A0A087Y376_POEFO Loading...

U6 snRNA-associated Sm-like protein LSm7

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 A0A087Y376, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 113 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
1F45.8Very low54.9Low258 Ų258144.5 Ų144.5100%1.13270%0.698SS**  01350-60.2-90.3000108.3
2K51Low54.7Low197 Ų197144.1 Ų144.186%0.85769%0.694SS**  trans89.7101.6-166-54.9173.8-178.6-177.90112.5
3N51Low54.6Low150 Ų150141.9 Ų141.980%0.80269%0.689SS**SBendtrans174.3-8.1151.2-88.60.6000113.4
4N56.1Low54.5Low135 Ų135145.1 Ų145.172%0.72270%0.697SS**Hα-helixtrans-89.9-27.5178.2-13823.9000113.7L8N4-L8 PolarHBondContact O-N 3.2Å
5T58.8Low54.6Low91 Ų91146.6 Ų146.656%0.55870%0.703SS**Hα-helixtrans-68.2-47.5-177.3-25.40000111.3K7 L8 W9T5-K7 VanDerWaalsContact C-N 3.28Å; T5-K7 PolarHBondContact O-N 3.33Å; T5-L8 VanDerWaalsContact O-CB 3.3Å; T5-L8 WeakPolarHBondContact O-CB 3.45Å; T5-L8 PolarHBondContact O-N 2.67Å; T5-W9 PolarHBondContact O-N 2.72Å; T5-W9 VanDerWaalsContact O-N 3.12Å
6A58.7Low54.8Low50 Ų50148.1 Ų148.141%0.41371%0.705SS.*Hα-helixtrans-57.9-39.4179.500000112.5L8 W9 F10A6-L8 VanDerWaalsContact C-N 3.29Å; A6-L8 PolarHBondContact O-N 3.44Å; A6-W9 PolarHBondContact O-N 3.12Å; A6-F10 WeakPolarHBondContact O-CD2 3.4Å; A6-F10 PolarHBondContact O-N 3.21Å
7K55Low55.1Low139 Ų139150.8 Ų150.860%0.60471%0.714SS**Hα-helixtrans-64.8-33.6177.7-156.5175-174.5178.60112.3T5 L11T5-K7 VanDerWaalsContact C-N 3.28Å; T5-K7 PolarHBondContact O-N 3.33Å; K7-L11 HydrophobicContact CG-CD1 4.46Å; K7-L11 WeakPolarHBondContact O-CD1 3.1Å; K7-L11 WeakPolarHBondContact O-CG 3.07Å; K7-L11 PolarHBondContact O-N 3.4Å
8L58.3Low55.5Low118 Ų118152.8 Ų152.862%0.61872%0.719SS**Hα-helixtrans-68.4-41.7174.1-153.375.2000111.4N4 T5 A6 L11 Q12N4-L8 PolarHBondContact O-N 3.2Å; T5-L8 VanDerWaalsContact O-CB 3.3Å; T5-L8 WeakPolarHBondContact O-CB 3.45Å; T5-L8 PolarHBondContact O-N 2.67Å; A6-L8 VanDerWaalsContact C-N 3.29Å; A6-L8 PolarHBondContact O-N 3.44Å; L8-L11 PolarHBondContact O-N 2.95Å; L8-Q12 PolarHBondContact O-N 3.01Å
9W57.3Low55.9Low174 Ų174155.8 Ų155.866%0.65973%0.729SS**Hα-helixtrans-63-42.7174.8-66.5101.1000112.3T5 A6 L11 Q12T5-W9 PolarHBondContact O-N 2.72Å; T5-W9 VanDerWaalsContact O-N 3.12Å; A6-W9 PolarHBondContact O-N 3.12Å; W9-L11 PolarHBondContact O-N 2.99Å; W9-Q12 PolarHBondContact O-N 3.28Å
10F55.1Low56.3Low164 Ų164156.7 Ų156.772%0.71973%0.733SS**Hα-helixtrans-71.2-25.8179.6-77.8-67.8000114.4A6A6-F10 WeakPolarHBondContact O-CD2 3.4Å; A6-F10 PolarHBondContact O-N 3.21Å
11L56.5Low57Low114 Ų114152.3 Ų152.360%0.59772%0.72SS**Hα-helixtrans-79.6-28.5176.4-79.3163.4000112.4K7 L8 W9 K14K7-L11 HydrophobicContact CG-CD1 4.46Å; K7-L11 WeakPolarHBondContact O-CD1 3.1Å; K7-L11 WeakPolarHBondContact O-CG 3.07Å; K7-L11 PolarHBondContact O-N 3.4Å; L8-L11 PolarHBondContact O-N 2.95Å; W9-L11 PolarHBondContact O-N 2.99Å; L11-K14 PolarHBondContact O-N 3.44Å
12Q52.7Low58.8Low139 Ų139148.8 Ų148.865%0.6571%0.711SS**Hα-helixtrans-75-25.5-176.3-152.5164.712.200113.1L8 W9 K14L8-Q12 PolarHBondContact O-N 3.01Å; W9-Q12 PolarHBondContact O-N 3.28Å; Q12-K14 VanDerWaalsContact C-N 3.3Å; Q12-K14 PolarHBondContact O-N 3.45Å
13D53.5Low60.3Low116 Ų116143 Ų14362%0.6269%0.686SS**G310 helixtrans-75.2-16.3176.6-88.7-38.2000114E15D13-E15 VanDerWaalsContact C-N 3.34Å
14K53.5Low62.1Low187 Ų187139.1 Ų139.181%0.81367%0.665SS**G310 helixtrans-83.3-9-177-129.2-179.5-178.4-178.60114L11 Q12L11-K14 PolarHBondContact O-N 3.44Å; Q12-K14 VanDerWaalsContact C-N 3.3Å; Q12-K14 PolarHBondContact O-N 3.45Å
15E55.2Low63.9Low167 Ų167132.7 Ų132.778%0.7863%0.631SS**G310 helixtrans-112.632.9-179.3-67.3-147.8145.600113.9D13 K17D13-E15 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.25Å
16K58.7Low65.6Low171 Ų171131.6 Ų131.674%0.74363%0.627SS**  trans-68.589.3156.4-77.2-179.8-177.9163.70107.6K18K16-K18 PolarHBondContact O-N 3.43Å
17K60Low67.2Low194 Ų194135.8 Ų135.884%0.84364%0.636SS**  trans-43118.4167.6-80-177176178.40107.3E15 K19E15-K17 PolarHBondContact O-N 3.25Å; K17-K19 PolarHBondContact O-N 3.18Å; K17-K19 VanDerWaalsContact O-N 3.15Å
18K61.3Low69.2Low187 Ų187131.7 Ų131.781%0.81362%0.617SS**  trans-51127.1172-86.7-179175.2178.40106.3K16 E20K16-K18 PolarHBondContact O-N 3.43Å; K18-E20 PolarHBondContact O-N 3.04Å
19K64.6Low71Confident209 Ų209128.9 Ų128.991%0.90960%0.602SS**  trans-65.891.3168.5-77.6-176.2176.6-178.10106.1K17 S21K17-K19 PolarHBondContact O-N 3.18Å; K17-K19 VanDerWaalsContact O-N 3.15Å; K19-S21 PolarHBondContact O-N 3.12Å
20E63.3Low73Confident173 Ų173125.6 Ų125.681%0.80860%0.597SS**  trans-65.4130.4173.9-69.2178.9178.900107.6K18 I22K18-E20 PolarHBondContact O-N 3.04Å; E20-I22 PolarHBondContact O-N 3.34Å
21S71.1Confident75Confident65 Ų65123.4 Ų123.446%0.45559%0.587SS.*  trans-61.1132.1171.3172.20000108K19 F23K19-S21 PolarHBondContact O-N 3.12Å; S21-F23 PolarHBondContact O-N 3.35Å; S21-F23 VanDerWaalsContact O-N 3.08Å; S21-F23 PolarHBondContact OG-N 2.89Å; S21-F23 VanDerWaalsContact OG-N 3.13Å; S21-F23 PolarHBondContact OG-O 3.34Å
22I82.4Confident76.9Confident184 Ų184120.7 Ų120.794%0.94458%0.576SS**SBendtrans-61.4-14.6171.859.7168.5000112.3E20E20-I22 PolarHBondContact O-N 3.34Å
23F82.8Confident79.1Confident75 Ų75114 Ų11433%0.32955%0.545SS..SBendtrans-111.8112.2-176.9-164.6-112.7000110.1S21 L25 Y28 I94S21-F23 PolarHBondContact O-N 3.35Å; S21-F23 VanDerWaalsContact O-N 3.08Å; S21-F23 PolarHBondContact OG-N 2.89Å; S21-F23 VanDerWaalsContact OG-N 3.13Å; S21-F23 PolarHBondContact OG-O 3.34Å; F23-L25 HydrophobicContact CD1-CD2 3.88Å; F23-L25 HydrophobicContact CD1-CG 3.87Å; F23-L25 HydrophobicContact CE1-CD2 3.47Å; F23-L25 VanDerWaalsContact CE1-CD2 3.47Å; F23-L25 HydrophobicContact CE1-CG 4.01Å; F23-L25 PolarHBondContact O-N 2.97Å; F23-Y28 HydrophobicContact CE1-CE2 4.35Å; F23-Y28 HydrophobicContact CE2-CE2 4.35Å; F23-Y28 HydrophobicContact CZ-CD2 4.46Å; F23-Y28 AromaticContact CZ-CE2 3.8Å; F23-Y28 HydrophobicContact CZ-CE2 3.8Å; F23-I94 HydrophobicContact CE1-CB 4.32Å; F23-I94 HydrophobicContact CE1-CG2 4.27Å
