A0A096MLH6_PAPAN Loading...

Small nuclear ribonucleoprotein 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. Component of both the pre-catalytic spliceosome B complex and activated spliceosome C complexes. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs. As part of the U7 snRNP it is involved in histone 3'-end processing.

AlphaFold DB (P62307), UniProt , Accession A0A096MLH6, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 86 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M56.2Low82.9Confident238 Ų238112.4 Ų112.4100%1.17261%0.614SS**  0116.80-74.3174.4-155.700107.1L3M1-L3 PolarHBondContact O-N 2.76Å
2S71.9Confident83.7Confident121 Ų121112.2 Ų112.285%0.84661%0.612SS**PPolyproline II helixtrans-68.4122.3168.648.40000107.6
3L73.3Confident84.4Confident157 Ų157106.5 Ų106.582%0.82260%0.595SS**PPolyproline II helixtrans-61.2140.1170.3-74.3162.7000108.2M1 L5M1-L3 PolarHBondContact O-N 2.76Å; L3-L5 PolarHBondContact O-N 2.97Å; L3-L5 VanDerWaalsContact O-N 3.07Å
4P79.3Confident85.3Confident107 Ų107100.1 Ų100.170%0.69556%0.559SS**PPolyproline II helixtrans-57.1118.5174.920.8-29.6000109.5N6P4-N6 PolarHBondContact O-N 2.86Å
5L82.3Confident86Confident129 Ų12997.4 Ų97.468%0.67555%0.546SS*.  trans-82106-178.6-174.468.1000109.4L3 F10L3-L5 PolarHBondContact O-N 2.97Å; L3-L5 VanDerWaalsContact O-N 3.07Å; L5-F10 HydrophobicContact CD1-CB 3.97Å; L5-F10 HydrophobicContact CD1-CD2 4.05Å; L5-F10 HydrophobicContact CD1-CG 4.44Å; L5-F10 HydrophobicContact CD2-CB 4.45Å; L5-F10 HydrophobicContact CD2-CD2 3.82Å; L5-F10 HydrophobicContact CD2-CE2 4.38Å; L5-F10 HydrophobicContact CD2-CG 4.28Å; L5-F10 HydrophobicContact CG-CB 4.17Å; L5-F10 HydrophobicContact CG-CD2 4.32Å
6N89.4Confident86.7Confident96 Ų9694.9 Ų94.951%0.51355%0.549SS..  trans-85.6138.4175.5-71-40.7000110.4P4 K8 P9 F10P4-N6 PolarHBondContact O-N 2.86Å; N6-K8 PolarHBondContact O-N 3.2Å; N6-P9 HydrophobicContact CB-CG 3.8Å; N6-P9 WeakPolarHBondContact O-CD 3.42Å; N6-F10 WeakPolarHBondContact O-CB 3.33Å; N6-F10 PolarHBondContact O-N 2.7Å
7P90.1Very high87.3Confident79 Ų7996.1 Ų96.151%0.51355%0.546SS..Hα-helixtrans-59-41.7-175.6-27.834.7000114.8F10 L11 M40P7-F10 WeakPolarHBondContact O-CB 3.46Å; P7-F10 PolarHBondContact O-N 3.14Å; P7-L11 WeakPolarHBondContact O-CG 3.49Å; P7-L11 PolarHBondContact O-N 3.47Å; P7-M40 HydrophobicContact CB-CE 4.27Å
8K89.5Confident87.9Confident151 Ų15191.4 Ų91.466%0.65752%0.52SS*.Hα-helixtrans-64.6-53.1179.4-75.7-178.2-179.8-177.60111.9N6 F10 L11 N12N6-K8 PolarHBondContact O-N 3.2Å; K8-F10 VanDerWaalsContact C-N 3.26Å; K8-F10 PolarHBondContact O-N 3.45Å; K8-L11 PolarHBondContact O-N 2.81Å; K8-N12 WeakPolarHBondContact O-CB 3.5Å; K8-N12 VanDerWaalsContact O-CG 3.24Å; K8-N12 PolarHBondContact O-N 2.98Å; K8-N12 PolarHBondContact O-OD1 2.89Å
9P91.6Very high88.4Confident77 Ų7786.6 Ų86.650%0.549%0.493SS..Hα-helixtrans-55.2-38.1171.2-31.237.7000114.2N6 G13N6-P9 HydrophobicContact CB-CG 3.8Å; N6-P9 WeakPolarHBondContact O-CD 3.42Å; P9-G13 PolarHBondContact O-N 3.04Å
10F93.5Very high88.9Confident71 Ų7183.2 Ų83.231%0.31147%0.473SS..Hα-helixtrans-60.4-52.3176.1174.2-103.8000112L5 N6 P7 K8 N12 G13 L14 I72L5-F10 HydrophobicContact CD1-CB 3.97Å; L5-F10 HydrophobicContact CD1-CD2 4.05Å; L5-F10 HydrophobicContact CD1-CG 4.44Å; L5-F10 HydrophobicContact CD2-CB 4.45Å; L5-F10 HydrophobicContact CD2-CD2 3.82Å; L5-F10 HydrophobicContact CD2-CE2 4.38Å; L5-F10 HydrophobicContact CD2-CG 4.28Å; L5-F10 HydrophobicContact CG-CB 4.17Å; L5-F10 HydrophobicContact CG-CD2 4.32Å; N6-F10 WeakPolarHBondContact O-CB 3.33Å; N6-F10 PolarHBondContact O-N 2.7Å; P7-F10 WeakPolarHBondContact O-CB 3.46Å; P7-F10 PolarHBondContact O-N 3.14Å; K8-F10 VanDerWaalsContact C-N 3.26Å; K8-F10 PolarHBondContact O-N 3.45Å; F10-N12 VanDerWaalsContact C-N 3.34Å; F10-N12 PolarHBondContact O-N 3.2Å; F10-G13 PolarHBondContact O-N 3.32Å; F10-G13 VanDerWaalsContact O-N 3.12Å; F10-L14 HydrophobicContact CD1-CD1 4.26Å; F10-L14 HydrophobicContact CE1-CD1 3.63Å; F10-L14 HydrophobicContact CE2-CD1 4.34Å; F10-L14 HydrophobicContact CZ-CD1 3.69Å; F10-L14 HydrophobicContact CZ-CG 4.45Å; F10-L14 PolarHBondContact O-N 2.81Å; F10-I72 HydrophobicContact CE1-CG2 4.42Å
11L94.7Very high89.4Confident10 Ų1079.2 Ų79.25%0.05245%0.45CS..Hα-helixtrans-63.5-39.7179.5-67.4169.4000112.1P7 K8 G13 L14 T15 V36 M40 M42 I72P7-L11 WeakPolarHBondContact O-CG 3.49Å; P7-L11 PolarHBondContact O-N 3.47Å; K8-L11 PolarHBondContact O-N 2.81Å; L11-G13 VanDerWaalsContact C-N 3.27Å; L11-G13 PolarHBondContact O-N 3.29Å; L11-L14 PolarHBondContact O-N 3.35Å; L11-L14 VanDerWaalsContact O-N 3.11Å; L11-T15 PolarHBondContact O-N 2.84Å; L11-T15 PolarHBondContact O-OG1 3.33Å; L11-V36 HydrophobicContact CD1-CG1 4.21Å; L11-M40 HydrophobicContact CD1-CE 4.19Å; L11-M40 HydrophobicContact CD1-CG 3.97Å; L11-M40 HydrophobicContact CD1-SD 4.09Å; L11-M42 HydrophobicContact CD2-CE 4.32Å; L11-I72 HydrophobicContact CD2-CD1 4.26Å; L11-I72 HydrophobicContact CD2-CG2 3.72Å
12N92Very high91.4Very high110 Ų11069.8 Ų69.859%0.58840%0.402SS*.Hα-helixtrans-61.6-38.2174.7-69.4-5.1000111.5K8 F10 L14 T15K8-N12 WeakPolarHBondContact O-CB 3.5Å; K8-N12 VanDerWaalsContact O-CG 3.24Å; K8-N12 PolarHBondContact O-N 2.98Å; K8-N12 PolarHBondContact O-OD1 2.89Å; F10-N12 VanDerWaalsContact C-N 3.34Å; F10-N12 PolarHBondContact O-N 3.2Å; N12-L14 PolarHBondContact O-N 2.82Å; N12-T15 WeakPolarHBondContact O-CB 3.44Å; N12-T15 PolarHBondContact O-N 3.09Å; N12-T15 PolarHBondContact O-OG1 2.93Å
