A0A3Q3DZT1_HIPCM Loading...

U6 snRNA-associated Sm-like protein LSm2

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 A0A3Q3DZT1, Species HIPCM (Hippocampus comes, Tiger tail seahorse), Gene n/a, Length 95 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
1M88.8Confident96.6Very high150 Ų15067.1 Ų67.174%0.73935%0.346SS*.  0-16.90-78.8-66.1-128.300113.6F3 Y4 S5 E89M1-F3 PolarHBondContact O-N 2.75Å; M1-Y4 PolarHBondContact O-N 3.29Å; M1-Y4 HydrophobicContact SD-CD1 4.23Å; M1-S5 PolarHBondContact O-N 3.41Å; M1-S5 PolarHBondContact O-OG 2.88Å; M1-E89 PolarHBondContact N-OE1 3.28Å; M1-E89 PolarHBondContact N-OE2 3.05Å
2L96.1Very high96.6Very high28 Ų2865.8 Ų65.815%0.14736%0.362CS..Hα-helixtrans-40.6-63.2-179.2-175.866.1000114.9Y4 S5 F6 A85 A86 E89L2-Y4 PolarHBondContact O-N 3.42Å; L2-S5 PolarHBondContact O-N 3.03Å; L2-F6 WeakPolarHBondContact O-CB 3.49Å; L2-F6 PolarHBondContact O-N 3.16Å; L2-A85 HydrophobicContact CD1-CB 3.37Å; L2-A86 HydrophobicContact CD2-CB 4.09Å; L2-E89 HydrophobicContact CB-CB 4.29Å; L2-E89 HydrophobicContact CB-CG 3.96Å; L2-E89 PolarHBondContact N-OE2 3.28Å
3F97.3Very high96.7Very high119 Ų11966.2 Ų66.252%0.52236%0.358SS..Hα-helixtrans-69.3-31.2-172-68.3-65.1000114.2M1 F6 F7 L36M1-F3 PolarHBondContact O-N 2.75Å; F3-F6 PolarHBondContact O-N 3.28Å; F3-F7 WeakPolarHBondContact O-CD2 2.98Å; F3-F7 PolarHBondContact O-N 3.02Å; F3-L36 HydrophobicContact CB-CD1 4.1Å; F3-L36 HydrophobicContact CB-CD2 4.24Å
4Y97.4Very high96.8Very high57 Ų5768.6 Ų68.622%0.22437%0.37CS..Hα-helixtrans-62-46.3172.5170.5-118.2000111.2M1 L2 K8 V32 D33M1-Y4 PolarHBondContact O-N 3.29Å; M1-Y4 HydrophobicContact SD-CD1 4.23Å; L2-Y4 PolarHBondContact O-N 3.42Å; Y4-K8 HydrophobicContact CE2-CG 4.29Å; Y4-K8 PolarHBondContact O-N 3.05Å; Y4-K8 WeakPolarHBondContact OH-CE 3.44Å; Y4-K8 PolarHBondContact OH-NZ 3.44Å; Y4-V32 HydrophobicContact CD2-CG1 4.17Å; Y4-V32 HydrophobicContact CE2-CG1 4.28Å; Y4-D33 VanDerWaalsContact CD2-O 3.27Å; Y4-D33 WeakPolarHBondContact CD2-O 3.42Å
5S97.1Very high96.8Very high68 Ų6864.3 Ų64.348%0.47635%0.348SS..Hα-helixtrans-66.9-39.3178.7-51.90000111.4M1 L2 K8 S9M1-S5 PolarHBondContact O-N 3.41Å; M1-S5 PolarHBondContact O-OG 2.88Å; L2-S5 PolarHBondContact O-N 3.03Å; S5-K8 WeakPolarHBondContact O-CB 3.45Å; S5-K8 PolarHBondContact O-N 3.48Å; S5-S9 PolarHBondContact O-N 3.48Å
6F97.9Very high96.9Very high34 Ų3462.3 Ų62.315%0.14934%0.338CS..Hα-helixtrans-59.8-53.9175176.6-108.1000111.9L2 F3 K8 S9 L10 L72 V77 L82L2-F6 WeakPolarHBondContact O-CB 3.49Å; L2-F6 PolarHBondContact O-N 3.16Å; F3-F6 PolarHBondContact O-N 3.28Å; F6-K8 VanDerWaalsContact C-N 3.26Å; F6-K8 PolarHBondContact O-N 3.03Å; F6-S9 WeakPolarHBondContact O-CB 3.24Å; F6-S9 PolarHBondContact O-N 2.92Å; F6-S9 PolarHBondContact O-OG 3.5Å; F6-L10 HydrophobicContact CD1-CD1 4.25Å; F6-L10 HydrophobicContact CE1-CD1 3.73Å; F6-L10 HydrophobicContact CE2-CD1 4.41Å; F6-L10 HydrophobicContact CZ-CD1 3.82Å; F6-L72 HydrophobicContact CE1-CD1 3.63Å; F6-L72 HydrophobicContact CZ-CD1 3.65Å; F6-V77 HydrophobicContact CE2-CG1 4.07Å; F6-V77 HydrophobicContact CE2-CG2 4.21Å; F6-V77 HydrophobicContact CZ-CG1 4.31Å; F6-V77 HydrophobicContact CZ-CG2 3.96Å; F6-L82 HydrophobicContact CD2-CD1 4.09Å; F6-L82 HydrophobicContact CE2-CD1 4.43Å
7F97.9Very high96.9Very high24 Ų2458.6 Ų58.611%0.10532%0.318CS..Hα-helixtrans-65.8-28.2178.4-76.8-61000113.2F3 S9 L10 L29 V32 L36 V70F3-F7 WeakPolarHBondContact O-CD2 2.98Å; F3-F7 PolarHBondContact O-N 3.02Å; F7-S9 VanDerWaalsContact C-N 3.28Å; F7-S9 PolarHBondContact O-N 3.39Å; F7-L10 HydrophobicContact CD1-CD1 4.09Å; F7-L10 PolarHBondContact O-N 3.41Å; F7-L29 HydrophobicContact CD1-CD2 4.48Å; F7-L29 WeakPolarHBondContact O-CD2 3.18Å; F7-V32 HydrophobicContact CB-CB 4.06Å; F7-V32 HydrophobicContact CB-CG1 3.78Å; F7-V32 HydrophobicContact CB-CG2 3.88Å; F7-V32 HydrophobicContact CG-CG2 4.5Å; F7-L36 HydrophobicContact CD2-CD2 4.28Å; F7-V70 HydrophobicContact CE1-CB 4.2Å; F7-V70 HydrophobicContact CE1-CG1 4.08Å; F7-V70 HydrophobicContact CE1-CG2 4.22Å; F7-V70 HydrophobicContact CZ-CB 4.33Å; F7-V70 HydrophobicContact CZ-CG2 4.08Å
8K97.3Very high97Very high111 Ų11157.4 Ų57.448%0.48331%0.31SS..Hα-helixtrans-61.1-36.5170.1-89.1-150.7-176.6173.40113Y4 S5 F6 L10 V11 V32Y4-K8 HydrophobicContact CE2-CG 4.29Å; Y4-K8 PolarHBondContact O-N 3.05Å; Y4-K8 WeakPolarHBondContact OH-CE 3.44Å; Y4-K8 PolarHBondContact OH-NZ 3.44Å; S5-K8 WeakPolarHBondContact O-CB 3.45Å; S5-K8 PolarHBondContact O-N 3.48Å; F6-K8 VanDerWaalsContact C-N 3.26Å; F6-K8 PolarHBondContact O-N 3.03Å; K8-L10 PolarHBondContact O-N 3.17Å; K8-V11 WeakPolarHBondContact O-CG2 3.47Å; K8-V11 PolarHBondContact O-N 3.42Å; K8-V32 HydrophobicContact CG-CG1 3.83Å
9S97.1Very high97Very high79 Ų7955.3 Ų55.355%0.55230%0.298SS*.Hα-helixtrans-67.2-20.5177.973.50000113.2S5 F6 F7S5-S9 PolarHBondContact O-N 3.48Å; F6-S9 WeakPolarHBondContact O-CB 3.24Å; F6-S9 PolarHBondContact O-N 2.92Å; F6-S9 PolarHBondContact O-OG 3.5Å; F7-S9 VanDerWaalsContact C-N 3.28Å; F7-S9 PolarHBondContact O-N 3.39Å
10L97.6Very high97Very high1 Ų158.9 Ų58.91%0.00531%0.311CS..THydrogen-bonded Turntrans-94.54.2-179.2-61170.3000113.2F6 F7 K8 G12 K13 L29 L72 E76F6-L10 HydrophobicContact CD1-CD1 4.25Å; F6-L10 HydrophobicContact CE1-CD1 3.73Å; F6-L10 HydrophobicContact CE2-CD1 4.41Å; F6-L10 HydrophobicContact CZ-CD1 3.82Å; F7-L10 HydrophobicContact CD1-CD1 4.09Å; F7-L10 PolarHBondContact O-N 3.41Å; K8-L10 PolarHBondContact O-N 3.17Å; L10-G12 PolarHBondContact O-N 3.09Å; L10-K13 VanDerWaalsContact O-CB 3.28Å; L10-K13 WeakPolarHBondContact O-CB 2.94Å; L10-K13 WeakPolarHBondContact O-CG 3.5Å; L10-K13 PolarHBondContact O-N 2.69Å; L10-L29 HydrophobicContact CB-CD2 3.86Å; L10-L72 HydrophobicContact CD1-CD1 3.75Å; L10-L72 HydrophobicContact CD1-CD2 3.78Å; L10-L72 HydrophobicContact CD1-CG 4.38Å; L10-E76 HydrophobicContact CD2-CB 3.79Å
