrophobicContact CD2-CB 4.44Å; H46-E48 PolarHBondContact O-N 2.62Å; H46-G60 PolarHBondContact N-O 3.01Å
47T98.2Very high97.2Very high0 Ų069.1 Ų69.10%037%0.368CS..EExtended strand (participates in β ladder)trans-73.2124.1-171.8-47.60000110.9Y29 K30 L44 A45 L59 G60 T62Y29-T47 HydrophobicContact CD1-CG2 3.78Å; Y29-T47 HydrophobicContact CG-CG2 4.38Å; K30-T47 CarbonylContact O-C 3.49Å; K30-T47 VanDerWaalsContact O-CA 3.27Å; K30-T47 WeakPolarHBondContact O-CA 3.37Å; L44-T47 HydrophobicContact CB-CG2 4.45Å; L44-T47 WeakPolarHBondContact CB-OG1 3.5Å; L44-T47 HydrophobicContact CD1-CG2 4.15Å; A45-T47 PolarHBondContact O-N 2.93Å; T47-L59 PolarHBondContact O-N 3.01Å; T47-G60 VanDerWaalsContact CB-O 3.24Å; T47-G60 WeakPolarHBondContact CB-O 3.45Å; T47-G60 PolarHBondContact N-O 2.82Å; T47-G60 PolarHBondContact O-N 2.69Å; T47-G60 PolarHBondContact OG1-O 3.39Å; T47-T62 HydrophobicContact CG2-CG2 4.48Å; T47-T62 PolarHBondContact OG1-OG1 3.02Å
48E98.2Very high97.2Very high47 Ų4771.7 Ų71.722%0.2238%0.381CS..EExtended strand (participates in β ladder)trans-102.7130.1169.8-65.9173.1167.900108.7Y29 K30 H46 Y50 L55Y29-E48 WeakPolarHBondContact CA-O 3.37Å; K30-E48 HydrophobicContact CB-CB 4.34Å; K30-E48 WeakPolarHBondContact CD-OE2 3.26Å; K30-E48 PolarHBondContact N-O 3.3Å; K30-E48 IonicContact NZ-OE2 3.23Å; K30-E48 PolarHBondContact NZ-OE2 3.03Å; K30-E48 PolarHBondContact O-N 3.41Å; H46-E48 PolarHBondContact O-N 2.62Å; E48-Y50 HydrophobicContact CB-CD2 4.21Å; E48-Y50 HydrophobicContact CB-CE2 3.52Å; E48-Y50 HydrophobicContact CG-CE2 4.49Å; E48-Y50 WeakPolarHBondContact OE2-CE2 3.4Å; E48-Y50 PolarHBondContact OE2-OH 3.26Å; E48-L55 HydrophobicContact CB-CD1 3.85Å; E48-L55 HydrophobicContact CG-CD1 4.18Å
49E98.3Very high97.3Very high37 Ų3769.2 Ų69.217%0.17337%0.368CS..EExtended strand (participates in β ladder)trans-93.5131.6172.8-176.2176.8-108.200110.3Y29 I51 A56 G57 L59Y29-E49 HydrophobicContact CD1-CB 4.38Å; Y29-E49 HydrophobicContact CE1-CB 4.09Å; Y29-E49 HydrophobicContact CE1-CG 3.9Å; Y29-E49 WeakPolarHBondContact CE1-OE1 3.41Å; Y29-E49 PolarHBondContact OH-OE1 3.49Å; E49-I51 HydrophobicContact CG-CG1 4.29Å; E49-A56 HydrophobicContact CB-CB 4.47Å; E49-A56 HydrophobicContact CG-CB 4.27Å; E49-A56 PolarHBondContact O-N 2.85Å; E49-G57 PolarHBondContact N-O 3Å; E49-G57 PolarHBondContact O-N 3.03Å; E49-L59 HydrophobicContact CB-CD1 3.98Å; E49-L59 HydrophobicContact CB-CG 4.27Å
