A0A087X6D0_POEFO Loading...

U6 snRNA-associated Sm-like protein LSm5

Plays a role in U6 snRNP assembly and function. Binds to the 3' end 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 (A0A3Q2DQ55), UniProt , Accession A0A087X6D0, Species POEFO (Poecilia formosa, Amazon molly), Gene LSM5, Length 91 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
1M49.4Very low62.2Low243 Ų243121.5 Ų121.5100%1.19777%0.772SS**  092.30-61.4-57.4-15300107.7
2A45.8Very low64Low107 Ų107118 Ų11888%0.88474%0.743SS**PPolyproline II helixtrans-80.9129.8175.300000108.3T4A2-T4 PolarHBondContact O-N 2.92Å
3A52.9Low66Low96 Ų96115.8 Ų115.879%0.79372%0.721SS**PPolyproline II helixtrans-65.4125.7177.500000109.6P5A3-P5 WeakPolarHBondContact O-CD 3.29Å
4T59.6Low67.7Low133 Ų133114.8 Ų114.882%0.81672%0.717SS**PPolyproline II helixtrans-61.5118.816622.40000108.2A2 A6A2-T4 PolarHBondContact O-N 2.92Å; T4-A6 PolarHBondContact O-N 2.82Å
5P61.8Low69.3Low114 Ų114113 Ų11374%0.7470%0.7SS**PPolyproline II helixtrans-61.4132.4175.925-31.4000108.5A3 T7A3-P5 WeakPolarHBondContact O-CD 3.29Å; P5-T7 PolarHBondContact O-N 3.34Å
6A61Low70.7Confident103 Ų103110.6 Ų110.685%0.85168%0.678SS**  trans-60.9110.7173.800000108.5T4 N8T4-A6 PolarHBondContact O-N 2.82Å; A6-N8 PolarHBondContact O-N 3Å
7T61Low71.9Confident102 Ų102108.5 Ų108.563%0.62666%0.661SS**  trans-62.4122.2176-2.80000108.2P5P5-T7 PolarHBondContact O-N 3.34Å
8N70.6Confident73.1Confident88 Ų88103.2 Ų103.247%0.47163%0.629SS.*  trans-59.8125.6173.7-172.4-10.3000107.6A6 S10 Q11A6-N8 PolarHBondContact O-N 3Å; N8-S10 PolarHBondContact ND2-OG 2.67Å; N8-S10 PolarHBondContact O-N 3.4Å; N8-S10 PolarHBondContact OD1-N 3.07Å; N8-S10 PolarHBondContact OD1-OG 2.99Å; N8-Q11 HydrophobicContact CB-CB 4.12Å; N8-Q11 WeakPolarHBondContact O-CB 3.32Å; N8-Q11 PolarHBondContact O-N 3.04Å
9P66.2Low74.3Confident139 Ų139102.6 Ų102.690%0.90362%0.622SS**THydrogen-bonded Turntrans-60.4-11.7-177.622.5-34.4000114
10S77.6Confident75.3Confident97 Ų97103.6 Ų103.668%0.67862%0.617SS**THydrogen-bonded Turntrans-93.3-2.1171.955.20000114.7N8N8-S10 PolarHBondContact ND2-OG 2.67Å; N8-S10 PolarHBondContact O-N 3.4Å; N8-S10 PolarHBondContact OD1-N 3.07Å; N8-S10 PolarHBondContact OD1-OG 2.99Å
11Q78.4Confident76.2Confident114 Ų11499 Ų9953%0.53359%0.59SS.*  trans-96.4103178.6-172.8177.2-9.600109.8N8N8-Q11 HydrophobicContact CB-CB 4.12Å; N8-Q11 WeakPolarHBondContact O-CB 3.32Å; N8-Q11 PolarHBondContact O-N 3.04Å
12L83.2Confident78.5Confident80 Ų8090.8 Ų90.842%0.41955%0.55SS.*  trans-91.8124.6174.5-174.367000109.8E16 L17 K20L12-E16 HydrophobicContact CD1-CB 4.09Å; L12-E16 HydrophobicContact CD1-CG 3.98Å; L12-L17 HydrophobicContact CD2-CB 3.8Å; L12-L17 HydrophobicContact CD2-CD1 3.83Å; L12-L17 HydrophobicContact CD2-CG 4.24Å; L12-L17 HydrophobicContact CG-CB 4.19Å; L12-K20 HydrophobicContact CD1-CD 4.39Å; L12-K20 VanDerWaalsContact CD1-NZ 3.32Å
13L90.3Very high80.9Confident89 Ų8988.4 Ų88.447%0.46654%0.536SS..  trans-77.5145.1173.2-64.5177.4000110.3L15 E16 L17L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 2.9Å; L13-E16 HydrophobicContact CB-CB 4.08Å; L13-E16 WeakPolarHBondContact O-CA 3.23Å; L13-E16 WeakPolarHBondContact O-CB 3.32Å; L13-E16 PolarHBondContact O-N 3.33Å; L13-L17 PolarHBondContact O-N 2.8Å
14P90.5Very high83Confident102 Ų10286.6 Ų86.666%0.66252%0.518SS*.Hα-helixtrans-55.1-43.3179.8-28.735.8000113.7E16 L17 V18P14-E16 VanDerWaalsContact C-N 3.32Å; P14-E16 PolarHBondContact O-N 2.94Å; P14-L17 WeakPolarHBondContact O-CB 3.47Å; P14-L17 PolarHBondContact O-N 2.85Å; P14-V18 WeakPolarHBondContact O-CG2 3.48Å; P14-V18 PolarHBondContact O-N 2.76Å; P14-V18 VanDerWaalsContact O-N 3.13Å
15L91.7Very high84.8Confident88 Ų8886.5 Ų86.546%0.46150%0.503SS..Hα-helixtrans-69.2-30.2177.5-62.7179.9000112.6L13 L17 V18 D19 F43 V47L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 2.9Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-V18 PolarHBondContact O-N 2.76Å; L15-D19 WeakPolarHBondContact O-CB 3.45Å; L15-D19 PolarHBondContact O-N 2.92Å; L15-F43 HydrophobicContact CD2-CE2 4.11Å; L15-V47 HydrophobicContact CD2-CG2 4.25Å
16E91.6Very high86.5Confident75 Ų7581.1 Ų81.135%0.3547%0.468SS..Hα-helixtrans-68.7-34173.6-167.8-164.4150.400111.2L12 L13 P14 K20L12-E16 HydrophobicContact CD1-CB 4.09Å; L12-E16 HydrophobicContact CD1-CG 3.98Å; L13-E16 HydrophobicContact CB-CB 4.08Å; L13-E16 WeakPolarHBondContact O-CA 3.23Å; L13-E16 WeakPolarHBondContact O-CB 3.32Å; L13-E16 PolarHBondContact O-N 3.33Å; P14-E16 VanDerWaalsContact C-N 3.32Å; P14-E16 PolarHBondContact O-N 2.94Å; E16-K20 WeakPolarHBondContact O-CG 3.35Å; E16-K20 PolarHBondContact O-N 2.61Å; E16-K20 VanDerWaalsContact O-N 3.1Å; E16-K20 WeakPolarHBondContact OE1-CE 3.47Å; E16-K20 IonicContact OE1-NZ 2.93Å; E16-K20 PolarHBondContact OE1-NZ 3.4Å
17L91.2Very high88.2Confident74 Ų7476.8 Ų76.839%0.38743%0.429SS..Hα-helixtrans-64.2-44.8171.5178.162000111L12 L13 P14 L15 D19 K20 C21 P84L12-L17 HydrophobicContact CD2-CB 3.8Å; L12-L17 HydrophobicContact CD2-CD1 3.83Å; L12-L17 HydrophobicContact CD2-CG 4.24Å; L12-L17 HydrophobicContact CG-CB 4.19Å; L13-L17 PolarHBondContact O-N 2.8Å; P14-L17 WeakPolarHBondContact O-CB 3.47Å; P14-L17 PolarHBondContact O-N 2.85Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L17-D19 VanDerWaalsContact C-N 3.35Å; L17-K20 PolarHBondContact O-N 2.9Å; L17-C21 PolarHBondContact O-N 3Å; L17-C21 PolarHBondContact O-SG 2.86Å; L17-P84 HydrophobicContact CD1-CG 4.49Å; L17-P84 HydrophobicContact CG-CG 4.49Å
