A0A096ND46_PAPAN Loading...

U7 snRNA-associated Sm-like protein LSm10

AlphaFold DB (A0A2K6NEZ0), UniProt , Accession A0A096ND46, Species PAPAN (Papio anubis, Olive baboon), Gene LSM10, Length 123 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
1M59.2Low86.8Confident126 Ų12682.7 Ų82.762%0.62144%0.444SS*.  0125.80-81.2149.5164.100108.4G23 Q97M1-G23 WeakPolarHBondContact CE-O 3.37Å; M1-Q97 PolarHBondContact SD-NE2 3.42Å
2A72.3Confident87.6Confident76 Ų7680.4 Ų80.463%0.62843%0.43SS*.PPolyproline II helixtrans-87.2121.2177.300000108.1
3L80.2Confident88.3Confident33 Ų3374.4 Ų74.417%0.17340%0.398CS..PPolyproline II helixtrans-86.2152.5169-75178000109.7H5 I100 I101 V104L3-H5 PolarHBondContact O-N 2.81Å; L3-I100 HydrophobicContact CD1-CB 4.18Å; L3-I100 HydrophobicContact CD1-CG2 3.4Å; L3-I100 HydrophobicContact CG-CG2 3.99Å; L3-I101 HydrophobicContact CD1-CG1 3.93Å; L3-I101 HydrophobicContact CD2-CD1 4.43Å; L3-I101 HydrophobicContact CD2-CG1 3.84Å; L3-V104 HydrophobicContact CD1-CB 4.49Å; L3-V104 HydrophobicContact CD1-CG2 3.92Å
4S87.3Confident88.8Confident33 Ų3372.8 Ų72.823%0.23139%0.387CS..PPolyproline II helixtrans-61.1137.7171.3178.40000111S6 E9 R10S4-S6 PolarHBondContact O-N 3.49Å; S4-S6 PolarHBondContact OG-N 2.95Å; S4-S6 VanDerWaalsContact OG-N 3.12Å; S4-E9 WeakPolarHBondContact CB-OE2 3.37Å; S4-E9 PolarHBondContact OG-OE2 2.82Å; S4-R10 WeakPolarHBondContact O-CD 3.37Å; S4-R10 VanDerWaalsContact O-CG 3.29Å; S4-R10 WeakPolarHBondContact O-CG 3.34Å; S4-R10 PolarHBondContact O-NE 3.07Å
5H89.3Confident89.4Confident187 Ų18776.3 Ų76.387%0.86641%0.406SS*.SBendtrans-72.8-20.1172.4-66.4-75.1000112.2L3 V7L3-H5 PolarHBondContact O-N 2.81Å; H5-V7 PolarHBondContact O-N 2.91Å
6S93.9Very high89.9Confident47 Ų4774.4 Ų74.433%0.32940%0.401SS..  trans-74.9125.2178.2175.50000110.8S4 K8 E9 R10S4-S6 PolarHBondContact O-N 3.49Å; S4-S6 PolarHBondContact OG-N 2.95Å; S4-S6 VanDerWaalsContact OG-N 3.12Å; S6-K8 VanDerWaalsContact C-N 3.28Å; S6-K8 PolarHBondContact O-N 3.12Å; S6-K8 PolarHBondContact OG-N 2.83Å; S6-E9 PolarHBondContact OG-N 2.86Å; S6-R10 WeakPolarHBondContact O-CG 3.43Å; S6-R10 PolarHBondContact O-N 2.82Å; S6-R10 PolarHBondContact O-NE 2.84Å