50Y98.3Very high97.3Very high53 Ų5362.3 Ų62.321%0.20835%0.35CS..EExtended strand (participates in β ladder)trans-118.5125.3176-69.8-102.5000110.2E28 K30 E48 Q54 L55E28-Y50 PolarHBondContact N-O 3.03Å; E28-Y50 PolarHBondContact O-N 2.88Å; K30-Y50 HydrophobicContact CB-CD2 4.28Å; K30-Y50 HydrophobicContact CB-CE2 3.82Å; K30-Y50 HydrophobicContact CD-CE2 4.16Å; E48-Y50 HydrophobicContact CB-CD2 4.21Å; E48-Y50 HydrophobicContact CB-CE2 3.52Å; E48-Y50 HydrophobicContact CG-CE2 4.49Å; E48-Y50 WeakPolarHBondContact OE2-CE2 3.4Å; E48-Y50 PolarHBondContact OE2-OH 3.26Å; Y50-Q54 CarbonylContact C-O 3.56Å; Y50-Q54 VanDerWaalsContact CA-O 3.25Å; Y50-Q54 WeakPolarHBondContact CA-O 3.44Å; Y50-L55 HydrophobicContact CE1-CB 4.26Å; Y50-L55 HydrophobicContact CE2-CD1 4.22Å
51I97.1Very high97.3Very high70 Ų7065.3 Ų65.336%0.35936%0.363SS..EExtended strand (participates in β ladder)trans-119123.6175.6-58.7177.6000107.3M27 E49 G53 Q54 A56M27-I51 HydrophobicContact CG-CG1 4.05Å; E49-I51 HydrophobicContact CG-CG1 4.29Å; I51-G53 PolarHBondContact O-N 3.31Å; I51-Q54 PolarHBondContact N-O 2.97Å; I51-Q54 PolarHBondContact O-N 3.39Å; I51-A56 HydrophobicContact CB-CB 4.25Å; I51-A56 HydrophobicContact CD1-CB 3.71Å; I51-A56 HydrophobicContact CG1-CB 3.75Å
52N94.6Very high97.3Very high156 Ų15665 Ų6583%0.83436%0.363SS*.THydrogen-bonded Turntrans53.335.1-175.8-57.2-37.9000113.5Q54N52-Q54 PolarHBondContact O-N 3.07Å
53G93.1Very high97.3Very high64 Ų6471 Ų7166%0.6639%0.394SS*.THydrogen-bonded Turntrans76.62.2-179.400000115I51I51-G53 PolarHBondContact O-N 3.31Å
54Q97Very high97.2Very high146 Ų14668.7 Ų68.768%0.68238%0.383SS*.EExtended strand (participates in β ladder)trans-104.5141176.6-63.9-176.3-21.400110.5Y50 I51 N52 A56Y50-Q54 CarbonylContact C-O 3.56Å; Y50-Q54 VanDerWaalsContact CA-O 3.25Å; Y50-Q54 WeakPolarHBondContact CA-O 3.44Å; I51-Q54 PolarHBondContact N-O 2.97Å; I51-Q54 PolarHBondContact O-N 3.39Å; N52-Q54 PolarHBondContact O-N 3.07Å; Q54-A56 PolarHBondContact O-N 2.8Å; Q54-A56 VanDerWaalsContact O-N 3.13Å
55L97.3Very high97.2Very high95 Ų9576.8 Ų76.850%0.49741%0.414SS..EExtended strand (participates in β ladder)trans-61.9114173.6-179.867.1000109.2E48 Y50E48-L55 HydrophobicContact CB-CD1 3.85Å; E48-L55 HydrophobicContact CG-CD1 4.18Å; Y50-L55 HydrophobicContact CE1-CB 4.26Å; Y50-L55 HydrophobicContact CE2-CD1 4.22Å
56A97.1Very high97.2Very high55 Ų5577.9 Ų77.946%0.45542%0.42SS..EExtended strand (participates in β ladder)trans-90.3-31.6177.300000111.7E49 I51 Q54E49-A56 HydrophobicContact CB-CB 4.47Å; E49-A56 HydrophobicContact CG-CB 4.27Å; E49-A56 PolarHBondContact O-N 2.85Å; I51-A56 HydrophobicContact CB-CB 4.25Å; I51-A56 HydrophobicContact CD1-CB 3.71Å; I51-A56 HydrophobicContact CG1-CB 3.75Å; Q54-A56 PolarHBondContact O-N 2.8Å; Q54-A56 VanDerWaalsContact O-N 3.13Å
57G96.9Very high97.3Very high24 Ų2474.6 Ų74.625%0.24741%0.408CS..EExtended strand (participates in β ladder)trans172.2173.1176.500000114.7E49E49-G57 PolarHBondContact N-O 3Å; E49-G57 PolarHBondContact O-N 3.03Å