18V93.6Very high89.9Confident13 Ų1371.9 Ų71.98%0.07940%0.4CS..Hα-helixtrans-64.3-40.7178.6-178.80000111.2P14 L15 K20 C21 L40 F43 M49 L82P14-V18 WeakPolarHBondContact O-CG2 3.48Å; P14-V18 PolarHBondContact O-N 2.76Å; P14-V18 VanDerWaalsContact O-N 3.13Å; L15-V18 PolarHBondContact O-N 2.76Å; V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 2.85Å; V18-C21 WeakPolarHBondContact O-CA 3.46Å; V18-C21 VanDerWaalsContact O-CB 3.31Å; V18-C21 WeakPolarHBondContact O-CB 3.44Å; V18-C21 PolarHBondContact O-N 2.85Å; V18-L40 HydrophobicContact CG1-CD2 3.96Å; V18-F43 HydrophobicContact CB-CE1 4.2Å; V18-F43 HydrophobicContact CB-CZ 4.24Å; V18-F43 HydrophobicContact CG1-CD1 3.65Å; V18-F43 HydrophobicContact CG1-CD2 4.32Å; V18-F43 HydrophobicContact CG1-CE1 3.73Å; V18-F43 HydrophobicContact CG1-CE2 4.4Å; V18-F43 HydrophobicContact CG1-CG 3.98Å; V18-F43 HydrophobicContact CG1-CZ 4.11Å; V18-M49 HydrophobicContact CG1-CE 3.81Å; V18-L82 HydrophobicContact CG2-CD1 3.7Å
19D95.1Very high91.1Very high92 Ų9268.9 Ų68.949%0.49238%0.384SS..Hα-helixtrans-57.6-43.5173.8-174.173.5000112.1L15 L17 C21 I22 F43L15-D19 WeakPolarHBondContact O-CB 3.45Å; L15-D19 PolarHBondContact O-N 2.92Å; L17-D19 VanDerWaalsContact C-N 3.35Å; D19-C21 PolarHBondContact O-N 3.35Å; D19-C21 VanDerWaalsContact O-N 3.12Å; D19-I22 WeakPolarHBondContact O-CB 3.25Å; D19-I22 WeakPolarHBondContact O-CG1 2.96Å; D19-I22 PolarHBondContact O-N 2.82Å; D19-I22 VanDerWaalsContact O-N 3.11Å; D19-F43 HydrophobicContact CB-CE1 4.23Å; D19-F43 HydrophobicContact CB-CZ 4.38Å
20K93.9Very high92.4Very high122 Ų12263.1 Ų63.153%0.5335%0.346SS..THydrogen-bonded Turntrans-64.6-15.1174-72.2173.5-174.1167.50114.1L12 E16 L17 V18L12-K20 HydrophobicContact CD1-CD 4.39Å; L12-K20 VanDerWaalsContact CD1-NZ 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.35Å; E16-K20 PolarHBondContact O-N 2.61Å; E16-K20 VanDerWaalsContact O-N 3.1Å; E16-K20 WeakPolarHBondContact OE1-CE 3.47Å; E16-K20 IonicContact OE1-NZ 2.93Å; E16-K20 PolarHBondContact OE1-NZ 3.4Å; L17-K20 PolarHBondContact O-N 2.9Å; V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 2.85Å
21C95Very high93.2Very high8 Ų865.4 Ų65.45%0.05434%0.343CS..THydrogen-bonded Turntrans-90.3-5.2177.4-58.80000113.3L17 V18 D19 G23 S24 L40 P84L17-C21 PolarHBondContact O-N 3Å; L17-C21 PolarHBondContact O-SG 2.86Å; V18-C21 WeakPolarHBondContact O-CA 3.46Å; V18-C21 VanDerWaalsContact O-CB 3.31Å; V18-C21 WeakPolarHBondContact O-CB 3.44Å; V18-C21 PolarHBondContact O-N 2.85Å; D19-C21 PolarHBondContact O-N 3.35Å; D19-C21 VanDerWaalsContact O-N 3.12Å; C21-G23 PolarHBondContact O-N 3.02Å; C21-S24 WeakPolarHBondContact O-CA 3.48Å; C21-S24 VanDerWaalsContact O-CB 3.31Å; C21-S24 WeakPolarHBondContact O-CB 3.27Å; C21-S24 PolarHBondContact O-N 2.82Å; C21-L40 HydrophobicContact CB-CD2 4.11Å; C21-P84 WeakPolarHBondContact SG-CB 3.48Å; C21-P84 WeakPolarHBondContact SG-CG 3.49Å
22I96.8Very high93.8Very high70 Ų7064.2 Ų64.236%0.35934%0.344SS..THydrogen-bonded Turntrans-60.9134.4176-63.3171000109.5D19 S24 L40 F43D19-I22 WeakPolarHBondContact O-CB 3.25Å; D19-I22 WeakPolarHBondContact O-CG1 2.96Å; D19-I22 PolarHBondContact O-N 2.82Å; D19-I22 VanDerWaalsContact O-N 3.11Å; I22-S24 PolarHBondContact O-N 2.74Å; I22-L40 CarbonylContact C-O 3.59Å; I22-L40 WeakPolarHBondContact CA-O 3.33Å; I22-L40 HydrophobicContact CG1-CD2 4.06Å; I22-L40 HydrophobicContact CG1-CG 4.28Å; I22-F43 HydrophobicContact CD1-CD1 4.38Å; I22-F43 HydrophobicContact CD1-CE1 4.18Å
23G96.8Very high94Very high57 Ų5765.9 Ų65.959%0.58835%0.353SS*.THydrogen-bonded Turntrans76.3-0.8-172.900000114.4C21 L40C21-G23 PolarHBondContact O-N 3.02Å; G23-L40 PolarHBondContact N-O 2.94Å
24S97.1Very high94.2Very high58 Ų5863.9 Ų63.941%0.40634%0.341SS..SBendtrans-107.4158.1177.3-59.20000111.3C21 I22 T39 L40C21-S24 WeakPolarHBondContact O-CA 3.48Å; C21-S24 VanDerWaalsContact O-CB 3.31Å; C21-S24 WeakPolarHBondContact O-CB 3.27Å; C21-S24 PolarHBondContact O-N 2.82Å; I22-S24 PolarHBondContact O-N 2.74Å; S24-T39 WeakPolarHBondContact O-CA 3.4Å; S24-L40 PolarHBondContact O-N 3.36Å
25R96.8Very high94.4Very high132 Ų13261.1 Ų61.150%0.49832%0.319SS..EExtended strand (participates in β ladder)trans-68.2134.6172.3-171.9158.5-80.9154.4-3.4109.7V37 G38 G85R25-V37 HydrophobicContact CG-CG1 3.84Å; R25-G38 CarbonylContact C-O 3.6Å; R25-G38 WeakPolarHBondContact CA-O 3.46Å; R25-G85 VanDerWaalsContact O-CA 3.31Å; R25-G85 WeakPolarHBondContact O-CA 3.49Å; R25-G85 PolarHBondContact O-N 2.95Å
26I97.4Very high94.7Very high1 Ų157 Ų571%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-131.4142.7178.2-165.7167.5000109.3I28 V37 G38 L40 L51 L82I26-I28 HydrophobicContact CG1-CG1 4.3Å; I26-I28 HydrophobicContact CG2-CD1 4.22Å; I26-I28 HydrophobicContact CG2-CG1 4.1Å; I26-V37 WeakPolarHBondContact O-CA 3.39Å; I26-G38 PolarHBondContact N-O 2.99Å; I26-G38 PolarHBondContact O-N 3.43Å; I26-L40 HydrophobicContact CD1-CD2 4.48Å; I26-L40 HydrophobicContact CG2-CB 4.03Å; I26-L51 HydrophobicContact CG2-CD2 3.87Å; I26-L82 HydrophobicContact CD1-CB 4.21Å; I26-L82 HydrophobicContact CD1-CD2 4.03Å
27H97.4Very high94.9Very high11 Ų1153.9 Ų53.95%0.05128%0.284CS..EExtended strand (participates in β ladder)trans-108.2124.1170.8175.2-149.9000109.3E35 I36 V37 I83H27-E35 IonicContact CE1-OE2 3.86Å; H27-E35 PolarHBondContact CE1-OE2 2.8Å; H27-E35 IonicContact NE2-OE2 2.92Å; H27-E35 PolarHBondContact NE2-OE2 2.79Å; H27-I36 CarbonylContact C-O 3.52Å; H27-I36 WeakPolarHBondContact CA-O 3.33Å; H27-V37 HydrophobicContact CB-CG2 4.01Å; H27-I83 HydrophobicContact CB-CB 4.09Å; H27-I83 PolarHBondContact N-O 2.75Å; H27-I83 PolarHBondContact O-N 2.94Å