7V93.4Very high90.3Very high97 Ų9778.2 Ų78.259%0.58842%0.42SS*.Hα-helixtrans-60.9-42.8172.41780000110H5 E9 R10 T11H5-V7 PolarHBondContact O-N 2.91Å; V7-E9 PolarHBondContact O-N 2.78Å; V7-R10 PolarHBondContact O-N 3.09Å; V7-T11 PolarHBondContact O-N 2.85Å; V7-T11 PolarHBondContact O-OG1 2.74Å; V7-T11 VanDerWaalsContact O-OG1 3.06Å
8K94.7Very high90.7Very high155 Ų15574.4 Ų74.467%0.67440%0.399SS*.Hα-helixtrans-58.6-49-180-177-178.3178.4-176.80111.5S6 T11 I12S6-K8 VanDerWaalsContact C-N 3.28Å; S6-K8 PolarHBondContact O-N 3.12Å; S6-K8 PolarHBondContact OG-N 2.83Å; K8-T11 PolarHBondContact O-N 2.99Å; K8-I12 HydrophobicContact CG-CD1 4.34Å; K8-I12 WeakPolarHBondContact O-CG1 3.27Å; K8-I12 PolarHBondContact O-N 2.85Å; K8-I12 VanDerWaalsContact O-N 3.14Å
9E94.5Very high91Very high59 Ų5970.7 Ų70.728%0.27638%0.38SS..Hα-helixtrans-65.6-43.3178.7-71.6-175.617200111.7S4 S6 V7 T11 I12 S13 A48S4-E9 WeakPolarHBondContact CB-OE2 3.37Å; S4-E9 PolarHBondContact OG-OE2 2.82Å; S6-E9 PolarHBondContact OG-N 2.86Å; V7-E9 PolarHBondContact O-N 2.78Å; E9-T11 VanDerWaalsContact C-N 3.29Å; E9-T11 PolarHBondContact O-N 2.79Å; E9-I12 PolarHBondContact O-N 3.12Å; E9-I12 VanDerWaalsContact O-N 3.15Å; E9-S13 PolarHBondContact O-N 3.01Å; E9-S13 PolarHBondContact O-OG 3.46Å; E9-A48 HydrophobicContact CB-CB 3.91Å; E9-A48 HydrophobicContact CG-CB 4.12Å
10R94.6Very high91.4Very high42 Ų4268.2 Ų68.216%0.15837%0.366CS..Hα-helixtrans-58.4-41176.8-78.2-175.3-71.5166.6-6.3112.6S4 S6 V7 S13 E14 V104S4-R10 WeakPolarHBondContact O-CD 3.37Å; S4-R10 VanDerWaalsContact O-CG 3.29Å; S4-R10 WeakPolarHBondContact O-CG 3.34Å; S4-R10 PolarHBondContact O-NE 3.07Å; S6-R10 WeakPolarHBondContact O-CG 3.43Å; S6-R10 PolarHBondContact O-N 2.82Å; S6-R10 PolarHBondContact O-NE 2.84Å; V7-R10 PolarHBondContact O-N 3.09Å; R10-S13 PolarHBondContact O-N 2.86Å; R10-E14 WeakPolarHBondContact O-CB 3.41Å; R10-E14 PolarHBondContact O-N 2.86Å; R10-V104 VanDerWaalsContact NH1-CG1 3.3Å
11T95.6Very high91.6Very high55 Ų5565.7 Ų65.734%0.33735%0.352SS..Hα-helixtrans-67.8-36177.8-59.10000112.1V7 K8 E9 S13 N15V7-T11 PolarHBondContact O-N 2.85Å; V7-T11 PolarHBondContact O-OG1 2.74Å; V7-T11 VanDerWaalsContact O-OG1 3.06Å; K8-T11 PolarHBondContact O-N 2.99Å; E9-T11 VanDerWaalsContact C-N 3.29Å; E9-T11 PolarHBondContact O-N 2.79Å; T11-S13 VanDerWaalsContact C-N 3.34Å; T11-N15 VanDerWaalsContact CG2-ND2 3.32Å; T11-N15 WeakPolarHBondContact CG2-ND2 3.3Å; T11-N15 WeakPolarHBondContact O-CB 3.42Å; T11-N15 PolarHBondContact O-N 2.84Å; T11-N15 VanDerWaalsContact O-N 3.12Å; T11-N15 PolarHBondContact O-ND2 3.09Å