58N97.2Very high97.3Very high121 Ų12176.7 Ų76.765%0.64742%0.419SS*.EExtended strand (participates in β ladder)trans-102.9120.3174.1-65.2-65.5000109.2
59L97.1Very high97.3Very high80 Ų8076 Ų7642%0.41942%0.418SS..EExtended strand (participates in β ladder)trans-100.1-15.8-177.9-57.8-178.7000113.2Y29 T47 E49 E61 T62Y29-L59 HydrophobicContact CD1-CD1 3.93Å; Y29-L59 HydrophobicContact CE1-CD1 3.48Å; Y29-L59 VanDerWaalsContact CE1-CD1 3.48Å; T47-L59 PolarHBondContact O-N 3.01Å; E49-L59 HydrophobicContact CB-CD1 3.98Å; E49-L59 HydrophobicContact CB-CG 4.27Å; L59-E61 PolarHBondContact O-N 3.34Å; L59-T62 WeakPolarHBondContact CB-OG1 3.44Å
60G96.7Very high97.3Very high31 Ų3179.2 Ų79.232%0.3244%0.436SS..EExtended strand (participates in β ladder)trans72.1-124-179.500000111.8H46 T47H46-G60 PolarHBondContact N-O 3.01Å; T47-G60 VanDerWaalsContact CB-O 3.24Å; T47-G60 WeakPolarHBondContact CB-O 3.45Å; T47-G60 PolarHBondContact N-O 2.82Å; T47-G60 PolarHBondContact O-N 2.69Å; T47-G60 PolarHBondContact OG1-O 3.39Å
61E97.4Very high97.2Very high136 Ų13681 Ų8164%0.63644%0.443SS*.EExtended strand (participates in β ladder)trans-80.7125.6176.7-169.2173.6174.800110.4Q43 L44 L59Q43-E61 PolarHBondContact NE2-OE1 3.32Å; L44-E61 WeakPolarHBondContact O-CA 3.25Å; L59-E61 PolarHBondContact O-N 3.34Å
62T97.8Very high97.3Very high27 Ų2778.9 Ų78.917%0.16643%0.432CS..EExtended strand (participates in β ladder)trans-137.7135.1-172.1-61.30000111.4L44 T47 L59 I64L44-T62 PolarHBondContact N-O 3.29Å; L44-T62 PolarHBondContact O-N 2.96Å; T47-T62 HydrophobicContact CG2-CG2 4.48Å; T47-T62 PolarHBondContact OG1-OG1 3.02Å; L59-T62 WeakPolarHBondContact CB-OG1 3.44Å; T62-I64 HydrophobicContact CG2-CG1 4.25Å
63L98.1Very high97.4Very high130 Ų13076.4 Ų76.468%0.68141%0.411SS*.EExtended strand (participates in β ladder)trans-101.3119.3170.417868.9000109.9N41 L42N41-L63 HydrophobicContact CB-CD1 4.42Å; L42-L63 CarbonylContact O-C 3.52Å; L42-L63 WeakPolarHBondContact O-CA 3.44Å
64I98.1Very high97.6Very high10 Ų1074.8 Ų74.85%0.05139%0.394CS..EExtended strand (participates in β ladder)trans-100.6119.9173.7-57178.3000109.3V21 L23 Y29 N41 L42 L44 T62 V69V21-I64 HydrophobicContact CB-CD1 4.05Å; V21-I64 HydrophobicContact CG1-CD1 4.02Å; V21-I64 HydrophobicContact CG2-CD1 4.25Å; L23-I64 HydrophobicContact CD2-CG2 3.81Å; Y29-I64 HydrophobicContact CD2-CD1 4.16Å; Y29-I64 HydrophobicContact CG-CD1 3.96Å; N41-I64 WeakPolarHBondContact CA-O 3.45Å; L42-I64 HydrophobicContact CB-CB 4.29Å; L42-I64 PolarHBondContact N-O 3.48Å; L42-I64 PolarHBondContact O-N 2.72Å; L44-I64 HydrophobicContact CD1-CD1 3.65Å; L44-I64 HydrophobicContact CG-CD1 4.36Å; T62-I64 HydrophobicContact CG2-CG1 4.25Å; I64-V69 HydrophobicContact CG2-CG2 3.84Å