24D89.4Confident81.1Confident70 Ų70110.4 Ų110.437%0.37452%0.522SS..  trans-89.798.7178.4178.818.7000110.7S26 K27D24-S26 PolarHBondContact O-N 2.92Å; D24-S26 WeakPolarHBondContact OD1-CB 3.3Å; D24-S26 PolarHBondContact OD1-N 2.8Å; D24-S26 PolarHBondContact OD1-OG 3.17Å; D24-K27 VanDerWaalsContact OD2-CE 3.28Å; D24-K27 WeakPolarHBondContact OD2-CE 3.28Å
25L92.9Very high83.2Confident0 Ų0101.5 Ų101.50%048%0.483CS..G310 helixtrans-72.1-14.8177.3-78.8170.5000113.4F23 K27 Y28 L47 F50 L54 L56 I94F23-L25 HydrophobicContact CD1-CD2 3.88Å; F23-L25 HydrophobicContact CD1-CG 3.87Å; F23-L25 HydrophobicContact CE1-CD2 3.47Å; F23-L25 VanDerWaalsContact CE1-CD2 3.47Å; F23-L25 HydrophobicContact CE1-CG 4.01Å; F23-L25 PolarHBondContact O-N 2.97Å; L25-K27 PolarHBondContact O-N 3.18Å; L25-K27 VanDerWaalsContact O-N 3.15Å; L25-Y28 HydrophobicContact CD2-CD2 4.42Å; L25-Y28 PolarHBondContact O-N 2.84Å; L25-L47 HydrophobicContact CB-CD2 4.26Å; L25-L47 HydrophobicContact CD2-CD2 4.17Å; L25-F50 HydrophobicContact CB-CD1 3.53Å; L25-F50 HydrophobicContact CB-CD2 3.79Å; L25-F50 HydrophobicContact CB-CE1 3.5Å; L25-F50 HydrophobicContact CB-CE2 3.75Å; L25-F50 HydrophobicContact CB-CG 3.69Å; L25-F50 HydrophobicContact CB-CZ 3.62Å; L25-F50 HydrophobicContact CD1-CB 3.85Å; L25-F50 HydrophobicContact CD1-CD1 4.35Å; L25-F50 HydrophobicContact CD1-CD2 3.75Å; L25-F50 HydrophobicContact CD1-CE2 4.43Å; L25-F50 HydrophobicContact CD1-CG 3.71Å; L25-F50 HydrophobicContact CG-CD2 4.4Å; L25-F50 HydrophobicContact CG-CG 4.36Å; L25-L54 HydrophobicContact CD1-CD2 3.7Å; L25-L56 HydrophobicContact CD1-CD2 3.75Å; L25-I94 HydrophobicContact CD1-CD1 4.3Å; L25-I94 HydrophobicContact CD2-CD1 4.08Å; L25-I94 HydrophobicContact CD2-CG2 4.15Å
26S94.5Very high85.1Confident68 Ų6897.8 Ų97.848%0.47647%0.465SS..G310 helixtrans-59.8-30.8-179.3-39.80000111.7D24 Y28 I29D24-S26 PolarHBondContact O-N 2.92Å; D24-S26 WeakPolarHBondContact OD1-CB 3.3Å; D24-S26 PolarHBondContact OD1-N 2.8Å; D24-S26 PolarHBondContact OD1-OG 3.17Å; S26-Y28 PolarHBondContact O-N 2.85Å; S26-I29 PolarHBondContact O-N 3.45Å
27K93.9Very high86.9Confident137 Ų13790.9 Ų90.960%0.59644%0.435SS*.G310 helixtrans-65.9-15.8177.2-61.9176.7-176.8175.80114.1D24 L25 K31D24-K27 VanDerWaalsContact OD2-CE 3.28Å; D24-K27 WeakPolarHBondContact OD2-CE 3.28Å; L25-K27 PolarHBondContact O-N 3.18Å; L25-K27 VanDerWaalsContact O-N 3.15Å; K27-K31 PolarHBondContact O-NZ 3.46Å
28Y95.9Very high88.6Confident53 Ų5388.5 Ų88.521%0.20843%0.427CS..G310 helixtrans-112.63-176.7-55.7-72.1000113.2F23 L25 S26 D30 K31 I33 L47 P96F23-Y28 HydrophobicContact CE1-CE2 4.35Å; F23-Y28 HydrophobicContact CE2-CE2 4.35Å; F23-Y28 HydrophobicContact CZ-CD2 4.46Å; F23-Y28 AromaticContact CZ-CE2 3.8Å; F23-Y28 HydrophobicContact CZ-CE2 3.8Å; L25-Y28 HydrophobicContact CD2-CD2 4.42Å; L25-Y28 PolarHBondContact O-N 2.84Å; S26-Y28 PolarHBondContact O-N 2.85Å; Y28-D30 PolarHBondContact O-N 2.96Å; Y28-K31 WeakPolarHBondContact O-CB 3.49Å; Y28-K31 PolarHBondContact O-N 3.15Å; Y28-I33 HydrophobicContact CG-CG2 4.41Å; Y28-L47 WeakPolarHBondContact O-CB 3.24Å; Y28-P96 HydrophobicContact CD1-CB 4.08Å; Y28-P96 HydrophobicContact CE1-CB 3.72Å; Y28-P96 HydrophobicContact CE1-CG 3.98Å
29I97.3Very high89.9Confident59 Ų5982.1 Ų82.130%0.30341%0.414SS..THydrogen-bonded Turntrans-56.2137.6170.5-69.3-71.8000109.6S26 K31 L47 F50S26-I29 PolarHBondContact O-N 3.45Å; I29-K31 PolarHBondContact O-N 3.05Å; I29-K31 VanDerWaalsContact O-N 3.12Å; I29-L47 HydrophobicContact CD1-CD2 4.29Å; I29-L47 HydrophobicContact CD1-CG 4.16Å; I29-F50 HydrophobicContact CD1-CD1 4.11Å; I29-F50 HydrophobicContact CD1-CE1 4.2Å; I29-F50 HydrophobicContact CG1-CE1 4.35Å
30D97.7Very high91.2Very high105 Ų10573.8 Ų73.856%0.56139%0.388SS*.THydrogen-bonded Turntrans58.915.5-175.4-65.7-51.2000115Y28 L47 K48Y28-D30 PolarHBondContact O-N 2.96Å; D30-L47 PolarHBondContact N-O 3Å; D30-K48 IonicContact OD1-NZ 2.72Å; D30-K48 PolarHBondContact OD1-NZ 3.37Å
31K97.6Very high92.6Very high118 Ų11870.7 Ų70.751%0.51337%0.368SS..SBendtrans-108.1151.1170.1-59.8-178-174.3163.20110.6K27 Y28 I29 I33 V46 L47K27-K31 PolarHBondContact O-NZ 3.46Å; Y28-K31 WeakPolarHBondContact O-CB 3.49Å; Y28-K31 PolarHBondContact O-N 3.15Å; I29-K31 PolarHBondContact O-N 3.05Å; I29-K31 VanDerWaalsContact O-N 3.12Å; K31-I33 PolarHBondContact O-N 3.42Å; K31-V46 WeakPolarHBondContact O-CA 3.49Å; K31-L47 PolarHBondContact O-N 3.47Å
32T97.6Very high93.8Very high57 Ų5767.8 Ų67.835%0.3535%0.348SS..EExtended strand (participates in β ladder)trans-73.2126.2172.4-47.20000109.8G45 Q97T32-G45 WeakPolarHBondContact CA-O 3.49Å; T32-Q97 HydrophobicContact CG2-CB 4.22Å; T32-Q97 WeakPolarHBondContact O-CB 3.41Å; T32-Q97 PolarHBondContact O-N 3.42Å; T32-Q97 VanDerWaalsContact O-N 3.1Å
33I97.3Very high94.5Very high0 Ų059.3 Ų59.30%031%0.305CS..EExtended strand (participates in β ladder)trans-119.7153.3173.361.6169.3000109.4Y28 K31 V35 S44 G45 L47 L56 L58 I94 C95Y28-I33 HydrophobicContact CG-CG2 4.41Å; K31-I33 PolarHBondContact O-N 3.42Å; I33-V35 HydrophobicContact CD1-CG2 3.87Å; I33-V35 HydrophobicContact CG1-CG2 4.11Å; I33-S44 VanDerWaalsContact O-CA 3.26Å; I33-S44 WeakPolarHBondContact O-CA 3.31Å; I33-G45 PolarHBondContact N-O 2.95Å; I33-G45 PolarHBondContact O-N 2.78Å; I33-L47 HydrophobicContact CD1-CB 4Å; I33-L47 HydrophobicContact CD1-CD1 4Å; I33-L47 HydrophobicContact CD1-CD2 4.31Å; I33-L47 HydrophobicContact CD1-CG 4.32Å; I33-L47 HydrophobicContact CG1-CB 4.23Å; I33-L56 HydrophobicContact CD1-CD1 4.29Å; I33-L58 HydrophobicContact CD1-CD2 3.89Å; I33-L58 HydrophobicContact CG1-CD2 3.94Å; I33-I94 HydrophobicContact CB-CG2 4.42Å; I33-I94 HydrophobicContact CD1-CG2 3.85Å; I33-C95 CarbonylContact C-O 3.53Å; I33-C95 WeakPolarHBondContact CA-O 3.34Å; I33-C95 WeakPolarHBondContact CB-O 3.49Å