28I96.6Very high95.2Very high0 Ų050.4 Ų50.40%027%0.265CS..EExtended strand (participates in β ladder)trans-116.3124.3-175.1-51.9-171.6000109I26 M30 E35 I36 M49 L51 L74 I79 M81 L82I26-I28 HydrophobicContact CG1-CG1 4.3Å; I26-I28 HydrophobicContact CG2-CD1 4.22Å; I26-I28 HydrophobicContact CG2-CG1 4.1Å; I28-M30 HydrophobicContact CG2-SD 4.48Å; I28-E35 CarbonylContact O-C 3.59Å; I28-E35 WeakPolarHBondContact O-CA 3.36Å; I28-I36 HydrophobicContact CB-CB 4.4Å; I28-I36 PolarHBondContact N-O 2.77Å; I28-I36 PolarHBondContact O-N 2.9Å; I28-M49 HydrophobicContact CD1-SD 3.49Å; I28-M49 WeakPolarHBondContact CD1-SD 3.27Å; I28-L51 HydrophobicContact CD1-CD1 3.79Å; I28-L51 HydrophobicContact CD1-CD2 4.31Å; I28-L74 HydrophobicContact CB-CD2 4.39Å; I28-L74 HydrophobicContact CD1-CD2 3.7Å; I28-L74 HydrophobicContact CG2-CD2 3.85Å; I28-I79 HydrophobicContact CG2-CB 4.46Å; I28-I79 HydrophobicContact CG2-CD1 4.24Å; I28-I79 HydrophobicContact CG2-CG1 3.97Å; I28-I79 HydrophobicContact CG2-CG2 3.93Å; I28-M81 WeakPolarHBondContact CA-O 3.45Å; I28-L82 HydrophobicContact CB-CD2 4.3Å; I28-L82 HydrophobicContact CD1-CD2 3.89Å; I28-L82 HydrophobicContact CG1-CD2 3.73Å; I28-L82 HydrophobicContact CG2-CD2 3.96Å
29V95.5Very high95.4Very high24 Ų2450.6 Ų50.615%0.14527%0.267CS..EExtended strand (participates in β ladder)trans-100.8124.7175.4-174.80000108.5E35 T80 M81 I83V29-E35 HydrophobicContact CB-CG 4.42Å; V29-E35 HydrophobicContact CG1-CG 4.13Å; V29-E35 HydrophobicContact CG2-CG 4.19Å; V29-T80 WeakPolarHBondContact O-CA 3.31Å; V29-T80 WeakPolarHBondContact O-CB 3.48Å; V29-T80 PolarHBondContact O-N 3.29Å; V29-M81 HydrophobicContact CB-CB 4.14Å; V29-M81 HydrophobicContact CB-CE 4.07Å; V29-M81 HydrophobicContact CG1-CE 4.02Å; V29-M81 HydrophobicContact CG2-CB 4.35Å; V29-M81 HydrophobicContact CG2-CE 4.12Å; V29-M81 PolarHBondContact N-O 3Å; V29-M81 PolarHBondContact O-N 2.86Å; V29-M81 VanDerWaalsContact O-N 3.15Å; V29-I83 HydrophobicContact CG2-CD1 4.23Å
30M95.3Very high95.6Very high19 Ų1946.2 Ų46.29%0.09424%0.243CC..EExtended strand (participates in β ladder)trans-85.5172.9180-57.4-74.3-79.600111I28 T32 K34 I36 L74 N78 I79 T80I28-M30 HydrophobicContact CG2-SD 4.48Å; M30-T32 VanDerWaalsContact C-N 3.26Å; M30-K34 HydrophobicContact CB-CB 4.26Å; M30-K34 WeakPolarHBondContact CB-O 3.31Å; M30-K34 HydrophobicContact CG-CB 4.23Å; M30-K34 HydrophobicContact CG-CG 4.32Å; M30-K34 VanDerWaalsContact CG-O 3.31Å; M30-K34 WeakPolarHBondContact CG-O 3.46Å; M30-K34 PolarHBondContact N-O 2.95Å; M30-I36 HydrophobicContact CG-CD1 4.28Å; M30-I36 HydrophobicContact SD-CD1 4.23Å; M30-L74 HydrophobicContact CE-CD1 3.7Å; M30-L74 HydrophobicContact SD-CD1 3.84Å; M30-L74 HydrophobicContact SD-CD2 4.02Å; M30-L74 HydrophobicContact SD-CG 4.26Å; M30-N78 CarbonylContact C-O 3.55Å; M30-N78 VanDerWaalsContact CA-O 3.24Å; M30-N78 WeakPolarHBondContact CA-O 3.35Å; M30-N78 HydrophobicContact CE-CB 3.46Å; M30-N78 VanDerWaalsContact CE-CB 3.46Å; M30-N78 HydrophobicContact SD-CB 4.4Å; M30-I79 HydrophobicContact SD-CG1 4.34Å; M30-T80 PolarHBondContact O-OG1 3.05Å; M30-T80 VanDerWaalsContact O-OG1 3.1Å
31K94.1Very high95.8Very high144 Ų14443.5 Ų43.563%0.62623%0.234SC*.SBendtrans-68.2-26.8171.6-73.8178.1179.5170.10113.2N77 N78 T80K31-N77 VanDerWaalsContact CE-O 3.23Å; K31-N77 WeakPolarHBondContact CE-O 3.44Å; K31-N77 PolarHBondContact NZ-O 3.48Å; K31-N78 PolarHBondContact N-O 2.92Å; K31-T80 VanDerWaalsContact CA-OG1 3.26Å; K31-T80 WeakPolarHBondContact CA-OG1 3.36Å; K31-T80 WeakPolarHBondContact CG-OG1 3.35Å; K31-T80 PolarHBondContact N-OG1 2.86Å; K31-T80 VanDerWaalsContact N-OG1 3.13Å
32T89.3Confident95.9Very high89 Ų8943.9 Ų43.955%0.54624%0.239SC..SBendtrans-91.1178.2176.356.80000110M30 K34M30-T32 VanDerWaalsContact C-N 3.26Å; T32-K34 PolarHBondContact O-N 2.74Å
33D88.8Confident95.9Very high115 Ų11543.2 Ų43.262%0.61523%0.234SC*.SBendtrans-73.849.1174.3-49.1-56000112.4E58 I59D33-E58 WeakPolarHBondContact O-CA 3.45Å; D33-I59 HydrophobicContact CB-CB 3.83Å; D33-I59 HydrophobicContact CB-CD1 4.31Å; D33-I59 HydrophobicContact CB-CG1 4.23Å; D33-I59 PolarHBondContact O-N 2.82Å
34K93.6Very high95.9Very high48 Ų4843.5 Ų43.521%0.20922%0.222CC..EExtended strand (participates in β ladder)trans-129.5132.4-178.5-175.5174-65.6-160.70110.3M30 T32 I36 E56 F57 E58M30-K34 HydrophobicContact CB-CB 4.26Å; M30-K34 WeakPolarHBondContact CB-O 3.31Å; M30-K34 HydrophobicContact CG-CB 4.23Å; M30-K34 HydrophobicContact CG-CG 4.32Å; M30-K34 VanDerWaalsContact CG-O 3.31Å; M30-K34 WeakPolarHBondContact CG-O 3.46Å; M30-K34 PolarHBondContact N-O 2.95Å; T32-K34 PolarHBondContact O-N 2.74Å; K34-I36 HydrophobicContact CG-CG1 4.36Å; K34-E56 HydrophobicContact CD-CG 3.9Å; K34-E56 WeakPolarHBondContact CD-OE1 3.49Å; K34-E56 WeakPolarHBondContact CE-OE1 3.31Å; K34-E56 HydrophobicContact CG-CG 3.97Å; K34-E56 IonicContact NZ-OE1 2.71Å; K34-E56 PolarHBondContact NZ-OE1 3.36Å; K34-F57 CarbonylContact C-O 3.4Å; K34-F57 VanDerWaalsContact CA-O 3.27Å; K34-F57 WeakPolarHBondContact CA-O 3.12Å; K34-E58 IonicContact NZ-OE1 2.61Å
35E95.8Very high95.6Very high43 Ų4347.9 Ų47.920%0.20124%0.241CC..EExtended strand (participates in β ladder)trans-129.4142178.9-74177.9-114.300108.9H27 I28 V29 F57 P89H27-E35 IonicContact CE1-OE2 3.86Å; H27-E35 PolarHBondContact CE1-OE2 2.8Å; H27-E35 IonicContact NE2-OE2 2.92Å; H27-E35 PolarHBondContact NE2-OE2 2.79Å; I28-E35 CarbonylContact O-C 3.59Å; I28-E35 WeakPolarHBondContact O-CA 3.36Å; V29-E35 HydrophobicContact CB-CG 4.42Å; V29-E35 HydrophobicContact CG1-CG 4.13Å; V29-E35 HydrophobicContact CG2-CG 4.19Å; E35-F57 HydrophobicContact CB-CB 4.26Å; E35-F57 PolarHBondContact N-O 2.93Å; E35-F57 PolarHBondContact O-N 3.29Å; E35-P89 HydrophobicContact CB-CG 4.46Å; E35-P89 WeakPolarHBondContact OE2-CD 3.42Å; E35-P89 WeakPolarHBondContact OE2-CG 3.39Å