13G93.9Very high92.6Very high38 Ų3864.9 Ų64.939%0.39237%0.367SS..Hα-helixtrans-68.5-16.7176.800000114.6P9 F10 L11 K17P9-G13 PolarHBondContact O-N 3.04Å; F10-G13 PolarHBondContact O-N 3.32Å; F10-G13 VanDerWaalsContact O-N 3.12Å; L11-G13 VanDerWaalsContact C-N 3.27Å; L11-G13 PolarHBondContact O-N 3.29Å; G13-K17 WeakPolarHBondContact O-CD 3.44Å; G13-K17 WeakPolarHBondContact O-CE 3.33Å; G13-K17 PolarHBondContact O-NZ 3.28Å
14L96.2Very high93.8Very high17 Ų1762.9 Ų62.99%0.08935%0.352CS..Hα-helixtrans-93.2-12.3173.9-65.8-179.7000113.1F10 L11 N12 G16 K17 V19 L33 I72F10-L14 HydrophobicContact CD1-CD1 4.26Å; F10-L14 HydrophobicContact CE1-CD1 3.63Å; F10-L14 HydrophobicContact CE2-CD1 4.34Å; F10-L14 HydrophobicContact CZ-CD1 3.69Å; F10-L14 HydrophobicContact CZ-CG 4.45Å; F10-L14 PolarHBondContact O-N 2.81Å; L11-L14 PolarHBondContact O-N 3.35Å; L11-L14 VanDerWaalsContact O-N 3.11Å; N12-L14 PolarHBondContact O-N 2.82Å; L14-G16 PolarHBondContact O-N 2.81Å; L14-K17 WeakPolarHBondContact O-CB 3.39Å; L14-K17 PolarHBondContact O-N 2.97Å; L14-V19 HydrophobicContact CB-CG1 3.94Å; L14-V19 HydrophobicContact CD1-CG1 4.17Å; L14-V19 HydrophobicContact CD2-CG1 4.4Å; L14-V19 HydrophobicContact CG-CG1 4.4Å; L14-L33 HydrophobicContact CB-CD2 3.73Å; L14-I72 HydrophobicContact CD1-CD1 4.19Å; L14-I72 HydrophobicContact CD1-CG1 4.24Å
15T96.6Very high94.4Very high60 Ų6067 Ų6737%0.36835%0.353SS..THydrogen-bonded Turntrans-64.3132.5180-57.40000110L11 N12 K17 V34L11-T15 PolarHBondContact O-N 2.84Å; L11-T15 PolarHBondContact O-OG1 3.33Å; N12-T15 WeakPolarHBondContact O-CB 3.44Å; N12-T15 PolarHBondContact O-N 3.09Å; N12-T15 PolarHBondContact O-OG1 2.93Å; T15-K17 VanDerWaalsContact C-N 3.3Å; T15-V34 WeakPolarHBondContact CG2-O 3.44Å
16G96.6Very high95Very high57 Ų5762 Ų6259%0.58833%0.334SS*.THydrogen-bonded Turntrans81.1-1.1-173.700000115L14 L33L14-G16 PolarHBondContact O-N 2.81Å; G16-L33 PolarHBondContact N-O 3.37Å
17K97.5Very high95.4Very high115 Ų11560.7 Ų60.750%0.533%0.325SS..SBendtrans-109.2157.3-178.4-61.8-179-177.1165.20111.2G13 L14 T15 V19 L33G13-K17 WeakPolarHBondContact O-CD 3.44Å; G13-K17 WeakPolarHBondContact O-CE 3.33Å; G13-K17 PolarHBondContact O-NZ 3.28Å; L14-K17 WeakPolarHBondContact O-CB 3.39Å; L14-K17 PolarHBondContact O-N 2.97Å; T15-K17 VanDerWaalsContact C-N 3.3Å; K17-V19 PolarHBondContact O-N 3.46Å; K17-L33 PolarHBondContact O-N 3.19Å
18P97.6Very high95.7Very high13 Ų1358.6 Ų58.68%0.08431%0.308CS..EExtended strand (participates in β ladder)trans-67.6134.5171.128-32.6000110.5G31 Y32 V75 E77P18-G31 WeakPolarHBondContact CA-O 3.43Å; P18-Y32 HydrophobicContact CB-CD1 4.48Å; P18-Y32 HydrophobicContact CB-CE1 4.28Å; P18-Y32 HydrophobicContact CG-CE1 4.34Å; P18-V75 HydrophobicContact CB-CB 4.32Å; P18-V75 PolarHBondContact O-N 3.39Å; P18-E77 HydrophobicContact CG-CG 3.46Å; P18-E77 VanDerWaalsContact CG-CG 3.46Å; P18-E77 WeakPolarHBondContact CG-OE1 2.94Å
19V98.2Very high96.1Very high0 Ų052.8 Ų52.80%028%0.282CS..EExtended strand (participates in β ladder)trans-130.6159.7179.6-61.80000109.8L14 K17 V21 K30 G31 L33 L44 I72 R73L14-V19 HydrophobicContact CB-CG1 3.94Å; L14-V19 HydrophobicContact CD1-CG1 4.17Å; L14-V19 HydrophobicContact CD2-CG1 4.4Å; L14-V19 HydrophobicContact CG-CG1 4.4Å; K17-V19 PolarHBondContact O-N 3.46Å; V19-V21 HydrophobicContact CG2-CG2 4.27Å; V19-K30 WeakPolarHBondContact O-CA 3.46Å; V19-G31 WeakPolarHBondContact CG2-O 3.27Å; V19-G31 PolarHBondContact N-O 2.86Å; V19-G31 PolarHBondContact O-N 2.93Å; V19-L33 HydrophobicContact CG1-CB 3.89Å; V19-L33 HydrophobicContact CG1-CD2 4.3Å; V19-L33 HydrophobicContact CG2-CB 3.86Å; V19-L33 HydrophobicContact CG2-CD1 4.48Å; V19-L44 HydrophobicContact CG2-CD2 3.59Å; V19-I72 HydrophobicContact CB-CD1 4.08Å; V19-I72 HydrophobicContact CB-CG1 4.15Å; V19-I72 HydrophobicContact CG1-CD1 4.17Å; V19-I72 HydrophobicContact CG2-CD1 4.13Å; V19-R73 CarbonylContact C-O 3.58Å; V19-R73 VanDerWaalsContact CA-O 3.28Å; V19-R73 WeakPolarHBondContact CA-O 3.08Å; V19-R73 WeakPolarHBondContact CB-O 3.4Å
20M97.8Very high96.5Very high17 Ų1752.3 Ų52.38%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-119.9126.8167.5-175.8162.1-83.500109.3Y29 K30 Y50 I72 R73 V75M20-Y29 CarbonylContact C-O 3.56Å; M20-Y29 WeakPolarHBondContact CA-O 2.91Å; M20-K30 HydrophobicContact CE-CB 3.87Å; M20-K30 HydrophobicContact CE-CD 4.31Å; M20-K30 HydrophobicContact CE-CG 4.23Å; M20-Y50 HydrophobicContact CE-CD2 4.49Å; M20-I72 WeakPolarHBondContact O-CA 3.26Å; M20-R73 HydrophobicContact CB-CG 3.98Å; M20-R73 PolarHBondContact N-O 3.12Å; M20-R73 PolarHBondContact O-N 2.76Å; M20-R73 PolarHBondContact SD-NH2 2.96Å; M20-V75 HydrophobicContact CB-CG2 3.76Å
21V98.2Very high96.7Very high0 Ų049.2 Ų49.20%026%0.26CS..EExtended strand (participates in β ladder)trans-114.2117.6-179.9-176.50000108.8V19 L23 E28 Y29 M42 L44 I64 V69 I72V19-V21 HydrophobicContact CG2-CG2 4.27Å; V21-L23 HydrophobicContact CG1-CD2 4.45Å; V21-E28 WeakPolarHBondContact O-CA 3.34Å; V21-Y29 PolarHBondContact N-O 3.18Å; V21-Y29 PolarHBondContact O-N 3.41Å; V21-M42 HydrophobicContact CG1-SD 4.25Å; V21-M42 HydrophobicContact CG2-SD 3.9Å; V21-L44 HydrophobicContact CG2-CD1 4.14Å; V21-I64 HydrophobicContact CB-CD1 4.08Å; V21-I64 HydrophobicContact CG1-CD1 3.96Å; V21-I64 HydrophobicContact CG2-CD1 4.45Å; V21-V69 HydrophobicContact CG1-CB 4.49Å; V21-V69 HydrophobicContact CG1-CG1 3.91Å; V21-V69 HydrophobicContact CG1-CG2 3.94Å; V21-I72 HydrophobicContact CG2-CB 4.33Å; V21-I72 HydrophobicContact CG2-CD1 4.08Å; V21-I72 HydrophobicContact CG2-CG1 4.01Å