12I96.6Very high93.4Very high55 Ų5560.4 Ų60.428%0.28233%0.326SS..Hα-helixtrans-65.1-43.5172.7-65.9164.7000109.8K8 E9 N15 S16 A48 F49K8-I12 HydrophobicContact CG-CD1 4.34Å; K8-I12 WeakPolarHBondContact O-CG1 3.27Å; K8-I12 PolarHBondContact O-N 2.85Å; K8-I12 VanDerWaalsContact O-N 3.14Å; E9-I12 PolarHBondContact O-N 3.12Å; E9-I12 VanDerWaalsContact O-N 3.15Å; I12-N15 PolarHBondContact O-N 3.05Å; I12-S16 WeakPolarHBondContact O-CB 3.45Å; I12-S16 PolarHBondContact O-N 2.97Å; I12-S16 PolarHBondContact O-OG 3.36Å; I12-A48 HydrophobicContact CB-CB 3.99Å; I12-A48 HydrophobicContact CG2-CB 3.9Å; I12-A48 WeakPolarHBondContact CG2-O 3.48Å; I12-F49 HydrophobicContact CD1-CE1 4.16Å; I12-F49 HydrophobicContact CD1-CZ 3.94Å
13S95.9Very high94.5Very high2 Ų256.9 Ų56.91%0.01430%0.297CS..Hα-helixtrans-60.4-51.3176.9-66.20000112.3E9 R10 T11 N15 S16 I18 I19 Q22E9-S13 PolarHBondContact O-N 3.01Å; E9-S13 PolarHBondContact O-OG 3.46Å; R10-S13 PolarHBondContact O-N 2.86Å; T11-S13 VanDerWaalsContact C-N 3.34Å; S13-N15 VanDerWaalsContact C-N 3.29Å; S13-N15 PolarHBondContact O-N 2.89Å; S13-S16 PolarHBondContact O-N 3.2Å; S13-I18 VanDerWaalsContact CA-CG2 3.48Å; S13-I19 WeakPolarHBondContact O-CB 3.15Å; S13-Q22 VanDerWaalsContact CB-OE1 3.23Å; S13-Q22 PolarHBondContact OG-NE2 3Å; S13-Q22 PolarHBondContact OG-OE1 2.78Å; S13-Q22 VanDerWaalsContact OG-OE1 3.11Å
14E95.8Very high95.3Very high52 Ų5255.3 Ų55.324%0.24329%0.289CS..Hα-helixtrans-59.1-36.7179.1-175.7-178.4-158.100113.4R10 L98 I101 R105R10-E14 WeakPolarHBondContact O-CB 3.41Å; R10-E14 PolarHBondContact O-N 2.86Å; E14-L98 HydrophobicContact CB-CD2 4.44Å; E14-L98 HydrophobicContact CG-CD2 3.75Å; E14-I101 HydrophobicContact CB-CD1 4.23Å; E14-R105 VanDerWaalsContact CD-NH2 3.28Å; E14-R105 IonicContact OE1-CZ 3.29Å; E14-R105 IonicContact OE1-NH1 2.8Å; E14-R105 PolarHBondContact OE1-NH1 2.96Å; E14-R105 IonicContact OE1-NH2 3.97Å; E14-R105 PolarHBondContact OE1-NH2 3.24Å; E14-R105 IonicContact OE2-CZ 2.84Å; E14-R105 IonicContact OE2-NH1 2.89Å; E14-R105 IonicContact OE2-NH2 3.58Å; E14-R105 PolarHBondContact OE2-NH2 3.06Å