34R96.6Very high95.2Very high39 Ų3956 Ų5615%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-109132.6170.8-170.9168.4-144.1-1316109.2E42 A43 S44 Y64 C95R34-E42 WeakPolarHBondContact CD-OE1 3.42Å; R34-E42 HydrophobicContact CG-CG 3.99Å; R34-E42 VanDerWaalsContact CG-OE1 3.32Å; R34-E42 WeakPolarHBondContact CG-OE1 3.18Å; R34-E42 IonicContact CZ-OE1 2.99Å; R34-E42 IonicContact CZ-OE2 3.64Å; R34-E42 IonicContact NE-OE1 3.12Å; R34-E42 PolarHBondContact NE-OE1 3.46Å; R34-E42 VanDerWaalsContact NE-OE1 3.12Å; R34-E42 IonicContact NH1-OE1 2.67Å; R34-E42 PolarHBondContact NH1-OE1 2.86Å; R34-E42 IonicContact NH1-OE2 3.29Å; R34-E42 PolarHBondContact NH1-OE2 3.03Å; R34-E42 IonicContact NH2-OE1 3.87Å; R34-E42 IonicContact NH2-OE2 3.85Å; R34-A43 CarbonylContact C-O 3.51Å; R34-A43 WeakPolarHBondContact CA-O 3.37Å; R34-S44 WeakPolarHBondContact CB-OG 3.47Å; R34-S44 WeakPolarHBondContact CG-OG 3.4Å; R34-Y64 VanDerWaalsContact NE-CE2 3.33Å; R34-Y64 VanDerWaalsContact NH2-CD1 3.31Å; R34-Y64 VanDerWaalsContact NH2-CE2 3.3Å; R34-Y64 VanDerWaalsContact NH2-CG 3.26Å; R34-C95 PolarHBondContact N-O 3.45Å; R34-C95 PolarHBondContact O-N 2.95Å; R34-C95 PolarHBondContact O-SG 3.08Å
35V97.1Very high95.6Very high0 Ų052.8 Ų52.80%028%0.275CS..EExtended strand (participates in β ladder)trans-126.9127.6-172.1-172.90000109I33 F37 E42 A43 L56 L58 V91 L93 I94I33-V35 HydrophobicContact CD1-CG2 3.87Å; I33-V35 HydrophobicContact CG1-CG2 4.11Å; V35-F37 HydrophobicContact CB-CE2 4.26Å; V35-F37 HydrophobicContact CB-CZ 4.28Å; V35-F37 HydrophobicContact CG1-CE1 4.13Å; V35-F37 HydrophobicContact CG1-CE2 3.99Å; V35-F37 HydrophobicContact CG1-CZ 3.71Å; V35-E42 WeakPolarHBondContact O-CA 3.36Å; V35-A43 PolarHBondContact N-O 2.96Å; V35-A43 PolarHBondContact O-N 3.15Å; V35-L56 HydrophobicContact CG1-CD1 4.19Å; V35-L56 HydrophobicContact CG2-CD1 3.84Å; V35-L58 HydrophobicContact CG2-CD1 4.23Å; V35-V91 HydrophobicContact CG1-CG1 3.99Å; V35-V91 HydrophobicContact CG1-CG2 4.15Å; V35-L93 WeakPolarHBondContact CA-O 3.39Å; V35-I94 HydrophobicContact CG1-CG1 4.37Å; V35-I94 HydrophobicContact CG2-CG1 4.48Å
36K96Very high95.9Very high89 Ų8954.5 Ų54.539%0.38729%0.285SS..EExtended strand (participates in β ladder)trans-102.7141.9170-65.6-175.7171.6-174.70109.9E42 V92 L93K36-E42 WeakPolarHBondContact CE-OE1 3.27Å; K36-E42 WeakPolarHBondContact CE-OE2 3.18Å; K36-E42 HydrophobicContact CG-CB 4.34Å; K36-E42 HydrophobicContact CG-CG 3.97Å; K36-E42 IonicContact NZ-OE2 3.82Å; K36-V92 VanDerWaalsContact C-CG2 3.49Å; K36-V92 HydrophobicContact CB-CG2 3.76Å; K36-V92 WeakPolarHBondContact O-CG2 3.32Å; K36-V92 PolarHBondContact O-N 3.14Å; K36-L93 HydrophobicContact CB-CB 4.19Å; K36-L93 HydrophobicContact CD-CD2 4.41Å; K36-L93 HydrophobicContact CG-CD2 4.39Å; K36-L93 PolarHBondContact N-O 2.81Å; K36-L93 PolarHBondContact O-N 3.11Å
37F96.1Very high96.1Very high26 Ų2651.3 Ų51.311%0.11426%0.263CS..EExtended strand (participates in β ladder)trans-110.3154.5177.3-59.7-86.7000111.3V35 G39 G40 R41 A43 C86 S90 V91V35-F37 HydrophobicContact CB-CE2 4.26Å; V35-F37 HydrophobicContact CB-CZ 4.28Å; V35-F37 HydrophobicContact CG1-CE1 4.13Å; V35-F37 HydrophobicContact CG1-CE2 3.99Å; V35-F37 HydrophobicContact CG1-CZ 3.71Å; F37-G39 PolarHBondContact O-N 3.15Å; F37-G40 PolarHBondContact O-N 2.83Å; F37-R41 HydrophobicContact CB-CB 4.28Å; F37-R41 HydrophobicContact CD2-CB 4.22Å; F37-R41 PolarHBondContact N-O 2.85Å; F37-A43 HydrophobicContact CE2-CB 4.24Å; F37-C86 HydrophobicContact CE1-CB 3.84Å; F37-C86 HydrophobicContact CZ-CB 3.77Å; F37-S90 CarbonylContact C-O 3.58Å; F37-S90 WeakPolarHBondContact CA-O 3.3Å; F37-V91 HydrophobicContact CD1-CG2 4.2Å; F37-V91 HydrophobicContact CE1-CG2 3.82Å
38Q94.5Very high96.3Very high145 Ų14549 Ų4968%0.67825%0.253SS*.THydrogen-bonded Turntrans-53.6137.2166-170.3179.321.500109.3G40 S90 V92Q38-G40 VanDerWaalsContact C-N 3.34Å; Q38-S90 PolarHBondContact N-O 3Å; Q38-V92 HydrophobicContact CB-CG1 4.04Å
39G89.8Confident96.4Very high52 Ų5247.3 Ų47.354%0.53625%0.252SS..THydrogen-bonded Turntrans81.214.2-174.100000113.7F37 R41 R66F37-G39 PolarHBondContact O-N 3.15Å; G39-R41 PolarHBondContact O-N 3.49Å; G39-R66 PolarHBondContact O-NH1 3.04Å; G39-R66 PolarHBondContact O-NH2 2.88Å
40G91Very high96.4Very high35 Ų3548.2 Ų48.236%0.36125%0.254SS..SBendtrans92.2-11.6160.900000116.4F37 Q38 R66F37-G40 PolarHBondContact O-N 2.83Å; Q38-G40 VanDerWaalsContact C-N 3.34Å; G40-R66 WeakPolarHBondContact O-CD 3.15Å
41R93.8Very high96.3Very high107 Ų10745.7 Ų45.740%0.40424%0.24SC..  trans-60.5142.5178.7-63.1-177.773-142.19.5110.9F37 G39 E63F37-R41 HydrophobicContact CB-CB 4.28Å; F37-R41 HydrophobicContact CD2-CB 4.22Å; F37-R41 PolarHBondContact N-O 2.85Å; G39-R41 PolarHBondContact O-N 3.49Å; R41-E63 IonicContact CZ-OE1 3.1Å; R41-E63 IonicContact NE-OE1 2.74Å; R41-E63 PolarHBondContact NE-OE1 2.82Å; R41-E63 IonicContact NH2-OE1 2.71Å; R41-E63 PolarHBondContact NH2-OE1 3.08Å; R41-E63 IonicContact NH2-OE2 2.94Å; R41-E63 PolarHBondContact NH2-OE2 3.18Å
42E95.8Very high95.9Very high4 Ų445.9 Ų45.92%0.01925%0.253CS..EExtended strand (participates in β ladder)trans-132.7137.2178.2-173.9156.9-159.900109.8R34 V35 K36 Y64 L74R34-E42 WeakPolarHBondContact CD-OE1 3.42Å; R34-E42 HydrophobicContact CG-CG 3.99Å; R34-E42 VanDerWaalsContact CG-OE1 3.32Å; R34-E42 WeakPolarHBondContact CG-OE1 3.18Å; R34-E42 IonicContact CZ-OE1 2.99Å; R34-E42 IonicContact CZ-OE2 3.64Å; R34-E42 IonicContact NE-OE1 3.12Å; R34-E42 PolarHBondContact NE-OE1 3.46Å; R34-E42 VanDerWaalsContact NE-OE1 3.12Å; R34-E42 IonicContact NH1-OE1 2.67Å; R34-E42 PolarHBondContact NH1-OE1 2.86Å; R34-E42 IonicContact NH1-OE2 3.29Å; R34-E42 PolarHBondContact NH1-OE2 3.03Å; R34-E42 IonicContact NH2-OE1 3.87Å; R34-E42 IonicContact NH2-OE2 3.85Å; V35-E42 WeakPolarHBondContact O-CA 3.36Å; K36-E42 WeakPolarHBondContact CE-OE1 3.27Å; K36-E42 WeakPolarHBondContact CE-OE2 3.18Å; K36-E42 HydrophobicContact CG-CB 4.34Å; K36-E42 HydrophobicContact CG-CG 3.97Å; K36-E42 IonicContact NZ-OE2 3.82Å; E42-Y64 HydrophobicContact CB-CD2 4.29Å; E42-Y64 HydrophobicContact CG-CD2 3.95Å; E42-Y64 PolarHBondContact O-N 3.12Å; E42-L74 HydrophobicContact CB-CD2 4.27Å; E42-L74 WeakPolarHBondContact OE2-CD1 3.39Å
