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U6 snRNA-associated Sm-like protein LSm3

Binds specifically to the 3'-terminal U-tract of U6 snRNA. Plays a role in pre-mRNA splicing as component of the U4/U6-U5 tri-snRNP complex that is involved in spliceosome assembly, and as component of the precatalytic spliceosome (spliceosome B complex). The heptameric LSM2-8 complex binds specifically to the 3'-terminal U-tract of U6 snRNA.

AlphaFold DB , UniProt , Accession B9EL89, Species SALSA (Salmo salar, Atlantic salmon), Gene LSM3, Length 102 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
1M46.4Very low49.8Very low246 Ų246151 Ų151100%1.21281%0.813SS**  0125.60-76.2172.5165.500105.3
2A43.9Very low50.6Low97 Ų97149.4 Ų149.480%0.80280%0.804SS**  trans-64137.3-163.600000111.8E4A2-E4 PolarHBondContact O-N 2.61Å; A2-E4 VanDerWaalsContact O-N 3.16Å
3D48.7Very low51.5Low159 Ų159143.5 Ų143.585%0.8578%0.776SS**  trans-62.8107.8164.4-68.3-54.8000108.4V5D3-V5 PolarHBondContact O-N 2.89Å
4E53.7Low52.7Low183 Ų183138.4 Ų138.486%0.85575%0.752SS**  trans-72.5101167.9-76.3179.3150.500108.1A2 E6A2-E4 PolarHBondContact O-N 2.61Å; A2-E4 VanDerWaalsContact O-N 3.16Å; E4-E6 PolarHBondContact O-N 2.9Å; E4-E6 VanDerWaalsContact O-N 3.13Å
5V51.2Low54.2Low130 Ų130139.6 Ų139.679%0.78875%0.75SS**  trans-72.1100.6168.3-176.50000107.1D3 Q7D3-V5 PolarHBondContact O-N 2.89Å; V5-Q7 PolarHBondContact O-N 2.86Å
6E50.8Low56.1Low168 Ų168138.4 Ų138.479%0.78574%0.739SS**  trans-56.6107.2172.2-73.8-177.4158.100109.9E4 Q8E4-E6 PolarHBondContact O-N 2.9Å; E4-E6 VanDerWaalsContact O-N 3.13Å; E6-Q8 PolarHBondContact O-N 3.35Å
7Q51Low57.6Low182 Ų182136.9 Ų136.985%0.8574%0.739SS**  trans-70.295.5164.6-78175.6-19.100107.8V5 T9V5-Q7 PolarHBondContact O-N 2.86Å; Q7-T9 PolarHBondContact O-N 3.39Å
8Q50.6Low59.1Low168 Ų168132.4 Ų132.479%0.78571%0.714SS**  trans-63100.8168.9-80.4-179.5-18.900109.1E6 T10E6-Q8 PolarHBondContact O-N 3.35Å; Q8-T10 PolarHBondContact O-N 3.43Å
9T46.8Very low60.3Low131 Ų131127.6 Ų127.680%0.80469%0.688SS**  trans-60.8101.5164.9-38.60000106.7Q7 T11Q7-T9 PolarHBondContact O-N 3.39Å; T9-T11 PolarHBondContact O-N 3.2Å
10T53Low61.3Low94 Ų94126.1 Ų126.158%0.57768%0.679SS**  trans-65.297.6178.248.20000108.5Q8 N12Q8-T10 PolarHBondContact O-N 3.43Å; T10-N12 PolarHBondContact O-N 2.76Å
11T51.8Low62.4Low103 Ų103120.7 Ų120.763%0.63265%0.65SS**  trans-56.7126.5164.644.60000107.5T9 T13T9-T11 PolarHBondContact O-N 3.2Å; T11-T13 PolarHBondContact O-N 2.91Å; T11-T13 PolarHBondContact OG1-OG1 3.34Å
12N59.3Low64.4Low132 Ų132115.5 Ų115.571%0.70662%0.617SS**  trans-70.149.5174.7-74.6-25.2000111.1T10T10-N12 PolarHBondContact O-N 2.76Å
13T62.4Low66.4Low72 Ų72115.1 Ų115.144%0.44260%0.6SS.*  trans-85.1115.6168.2440000106.6T11 E15T11-T13 PolarHBondContact O-N 2.91Å; T11-T13 PolarHBondContact OG1-OG1 3.34Å; T13-E15 PolarHBondContact O-N 3.37Å; T13-E15 VanDerWaalsContact O-N 3.11Å; T13-E15 PolarHBondContact OG1-OE1 2.83Å
14V67.6Low68.2Low72 Ų72108 Ų10844%0.43656%0.564SS.*  trans-73.899.8171.3176.80000106.3D19 L20 L23V14-D19 HydrophobicContact CG1-CB 4.41Å; V14-L20 HydrophobicContact CB-CD2 4.27Å; V14-L20 HydrophobicContact CG1-CD1 4.25Å; V14-L20 HydrophobicContact CG1-CD2 3.63Å; V14-L20 HydrophobicContact CG1-CG 3.54Å; V14-L20 HydrophobicContact CG2-CD2 3.66Å; V14-L20 HydrophobicContact CG2-CG 4.4Å; V14-L23 HydrophobicContact CG2-CD1 3.87Å
15E75.9Confident70.1Confident157 Ų157102.7 Ų102.773%0.73454%0.54SS*.  trans-99.5-35.5-179.8-65.7-172.1-175.700110.7T13 D19T13-E15 PolarHBondContact O-N 3.37Å; T13-E15 VanDerWaalsContact O-N 3.11Å; T13-E15 PolarHBondContact OG1-OE1 2.83Å; E15-D19 PolarHBondContact N-OD2 2.87Å
16E84.1Confident72.1Confident120 Ų120101.8 Ų101.856%0.56153%0.531SS*.SBendtrans-117.8154.3177.5-62.5-17117400112.7L18 D19E16-L18 PolarHBondContact O-N 2.8Å; E16-L18 VanDerWaalsContact O-N 3.12Å; E16-D19 PolarHBondContact N-OD2 2.85Å; E16-D19 WeakPolarHBondContact O-CB 3.46Å; E16-D19 PolarHBondContact O-N 2.89Å
17P81.9Confident74.1Confident114 Ų11497.7 Ų97.774%0.7451%0.512SS*.Hα-helixtrans-55.9-30174.5-25.434.4000113.6D19 L20P17-D19 VanDerWaalsContact C-N 3.29Å; P17-D19 PolarHBondContact O-N 2.9Å; P17-L20 PolarHBondContact O-N 2.98Å
18L84.6Confident76.2Confident56 Ų5697.1 Ų97.129%0.29350%0.502SS..Hα-helixtrans-75.6-14.3176.9-67.6177.3000113.3E16 L20 I21 R22 Y46 L50E16-L18 PolarHBondContact O-N 2.8Å; E16-L18 VanDerWaalsContact O-N 3.12Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-I21 HydrophobicContact CD2-CG2 4.23Å; L18-I21 VanDerWaalsContact O-CG2 3.22Å; L18-I21 WeakPolarHBondContact O-CG2 3.5Å; L18-R22 PolarHBondContact O-N 2.91Å; L18-Y46 HydrophobicContact CD2-CE2 4.48Å; L18-Y46 PolarHBondContact O-OH 2.87Å; L18-Y46 VanDerWaalsContact O-OH 3.07Å; L18-L50 HydrophobicContact CD2-CD2 4.27Å
19D82.8Confident78.3Confident40 Ų4089.3 Ų89.321%0.21447%0.466CS..Hα-helixtrans-72.7-29.8173.3-63.7-35.6000111V14 E15 E16 P17 R22 L23V14-D19 HydrophobicContact CG1-CB 4.41Å; E15-D19 PolarHBondContact N-OD2 2.87Å; E16-D19 PolarHBondContact N-OD2 2.85Å; E16-D19 WeakPolarHBondContact O-CB 3.46Å; E16-D19 PolarHBondContact O-N 2.89Å; P17-D19 VanDerWaalsContact C-N 3.29Å; P17-D19 PolarHBondContact O-N 2.9Å; D19-R22 VanDerWaalsContact O-CB 3.24Å; D19-R22 WeakPolarHBondContact O-CB 3.21Å; D19-R22 PolarHBondContact O-N 2.91Å; D19-L23 WeakPolarHBondContact O-CG 3.44Å; D19-L23 PolarHBondContact O-N 2.92Å; D19-L23 VanDerWaalsContact O-N 3.11Å