36I96.8Very high95.5Very high3 Ų349.1 Ų49.12%0.01525%0.25CS..EExtended strand (participates in β ladder)trans-132.4125.5-171.6-61.7173.7000108.5H27 I28 M30 K34 L51 V54 E56 I72 L74H27-I36 CarbonylContact C-O 3.52Å; H27-I36 WeakPolarHBondContact CA-O 3.33Å; I28-I36 HydrophobicContact CB-CB 4.4Å; I28-I36 PolarHBondContact N-O 2.77Å; I28-I36 PolarHBondContact O-N 2.9Å; M30-I36 HydrophobicContact CG-CD1 4.28Å; M30-I36 HydrophobicContact SD-CD1 4.23Å; K34-I36 HydrophobicContact CG-CG1 4.36Å; I36-L51 HydrophobicContact CG2-CD1 3.72Å; I36-V54 HydrophobicContact CG2-CG1 3.45Å; I36-V54 VanDerWaalsContact CG2-CG1 3.45Å; I36-E56 HydrophobicContact CG1-CG 4.29Å; I36-I72 HydrophobicContact CD1-CD1 4.29Å; I36-I72 HydrophobicContact CG2-CD1 4.12Å; I36-L74 HydrophobicContact CD1-CD1 3.44Å; I36-L74 VanDerWaalsContact CD1-CD1 3.44Å; I36-L74 HydrophobicContact CD1-CD2 3.99Å; I36-L74 HydrophobicContact CD1-CG 4.36Å
37V97.4Very high95.4Very high9 Ų950.8 Ų50.86%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-115.5129.9173.6179.60000108.6R25 I26 H27 V54 T55 F57 G88R25-V37 HydrophobicContact CG-CG1 3.84Å; I26-V37 WeakPolarHBondContact O-CA 3.39Å; H27-V37 HydrophobicContact CB-CG2 4.01Å; V37-V54 CarbonylContact O-C 3.54Å; V37-V54 WeakPolarHBondContact O-CA 3.39Å; V37-T55 PolarHBondContact N-O 2.85Å; V37-T55 PolarHBondContact O-N 3.12Å; V37-F57 HydrophobicContact CB-CE2 4.26Å; V37-F57 HydrophobicContact CG2-CD2 4.39Å; V37-F57 HydrophobicContact CG2-CE2 3.74Å; V37-G88 VanDerWaalsContact CG2-CA 3.43Å
38G97.5Very high95.3Very high0 Ų052.1 Ų52.10%027%0.268CS..EExtended strand (participates in β ladder)trans-166.6176.3178.600000111.7R25 I26 E52R25-G38 CarbonylContact C-O 3.6Å; R25-G38 WeakPolarHBondContact CA-O 3.46Å; I26-G38 PolarHBondContact N-O 2.99Å; I26-G38 PolarHBondContact O-N 3.43Å; G38-E52 WeakPolarHBondContact CA-O 3.5Å
39T97.8Very high95.3Very high18 Ų1852.1 Ų52.111%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-86.6125.6172.1-57.90000109.1S24 L41 L51 E52S24-T39 WeakPolarHBondContact O-CA 3.4Å; T39-L41 PolarHBondContact O-N 2.99Å; T39-L51 VanDerWaalsContact O-CA 3.27Å; T39-L51 WeakPolarHBondContact O-CA 3.24Å; T39-E52 HydrophobicContact CG2-CG 4.22Å; T39-E52 PolarHBondContact N-O 2.76Å; T39-E52 PolarHBondContact O-N 3.44Å
40L98.1Very high95.5Very high0 Ų053.3 Ų53.30%028%0.275CS..EExtended strand (participates in β ladder)trans-74.9115.9179.3178.863000110.8V18 C21 I22 G23 S24 I26 G42 M49 L51V18-L40 HydrophobicContact CG1-CD2 3.96Å; C21-L40 HydrophobicContact CB-CD2 4.11Å; I22-L40 CarbonylContact C-O 3.59Å; I22-L40 WeakPolarHBondContact CA-O 3.33Å; I22-L40 HydrophobicContact CG1-CD2 4.06Å; I22-L40 HydrophobicContact CG1-CG 4.28Å; G23-L40 PolarHBondContact N-O 2.94Å; S24-L40 PolarHBondContact O-N 3.36Å; I26-L40 HydrophobicContact CD1-CD2 4.48Å; I26-L40 HydrophobicContact CG2-CB 4.03Å; L40-G42 WeakPolarHBondContact CD1-O 3.49Å; L40-M49 HydrophobicContact CD1-CB 4.05Å; L40-M49 HydrophobicContact CD1-CG 4.23Å; L40-M49 HydrophobicContact CD1-SD 3.96Å; L40-L51 HydrophobicContact CB-CD2 4.13Å; L40-L51 HydrophobicContact CD1-CD2 3.76Å
41L98.1Very high95.6Very high65 Ų6552.4 Ų52.434%0.3427%0.271SS..EExtended strand (participates in β ladder)trans-87.9-30.1175.2-68.6-175.9000112.7T39 V50 E52 Q71T39-L41 PolarHBondContact O-N 2.99Å; L41-V50 HydrophobicContact CB-CB 4.18Å; L41-V50 HydrophobicContact CB-CG1 4.08Å; L41-V50 WeakPolarHBondContact CB-O 3.46Å; L41-V50 HydrophobicContact CD1-CG1 4Å; L41-V50 PolarHBondContact N-O 3.15Å; L41-E52 HydrophobicContact CD1-CB 3.93Å; L41-E52 HydrophobicContact CD1-CG 4.12Å; L41-E52 VanDerWaalsContact CD2-CD 3.46Å; L41-E52 HydrophobicContact CD2-CG 3.94Å; L41-E52 HydrophobicContact CG-CB 4.24Å; L41-E52 HydrophobicContact CG-CG 3.96Å; L41-Q71 VanDerWaalsContact CD1-NE2 3.32Å
42G97.1Very high95.8Very high16 Ų1648.9 Ų48.917%0.16526%0.256CS..EExtended strand (participates in β ladder)trans169.5170.8178.700000111.9L40 M49 V50L40-G42 WeakPolarHBondContact CD1-O 3.49Å; G42-M49 WeakPolarHBondContact O-CA 3.47Å; G42-V50 PolarHBondContact O-N 3.07Å
43F97.5Very high96.2Very high56 Ų5649.4 Ų49.425%0.24626%0.256CS..EExtended strand (participates in β ladder)trans-145.8165.1177.469.7-76.7000110.7L15 V18 D19 I22 N48 M49L15-F43 HydrophobicContact CD2-CE2 4.11Å; V18-F43 HydrophobicContact CB-CE1 4.2Å; V18-F43 HydrophobicContact CB-CZ 4.24Å; V18-F43 HydrophobicContact CG1-CD1 3.65Å; V18-F43 HydrophobicContact CG1-CD2 4.32Å; V18-F43 HydrophobicContact CG1-CE1 3.73Å; V18-F43 HydrophobicContact CG1-CE2 4.4Å; V18-F43 HydrophobicContact CG1-CG 3.98Å; V18-F43 HydrophobicContact CG1-CZ 4.11Å; D19-F43 HydrophobicContact CB-CE1 4.23Å; D19-F43 HydrophobicContact CB-CZ 4.38Å; I22-F43 HydrophobicContact CD1-CD1 4.38Å; I22-F43 HydrophobicContact CD1-CE1 4.18Å; F43-N48 CarbonylContact C-O 3.57Å; F43-N48 WeakPolarHBondContact CA-O 3.5Å; F43-N48 WeakPolarHBondContact CB-O 3.31Å; F43-M49 HydrophobicContact CB-CG 3.99Å
44D95.3Very high96.6Very high62 Ų6244 Ų4433%0.33223%0.227SC..  trans-110.3179.9174.8717.6000112.6F46 V47 N48D44-F46 PolarHBondContact O-N 3.1Å; D44-F46 VanDerWaalsContact O-N 3.1Å; D44-F46 VanDerWaalsContact OD1-C 3.3Å; D44-F46 WeakPolarHBondContact OD1-CA 3.16Å; D44-F46 WeakPolarHBondContact OD1-CB 3.24Å; D44-F46 PolarHBondContact OD1-N 3.13Å; D44-V47 WeakPolarHBondContact O-CA 3.47Å; D44-V47 PolarHBondContact O-N 3.24Å; D44-V47 PolarHBondContact OD1-N 3.27Å; D44-N48 PolarHBondContact N-O 2.83Å; D44-N48 VanDerWaalsContact N-O 3.12Å; D44-N48 WeakPolarHBondContact OD1-CB 3.23Å; D44-N48 PolarHBondContact OD1-N 3.39Å; D44-N48 PolarHBondContact OD1-ND2 3.11Å; D44-N48 PolarHBondContact OD2-ND2 2.81Å