22K98.2Very high96.8Very high40 Ų4053.2 Ų53.217%0.17428%0.275CS..EExtended strand (participates in β ladder)trans-90.3127.8174-175.868.2165.7-169.20109.3G26 E28 L70 Y71K22-G26 VanDerWaalsContact CE-O 3.29Å; K22-G26 WeakPolarHBondContact CE-O 3.48Å; K22-G26 PolarHBondContact NZ-O 2.75Å; K22-E28 HydrophobicContact CB-CG 4.41Å; K22-E28 HydrophobicContact CD-CG 3.23Å; K22-E28 VanDerWaalsContact CD-OE1 3.26Å; K22-E28 WeakPolarHBondContact CD-OE1 3.31Å; K22-E28 WeakPolarHBondContact CE-OE1 3.35Å; K22-E28 HydrophobicContact CG-CG 4.43Å; K22-E28 IonicContact NZ-OE1 2.77Å; K22-E28 PolarHBondContact NZ-OE1 3.44Å; K22-L70 HydrophobicContact CB-CB 4.41Å; K22-L70 HydrophobicContact CG-CB 4.24Å; K22-L70 HydrophobicContact CG-CD2 3.93Å; K22-L70 WeakPolarHBondContact O-CB 3.4Å; K22-L70 PolarHBondContact O-N 3.14Å; K22-Y71 HydrophobicContact CB-CD1 3.76Å; K22-Y71 HydrophobicContact CB-CD2 4.15Å; K22-Y71 HydrophobicContact CB-CE1 3.41Å; K22-Y71 VanDerWaalsContact CB-CE1 3.41Å; K22-Y71 HydrophobicContact CB-CE2 3.82Å; K22-Y71 HydrophobicContact CB-CG 4.11Å; K22-Y71 VanDerWaalsContact CB-CZ 3.43Å; K22-Y71 HydrophobicContact CG-CD1 4.17Å; K22-Y71 HydrophobicContact CG-CE1 3.59Å; K22-Y71 PolarHBondContact N-O 2.82Å; K22-Y71 PolarHBondContact O-N 3.3Å
23L98.1Very high97.1Very high18 Ų1848 Ų489%0.09425%0.248CC..EExtended strand (participates in β ladder)trans-84.1155.1169-59.1-163000111.4V21 W25 G26 M27 Y29 I64 N68V21-L23 HydrophobicContact CG1-CD2 4.45Å; L23-W25 PolarHBondContact O-N 3.11Å; L23-G26 PolarHBondContact O-N 2.82Å; L23-G26 VanDerWaalsContact O-N 3.16Å; L23-M27 HydrophobicContact CD1-CB 4.45Å; L23-M27 PolarHBondContact N-O 3.25Å; L23-Y29 HydrophobicContact CD1-CD2 4.25Å; L23-Y29 HydrophobicContact CD1-CE2 3.47Å; L23-Y29 VanDerWaalsContact CD1-CE2 3.47Å; L23-Y29 HydrophobicContact CD2-CD2 4.35Å; L23-Y29 HydrophobicContact CD2-CE2 4.35Å; L23-Y29 HydrophobicContact CG-CD2 3.99Å; L23-Y29 HydrophobicContact CG-CE2 3.66Å; L23-I64 HydrophobicContact CD2-CG2 3.75Å; L23-N68 CarbonylContact C-O 3.48Å; L23-N68 VanDerWaalsContact CA-O 3.29Å; L23-N68 WeakPolarHBondContact CA-O 3.47Å; L23-N68 HydrophobicContact CD2-CB 4.35Å
24K97.5Very high97.3Very high116 Ų11649.2 Ų49.250%0.50425%0.247SC..THydrogen-bonded Turntrans-56-21.8175.6-70175.4179.5177.90114N67 N68 V69 L70K24-N67 WeakPolarHBondContact CD-O 3.34Å; K24-N67 VanDerWaalsContact CE-O 3.22Å; K24-N67 WeakPolarHBondContact CE-O 3.23Å; K24-N67 PolarHBondContact NZ-O 3.17Å; K24-N68 PolarHBondContact N-O 2.78Å; K24-V69 WeakPolarHBondContact CE-O 3.29Å; K24-L70 HydrophobicContact CG-CB 4.26Å; K24-L70 HydrophobicContact CG-CD1 4.46Å
25W93.7Very high97.4Very high192 Ų19250.9 Ų50.973%0.72726%0.261SS*.THydrogen-bonded Turntrans-100.76.5-174.1-45.6111.1000113.8L23 M27L23-W25 PolarHBondContact O-N 3.11Å; W25-M27 HydrophobicContact CB-SD 3.85Å
26G93.8Very high97.4Very high26 Ų2649.9 Ų49.927%0.26825%0.254SS..SBendtrans104.3-25.1173.700000115K22 L23K22-G26 VanDerWaalsContact CE-O 3.29Å; K22-G26 WeakPolarHBondContact CE-O 3.48Å; K22-G26 PolarHBondContact NZ-O 2.75Å; L23-G26 PolarHBondContact O-N 2.82Å; L23-G26 VanDerWaalsContact O-N 3.16Å
27M97.1Very high97.3Very high67 Ų6750.6 Ų50.633%0.3324%0.244SC..  trans-64.1144.3176.2-5387.2179.600111.7L23 W25 Y29L23-M27 HydrophobicContact CD1-CB 4.45Å; L23-M27 PolarHBondContact N-O 3.25Å; W25-M27 HydrophobicContact CB-SD 3.85Å; M27-Y29 HydrophobicContact CB-CE2 3.88Å
28E98Very high97.1Very high35 Ų3548.6 Ų48.616%0.16426%0.256CS..EExtended strand (participates in β ladder)trans-119.5139.8174.8-76.3171.2-17300109.8V21 K22 E49 Y50V21-E28 WeakPolarHBondContact O-CA 3.34Å; K22-E28 HydrophobicContact CB-CG 4.41Å; K22-E28 HydrophobicContact CD-CG 3.23Å; K22-E28 VanDerWaalsContact CD-OE1 3.26Å; K22-E28 WeakPolarHBondContact CD-OE1 3.31Å; K22-E28 WeakPolarHBondContact CE-OE1 3.35Å; K22-E28 HydrophobicContact CG-CG 4.43Å; K22-E28 IonicContact NZ-OE1 2.77Å; K22-E28 PolarHBondContact NZ-OE1 3.44Å; E28-E49 CarbonylContact O-C 3.6Å; E28-Y50 PolarHBondContact N-O 2.97Å; E28-Y50 PolarHBondContact O-N 2.76Å
29Y98.4Very high97Very high29 Ų2956.6 Ų56.611%0.11429%0.286CS..EExtended strand (participates in β ladder)trans-121.4122.7175.5-63.9-84000109M20 V21 L23 M27 T47 E48 E49 L59 I64M20-Y29 CarbonylContact C-O 3.56Å; M20-Y29 WeakPolarHBondContact CA-O 2.91Å; V21-Y29 PolarHBondContact N-O 3.18Å; V21-Y29 PolarHBondContact O-N 3.41Å; L23-Y29 HydrophobicContact CD1-CD2 4.25Å; L23-Y29 HydrophobicContact CD1-CE2 3.47Å; L23-Y29 VanDerWaalsContact CD1-CE2 3.47Å; L23-Y29 HydrophobicContact CD2-CD2 4.35Å; L23-Y29 HydrophobicContact CD2-CE2 4.35Å; L23-Y29 HydrophobicContact CG-CD2 3.99Å; L23-Y29 HydrophobicContact CG-CE2 3.66Å; M27-Y29 HydrophobicContact CB-CE2 3.88Å; Y29-T47 HydrophobicContact CD1-CG2 3.88Å; Y29-T47 HydrophobicContact CG-CG2 4.34Å; Y29-E48 CarbonylContact C-O 3.57Å; Y29-E48 VanDerWaalsContact CA-O 3.31Å; Y29-E48 WeakPolarHBondContact CA-O 3.43Å; Y29-E49 HydrophobicContact CD1-CB 4.11Å; Y29-E49 HydrophobicContact CD1-CG 4.31Å; Y29-E49 HydrophobicContact CE1-CB 3.79Å; Y29-E49 HydrophobicContact CE1-CG 3.66Å; Y29-E49 WeakPolarHBondContact CE1-OE1 3.41Å; Y29-E49 PolarHBondContact OH-OE1 3.06Å; Y29-L59 HydrophobicContact CD1-CD1 4Å; Y29-L59 HydrophobicContact CE1-CD1 3.51Å; Y29-I64 HydrophobicContact CD2-CD1 3.98Å; Y29-I64 HydrophobicContact CG-CD1 4.06Å