20L79.3Confident80.6Confident98 Ų9885.7 Ų85.751%0.51344%0.438SS..Hα-helixtrans-64.4-41.8174.9-69.8172.6000112.3V14 P17 L18 R22 L23 S24V14-L20 HydrophobicContact CB-CD2 4.27Å; V14-L20 HydrophobicContact CG1-CD1 4.25Å; V14-L20 HydrophobicContact CG1-CD2 3.63Å; V14-L20 HydrophobicContact CG1-CG 3.54Å; V14-L20 HydrophobicContact CG2-CD2 3.66Å; V14-L20 HydrophobicContact CG2-CG 4.4Å; P17-L20 PolarHBondContact O-N 2.98Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L20-R22 VanDerWaalsContact C-N 3.28Å; L20-L23 PolarHBondContact O-N 2.76Å; L20-S24 PolarHBondContact O-OG 2.77Å
21I85.5Confident82.7Confident13 Ų1381.2 Ų81.27%0.06741%0.41CS..Hα-helixtrans-71.4-29.5177.4-159.6176.4000110.7L18 L23 S24 L43 Y46 L50 M52 V95L18-I21 HydrophobicContact CD2-CG2 4.23Å; L18-I21 VanDerWaalsContact O-CG2 3.22Å; L18-I21 WeakPolarHBondContact O-CG2 3.5Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 3.02Å; I21-S24 WeakPolarHBondContact O-CA 3.47Å; I21-S24 WeakPolarHBondContact O-CB 3.28Å; I21-S24 PolarHBondContact O-N 2.73Å; I21-L43 HydrophobicContact CD1-CD2 4.24Å; I21-L43 HydrophobicContact CG1-CD2 3.73Å; I21-Y46 HydrophobicContact CG2-CD1 4.38Å; I21-Y46 HydrophobicContact CG2-CD2 3.85Å; I21-Y46 HydrophobicContact CG2-CE1 3.99Å; I21-Y46 HydrophobicContact CG2-CE2 3.38Å; I21-Y46 HydrophobicContact CG2-CG 4.33Å; I21-Y46 VanDerWaalsContact CG2-CZ 3.48Å; I21-L50 HydrophobicContact CD1-CD2 4.16Å; I21-M52 HydrophobicContact CD1-CE 4.19Å; I21-V95 HydrophobicContact CD1-CB 4.26Å; I21-V95 HydrophobicContact CD1-CG1 3.85Å; I21-V95 HydrophobicContact CD1-CG2 4.09Å; I21-V95 HydrophobicContact CG1-CG1 4.26Å
22R86.6Confident84.8Confident137 Ų13780.1 Ų80.152%0.51740%0.397SS..Hα-helixtrans-59.7-40.9171.7-158.6175.9171.3179-3112.5L18 D19 L20 S24 L25 Y46L18-R22 PolarHBondContact O-N 2.91Å; D19-R22 VanDerWaalsContact O-CB 3.24Å; D19-R22 WeakPolarHBondContact O-CB 3.21Å; D19-R22 PolarHBondContact O-N 2.91Å; L20-R22 VanDerWaalsContact C-N 3.28Å; R22-S24 PolarHBondContact O-N 2.85Å; R22-L25 HydrophobicContact CG-CD1 4.11Å; R22-L25 WeakPolarHBondContact O-CB 3.2Å; R22-L25 WeakPolarHBondContact O-CG 3.34Å; R22-L25 PolarHBondContact O-N 3.45Å; R22-Y46 WeakPolarHBondContact CA-OH 3.49Å; R22-Y46 HydrophobicContact CB-CE1 4.48Å; R22-Y46 WeakPolarHBondContact CB-OH 3.2Å; R22-Y46 PolarHBondContact N-OH 3.41Å
23L86.1Confident86.6Confident88 Ų8875.7 Ų75.746%0.46137%0.372SS..THydrogen-bonded Turntrans-66.5-17.2175.9-66.1173.3000112.9V14 D19 L20 I21V14-L23 HydrophobicContact CG2-CD1 3.87Å; D19-L23 WeakPolarHBondContact O-CG 3.44Å; D19-L23 PolarHBondContact O-N 2.92Å; D19-L23 VanDerWaalsContact O-N 3.11Å; L20-L23 PolarHBondContact O-N 2.76Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 3.02Å
24S88.1Confident88.1Confident11 Ų1179.9 Ų79.98%0.07738%0.38CS..THydrogen-bonded Turntrans-97.29.8179.5-50.30000113L20 I21 R22 E27L20-S24 PolarHBondContact O-OG 2.77Å; I21-S24 WeakPolarHBondContact O-CA 3.47Å; I21-S24 WeakPolarHBondContact O-CB 3.28Å; I21-S24 PolarHBondContact O-N 2.73Å; R22-S24 PolarHBondContact O-N 2.85Å; S24-E27 WeakPolarHBondContact O-CB 3.23Å; S24-E27 PolarHBondContact O-N 2.86Å; S24-E27 VanDerWaalsContact O-N 3.17Å
25L92.4Very high89.3Confident70 Ų7082.9 Ų82.937%0.36639%0.394SS..THydrogen-bonded Turntrans-62.2138.1173.2-79.5169000110.7R22 E27 L43 Y46R22-L25 HydrophobicContact CG-CD1 4.11Å; R22-L25 WeakPolarHBondContact O-CB 3.2Å; R22-L25 WeakPolarHBondContact O-CG 3.34Å; R22-L25 PolarHBondContact O-N 3.45Å; L25-E27 PolarHBondContact O-N 2.84Å; L25-L43 HydrophobicContact CD2-CD2 4.33Å; L25-L43 HydrophobicContact CD2-CG 4.25Å; L25-Y46 HydrophobicContact CD1-CE1 4.33Å; L25-Y46 HydrophobicContact CD2-CD1 4.07Å; L25-Y46 HydrophobicContact CD2-CE1 4.2Å; L25-Y46 HydrophobicContact CG-CE1 4.24Å
26D93.3Very high90.1Very high112 Ų11280 Ų8060%0.59938%0.384SS*.THydrogen-bonded Turntrans62.38.2-172.2-15438.9000115R42 L43D26-R42 VanDerWaalsContact O-CD 3.31Å; D26-R42 WeakPolarHBondContact O-CD 3.47Å; D26-R42 WeakPolarHBondContact O-CG 3.49Å; D26-R42 WeakPolarHBondContact OD1-CD 3.42Å; D26-R42 IonicContact OD1-CZ 3.88Å; D26-R42 IonicContact OD1-NE 2.73Å; D26-R42 PolarHBondContact OD1-NE 3.27Å; D26-L43 PolarHBondContact N-O 3.27Å
27E93.6Very high90.6Very high82 Ų8278.8 Ų78.838%0.38337%0.374SS..SBendtrans-100.3161.3172.1-59.5-163.8149.700112.3S24 L25 I29 R42 L43 P98S24-E27 WeakPolarHBondContact O-CB 3.23Å; S24-E27 PolarHBondContact O-N 2.86Å; S24-E27 VanDerWaalsContact O-N 3.17Å; L25-E27 PolarHBondContact O-N 2.84Å; E27-I29 PolarHBondContact O-N 2.85Å; E27-R42 CarbonylContact O-C 3.5Å; E27-R42 WeakPolarHBondContact O-CA 3.41Å; E27-L43 PolarHBondContact O-N 3.03Å; E27-P98 HydrophobicContact CB-CG 3.74Å; E27-P98 HydrophobicContact CG-CG 4.48Å; E27-P98 WeakPolarHBondContact OE2-CD 3.24Å; E27-P98 WeakPolarHBondContact OE2-CG 3.41Å
28R94.2Very high91.3Very high170 Ų17075.6 Ų75.664%0.64235%0.349SS*.EExtended strand (participates in β ladder)trans-80.9112.7174.9-89.9-175156.6-167.1-7.2111.3G41 P98R28-G41 CarbonylContact C-O 3.5Å; R28-G41 WeakPolarHBondContact CA-O 3.38Å; R28-P98 VanDerWaalsContact O-CA 3.31Å; R28-P98 WeakPolarHBondContact O-CA 3.44Å; R28-P98 VanDerWaalsContact O-CB 3.3Å; R28-P98 WeakPolarHBondContact O-CB 3.24Å; R28-P98 WeakPolarHBondContact O-CG 3.34Å
29I94.9Very high91.9Very high4 Ų473.2 Ų73.22%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-104.4160.6179.963.6165000112.1E27 V31 R40 G41 L43 M52 L54 V95E27-I29 PolarHBondContact O-N 2.85Å; I29-V31 HydrophobicContact CD1-CG2 3.59Å; I29-V31 HydrophobicContact CG1-CG2 4.07Å; I29-R40 WeakPolarHBondContact O-CA 3.32Å; I29-G41 PolarHBondContact N-O 3.45Å; I29-G41 PolarHBondContact O-N 2.81Å; I29-L43 HydrophobicContact CD1-CB 3.87Å; I29-L43 HydrophobicContact CD1-CD1 3.94Å; I29-L43 HydrophobicContact CD1-CD2 4.2Å; I29-L43 HydrophobicContact CD1-CG 4.21Å; I29-L43 HydrophobicContact CG1-CB 4.09Å; I29-L43 HydrophobicContact CG2-CB 4.22Å; I29-M52 HydrophobicContact CD1-SD 4.26Å; I29-L54 HydrophobicContact CD1-CD2 3.96Å; I29-L54 HydrophobicContact CG1-CD2 4.25Å; I29-V95 HydrophobicContact CB-CG1 4.5Å; I29-V95 HydrophobicContact CD1-CG1 3.94Å