11V97.9Very high96.9Very high67 Ų6760.4 Ų60.441%0.40632%0.319SS..THydrogen-bonded Turntrans-62.2130.4176.41710000109.7K8 L29 H30K8-V11 WeakPolarHBondContact O-CG2 3.47Å; K8-V11 PolarHBondContact O-N 3.42Å; V11-L29 CarbonylContact C-O 3.49Å; V11-L29 WeakPolarHBondContact CA-O 3.46Å; V11-L29 HydrophobicContact CG2-CG 4.47Å; V11-H30 WeakPolarHBondContact CG1-O 3.28Å
12G97.5Very high97.1Very high52 Ų5257.4 Ų57.454%0.53631%0.306SS..THydrogen-bonded Turntrans89.31-174.100000114.4L10 L29L10-G12 PolarHBondContact O-N 3.09Å; G12-L29 PolarHBondContact N-O 2.87Å
13K97.7Very high97Very high70 Ų7056.5 Ų56.530%0.30430%0.302SS..SBendtrans-99.6150.7177.3-52.2-58.7-179.2153.70111.6L10 L29 E76L10-K13 VanDerWaalsContact O-CB 3.28Å; L10-K13 WeakPolarHBondContact O-CB 2.94Å; L10-K13 WeakPolarHBondContact O-CG 3.5Å; L10-K13 PolarHBondContact O-N 2.69Å; K13-L29 PolarHBondContact O-N 2.62Å; K13-E76 VanDerWaalsContact CD-CD 3.5Å; K13-E76 HydrophobicContact CD-CG 4.21Å; K13-E76 WeakPolarHBondContact CD-OE1 3.25Å; K13-E76 WeakPolarHBondContact CD-OE2 3.46Å; K13-E76 WeakPolarHBondContact CE-OE1 3.5Å; K13-E76 WeakPolarHBondContact CE-OE2 3.39Å; K13-E76 HydrophobicContact CG-CG 4.28Å; K13-E76 IonicContact NZ-OE1 3.18Å; K13-E76 PolarHBondContact NZ-OE1 3.29Å; K13-E76 IonicContact NZ-OE2 2.81Å; K13-E76 PolarHBondContact NZ-OE2 3.2Å
14D97.3Very high96.9Very high100 Ų10052.1 Ų52.154%0.53529%0.286SS..EExtended strand (participates in β ladder)trans-80.3130.7175.5-68.5-24.5000110.5T28D14-T28 PolarHBondContact OD1-OG1 2.95Å
15V97.6Very high96.9Very high5 Ų549.5 Ų49.53%0.0328%0.276CS..EExtended strand (participates in β ladder)trans-137.3158.9-177-59.60000110.1V17 C26 G27 L29 L40 V70 L72V15-V17 HydrophobicContact CG2-CG2 4.28Å; V15-C26 WeakPolarHBondContact O-CA 3.35Å; V15-G27 PolarHBondContact N-O 3.17Å; V15-G27 PolarHBondContact O-N 3.1Å; V15-G27 VanDerWaalsContact O-N 3.1Å; V15-L29 HydrophobicContact CG2-CB 4.27Å; V15-L40 HydrophobicContact CG2-CD2 3.76Å; V15-V70 HydrophobicContact CB-CG1 4.16Å; V15-V70 HydrophobicContact CG2-CG1 4.5Å; V15-L72 HydrophobicContact CB-CD2 4.2Å; V15-L72 HydrophobicContact CG1-CD2 3.49Å; V15-L72 VanDerWaalsContact CG1-CD2 3.49Å
16V97.9Very high96.9Very high32 Ų3248.2 Ų48.219%0.19427%0.266CS..EExtended strand (participates in β ladder)trans-114.5120.9169.8-174.70000108.9I25 C26 V70 Q71V16-I25 WeakPolarHBondContact CA-O 3.39Å; V16-C26 HydrophobicContact CG2-CB 4.22Å; V16-V70 CarbonylContact O-C 3.58Å; V16-V70 WeakPolarHBondContact O-CA 3.36Å; V16-Q71 HydrophobicContact CB-CB 4.05Å; V16-Q71 HydrophobicContact CB-CG 4.27Å; V16-Q71 PolarHBondContact N-O 3.35Å; V16-Q71 VanDerWaalsContact N-O 3.15Å; V16-Q71 PolarHBondContact O-N 2.78Å
17V98Very high96.9Very high0 Ų046.8 Ų46.80%026%0.261CS..EExtended strand (participates in β ladder)trans-102.6115.3177.6-176.90000108.9V15 L19 S24 I25 I38 L40 I62 V67 V70V15-V17 HydrophobicContact CG2-CG2 4.28Å; V17-L19 HydrophobicContact CG1-CD2 3.87Å; V17-S24 WeakPolarHBondContact O-CA 3.37Å; V17-I25 PolarHBondContact N-O 3.44Å; V17-I25 PolarHBondContact O-N 3.37Å; V17-I38 HydrophobicContact CG2-CD1 4.34Å; V17-L40 HydrophobicContact CB-CD1 4.45Å; V17-L40 HydrophobicContact CG2-CD1 3.94Å; V17-I62 HydrophobicContact CB-CD1 4.17Å; V17-I62 HydrophobicContact CG1-CD1 3.99Å; V17-I62 HydrophobicContact CG2-CD1 4.46Å; V17-V67 HydrophobicContact CG1-CG1 3.97Å; V17-V67 HydrophobicContact CG1-CG2 3.96Å; V17-V70 HydrophobicContact CG2-CG1 4.32Å; V17-V70 HydrophobicContact CG2-CG2 4.41Å
18E97.9Very high96.9Very high36 Ų3647.2 Ų47.217%0.16827%0.265CS..EExtended strand (participates in β ladder)trans-95.1124.6172.2-170.1-171.8131.200109.5R68 Y69E18-R68 WeakPolarHBondContact O-CA 3.24Å; E18-R68 PolarHBondContact O-N 2.98Å; E18-R68 IonicContact OE1-CZ 2.75Å; E18-R68 IonicContact OE1-NH1 2.68Å; E18-R68 PolarHBondContact OE1-NH1 3.39Å; E18-Y69 PolarHBondContact N-O 2.83Å; E18-Y69 PolarHBondContact O-N 2.85Å
19L97.2Very high96.9Very high18 Ų1842 Ų429%0.09424%0.243CC..EExtended strand (participates in β ladder)trans-90.9160.5179.8-56.2-172.1000111.5V17 N21 D22 L23 I25 I62 V66 V67V17-L19 HydrophobicContact CG1-CD2 3.87Å; L19-N21 WeakPolarHBondContact CB-OD1 3.44Å; L19-N21 PolarHBondContact O-N 2.91Å; L19-D22 PolarHBondContact O-N 3.48Å; L19-L23 HydrophobicContact CB-CB 4.44Å; L19-L23 HydrophobicContact CD1-CB 4.29Å; L19-L23 HydrophobicContact CD1-CD2 4.09Å; L19-L23 HydrophobicContact CD1-CG 4.35Å; L19-L23 PolarHBondContact N-O 3.25Å; L19-I25 HydrophobicContact CD1-CD1 4.22Å; L19-I62 HydrophobicContact CD2-CG2 3.58Å; L19-V66 WeakPolarHBondContact CA-O 3.39Å; L19-V66 HydrophobicContact CD2-CG2 4.26Å; L19-V67 HydrophobicContact CD2-CG2 4.33Å
20K97.4Very high97Very high127 Ų12742.9 Ų42.955%0.55224%0.238SC*.THydrogen-bonded Turntrans-61.7-14178.5-73.2176.8-179.71740114.8S65 V66 R68K20-S65 WeakPolarHBondContact CE-O 3.49Å; K20-S65 PolarHBondContact NZ-O 2.91Å; K20-V66 WeakPolarHBondContact CG-O 3.42Å; K20-V66 PolarHBondContact N-O 3.31Å; K20-R68 HydrophobicContact CG-CB 4.13Å; K20-R68 PolarHBondContact O-NH2 2.92Å
21N93.8Very high97Very high91 Ų9145.2 Ų45.249%0.48725%0.254SS..THydrogen-bonded Turntrans-99.418.1174.669.3-17.1000112.7L19 L23 Y51L19-N21 WeakPolarHBondContact CB-OD1 3.44Å; L19-N21 PolarHBondContact O-N 2.91Å; N21-L23 PolarHBondContact O-N 2.99Å; N21-L23 WeakPolarHBondContact OD1-CB 3.28Å; N21-L23 PolarHBondContact OD1-N 3.48Å; N21-Y51 PolarHBondContact O-OH 3.15Å