43A97Very high95.6Very high7 Ų749.3 Ų49.36%0.05827%0.269CS..EExtended strand (participates in β ladder)trans-141.4149.817800000111.3R34 V35 F37 T61 I62R34-A43 CarbonylContact C-O 3.51Å; R34-A43 WeakPolarHBondContact CA-O 3.37Å; V35-A43 PolarHBondContact N-O 2.96Å; V35-A43 PolarHBondContact O-N 3.15Å; F37-A43 HydrophobicContact CE2-CB 4.24Å; A43-T61 HydrophobicContact CB-CG2 4.02Å; A43-I62 CarbonylContact C-O 3.54Å; A43-I62 WeakPolarHBondContact CA-O 3.46Å; A43-I62 WeakPolarHBondContact CB-O 3.41Å
44S97.4Very high95.5Very high4 Ų451.9 Ų51.93%0.02828%0.282CS..EExtended strand (participates in β ladder)trans-121.9144.3171.5-77.70000110.2I33 R34 T61 I62 Y64 Q97I33-S44 VanDerWaalsContact O-CA 3.26Å; I33-S44 WeakPolarHBondContact O-CA 3.31Å; R34-S44 WeakPolarHBondContact CB-OG 3.47Å; R34-S44 WeakPolarHBondContact CG-OG 3.4Å; S44-T61 CarbonylContact O-C 3.47Å; S44-T61 VanDerWaalsContact O-CA 3.3Å; S44-T61 WeakPolarHBondContact O-CA 3.14Å; S44-I62 PolarHBondContact N-O 3.5Å; S44-I62 PolarHBondContact O-N 2.94Å; S44-Y64 PolarHBondContact OG-OH 2.92Å; S44-Q97 PolarHBondContact OG-OE1 3.46Å
45G98.1Very high95.5Very high3 Ų352 Ų523%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-173.9168.6176.600000111.9T32 I33T32-G45 WeakPolarHBondContact CA-O 3.49Å; I33-G45 PolarHBondContact N-O 2.95Å; I33-G45 PolarHBondContact O-N 2.78Å
46V98.4Very high95.5Very high37 Ų3752 Ų5222%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-78.8121.5178.7-178.60000109.2K31 K48 L58 D59K31-V46 WeakPolarHBondContact O-CA 3.49Å; V46-K48 HydrophobicContact CG1-CD 4.14Å; V46-K48 PolarHBondContact O-N 3.07Å; V46-L58 WeakPolarHBondContact O-CA 3.48Å; V46-D59 PolarHBondContact N-O 2.84Å; V46-D59 PolarHBondContact O-N 2.82Å
47L98.5Very high95.7Very high0 Ų050 Ų500%028%0.281CS..EExtended strand (participates in β ladder)trans-70.4112.7179.2-178.167.1000110.5L25 Y28 I29 D30 K31 I33 G49 F50 L56 L58L25-L47 HydrophobicContact CB-CD2 4.26Å; L25-L47 HydrophobicContact CD2-CD2 4.17Å; Y28-L47 WeakPolarHBondContact O-CB 3.24Å; I29-L47 HydrophobicContact CD1-CD2 4.29Å; I29-L47 HydrophobicContact CD1-CG 4.16Å; D30-L47 PolarHBondContact N-O 3Å; K31-L47 PolarHBondContact O-N 3.47Å; I33-L47 HydrophobicContact CD1-CB 4Å; I33-L47 HydrophobicContact CD1-CD1 4Å; I33-L47 HydrophobicContact CD1-CD2 4.31Å; I33-L47 HydrophobicContact CD1-CG 4.32Å; I33-L47 HydrophobicContact CG1-CB 4.23Å; L47-G49 WeakPolarHBondContact CD1-O 3.07Å; L47-F50 HydrophobicContact CD2-CD1 4.36Å; L47-L56 HydrophobicContact CD1-CB 4.17Å; L47-L56 HydrophobicContact CD1-CD2 4.22Å; L47-L58 HydrophobicContact CB-CD2 4.34Å; L47-L58 HydrophobicContact CD1-CD2 3.99Å
48K98.6Very high95.8Very high89 Ų8948.8 Ų48.839%0.38728%0.276SS..EExtended strand (participates in β ladder)trans-98.3-22177.9-63.6-50.4-166.7-174.80113.7D30 V46 V57 D59D30-K48 IonicContact OD1-NZ 2.72Å; D30-K48 PolarHBondContact OD1-NZ 3.37Å; V46-K48 HydrophobicContact CG1-CD 4.14Å; V46-K48 PolarHBondContact O-N 3.07Å; K48-V57 HydrophobicContact CB-CB 4.36Å; K48-V57 HydrophobicContact CB-CG1 4.1Å; K48-V57 PolarHBondContact N-O 3.42Å; K48-D59 HydrophobicContact CD-CB 4.24Å; K48-D59 HydrophobicContact CG-CB 3.6Å
49G97.9Very high96Very high18 Ų1845.1 Ų45.119%0.18626%0.261CS..EExtended strand (participates in β ladder)trans-176.5162.3-179.900000112L47 V57L47-G49 WeakPolarHBondContact CD1-O 3.07Å; G49-V57 PolarHBondContact O-N 2.96Å
50F97.6Very high96.4Very high78 Ų7844.7 Ų44.734%0.34226%0.256SS..EExtended strand (participates in β ladder)trans-152.8166.4175.665.4-82.7000110.5L25 I29 L47 N55 L56L25-F50 HydrophobicContact CB-CD1 3.53Å; L25-F50 HydrophobicContact CB-CD2 3.79Å; L25-F50 HydrophobicContact CB-CE1 3.5Å; L25-F50 HydrophobicContact CB-CE2 3.75Å; L25-F50 HydrophobicContact CB-CG 3.69Å; L25-F50 HydrophobicContact CB-CZ 3.62Å; L25-F50 HydrophobicContact CD1-CB 3.85Å; L25-F50 HydrophobicContact CD1-CD1 4.35Å; L25-F50 HydrophobicContact CD1-CD2 3.75Å; L25-F50 HydrophobicContact CD1-CE2 4.43Å; L25-F50 HydrophobicContact CD1-CG 3.71Å; L25-F50 HydrophobicContact CG-CD2 4.4Å; L25-F50 HydrophobicContact CG-CG 4.36Å; I29-F50 HydrophobicContact CD1-CD1 4.11Å; I29-F50 HydrophobicContact CD1-CE1 4.2Å; I29-F50 HydrophobicContact CG1-CE1 4.35Å; L47-F50 HydrophobicContact CD2-CD1 4.36Å; F50-N55 WeakPolarHBondContact CA-O 3.42Å; F50-L56 HydrophobicContact CB-CD2 3.85Å
51D94.5Very high96.7Very high52 Ų5243 Ų4328%0.27824%0.239SC..  trans-125.5173.717375.512.3000111.9L53 L54 N55D51-L53 PolarHBondContact O-N 2.88Å; D51-L53 VanDerWaalsContact O-N 3.14Å; D51-L53 WeakPolarHBondContact OD1-CA 3.35Å; D51-L53 WeakPolarHBondContact OD1-CB 3.42Å; D51-L53 PolarHBondContact OD1-N 3.37Å; D51-L54 PolarHBondContact O-N 3.26Å; D51-L54 PolarHBondContact OD1-N 3.15Å; D51-L54 VanDerWaalsContact OD1-N 3.15Å; D51-N55 PolarHBondContact N-O 2.77Å; D51-N55 PolarHBondContact OD1-N 3.1Å; D51-N55 PolarHBondContact OD1-ND2 2.98Å; D51-N55 WeakPolarHBondContact OD2-CB 3.45Å; D51-N55 PolarHBondContact OD2-ND2 3.14Å
52P90.6Very high96.9Very high121 Ų12140.2 Ų40.279%0.78623%0.231SC*.THydrogen-bonded Turntrans-63.5-14.5179-25.536.3000115.4L54P52-L54 VanDerWaalsContact C-N 3.27Å