30Y95.7Very high92.5Very high54 Ų5477.4 Ų77.421%0.21235%0.349CS..EExtended strand (participates in β ladder)trans-107.4130.1167.7169.6-98.6000109.6K32 E38 R40 L94 V95 A96Y30-K32 HydrophobicContact CE1-CB 4.09Å; Y30-E38 HydrophobicContact CE2-CB 3.93Å; Y30-E38 HydrophobicContact CE2-CG 4.05Å; Y30-E38 WeakPolarHBondContact OH-CG 3.41Å; Y30-E38 PolarHBondContact OH-OE1 2.9Å; Y30-R40 HydrophobicContact CD2-CG 3.97Å; Y30-L94 HydrophobicContact CD1-CD2 4.15Å; Y30-L94 HydrophobicContact CE1-CD2 3.8Å; Y30-V95 WeakPolarHBondContact O-CA 3.37Å; Y30-A96 HydrophobicContact CD1-CB 4.12Å; Y30-A96 PolarHBondContact N-O 2.83Å; Y30-A96 PolarHBondContact O-N 3.48Å
31V96.1Very high93.3Very high0 Ų072.8 Ų72.80%033%0.325CS..EExtended strand (participates in β ladder)trans-124.5119.7179-173.50000109I29 E38 L39 M52 L54 V92 L94 V95I29-V31 HydrophobicContact CD1-CG2 3.59Å; I29-V31 HydrophobicContact CG1-CG2 4.07Å; V31-E38 CarbonylContact O-C 3.59Å; V31-E38 WeakPolarHBondContact O-CA 3.47Å; V31-L39 HydrophobicContact CB-CB 4.25Å; V31-L39 PolarHBondContact N-O 2.92Å; V31-L39 PolarHBondContact O-N 3.14Å; V31-M52 HydrophobicContact CG2-SD 4.17Å; V31-L54 HydrophobicContact CG2-CD1 4.45Å; V31-V92 HydrophobicContact CG1-CG1 3.92Å; V31-V92 HydrophobicContact CG1-CG2 4.18Å; V31-L94 WeakPolarHBondContact CA-O 3.46Å; V31-V95 HydrophobicContact CG1-CG2 4.46Å; V31-V95 HydrophobicContact CG2-CG2 4.45Å
32K96.2Very high93.8Very high80 Ų8076.1 Ų76.135%0.34834%0.337SS..EExtended strand (participates in β ladder)trans-91.6123.7169.1-171.5165.9-175.5166.30109Y30 V93 L94Y30-K32 HydrophobicContact CE1-CB 4.09Å; K32-V93 WeakPolarHBondContact O-CB 3.39Å; K32-V93 PolarHBondContact O-N 3.03Å; K32-L94 HydrophobicContact CB-CB 4.24Å; K32-L94 HydrophobicContact CB-CD2 4.06Å; K32-L94 PolarHBondContact N-O 2.84Å; K32-L94 PolarHBondContact O-N 2.85Å
33M96.8Very high94.3Very high40 Ų4069.6 Ų69.620%0.19731%0.312CS..EExtended strand (participates in β ladder)trans-101.3166.8178.5-66.8-91-55.900110.1R37 L39 V87 G91 V92M33-R37 WeakPolarHBondContact CA-O 3.39Å; M33-R37 HydrophobicContact CB-CB 3.84Å; M33-R37 WeakPolarHBondContact CB-O 3.36Å; M33-R37 PolarHBondContact N-O 2.64Å; M33-L39 HydrophobicContact CG-CD1 4.14Å; M33-L39 HydrophobicContact CG-CG 4.3Å; M33-L39 HydrophobicContact SD-CD1 4.25Å; M33-V87 HydrophobicContact CE-CG1 4.36Å; M33-V87 HydrophobicContact SD-CG1 3.65Å; M33-G91 CarbonylContact C-O 3.54Å; M33-G91 VanDerWaalsContact CA-O 3.25Å; M33-G91 WeakPolarHBondContact CA-O 3.16Å; M33-V92 HydrophobicContact SD-CG2 4.14Å
34R94.8Very high94.8Very high159 Ų15968 Ų6860%0.630%0.304SS*.THydrogen-bonded Turntrans-62.2159.7165.4-61.8-178-170.9-1441.2110.7D90 G91 V93R34-D90 PolarHBondContact NE-O 2.87Å; R34-D90 VanDerWaalsContact NE-O 3.11Å; R34-D90 PolarHBondContact NH2-O 2.76Å; R34-G91 PolarHBondContact N-O 3.19Å; R34-V93 HydrophobicContact CG-CG2 3.65Å
35N91.8Very high95.2Very high136 Ų13669.5 Ų69.573%0.72732%0.318SS*.THydrogen-bonded Turntrans6540.2177.4-48.9-33.4000114.3R37N35-R37 WeakPolarHBondContact O-CG 3.31Å; N35-R37 PolarHBondContact O-N 2.9Å; N35-R37 VanDerWaalsContact O-N 3.14Å
36D92.5Very high95.3Very high97 Ų9769 Ų6952%0.51931%0.311SS..THydrogen-bonded Turntrans53.239.5175.3-57.5-59.6000113.5T62D36-T62 PolarHBondContact O-N 2.88Å
37R95.1Very high95.4Very high94 Ų9466.5 Ų66.536%0.35530%0.298SS..EExtended strand (participates in β ladder)trans-108141.8175.1-69-170.6-178.5-129.70.2110.9M33 N35 E59 T60 V61M33-R37 WeakPolarHBondContact CA-O 3.39Å; M33-R37 HydrophobicContact CB-CB 3.84Å; M33-R37 WeakPolarHBondContact CB-O 3.36Å; M33-R37 PolarHBondContact N-O 2.64Å; N35-R37 WeakPolarHBondContact O-CG 3.31Å; N35-R37 PolarHBondContact O-N 2.9Å; N35-R37 VanDerWaalsContact O-N 3.14Å; R37-E59 IonicContact CZ-OE1 2.75Å; R37-E59 IonicContact NH1-OE1 2.76Å; R37-E59 PolarHBondContact NH1-OE1 2.88Å; R37-E59 IonicContact NH1-OE2 2.92Å; R37-T60 WeakPolarHBondContact CA-O 3.46Å; R37-V61 HydrophobicContact CG-CB 4.46Å; R37-V61 HydrophobicContact CG-CG1 4.13Å; R37-V61 HydrophobicContact CG-CG2 4.07Å
38E96.6Very high95.3Very high47 Ų4769.8 Ų69.822%0.2231%0.313CS..EExtended strand (participates in β ladder)trans-134.8138.2-179.8-62.1175.7-177.200109.1Y30 V31 E59 T60Y30-E38 HydrophobicContact CE2-CB 3.93Å; Y30-E38 HydrophobicContact CE2-CG 4.05Å; Y30-E38 WeakPolarHBondContact OH-CG 3.41Å; Y30-E38 PolarHBondContact OH-OE1 2.9Å; V31-E38 CarbonylContact O-C 3.59Å; V31-E38 WeakPolarHBondContact O-CA 3.47Å; E38-E59 CarbonylContact O-C 3.59Å; E38-E59 WeakPolarHBondContact O-CA 3.28Å; E38-T60 PolarHBondContact N-O 3.24Å; E38-T60 PolarHBondContact O-N 3.18Å
39L97Very high95.3Very high5 Ų567 Ų673%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-120.1137.2175.8-56.8172.9000109.1V31 M33 L54 V57 E58 E59 L85 V87V31-L39 HydrophobicContact CB-CB 4.25Å; V31-L39 PolarHBondContact N-O 2.92Å; V31-L39 PolarHBondContact O-N 3.14Å; M33-L39 HydrophobicContact CG-CD1 4.14Å; M33-L39 HydrophobicContact CG-CG 4.3Å; M33-L39 HydrophobicContact SD-CD1 4.25Å; L39-L54 HydrophobicContact CB-CD1 4.23Å; L39-L54 HydrophobicContact CD1-CD1 4.18Å; L39-V57 HydrophobicContact CB-CG1 4.26Å; L39-V57 HydrophobicContact CD2-CG1 4.08Å; L39-E58 WeakPolarHBondContact CA-O 3.5Å; L39-E59 HydrophobicContact CD2-CB 3.61Å; L39-E59 HydrophobicContact CD2-CG 3.72Å; L39-L85 HydrophobicContact CD1-CD2 4.16Å; L39-L85 HydrophobicContact CD2-CD2 4.09Å; L39-V87 HydrophobicContact CD1-CG1 4.25Å; L39-V87 HydrophobicContact CD1-CG2 3.61Å