22D93.2Very high97.1Very high87 Ų8742.8 Ų42.847%0.46524%0.239SC..SBendtrans67.68178-44.7-40.1000115L19 S24 R68L19-D22 PolarHBondContact O-N 3.48Å; D22-S24 PolarHBondContact O-N 3.27Å; D22-R68 IonicContact OD1-CZ 3.83Å; D22-R68 IonicContact OD1-NH1 2.87Å; D22-R68 PolarHBondContact OD1-NH1 2.91Å; D22-R68 IonicContact OD1-NH2 2.75Å; D22-R68 PolarHBondContact OD1-NH2 3.44Å
23L94.2Very high97.1Very high9 Ų942.7 Ų42.75%0.04723%0.227CC..  trans-72.5125.2170.1173.759.6000109.6L19 N21 I25 V45 Y51L19-L23 HydrophobicContact CB-CB 4.44Å; L19-L23 HydrophobicContact CD1-CB 4.29Å; L19-L23 HydrophobicContact CD1-CD2 4.09Å; L19-L23 HydrophobicContact CD1-CG 4.35Å; L19-L23 PolarHBondContact N-O 3.25Å; N21-L23 PolarHBondContact O-N 2.99Å; N21-L23 WeakPolarHBondContact OD1-CB 3.28Å; N21-L23 PolarHBondContact OD1-N 3.48Å; L23-I25 HydrophobicContact CD1-CG1 4.36Å; L23-I25 HydrophobicContact CD2-CD1 4.04Å; L23-I25 HydrophobicContact CD2-CG1 4.23Å; L23-I25 HydrophobicContact CG-CD1 4.26Å; L23-I25 HydrophobicContact CG-CG1 3.95Å; L23-V45 HydrophobicContact CD1-CG1 3.59Å; L23-V45 HydrophobicContact CD1-CG2 4.37Å; L23-Y51 HydrophobicContact CB-CE1 4.16Å; L23-Y51 HydrophobicContact CB-CE2 4.47Å; L23-Y51 HydrophobicContact CD1-CD1 3.98Å; L23-Y51 HydrophobicContact CD1-CD2 3.61Å; L23-Y51 HydrophobicContact CD1-CE1 4.26Å; L23-Y51 HydrophobicContact CD1-CE2 3.89Å; L23-Y51 HydrophobicContact CD1-CG 3.67Å
24S96.1Very high97Very high27 Ų2746 Ų4619%0.18924%0.243CC..EExtended strand (participates in β ladder)trans-107.6127.7174-66.30000110.9V17 D22 T46V17-S24 WeakPolarHBondContact O-CA 3.37Å; D22-S24 PolarHBondContact O-N 3.27Å; S24-T46 PolarHBondContact O-N 2.89Å
25I96.6Very high97Very high2 Ų248.9 Ų48.91%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-123.2118.6-178.2-52.8172.3000108.1V16 V17 L19 L23 L40 I43 M54 I62V16-I25 WeakPolarHBondContact CA-O 3.39Å; V17-I25 PolarHBondContact N-O 3.44Å; V17-I25 PolarHBondContact O-N 3.37Å; L19-I25 HydrophobicContact CD1-CD1 4.22Å; L23-I25 HydrophobicContact CD1-CG1 4.36Å; L23-I25 HydrophobicContact CD2-CD1 4.04Å; L23-I25 HydrophobicContact CD2-CG1 4.23Å; L23-I25 HydrophobicContact CG-CD1 4.26Å; L23-I25 HydrophobicContact CG-CG1 3.95Å; I25-L40 HydrophobicContact CB-CD1 4.46Å; I25-L40 HydrophobicContact CG2-CD1 3.97Å; I25-I43 HydrophobicContact CG2-CB 3.88Å; I25-I43 HydrophobicContact CG2-CD1 4.18Å; I25-I43 HydrophobicContact CG2-CG2 4.14Å; I25-M54 HydrophobicContact CD1-CE 3.94Å; I25-M54 HydrophobicContact CG1-CE 4.44Å; I25-I62 HydrophobicContact CD1-CD1 4.11Å
26C97Very high97Very high41 Ų4151.3 Ų51.328%0.27726%0.26SS..EExtended strand (participates in β ladder)trans-90.5142.8169.3-178.70000109.2V15 V16 I43 S44V15-C26 WeakPolarHBondContact O-CA 3.35Å; V16-C26 HydrophobicContact CG2-CB 4.22Å; C26-I43 CarbonylContact O-C 3.59Å; C26-I43 WeakPolarHBondContact O-CA 3.45Å; C26-I43 WeakPolarHBondContact O-CB 3.27Å; C26-S44 PolarHBondContact N-O 2.78Å; C26-S44 PolarHBondContact O-N 3.33Å
27G97.2Very high97Very high3 Ų350.8 Ų50.83%0.03126%0.257CS..EExtended strand (participates in β ladder)trans174.6176.7171.900000112.2V15V15-G27 PolarHBondContact N-O 3.17Å; V15-G27 PolarHBondContact O-N 3.1Å; V15-G27 VanDerWaalsContact O-N 3.1Å
28T98.1Very high97.1Very high33 Ų3351 Ų5120%0.20226%0.258CS..EExtended strand (participates in β ladder)trans-84.9129.2179.9-48.90000110.3D14 H30 L40 T41D14-T28 PolarHBondContact OD1-OG1 2.95Å; T28-H30 PolarHBondContact O-N 3.35Å; T28-H30 VanDerWaalsContact O-N 3.15Å; T28-L40 WeakPolarHBondContact O-CA 3.43Å; T28-T41 PolarHBondContact N-O 3.46Å; T28-T41 PolarHBondContact O-N 2.77Å
29L98.4Very high97.1Very high2 Ų253.2 Ų53.21%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-68.8109.8178.4-178.259.7000110.7F7 L10 V11 G12 K13 V15 I38 L40F7-L29 HydrophobicContact CD1-CD2 4.48Å; F7-L29 WeakPolarHBondContact O-CD2 3.18Å; L10-L29 HydrophobicContact CB-CD2 3.86Å; V11-L29 CarbonylContact C-O 3.49Å; V11-L29 WeakPolarHBondContact CA-O 3.46Å; V11-L29 HydrophobicContact CG2-CG 4.47Å; G12-L29 PolarHBondContact N-O 2.87Å; K13-L29 PolarHBondContact O-N 2.62Å; V15-L29 HydrophobicContact CG2-CB 4.27Å; L29-I38 HydrophobicContact CD1-CB 4.49Å; L29-I38 HydrophobicContact CD1-CG1 4.43Å; L29-I38 HydrophobicContact CD1-CG2 3.61Å; L29-L40 HydrophobicContact CB-CD2 4.44Å; L29-L40 HydrophobicContact CD1-CD2 4.23Å
30H98.4Very high97.2Very high98 Ų9852.4 Ų52.445%0.45426%0.262SS..EExtended strand (participates in β ladder)trans-92.6-40.3-177.5-177.282.3000112.9V11 T28 K39 T41V11-H30 WeakPolarHBondContact CG1-O 3.28Å; T28-H30 PolarHBondContact O-N 3.35Å; T28-H30 VanDerWaalsContact O-N 3.15Å; H30-K39 HydrophobicContact CB-CB 4.47Å; H30-K39 HydrophobicContact CB-CG 4.49Å; H30-K39 WeakPolarHBondContact CB-O 3.38Å; H30-K39 PolarHBondContact N-O 2.72Å; H30-T41 HydrophobicContact CB-CG2 3.79Å
31S98.3Very high97.2Very high50 Ų5047.5 Ų47.535%0.3524%0.243SC..EExtended strand (participates in β ladder)trans-159.9153.9178.264.50000112.5K39S31-K39 PolarHBondContact N-O 2.88Å; S31-K39 PolarHBondContact O-N 2.91Å; S31-K39 VanDerWaalsContact OG-CB 3.23Å; S31-K39 WeakPolarHBondContact OG-CB 3.43Å
32V98.4Very high97.3Very high15 Ų1549.1 Ų49.19%0.09125%0.252CS..EExtended strand (participates in β ladder)trans-132.2147.2171.867.60000110.5Y4 F7 K8 L36 N37Y4-V32 HydrophobicContact CD2-CG1 4.17Å; Y4-V32 HydrophobicContact CE2-CG1 4.28Å; F7-V32 HydrophobicContact CB-CB 4.06Å; F7-V32 HydrophobicContact CB-CG1 3.78Å; F7-V32 HydrophobicContact CB-CG2 3.88Å; F7-V32 HydrophobicContact CG-CG2 4.5Å; K8-V32 HydrophobicContact CG-CG1 3.83Å; V32-L36 HydrophobicContact CG2-CD2 4.45Å; V32-N37 VanDerWaalsContact CA-O 3.31Å; V32-N37 WeakPolarHBondContact CA-O 3.42Å