53L91.3Very high97Very high129 Ų12940.9 Ų40.968%0.67523%0.234SC*.THydrogen-bonded Turntrans-90.45174.9-60-179000112D51 N55 G88D51-L53 PolarHBondContact O-N 2.88Å; D51-L53 VanDerWaalsContact O-N 3.14Å; D51-L53 WeakPolarHBondContact OD1-CA 3.35Å; D51-L53 WeakPolarHBondContact OD1-CB 3.42Å; D51-L53 PolarHBondContact OD1-N 3.37Å; L53-N55 PolarHBondContact O-N 2.82Å; L53-G88 WeakPolarHBondContact O-CA 3.49Å
54L94.8Very high96.9Very high54 Ų5442.8 Ų42.828%0.28324%0.241SC..  trans61.327.5-175.3-53.4176.1000112.9L25 D51 P52 L56 G88L25-L54 HydrophobicContact CD1-CD2 3.7Å; D51-L54 PolarHBondContact O-N 3.26Å; D51-L54 PolarHBondContact OD1-N 3.15Å; D51-L54 VanDerWaalsContact OD1-N 3.15Å; P52-L54 VanDerWaalsContact C-N 3.27Å; L54-L56 WeakPolarHBondContact O-CG 3.41Å; L54-L56 PolarHBondContact O-N 3.19Å; L54-G88 VanDerWaalsContact C-CA 3.45Å; L54-G88 WeakPolarHBondContact O-CA 3.49Å
55N96.6Very high96.7Very high42 Ų4246 Ų4623%0.22526%0.256CS..  trans-67.4132.4160.9-58.5-54.7000107.7F50 D51 L53 C86 G88F50-N55 WeakPolarHBondContact CA-O 3.42Å; D51-N55 PolarHBondContact N-O 2.77Å; D51-N55 PolarHBondContact OD1-N 3.1Å; D51-N55 PolarHBondContact OD1-ND2 2.98Å; D51-N55 WeakPolarHBondContact OD2-CB 3.45Å; D51-N55 PolarHBondContact OD2-ND2 3.14Å; L53-N55 PolarHBondContact O-N 2.82Å; N55-C86 CarbonylContact C-O 3.6Å; N55-C86 VanDerWaalsContact CA-O 3.24Å; N55-C86 WeakPolarHBondContact CA-O 3.34Å; N55-G88 PolarHBondContact OD1-N 3.04Å
56L98.1Very high96.4Very high0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-116.5143.8-174.7-46174.7000109.8L25 I33 V35 L47 F50 L54 L58 V85 C86 I94L25-L56 HydrophobicContact CD1-CD2 3.75Å; I33-L56 HydrophobicContact CD1-CD1 4.29Å; V35-L56 HydrophobicContact CG1-CD1 4.19Å; V35-L56 HydrophobicContact CG2-CD1 3.84Å; L47-L56 HydrophobicContact CD1-CB 4.17Å; L47-L56 HydrophobicContact CD1-CD2 4.22Å; F50-L56 HydrophobicContact CB-CD2 3.85Å; L54-L56 WeakPolarHBondContact O-CG 3.41Å; L54-L56 PolarHBondContact O-N 3.19Å; L56-L58 HydrophobicContact CB-CD2 4.36Å; L56-L58 HydrophobicContact CB-CG 4.45Å; L56-V85 CarbonylContact O-C 3.59Å; L56-V85 VanDerWaalsContact O-CA 3.31Å; L56-V85 WeakPolarHBondContact O-CA 3.27Å; L56-C86 HydrophobicContact CB-CB 4Å; L56-C86 HydrophobicContact CG-CB 4.43Å; L56-C86 PolarHBondContact N-O 3.42Å; L56-C86 PolarHBondContact O-N 3.13Å; L56-I94 HydrophobicContact CD1-CD1 3.94Å; L56-I94 HydrophobicContact CD1-CG1 4.33Å; L56-I94 HydrophobicContact CD2-CD1 4.26Å
57V98.6Very high95.9Very high48 Ų4849 Ų4929%0.29127%0.265SS..EExtended strand (participates in β ladder)trans-105.9116.3166.8-175.20000107.2K48 G49 L83 V84K48-V57 HydrophobicContact CB-CB 4.36Å; K48-V57 HydrophobicContact CB-CG1 4.1Å; K48-V57 PolarHBondContact N-O 3.42Å; G49-V57 PolarHBondContact O-N 2.96Å; V57-L83 HydrophobicContact CG1-CD1 3.79Å; V57-V84 WeakPolarHBondContact CA-O 2.99Å
58L98.7Very high95.2Very high0 Ų054.5 Ų54.50%030%0.3CS..EExtended strand (participates in β ladder)trans-115.4131.4179.4-58.6-175.1000110.1I33 V35 V46 L47 L56 T61 L83 V84I33-L58 HydrophobicContact CD1-CD2 3.89Å; I33-L58 HydrophobicContact CG1-CD2 3.94Å; V35-L58 HydrophobicContact CG2-CD1 4.23Å; V46-L58 WeakPolarHBondContact O-CA 3.48Å; L47-L58 HydrophobicContact CB-CD2 4.34Å; L47-L58 HydrophobicContact CD1-CD2 3.99Å; L56-L58 HydrophobicContact CB-CD2 4.36Å; L56-L58 HydrophobicContact CB-CG 4.45Å; L58-T61 WeakPolarHBondContact CB-OG1 3.26Å; L58-T61 HydrophobicContact CD1-CG2 4.43Å; L58-T61 PolarHBondContact O-OG1 2.78Å; L58-L83 CarbonylContact O-C 3.56Å; L58-L83 WeakPolarHBondContact O-CA 3.09Å; L58-V84 HydrophobicContact CB-CG2 4Å; L58-V84 PolarHBondContact N-O 2.95Å; L58-V84 PolarHBondContact O-N 3.37Å
59D98.6Very high94.7Very high68 Ų6857.9 Ų57.936%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-104.8150.6174.6-171.120.6000111V46 K48 T61 L83V46-D59 PolarHBondContact N-O 2.84Å; V46-D59 PolarHBondContact O-N 2.82Å; K48-D59 HydrophobicContact CD-CB 4.24Å; K48-D59 HydrophobicContact CG-CB 3.6Å; D59-T61 PolarHBondContact O-N 2.8Å; D59-L83 HydrophobicContact CB-CD1 4.09Å
60G98.1Very high94Very high42 Ų4260.5 Ų60.543%0.43333%0.333SS..EExtended strand (participates in β ladder)trans57.137.6-175.800000113.3G82G60-G82 PolarHBondContact N-O 3.33Å
61T98.5Very high93.1Very high1 Ų162.7 Ų62.71%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-72.1133.4-168.6-54.10000112.3A43 S44 L58 D59 L81 G82 V84A43-T61 HydrophobicContact CB-CG2 4.02Å; S44-T61 CarbonylContact O-C 3.47Å; S44-T61 VanDerWaalsContact O-CA 3.3Å; S44-T61 WeakPolarHBondContact O-CA 3.14Å; L58-T61 WeakPolarHBondContact CB-OG1 3.26Å; L58-T61 HydrophobicContact CD1-CG2 4.43Å; L58-T61 PolarHBondContact O-OG1 2.78Å; D59-T61 PolarHBondContact O-N 2.8Å; T61-L81 HydrophobicContact CG2-CD1 4.45Å; T61-L81 PolarHBondContact O-N 2.67Å; T61-G82 VanDerWaalsContact CB-O 3.27Å; T61-G82 WeakPolarHBondContact CB-O 3.34Å; T61-G82 PolarHBondContact N-O 2.85Å; T61-G82 PolarHBondContact O-N 3.36Å; T61-G82 PolarHBondContact OG1-O 2.91Å; T61-V84 HydrophobicContact CG2-CG2 3.86Å; T61-V84 WeakPolarHBondContact OG1-CG2 3.18Å
62I97.8Very high92.3Very high47 Ų4768.2 Ų68.224%0.24137%0.373CS..EExtended strand (participates in β ladder)trans-114.9122.1175-51.9-175.3000108.3A43 S44 T78 R79A43-I62 CarbonylContact C-O 3.54Å; A43-I62 WeakPolarHBondContact CA-O 3.46Å; A43-I62 WeakPolarHBondContact CB-O 3.41Å; S44-I62 PolarHBondContact N-O 3.5Å; S44-I62 PolarHBondContact O-N 2.94Å; I62-T78 HydrophobicContact CG2-CG2 3.95Å; I62-R79 WeakPolarHBondContact CA-O 3.15Å
63E97.4Very high91.9Very high18 Ų1868.1 Ų68.18%0.08436%0.36CS..EExtended strand (participates in β ladder)trans-88.4136.7167.2170.4175.7-149.800110.1R41 M65 T78 R79 L81R41-E63 IonicContact CZ-OE1 3.1Å; R41-E63 IonicContact NE-OE1 2.74Å; R41-E63 PolarHBondContact NE-OE1 2.82Å; R41-E63 IonicContact NH2-OE1 2.71Å; R41-E63 PolarHBondContact NH2-OE1 3.08Å; R41-E63 IonicContact NH2-OE2 2.94Å; R41-E63 PolarHBondContact NH2-OE2 3.18Å; E63-M65 HydrophobicContact CG-SD 4.28Å; E63-T78 CarbonylContact O-C 3.43Å; E63-T78 VanDerWaalsContact O-CA 3.24Å; E63-T78 WeakPolarHBondContact O-CA 3.42Å; E63-R79 HydrophobicContact CB-CB 4.37Å; E63-R79 PolarHBondContact N-O 3.29Å; E63-R79 PolarHBondContact O-N 3.1Å; E63-L81 HydrophobicContact CB-CD1 3.91Å; E63-L81 HydrophobicContact CB-CG 4.43Å