65R98.3Very high97.4Very high170 Ų17070 Ų7064%0.64237%0.373SS*.PPolyproline II helixtrans-72.6131.8174.1-166.8-177.8174.7-178.20.6110.9N41 N67 N68N41-R65 WeakPolarHBondContact OD1-CA 3.41Å; R65-N67 VanDerWaalsContact C-N 3.27Å; R65-N67 WeakPolarHBondContact CD-OD1 3.22Å; R65-N67 WeakPolarHBondContact CG-OD1 3.34Å; R65-N67 PolarHBondContact NE-OD1 2.76Å; R65-N67 PolarHBondContact O-N 3.42Å; R65-N67 VanDerWaalsContact O-N 3.09Å; R65-N68 PolarHBondContact O-N 2.95Å; R65-N68 VanDerWaalsContact O-N 3.08Å
66C97.5Very high96.6Very high39 Ų3974.5 Ų74.526%0.26439%0.392SS..G310 helixtrans-50.8-39.8-171.160.40000114.9Y39 M40 N41 N68 V69Y39-C66 WeakPolarHBondContact O-CB 3.45Å; Y39-C66 PolarHBondContact O-SG 2.87Å; Y39-C66 VanDerWaalsContact O-SG 3.38Å; M40-C66 HydrophobicContact CB-CB 4.41Å; M40-C66 WeakPolarHBondContact O-CB 3.41Å; N41-C66 PolarHBondContact OD1-N 2.9Å; C66-N68 PolarHBondContact O-N 3.08Å; C66-N68 VanDerWaalsContact O-N 3.09Å; C66-V69 PolarHBondContact O-N 2.88Å; C66-V69 VanDerWaalsContact O-N 3.08Å
67N98.2Very high95Very high76 Ų7678.1 Ų78.141%0.40640%0.399SS..G310 helixtrans-68.8-11.3-174.373.1-65.1000113.7K24 R65K24-N67 WeakPolarHBondContact CD-O 3.44Å; K24-N67 WeakPolarHBondContact CE-O 3.36Å; K24-N67 PolarHBondContact NZ-O 2.75Å; R65-N67 VanDerWaalsContact C-N 3.27Å; R65-N67 WeakPolarHBondContact CD-OD1 3.22Å; R65-N67 WeakPolarHBondContact CG-OD1 3.34Å; R65-N67 PolarHBondContact NE-OD1 2.76Å; R65-N67 PolarHBondContact O-N 3.42Å; R65-N67 VanDerWaalsContact O-N 3.09Å
68N98.2Very high92.8Very high44 Ų4481.1 Ų81.124%0.23542%0.422CS..G310 helixtrans-91-16.3175.4-64.8-63.8000113.2L23 K24 W25 R65 C66L23-N68 CarbonylContact C-O 3.59Å; L23-N68 VanDerWaalsContact CA-O 3.25Å; L23-N68 WeakPolarHBondContact CA-O 3.4Å; L23-N68 HydrophobicContact CD1-CB 4.42Å; L23-N68 HydrophobicContact CD2-CB 4.13Å; K24-N68 WeakPolarHBondContact CG-O 3.43Å; K24-N68 PolarHBondContact N-O 3.39Å; W25-N68 PolarHBondContact NE1-OD1 3.09Å; R65-N68 PolarHBondContact O-N 2.95Å; R65-N68 VanDerWaalsContact O-N 3.08Å; C66-N68 PolarHBondContact O-N 3.08Å; C66-N68 VanDerWaalsContact O-N 3.09Å
69V98.2Very high90.2Very high32 Ų3284.2 Ų84.219%0.19443%0.432CS..EExtended strand (participates in β ladder)trans-72.1132-175.1-179.70000110.2V21 K24 L42 I64 C66V21-V69 HydrophobicContact CG1-CG1 4Å; V21-V69 HydrophobicContact CG1-CG2 3.97Å; K24-V69 WeakPolarHBondContact CE-O 3.21Å; L42-V69 HydrophobicContact CD1-CG2 4.15Å; I64-V69 HydrophobicContact CG2-CG2 3.84Å; C66-V69 PolarHBondContact O-N 2.88Å; C66-V69 VanDerWaalsContact O-N 3.08Å