33D97.8Very high97.5Very high51 Ų5145.9 Ų45.927%0.27323%0.234SC..  trans-113.9-178.7174.376.313.2000113.3Y4 Y35 L36 N37Y4-D33 VanDerWaalsContact CD2-O 3.27Å; Y4-D33 WeakPolarHBondContact CD2-O 3.42Å; D33-Y35 PolarHBondContact O-N 3.33Å; D33-Y35 WeakPolarHBondContact OD1-CA 3.43Å; D33-Y35 PolarHBondContact OD1-N 3.32Å; D33-L36 WeakPolarHBondContact O-CA 3.47Å; D33-L36 PolarHBondContact O-N 3.19Å; D33-L36 PolarHBondContact OD1-N 3.43Å; D33-N37 PolarHBondContact N-O 3.02Å; D33-N37 WeakPolarHBondContact OD1-CB 3.37Å; D33-N37 PolarHBondContact OD1-N 3.01Å; D33-N37 PolarHBondContact OD1-ND2 3.06Å; D33-N37 WeakPolarHBondContact OD2-CB 3.21Å; D33-N37 PolarHBondContact OD2-ND2 3.29Å
34Q95.9Very high97.5Very high138 Ų13848.8 Ų48.865%0.64526%0.255SS*.THydrogen-bonded Turntrans-63.8-20.4-17868.1-175.6-6.100114.6L36Q34-L36 VanDerWaalsContact C-N 3.3Å
35Y97.4Very high97.3Very high161 Ų16148.6 Ų48.663%0.63125%0.253SS*.THydrogen-bonded Turntrans-94.78.4175.3-60.7-66.4000112.1D33 N37D33-Y35 PolarHBondContact O-N 3.33Å; D33-Y35 WeakPolarHBondContact OD1-CA 3.43Å; D33-Y35 PolarHBondContact OD1-N 3.32Å; Y35-N37 PolarHBondContact O-N 3.2Å
36L98.3Very high96.8Very high56 Ų5652.7 Ų52.729%0.29328%0.278SS..  trans59.429.7-175.8-44.6-179.7000111.9F3 F7 V32 D33 Q34 G64F3-L36 HydrophobicContact CB-CD1 4.1Å; F3-L36 HydrophobicContact CB-CD2 4.24Å; F7-L36 HydrophobicContact CD2-CD2 4.28Å; V32-L36 HydrophobicContact CG2-CD2 4.45Å; D33-L36 WeakPolarHBondContact O-CA 3.47Å; D33-L36 PolarHBondContact O-N 3.19Å; D33-L36 PolarHBondContact OD1-N 3.43Å; Q34-L36 VanDerWaalsContact C-N 3.3Å; L36-G64 VanDerWaalsContact O-CA 3.25Å; L36-G64 WeakPolarHBondContact O-CA 3.35Å
37N98.4Very high96.4Very high22 Ų2255.1 Ų55.112%0.11829%0.288CS..  trans-67.2137.8165.3-57.9-47.9000108.4V32 D33 Y35 F61 I62 R63 G64V32-N37 VanDerWaalsContact CA-O 3.31Å; V32-N37 WeakPolarHBondContact CA-O 3.42Å; D33-N37 PolarHBondContact N-O 3.02Å; D33-N37 WeakPolarHBondContact OD1-CB 3.37Å; D33-N37 PolarHBondContact OD1-N 3.01Å; D33-N37 PolarHBondContact OD1-ND2 3.06Å; D33-N37 WeakPolarHBondContact OD2-CB 3.21Å; D33-N37 PolarHBondContact OD2-ND2 3.29Å; Y35-N37 PolarHBondContact O-N 3.2Å; N37-F61 HydrophobicContact CB-CE2 3.7Å; N37-F61 HydrophobicContact CB-CZ 3.56Å; N37-I62 CarbonylContact C-O 3.26Å; N37-I62 WeakPolarHBondContact CA-O 3.46Å; N37-R63 VanDerWaalsContact OD1-CA 3.3Å; N37-R63 WeakPolarHBondContact OD1-CA 3.5Å; N37-G64 PolarHBondContact OD1-N 3.35Å
38I98.7Very high95.8Very high4 Ų457.6 Ų57.62%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-115.9132.3-172.3-71.9168.9000108.9V17 L29 L40 I62 V70V17-I38 HydrophobicContact CG2-CD1 4.34Å; L29-I38 HydrophobicContact CD1-CB 4.49Å; L29-I38 HydrophobicContact CD1-CG1 4.43Å; L29-I38 HydrophobicContact CD1-CG2 3.61Å; I38-L40 HydrophobicContact CG2-CD2 3.66Å; I38-L40 HydrophobicContact CG2-CG 3.83Å; I38-I62 HydrophobicContact CB-CB 4.48Å; I38-I62 PolarHBondContact N-O 2.93Å; I38-I62 PolarHBondContact O-N 3.44Å; I38-V70 HydrophobicContact CD1-CG2 4.11Å
39K98.4Very high95.3Very high83 Ų8365 Ų6536%0.36134%0.336SS..EExtended strand (participates in β ladder)trans-106.1122.2165.2-166.7173.2170.9-168.40108.7H30 S31 C60H30-K39 HydrophobicContact CB-CB 4.47Å; H30-K39 HydrophobicContact CB-CG 4.49Å; H30-K39 WeakPolarHBondContact CB-O 3.38Å; H30-K39 PolarHBondContact N-O 2.72Å; S31-K39 PolarHBondContact N-O 2.88Å; S31-K39 PolarHBondContact O-N 2.91Å; S31-K39 VanDerWaalsContact OG-CB 3.23Å; S31-K39 WeakPolarHBondContact OG-CB 3.43Å; K39-C60 WeakPolarHBondContact CA-O 3.42Å
40L98.3Very high94.8Very high0 Ų071 Ų710%036%0.362CS..EExtended strand (participates in β ladder)trans-106.2146.2172.3-61.1-178.5000110.3V15 V17 I25 T28 L29 I38 I43 N59 C60 I62V15-L40 HydrophobicContact CG2-CD2 3.76Å; V17-L40 HydrophobicContact CB-CD1 4.45Å; V17-L40 HydrophobicContact CG2-CD1 3.94Å; I25-L40 HydrophobicContact CB-CD1 4.46Å; I25-L40 HydrophobicContact CG2-CD1 3.97Å; T28-L40 WeakPolarHBondContact O-CA 3.43Å; L29-L40 HydrophobicContact CB-CD2 4.44Å; L29-L40 HydrophobicContact CD1-CD2 4.23Å; I38-L40 HydrophobicContact CG2-CD2 3.66Å; I38-L40 HydrophobicContact CG2-CG 3.83Å; L40-I43 HydrophobicContact CB-CG2 3.55Å; L40-I43 HydrophobicContact CD1-CG2 4.49Å; L40-N59 WeakPolarHBondContact O-CA 3.35Å; L40-C60 PolarHBondContact N-O 3.16Å; L40-C60 PolarHBondContact O-N 3.19Å; L40-I62 HydrophobicContact CD1-CD1 4.01Å; L40-I62 HydrophobicContact CG-CD1 4.38Å
41T98Very high94.4Very high25 Ų2567.7 Ų67.715%0.15335%0.346CS..EExtended strand (participates in β ladder)trans-119.4161170.352.90000110.7T28 H30 I43 K58 N59T28-T41 PolarHBondContact N-O 3.46Å; T28-T41 PolarHBondContact O-N 2.77Å; H30-T41 HydrophobicContact CB-CG2 3.79Å; T41-I43 VanDerWaalsContact C-N 3.29Å; T41-I43 PolarHBondContact O-N 3.39Å; T41-K58 CarbonylContact C-O 3.56Å; T41-N59 WeakPolarHBondContact CA-OD1 3.34Å; T41-N59 WeakPolarHBondContact CB-OD1 3.37Å; T41-N59 WeakPolarHBondContact CG2-OD1 3.23Å
42D96.1Very high94Very high124 Ų12469 Ų6966%0.66335%0.353SS*.EExtended strand (participates in β ladder)trans49.149.3-179.1-61.5-42.8000112.9K58 N59D42-K58 WeakPolarHBondContact CA-O 2.94Å; D42-K58 PolarHBondContact N-O 3.19Å; D42-N59 PolarHBondContact N-OD1 3.1Å
43I96.6Very high93.4Very high20 Ų2074.1 Ų74.110%0.10338%0.376CS..EExtended strand (participates in β ladder)trans-75.9152.5-171.375.1176.4000113I25 C26 L40 T41 M54 V57 K58 C60I25-I43 HydrophobicContact CG2-CB 3.88Å; I25-I43 HydrophobicContact CG2-CD1 4.18Å; I25-I43 HydrophobicContact CG2-CG2 4.14Å; C26-I43 CarbonylContact O-C 3.59Å; C26-I43 WeakPolarHBondContact O-CA 3.45Å; C26-I43 WeakPolarHBondContact O-CB 3.27Å; L40-I43 HydrophobicContact CB-CG2 3.55Å; L40-I43 HydrophobicContact CD1-CG2 4.49Å; T41-I43 VanDerWaalsContact C-N 3.29Å; T41-I43 PolarHBondContact O-N 3.39Å; I43-M54 HydrophobicContact CD1-CE 3.82Å; I43-V57 HydrophobicContact CD1-CB 4.08Å; I43-V57 HydrophobicContact CD1-CG1 3.67Å; I43-V57 WeakPolarHBondContact CD1-O 3.13Å; I43-V57 WeakPolarHBondContact CG1-O 3.35Å; I43-K58 PolarHBondContact N-O 3.37Å; I43-C60 HydrophobicContact CD1-CB 3.89Å