45D92.4Very high96.7Very high151 Ų15143.2 Ų43.281%0.80723%0.226SC*.THydrogen-bonded Turntrans-61.3-19.5179.1-66.6-27.9000113.7V47D45-V47 VanDerWaalsContact C-N 3.34Å
46F93.3Very high96.7Very high158 Ų15842.4 Ų42.469%0.69322%0.222SC*.THydrogen-bonded Turntrans-94.14.7175.8-58.3-73.9000112.6D44 N48D44-F46 PolarHBondContact O-N 3.1Å; D44-F46 VanDerWaalsContact O-N 3.1Å; D44-F46 VanDerWaalsContact OD1-C 3.3Å; D44-F46 WeakPolarHBondContact OD1-CA 3.16Å; D44-F46 WeakPolarHBondContact OD1-CB 3.24Å; D44-F46 PolarHBondContact OD1-N 3.13Å; F46-N48 PolarHBondContact O-N 3.24Å
47V95Very high96.6Very high35 Ų3543.4 Ų43.421%0.21223%0.227CC..  trans61.826.9-178.4-161.80000111.6L15 D44 D45 M49 G76 I79 L82L15-V47 HydrophobicContact CD2-CG2 4.25Å; D44-V47 WeakPolarHBondContact O-CA 3.47Å; D44-V47 PolarHBondContact O-N 3.24Å; D44-V47 PolarHBondContact OD1-N 3.27Å; D45-V47 VanDerWaalsContact C-N 3.34Å; V47-M49 HydrophobicContact CG1-CE 3.42Å; V47-M49 VanDerWaalsContact CG1-CE 3.42Å; V47-G76 WeakPolarHBondContact O-CA 3.41Å; V47-I79 HydrophobicContact CG1-CD1 4.34Å; V47-I79 WeakPolarHBondContact O-CD1 3.45Å; V47-L82 HydrophobicContact CG1-CD1 4.34Å
48N96.2Very high96.4Very high39 Ų3945.8 Ų45.821%0.20924%0.237CC..  trans-68.9133.3161.4-57.9-57.3000107.8F43 D44 F46 L73 L74 N75 G76F43-N48 CarbonylContact C-O 3.57Å; F43-N48 WeakPolarHBondContact CA-O 3.5Å; F43-N48 WeakPolarHBondContact CB-O 3.31Å; D44-N48 PolarHBondContact N-O 2.83Å; D44-N48 VanDerWaalsContact N-O 3.12Å; D44-N48 WeakPolarHBondContact OD1-CB 3.23Å; D44-N48 PolarHBondContact OD1-N 3.39Å; D44-N48 PolarHBondContact OD1-ND2 3.11Å; D44-N48 PolarHBondContact OD2-ND2 2.81Å; F46-N48 PolarHBondContact O-N 3.24Å; N48-L73 HydrophobicContact CB-CD1 4.42Å; N48-L74 CarbonylContact C-O 3.57Å; N48-L74 VanDerWaalsContact CA-O 3.23Å; N48-L74 WeakPolarHBondContact CA-O 3.32Å; N48-N75 WeakPolarHBondContact OD1-CA 3.42Å; N48-G76 PolarHBondContact OD1-N 3.12Å
49M97.4Very high96Very high0 Ų050.7 Ų50.70%026%0.262CS..EExtended strand (participates in β ladder)trans-120.4136.5-170.9-60.7-165.3169.800111.7V18 I28 L40 G42 F43 V47 L51 L73 L74 I79 L82V18-M49 HydrophobicContact CG1-CE 3.81Å; I28-M49 HydrophobicContact CD1-SD 3.49Å; I28-M49 WeakPolarHBondContact CD1-SD 3.27Å; L40-M49 HydrophobicContact CD1-CB 4.05Å; L40-M49 HydrophobicContact CD1-CG 4.23Å; L40-M49 HydrophobicContact CD1-SD 3.96Å; G42-M49 WeakPolarHBondContact O-CA 3.47Å; F43-M49 HydrophobicContact CB-CG 3.99Å; V47-M49 HydrophobicContact CG1-CE 3.42Å; V47-M49 VanDerWaalsContact CG1-CE 3.42Å; M49-L51 HydrophobicContact CB-CD2 4.4Å; M49-L73 CarbonylContact O-C 3.51Å; M49-L73 WeakPolarHBondContact O-CA 3.45Å; M49-L74 HydrophobicContact CB-CB 4.38Å; M49-L74 PolarHBondContact N-O 3.29Å; M49-L74 PolarHBondContact O-N 2.94Å; M49-I79 HydrophobicContact CE-CD1 4.38Å; M49-I79 HydrophobicContact CG-CD1 4.16Å; M49-I79 HydrophobicContact SD-CD1 4.18Å; M49-L82 HydrophobicContact CE-CD1 3.43Å; M49-L82 VanDerWaalsContact CE-CD1 3.43Å; M49-L82 HydrophobicContact CE-CD2 3.44Å; M49-L82 VanDerWaalsContact CE-CD2 3.44Å; M49-L82 HydrophobicContact CE-CG 4.08Å; M49-L82 HydrophobicContact SD-CD2 3.81Å
50V98Very high95.5Very high50 Ų5051.7 Ų51.730%0.30327%0.269SS..EExtended strand (participates in β ladder)trans-95.7123.7167.5-174.20000107.6L41 G42 Q71 I72 L73L41-V50 HydrophobicContact CB-CB 4.18Å; L41-V50 HydrophobicContact CB-CG1 4.08Å; L41-V50 WeakPolarHBondContact CB-O 3.46Å; L41-V50 HydrophobicContact CD1-CG1 4Å; L41-V50 PolarHBondContact N-O 3.15Å; G42-V50 PolarHBondContact O-N 3.07Å; V50-Q71 HydrophobicContact CG1-CG 4.26Å; V50-I72 WeakPolarHBondContact CA-O 3.34Å; V50-L73 HydrophobicContact CG2-CD1 3.89Å
51L98Very high94.9Very high0 Ų058.5 Ų58.50%031%0.312CS..EExtended strand (participates in β ladder)trans-123.9147.6178.9-56.1178.6000110.7I26 I28 I36 T39 L40 M49 V54 Q71 I72I26-L51 HydrophobicContact CG2-CD2 3.87Å; I28-L51 HydrophobicContact CD1-CD1 3.79Å; I28-L51 HydrophobicContact CD1-CD2 4.31Å; I36-L51 HydrophobicContact CG2-CD1 3.72Å; T39-L51 VanDerWaalsContact O-CA 3.27Å; T39-L51 WeakPolarHBondContact O-CA 3.24Å; L40-L51 HydrophobicContact CB-CD2 4.13Å; L40-L51 HydrophobicContact CD1-CD2 3.76Å; M49-L51 HydrophobicContact CB-CD2 4.4Å; L51-V54 HydrophobicContact CB-CG2 3.54Å; L51-Q71 CarbonylContact O-C 3.56Å; L51-Q71 VanDerWaalsContact O-CA 3.25Å; L51-Q71 WeakPolarHBondContact O-CA 3.36Å; L51-Q71 WeakPolarHBondContact O-CG 3.23Å; L51-I72 HydrophobicContact CB-CG1 4.12Å; L51-I72 HydrophobicContact CD1-CD1 4.34Å; L51-I72 PolarHBondContact N-O 2.71Å; L51-I72 PolarHBondContact O-N 3.1Å
52E98.2Very high94.3Very high70 Ų7064.7 Ų64.733%0.32734%0.34SS..EExtended strand (participates in β ladder)trans-120.8166.1169.668.5-179.1-174.100112.2G38 T39 L41 V54 D70G38-E52 WeakPolarHBondContact CA-O 3.5Å; T39-E52 HydrophobicContact CG2-CG 4.22Å; T39-E52 PolarHBondContact N-O 2.76Å; T39-E52 PolarHBondContact O-N 3.44Å; L41-E52 HydrophobicContact CD1-CB 3.93Å; L41-E52 HydrophobicContact CD1-CG 4.12Å; L41-E52 VanDerWaalsContact CD2-CD 3.46Å; L41-E52 HydrophobicContact CD2-CG 3.94Å; L41-E52 HydrophobicContact CG-CB 4.24Å; L41-E52 HydrophobicContact CG-CG 3.96Å; E52-V54 VanDerWaalsContact C-N 3.29Å; E52-V54 PolarHBondContact O-N 2.82Å; E52-D70 CarbonylContact C-O 3.57Å; E52-D70 VanDerWaalsContact CA-O 3.23Å; E52-D70 WeakPolarHBondContact CA-O 3.48Å
53D96.9Very high93.8Very high100 Ų10065.6 Ų65.654%0.53535%0.349SS..EExtended strand (participates in β ladder)trans50.149.4-178.5-70.1-37.7000112.2D70D53-D70 PolarHBondContact N-O 3.46Å