30K98.1Very high96.9Very high68 Ų6860.5 Ų60.530%0.29631%0.306SS..EExtended strand (participates in β ladder)trans-104.2131.5172.3-173.9-175.1171.4-167.60108.2V19 M20 T47 E48 Y50V19-K30 WeakPolarHBondContact O-CA 3.46Å; M20-K30 HydrophobicContact CE-CB 3.87Å; M20-K30 HydrophobicContact CE-CD 4.31Å; M20-K30 HydrophobicContact CE-CG 4.23Å; K30-T47 CarbonylContact O-C 3.58Å; K30-T47 VanDerWaalsContact O-CA 3.25Å; K30-T47 WeakPolarHBondContact O-CA 3.42Å; K30-E48 HydrophobicContact CB-CB 4.39Å; K30-E48 PolarHBondContact N-O 2.64Å; K30-E48 PolarHBondContact O-N 2.92Å; K30-Y50 HydrophobicContact CB-CD2 4.27Å; K30-Y50 HydrophobicContact CB-CE2 3.74Å; K30-Y50 HydrophobicContact CD-CE2 4.2Å
31G98.1Very high96.8Very high5 Ų561.3 Ų61.35%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-176.917417800000111.8P18 V19 A45P18-G31 WeakPolarHBondContact CA-O 3.43Å; V19-G31 WeakPolarHBondContact CG2-O 3.27Å; V19-G31 PolarHBondContact N-O 2.86Å; V19-G31 PolarHBondContact O-N 2.93Å; G31-A45 WeakPolarHBondContact CA-O 3.42Å
32Y98.1Very high96.8Very high94 Ų9461.5 Ų61.537%0.36931%0.311SS..EExtended strand (participates in β ladder)trans-79.1124.2175.2-70.7-86.8000110P18 V34 L44 A45 N46 E77P18-Y32 HydrophobicContact CB-CD1 4.48Å; P18-Y32 HydrophobicContact CB-CE1 4.28Å; P18-Y32 HydrophobicContact CG-CE1 4.34Å; Y32-V34 PolarHBondContact O-N 3.25Å; Y32-V34 VanDerWaalsContact O-N 3.14Å; Y32-L44 CarbonylContact O-C 3.56Å; Y32-L44 VanDerWaalsContact O-CA 3.3Å; Y32-L44 WeakPolarHBondContact O-CA 3.34Å; Y32-A45 PolarHBondContact N-O 2.97Å; Y32-A45 PolarHBondContact O-N 3.33Å; Y32-N46 HydrophobicContact CD2-CB 4.19Å; Y32-E77 VanDerWaalsContact CE1-OE1 3.24Å; Y32-E77 WeakPolarHBondContact CE1-OE1 3.19Å; Y32-E77 PolarHBondContact OH-OE1 2.79Å
33L98.4Very high96.9Very high1 Ų162.1 Ų62.11%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-71.6107.2177.9-174.662.4000110.3L14 G16 K17 V19 V36 M42 L44 I72L14-L33 HydrophobicContact CB-CD2 3.73Å; G16-L33 PolarHBondContact N-O 3.37Å; K17-L33 PolarHBondContact O-N 3.19Å; V19-L33 HydrophobicContact CG1-CB 3.89Å; V19-L33 HydrophobicContact CG1-CD2 4.3Å; V19-L33 HydrophobicContact CG2-CB 3.86Å; V19-L33 HydrophobicContact CG2-CD1 4.48Å; L33-V36 HydrophobicContact CD1-CG2 3.68Å; L33-V36 HydrophobicContact CD2-CG2 3.79Å; L33-V36 HydrophobicContact CG-CG2 4.01Å; L33-M42 HydrophobicContact CD1-CB 4.12Å; L33-M42 HydrophobicContact CD1-CG 4.43Å; L33-L44 HydrophobicContact CB-CD2 4.36Å; L33-L44 HydrophobicContact CD1-CD2 3.76Å; L33-I72 HydrophobicContact CD2-CD1 4.19Å
34V98.1Very high96.9Very high64 Ų6461.3 Ų61.339%0.38831%0.31SS..EExtended strand (participates in β ladder)trans-81.5-50.1-178.5-1790000110.9T15 Y32 Q43 A45T15-V34 WeakPolarHBondContact CG2-O 3.44Å; Y32-V34 PolarHBondContact O-N 3.25Å; Y32-V34 VanDerWaalsContact O-N 3.14Å; V34-Q43 HydrophobicContact CB-CB 4.11Å; V34-Q43 HydrophobicContact CB-CG 3.9Å; V34-Q43 WeakPolarHBondContact CB-O 3.3Å; V34-Q43 HydrophobicContact CG1-CG 4.28Å; V34-Q43 HydrophobicContact CG2-CG 4.3Å; V34-Q43 PolarHBondContact N-O 2.87Å; V34-A45 HydrophobicContact CG2-CB 3.53Å
35S97.1Very high96.9Very high52 Ų5257.1 Ų57.136%0.36430%0.297SS..EExtended strand (participates in β ladder)trans-156155.8-177700000111.8Q43S35-Q43 PolarHBondContact O-N 2.89Å; S35-Q43 WeakPolarHBondContact OG-CB 3.41Å; S35-Q43 PolarHBondContact OG-OE1 3.47Å
36V96.9Very high97.1Very high38 Ų3853.6 Ų53.623%0.2329%0.293CS..EExtended strand (participates in β ladder)trans-136.3133.3173.6-173.40000109.3L11 L33 M40 N41 M42L11-V36 HydrophobicContact CD1-CG1 4.21Å; L33-V36 HydrophobicContact CD1-CG2 3.68Å; L33-V36 HydrophobicContact CD2-CG2 3.79Å; L33-V36 HydrophobicContact CG-CG2 4.01Å; V36-M40 HydrophobicContact CG1-CB 4.37Å; V36-N41 WeakPolarHBondContact CA-O 3.36Å; V36-M42 HydrophobicContact CG1-CG 4.49Å; V36-M42 HydrophobicContact CG2-CG 4.21Å
37D95Very high97.3Very high72 Ų7252.3 Ų52.339%0.38528%0.28SS..  trans-93-178.7177.276.76.8000113.4Y39 M40 N41D37-Y39 PolarHBondContact O-N 3.07Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.25Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.46Å; D37-Y39 PolarHBondContact OD1-N 3.05Å; D37-M40 PolarHBondContact O-N 2.74Å; D37-M40 PolarHBondContact OD1-N 2.77Å; D37-N41 PolarHBondContact N-O 3.35Å; D37-N41 PolarHBondContact OD1-N 2.69Å; D37-N41 PolarHBondContact OD1-ND2 3.3Å; D37-N41 WeakPolarHBondContact OD2-CB 3.25Å; D37-N41 PolarHBondContact OD2-ND2 2.99Å
38G93.8Very high97.4Very high73 Ų7351.3 Ų51.375%0.75327%0.274SS*.THydrogen-bonded Turntrans-64.8-17.1178.700000115.1
39Y95.2Very high97.4Very high182 Ų18251.4 Ų51.471%0.71428%0.275SS*.THydrogen-bonded Turntrans-94.6-3.1175.2-67.5-75.9000112.5D37 N41 C66D37-Y39 PolarHBondContact O-N 3.07Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.25Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.46Å; D37-Y39 PolarHBondContact OD1-N 3.05Å; Y39-N41 VanDerWaalsContact C-N 3.34Å; Y39-C66 WeakPolarHBondContact O-CB 3.29Å; Y39-C66 PolarHBondContact O-SG 3.17Å