44S94.3Very high92.9Very high69 Ų6972.8 Ų72.848%0.48337%0.368SS..EExtended strand (participates in β ladder)trans-136149164.559.80000110.1C26C26-S44 PolarHBondContact N-O 2.78Å; C26-S44 PolarHBondContact O-N 3.33Å
45V92.8Very high92.4Very high24 Ų2472.4 Ų72.415%0.14537%0.37CS..EExtended strand (participates in β ladder)trans-102.3134.8176176.70000108.8L23 D47 Y51 M54L23-V45 HydrophobicContact CD1-CG1 3.59Å; L23-V45 HydrophobicContact CD1-CG2 4.37Å; V45-D47 VanDerWaalsContact C-N 3.33Å; V45-D47 PolarHBondContact O-N 2.88Å; V45-Y51 HydrophobicContact CG1-CD2 4.28Å; V45-M54 HydrophobicContact CB-CB 4.48Å; V45-M54 HydrophobicContact CG2-CB 3.45Å; V45-M54 VanDerWaalsContact CG2-CB 3.45Å; V45-M54 HydrophobicContact CG2-CE 4.14Å; V45-M54 HydrophobicContact CG2-CG 3.91Å
46T86.3Confident92Very high88 Ų8870 Ų7054%0.5438%0.376SS..SBendtrans-64.1-37.5-177.6-44.20000112.3S24 P48S24-T46 PolarHBondContact O-N 2.89Å; T46-P48 VanDerWaalsContact O-CD 3.24Å; T46-P48 WeakPolarHBondContact O-CD 3.21Å
47D87.6Confident91.7Very high91 Ų9169.6 Ų69.649%0.48738%0.377SS..  trans-116.275.9179-68.3-34.8000112.1V45 E49 K50 Y51V45-D47 VanDerWaalsContact C-N 3.33Å; V45-D47 PolarHBondContact O-N 2.88Å; D47-E49 VanDerWaalsContact C-N 3.29Å; D47-E49 PolarHBondContact O-N 2.72Å; D47-K50 HydrophobicContact CB-CB 4.17Å; D47-K50 PolarHBondContact O-N 2.96Å; D47-Y51 HydrophobicContact CB-CD2 4.39Å; D47-Y51 WeakPolarHBondContact O-CD2 3.33Å; D47-Y51 PolarHBondContact O-N 3.38Å
48P84.7Confident91.4Very high55 Ų5575.8 Ų75.836%0.35740%0.402SS..THydrogen-bonded Turntrans-64-30.4-175.123-31.9000113.7T46 K50 Y51 P52 L55T46-P48 VanDerWaalsContact O-CD 3.24Å; T46-P48 WeakPolarHBondContact O-CD 3.21Å; P48-K50 VanDerWaalsContact C-N 3.34Å; P48-K50 PolarHBondContact O-N 2.93Å; P48-Y51 CarbonylContact O-C 3.52Å; P48-Y51 VanDerWaalsContact O-C 3.26Å; P48-Y51 PolarHBondContact O-N 3.29Å; P48-P52 WeakPolarHBondContact O-CA 3.38Å; P48-P52 VanDerWaalsContact O-N 3.16Å; P48-L55 HydrophobicContact CB-CD2 3.71Å
49E87.8Confident91.3Very high190 Ų19079.8 Ų79.889%0.88842%0.424SS*.THydrogen-bonded Turntrans-67.2-34.9179.3-62.7-170.7160.600112.5D47D47-E49 VanDerWaalsContact C-N 3.29Å; D47-E49 PolarHBondContact O-N 2.72Å
50K89.1Confident91.1Very high128 Ų12877.2 Ų77.256%0.55742%0.416SS*.THydrogen-bonded Turntrans-78.7-27.6178.1-171.2177.7174.8-161.90111.9D47 P48 P52D47-K50 HydrophobicContact CB-CB 4.17Å; D47-K50 PolarHBondContact O-N 2.96Å; P48-K50 VanDerWaalsContact C-N 3.34Å; P48-K50 PolarHBondContact O-N 2.93Å; K50-P52 VanDerWaalsContact C-CD 3.44Å
51Y88.6Confident91.1Very high28 Ų2883.4 Ų83.411%0.1144%0.443CS..  trans-128.160.9-177.5-55.4-84.8000112.5N21 L23 V45 D47 P48 H53 M54N21-Y51 PolarHBondContact O-OH 3.15Å; L23-Y51 HydrophobicContact CB-CE1 4.16Å; L23-Y51 HydrophobicContact CB-CE2 4.47Å; L23-Y51 HydrophobicContact CD1-CD1 3.98Å; L23-Y51 HydrophobicContact CD1-CD2 3.61Å; L23-Y51 HydrophobicContact CD1-CE1 4.26Å; L23-Y51 HydrophobicContact CD1-CE2 3.89Å; L23-Y51 HydrophobicContact CD1-CG 3.67Å; V45-Y51 HydrophobicContact CG1-CD2 4.28Å; D47-Y51 HydrophobicContact CB-CD2 4.39Å; D47-Y51 WeakPolarHBondContact O-CD2 3.33Å; D47-Y51 PolarHBondContact O-N 3.38Å; P48-Y51 CarbonylContact O-C 3.52Å; P48-Y51 VanDerWaalsContact O-C 3.26Å; P48-Y51 PolarHBondContact O-N 3.29Å; Y51-H53 AromaticContact CD1-CE1 3.77Å; Y51-H53 PolarHBondContact O-N 2.96Å; Y51-H53 VanDerWaalsContact O-N 3.13Å; Y51-M54 PolarHBondContact O-N 3.01Å; Y51-M54 VanDerWaalsContact O-N 3.08Å
52P90.3Very high91.1Very high78 Ų7882.5 Ų82.551%0.50644%0.437SS..G310 helixtrans-65.2-23.4-173.125.9-35.5000113.4P48 K50 M54 L55P48-P52 WeakPolarHBondContact O-CA 3.38Å; P48-P52 VanDerWaalsContact O-N 3.16Å; K50-P52 VanDerWaalsContact C-CD 3.44Å; P52-M54 PolarHBondContact O-N 2.85Å; P52-M54 VanDerWaalsContact O-N 3.17Å; P52-L55 HydrophobicContact CB-CD1 4.27Å; P52-L55 WeakPolarHBondContact O-CB 3.43Å; P52-L55 WeakPolarHBondContact O-CG 3.42Å; P52-L55 PolarHBondContact O-N 3.4Å
53H86Confident91.2Very high122 Ų12284.6 Ų84.657%0.56544%0.436SS*.G310 helixtrans-63.7-17176.456-88000113.6Y51Y51-H53 AromaticContact CD1-CE1 3.77Å; Y51-H53 PolarHBondContact O-N 2.96Å; Y51-H53 VanDerWaalsContact O-N 3.13Å
54M88.3Confident91.3Very high23 Ų2384.4 Ų84.411%0.11344%0.439CS..G310 helixtrans-88-12.3178.7-66.6-66-71.500113.3I25 I43 V45 Y51 P52 S56 V57I25-M54 HydrophobicContact CD1-CE 3.94Å; I25-M54 HydrophobicContact CG1-CE 4.44Å; I43-M54 HydrophobicContact CD1-CE 3.82Å; V45-M54 HydrophobicContact CB-CB 4.48Å; V45-M54 HydrophobicContact CG2-CB 3.45Å; V45-M54 VanDerWaalsContact CG2-CB 3.45Å; V45-M54 HydrophobicContact CG2-CE 4.14Å; V45-M54 HydrophobicContact CG2-CG 3.91Å; Y51-M54 PolarHBondContact O-N 3.01Å; Y51-M54 VanDerWaalsContact O-N 3.08Å; P52-M54 PolarHBondContact O-N 2.85Å; P52-M54 VanDerWaalsContact O-N 3.17Å; M54-S56 PolarHBondContact O-N 2.99Å; M54-V57 WeakPolarHBondContact O-CB 3.16Å; M54-V57 PolarHBondContact O-N 2.97Å; M54-V57 HydrophobicContact SD-CG2 4.39Å
55L85Confident91.5Very high130 Ų13084.1 Ų84.168%0.68144%0.437SS*.THydrogen-bonded Turntrans-60.2-30.9-173.3-73.6170.5000114.2P48 P52P48-L55 HydrophobicContact CB-CD2 3.71Å; P52-L55 HydrophobicContact CB-CD1 4.27Å; P52-L55 WeakPolarHBondContact O-CB 3.43Å; P52-L55 WeakPolarHBondContact O-CG 3.42Å; P52-L55 PolarHBondContact O-N 3.4Å
56S89.3Confident91.7Very high109 Ų10986 Ų8676%0.76245%0.448SS*.THydrogen-bonded Turntrans-90.1-6.5178.256.10000113.6M54M54-S56 PolarHBondContact O-N 2.99Å