40R96.2Very high95.3Very high128 Ų12869.6 Ų69.648%0.48332%0.321SS..EExtended strand (participates in β ladder)trans-125.1120.5168.5-66.8179.5-178.6-170.4-0.4108.2I29 Y30 V57 E58I29-R40 WeakPolarHBondContact O-CA 3.32Å; Y30-R40 HydrophobicContact CD2-CG 3.97Å; R40-V57 CarbonylContact O-C 3.57Å; R40-V57 WeakPolarHBondContact O-CA 3.44Å; R40-E58 PolarHBondContact N-O 2.83Å; R40-E58 PolarHBondContact O-N 2.93Å
41G96.3Very high95.4Very high1 Ų168.4 Ų68.41%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-167168.8-175.200000112.1R28 I29 G55R28-G41 CarbonylContact C-O 3.5Å; R28-G41 WeakPolarHBondContact CA-O 3.38Å; I29-G41 PolarHBondContact N-O 3.45Å; I29-G41 PolarHBondContact O-N 2.81Å; G41-G55 CarbonylContact C-O 3.58Å; G41-G55 WeakPolarHBondContact CA-O 3.39Å
42R96.3Very high95.4Very high83 Ų8368.5 Ų68.531%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-78.7125.8174.9-166.9167.979.5-113.8-6109.9D26 E27 N44 L54 G55 D56D26-R42 VanDerWaalsContact O-CD 3.31Å; D26-R42 WeakPolarHBondContact O-CD 3.47Å; D26-R42 WeakPolarHBondContact O-CG 3.49Å; D26-R42 WeakPolarHBondContact OD1-CD 3.42Å; D26-R42 IonicContact OD1-CZ 3.88Å; D26-R42 IonicContact OD1-NE 2.73Å; D26-R42 PolarHBondContact OD1-NE 3.27Å; E27-R42 CarbonylContact O-C 3.5Å; E27-R42 WeakPolarHBondContact O-CA 3.41Å; R42-N44 PolarHBondContact O-N 3.22Å; R42-L54 CarbonylContact O-C 3.56Å; R42-L54 VanDerWaalsContact O-CA 3.26Å; R42-L54 WeakPolarHBondContact O-CA 3.46Å; R42-G55 PolarHBondContact N-O 2.87Å; R42-G55 PolarHBondContact O-N 3.2Å; R42-D56 IonicContact CZ-OD2 2.75Å; R42-D56 IonicContact NH1-OD2 3.17Å; R42-D56 PolarHBondContact NH1-OD2 3.17Å
43L96.6Very high95.5Very high0 Ų067.3 Ų67.30%032%0.316CS..EExtended strand (participates in β ladder)trans-79.3106.9179.6-178.765.2000110.6I21 L25 D26 E27 I29 Y46 M52 L54I21-L43 HydrophobicContact CD1-CD2 4.24Å; I21-L43 HydrophobicContact CG1-CD2 3.73Å; L25-L43 HydrophobicContact CD2-CD2 4.33Å; L25-L43 HydrophobicContact CD2-CG 4.25Å; D26-L43 PolarHBondContact N-O 3.27Å; E27-L43 PolarHBondContact O-N 3.03Å; I29-L43 HydrophobicContact CD1-CB 3.87Å; I29-L43 HydrophobicContact CD1-CD1 3.94Å; I29-L43 HydrophobicContact CD1-CD2 4.2Å; I29-L43 HydrophobicContact CD1-CG 4.21Å; I29-L43 HydrophobicContact CG1-CB 4.09Å; I29-L43 HydrophobicContact CG2-CB 4.22Å; L43-Y46 HydrophobicContact CD2-CD1 4.22Å; L43-M52 HydrophobicContact CD1-CB 4.13Å; L43-M52 HydrophobicContact CD1-CG 4.11Å; L43-M52 HydrophobicContact CD1-SD 4.25Å; L43-L54 HydrophobicContact CB-CD2 4.29Å; L43-L54 HydrophobicContact CD1-CD2 3.73Å
44N96.4Very high95.5Very high55 Ų5565.4 Ų65.429%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-90.3-36.4179.7-66.6-10.9000112.3R42 I53 M84R42-N44 PolarHBondContact O-N 3.22Å; N44-I53 HydrophobicContact CB-CB 4.35Å; N44-I53 HydrophobicContact CB-CG2 4.08Å; N44-I53 WeakPolarHBondContact CB-O 3.42Å; N44-I53 PolarHBondContact N-O 2.89Å; N44-M84 PolarHBondContact ND2-SD 3.42Å; N44-M84 VanDerWaalsContact ND2-SD 3.45Å
45A96.1Very high95.7Very high43 Ų4357.9 Ų57.936%0.35528%0.278SS..EExtended strand (participates in β ladder)trans-157.7155.3179.900000111.4M52 I53A45-M52 VanDerWaalsContact O-CA 3.32Å; A45-M52 WeakPolarHBondContact O-CA 3.26Å; A45-I53 HydrophobicContact CB-CB 4.16Å; A45-I53 HydrophobicContact CB-CG1 4.19Å; A45-I53 PolarHBondContact N-O 3.45Å; A45-I53 PolarHBondContact O-N 2.89Å
46Y95.8Very high95.9Very high59 Ų5955.5 Ų55.523%0.23127%0.265CS..EExtended strand (participates in β ladder)trans-149.8169.1169.372.6-77.1000111.7L18 I21 R22 L25 L43 N51L18-Y46 HydrophobicContact CD2-CE2 4.48Å; L18-Y46 PolarHBondContact O-OH 2.87Å; L18-Y46 VanDerWaalsContact O-OH 3.07Å; I21-Y46 HydrophobicContact CG2-CD1 4.38Å; I21-Y46 HydrophobicContact CG2-CD2 3.85Å; I21-Y46 HydrophobicContact CG2-CE1 3.99Å; I21-Y46 HydrophobicContact CG2-CE2 3.38Å; I21-Y46 HydrophobicContact CG2-CG 4.33Å; I21-Y46 VanDerWaalsContact CG2-CZ 3.48Å; R22-Y46 WeakPolarHBondContact CA-OH 3.49Å; R22-Y46 HydrophobicContact CB-CE1 4.48Å; R22-Y46 WeakPolarHBondContact CB-OH 3.2Å; R22-Y46 PolarHBondContact N-OH 3.41Å; L25-Y46 HydrophobicContact CD1-CE1 4.33Å; L25-Y46 HydrophobicContact CD2-CD1 4.07Å; L25-Y46 HydrophobicContact CD2-CE1 4.2Å; L25-Y46 HydrophobicContact CG-CE1 4.24Å; L43-Y46 HydrophobicContact CD2-CD1 4.22Å; Y46-N51 CarbonylContact C-O 3.59Å; Y46-N51 WeakPolarHBondContact CA-O 3.4Å; Y46-N51 WeakPolarHBondContact CB-O 3.47Å
47D94.4Very high96.2Very high60 Ų6050.9 Ų50.932%0.32124%0.24SC..  trans-129.8-179.4172.370.612.8000112.6H49 L50 N51D47-H49 PolarHBondContact O-N 3.32Å; D47-H49 VanDerWaalsContact O-N 3.16Å; D47-H49 WeakPolarHBondContact OD1-CA 3.31Å; D47-H49 WeakPolarHBondContact OD1-CB 3.39Å; D47-H49 PolarHBondContact OD1-N 2.88Å; D47-L50 PolarHBondContact O-N 2.84Å; D47-L50 PolarHBondContact OD1-N 2.91Å; D47-N51 PolarHBondContact N-O 2.84Å; D47-N51 WeakPolarHBondContact OD1-CB 3.36Å; D47-N51 PolarHBondContact OD1-N 2.83Å; D47-N51 PolarHBondContact OD1-ND2 3.33Å; D47-N51 PolarHBondContact OD2-ND2 3.35Å
48Q92.3Very high96.3Very high151 Ų15149 Ų4971%0.70624%0.236SC*.THydrogen-bonded Turntrans-60.8-20178.370.5-166.7-100114.4L50Q48-L50 VanDerWaalsContact C-N 3.3Å
49H94.3Very high96.3Very high112 Ų11247.7 Ų47.752%0.51923%0.23SC..THydrogen-bonded Turntrans-89.6-0.6177.6-59.5-65.1000111.9D47 N51 G89D47-H49 PolarHBondContact O-N 3.32Å; D47-H49 VanDerWaalsContact O-N 3.16Å; D47-H49 WeakPolarHBondContact OD1-CA 3.31Å; D47-H49 WeakPolarHBondContact OD1-CB 3.39Å; D47-H49 PolarHBondContact OD1-N 2.88Å; H49-N51 PolarHBondContact O-N 2.88Å; H49-G89 VanDerWaalsContact O-CA 3.29Å; H49-G89 WeakPolarHBondContact O-CA 3.38Å