15N97.3Very high95.7Very high125 Ų12555.2 Ų55.267%0.66829%0.285SS*.THydrogen-bonded Turntrans-93.59.3-176.7-66.3-43.9000113.9T11 I12 S13T11-N15 VanDerWaalsContact CG2-ND2 3.32Å; T11-N15 WeakPolarHBondContact CG2-ND2 3.3Å; T11-N15 WeakPolarHBondContact O-CB 3.42Å; T11-N15 PolarHBondContact O-N 2.84Å; T11-N15 VanDerWaalsContact O-N 3.12Å; T11-N15 PolarHBondContact O-ND2 3.09Å; I12-N15 PolarHBondContact O-N 3.05Å; S13-N15 VanDerWaalsContact C-N 3.29Å; S13-N15 PolarHBondContact O-N 2.89Å
16S97.6Very high96.1Very high47 Ų4748.7 Ų48.733%0.32927%0.268SS..SBendtrans-141.5166.817970.40000112.3I12 S13 I18 I19I12-S16 WeakPolarHBondContact O-CB 3.45Å; I12-S16 PolarHBondContact O-N 2.97Å; I12-S16 PolarHBondContact O-OG 3.36Å; S13-S16 PolarHBondContact O-N 3.2Å; S16-I18 PolarHBondContact O-N 2.82Å; S16-I18 VanDerWaalsContact O-N 3.13Å; S16-I18 WeakPolarHBondContact OG-CG2 3.33Å; S16-I19 WeakPolarHBondContact O-CG2 3.36Å
17L97.5Very high96.2Very high139 Ų13950.1 Ų50.173%0.72827%0.267SS*.THydrogen-bonded Turntrans-70.6-4.4180-68.6178.5000113.8I19 L20L17-I19 PolarHBondContact O-N 2.86Å; L17-I19 VanDerWaalsContact O-N 3.17Å; L17-L20 WeakPolarHBondContact O-CB 3.46Å; L17-L20 PolarHBondContact O-N 3.33Å; L17-L20 VanDerWaalsContact O-N 3.1Å
18I97.2Very high96.5Very high9 Ų949.5 Ų49.55%0.04626%0.263CS..Hα-helixtrans-61.6-25.9177.6-164.455.8000112.3S13 S16 L20 L21 Q22 V46 D47 M50S13-I18 VanDerWaalsContact CA-CG2 3.48Å; S16-I18 PolarHBondContact O-N 2.82Å; S16-I18 VanDerWaalsContact O-N 3.13Å; S16-I18 WeakPolarHBondContact OG-CG2 3.33Å; I18-L20 PolarHBondContact O-N 2.83Å; I18-L21 HydrophobicContact CD1-CB 4.24Å; I18-L21 HydrophobicContact CD1-CD1 3.96Å; I18-L21 HydrophobicContact CD1-CG 4.49Å; I18-L21 PolarHBondContact O-N 3.25Å; I18-Q22 PolarHBondContact O-N 2.82Å; I18-V46 HydrophobicContact CD1-CG1 3.67Å; I18-V46 HydrophobicContact CG1-CG1 4.21Å; I18-D47 VanDerWaalsContact CG1-O 3.22Å; I18-D47 WeakPolarHBondContact CG1-O 3.47Å; I18-M50 HydrophobicContact CD1-CB 3.72Å; I18-M50 HydrophobicContact CD1-CE 4.22Å; I18-M50 HydrophobicContact CD1-CG 3.78Å
19I97.1Very high96.6Very high5 Ų542.3 Ų42.33%0.02623%0.232CC..Hα-helixtrans-58.6-30.8176.5-164.9164.4000112.8S13 S16 L17 Q22 G23 I94 Q97 L98 I101S13-I19 WeakPolarHBondContact O-CB 3.15Å; S16-I19 WeakPolarHBondContact O-CG2 3.36Å; L17-I19 PolarHBondContact O-N 2.86Å; L17-I19 VanDerWaalsContact O-N 3.17Å; I19-Q22 PolarHBondContact O-N 2.88Å; I19-G23 