54V97.3Very high93.3Very high1 Ų167.1 Ų67.11%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-86.6136.1-165.6-1770000111.5I36 V37 L51 E52 K68 L69 I72I36-V54 HydrophobicContact CG2-CG1 3.45Å; I36-V54 VanDerWaalsContact CG2-CG1 3.45Å; V37-V54 CarbonylContact O-C 3.54Å; V37-V54 WeakPolarHBondContact O-CA 3.39Å; L51-V54 HydrophobicContact CB-CG2 3.54Å; E52-V54 VanDerWaalsContact C-N 3.29Å; E52-V54 PolarHBondContact O-N 2.82Å; V54-K68 CarbonylContact O-C 3.56Å; V54-K68 VanDerWaalsContact O-CA 3.29Å; V54-K68 WeakPolarHBondContact O-CA 3.49Å; V54-L69 HydrophobicContact CB-CB 4.33Å; V54-L69 PolarHBondContact N-O 3.22Å; V54-L69 PolarHBondContact O-N 3.13Å; V54-I72 HydrophobicContact CG1-CD1 3.99Å; V54-I72 HydrophobicContact CG2-CD1 4.43Å; V54-I72 HydrophobicContact CG2-CG1 4.13Å
55T96.7Very high93.2Very high31 Ų3171.3 Ų71.319%0.1937%0.365CS..EExtended strand (participates in β ladder)trans-117.3116.4166.1-55.10000108.9V37 F57 I66 T67V37-T55 PolarHBondContact N-O 2.85Å; V37-T55 PolarHBondContact O-N 3.12Å; T55-F57 HydrophobicContact CG2-CD1 4.45Å; T55-F57 HydrophobicContact CG2-CD2 4.5Å; T55-F57 HydrophobicContact CG2-CE1 3.8Å; T55-F57 HydrophobicContact CG2-CE2 3.81Å; T55-F57 HydrophobicContact CG2-CZ 3.44Å; T55-F57 VanDerWaalsContact CG2-CZ 3.44Å; T55-I66 HydrophobicContact CG2-CG2 3.58Å; T55-T67 WeakPolarHBondContact CA-O 3.18Å
56E95.6Very high93.3Very high27 Ų2768.6 Ų68.613%0.12635%0.349CS..EExtended strand (participates in β ladder)trans-97.2131.8175.6-175.9-176.7141.100109.8K34 I36 I66 T67K34-E56 HydrophobicContact CD-CG 3.9Å; K34-E56 WeakPolarHBondContact CD-OE1 3.49Å; K34-E56 WeakPolarHBondContact CE-OE1 3.31Å; K34-E56 HydrophobicContact CG-CG 3.97Å; K34-E56 IonicContact NZ-OE1 2.71Å; K34-E56 PolarHBondContact NZ-OE1 3.36Å; I36-E56 HydrophobicContact CG1-CG 4.29Å; E56-I66 CarbonylContact O-C 3.53Å; E56-I66 WeakPolarHBondContact O-CA 3.45Å; E56-T67 PolarHBondContact N-O 3.31Å; E56-T67 PolarHBondContact O-N 2.91Å
57F94.9Very high93.4Very high23 Ų2363 Ų6310%0.10133%0.328CS..EExtended strand (participates in β ladder)trans-114.7122.6175.1-55.9-78.6000108.6K34 E35 V37 T55 R64 R65 I66K34-F57 CarbonylContact C-O 3.4Å; K34-F57 VanDerWaalsContact CA-O 3.27Å; K34-F57 WeakPolarHBondContact CA-O 3.12Å; E35-F57 HydrophobicContact CB-CB 4.26Å; E35-F57 PolarHBondContact N-O 2.93Å; E35-F57 PolarHBondContact O-N 3.29Å; V37-F57 HydrophobicContact CB-CE2 4.26Å; V37-F57 HydrophobicContact CG2-CD2 4.39Å; V37-F57 HydrophobicContact CG2-CE2 3.74Å; T55-F57 HydrophobicContact CG2-CD1 4.45Å; T55-F57 HydrophobicContact CG2-CD2 4.5Å; T55-F57 HydrophobicContact CG2-CE1 3.8Å; T55-F57 HydrophobicContact CG2-CE2 3.81Å; T55-F57 HydrophobicContact CG2-CZ 3.44Å; T55-F57 VanDerWaalsContact CG2-CZ 3.44Å; F57-R64 VanDerWaalsContact CD1-NE 3.27Å; F57-R65 WeakPolarHBondContact CA-O 3.46Å; F57-I66 HydrophobicContact CD1-CD1 4.15Å; F57-I66 HydrophobicContact CD1-CG1 3.9Å; F57-I66 HydrophobicContact CD1-CG2 4.17Å; F57-I66 HydrophobicContact CE1-CD1 3.99Å; F57-I66 HydrophobicContact CE1-CG1 4.18Å; F57-I66 HydrophobicContact CE1-CG2 4.01Å
58E93.6Very high93.4Very high60 Ų6069.5 Ų69.528%0.2835%0.353SS..EExtended strand (participates in β ladder)trans-124.8129.3177.9-176.6174.8-137.600109D33 K34 T60 R64 R65D33-E58 WeakPolarHBondContact O-CA 3.45Å; K34-E58 IonicContact NZ-OE1 2.61Å; E58-T60 HydrophobicContact CG-CG2 4.14Å; E58-R64 WeakPolarHBondContact O-CA 3.26Å; E58-R65 HydrophobicContact CB-CB 4.39Å; E58-R65 PolarHBondContact N-O 3.27Å; E58-R65 PolarHBondContact O-N 3.42Å
59I88.4Confident93.5Very high103 Ų10370.7 Ų70.753%0.52836%0.359SS..EExtended strand (participates in β ladder)trans-86.2117.2173.4-51.2178.4000107.3D33D33-I59 HydrophobicContact CB-CB 3.83Å; D33-I59 HydrophobicContact CB-CD1 4.31Å; D33-I59 HydrophobicContact CB-CG1 4.23Å; D33-I59 PolarHBondContact O-N 2.82Å
60T87.5Confident93.5Very high39 Ų3977.6 Ų77.624%0.23940%0.396CS..EExtended strand (participates in β ladder)trans-113.1161175.373.80000109.6E58 E62 G63 R65E58-T60 HydrophobicContact CG-CG2 4.14Å; T60-E62 PolarHBondContact O-N 2.89Å; T60-E62 VanDerWaalsContact O-N 3.07Å; T60-E62 PolarHBondContact OG1-N 2.96Å; T60-G63 WeakPolarHBondContact CA-O 3.43Å; T60-G63 WeakPolarHBondContact CB-O 3.32Å; T60-G63 PolarHBondContact N-O 3.15Å; T60-G63 PolarHBondContact O-N 2.93Å; T60-G63 VanDerWaalsContact O-O 3.12Å; T60-G63 PolarHBondContact OG1-N 3.19Å; T60-G63 PolarHBondContact OG1-O 2.99Å; T60-R65 HydrophobicContact CG2-CB 4.24Å
61P86.5Confident93.4Very high142 Ų14281.2 Ų81.292%0.92241%0.41SS*.THydrogen-bonded Turntrans-57.1-22.6173.5-24.634.9000113.8
62E85.3Confident93.4Very high195 Ų19582.7 Ų82.791%0.91142%0.418SS*.THydrogen-bonded Turntrans-91.5-5.4-178.7-66156.5-162.300112.6T60T60-E62 PolarHBondContact O-N 2.89Å; T60-E62 VanDerWaalsContact O-N 3.07Å; T60-E62 PolarHBondContact OG1-N 2.96Å
63G85.6Confident93.3Very high36 Ų3685.7 Ų85.737%0.37144%0.435SS..EExtended strand (participates in β ladder)trans128.3-166.2-178.600000113.1T60T60-G63 WeakPolarHBondContact CA-O 3.43Å; T60-G63 WeakPolarHBondContact CB-O 3.32Å; T60-G63 PolarHBondContact N-O 3.15Å; T60-G63 PolarHBondContact O-N 2.93Å; T60-G63 VanDerWaalsContact O-O 3.12Å; T60-G63 PolarHBondContact OG1-N 3.19Å; T60-G63 PolarHBondContact OG1-O 2.99Å
64R87.8Confident93.3Very high87 Ų8781.6 Ų81.633%0.32841%0.413SS..EExtended strand (participates in β ladder)trans-85.9121.7179.7-173.3170.9173.9-175.8-7.9110.2F57 E58 I66 P89F57-R64 VanDerWaalsContact CD1-NE 3.27Å; E58-R64 WeakPolarHBondContact O-CA 3.26Å; R64-I66 HydrophobicContact CG-CG1 4.4Å; R64-P89 PolarHBondContact NH1-O 2.72Å; R64-P89 VanDerWaalsContact NH2-CD 3.35Å; R64-P89 PolarHBondContact NH2-O 3.1Å
65R92.1Very high93.2Very high150 Ų15085 Ų8557%0.56643%0.432SS*.EExtended strand (participates in β ladder)trans-94130.9171.8-176.2178.4-179.6174.12109.3F57 E58 T60F57-R65 WeakPolarHBondContact CA-O 3.46Å; E58-R65 HydrophobicContact CB-CB 4.39Å; E58-R65 PolarHBondContact N-O 3.27Å; E58-R65 PolarHBondContact O-N 3.42Å; T60-R65 HydrophobicContact CG2-CB 4.24Å