64Y95.2Very high91.5Very high48 Ų4864.9 Ų64.919%0.18834%0.343CS..EExtended strand (participates in β ladder)trans-92.9121.6171.1-59-89.5000109R34 E42 S44 T78R34-Y64 VanDerWaalsContact NE-CE2 3.33Å; R34-Y64 VanDerWaalsContact NH2-CD1 3.31Å; R34-Y64 VanDerWaalsContact NH2-CE2 3.3Å; R34-Y64 VanDerWaalsContact NH2-CG 3.26Å; E42-Y64 HydrophobicContact CB-CD2 4.29Å; E42-Y64 HydrophobicContact CG-CD2 3.95Å; E42-Y64 PolarHBondContact O-N 3.12Å; S44-Y64 PolarHBondContact OG-OH 2.92Å; Y64-T78 HydrophobicContact CD1-CG2 3.8Å; Y64-T78 HydrophobicContact CE1-CG2 4.09Å
65M93.6Very high91.1Very high70 Ų7064.1 Ų64.135%0.34534%0.341SS..EExtended strand (participates in β ladder)trans-73.9157.4-178.7-56.8-59-69.100110.3E63 L74 T75 D77 R79E63-M65 HydrophobicContact CG-SD 4.28Å; M65-L74 WeakPolarHBondContact O-CA 3.39Å; M65-T75 WeakPolarHBondContact CB-OG1 3.37Å; M65-T75 PolarHBondContact O-N 3.44Å; M65-T75 PolarHBondContact O-OG1 2.89Å; M65-D77 HydrophobicContact CB-CB 3.93Å; M65-D77 WeakPolarHBondContact CB-O 3.36Å; M65-D77 HydrophobicContact CG-CB 3.92Å; M65-D77 WeakPolarHBondContact CG-O 3.31Å; M65-D77 PolarHBondContact N-O 2.76Å; M65-R79 HydrophobicContact SD-CB 4.08Å
66R90.6Very high90.6Very high67 Ų6771.3 Ų71.325%0.25337%0.373SS..EExtended strand (participates in β ladder)trans-116.4152.2-178-67.5-173.7-69.5149.7-1.9110.4G39 G40 Q71 K73 L74G39-R66 PolarHBondContact O-NH1 3.04Å; G39-R66 PolarHBondContact O-NH2 2.88Å; G40-R66 WeakPolarHBondContact O-CD 3.15Å; R66-Q71 WeakPolarHBondContact CD-O 3.32Å; R66-Q71 PolarHBondContact NH1-O 3.28Å; R66-K73 WeakPolarHBondContact CA-O 3.24Å; R66-L74 HydrophobicContact CG-CD2 4.11Å
67D87.9Confident90.3Very high37 Ų3776.7 Ų76.720%0.19840%0.401CS..  trans-64.4127.9175.4-165-47000108.9D69 D70 K73 T75D67-D69 PolarHBondContact O-N 3.38Å; D67-D69 PolarHBondContact OD1-N 2.94Å; D67-D70 HydrophobicContact CB-CB 4.39Å; D67-D70 WeakPolarHBondContact CB-O 3.33Å; D67-D70 CarbonylContact O-C 3.33Å; D67-D70 PolarHBondContact O-N 2.85Å; D67-D70 PolarHBondContact OD1-N 2.94Å; D67-K73 HydrophobicContact CB-CB 4.2Å; D67-K73 PolarHBondContact N-O 3.4Å; D67-T75 HydrophobicContact CB-CG2 4.13Å
68P84.4Confident90.1Very high115 Ų11578 Ų7875%0.74741%0.41SS*.SBendtrans-59.7-31.6177-21.932.7000112.9
69D87.7Confident90Very high160 Ų16085 Ų8586%0.85644%0.436SS*.SBendtrans-91.7-26.1-175.5-61.2-41.2000111.8D67D67-D69 PolarHBondContact O-N 3.38Å; D67-D69 PolarHBondContact OD1-N 2.94Å
70D84.6Confident90Very high74 Ų7487.8 Ų87.840%0.39645%0.447SS..  trans-132.695.3174.5-173.3-5.1000112.5D67 L72 K73D67-D70 HydrophobicContact CB-CB 4.39Å; D67-D70 WeakPolarHBondContact CB-O 3.33Å; D67-D70 CarbonylContact O-C 3.33Å; D67-D70 PolarHBondContact O-N 2.85Å; D67-D70 PolarHBondContact OD1-N 2.94Å; D70-L72 PolarHBondContact O-N 2.71Å; D70-L72 WeakPolarHBondContact OD1-CB 3.35Å; D70-L72 PolarHBondContact OD1-N 2.74Å; D70-K73 HydrophobicContact CB-CB 4.15Å; D70-K73 PolarHBondContact O-N 3.03Å
71Q77.1Confident90Very high124 Ų12488.7 Ų88.758%0.57944%0.442SS*.THydrogen-bonded Turntrans-63.8-9.4-178.8-70.5-168.847.100115.3R66R66-Q71 WeakPolarHBondContact CD-O 3.32Å; R66-Q71 PolarHBondContact NH1-O 3.28Å
72L77.4Confident90Very high167 Ų16790 Ų9087%0.87446%0.456SS*.THydrogen-bonded Turntrans-90.1-13.2175.2-59.8177.8000112.4D70D70-L72 PolarHBondContact O-N 2.71Å; D70-L72 WeakPolarHBondContact OD1-CB 3.35Å; D70-L72 PolarHBondContact OD1-N 2.74Å
73K82.8Confident90Very high119 Ų11993.5 Ų93.552%0.51747%0.474SS..SBendtrans-99.9126.5-178.5-168.2-179.3174.4-1650110.7R66 D67 D70R66-K73 WeakPolarHBondContact CA-O 3.24Å; D67-K73 HydrophobicContact CB-CB 4.2Å; D67-K73 PolarHBondContact N-O 3.4Å; D70-K73 HydrophobicContact CB-CB 4.15Å; D70-K73 PolarHBondContact O-N 3.03Å
74L83.5Confident90Very high61 Ų6194.1 Ų94.132%0.31948%0.479SS..EExtended strand (participates in β ladder)trans-76.4141.7167.1-63.9175.5000109.4E42 M65 R66E42-L74 HydrophobicContact CB-CD2 4.27Å; E42-L74 WeakPolarHBondContact OE2-CD1 3.39Å; M65-L74 WeakPolarHBondContact O-CA 3.39Å; R66-L74 HydrophobicContact CG-CD2 4.11Å
75T86.3Confident90.2Very high39 Ų3997.1 Ų97.124%0.23950%0.502CS..EExtended strand (participates in β ladder)trans-88.9171.9165.263.80000109.8M65 D67 D77M65-T75 WeakPolarHBondContact CB-OG1 3.37Å; M65-T75 PolarHBondContact O-N 3.44Å; M65-T75 PolarHBondContact O-OG1 2.89Å; D67-T75 HydrophobicContact CB-CG2 4.13Å; T75-D77 PolarHBondContact O-N 2.83Å; T75-D77 PolarHBondContact OG1-N 3.1Å
76E86.4Confident90.4Very high193 Ų19394.2 Ų94.290%0.90249%0.489SS*.EExtended strand (participates in β ladder)trans-74.2-11.7171.2-61.6-171.2167.700112.2
77D90.8Very high90.7Very high112 Ų11299.2 Ų99.260%0.59951%0.508SS*.EExtended strand (participates in β ladder)trans-71.5135.2-179.2-64.4-36.7000111.1M65 T75M65-D77 HydrophobicContact CB-CB 3.93Å; M65-D77 WeakPolarHBondContact CB-O 3.36Å; M65-D77 HydrophobicContact CG-CB 3.92Å; M65-D77 WeakPolarHBondContact CG-O 3.31Å; M65-D77 PolarHBondContact N-O 2.76Å; T75-D77 PolarHBondContact O-N 2.83Å; T75-D77 PolarHBondContact OG1-N 3.1Å
78T95.6Very high91.1Very high77 Ų7797.9 Ų97.947%0.47250%0.503SS..EExtended strand (participates in β ladder)trans-128.4152.7176.759.90000111.1I62 E63 Y64I62-T78 HydrophobicContact CG2-CG2 3.95Å; E63-T78 CarbonylContact O-C 3.43Å; E63-T78 VanDerWaalsContact O-CA 3.24Å; E63-T78 WeakPolarHBondContact O-CA 3.42Å; Y64-T78 HydrophobicContact CD1-CG2 3.8Å; Y64-T78 HydrophobicContact CE1-CG2 4.09Å