40M95Very high97.4Very high82 Ų8252.1 Ų52.140%0.40428%0.278SS..  trans6730.2-171-49.4178.2-17900113.7P7 L11 V36 D37 C66P7-M40 HydrophobicContact CB-CE 4.27Å; L11-M40 HydrophobicContact CD1-CE 4.19Å; L11-M40 HydrophobicContact CD1-CG 3.97Å; L11-M40 HydrophobicContact CD1-SD 4.09Å; V36-M40 HydrophobicContact CG1-CB 4.37Å; D37-M40 PolarHBondContact O-N 2.74Å; D37-M40 PolarHBondContact OD1-N 2.77Å; M40-C66 VanDerWaalsContact C-CB 3.48Å; M40-C66 HydrophobicContact CB-CB 4.15Å; M40-C66 VanDerWaalsContact O-CB 3.27Å; M40-C66 WeakPolarHBondContact O-CB 3.4Å
41N97.1Very high97.3Very high34 Ų3452.1 Ų52.118%0.18228%0.28CS..  trans-70.1138.5161.2-57.6-52.6000108.1V36 D37 Y39 I64 R65 C66V36-N41 WeakPolarHBondContact CA-O 3.36Å; D37-N41 PolarHBondContact N-O 3.35Å; D37-N41 PolarHBondContact OD1-N 2.69Å; D37-N41 PolarHBondContact OD1-ND2 3.3Å; D37-N41 WeakPolarHBondContact OD2-CB 3.25Å; D37-N41 PolarHBondContact OD2-ND2 2.99Å; Y39-N41 VanDerWaalsContact C-N 3.34Å; N41-I64 WeakPolarHBondContact CA-O 3.24Å; N41-R65 VanDerWaalsContact OD1-CA 3.31Å; N41-R65 WeakPolarHBondContact OD1-CA 3.22Å; N41-R65 WeakPolarHBondContact OD1-CG 3.49Å; N41-C66 PolarHBondContact OD1-N 2.93Å
42M98.1Very high97.1Very high4 Ų459.3 Ų59.32%0.0232%0.317CS..EExtended strand (participates in β ladder)trans-122.8127.6-168.8-59.1172.8-177.300110.2L11 V21 L33 V36 L63 I64 V69 I72L11-M42 HydrophobicContact CD2-CE 4.32Å; V21-M42 HydrophobicContact CG1-SD 4.25Å; V21-M42 HydrophobicContact CG2-SD 3.9Å; L33-M42 HydrophobicContact CD1-CB 4.12Å; L33-M42 HydrophobicContact CD1-CG 4.43Å; V36-M42 HydrophobicContact CG1-CG 4.49Å; V36-M42 HydrophobicContact CG2-CG 4.21Å; M42-L63 CarbonylContact O-C 3.59Å; M42-L63 WeakPolarHBondContact O-CA 3.47Å; M42-I64 PolarHBondContact N-O 2.9Å; M42-I64 PolarHBondContact O-N 2.88Å; M42-V69 HydrophobicContact CE-CG1 4.4Å; M42-V69 HydrophobicContact SD-CG2 4.45Å; M42-I72 HydrophobicContact CE-CB 4.09Å; M42-I72 HydrophobicContact CE-CD1 3.99Å; M42-I72 HydrophobicContact CE-CG2 3.89Å; M42-I72 HydrophobicContact SD-CB 4.42Å; M42-I72 HydrophobicContact SD-CD1 3.76Å
43Q98.5Very high96.9Very high53 Ų5357.7 Ų57.725%0.24833%0.329CS..EExtended strand (participates in β ladder)trans-96.2124.1169.3-174.6-175.617.500108.7V34 S35 E61 V62 L63V34-Q43 HydrophobicContact CB-CB 4.11Å; V34-Q43 HydrophobicContact CB-CG 3.9Å; V34-Q43 WeakPolarHBondContact CB-O 3.3Å; V34-Q43 HydrophobicContact CG1-CG 4.28Å; V34-Q43 HydrophobicContact CG2-CG 4.3Å; V34-Q43 PolarHBondContact N-O 2.87Å; S35-Q43 PolarHBondContact O-N 2.89Å; S35-Q43 WeakPolarHBondContact OG-CB 3.41Å; S35-Q43 PolarHBondContact OG-OE1 3.47Å; Q43-E61 PolarHBondContact NE2-OE1 3.14Å; Q43-V62 WeakPolarHBondContact CA-O 3.43Å; Q43-L63 HydrophobicContact CB-CD1 4.43Å
44L98.6Very high96.8Very high0 Ų060.6 Ų60.60%035%0.353CS..EExtended strand (participates in β ladder)trans-113.8139.7176.6-59.3-175.1000110.3V19 V21 Y32 L33 T47 E61 V62 I64V19-L44 HydrophobicContact CG2-CD2 3.59Å; V21-L44 HydrophobicContact CG2-CD1 4.14Å; Y32-L44 CarbonylContact O-C 3.56Å; Y32-L44 VanDerWaalsContact O-CA 3.3Å; Y32-L44 WeakPolarHBondContact O-CA 3.34Å; L33-L44 HydrophobicContact CB-CD2 4.36Å; L33-L44 HydrophobicContact CD1-CD2 3.76Å; L44-T47 HydrophobicContact CB-CG2 4.33Å; L44-T47 WeakPolarHBondContact CB-OG1 3.44Å; L44-T47 HydrophobicContact CD1-CG2 4.1Å; L44-T47 PolarHBondContact O-OG1 3.26Å; L44-E61 WeakPolarHBondContact O-CA 3.43Å; L44-V62 PolarHBondContact N-O 2.94Å; L44-V62 PolarHBondContact O-N 3.44Å; L44-I64 HydrophobicContact CD1-CD1 3.73Å; L44-I64 HydrophobicContact CG-CD1 4.44Å
45A98.4Very high96.7Very high28 Ų2861.6 Ų61.623%0.23136%0.356CS..EExtended strand (participates in β ladder)trans-109.4155.2170.500000110.8G31 Y32 V34 T47 G60G31-A45 WeakPolarHBondContact CA-O 3.42Å; Y32-A45 PolarHBondContact N-O 2.97Å; Y32-A45 PolarHBondContact O-N 3.33Å; V34-A45 HydrophobicContact CG2-CB 3.53Å; A45-T47 PolarHBondContact O-N 2.96Å; A45-G60 CarbonylContact C-O 3.59Å
46N97.5Very high96.6Very high118 Ų11862.4 Ų62.463%0.63136%0.362SS*.EExtended strand (participates in β ladder)trans48.144.2-176.2-57.6-28.3000112.5Y32 G60Y32-N46 HydrophobicContact CD2-CB 4.19Å; N46-G60 PolarHBondContact N-O 3.35Å
47T98.3Very high96.6Very high0 Ų061.7 Ų61.70%036%0.362CS..EExtended strand (participates in β ladder)trans-75.6132.1-170.6-47.60000111.2Y29 K30 L44 A45 L59 G60 V62Y29-T47 HydrophobicContact CD1-CG2 3.88Å; Y29-T47 HydrophobicContact CG-CG2 4.34Å; K30-T47 CarbonylContact O-C 3.58Å; K30-T47 VanDerWaalsContact O-CA 3.25Å; K30-T47 WeakPolarHBondContact O-CA 3.42Å; L44-T47 HydrophobicContact CB-CG2 4.33Å; L44-T47 WeakPolarHBondContact CB-OG1 3.44Å; L44-T47 HydrophobicContact CD1-CG2 4.1Å; L44-T47 PolarHBondContact O-OG1 3.26Å; A45-T47 PolarHBondContact O-N 2.96Å; T47-L59 PolarHBondContact O-N 2.85Å; T47-G60 VanDerWaalsContact CB-O 3.25Å; T47-G60 WeakPolarHBondContact CB-O 3.43Å; T47-G60 PolarHBondContact N-O 2.79Å; T47-G60 PolarHBondContact O-N 3.07Å; T47-G60 PolarHBondContact OG1-O 2.9Å; T47-V62 HydrophobicContact CG2-CB 4.21Å; T47-V62 HydrophobicContact CG2-CG2 3.91Å