70L98.3Very high87.8Confident105 Ų10589.6 Ų89.655%0.5546%0.455SS..EExtended strand (participates in β ladder)trans-94-52.1168-179.764.4000110.2K22 K24K22-L70 HydrophobicContact CD-CD2 4.33Å; K22-L70 HydrophobicContact CG-CD2 4.31Å; K22-L70 WeakPolarHBondContact O-CB 3.36Å; K22-L70 PolarHBondContact O-N 3.3Å; K24-L70 HydrophobicContact CG-CB 4.38Å
71Y98Very high85.1Confident90 Ų9090.9 Ų90.935%0.35347%0.468SS..EExtended strand (participates in β ladder)trans-151.6164.1171.566.5-107.3000111.6V21 K22 R73V21-Y71 WeakPolarHBondContact CA-O 3.21Å; K22-Y71 HydrophobicContact CB-CD1 3.98Å; K22-Y71 HydrophobicContact CB-CD2 4.18Å; K22-Y71 HydrophobicContact CB-CE1 3.59Å; K22-Y71 HydrophobicContact CB-CE2 3.76Å; K22-Y71 HydrophobicContact CB-CG 4.25Å; K22-Y71 VanDerWaalsContact CB-CZ 3.45Å; K22-Y71 HydrophobicContact CD-CD1 4.46Å; K22-Y71 HydrophobicContact CD-CE1 3.52Å; K22-Y71 WeakPolarHBondContact CD-OH 2.87Å; K22-Y71 HydrophobicContact CG-CE1 4.07Å; K22-Y71 PolarHBondContact N-O 3.08Å; K22-Y71 PolarHBondContact O-N 3.09Å; Y71-R73 HydrophobicContact CE2-CG 4.31Å
72I97.9Very high82.3Confident25 Ų2592.3 Ų92.313%0.12848%0.475CS..EExtended strand (participates in β ladder)trans-125.7139.3169.5178.5172000108.5F10 I11 L14 I19 I20 V21 L33 L42F10-I72 HydrophobicContact CE1-CG2 4.26Å; I11-I72 HydrophobicContact CG1-CG2 4.22Å; L14-I72 HydrophobicContact CD1-CD1 3.77Å; L14-I72 HydrophobicContact CD1-CG1 3.8Å; I19-I72 HydrophobicContact CB-CG1 4.43Å; I19-I72 HydrophobicContact CD1-CD1 3.45Å; I19-I72 VanDerWaalsContact CD1-CD1 3.45Å; I19-I72 HydrophobicContact CD1-CG1 3.89Å; I19-I72 HydrophobicContact CG2-CD1 4.48Å; I20-I72 WeakPolarHBondContact O-CA 3.3Å; V21-I72 HydrophobicContact CG2-CG1 4.34Å; L33-I72 HydrophobicContact CD2-CD1 4.27Å; L42-I72 HydrophobicContact CD1-CD1 4.28Å; L42-I72 HydrophobicContact CD2-CD1 4.43Å
73R97.1Very high79.6Confident104 Ų10499.7 Ų99.739%0.39251%0.51SS..EExtended strand (participates in β ladder)trans-136.7147.3172.165.6178.7-176.787.7-11.1110.9I19 I20 Y71I19-R73 CarbonylContact C-O 3.57Å; I19-R73 VanDerWaalsContact CA-O 3.28Å; I19-R73 WeakPolarHBondContact CA-O 3.34Å; I19-R73 WeakPolarHBondContact CB-O 3.44Å; I20-R73 HydrophobicContact CB-CG 4.02Å; I20-R73 VanDerWaalsContact CD1-CZ 3.47Å; I20-R73 PolarHBondContact N-O 3.45Å; I20-R73 PolarHBondContact O-N 3.42Å; Y71-R73 HydrophobicContact CE2-CG 4.31Å
74G96.5Very high77Confident31 Ų31101.1 Ų101.132%0.3251%0.513SS..EExtended strand (participates in β ladder)trans-66.7145.1164.600000110.4