57V91.5Very high92.3Very high49 Ų4983 Ų8330%0.29743%0.43SS..  trans-89.3118.8-173.7-174.80000108.9I43 M54 N59I43-V57 HydrophobicContact CD1-CB 4.08Å; I43-V57 HydrophobicContact CD1-CG1 3.67Å; I43-V57 WeakPolarHBondContact CD1-O 3.13Å; I43-V57 WeakPolarHBondContact CG1-O 3.35Å; M54-V57 WeakPolarHBondContact O-CB 3.16Å; M54-V57 PolarHBondContact O-N 2.97Å; M54-V57 HydrophobicContact SD-CG2 4.39Å; V57-N59 WeakPolarHBondContact CG1-O 3.47Å
58K92.7Very high92.8Very high151 Ų15183.1 Ų83.166%0.65742%0.424SS*.SBendtrans-96.2-28.6176.7-64-169.5176-169.90113.7T41 D42 I43T41-K58 CarbonylContact C-O 3.56Å; D42-K58 WeakPolarHBondContact CA-O 2.94Å; D42-K58 PolarHBondContact N-O 3.19Å; I43-K58 PolarHBondContact N-O 3.37Å
59N95Very high93.5Very high89 Ų8987.3 Ų87.348%0.47643%0.433SS..  trans-131.6141-178.1-58.3-38.4000108.9L40 T41 D42 V57L40-N59 WeakPolarHBondContact O-CA 3.35Å; T41-N59 WeakPolarHBondContact CA-OD1 3.34Å; T41-N59 WeakPolarHBondContact CB-OD1 3.37Å; T41-N59 WeakPolarHBondContact CG2-OD1 3.23Å; D42-N59 PolarHBondContact N-OD1 3.1Å; V57-N59 WeakPolarHBondContact CG1-O 3.47Å
60C95.5Very high94Very high29 Ų2979.9 Ų79.920%0.19640%0.401CS..EExtended strand (participates in β ladder)trans-133.9142.8179.9-171.60000111.2K39 L40 I43K39-C60 WeakPolarHBondContact CA-O 3.42Å; L40-C60 PolarHBondContact N-O 3.16Å; L40-C60 PolarHBondContact O-N 3.19Å; I43-C60 HydrophobicContact CD1-CB 3.89Å
61F97.9Very high94.4Very high129 Ų12978.7 Ų78.757%0.56640%0.397SS*.EExtended strand (participates in β ladder)trans-105.7121.9165175.4-94.9000108.7N37N37-F61 HydrophobicContact CB-CE2 3.7Å; N37-F61 HydrophobicContact CB-CZ 3.56Å
62I98.1Very high94.8Very high6 Ų679.9 Ų79.93%0.03141%0.405CS..EExtended strand (participates in β ladder)trans-112.8124.3-175.4-55.9172.6000108.1V17 L19 I25 N37 I38 L40 G64 V66 V67V17-I62 HydrophobicContact CB-CD1 4.17Å; V17-I62 HydrophobicContact CG1-CD1 3.99Å; V17-I62 HydrophobicContact CG2-CD1 4.46Å; L19-I62 HydrophobicContact CD2-CG2 3.58Å; I25-I62 HydrophobicContact CD1-CD1 4.11Å; N37-I62 CarbonylContact C-O 3.26Å; N37-I62 WeakPolarHBondContact CA-O 3.46Å; I38-I62 HydrophobicContact CB-CB 4.48Å; I38-I62 PolarHBondContact N-O 2.93Å; I38-I62 PolarHBondContact O-N 3.44Å; L40-I62 HydrophobicContact CD1-CD1 4.01Å; L40-I62 HydrophobicContact CG-CD1 4.38Å; I62-G64 PolarHBondContact O-N 3.15Å; I62-V66 HydrophobicContact CG2-CG2 4.03Å; I62-V67 HydrophobicContact CG2-CG2 3.75Å
63R98.4Very high94.8Very high168 Ų16878.2 Ų78.263%0.63440%0.395SS*.  trans-70126.9174.2-170.4179.6178.2172.10.2109.7N37 S65 V66N37-R63 VanDerWaalsContact OD1-CA 3.3Å; N37-R63 WeakPolarHBondContact OD1-CA 3.5Å; R63-S65 WeakPolarHBondContact CD-OG 3.47Å; R63-S65 WeakPolarHBondContact CG-OG 3.31Å; R63-S65 PolarHBondContact NE-OG 3.06Å; R63-S65 PolarHBondContact O-N 2.85Å; R63-V66 HydrophobicContact CB-CG2 4.36Å; R63-V66 WeakPolarHBondContact O-CG2 3.43Å; R63-V66 PolarHBondContact O-N 2.86Å
64G98Very high95.1Very high16 Ų1676.7 Ų76.717%0.16540%0.403CS..G310 helixtrans-56-31.8-175.500000113.4L36 N37 I62 V66 V67L36-G64 VanDerWaalsContact O-CA 3.25Å; L36-G64 WeakPolarHBondContact O-CA 3.35Å; N37-G64 PolarHBondContact OD1-N 3.35Å; I62-G64 PolarHBondContact O-N 3.15Å; G64-V66 PolarHBondContact O-N 3.47Å; G64-V67 PolarHBondContact O-N 2.93Å
65S98.3Very high95.4Very high64 Ų6482.1 Ų82.145%0.44843%0.432SS..G310 helixtrans-66.7-18.517965.40000115K20 R63K20-S65 WeakPolarHBondContact CE-O 3.49Å; K20-S65 PolarHBondContact NZ-O 2.91Å; R63-S65 WeakPolarHBondContact CD-OG 3.47Å; R63-S65 WeakPolarHBondContact CG-OG 3.31Å; R63-S65 PolarHBondContact NE-OG 3.06Å; R63-S65 PolarHBondContact O-N 2.85Å
66V98.3Very high95.8Very high62 Ų6278.7 Ų78.738%0.37641%0.413SS..G310 helixtrans-97.1-7178.3-57.50000113.2L19 K20 I62 R63 G64L19-V66 WeakPolarHBondContact CA-O 3.39Å; L19-V66 HydrophobicContact CD2-CG2 4.26Å; K20-V66 WeakPolarHBondContact CG-O 3.42Å; K20-V66 PolarHBondContact N-O 3.31Å; I62-V66 HydrophobicContact CG2-CG2 4.03Å; R63-V66 HydrophobicContact CB-CG2 4.36Å; R63-V66 WeakPolarHBondContact O-CG2 3.43Å; R63-V66 PolarHBondContact O-N 2.86Å; G64-V66 PolarHBondContact O-N 3.47Å
67V98.4Very high96.1Very high27 Ų2774.9 Ų74.916%0.16439%0.385CS..EExtended strand (participates in β ladder)trans-71.6135.9175.6-179.50000109.3V17 L19 I62 G64 V70V17-V67 HydrophobicContact CG1-CG1 3.97Å; V17-V67 HydrophobicContact CG1-CG2 3.96Å; L19-V67 HydrophobicContact CD2-CG2 4.33Å; I62-V67 HydrophobicContact CG2-CG2 3.75Å; G64-V67 PolarHBondContact O-N 2.93Å; V67-V70 HydrophobicContact CG1-CG2 3.82Å
68R98.4Very high96.4Very high93 Ų9377.1 Ų77.135%0.35140%0.395SS..EExtended strand (participates in β ladder)trans-102.4-53169.8-172.5-171.3-66.4154.1-4.8110.1E18 K20 D22E18-R68 WeakPolarHBondContact O-CA 3.24Å; E18-R68 PolarHBondContact O-N 2.98Å; E18-R68 IonicContact OE1-CZ 2.75Å; E18-R68 IonicContact OE1-NH1 2.68Å; E18-R68 PolarHBondContact OE1-NH1 3.39Å; K20-R68 HydrophobicContact CG-CB 4.13Å; K20-R68 PolarHBondContact O-NH2 2.92Å; D22-R68 IonicContact OD1-CZ 3.83Å; D22-R68 IonicContact OD1-NH1 2.87Å; D22-R68 PolarHBondContact OD1-NH1 2.91Å; D22-R68 IonicContact OD1-NH2 2.75Å; D22-R68 PolarHBondContact OD1-NH2 3.44Å
69Y98.4Very high96.6Very high142 Ų14273.9 Ų73.956%0.55739%0.388SS*.EExtended strand (participates in β ladder)trans-135.8153179.8-59-56.8000111.8E18E18-Y69 PolarHBondContact N-O 2.83Å; E18-Y69 PolarHBondContact O-N 2.85Å