79R96.8Very high91.7Very high146 Ų14697.1 Ų97.155%0.55150%0.496SS*.EExtended strand (participates in β ladder)trans-125.3125.6178.5-176.5-178.4-176.6-175.44.2110.7I62 E63 M65 L81I62-R79 WeakPolarHBondContact CA-O 3.15Å; E63-R79 HydrophobicContact CB-CB 4.37Å; E63-R79 PolarHBondContact N-O 3.29Å; E63-R79 PolarHBondContact O-N 3.1Å; M65-R79 HydrophobicContact SD-CB 4.08Å; R79-L81 HydrophobicContact CG-CD2 4.09Å
80Q97.8Very high92.1Very high127 Ų12791.5 Ų91.559%0.59347%0.469SS*.EExtended strand (participates in β ladder)trans-76.4129.5172.9-65.3-65.3-25.700110.6
81L97.9Very high92.7Very high61 Ų6189.2 Ų89.232%0.31946%0.458SS..EExtended strand (participates in β ladder)trans-118.7-17.9179.2-58.9178.7000113T61 E63 R79 V84T61-L81 HydrophobicContact CG2-CD1 4.45Å; T61-L81 PolarHBondContact O-N 2.67Å; E63-L81 HydrophobicContact CB-CD1 3.91Å; E63-L81 HydrophobicContact CB-CG 4.43Å; R79-L81 HydrophobicContact CG-CD2 4.09Å; L81-V84 HydrophobicContact CB-CG1 3.64Å; L81-V84 HydrophobicContact CD1-CG1 4.43Å
82G98.1Very high93.6Very high29 Ų2987.9 Ų87.930%0.29946%0.458SS..EExtended strand (participates in β ladder)trans72.3-131.8-178.500000112.3G60 T61G60-G82 PolarHBondContact N-O 3.33Å; T61-G82 VanDerWaalsContact CB-O 3.27Å; T61-G82 WeakPolarHBondContact CB-O 3.34Å; T61-G82 PolarHBondContact N-O 2.85Å; T61-G82 PolarHBondContact O-N 3.36Å; T61-G82 PolarHBondContact OG1-O 2.91Å
83L98.4Very high94.4Very high119 Ų11983.8 Ų83.862%0.62344%0.437SS*.EExtended strand (participates in β ladder)trans-82.5119.9178.8-177.366.8000110.7V57 L58 D59V57-L83 HydrophobicContact CG1-CD1 3.79Å; L58-L83 CarbonylContact O-C 3.56Å; L58-L83 WeakPolarHBondContact O-CA 3.09Å; D59-L83 HydrophobicContact CB-CD1 4.09Å
84V98.3Very high95Very high32 Ų3279.5 Ų79.519%0.19442%0.419CS..EExtended strand (participates in β ladder)trans-132157-178.2-51.50000112.3V57 L58 T61 L81V57-V84 WeakPolarHBondContact CA-O 2.99Å; L58-V84 HydrophobicContact CB-CG2 4Å; L58-V84 PolarHBondContact N-O 2.95Å; L58-V84 PolarHBondContact O-N 3.37Å; T61-V84 HydrophobicContact CG2-CG2 3.86Å; T61-V84 WeakPolarHBondContact OG1-CG2 3.18Å; L81-V84 HydrophobicContact CB-CG1 3.64Å; L81-V84 HydrophobicContact CD1-CG1 4.43Å
85V98.1Very high95.5Very high110 Ų11077.4 Ų77.467%0.66741%0.409SS*.EExtended strand (participates in β ladder)trans-108.5119.8166.5-177.80000109L56L56-V85 CarbonylContact O-C 3.59Å; L56-V85 VanDerWaalsContact O-CA 3.31Å; L56-V85 WeakPolarHBondContact O-CA 3.27Å
86C97.7Very high95.8Very high10 Ų1078 Ų787%0.06841%0.414CS..EExtended strand (participates in β ladder)trans-90.3132.3174.9-56.20000109.8F37 N55 L56 G88F37-C86 HydrophobicContact CE1-CB 3.84Å; F37-C86 HydrophobicContact CZ-CB 3.77Å; N55-C86 CarbonylContact C-O 3.6Å; N55-C86 VanDerWaalsContact CA-O 3.24Å; N55-C86 WeakPolarHBondContact CA-O 3.34Å; L56-C86 HydrophobicContact CB-CB 4Å; L56-C86 HydrophobicContact CG-CB 4.43Å; L56-C86 PolarHBondContact N-O 3.42Å; L56-C86 PolarHBondContact O-N 3.13Å; C86-G88 PolarHBondContact O-N 2.73Å
87R97.8Very high95.9Very high171 Ų17172.7 Ų72.765%0.64539%0.389SS*.  trans-83.1117.3179.3-166.7-174.8175.5108.5-0.9110.7T89 S90R87-T89 VanDerWaalsContact CD-OG1 3.31Å; R87-T89 WeakPolarHBondContact CD-OG1 3.44Å; R87-T89 WeakPolarHBondContact CG-OG1 3.47Å; R87-T89 PolarHBondContact NE-OG1 3.46Å; R87-T89 PolarHBondContact O-N 2.99Å; R87-S90 PolarHBondContact O-N 2.88Å; R87-S90 VanDerWaalsContact O-N 3.08Å
88G96.1Very high95.6Very high9 Ų974.6 Ų74.69%0.09340%0.399CS..G310 helixtrans-60.8-28.6-174.300000114.8L53 L54 N55 C86 S90 V91L53-G88 WeakPolarHBondContact O-CA 3.49Å; L54-G88 VanDerWaalsContact C-CA 3.45Å; L54-G88 WeakPolarHBondContact O-CA 3.49Å; N55-G88 PolarHBondContact OD1-N 3.04Å; C86-G88 PolarHBondContact O-N 2.73Å; G88-S90 PolarHBondContact O-N 3.42Å; G88-S90 VanDerWaalsContact O-N 3.1Å; G88-V91 PolarHBondContact O-N 3.32Å; G88-V91 VanDerWaalsContact O-N 3.1Å
89T96.6Very high95Very high99 Ų9974.8 Ų74.861%0.60742%0.416SS*.G310 helixtrans-61.1-22.4176.557.60000113.9R87R87-T89 VanDerWaalsContact CD-OG1 3.31Å; R87-T89 WeakPolarHBondContact CD-OG1 3.44Å; R87-T89 WeakPolarHBondContact CG-OG1 3.47Å; R87-T89 PolarHBondContact NE-OG1 3.46Å; R87-T89 PolarHBondContact O-N 2.99Å
90S96.5Very high94.4Very high42 Ų4272.4 Ų72.429%0.29441%0.413SS..G310 helixtrans-105.8-1.9-179.2-58.60000112.4F37 Q38 R87 G88F37-S90 CarbonylContact C-O 3.58Å; F37-S90 WeakPolarHBondContact CA-O 3.3Å; Q38-S90 PolarHBondContact N-O 3Å; R87-S90 PolarHBondContact O-N 2.88Å; R87-S90 VanDerWaalsContact O-N 3.08Å; G88-S90 PolarHBondContact O-N 3.42Å; G88-S90 VanDerWaalsContact O-N 3.1Å
91V96.3Very high93.8Very high27 Ų2774.1 Ų74.116%0.16442%0.421CS..EExtended strand (participates in β ladder)trans-74.9128178.3174.70000109.1V35 F37 G88 I94V35-V91 HydrophobicContact CG1-CG1 3.99Å; V35-V91 HydrophobicContact CG1-CG2 4.15Å; F37-V91 HydrophobicContact CD1-CG2 4.2Å; F37-V91 HydrophobicContact CE1-CG2 3.82Å; G88-V91 PolarHBondContact O-N 3.32Å; G88-V91 VanDerWaalsContact O-N 3.1Å; V91-I94 HydrophobicContact CG1-CD1 4.01Å; V91-I94 HydrophobicContact CG1-CG1 3.68Å
92V96Very high93.1Very high96 Ų9676 Ų7658%0.58245%0.445SS*.EExtended strand (participates in β ladder)trans-110.9-29.5176.4-66.80000112.7K36 Q38K36-V92 VanDerWaalsContact C-CG2 3.49Å; K36-V92 HydrophobicContact CB-CG2 3.76Å; K36-V92 WeakPolarHBondContact O-CG2 3.32Å; K36-V92 PolarHBondContact O-N 3.14Å; Q38-V92 HydrophobicContact CB-CG1 4.04Å
93L94.4Very high92.7Very high80 Ų8080.2 Ų80.242%0.41946%0.459SS..EExtended strand (participates in β ladder)trans-149.8140179.3-179.6133.1000110.4V35 K36 C95V35-L93 WeakPolarHBondContact CA-O 3.39Å; K36-L93 HydrophobicContact CB-CB 4.19Å; K36-L93 HydrophobicContact CD-CD2 4.41Å; K36-L93 HydrophobicContact CG-CD2 4.39Å; K36-L93 PolarHBondContact N-O 2.81Å; K36-L93 PolarHBondContact O-N 3.11Å; L93-C95 HydrophobicContact CD2-CB 4.09Å