48E98.2Very high96.8Very high46 Ų4664.6 Ų64.622%0.21537%0.373CS..EExtended strand (participates in β ladder)trans-109134.7171.1-68.2171.6165.700109.1Y29 K30 Y50 L55 G57 H58Y29-E48 CarbonylContact C-O 3.57Å; Y29-E48 VanDerWaalsContact CA-O 3.31Å; Y29-E48 WeakPolarHBondContact CA-O 3.43Å; K30-E48 HydrophobicContact CB-CB 4.39Å; K30-E48 PolarHBondContact N-O 2.64Å; K30-E48 PolarHBondContact O-N 2.92Å; E48-Y50 HydrophobicContact CB-CD2 4.32Å; E48-Y50 HydrophobicContact CB-CE2 3.68Å; E48-Y50 PolarHBondContact OE2-OH 2.85Å; E48-Y50 VanDerWaalsContact OE2-OH 3.09Å; E48-L55 HydrophobicContact CB-CD1 3.8Å; E48-L55 HydrophobicContact CG-CD1 4.13Å; E48-G57 WeakPolarHBondContact CA-O 3.42Å; E48-H58 WeakPolarHBondContact CG-ND1 3.28Å; E48-H58 IonicContact OE1-CE1 3Å; E48-H58 PolarHBondContact OE1-CE1 2.86Å; E48-H58 IonicContact OE1-ND1 2.71Å
49E98.3Very high96.9Very high37 Ų3765.1 Ų65.117%0.17336%0.358CS..EExtended strand (participates in β ladder)trans-96.9133.9173.4-177.9178.9-10800110.4E28 Y29 I51 S56 G57 L59E28-E49 CarbonylContact O-C 3.6Å; Y29-E49 HydrophobicContact CD1-CB 4.11Å; Y29-E49 HydrophobicContact CD1-CG 4.31Å; Y29-E49 HydrophobicContact CE1-CB 3.79Å; Y29-E49 HydrophobicContact CE1-CG 3.66Å; Y29-E49 WeakPolarHBondContact CE1-OE1 3.41Å; Y29-E49 PolarHBondContact OH-OE1 3.06Å; E49-I51 HydrophobicContact CG-CG1 4.33Å; E49-S56 WeakPolarHBondContact O-CB 3.33Å; E49-S56 PolarHBondContact O-N 3Å; E49-S56 PolarHBondContact OE2-OG 3.06Å; E49-G57 PolarHBondContact N-O 2.9Å; E49-G57 PolarHBondContact O-N 2.75Å; E49-L59 HydrophobicContact CB-CD1 4.02Å; E49-L59 HydrophobicContact CB-CG 4.36Å
50Y98.2Very high97Very high44 Ų4457.8 Ų57.817%0.17334%0.338CS..EExtended strand (participates in β ladder)trans-120.5129.7175-68.4-100.5000110.2M20 E28 K30 E48 A54 L55M20-Y50 HydrophobicContact CE-CD2 4.49Å; E28-Y50 PolarHBondContact N-O 2.97Å; E28-Y50 PolarHBondContact O-N 2.76Å; K30-Y50 HydrophobicContact CB-CD2 4.27Å; K30-Y50 HydrophobicContact CB-CE2 3.74Å; K30-Y50 HydrophobicContact CD-CE2 4.2Å; E48-Y50 HydrophobicContact CB-CD2 4.32Å; E48-Y50 HydrophobicContact CB-CE2 3.68Å; E48-Y50 PolarHBondContact OE2-OH 2.85Å; E48-Y50 VanDerWaalsContact OE2-OH 3.09Å; Y50-A54 CarbonylContact C-O 3.57Å; Y50-A54 VanDerWaalsContact CA-O 3.23Å; Y50-A54 WeakPolarHBondContact CA-O 3.31Å; Y50-L55 HydrophobicContact CD1-CB 4.33Å; Y50-L55 HydrophobicContact CE1-CB 4.01Å; Y50-L55 HydrophobicContact CE1-CD1 4.33Å; Y50-L55 HydrophobicContact CE2-CD1 4.16Å
51I96.9Very high97.1Very high68 Ų6860.6 Ų60.635%0.34935%0.35SS..EExtended strand (participates in β ladder)trans-121.7124.5175.3-57.3177.2000107E49 G53 A54E49-I51 HydrophobicContact CG-CG1 4.33Å; I51-G53 PolarHBondContact O-N 2.99Å; I51-G53 VanDerWaalsContact O-N 3.11Å; I51-A54 PolarHBondContact N-O 2.84Å; I51-A54 PolarHBondContact O-N 3.09Å
52D93.9Very high97.2Very high156 Ų15660.3 Ų60.383%0.83435%0.35SS*.THydrogen-bonded Turntrans51.135.7-177.5-58.4-38.3000113.7A54D52-A54 VanDerWaalsContact C-N 3.26Å; D52-A54 PolarHBondContact O-N 3.34Å
53G92.6Very high97.2Very high60 Ų6066.5 Ų66.562%0.61938%0.382SS*.THydrogen-bonded Turntrans80.6-4.4179.500000115.2I51I51-G53 PolarHBondContact O-N 2.99Å; I51-G53 VanDerWaalsContact O-N 3.11Å
54A96.1Very high97.2Very high62 Ų6264.5 Ų64.551%0.51237%0.373SS..EExtended strand (participates in β ladder)trans-96.4139.3176.100000111.2Y50 I51 D52 S56Y50-A54 CarbonylContact C-O 3.57Å; Y50-A54 VanDerWaalsContact CA-O 3.23Å; Y50-A54 WeakPolarHBondContact CA-O 3.31Å; I51-A54 PolarHBondContact N-O 2.84Å; I51-A54 PolarHBondContact O-N 3.09Å; D52-A54 VanDerWaalsContact C-N 3.26Å; D52-A54 PolarHBondContact O-N 3.34Å; A54-S56 PolarHBondContact O-N 2.72Å
55L96.3Very high97.1Very high85 Ų8572.6 Ų72.645%0.44540%0.404SS..EExtended strand (participates in β ladder)trans-62.8116.5171.8178.966.2000109.3E48 Y50E48-L55 HydrophobicContact CB-CD1 3.8Å; E48-L55 HydrophobicContact CG-CD1 4.13Å; Y50-L55 HydrophobicContact CD1-CB 4.33Å; Y50-L55 HydrophobicContact CE1-CB 4.01Å; Y50-L55 HydrophobicContact CE1-CD1 4.33Å; Y50-L55 HydrophobicContact CE2-CD1 4.16Å
56S96.7Very high97.1Very high69 Ų6973.1 Ų73.148%0.48341%0.405SS..EExtended strand (participates in β ladder)trans-91.6-37.4179.3178.60000111.2E49 A54E49-S56 WeakPolarHBondContact O-CB 3.33Å; E49-S56 PolarHBondContact O-N 3Å; E49-S56 PolarHBondContact OE2-OG 3.06Å; A54-S56 PolarHBondContact O-N 2.72Å
57G96.5Very high97.1Very high23 Ų2371 Ų7124%0.23739%0.393CS..EExtended strand (participates in β ladder)trans173.9173.9177.200000115.3E48 E49E48-G57 WeakPolarHBondContact CA-O 3.42Å; E49-G57 PolarHBondContact N-O 2.9Å; E49-G57 PolarHBondContact O-N 2.75Å
58H97.8Very high97.1Very high133 Ų13373.5 Ų73.562%0.61641%0.407SS*.EExtended strand (participates in β ladder)trans-102.1122.1175.1-59.3-87.3000109.7E48E48-H58 WeakPolarHBondContact CG-ND1 3.28Å; E48-H58 IonicContact OE1-CE1 3Å; E48-H58 PolarHBondContact OE1-CE1 2.86Å; E48-H58 IonicContact OE1-ND1 2.71Å
59L97.1Very high97.1Very high83 Ų8372.4 Ų72.444%0.43540%0.404SS..EExtended strand (participates in β ladder)trans-103.7-17.9-176.8-59.4-178000113.1Y29 T47 E49 E61 V62Y29-L59 HydrophobicContact CD1-CD1 4Å; Y29-L59 HydrophobicContact CE1-CD1 3.51Å; T47-L59 PolarHBondContact O-N 2.85Å; E49-L59 HydrophobicContact CB-CD1 4.02Å; E49-L59 HydrophobicContact CB-CG 4.36Å; L59-E61 PolarHBondContact O-N 2.83Å; L59-V62 HydrophobicContact CB-CG2 3.59Å; L59-V62 HydrophobicContact CD1-CG2 4.02Å; L59-V62 HydrophobicContact CG-CG2 4.49Å