75L93.5Very high75Confident45 Ų45109.2 Ų109.224%0.23655%0.55CS.*PPolyproline II helixtrans-89127.8156.6-81.3156000106.5P18 I20 K30 E77P18-L75 HydrophobicContact CB-CB 4.02Å; P18-L75 HydrophobicContact CB-CD1 4.16Å; P18-L75 HydrophobicContact CG-CB 4.09Å; P18-L75 PolarHBondContact O-N 2.97Å; I20-L75 HydrophobicContact CD1-CD1 3.78Å; I20-L75 HydrophobicContact CD1-CD2 3.69Å; I20-L75 HydrophobicContact CD1-CG 3.82Å; I20-L75 HydrophobicContact CG1-CD1 3.7Å; I20-L75 HydrophobicContact CG1-CD2 4.44Å; I20-L75 HydrophobicContact CG1-CG 4.02Å; K30-L75 HydrophobicContact CD-CD1 3.92Å; K30-L75 HydrophobicContact CG-CD1 3.74Å; L75-E77 PolarHBondContact O-N 2.74Å
76E81.1Confident73.1Confident189 Ų189115.9 Ų115.988%0.88358%0.578SS**PPolyproline II helixtrans-64.6121.9161-70.8173.2179.600105.8A78E76-A78 PolarHBondContact O-N 3.07Å
77E62.5Low71.9Confident131 Ų131119.7 Ų119.761%0.61259%0.593SS**  trans-58114.9162.5-72.6172.5-174.900104.8P18 L75 E79P18-E77 WeakPolarHBondContact CD-OE1 3.13Å; P18-E77 HydrophobicContact CG-CG 3.71Å; L75-E77 PolarHBondContact O-N 2.74Å; E77-E79 PolarHBondContact O-N 3.19Å
78A50.6Low70.5Confident88 Ų88122 Ų12273%0.72760%0.603SS**  trans-56.5118.516400000104.2E76 E80E76-A78 PolarHBondContact O-N 3.07Å; A78-E80 PolarHBondContact O-N 2.99Å
79E43.4Very low69Low186 Ų186126.3 Ų126.387%0.86962%0.624SS**  trans-42.6115.2170.5-68.9177.1158.400105.6E77 G81E77-E79 PolarHBondContact O-N 3.19Å; E79-G81 PolarHBondContact O-N 3.38Å
80E46Very low67.3Low193 Ų193131.9 Ų131.990%0.90265%0.649SS**  trans-56.997.1170.2-80.5-176.4160.500104.2A78 E82A78-E80 PolarHBondContact O-N 2.99Å; E80-E82 PolarHBondContact O-N 2.87Å
81G40.5Very low65.3Low57 Ų57133.6 Ų133.659%0.58866%0.655SS**  trans-52.1121-177.500000105.8E79 M83E79-G81 PolarHBondContact O-N 3.38Å; G81-M83 VanDerWaalsContact C-N 3.26Å; G81-M83 PolarHBondContact O-N 2.73Å
82E38.9Very low63.2Low167 Ų167136.5 Ų136.578%0.7868%0.675SS**  trans-41.898.4170.2-67.7177.9153.700107.2E80 H84E80-E82 PolarHBondContact O-N 2.87Å; E82-H84 PolarHBondContact O-N 3.44Å
83M41.5Very low60.7Low181 Ų181144.4 Ų144.489%0.89271%0.714SS**  trans-72.679.3164.2-72.1-170.7-174.400104.3G81 E85G81-M83 VanDerWaalsContact C-N 3.26Å; G81-M83 PolarHBondContact O-N 2.73Å; M83-E85 VanDerWaalsContact C-N 3.25Å; M83-E85 PolarHBondContact O-N 3.35Å
84H43.5Very low57.9Low161 Ų161147.5 Ų147.575%0.74574%0.739SS**  trans-59.395.6158.8-107.6-82.3000106.3E82E82-H84 PolarHBondContact O-N 3.44Å
85E56.1Low54.7Low179 Ų179157.3 Ų157.384%0.83677%0.774SS**  trans-63139.1160.4-83.5-175.214800108.8M83M83-E85 VanDerWaalsContact C-N 3.25Å; M83-E85 PolarHBondContact O-N 3.35Å
86Y58.4Low51.1Low310 Ų310167.5 Ų167.5100%1.21682%0.823SS**  trans-53.80-177.3-71.3-92.8000114.6

Retrieved 86 of 86 residues in 128.1 ms (Link to these results)