94I95.2Very high92.1Very high30 Ų3080 Ų8015%0.15447%0.465CS..EExtended strand (participates in β ladder)trans-126.2129.8169.6-57.9172.2000106.8F23 L25 I33 V35 L56 V91F23-I94 HydrophobicContact CE1-CB 4.32Å; F23-I94 HydrophobicContact CE1-CG2 4.27Å; L25-I94 HydrophobicContact CD1-CD1 4.3Å; L25-I94 HydrophobicContact CD2-CD1 4.08Å; L25-I94 HydrophobicContact CD2-CG2 4.15Å; I33-I94 HydrophobicContact CB-CG2 4.42Å; I33-I94 HydrophobicContact CD1-CG2 3.85Å; V35-I94 HydrophobicContact CG1-CG1 4.37Å; V35-I94 HydrophobicContact CG2-CG1 4.48Å; L56-I94 HydrophobicContact CD1-CD1 3.94Å; L56-I94 HydrophobicContact CD1-CG1 4.33Å; L56-I94 HydrophobicContact CD2-CD1 4.26Å; V91-I94 HydrophobicContact CG1-CD1 4.01Å; V91-I94 HydrophobicContact CG1-CG1 3.68Å
95C93.7Very high91.6Very high17 Ų1782.7 Ų82.712%0.11548%0.478CS..EExtended strand (participates in β ladder)trans-136.6142.4175.852.80000110.7I33 R34 L93 M100I33-C95 CarbonylContact C-O 3.53Å; I33-C95 WeakPolarHBondContact CA-O 3.34Å; I33-C95 WeakPolarHBondContact CB-O 3.49Å; R34-C95 PolarHBondContact N-O 3.45Å; R34-C95 PolarHBondContact O-N 2.95Å; R34-C95 PolarHBondContact O-SG 3.08Å; L93-C95 HydrophobicContact CD2-CB 4.09Å; C95-M100 HydrophobicContact CB-CE 4.21Å; C95-M100 WeakPolarHBondContact SG-CE 3.47Å
96P93.9Very high91.1Very high50 Ų5081.8 Ų81.833%0.32548%0.475SS..EExtended strand (participates in β ladder)trans-60.9140.9166.526.9-31.6000109Y28 D98Y28-P96 HydrophobicContact CD1-CB 4.08Å; Y28-P96 HydrophobicContact CE1-CB 3.72Å; Y28-P96 HydrophobicContact CE1-CG 3.98Å; P96-D98 VanDerWaalsContact C-N 3.31Å
97Q87.1Confident90.6Very high82 Ų8289.8 Ų89.838%0.38351%0.509SS..SBendtrans-75.6-27.5174.1-170.8168.5-49.900111.5T32 S44 G99 M100T32-Q97 HydrophobicContact CG2-CB 4.22Å; T32-Q97 WeakPolarHBondContact O-CB 3.41Å; T32-Q97 PolarHBondContact O-N 3.42Å; T32-Q97 VanDerWaalsContact O-N 3.1Å; S44-Q97 PolarHBondContact OG-OE1 3.46Å; Q97-G99 PolarHBondContact O-N 3.43Å; Q97-M100 PolarHBondContact O-N 2.9Å
98D86.3Confident89.9Confident152 Ų15287.2 Ų87.281%0.81351%0.507SS*.THydrogen-bonded Turntrans-66.1126.8176-168.721.4000110.9P96 M100P96-D98 VanDerWaalsContact C-N 3.31Å; D98-M100 VanDerWaalsContact C-N 3.32Å
99G82Confident88.9Confident81 Ų8194.5 Ų94.584%0.83554%0.538SS*.THydrogen-bonded Turntrans78.54.6-174.400000115.8Q97Q97-G99 PolarHBondContact O-N 3.43Å
100M83.9Confident87.4Confident96 Ų9698 Ų9847%0.47355%0.548SS..  trans-88.3120.4171.3178.8179.1-96.200110.3C95 Q97 D98C95-M100 HydrophobicContact CB-CE 4.21Å; C95-M100 WeakPolarHBondContact SG-CE 3.47Å; Q97-M100 PolarHBondContact O-N 2.9Å; D98-M100 VanDerWaalsContact C-N 3.32Å
101E86.1Confident85.5Confident163 Ų163104.2 Ų104.276%0.76257%0.572SS**  trans-131.6139.5174.1-174.3174.4-17300110.3I103E101-I103 PolarHBondContact O-N 3.33Å
102A83.2Confident83.5Confident100 Ų100109.8 Ų109.883%0.82660%0.601SS**PPolyproline II helixtrans-75.5116.4170.900000108.9
103I88.2Confident81.2Confident118 Ų118112.4 Ų112.461%0.60565%0.647SS**PPolyproline II helixtrans-103.5151.317861.9170000110.8E101E101-I103 PolarHBondContact O-N 3.33Å
104P87.4Confident80.5Confident114 Ų114114.1 Ų114.174%0.7466%0.659SS**PPolyproline II helixtrans-60.2157.5166.528-34.9000110.1P106P104-P106 VanDerWaalsContact O-CD 3.27Å; P104-P106 WeakPolarHBondContact O-CD 3.39Å
105N87.3Confident79.7Confident89 Ų89118.5 Ų118.548%0.47669%0.685SS.*  trans-56.5114.8178177.2-8.5000110.1F107 I108N105-F107 PolarHBondContact O-N 3.27Å; N105-F107 VanDerWaalsContact O-N 3.14Å; N105-F107 WeakPolarHBondContact OD1-CB 3.42Å; N105-F107 WeakPolarHBondContact OD1-CD2 3.4Å; N105-F107 PolarHBondContact OD1-N 2.99Å; N105-I108 HydrophobicContact CB-CD1 3.74Å; N105-I108 HydrophobicContact CB-CG1 3.87Å; N105-I108 PolarHBondContact O-N 2.94Å
106P88.5Confident78.9Confident92 Ų92124.1 Ų124.160%0.59772%0.717SS**THydrogen-bonded Turntrans-73.5-6-172.531-36.4000113.4P104P104-P106 VanDerWaalsContact O-CD 3.27Å; P104-P106 WeakPolarHBondContact O-CD 3.39Å
107F85.5Confident78.1Confident177 Ų177128.5 Ų128.578%0.77674%0.74SS**THydrogen-bonded Turntrans-98.3-2.7-179.8-55.3-72.2000113.5N105 Q109N105-F107 PolarHBondContact O-N 3.27Å; N105-F107 VanDerWaalsContact O-N 3.14Å; N105-F107 WeakPolarHBondContact OD1-CB 3.42Å; N105-F107 WeakPolarHBondContact OD1-CD2 3.4Å; N105-F107 PolarHBondContact OD1-N 2.99Å; F107-Q109 PolarHBondContact O-N 2.98Å; F107-Q109 VanDerWaalsContact O-N 3.14Å
108I84.3Confident77.5Confident117 Ų117131.4 Ų131.460%0.676%0.762SS**SBendtrans-75.9103.6170.5-56.3176000106.5N105 Q110N105-I108 HydrophobicContact CB-CD1 3.74Å; N105-I108 HydrophobicContact CB-CG1 3.87Å; N105-I108 PolarHBondContact O-N 2.94Å; I108-Q110 PolarHBondContact O-N 3.33Å; I108-Q110 VanDerWaalsContact O-N 3.11Å
109Q73.6Confident76.9Confident163 Ų163130 Ų13076%0.76276%0.759SS**  trans-58117.5170-73.2176.5-5.300107.7F107 H111F107-Q109 PolarHBondContact O-N 2.98Å; F107-Q109 VanDerWaalsContact O-N 3.14Å; Q109-H111 VanDerWaalsContact C-N 3.32Å; Q109-H111 PolarHBondContact O-N 2.89Å
110Q65.6Low76.6Confident173 Ų173133.5 Ų133.581%0.80875%0.754SS**  trans-61.6100167.2-69.2178.2-300106.1I108 D112I108-Q110 PolarHBondContact O-N 3.33Å; I108-Q110 VanDerWaalsContact O-N 3.11Å; Q110-D112 PolarHBondContact O-N 2.97Å
111H57.4Low76Confident171 Ų171136.4 Ų136.479%0.79278%0.775SS**  trans-67.796.2164-94.484.1000105.6Q109 G113Q109-H111 VanDerWaalsContact C-N 3.32Å; Q109-H111 PolarHBondContact O-N 2.89Å; H111-G113 PolarHBondContact O-N 3.14Å
112D54.3Low75.2Confident145 Ų145134.2 Ų134.278%0.77578%0.776SS**  trans-56.5124.6161.8-72.6-36000107.4Q110Q110-D112 PolarHBondContact O-N 2.97Å
113G46.6Very low74.4Confident151 Ų151137.3 Ų137.3100%1.55777%0.772SS**  trans-700179.200000113.7H111H111-G113 PolarHBondContact O-N 3.14Å

Retrieved 113 of 113 residues in 18.8 ms (Link to these results)