PolarHBondContact O-N 2.95Å; I19-I94 HydrophobicContact CG2-CG1 4.38Å; I19-I94 HydrophobicContact CG2-CG2 4.1Å; I19-Q97 HydrophobicContact CD1-CB 3.69Å; I19-Q97 HydrophobicContact CG1-CB 3.37Å; I19-Q97 HydrophobicContact CG1-CG 4.06Å; I19-L98 HydrophobicContact CD1-CD2 3.48Å; I19-L98 VanDerWaalsContact CD1-CD2 3.48Å; I19-L98 HydrophobicContact CD1-CG 3.78Å; I19-I101 HydrophobicContact CD1-CD1 3.73Å
20L97.6Very high96.8Very high19 Ų1941 Ų4110%0.09923%0.228CC..Hα-helixtrans-62.2-49173.9176.564.1000110.5L17 I18 Q22 G23 L24 I84 I90 T93 I94L17-L20 WeakPolarHBondContact O-CB 3.46Å; L17-L20 PolarHBondContact O-N 3.33Å; L17-L20 VanDerWaalsContact O-N 3.1Å; I18-L20 PolarHBondContact O-N 2.83Å; L20-Q22 VanDerWaalsContact C-N 3.32Å; L20-Q22 PolarHBondContact O-N 2.93Å; L20-G23 WeakPolarHBondContact O-CA 3.32Å; L20-G23 PolarHBondContact O-N 2.7Å; L20-L24 PolarHBondContact O-N 3.46Å; L20-I84 HydrophobicContact CD2-CD1 3.79Å; L20-I90 HydrophobicContact CD1-CB 4.3Å; L20-I90 HydrophobicContact CD1-CG2 3.74Å; L20-I90 HydrophobicContact CD2-CG2 3.78Å; L20-I90 HydrophobicContact CG-CG2 4.41Å; L20-T93 HydrophobicContact CD1-CG2 4.33Å; L20-I94 HydrophobicContact CB-CD1 4.21Å; L20-I94 HydrophobicContact CB-CG1 3.93Å; L20-I94 HydrophobicContact CD1-CD1 4.26Å; L20-I94 HydrophobicContact CD1-CG1 3.91Å; L20-I94 HydrophobicContact CG-CG1 4.46Å
21L96.5Very high97Very high16 Ų1639 Ų398%0.08422%0.22CC..Hα-helixtrans-66.1-34.6179.7-63.6-173.5000112.2I18 G23 L24 V46 M50 V82I18-L21 HydrophobicContact CD1-CB 4.24Å; I18-L21 HydrophobicContact CD1-CD1 3.96Å; I18-L21 HydrophobicContact CD1-CG 4.49Å; I18-L21 PolarHBondContact O-N 3.25Å; L21-G23 PolarHBondContact O-N 2.83Å; L21-L24 HydrophobicContact CD2-CD1 3.82Å; L21-L24 WeakPolarHBondContact O-CB 3.33Å; L21-L24 PolarHBondContact O-N 2.91Å; L21-V46 HydrophobicContact CB-CG1 4.2Å; L21-V46 HydrophobicContact CB-CG2 4.5Å; L21-M50 HydrophobicContact CD1-CG 4.14Å; L21-M50 HydrophobicContact CD1-SD 4.5Å; L21-V82 HydrophobicContact CD1-CB 4.49Å; L21-V82 HydrophobicContact CD1-CG2 3.95Å; L21-V82 HydrophobicContact CD2-CB 3.89Å; L21-V82 HydrophobicContact CD2-CG1 3.69Å; L21-V82 HydrophobicContact CD2-CG2 4.24Å