60G96.8Very high97Very high29 Ų2975.7 Ų75.730%0.29942%0.422SS..EExtended strand (participates in β ladder)trans73.7-114.9-177.300000111.5A45 N46 T47A45-G60 CarbonylContact C-O 3.59Å; N46-G60 PolarHBondContact N-O 3.35Å; T47-G60 VanDerWaalsContact CB-O 3.25Å; T47-G60 WeakPolarHBondContact CB-O 3.43Å; T47-G60 PolarHBondContact N-O 2.79Å; T47-G60 PolarHBondContact O-N 3.07Å; T47-G60 PolarHBondContact OG1-O 2.9Å
61E97.7Very high97Very high140 Ų14078.4 Ų78.465%0.65443%0.432SS*.EExtended strand (participates in β ladder)trans-89.7125.2-179.2-168.4174.7178.100111.5Q43 L44 L59Q43-E61 PolarHBondContact NE2-OE1 3.14Å; L44-E61 WeakPolarHBondContact O-CA 3.43Å; L59-E61 PolarHBondContact O-N 2.83Å
62V98.1Very high97Very high28 Ų2876.4 Ų76.417%0.1742%0.422CS..EExtended strand (participates in β ladder)trans-132.5137-176.4177.50000110.3Q43 L44 T47 L59 I64Q43-V62 WeakPolarHBondContact CA-O 3.43Å; L44-V62 PolarHBondContact N-O 2.94Å; L44-V62 PolarHBondContact O-N 3.44Å; T47-V62 HydrophobicContact CG2-CB 4.21Å; T47-V62 HydrophobicContact CG2-CG2 3.91Å; L59-V62 HydrophobicContact CB-CG2 3.59Å; L59-V62 HydrophobicContact CD1-CG2 4.02Å; L59-V62 HydrophobicContact CG-CG2 4.49Å; V62-I64 HydrophobicContact CG1-CG1 3.85Å
63L98.1Very high97.1Very high135 Ų13574.2 Ų74.271%0.70740%0.402SS*.EExtended strand (participates in β ladder)trans-107.5115.9168.1-178.370.2000109.7M42 Q43M42-L63 CarbonylContact O-C 3.59Å; M42-L63 WeakPolarHBondContact O-CA 3.47Å; Q43-L63 HydrophobicContact CB-CD1 4.43Å
64I98.1Very high97.3Very high10 Ų1073 Ų735%0.05139%0.389CS..EExtended strand (participates in β ladder)trans-99.9123.5178.1-54.5179.8000109.5V21 L23 Y29 N41 M42 L44 V62 V69V21-I64 HydrophobicContact CB-CD1 4.08Å; V21-I64 HydrophobicContact CG1-CD1 3.96Å; V21-I64 HydrophobicContact CG2-CD1 4.45Å; L23-I64 HydrophobicContact CD2-CG2 3.75Å; Y29-I64 HydrophobicContact CD2-CD1 3.98Å; Y29-I64 HydrophobicContact CG-CD1 4.06Å; N41-I64 WeakPolarHBondContact CA-O 3.24Å; M42-I64 PolarHBondContact N-O 2.9Å; M42-I64 PolarHBondContact O-N 2.88Å; L44-I64 HydrophobicContact CD1-CD1 3.73Å; L44-I64 HydrophobicContact CG-CD1 4.44Å; V62-I64 HydrophobicContact CG1-CG1 3.85Å; I64-V69 HydrophobicContact CG2-CG2 3.67Å
65R98.3Very high97.2Very high171 Ų17171.5 Ų71.565%0.64537%0.374SS*.  trans-76.2133.1174.6-162.8-178.4165.2131.81.6111.1N41 N67 N68N41-R65 VanDerWaalsContact OD1-CA 3.31Å; N41-R65 WeakPolarHBondContact OD1-CA 3.22Å; N41-R65 WeakPolarHBondContact OD1-CG 3.49Å; R65-N67 VanDerWaalsContact C-N 3.28Å; R65-N67 WeakPolarHBondContact CD-OD1 3.4Å; R65-N67 WeakPolarHBondContact CG-OD1 3.41Å; R65-N67 PolarHBondContact NE-OD1 2.82Å; R65-N67 PolarHBondContact O-N 2.77Å; R65-N67 VanDerWaalsContact O-N 3.14Å; R65-N68 PolarHBondContact O-N 3.45Å
66C97.3Very high96.7Very high38 Ų3876.1 Ų76.126%0.25739%0.393SS..G310 helixtrans-55.4-37.3-171.764.30000114.7Y39 M40 N41 N68 V69Y39-C66 WeakPolarHBondContact O-CB 3.29Å; Y39-C66 PolarHBondContact O-SG 3.17Å; M40-C66 VanDerWaalsContact C-CB 3.48Å; M40-C66 HydrophobicContact CB-CB 4.15Å; M40-C66 VanDerWaalsContact O-CB 3.27Å; M40-C66 WeakPolarHBondContact O-CB 3.4Å; N41-C66 PolarHBondContact OD1-N 2.93Å; C66-N68 PolarHBondContact O-N 3.19Å; C66-N68 VanDerWaalsContact O-N 3.07Å; C66-V69 WeakPolarHBondContact O-CB 3.42Å; C66-V69 PolarHBondContact O-N 3.37Å
67N97.9Very high95.6Very high73 Ų7378.4 Ų78.439%0.3940%0.396SS..G310 helixtrans-67.8-12.1-176.866.6-82.4000113.3K24 R65K24-N67 WeakPolarHBondContact CD-O 3.34Å; K24-N67 VanDerWaalsContact CE-O 3.22Å; K24-N67 WeakPolarHBondContact CE-O 3.23Å; K24-N67 PolarHBondContact NZ-O 3.17Å; R65-N67 VanDerWaalsContact C-N 3.28Å; R65-N67 WeakPolarHBondContact CD-OD1 3.4Å; R65-N67 WeakPolarHBondContact CG-OD1 3.41Å; R65-N67 PolarHBondContact NE-OD1 2.82Å; R65-N67 PolarHBondContact O-N 2.77Å; R65-N67 VanDerWaalsContact O-N 3.14Å
68N97.8Very high94.1Very high54 Ų5486.2 Ų86.229%0.28943%0.426SS..G310 helixtrans-94.7-13.9174.6-64.1-37.8000112.7L23 K24 R65 C66L23-N68 CarbonylContact C-O 3.48Å; L23-N68 VanDerWaalsContact CA-O 3.29Å; L23-N68 WeakPolarHBondContact CA-O 3.47Å; L23-N68 HydrophobicContact CD2-CB 4.35Å; K24-N68 PolarHBondContact N-O 2.78Å; R65-N68 PolarHBondContact O-N 3.45Å; C66-N68 PolarHBondContact O-N 3.19Å; C66-N68 VanDerWaalsContact O-N 3.07Å
69V97.8Very high92.3Very high23 Ų2388.3 Ų88.314%0.13944%0.436CS..EExtended strand (participates in β ladder)trans-75.5132.3-178.9-179.60000109.7V21 K24 M42 I64 C66V21-V69 HydrophobicContact CG1-CB 4.49Å; V21-V69 HydrophobicContact CG1-CG1 3.91Å; V21-V69 HydrophobicContact CG1-CG2 3.94Å; K24-V69 WeakPolarHBondContact CE-O 3.29Å; M42-V69 HydrophobicContact CE-CG1 4.4Å; M42-V69 HydrophobicContact SD-CG2 4.45Å; I64-V69 HydrophobicContact CG2-CG2 3.67Å; C66-V69 WeakPolarHBondContact O-CB 3.42Å; C66-V69 PolarHBondContact O-N 3.37Å
70L97.8Very high90.4Very high106 Ų10693.3 Ų93.356%0.55546%0.458SS*.EExtended strand (participates in β ladder)trans-91.6-50.7168.7-176.266.9000110.1K22 K24K22-L70 HydrophobicContact CB-CB 4.41Å; K22-L70 HydrophobicContact CG-CB 4.24Å; K22-L70 HydrophobicContact CG-CD2 3.93Å; K22-L70 WeakPolarHBondContact O-CB 3.4Å; K22-L70 PolarHBondContact O-N 3.14Å; K24-L70 HydrophobicContact CG-CB 4.26Å; K24-L70 HydrophobicContact CG-CD1 4.46Å