50L94.6Very high96.2Very high57 Ų5748.1 Ų48.130%0.29823%0.233SC..  trans62.726.8-170.4-64.2148.3000112.7L18 I21 D47 Q48 M52 G89L18-L50 HydrophobicContact CD2-CD2 4.27Å; I21-L50 HydrophobicContact CD1-CD2 4.16Å; D47-L50 PolarHBondContact O-N 2.84Å; D47-L50 PolarHBondContact OD1-N 2.91Å; Q48-L50 VanDerWaalsContact C-N 3.3Å; L50-M52 HydrophobicContact CB-CE 4.02Å; L50-M52 HydrophobicContact CD2-CE 3.9Å; L50-G89 VanDerWaalsContact C-CA 3.46Å; L50-G89 WeakPolarHBondContact O-CA 3.33Å
51N96.6Very high96.2Very high29 Ų2943.3 Ų43.316%0.15522%0.217CC..  trans-66.4140.6160.1-59-49.8000108.1Y46 D47 H49 F86 V87 R88 G89Y46-N51 CarbonylContact C-O 3.59Å; Y46-N51 WeakPolarHBondContact CA-O 3.4Å; Y46-N51 WeakPolarHBondContact CB-O 3.47Å; D47-N51 PolarHBondContact N-O 2.84Å; D47-N51 WeakPolarHBondContact OD1-CB 3.36Å; D47-N51 PolarHBondContact OD1-N 2.83Å; D47-N51 PolarHBondContact OD1-ND2 3.33Å; D47-N51 PolarHBondContact OD2-ND2 3.35Å; H49-N51 PolarHBondContact O-N 2.88Å; N51-F86 HydrophobicContact CB-CE2 4.07Å; N51-F86 HydrophobicContact CB-CZ 4.26Å; N51-V87 CarbonylContact C-O 3.54Å; N51-V87 VanDerWaalsContact CA-O 3.28Å; N51-V87 WeakPolarHBondContact CA-O 3.5Å; N51-R88 WeakPolarHBondContact OD1-CA 3.41Å; N51-G89 PolarHBondContact OD1-N 3.01Å
52M96.9Very high96Very high2 Ų245.3 Ų45.31%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-135.4148.9-174.5-58.9173.5-157.700112.1I21 I29 V31 L43 A45 L50 L54 F86 V87 V92 V95I21-M52 HydrophobicContact CD1-CE 4.19Å; I29-M52 HydrophobicContact CD1-SD 4.26Å; V31-M52 HydrophobicContact CG2-SD 4.17Å; L43-M52 HydrophobicContact CD1-CB 4.13Å; L43-M52 HydrophobicContact CD1-CG 4.11Å; L43-M52 HydrophobicContact CD1-SD 4.25Å; A45-M52 VanDerWaalsContact O-CA 3.32Å; A45-M52 WeakPolarHBondContact O-CA 3.26Å; L50-M52 HydrophobicContact CB-CE 4.02Å; L50-M52 HydrophobicContact CD2-CE 3.9Å; M52-L54 HydrophobicContact CB-CD2 4.28Å; M52-L54 HydrophobicContact CB-CG 4.36Å; M52-F86 WeakPolarHBondContact O-CA 3.42Å; M52-V87 HydrophobicContact CB-CB 4.32Å; M52-V87 PolarHBondContact N-O 2.75Å; M52-V87 PolarHBondContact O-N 3.16Å; M52-V92 HydrophobicContact CE-CG1 4.06Å; M52-V92 HydrophobicContact CE-CG2 4.06Å; M52-V95 HydrophobicContact CE-CG2 3.47Å; M52-V95 VanDerWaalsContact CE-CG2 3.47Å
53I97.8Very high95.8Very high56 Ų5644.4 Ų44.429%0.28723%0.233SC..EExtended strand (participates in β ladder)trans-107.7116.1162.8-58-67.6000107.2N44 A45 M84 F86N44-I53 HydrophobicContact CB-CB 4.35Å; N44-I53 HydrophobicContact CB-CG2 4.08Å; N44-I53 WeakPolarHBondContact CB-O 3.42Å; N44-I53 PolarHBondContact N-O 2.89Å; A45-I53 HydrophobicContact CB-CB 4.16Å; A45-I53 HydrophobicContact CB-CG1 4.19Å; A45-I53 PolarHBondContact N-O 3.45Å; A45-I53 PolarHBondContact O-N 2.89Å; I53-M84 HydrophobicContact CG2-CE 3.45Å; I53-M84 VanDerWaalsContact CG2-CE 3.45Å; I53-F86 HydrophobicContact CD1-CB 4.01Å; I53-F86 HydrophobicContact CD1-CD2 3.68Å; I53-F86 HydrophobicContact CD1-CG 4.34Å
54L97.7Very high95.4Very high0 Ų047.7 Ų47.70%025%0.253CS..EExtended strand (participates in β ladder)trans-110.7134.6177.6-58.5-177.4000110.5I29 V31 L39 R42 L43 M52 V57 M84 L85 V87I29-L54 HydrophobicContact CD1-CD2 3.96Å; I29-L54 HydrophobicContact CG1-CD2 4.25Å; V31-L54 HydrophobicContact CG2-CD1 4.45Å; L39-L54 HydrophobicContact CB-CD1 4.23Å; L39-L54 HydrophobicContact CD1-CD1 4.18Å; R42-L54 CarbonylContact O-C 3.56Å; R42-L54 VanDerWaalsContact O-CA 3.26Å; R42-L54 WeakPolarHBondContact O-CA 3.46Å; L43-L54 HydrophobicContact CB-CD2 4.29Å; L43-L54 HydrophobicContact CD1-CD2 3.73Å; M52-L54 HydrophobicContact CB-CD2 4.28Å; M52-L54 HydrophobicContact CB-CG 4.36Å; L54-V57 HydrophobicContact CB-CG2 3.39Å; L54-V57 WeakPolarHBondContact O-CG2 3.38Å; L54-M84 CarbonylContact O-C 3.57Å; L54-M84 WeakPolarHBondContact O-CA 3.25Å; L54-L85 PolarHBondContact N-O 2.92Å; L54-L85 PolarHBondContact O-N 2.81Å; L54-V87 HydrophobicContact CD1-CG2 4.08Å; L54-V87 HydrophobicContact CG-CG2 4.37Å
55G97.8Very high95Very high1 Ų149.2 Ų49.21%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-102.3156.3170.200000112.2G41 R42 V57 P83G41-G55 CarbonylContact C-O 3.58Å; G41-G55 WeakPolarHBondContact CA-O 3.39Å; R42-G55 PolarHBondContact N-O 2.87Å; R42-G55 PolarHBondContact O-N 3.2Å; G55-V57 VanDerWaalsContact C-N 3.3Å; G55-V57 PolarHBondContact O-N 3.27Å; G55-P83 CarbonylContact C-O 3.58Å; G55-P83 WeakPolarHBondContact CA-O 3.47Å
56D97.1Very high94.7Very high85 Ų8552.2 Ų52.246%0.45527%0.267SS..EExtended strand (participates in β ladder)trans49.849.5174.8-57.7-48.8000112.7R42 P83R42-D56 IonicContact CZ-OD2 2.75Å; R42-D56 IonicContact NH1-OD2 3.17Å; R42-D56 PolarHBondContact NH1-OD2 3.17Å; D56-P83 PolarHBondContact N-O 2.89Å
57V97.7Very high94.3Very high0 Ų052.1 Ų52.10%027%0.271CS..EExtended strand (participates in β ladder)trans-86.3136-166.2-168.30000111.2L39 R40 L54 G55 N81 I82 L85L39-V57 HydrophobicContact CB-CG1 4.26Å; L39-V57 HydrophobicContact CD2-CG1 4.08Å; R40-V57 CarbonylContact O-C 3.57Å; R40-V57 WeakPolarHBondContact O-CA 3.44Å; L54-V57 HydrophobicContact CB-CG2 3.39Å; L54-V57 WeakPolarHBondContact O-CG2 3.38Å; G55-V57 VanDerWaalsContact C-N 3.3Å; G55-V57 PolarHBondContact O-N 3.27Å; V57-N81 CarbonylContact O-C 3.6Å; V57-N81 VanDerWaalsContact O-CA 3.23Å; V57-N81 WeakPolarHBondContact O-CA 3.44Å; V57-I82 HydrophobicContact CB-CB 4.45Å; V57-I82 PolarHBondContact N-O 3.18Å; V57-I82 PolarHBondContact O-N 3.16Å; V57-L85 HydrophobicContact CG1-CD2 4.15Å; V57-L85 HydrophobicContact CG2-CB 3.98Å
58E97.4Very high94Very high54 Ų5457.8 Ų57.825%0.25230%0.295SS..EExtended strand (participates in β ladder)trans-108.9114163.6-176.8176.9125.600108.6L39 R40 K79 R80L39-E58 WeakPolarHBondContact CA-O 3.5Å; R40-E58 PolarHBondContact N-O 2.83Å; R40-E58 PolarHBondContact O-N 2.93Å; E58-K79 WeakPolarHBondContact OE1-CE 3.41Å; E58-K79 IonicContact OE1-NZ 3.8Å; E58-K79 PolarHBondContact OE1-NZ 2.89Å; E58-R80 CarbonylContact C-O 3.53Å; E58-R80 WeakPolarHBondContact CA-O 3.5Å