22Q96.8Very high97.1Very high16 Ų1637.5 Ų37.58%0.07521%0.21CC..Hα-helixtrans-62.4-33.9171.2-70.2177.8-27.500112S13 I18 I19 L20 L24 Q25 V46S13-Q22 VanDerWaalsContact CB-OE1 3.23Å; S13-Q22 PolarHBondContact OG-NE2 3Å; S13-Q22 PolarHBondContact OG-OE1 2.78Å; S13-Q22 VanDerWaalsContact OG-OE1 3.11Å; I18-Q22 PolarHBondContact O-N 2.82Å; I19-Q22 PolarHBondContact O-N 2.88Å; L20-Q22 VanDerWaalsContact C-N 3.32Å; L20-Q22 PolarHBondContact O-N 2.93Å; Q22-L24 PolarHBondContact O-N 3.4Å; Q22-Q25 WeakPolarHBondContact O-CB 3.29Å; Q22-Q25 WeakPolarHBondContact O-CG 3.23Å; Q22-Q25 PolarHBondContact O-N 3.1Å; Q22-V46 HydrophobicContact CG-CB 4.16Å; Q22-V46 HydrophobicContact CG-CG1 4.48Å; Q22-V46 WeakPolarHBondContact CG-O 3.41Å; Q22-V46 PolarHBondContact NE2-O 2.56Å
23G96.4Very high97.2Very high2 Ų235.7 Ų35.72%0.02120%0.201CC..THydrogen-bonded Turntrans-69.3-12.3171.800000114.8M1 I19 L20 L21M1-G23 WeakPolarHBondContact CE-O 3.37Å; I19-G23 PolarHBondContact O-N 2.95Å; L20-G23 WeakPolarHBondContact O-CA 3.32Å; L20-G23 PolarHBondContact O-N 2.7Å; L21-G23 PolarHBondContact O-N 2.83Å
24L96.2Very high97.3Very high0 Ų042.7 Ų42.70%023%0.227CC..THydrogen-bonded Turntrans-90.80.4175.3-54.1-177.6000113.3L20 L21 Q22 G26 R27 I43 I84 V88L20-L24 PolarHBondContact O-N 3.46Å; L21-L24 HydrophobicContact CD2-CD1 3.82Å; L21-L24 WeakPolarHBondContact O-CB 3.33Å; L21-L24 PolarHBondContact O-N 2.91Å; Q22-L24 PolarHBondContact O-N 3.4Å; L24-G26 PolarHBondContact O-N 3.33Å; L24-R27 WeakPolarHBondContact O-CB 3.5Å; L24-R27 PolarHBondContact O-N 2.81Å; L24-I43 HydrophobicContact CB-CD1 3.86Å; L24-I84 HydrophobicContact CD1-CG1 4.28Å; L24-I84 HydrophobicContact CD1-CG2 4.48Å; L24-I84 HydrophobicContact CD2-CG2 4.46Å; L24-V88 HydrophobicContact CD2-CB 4.42Å; L24-V88 HydrophobicContact CD2-CG1 3.81Å; L24-V88 HydrophobicContact CD2-CG2 3.94Å
25Q96.4Very high97.4Very high30 Ų3042.9 Ų42.914%0.1423%0.23CC..THydrogen-bonded Turntrans-52130.5175.7-76.1175.74.500111.5Q22 I43 N45Q22-Q25 WeakPolarHBondContact O-CB 3.29Å; Q22-Q25 WeakPolarHBondContact O-CG 3.23Å; Q22-Q25 PolarHBondContact O-N 3.1Å; Q25-I43 HydrophobicContact CG-CG2 4.23Å; Q25-N45 PolarHBondContact NE2-OD1 3.41Å; Q25-N45 VanDerWaalsContact NE2-OD1 3.11Å
26G96.4Very high97.4Very high50 Ų5043.6 Ų43.652%0.51523%0.229SC..THydrogen-bonded Turntrans90.7-12.8-176.300000114.6L24 R42 I43L24-G26 PolarHBondContact O-N 3.33Å; G26-R42 WeakPolarHBondContact O-CD 3.13Å; G26-R42 WeakPolarHBondContact O-CG 3.27Å; G26-I43 PolarHBondContact N-O 2.88Å