71Y96.9Very high88.5Confident100 Ų10099.2 Ų99.239%0.39248%0.482SS..EExtended strand (participates in β ladder)trans-156.4165.1172.566.1-100.4000111.7K22 R73K22-Y71 HydrophobicContact CB-CD1 3.76Å; K22-Y71 HydrophobicContact CB-CD2 4.15Å; K22-Y71 HydrophobicContact CB-CE1 3.41Å; K22-Y71 VanDerWaalsContact CB-CE1 3.41Å; K22-Y71 HydrophobicContact CB-CE2 3.82Å; K22-Y71 HydrophobicContact CB-CG 4.11Å; K22-Y71 VanDerWaalsContact CB-CZ 3.43Å; K22-Y71 HydrophobicContact CG-CD1 4.17Å; K22-Y71 HydrophobicContact CG-CE1 3.59Å; K22-Y71 PolarHBondContact N-O 2.82Å; K22-Y71 PolarHBondContact O-N 3.3Å; Y71-R73 HydrophobicContact CE2-CG 4.43Å
72I97.7Very high86.4Confident27 Ų2795.7 Ų95.714%0.13848%0.484CS..EExtended strand (participates in β ladder)trans-127142169.7179.2172.3000108.9F10 L11 L14 V19 M20 V21 L33 M42F10-I72 HydrophobicContact CE1-CG2 4.42Å; L11-I72 HydrophobicContact CD2-CD1 4.26Å; L11-I72 HydrophobicContact CD2-CG2 3.72Å; L14-I72 HydrophobicContact CD1-CD1 4.19Å; L14-I72 HydrophobicContact CD1-CG1 4.24Å; V19-I72 HydrophobicContact CB-CD1 4.08Å; V19-I72 HydrophobicContact CB-CG1 4.15Å; V19-I72 HydrophobicContact CG1-CD1 4.17Å; V19-I72 HydrophobicContact CG2-CD1 4.13Å; M20-I72 WeakPolarHBondContact O-CA 3.26Å; V21-I72 HydrophobicContact CG2-CB 4.33Å; V21-I72 HydrophobicContact CG2-CD1 4.08Å; V21-I72 HydrophobicContact CG2-CG1 4.01Å; L33-I72 HydrophobicContact CD2-CD1 4.19Å; M42-I72 HydrophobicContact CE-CB 4.09Å; M42-I72 HydrophobicContact CE-CD1 3.99Å; M42-I72 HydrophobicContact CE-CG2 3.89Å; M42-I72 HydrophobicContact SD-CB 4.42Å; M42-I72 HydrophobicContact SD-CD1 3.76Å
73R96.4Very high84.3Confident110 Ų110101.1 Ų101.142%0.41551%0.507SS..EExtended strand (participates in β ladder)trans-136.5153.4171.865.6178-172.987.3-6111V19 M20 Y71V19-R73 CarbonylContact C-O 3.58Å; V19-R73 VanDerWaalsContact CA-O 3.28Å; V19-R73 WeakPolarHBondContact CA-O 3.08Å; V19-R73 WeakPolarHBondContact CB-O 3.4Å; M20-R73 HydrophobicContact CB-CG 3.98Å; M20-R73 PolarHBondContact N-O 3.12Å; M20-R73 PolarHBondContact O-N 2.76Å; M20-R73 PolarHBondContact SD-NH2 2.96Å; Y71-R73 HydrophobicContact CE2-CG 4.43Å
74G96.5Very high82.1Confident33 Ų33103.5 Ų103.534%0.3452%0.517SS..EExtended strand (participates in β ladder)trans-66.4150.3164.500000110.9
75V94.4Very high80.1Confident31 Ų31112.8 Ų112.819%0.18855%0.551CS.*  trans-112.6131.3167.4-179.80000106.2P18 M20P18-V75 HydrophobicContact CB-CB 4.32Å; P18-V75 PolarHBondContact O-N 3.39Å; M20-V75 HydrophobicContact CB-CG2 3.76Å
76E85.2Confident78Confident183 Ų183117.3 Ų117.386%0.85558%0.58SS**  trans-76128.3170.5-68.8174.1-177.800107.2E78E76-E78 PolarHBondContact O-N 3Å
77E72.9Confident77.1Confident116 Ų116121.3 Ų121.354%0.54260%0.596SS.*  trans-72.1118.7167.4-65.1-176.6156.900106P18 Y32 E79P18-E77 HydrophobicContact CG-CG 3.46Å; P18-E77 VanDerWaalsContact CG-CG 3.46Å; P18-E77 WeakPolarHBondContact CG-OE1 2.94Å; Y32-E77 VanDerWaalsContact CE1-OE1 3.24Å; Y32-E77 WeakPolarHBondContact CE1-OE1 3.19Å; Y32-E77 PolarHBondContact OH-OE1 2.79Å; E77-E79 PolarHBondContact O-N 2.77Å; E77-E79 VanDerWaalsContact O-N 3.14Å
78E66.7Low76Confident187 Ų187123.8 Ų123.887%0.87461%0.606SS**  trans-62.6115.3162.9-70.7-179.9177.400105.5E76 E80E76-E78 PolarHBondContact O-N 3Å; E78-E80 PolarHBondContact O-N 3.03Å
79E58.2Low74.8Confident177 Ų177127.7 Ų127.783%0.82762%0.624SS**  trans-56.7112.3167.3-69.9-175.9170.900105.4E77 D81E77-E79 PolarHBondContact O-N 2.77Å; E77-E79 VanDerWaalsContact O-N 3.14Å; E79-D81 VanDerWaalsContact C-N 3.28Å; E79-D81 PolarHBondContact O-N 3.16Å
80E58.6Low73.4Confident189 Ų189133.8 Ų133.888%0.88365%0.653SS**  trans-57.4103.7166.5-81.2-175.1161.200105.3E78 G82E78-E80 PolarHBondContact O-N 3.03Å; E80-G82 PolarHBondContact O-N 2.71Å
81D56.9Low71.9Confident153 Ų153135.6 Ų135.682%0.81866%0.659SS**  trans-5198.4171.2-85.6-37.7000106.1E79 E83E79-D81 VanDerWaalsContact C-N 3.28Å; E79-D81 PolarHBondContact O-N 3.16Å; D81-E83 VanDerWaalsContact C-N 3.29Å; D81-E83 PolarHBondContact O-N 2.69Å
82G54Low70.2Confident66 Ų66137.9 Ų137.968%0.6868%0.676SS**  trans-61.397.5-178.300000107.3E80 M84E80-G82 PolarHBondContact O-N 2.71Å; G82-M84 PolarHBondContact O-N 3.11Å
83E53.9Low68.2Low141 Ų141145.9 Ų145.966%0.65972%0.715SS**  trans-61.987.2160.4-78.8-167.9-179.100106.2D81 R85D81-E83 VanDerWaalsContact C-N 3.29Å; D81-E83 PolarHBondContact O-N 2.69Å; E83-R85 HydrophobicContact CB-CG 4.46Å; E83-R85 PolarHBondContact O-N 2.97Å; E83-R85 IonicContact OE2-CZ 3.34Å; E83-R85 VanDerWaalsContact OE2-CZ 3.27Å; E83-R85 IonicContact OE2-NE 3.27Å; E83-R85 PolarHBondContact OE2-NE 2.95Å; E83-R85 IonicContact OE2-NH2 3.66Å; E83-R85 PolarHBondContact OE2-NH2 3.38Å
84M51.5Low66.1Low185 Ų185148.6 Ų148.691%0.91174%0.738SS**  trans-57.891.9156.7-94.2-173.6-92.600106.4G82G82-M84 PolarHBondContact O-N 3.11Å
85R55.8Low63.5Low206 Ų206158.3 Ų158.378%0.77777%0.771SS**  trans-83.6110.6162.2-67.9-174.1-179.1-179.20.1106.7E83E83-R85 HydrophobicContact CB-CG 4.46Å; E83-R85 PolarHBondContact O-N 2.97Å; E83-R85 IonicContact OE2-CZ 3.34Å; E83-R85 VanDerWaalsContact OE2-CZ 3.27Å; E83-R85 IonicContact OE2-NE 3.27Å; E83-R85 PolarHBondContact OE2-NE 2.95Å; E83-R85 IonicContact OE2-NH2 3.66Å; E83-R85 PolarHBondContact OE2-NH2 3.38Å
86E54.6Low60.7Low265 Ų265169.8 Ų169.8100%1.23882%0.824SS**  trans-50.90168.8-66-176.3153.900112.7

Retrieved 86 of 86 residues in 136.1 ms (Link to these results)