59E96.6Very high93.9Very high21 Ų2158.9 Ų58.910%0.09830%0.301CS..EExtended strand (participates in β ladder)trans-91131.9169.8-179.8-177.4-139.300109.4R37 E38 L39 V61 K79 R80R37-E59 IonicContact CZ-OE1 2.75Å; R37-E59 IonicContact NH1-OE1 2.76Å; R37-E59 PolarHBondContact NH1-OE1 2.88Å; R37-E59 IonicContact NH1-OE2 2.92Å; E38-E59 CarbonylContact O-C 3.59Å; E38-E59 WeakPolarHBondContact O-CA 3.28Å; L39-E59 HydrophobicContact CD2-CB 3.61Å; L39-E59 HydrophobicContact CD2-CG 3.72Å; E59-V61 HydrophobicContact CG-CG2 4.03Å; E59-K79 CarbonylContact O-C 3.54Å; E59-K79 VanDerWaalsContact O-CA 3.24Å; E59-K79 WeakPolarHBondContact O-CA 3.44Å; E59-R80 PolarHBondContact N-O 2.99Å; E59-R80 PolarHBondContact O-N 3.18Å
60T96.3Very high93.8Very high14 Ų1457.2 Ų57.29%0.08630%0.298CS..EExtended strand (participates in β ladder)trans-117125.5168.6-57.10000108.8R37 E38 T78 K79R37-T60 WeakPolarHBondContact CA-O 3.46Å; E38-T60 PolarHBondContact N-O 3.24Å; E38-T60 PolarHBondContact O-N 3.18Å; T60-T78 WeakPolarHBondContact CA-O 3.16Å; T60-K79 HydrophobicContact CG2-CG 4.27Å
61V95.2Very high93.5Very high26 Ų2663.1 Ų63.116%0.15832%0.318CS..EExtended strand (participates in β ladder)trans-113.4121.6174.3-173.40000108R37 E59 T63 S77 T78R37-V61 HydrophobicContact CG-CB 4.46Å; R37-V61 HydrophobicContact CG-CG1 4.13Å; R37-V61 HydrophobicContact CG-CG2 4.07Å; E59-V61 HydrophobicContact CG-CG2 4.03Å; V61-T63 HydrophobicContact CG1-CG2 4.46Å; V61-S77 WeakPolarHBondContact O-CA 3.2Å; V61-T78 PolarHBondContact N-O 3.07Å; V61-T78 PolarHBondContact O-N 3.41Å
62T92.8Very high93.2Very high43 Ų4367.9 Ų67.926%0.26434%0.339SS..EExtended strand (participates in β ladder)trans-100.8128.9176.6-57.20000109.5D36 Y75 K76D36-T62 PolarHBondContact O-N 2.88Å; T62-Y75 HydrophobicContact CG2-CD1 4.39Å; T62-K76 CarbonylContact C-O 3.5Å; T62-K76 WeakPolarHBondContact CA-O 3.48Å
63T91Very high92.9Very high64 Ų6473.1 Ų73.139%0.39336%0.363SS..EExtended strand (participates in β ladder)trans-123136.8176.354.20000109.4V61 K76V61-T63 HydrophobicContact CG1-CG2 4.46Å; T63-K76 PolarHBondContact N-O 3.44Å; T63-K76 PolarHBondContact O-N 3.11Å
64V89.9Confident92.5Very high70 Ų7074 Ų7442%0.42437%0.368SS..EExtended strand (participates in β ladder)trans-96.8117.5173.3-174.60000107.8E73 Y75V64-E73 HydrophobicContact CG1-CB 4Å; V64-E73 HydrophobicContact CG1-CG 4.08Å; V64-Y75 HydrophobicContact CG2-CD1 3.9Å; V64-Y75 HydrophobicContact CG2-CE1 3.7Å
65E87.5Confident92.1Very high87 Ų8781 Ų8141%0.40740%0.395SS..EExtended strand (participates in β ladder)trans-100.4136.3167.6-69.1-179.4-164.300108.1I74 K76E65-I74 HydrophobicContact CB-CB 4.5Å; E65-I74 PolarHBondContact N-O 3.26Å; E65-I74 PolarHBondContact O-N 2.75Å; E65-K76 WeakPolarHBondContact OE1-CD 3.32Å; E65-K76 WeakPolarHBondContact OE1-CE 3.48Å; E65-K76 IonicContact OE1-NZ 2.89Å; E65-K76 PolarHBondContact OE1-NZ 3.33Å; E65-K76 WeakPolarHBondContact OE2-CE 3.11Å; E65-K76 IonicContact OE2-NZ 2.61Å; E65-K76 PolarHBondContact OE2-NZ 3.25Å
66I88.9Confident91.9Very high105 Ų10585.4 Ų85.454%0.53841%0.414SS..EExtended strand (participates in β ladder)trans-106.3126.1177.2-58.1173.9000106.9E68I66-E68 PolarHBondContact O-N 2.81Å
67D87.3Confident91.7Very high57 Ų5785.2 Ų85.231%0.30542%0.419SS..  trans-67.4125.4172.3-172-68.3000109.8E69 T70 Y71 E72D67-E69 VanDerWaalsContact C-N 3.25Å; D67-E69 PolarHBondContact O-N 3.45Å; D67-E69 WeakPolarHBondContact OD1-CA 3.2Å; D67-E69 PolarHBondContact OD1-N 3.42Å; D67-T70 VanDerWaalsContact CB-OG1 3.28Å; D67-T70 WeakPolarHBondContact CB-OG1 3.3Å; D67-T70 VanDerWaalsContact CG-OG1 3.31Å; D67-T70 PolarHBondContact OD1-N 2.84Å; D67-T70 PolarHBondContact OD1-OG1 2.96Å; D67-Y71 WeakPolarHBondContact O-CA 3.48Å; D67-Y71 PolarHBondContact O-N 3.46Å; D67-E72 PolarHBondContact N-O 3.11Å
68E89.1Confident91.5Very high179 Ų17989.4 Ų89.484%0.83645%0.445SS*.THydrogen-bonded Turntrans-69.9-21.8-174.6-63.7-175.7174.100113.2I66I66-E68 PolarHBondContact O-N 2.81Å
69E90.4Very high91.4Very high175 Ų17592.4 Ų92.482%0.81846%0.458SS*.THydrogen-bonded Turntrans-95.7-43.7-178.7-63.1-171.9170.800111.7D67D67-E69 VanDerWaalsContact C-N 3.25Å; D67-E69 PolarHBondContact O-N 3.45Å; D67-E69 WeakPolarHBondContact OD1-CA 3.2Å; D67-E69 PolarHBondContact OD1-N 3.42Å
70T91.1Very high91.4Very high76 Ų7698.4 Ų98.447%0.46648%0.479SS..THydrogen-bonded Turntrans-97-13.5-174.968.10000113.8D67 E72D67-T70 VanDerWaalsContact CB-OG1 3.28Å; D67-T70 WeakPolarHBondContact CB-OG1 3.3Å; D67-T70 VanDerWaalsContact CG-OG1 3.31Å; D67-T70 PolarHBondContact OD1-N 2.84Å; D67-T70 PolarHBondContact OD1-OG1 2.96Å; T70-E72 PolarHBondContact O-N 2.94Å; T70-E72 WeakPolarHBondContact OG1-CB 3.31Å; T70-E72 WeakPolarHBondContact OG1-CG 3.45Å; T70-E72 PolarHBondContact OG1-N 3.05Å
71Y88.4Confident91.4Very high182 Ų182103.5 Ų103.571%0.71451%0.506SS*.  trans56.619.9-171.3-59-86.8000113.9D67D67-Y71 WeakPolarHBondContact O-CA 3.48Å; D67-Y71 PolarHBondContact O-N 3.46Å
72E91.1Very high91.5Very high129 Ų129104 Ų10460%0.60351%0.507SS*.  trans-77.3138.7176.4-69.2-177.1166.800111D67 T70D67-E72 PolarHBondContact N-O 3.11Å; T70-E72 PolarHBondContact O-N 2.94Å; T70-E72 WeakPolarHBondContact OG1-CB 3.31Å; T70-E72 WeakPolarHBondContact OG1-CG 3.45Å; T70-E72 PolarHBondContact OG1-N 3.05Å
73E90.3Very high91.7Very high111 Ų111106.8 Ų106.852%0.51953%0.526SS..EExtended strand (participates in β ladder)trans-85.6115.5176.3-68.3-176.317200111V64 Y75V64-E73 HydrophobicContact CG1-CB 4Å; V64-E73 HydrophobicContact CG1-CG 4.08Å; E73-Y75 HydrophobicContact CB-CE2 3.87Å; E73-Y75 PolarHBondContact OE2-OH 3.02Å