70V98.1Very high96.7Very high35 Ų3576.4 Ų76.421%0.21240%0.397CS..EExtended strand (participates in β ladder)trans-125.4115.1165.1-172.40000106.9F7 V15 V16 V17 I38 V67 L72F7-V70 HydrophobicContact CE1-CB 4.2Å; F7-V70 HydrophobicContact CE1-CG1 4.08Å; F7-V70 HydrophobicContact CE1-CG2 4.22Å; F7-V70 HydrophobicContact CZ-CB 4.33Å; F7-V70 HydrophobicContact CZ-CG2 4.08Å; V15-V70 HydrophobicContact CB-CG1 4.16Å; V15-V70 HydrophobicContact CG2-CG1 4.5Å; V16-V70 CarbonylContact O-C 3.58Å; V16-V70 WeakPolarHBondContact O-CA 3.36Å; V17-V70 HydrophobicContact CG2-CG1 4.32Å; V17-V70 HydrophobicContact CG2-CG2 4.41Å; I38-V70 HydrophobicContact CD1-CG2 4.11Å; V67-V70 HydrophobicContact CG1-CG2 3.82Å; V70-L72 HydrophobicContact CG1-CD2 3.66Å; V70-L72 HydrophobicContact CG1-CG 4.33Å
71Q97.9Very high96.8Very high103 Ų10380.6 Ų80.648%0.48142%0.417SS..EExtended strand (participates in β ladder)trans-86.5132.4175.2-47.8178.17.200108.4V16V16-Q71 HydrophobicContact CB-CB 4.05Å; V16-Q71 HydrophobicContact CB-CG 4.27Å; V16-Q71 PolarHBondContact N-O 3.35Å; V16-Q71 VanDerWaalsContact N-O 3.15Å; V16-Q71 PolarHBondContact O-N 2.78Å
72L96.6Very high96.7Very high53 Ų5377.1 Ų77.128%0.27740%0.404SS..  trans-127.4148-170.9-58.3175.9000110.1F6 L10 V15 V70 V77F6-L72 HydrophobicContact CE1-CD1 3.63Å; F6-L72 HydrophobicContact CZ-CD1 3.65Å; L10-L72 HydrophobicContact CD1-CD1 3.75Å; L10-L72 HydrophobicContact CD1-CD2 3.78Å; L10-L72 HydrophobicContact CD1-CG 4.38Å; V15-L72 HydrophobicContact CB-CD2 4.2Å; V15-L72 HydrophobicContact CG1-CD2 3.49Å; V15-L72 VanDerWaalsContact CG1-CD2 3.49Å; V70-L72 HydrophobicContact CG1-CD2 3.66Å; V70-L72 HydrophobicContact CG1-CG 4.33Å; L72-V77 HydrophobicContact CB-CG2 4.49Å; L72-V77 HydrophobicContact CD1-CG2 4.35Å
73P89.9Confident96.7Very high43 Ų4381.5 Ų81.528%0.27943%0.425SS..  trans-63.9133.8167-11.826.3000109.9D75 E76P73-D75 VanDerWaalsContact C-N 3.28Å; P73-D75 WeakPolarHBondContact CB-OD1 3.48Å; P73-D75 PolarHBondContact O-N 2.92Å; P73-E76 HydrophobicContact CB-CB 4.37Å; P73-E76 HydrophobicContact CB-CG 3.86Å; P73-E76 HydrophobicContact CG-CG 3.96Å; P73-E76 PolarHBondContact O-N 3.28Å
74A93.3Very high96.6Very high90 Ų9077.2 Ų77.274%0.74441%0.414SS*.G310 helixtrans-68.6-29.4-176.600000112.8E76 V77A74-E76 PolarHBondContact O-N 2.96Å; A74-V77 PolarHBondContact O-N 2.97Å
75D95.2Very high96.6Very high136 Ų13678 Ų7873%0.72742%0.419SS*.G310 helixtrans-67.2-21.6176.353.7-40.2000113.5P73 V77P73-D75 VanDerWaalsContact C-N 3.28Å; P73-D75 WeakPolarHBondContact CB-OD1 3.48Å; P73-D75 PolarHBondContact O-N 2.92Å; D75-V77 VanDerWaalsContact C-N 3.31Å
76E93.2Very high96.5Very high59 Ų5976.9 Ų76.928%0.27641%0.414SS..G310 helixtrans-87.91.7177.5-61.5-66.317100112.9L10 K13 P73 A74L10-E76 HydrophobicContact CD2-CB 3.79Å; K13-E76 VanDerWaalsContact CD-CD 3.5Å; K13-E76 HydrophobicContact CD-CG 4.21Å; K13-E76 WeakPolarHBondContact CD-OE1 3.25Å; K13-E76 WeakPolarHBondContact CD-OE2 3.46Å; K13-E76 WeakPolarHBondContact CE-OE1 3.5Å; K13-E76 WeakPolarHBondContact CE-OE2 3.39Å; K13-E76 HydrophobicContact CG-CG 4.28Å; K13-E76 IonicContact NZ-OE1 3.18Å; K13-E76 PolarHBondContact NZ-OE1 3.29Å; K13-E76 IonicContact NZ-OE2 2.81Å; K13-E76 PolarHBondContact NZ-OE2 3.2Å; P73-E76 HydrophobicContact CB-CB 4.37Å; P73-E76 HydrophobicContact CB-CG 3.86Å; P73-E76 HydrophobicContact CG-CG 3.96Å; P73-E76 PolarHBondContact O-N 3.28Å; A74-E76 PolarHBondContact O-N 2.96Å
77V96Very high96.4Very high29 Ų2980.6 Ų80.618%0.17642%0.421CS..  trans-122.6106.7-174.2-177.90000111.7F6 L72 A74 D75 T79 L82F6-V77 HydrophobicContact CE2-CG1 4.07Å; F6-V77 HydrophobicContact CE2-CG2 4.21Å; F6-V77 HydrophobicContact CZ-CG1 4.31Å; F6-V77 HydrophobicContact CZ-CG2 3.96Å; L72-V77 HydrophobicContact CB-CG2 4.49Å; L72-V77 HydrophobicContact CD1-CG2 4.35Å; A74-V77 PolarHBondContact O-N 2.97Å; D75-V77 VanDerWaalsContact C-N 3.31Å; V77-T79 HydrophobicContact CG1-CG2 4.46Å; V77-T79 PolarHBondContact O-N 3.28Å; V77-T79 VanDerWaalsContact O-N 3.16Å; V77-L82 HydrophobicContact CG1-CD2 4.38Å
78D96.6Very high96.3Very high95 Ų9585.9 Ų85.951%0.50844%0.442SS..  trans-75.5102166.4-173.6-26.3000110.3Q80 L81 L82D78-Q80 VanDerWaalsContact C-N 3.32Å; D78-Q80 PolarHBondContact O-N 3.46Å; D78-Q80 WeakPolarHBondContact OD1-CA 3.45Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.19Å; D78-Q80 PolarHBondContact OD1-N 2.88Å; D78-L81 HydrophobicContact CB-CB 4Å; D78-L81 PolarHBondContact O-N 2.85Å; D78-L81 PolarHBondContact OD1-N 3.22Å; D78-L82 WeakPolarHBondContact O-CB 3.48Å; D78-L82 PolarHBondContact O-N 3.21Å
79T96.8Very high96.1Very high84 Ų8483 Ų8352%0.51543%0.432SS..Hα-helixtrans-68-27.7-179.361.40000113.6V77 Q83V77-T79 HydrophobicContact CG1-CG2 4.46Å; V77-T79 PolarHBondContact O-N 3.28Å; V77-T79 VanDerWaalsContact O-N 3.16Å; T79-Q83 WeakPolarHBondContact O-CB 3.41Å; T79-Q83 WeakPolarHBondContact O-CG 3.45Å; T79-Q83 PolarHBondContact O-N 3.04Å; T79-Q83 PolarHBondContact O-NE2 3.42Å
80Q97.3Very high95.9Very high142 Ų14278.5 Ų78.566%0.66442%0.424SS*.Hα-helixtrans-70.3-47.4177.3-66.6-175-7.700109.9D78 L82 Q83 D84D78-Q80 VanDerWaalsContact C-N 3.32Å; D78-Q80 PolarHBondContact O-N 3.46Å; D78-Q80 WeakPolarHBondContact OD1-CA 3.45Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.19Å; D78-Q80 PolarHBondContact OD1-N 2.88Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 3.22Å; Q80-Q83 PolarHBondContact O-N 2.81Å; Q80-D84 PolarHBondContact O-N 2.92Å
81L96.9Very high95.8Very high117 Ų11783.4 Ų83.461%0.61345%0.447SS*.Hα-helixtrans-59.2-43.1175.5-177.863.9000111.4D78 D84 A85D78-L81 HydrophobicContact CB-CB 4Å; D78-L81 PolarHBondContact O-N 2.85Å; D78-L81 PolarHBondContact OD1-N 3.22Å; L81-D84 PolarHBondContact O-N 2.75Å; L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.3Å; L81-A85 PolarHBondContact O-N 3.19Å
82L97.1Very high95.4Very high55 Ų5584.4 Ų84.429%0.28845%0.452SS..Hα-helixtrans-64.1-42.3179.3-172.163.6000112.2F6 V77 D78 Q80 A86F6-L82 HydrophobicContact CD2-CD1 4.09Å; F6-L82 HydrophobicContact CE2-CD1 4.43Å; V77-L82 HydrophobicContact CG1-CD2 4.38Å; D78-L82 WeakPolarHBondContact O-CB 3.48Å; D78-L82 PolarHBondContact O-N 3.21Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 3.22Å; L82-A86 VanDerWaalsContact O-CB 3.28Å; L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 2.94Å