66I94.2Very high93Very high95 Ų9584.1 Ų84.149%0.48743%0.428SS..EExtended strand (participates in β ladder)trans-117124.5177.3-50.5-176.5000108.5T55 E56 F57 R64T55-I66 HydrophobicContact CG2-CG2 3.58Å; E56-I66 CarbonylContact O-C 3.53Å; E56-I66 WeakPolarHBondContact O-CA 3.45Å; F57-I66 HydrophobicContact CD1-CD1 4.15Å; F57-I66 HydrophobicContact CD1-CG1 3.9Å; F57-I66 HydrophobicContact CD1-CG2 4.17Å; F57-I66 HydrophobicContact CE1-CD1 3.99Å; F57-I66 HydrophobicContact CE1-CG1 4.18Å; F57-I66 HydrophobicContact CE1-CG2 4.01Å; R64-I66 HydrophobicContact CG-CG1 4.4Å
67T95.4Very high93Very high40 Ų4088.3 Ų88.325%0.24545%0.451CS..EExtended strand (participates in β ladder)trans-125133.3178.3-51.90000109.4T55 E56 L69T55-T67 WeakPolarHBondContact CA-O 3.18Å; E56-T67 PolarHBondContact N-O 3.31Å; E56-T67 PolarHBondContact O-N 2.91Å; T67-L69 HydrophobicContact CG2-CD2 4.13Å; T67-L69 HydrophobicContact CG2-CG 4.22Å
68K96.5Very high92.9Very high171 Ų17190.7 Ų90.774%0.74347%0.465SS*.EExtended strand (participates in β ladder)trans-102.4136.3173-67.9-170.6175.7-172.40110.2V54V54-K68 CarbonylContact O-C 3.56Å; V54-K68 VanDerWaalsContact O-CA 3.29Å; V54-K68 WeakPolarHBondContact O-CA 3.49Å
69L97.1Very high93Very high64 Ų6489 Ų8934%0.33546%0.458SS..EExtended strand (participates in β ladder)trans-137.3139.1-177.5-60.3170000108.8V54 T67 I72V54-L69 HydrophobicContact CB-CB 4.33Å; V54-L69 PolarHBondContact N-O 3.22Å; V54-L69 PolarHBondContact O-N 3.13Å; T67-L69 HydrophobicContact CG2-CD2 4.13Å; T67-L69 HydrophobicContact CG2-CG 4.22Å; L69-I72 HydrophobicContact CB-CG2 3.92Å; L69-I72 HydrophobicContact CD1-CG2 3.61Å; L69-I72 HydrophobicContact CG-CG2 4.39Å
70D97Very high93.4Very high145 Ų14587.9 Ų87.978%0.77546%0.456SS*.EExtended strand (participates in β ladder)trans-70-46.2-176.8-61.8-28.2000111.6E52 D53E52-D70 CarbonylContact C-O 3.57Å; E52-D70 VanDerWaalsContact CA-O 3.23Å; E52-D70 WeakPolarHBondContact CA-O 3.48Å; D53-D70 PolarHBondContact N-O 3.46Å
71Q96.6Very high93.8Very high126 Ų12691 Ų9159%0.58947%0.469SS*.EExtended strand (participates in β ladder)trans-151.1142178.8-171176.969.500110.8L41 V50 L51L41-Q71 VanDerWaalsContact CD1-NE2 3.32Å; V50-Q71 HydrophobicContact CG1-CG 4.26Å; L51-Q71 CarbonylContact O-C 3.56Å; L51-Q71 VanDerWaalsContact O-CA 3.25Å; L51-Q71 WeakPolarHBondContact O-CA 3.36Å; L51-Q71 WeakPolarHBondContact O-CG 3.23Å
72I97.6Very high94.2Very high32 Ų3286.7 Ų86.716%0.16444%0.438CS..EExtended strand (participates in β ladder)trans-136.3155.7174.671.7174.5000111.7I36 V50 L51 V54 L69 L74I36-I72 HydrophobicContact CD1-CD1 4.29Å; I36-I72 HydrophobicContact CG2-CD1 4.12Å; V50-I72 WeakPolarHBondContact CA-O 3.34Å; L51-I72 HydrophobicContact CB-CG1 4.12Å; L51-I72 HydrophobicContact CD1-CD1 4.34Å; L51-I72 PolarHBondContact N-O 2.71Å; L51-I72 PolarHBondContact O-N 3.1Å; V54-I72 HydrophobicContact CG1-CD1 3.99Å; V54-I72 HydrophobicContact CG2-CD1 4.43Å; V54-I72 HydrophobicContact CG2-CG1 4.13Å; L69-I72 HydrophobicContact CB-CG2 3.92Å; L69-I72 HydrophobicContact CD1-CG2 3.61Å; L69-I72 HydrophobicContact CG-CG2 4.39Å; I72-L74 HydrophobicContact CD1-CB 4.48Å
73L97.3Very high94.7Very high133 Ų13380.7 Ų80.770%0.69641%0.412SS*.EExtended strand (participates in β ladder)trans-104117159.6177.766.2000108.4N48 M49 V50N48-L73 HydrophobicContact CB-CD1 4.42Å; M49-L73 CarbonylContact O-C 3.51Å; M49-L73 WeakPolarHBondContact O-CA 3.45Å; V50-L73 HydrophobicContact CG2-CD1 3.89Å
74L96.2Very high95.2Very high13 Ų1382 Ų827%0.06841%0.413CS..EExtended strand (participates in β ladder)trans-96.3133.4-179.6-170.363.3000110.9I28 M30 I36 N48 M49 I72 I79I28-L74 HydrophobicContact CB-CD2 4.39Å; I28-L74 HydrophobicContact CD1-CD2 3.7Å; I28-L74 HydrophobicContact CG2-CD2 3.85Å; M30-L74 HydrophobicContact CE-CD1 3.7Å; M30-L74 HydrophobicContact SD-CD1 3.84Å; M30-L74 HydrophobicContact SD-CD2 4.02Å; M30-L74 HydrophobicContact SD-CG 4.26Å; I36-L74 HydrophobicContact CD1-CD1 3.44Å; I36-L74 VanDerWaalsContact CD1-CD1 3.44Å; I36-L74 HydrophobicContact CD1-CD2 3.99Å; I36-L74 HydrophobicContact CD1-CG 4.36Å; N48-L74 CarbonylContact C-O 3.57Å; N48-L74 VanDerWaalsContact CA-O 3.23Å; N48-L74 WeakPolarHBondContact CA-O 3.32Å; M49-L74 HydrophobicContact CB-CB 4.38Å; M49-L74 PolarHBondContact N-O 3.29Å; M49-L74 PolarHBondContact O-N 2.94Å; I72-L74 HydrophobicContact CD1-CB 4.48Å; L74-I79 HydrophobicContact CD2-CD1 3.96Å; L74-I79 HydrophobicContact CD2-CG1 4.07Å; L74-I79 HydrophobicContact CG-CD1 4.42Å; L74-I79 HydrophobicContact CG-CG1 4.48Å
75N94.9Very high95.4Very high74 Ų7480.5 Ų80.540%0.39643%0.425SS..PPolyproline II helixtrans-79.1119.8178.3-172.8-42.2000111.2N48 N77 N78N48-N75 WeakPolarHBondContact OD1-CA 3.42Å; N75-N77 PolarHBondContact O-N 2.99Å; N75-N77 VanDerWaalsContact OD1-CB 3.24Å; N75-N77 WeakPolarHBondContact OD1-CB 3.4Å; N75-N77 PolarHBondContact OD1-N 3.3Å; N75-N77 PolarHBondContact OD1-ND2 3.28Å; N75-N78 PolarHBondContact O-N 3Å
76G93.6Very high95.2Very high12 Ų1273.9 Ų73.912%0.12440%0.404CS..G310 helixtrans-62.3-25.8-177.300000114.5V47 N48 N78 I79V47-G76 WeakPolarHBondContact O-CA 3.41Å; N48-G76 PolarHBondContact OD1-N 3.12Å; G76-N78 PolarHBondContact O-N 2.81Å; G76-N78 VanDerWaalsContact O-N 3.15Å; G76-I79 PolarHBondContact O-N 2.91Å
77N95.1Very high94.9Very high114 Ų11477.8 Ų77.861%0.6142%0.42SS*.G310 helixtrans-63.8-23.2179.6-70-40.7000113.4K31 N75K31-N77 VanDerWaalsContact CE-O 3.23Å; K31-N77 WeakPolarHBondContact CE-O 3.44Å; K31-N77 PolarHBondContact NZ-O 3.48Å; N75-N77 PolarHBondContact O-N 2.99Å; N75-N77 VanDerWaalsContact OD1-CB 3.24Å; N75-N77 WeakPolarHBondContact OD1-CB 3.4Å; N75-N77 PolarHBondContact OD1-N 3.3Å; N75-N77 PolarHBondContact OD1-ND2 3.28Å