74I88.6Confident92Very high74 Ų74109 Ų10938%0.37953%0.533SS..EExtended strand (participates in β ladder)trans-102.1112.4176.7-55.5175.1000108.9E65 K76E65-I74 HydrophobicContact CB-CB 4.5Å; E65-I74 PolarHBondContact N-O 3.26Å; E65-I74 PolarHBondContact O-N 2.75Å; I74-K76 HydrophobicContact CG2-CG 4.39Å
75Y90.4Very high92.3Very high148 Ų148107.7 Ų107.758%0.5852%0.524SS*.EExtended strand (participates in β ladder)trans-85.6115.4177.5-65.8-97000110.3T62 V64 E73T62-Y75 HydrophobicContact CG2-CD1 4.39Å; V64-Y75 HydrophobicContact CG2-CD1 3.9Å; V64-Y75 HydrophobicContact CG2-CE1 3.7Å; E73-Y75 HydrophobicContact CB-CE2 3.87Å; E73-Y75 PolarHBondContact OE2-OH 3.02Å
76K92.3Very high92.8Very high94 Ų94109.7 Ų109.741%0.40953%0.532SS..EExtended strand (participates in β ladder)trans-109.1138.5172.7-69.7-176.5-173.9168.50110.3T62 T63 E65 I74T62-K76 CarbonylContact C-O 3.5Å; T62-K76 WeakPolarHBondContact CA-O 3.48Å; T63-K76 PolarHBondContact N-O 3.44Å; T63-K76 PolarHBondContact O-N 3.11Å; E65-K76 WeakPolarHBondContact OE1-CD 3.32Å; E65-K76 WeakPolarHBondContact OE1-CE 3.48Å; E65-K76 IonicContact OE1-NZ 2.89Å; E65-K76 PolarHBondContact OE1-NZ 3.33Å; E65-K76 WeakPolarHBondContact OE2-CE 3.11Å; E65-K76 IonicContact OE2-NZ 2.61Å; E65-K76 PolarHBondContact OE2-NZ 3.25Å; I74-K76 HydrophobicContact CG2-CG 4.39Å
77S92.6Very high93.2Very high80 Ų80105.1 Ų105.156%0.55951%0.508SS*.EExtended strand (participates in β ladder)trans-119.6129.9173.9590000110.2V61V61-S77 WeakPolarHBondContact O-CA 3.2Å
78T94.5Very high93.7Very high89 Ų89109.8 Ų109.855%0.54652%0.522SS..EExtended strand (participates in β ladder)trans-112.3134.2173-59.50000109T60 V61T60-T78 WeakPolarHBondContact CA-O 3.16Å; V61-T78 PolarHBondContact N-O 3.07Å; V61-T78 PolarHBondContact O-N 3.41Å
79K95.5Very high94.1Very high117 Ų117101.6 Ų101.651%0.50949%0.485SS..EExtended strand (participates in β ladder)trans-114.2143.7-179.7-66.4-170.2170.6-157.30112.5E58 E59 T60E58-K79 WeakPolarHBondContact OE1-CE 3.41Å; E58-K79 IonicContact OE1-NZ 3.8Å; E58-K79 PolarHBondContact OE1-NZ 2.89Å; E59-K79 CarbonylContact O-C 3.54Å; E59-K79 VanDerWaalsContact O-CA 3.24Å; E59-K79 WeakPolarHBondContact O-CA 3.44Å; T60-K79 HydrophobicContact CG2-CG 4.27Å
80R95.3Very high94.4Very high147 Ų14797.7 Ų97.756%0.55547%0.47SS*.EExtended strand (participates in β ladder)trans-139.4140.7176.1-66.2176.958.1-174.2-5.1110.6E58 E59E58-R80 CarbonylContact C-O 3.53Å; E58-R80 WeakPolarHBondContact CA-O 3.5Å; E59-R80 PolarHBondContact N-O 2.99Å; E59-R80 PolarHBondContact O-N 3.18Å
81N96.7Very high94.5Very high121 Ų12194.8 Ų94.865%0.64746%0.456SS*.EExtended strand (participates in β ladder)trans-106.5134.3174.5-62.884.2000110.4V57V57-N81 CarbonylContact O-C 3.6Å; V57-N81 VanDerWaalsContact O-CA 3.23Å; V57-N81 WeakPolarHBondContact O-CA 3.44Å
82I97.2Very high94.9Very high36 Ų3687.1 Ų87.119%0.18543%0.427CS..EExtended strand (participates in β ladder)trans-133.7121.7-175.5-58.1166.8000107.8V57 M84 L85V57-I82 HydrophobicContact CB-CB 4.45Å; V57-I82 PolarHBondContact N-O 3.18Å; V57-I82 PolarHBondContact O-N 3.16Å; I82-M84 VanDerWaalsContact C-N 3.34Å; I82-M84 VanDerWaalsContact CG2-O 3.31Å; I82-M84 WeakPolarHBondContact CG2-O 3.29Å; I82-M84 PolarHBondContact O-N 3.24Å; I82-L85 HydrophobicContact CD1-CD1 4.26Å; I82-L85 HydrophobicContact CD1-CD2 4.29Å; I82-L85 HydrophobicContact CG2-CB 4.15Å
83P97.2Very high95.1Very high101 Ų10185.4 Ų85.466%0.65643%0.425SS*.EExtended strand (participates in β ladder)trans-60.3-41-177-26.234.6000113.6G55 D56G55-P83 CarbonylContact C-O 3.58Å; G55-P83 WeakPolarHBondContact CA-O 3.47Å; D56-P83 PolarHBondContact N-O 2.89Å
84M97.1Very high95.3Very high111 Ų11184.2 Ų84.255%0.54742%0.422SS..EExtended strand (participates in β ladder)trans-145.4131.5179-77.7-69.4-73.700109.5N44 I53 L54 I82N44-M84 PolarHBondContact ND2-SD 3.42Å; N44-M84 VanDerWaalsContact ND2-SD 3.45Å; I53-M84 HydrophobicContact CG2-CE 3.45Å; I53-M84 VanDerWaalsContact CG2-CE 3.45Å; L54-M84 CarbonylContact O-C 3.57Å; L54-M84 WeakPolarHBondContact O-CA 3.25Å; I82-M84 VanDerWaalsContact C-N 3.34Å; I82-M84 VanDerWaalsContact CG2-O 3.31Å; I82-M84 WeakPolarHBondContact CG2-O 3.29Å; I82-M84 PolarHBondContact O-N 3.24Å
85L97.3Very high95.6Very high43 Ų4382.8 Ų82.823%0.22542%0.417CS..EExtended strand (participates in β ladder)trans-135.9129.9-176.8-176.264.1000110.7L39 L54 V57 I82 V87L39-L85 HydrophobicContact CD1-CD2 4.16Å; L39-L85 HydrophobicContact CD2-CD2 4.09Å; L54-L85 PolarHBondContact N-O 2.92Å; L54-L85 PolarHBondContact O-N 2.81Å; V57-L85 HydrophobicContact CG1-CD2 4.15Å; V57-L85 HydrophobicContact CG2-CB 3.98Å; I82-L85 HydrophobicContact CD1-CD1 4.26Å; I82-L85 HydrophobicContact CD1-CD2 4.29Å; I82-L85 HydrophobicContact CG2-CB 4.15Å; L85-V87 HydrophobicContact CD2-CG2 3.98Å; L85-V87 HydrophobicContact CG-CG2 4.05Å
86F97.8Very high95.7Very high129 Ų12977 Ų7757%0.56640%0.4SS*.EExtended strand (participates in β ladder)trans-87.7131.4163.1170.6-98.4000109.6N51 M52 I53 R88N51-F86 HydrophobicContact CB-CE2 4.07Å; N51-F86 HydrophobicContact CB-CZ 4.26Å; M52-F86 WeakPolarHBondContact O-CA 3.42Å; I53-F86 HydrophobicContact CD1-CB 4.01Å; I53-F86 HydrophobicContact CD1-CD2 3.68Å; I53-F86 HydrophobicContact CD1-CG 4.34Å; F86-R88 HydrophobicContact CE1-CB 4.43Å
87V97.3Very high95.2Very high8 Ų876.6 Ų76.65%0.04841%0.407CS..EExtended strand (participates in β ladder)trans-118.6131.8179.4-176.90000108.9M33 L39 N51 M52 L54 L85 V92M33-V87 HydrophobicContact CE-CG1 4.36Å; M33-V87 HydrophobicContact SD-CG1 3.65Å; L39-V87 HydrophobicContact CD1-CG1 4.25Å; L39-V87 HydrophobicContact CD1-CG2 3.61Å; N51-V87 CarbonylContact C-O 3.54Å; N51-V87 VanDerWaalsContact CA-O 3.28Å; N51-V87 WeakPolarHBondContact CA-O 3.5Å; M52-V87 HydrophobicContact CB-CB 4.32Å; M52-V87 PolarHBondContact N-O 2.75Å; M52-V87 PolarHBondContact O-N 3.16Å; L54-V87 HydrophobicContact CD1-CG2 4.08Å; L54-V87 HydrophobicContact CG-CG2 4.37Å; L85-V87 HydrophobicContact CD2-CG2 3.98Å; L85-V87 HydrophobicContact CG-CG2 4.05Å; V87-V92 HydrophobicContact CG1-CG2 4.15Å