83Q97.6Very high94.8Very high99 Ų9988.6 Ų88.646%0.46347%0.47SS..Hα-helixtrans-61.9-47.2176.1-75.5172.240.500111.8T79 Q80 A86 R87T79-Q83 WeakPolarHBondContact O-CB 3.41Å; T79-Q83 WeakPolarHBondContact O-CG 3.45Å; T79-Q83 PolarHBondContact O-N 3.04Å; T79-Q83 PolarHBondContact O-NE2 3.42Å; Q80-Q83 PolarHBondContact O-N 2.81Å; Q83-A86 PolarHBondContact O-N 3.44Å; Q83-R87 WeakPolarHBondContact O-CG 3.42Å; Q83-R87 PolarHBondContact O-N 2.82Å; Q83-R87 VanDerWaalsContact O-N 3.09Å
84D96.9Very high94.2Very high78 Ų7895.4 Ų95.442%0.41750%0.495SS..Hα-helixtrans-66.3-42.3-179.1-76.9-9.9000111.9Q80 L81 A86 R87 K88Q80-D84 PolarHBondContact O-N 2.92Å; L81-D84 PolarHBondContact O-N 2.75Å; D84-A86 VanDerWaalsContact C-N 3.34Å; D84-A86 PolarHBondContact O-N 2.81Å; D84-R87 PolarHBondContact O-N 2.68Å; D84-R87 IonicContact OD1-CZ 2.69Å; D84-R87 IonicContact OD1-NH1 3.78Å; D84-R87 PolarHBondContact OD1-NH1 3.18Å; D84-K88 WeakPolarHBondContact O-CG 3.4Å; D84-K88 PolarHBondContact O-N 2.97Å; D84-K88 VanDerWaalsContact O-N 3.17Å
85A96.8Very high92.6Very high32 Ų32102 Ų10226%0.26451%0.51SS..Hα-helixtrans-64.2-38.7176.200000111.7L2 L81 K88 E89L2-A85 HydrophobicContact CD1-CB 3.37Å; L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.3Å; L81-A85 PolarHBondContact O-N 3.19Å; A85-K88 PolarHBondContact O-N 3.13Å; A85-E89 WeakPolarHBondContact O-CB 3.08Å; A85-E89 PolarHBondContact O-N 3.08Å
86A97.1Very high92.4Very high41 Ų41100.3 Ų100.334%0.33950%0.499SS..Hα-helixtrans-64.2-42.6176.200000112.8L2 L82 Q83 D84 K88 E89 A90L2-A86 HydrophobicContact CD2-CB 4.09Å; L82-A86 VanDerWaalsContact O-CB 3.28Å; L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 2.94Å; Q83-A86 PolarHBondContact O-N 3.44Å; D84-A86 VanDerWaalsContact C-N 3.34Å; D84-A86 PolarHBondContact O-N 2.81Å; A86-K88 VanDerWaalsContact C-N 3.35Å; A86-K88 PolarHBondContact O-N 2.79Å; A86-E89 PolarHBondContact O-N 3.26Å; A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 2.73Å
87R96.2Very high92.4Very high140 Ų140102.5 Ų102.553%0.52851%0.511SS..Hα-helixtrans-60.9-44.3175.7-68.1179.4-159.2127.95.8111.4Q83 D84 M91Q83-R87 WeakPolarHBondContact O-CG 3.42Å; Q83-R87 PolarHBondContact O-N 2.82Å; Q83-R87 VanDerWaalsContact O-N 3.09Å; D84-R87 PolarHBondContact O-N 2.68Å; D84-R87 IonicContact OD1-CZ 2.69Å; D84-R87 IonicContact OD1-NH1 3.78Å; D84-R87 PolarHBondContact OD1-NH1 3.18Å; R87-M91 WeakPolarHBondContact O-CG 3.17Å; R87-M91 PolarHBondContact O-N 3.42Å
88K95.3Very high92.2Very high138 Ų138106.6 Ų106.660%0.653%0.53SS*.Hα-helixtrans-65.1-47.8178.5-70.5174.6-177.6173.60112D84 A85 A86 A90 M91 Q92D84-K88 WeakPolarHBondContact O-CG 3.4Å; D84-K88 PolarHBondContact O-N 2.97Å; D84-K88 VanDerWaalsContact O-N 3.17Å; A85-K88 PolarHBondContact O-N 3.13Å; A86-K88 VanDerWaalsContact C-N 3.35Å; A86-K88 PolarHBondContact O-N 2.79Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 2.99Å; K88-M91 PolarHBondContact O-N 3.32Å; K88-Q92 WeakPolarHBondContact O-CG 3.38Å; K88-Q92 PolarHBondContact O-N 3.36Å; K88-Q92 VanDerWaalsContact O-N 3.1Å
89E95.3Very high91.9Very high31 Ų31107.2 Ų107.215%0.14553%0.531CS..Hα-helixtrans-61.2-41.7178.7178.485.9-158.100111.3M1 L2 A85 A86 M91 Q92 Q93M1-E89 PolarHBondContact N-OE1 3.28Å; M1-E89 PolarHBondContact N-OE2 3.05Å; L2-E89 HydrophobicContact CB-CB 4.29Å; L2-E89 HydrophobicContact CB-CG 3.96Å; L2-E89 PolarHBondContact N-OE2 3.28Å; A85-E89 WeakPolarHBondContact O-CB 3.08Å; A85-E89 PolarHBondContact O-N 3.08Å; A86-E89 PolarHBondContact O-N 3.26Å; E89-M91 VanDerWaalsContact C-N 3.31Å; E89-M91 PolarHBondContact O-N 3.18Å; E89-Q92 PolarHBondContact O-N 2.78Å; E89-Q93 HydrophobicContact CG-CG 4.48Å; E89-Q93 WeakPolarHBondContact O-CG 3.38Å; E89-Q93 PolarHBondContact O-N 3.48Å; E89-Q93 PolarHBondContact OE1-NE2 3.3Å
90A95Very high91.6Very high48 Ų48108.7 Ų108.740%0.39753%0.532SS..Hα-helixtrans-66-30.117900000113.6A86 K88 K94A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 2.73Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 2.99Å; A90-K94 WeakPolarHBondContact O-CG 3.36Å
91M94.1Very high91.3Very high139 Ų139106.5 Ų106.569%0.68552%0.523SS*.Hα-helixtrans-72.3-39.6172.1-69.8178.2-177.600111.5R87 K88 E89 K94R87-M91 WeakPolarHBondContact O-CG 3.17Å; R87-M91 PolarHBondContact O-N 3.42Å; K88-M91 PolarHBondContact O-N 3.32Å; E89-M91 VanDerWaalsContact C-N 3.31Å; E89-M91 PolarHBondContact O-N 3.18Å; M91-K94 PolarHBondContact O-N 2.86Å
92Q91Very high90.9Very high124 Ų124105.7 Ų105.758%0.57952%0.517SS*.Hα-helixtrans-68.4-38.1179.2-70.7172.71.600112.8K88 E89 K94 Q95K88-Q92 WeakPolarHBondContact O-CG 3.38Å; K88-Q92 PolarHBondContact O-N 3.36Å; K88-Q92 VanDerWaalsContact O-N 3.1Å; E89-Q92 PolarHBondContact O-N 2.78Å; Q92-K94 PolarHBondContact O-N 3.17Å; Q92-Q95 PolarHBondContact O-N 3.3Å
93Q83.1Confident90.4Very high141 Ų141109.6 Ų109.666%0.65954%0.535SS*.THydrogen-bonded Turntrans-69.8-15.6179.2-75.1-176.711.100114.3E89E89-Q93 HydrophobicContact CG-CG 4.48Å; E89-Q93 WeakPolarHBondContact O-CG 3.38Å; E89-Q93 PolarHBondContact O-N 3.48Å; E89-Q93 PolarHBondContact OE1-NE2 3.3Å
94K77.4Confident89.8Confident185 Ų185110.5 Ų110.580%0.80454%0.541SS*.THydrogen-bonded Turntrans-93.2-10.6179.9-73.3-179.7178.5-175.20113.5A90 M91 Q92A90-K94 WeakPolarHBondContact O-CG 3.36Å; M91-K94 PolarHBondContact O-N 2.86Å; Q92-K94 PolarHBondContact O-N 3.17Å
95Q59.3Low89.1Confident229 Ų229113.5 Ų113.5100%1.0755%0.552SS**  trans-890172.6-74.7-177.7-7.100110Q92Q92-Q95 PolarHBondContact O-N 3.3Å

Retrieved 95 of 95 residues in 63.9 ms (Link to these results)