78N93.9Very high94.5Very high73 Ų7376.7 Ų76.739%0.3942%0.417SS..G310 helixtrans-100.6-0.8-177.8-67.9-34.8000113.3M30 K31 N75 G76M30-N78 CarbonylContact C-O 3.55Å; M30-N78 VanDerWaalsContact CA-O 3.24Å; M30-N78 WeakPolarHBondContact CA-O 3.35Å; M30-N78 HydrophobicContact CE-CB 3.46Å; M30-N78 VanDerWaalsContact CE-CB 3.46Å; M30-N78 HydrophobicContact SD-CB 4.4Å; K31-N78 PolarHBondContact N-O 2.92Å; N75-N78 PolarHBondContact O-N 3Å; G76-N78 PolarHBondContact O-N 2.81Å; G76-N78 VanDerWaalsContact O-N 3.15Å
79I95.5Very high93.9Very high26 Ų2670.3 Ų70.313%0.13339%0.393CS..EExtended strand (participates in β ladder)trans-77132.4177.9-62.7179.7000109.4I28 M30 V47 M49 L74 G76 L82I28-I79 HydrophobicContact CG2-CB 4.46Å; I28-I79 HydrophobicContact CG2-CD1 4.24Å; I28-I79 HydrophobicContact CG2-CG1 3.97Å; I28-I79 HydrophobicContact CG2-CG2 3.93Å; M30-I79 HydrophobicContact SD-CG1 4.34Å; V47-I79 HydrophobicContact CG1-CD1 4.34Å; V47-I79 WeakPolarHBondContact O-CD1 3.45Å; M49-I79 HydrophobicContact CE-CD1 4.38Å; M49-I79 HydrophobicContact CG-CD1 4.16Å; M49-I79 HydrophobicContact SD-CD1 4.18Å; L74-I79 HydrophobicContact CD2-CD1 3.96Å; L74-I79 HydrophobicContact CD2-CG1 4.07Å; L74-I79 HydrophobicContact CG-CD1 4.42Å; L74-I79 HydrophobicContact CG-CG1 4.48Å; G76-I79 PolarHBondContact O-N 2.91Å; I79-L82 HydrophobicContact CG2-CD2 3.86Å; I79-L82 HydrophobicContact CG2-CG 4.03Å
80T95.9Very high92.8Very high78 Ų7876.4 Ų76.448%0.47942%0.419SS..EExtended strand (participates in β ladder)trans-107.9-46175.6-54.50000111.3V29 M30 K31V29-T80 WeakPolarHBondContact O-CA 3.31Å; V29-T80 WeakPolarHBondContact O-CB 3.48Å; V29-T80 PolarHBondContact O-N 3.29Å; M30-T80 PolarHBondContact O-OG1 3.05Å; M30-T80 VanDerWaalsContact O-OG1 3.1Å; K31-T80 VanDerWaalsContact CA-OG1 3.26Å; K31-T80 WeakPolarHBondContact CA-OG1 3.36Å; K31-T80 WeakPolarHBondContact CG-OG1 3.35Å; K31-T80 PolarHBondContact N-OG1 2.86Å; K31-T80 VanDerWaalsContact N-OG1 3.13Å
81M95.3Very high90.9Very high104 Ų10478.9 Ų78.951%0.51244%0.44SS..EExtended strand (participates in β ladder)trans-140.9151.5-179.8-66.9179.9-70.600111.9I28 V29I28-M81 WeakPolarHBondContact CA-O 3.45Å; V29-M81 HydrophobicContact CB-CB 4.14Å; V29-M81 HydrophobicContact CB-CE 4.07Å; V29-M81 HydrophobicContact CG1-CE 4.02Å; V29-M81 HydrophobicContact CG2-CB 4.35Å; V29-M81 HydrophobicContact CG2-CE 4.12Å; V29-M81 PolarHBondContact N-O 3Å; V29-M81 PolarHBondContact O-N 2.86Å; V29-M81 VanDerWaalsContact O-N 3.15Å
82L95.8Very high90.7Very high53 Ų5376.6 Ų76.628%0.27743%0.432SS..EExtended strand (participates in β ladder)trans-125.7122.8176.7-64.1169.9000108.3V18 I26 I28 V47 M49 I79V18-L82 HydrophobicContact CG2-CD1 3.7Å; I26-L82 HydrophobicContact CD1-CB 4.21Å; I26-L82 HydrophobicContact CD1-CD2 4.03Å; I28-L82 HydrophobicContact CB-CD2 4.3Å; I28-L82 HydrophobicContact CD1-CD2 3.89Å; I28-L82 HydrophobicContact CG1-CD2 3.73Å; I28-L82 HydrophobicContact CG2-CD2 3.96Å; V47-L82 HydrophobicContact CG1-CD1 4.34Å; M49-L82 HydrophobicContact CE-CD1 3.43Å; M49-L82 VanDerWaalsContact CE-CD1 3.43Å; M49-L82 HydrophobicContact CE-CD2 3.44Å; M49-L82 VanDerWaalsContact CE-CD2 3.44Å; M49-L82 HydrophobicContact CE-CG 4.08Å; M49-L82 HydrophobicContact SD-CD2 3.81Å; I79-L82 HydrophobicContact CG2-CD2 3.86Å; I79-L82 HydrophobicContact CG2-CG 4.03Å
83I96.2Very high90.3Very high69 Ų6978.9 Ų78.935%0.35445%0.446SS..EExtended strand (participates in β ladder)trans-12298.8-175.5-57.4165.2000108H27 V29 G85 G86H27-I83 HydrophobicContact CB-CB 4.09Å; H27-I83 PolarHBondContact N-O 2.75Å; H27-I83 PolarHBondContact O-N 2.94Å; V29-I83 HydrophobicContact CG2-CD1 4.23Å; I83-G85 PolarHBondContact O-N 3.29Å; I83-G86 PolarHBondContact O-N 3.35Å
84P95Very high89.9Confident63 Ų6375.9 Ų75.941%0.40943%0.432SS..EExtended strand (participates in β ladder)trans-58.9132.2174.8-25.136.4000111.6L17 C21 G86L17-P84 HydrophobicContact CD1-CG 4.49Å; L17-P84 HydrophobicContact CG-CG 4.49Å; C21-P84 WeakPolarHBondContact SG-CB 3.48Å; C21-P84 WeakPolarHBondContact SG-CG 3.49Å; P84-G86 PolarHBondContact O-N 3.03Å
85G91.6Very high89.5Confident55 Ų5579.6 Ų79.657%0.56745%0.454SS*.THydrogen-bonded Turntrans71.45.117900000115.4R25 I83R25-G85 VanDerWaalsContact O-CA 3.31Å; R25-G85 WeakPolarHBondContact O-CA 3.49Å; R25-G85 PolarHBondContact O-N 2.95Å; I83-G85 PolarHBondContact O-N 3.29Å
86G89.4Confident89.2Confident12 Ų1279.9 Ų79.912%0.12446%0.457CS..  trans-67.1141.1179.300000112.6I83 P84I83-G86 PolarHBondContact O-N 3.35Å; P84-G86 PolarHBondContact O-N 3.03Å
87E87.6Confident88.9Confident176 Ų17684.5 Ų84.582%0.82248%0.48SS*.  trans-95.20.6179.9-58.9-167.815300113.2
88G86.4Confident88.5Confident18 Ų1882.4 Ų82.419%0.18647%0.47CS..  trans96-177.5-173.700000112.3V37 E90V37-G88 VanDerWaalsContact CG2-CA 3.43Å; G88-E90 PolarHBondContact O-N 3.38Å
89P84.9Confident88.1Confident37 Ų3783.1 Ų83.124%0.2448%0.477CS..SBendtrans-68.5128.1179.28.2-6.5000110.8E35 R64E35-P89 HydrophobicContact CB-CG 4.46Å; E35-P89 WeakPolarHBondContact OE2-CD 3.42Å; E35-P89 WeakPolarHBondContact OE2-CG 3.39Å; R64-P89 PolarHBondContact NH1-O 2.72Å; R64-P89 VanDerWaalsContact NH2-CD 3.35Å; R64-P89 PolarHBondContact NH2-O 3.1Å
90E72.6Confident87.4Confident191 Ų19187.8 Ų87.889%0.89351%0.505SS*.  trans-54137.3169.3-66.4-172.5162.600109.3G88G88-E90 PolarHBondContact O-N 3.38Å
91V58.7Low86.7Confident198 Ų19888.7 Ų88.7100%1.251%0.508SS*.  trans-71.70-178.3-113.70000111.8

Retrieved 91 of 91 residues in 93.4 ms (Link to these results)