88R97.5Very high94.3Very high155 Ų15574.7 Ų74.759%0.58539%0.392SS*.  trans-86.4133.2175.2-174.4179.2173.887.47.8110.6N51 F86 D90 G91N51-R88 WeakPolarHBondContact OD1-CA 3.41Å; F86-R88 HydrophobicContact CE1-CB 4.43Å; R88-D90 IonicContact CZ-OD2 2.85Å; R88-D90 IonicContact NE-OD2 3.89Å; R88-D90 PolarHBondContact NE-OD2 3.33Å; R88-D90 IonicContact NH2-OD2 3.97Å; R88-D90 PolarHBondContact NH2-OD2 2.93Å; R88-D90 PolarHBondContact O-N 3.49Å; R88-G91 PolarHBondContact O-N 3.12Å
89G96.4Very high93.1Very high7 Ų777.8 Ų77.87%0.07241%0.405CS..G310 helixtrans-66.1-28.5-172.900000116H49 L50 N51 G91 V92H49-G89 VanDerWaalsContact O-CA 3.29Å; H49-G89 WeakPolarHBondContact O-CA 3.38Å; L50-G89 VanDerWaalsContact C-CA 3.46Å; L50-G89 WeakPolarHBondContact O-CA 3.33Å; N51-G89 PolarHBondContact OD1-N 3.01Å; G89-G91 PolarHBondContact O-N 3.11Å; G89-V92 WeakPolarHBondContact O-CB 3.22Å; G89-V92 PolarHBondContact O-N 3Å
90D96.8Very high91.6Very high93 Ų9383.5 Ų83.550%0.49742%0.423SS..G310 helixtrans-56.6-28.1177.5-58.7-15.3000113.2R34 R88R34-D90 PolarHBondContact NE-O 2.87Å; R34-D90 VanDerWaalsContact NE-O 3.11Å; R34-D90 PolarHBondContact NH2-O 2.76Å; R88-D90 IonicContact CZ-OD2 2.85Å; R88-D90 IonicContact NE-OD2 3.89Å; R88-D90 PolarHBondContact NE-OD2 3.33Å; R88-D90 IonicContact NH2-OD2 3.97Å; R88-D90 PolarHBondContact NH2-OD2 2.93Å; R88-D90 PolarHBondContact O-N 3.49Å
91G94.8Very high89.7Confident16 Ų1683.2 Ų83.217%0.16544%0.437CS..G310 helixtrans-87.5-11.4179.800000114.5M33 R34 R88 G89M33-G91 CarbonylContact C-O 3.54Å; M33-G91 VanDerWaalsContact CA-O 3.25Å; M33-G91 WeakPolarHBondContact CA-O 3.16Å; R34-G91 PolarHBondContact N-O 3.19Å; R88-G91 PolarHBondContact O-N 3.12Å; G89-G91 PolarHBondContact O-N 3.11Å
92V96.3Very high87.1Confident20 Ų2084.2 Ų84.212%0.12148%0.477CS..EExtended strand (participates in β ladder)trans-79.9130.4-178.4178.60000109.3V31 M33 M52 V87 G89 V95V31-V92 HydrophobicContact CG1-CG1 3.92Å; V31-V92 HydrophobicContact CG1-CG2 4.18Å; M33-V92 HydrophobicContact SD-CG2 4.14Å; M52-V92 HydrophobicContact CE-CG1 4.06Å; M52-V92 HydrophobicContact CE-CG2 4.06Å; V87-V92 HydrophobicContact CG1-CG2 4.15Å; G89-V92 WeakPolarHBondContact O-CB 3.22Å; G89-V92 PolarHBondContact O-N 3Å; V92-V95 HydrophobicContact CG1-CG2 3.89Å
93V95.9Very high86.6Confident93 Ų9386.7 Ų86.756%0.56449%0.491SS*.EExtended strand (participates in β ladder)trans-106.9-41177.2-179.70000110.7K32 R34K32-V93 WeakPolarHBondContact O-CB 3.39Å; K32-V93 PolarHBondContact O-N 3.03Å; R34-V93 HydrophobicContact CG-CG2 3.65Å
94L94.7Very high86.1Confident86 Ų8685.9 Ų85.945%0.4548%0.483SS..EExtended strand (participates in β ladder)trans-149.8140.6-177162.3112.8000109.5Y30 V31 K32Y30-L94 HydrophobicContact CD1-CD2 4.15Å; Y30-L94 HydrophobicContact CE1-CD2 3.8Å; V31-L94 WeakPolarHBondContact CA-O 3.46Å; K32-L94 HydrophobicContact CB-CB 4.24Å; K32-L94 HydrophobicContact CB-CD2 4.06Å; K32-L94 PolarHBondContact N-O 2.84Å; K32-L94 PolarHBondContact O-N 2.85Å
95V93.9Very high85.5Confident44 Ų4484.5 Ų84.527%0.26748%0.479SS..EExtended strand (participates in β ladder)trans-116.1135164.3-175.50000108.7I21 I29 Y30 V31 M52 V92I21-V95 HydrophobicContact CD1-CB 4.26Å; I21-V95 HydrophobicContact CD1-CG1 3.85Å; I21-V95 HydrophobicContact CD1-CG2 4.09Å; I21-V95 HydrophobicContact CG1-CG1 4.26Å; I29-V95 HydrophobicContact CB-CG1 4.5Å; I29-V95 HydrophobicContact CD1-CG1 3.94Å; Y30-V95 WeakPolarHBondContact O-CA 3.37Å; V31-V95 HydrophobicContact CG1-CG2 4.46Å; V31-V95 HydrophobicContact CG2-CG2 4.45Å; M52-V95 HydrophobicContact CE-CG2 3.47Å; M52-V95 VanDerWaalsContact CE-CG2 3.47Å; V92-V95 HydrophobicContact CG1-CG2 3.89Å
96A91.6Very high84.8Confident28 Ų2886.9 Ų86.923%0.23149%0.494CS..EExtended strand (participates in β ladder)trans-124141.8172.500000110.7Y30Y30-A96 HydrophobicContact CD1-CB 4.12Å; Y30-A96 PolarHBondContact N-O 2.83Å; Y30-A96 PolarHBondContact O-N 3.48Å
97P82Confident84Confident85 Ų8584.3 Ų84.355%0.55249%0.49SS*.  trans-64.4171.2175.829.6-35.7000111.2L99P97-L99 PolarHBondContact O-N 3.16Å
98P74.2Confident83.1Confident39 Ų3989.4 Ų89.425%0.25352%0.519SS..  trans-54.8141.9174.7-13.921.8000110.5E27 R28 R100E27-P98 HydrophobicContact CB-CG 3.74Å; E27-P98 HydrophobicContact CG-CG 4.48Å; E27-P98 WeakPolarHBondContact OE2-CD 3.24Å; E27-P98 WeakPolarHBondContact OE2-CG 3.41Å; R28-P98 VanDerWaalsContact O-CA 3.31Å; R28-P98 WeakPolarHBondContact O-CA 3.44Å; R28-P98 VanDerWaalsContact O-CB 3.3Å; R28-P98 WeakPolarHBondContact O-CB 3.24Å; R28-P98 WeakPolarHBondContact O-CG 3.34Å; P98-R100 PolarHBondContact O-N 3.17Å
99L69.1Low82Confident154 Ų15484.7 Ų84.781%0.80651%0.514SS*.  trans-61.1104.7166.6-70166.9000107.3P97 V101P97-L99 PolarHBondContact O-N 3.16Å; L99-V101 PolarHBondContact O-N 3.13Å
100R63.6Low80.9Confident238 Ų23890.7 Ų90.790%0.89855%0.548SS*.  trans-68.390.7166.5-74.4-177.4179.3147.52.2106.8P98 G102P98-R100 PolarHBondContact O-N 3.17Å; R100-G102 PolarHBondContact O-N 3.16Å; R100-G102 VanDerWaalsContact O-N 3.16Å
101V55.8Low79.6Confident140 Ų14090.5 Ų90.585%0.84855%0.553SS**  trans-70.6106.4166.9-156.60000105.1L99L99-V101 PolarHBondContact O-N 3.13Å
102G43.5Very low78.2Confident143 Ų14397.3 Ų97.3100%1.47459%0.588SS**  trans-71.30174.700000112.4R100R100-G102 PolarHBondContact O-N 3.16Å; R100-G102 VanDerWaalsContact O-N 3.16Å

Retrieved 102 of 102 residues in 55.6 ms (Link to these results)