27R96.9Very high97.4Very high78 Ų7841.4 Ų41.429%0.29421%0.214SC..SBendtrans-87.3151.3176.1-67.1-169.4160.9126.1-13.5111.9L24 T29 R42 I43 P85 D87 V88L24-R27 WeakPolarHBondContact O-CB 3.5Å; L24-R27 PolarHBondContact O-N 2.81Å; R27-T29 HydrophobicContact CB-CG2 4.46Å; R27-R42 CarbonylContact O-C 3.59Å; R27-R42 WeakPolarHBondContact O-CA 3.49Å; R27-I43 PolarHBondContact O-N 2.91Å; R27-P85 HydrophobicContact CB-CG 4.42Å; R27-D87 IonicContact CZ-OD2 3.47Å; R27-D87 IonicContact NE-OD2 2.8Å; R27-D87 PolarHBondContact NE-OD2 2.99Å; R27-D87 IonicContact NH2-OD2 3.57Å; R27-D87 PolarHBondContact NH2-OD2 3.46Å; R27-V88 VanDerWaalsContact NH1-CG2 3.27Å
28V98.1Very high97.5Very high83 Ų8336.9 Ų36.950%0.50319%0.192SC..EExtended strand (participates in β ladder)trans-85.1126.6170.7-179.80000108.4H40 G41 R42V28-H40 WeakPolarHBondContact CG1-NE2 3.44Å; V28-G41 WeakPolarHBondContact CA-O 3.48Å; V28-R42 HydrophobicContact CG2-CB 4.17Å; V28-R42 HydrophobicContact CG2-CG 4.5Å
29T98Very high97.5Very high4 Ų436.4 Ų36.43%0.02519%0.189CC..EExtended strand (participates in β ladder)trans-141.2163.6-177.461.60000110.2R27 G41 I43 H83 P85R27-T29 HydrophobicContact CB-CG2 4.46Å; T29-G41 PolarHBondContact N-O 3.11Å; T29-G41 PolarHBondContact O-N 3.48Å; T29-I43 HydrophobicContact CG2-CD1 3.86Å; T29-I43 HydrophobicContact CG2-CG1 4.45Å; T29-I43 WeakPolarHBondContact OG1-CD1 3.35Å; T29-I43 WeakPolarHBondContact OG1-CG1 3.43Å; T29-H83 WeakPolarHBondContact CB-O 3.4Å; T29-P85 HydrophobicContact CG2-CG 3.8Å
30T98.6Very high97.6Very high32 Ų3240.1 Ų40.120%0.19621%0.206CC..EExtended strand (participates in β ladder)trans-102.3136.7169.4-550000109.2V38 A39 H40 H83T30-V38 HydrophobicContact CG2-CG1 3.35Å; T30-A39 CarbonylContact C-O 3.57Å; T30-H40 PolarHBondContact OG1-ND1 3.49Å; T30-H83 WeakPolarHBondContact O-CB 3.36Å; T30-H83 PolarHBondContact O-CD2 3.16Å; T30-H83 VanDerWaalsContact O-CD2 3.26Å; T30-H83 PolarHBondContact O-N 2.83Å
31V98.5Very high97.6Very high0 Ų039.3 Ų39.30%020%0.203CC..EExtended strand (participates in β ladder)trans-119.1116.5174.5-178.90000107.7L33 A39 I52 L54 V79 Y81 V82V31-L33 HydrophobicContact CG1-CD1 4.46Å; V31-L33 WeakPolarHBondContact O-CD1 2.99Å; V31-A39 HydrophobicContact CB-CB 4.46Å; V31-A39 PolarHBondContact N-O 3.12Å; V31-A39 PolarHBondContact O-N 3.49Å; V31-I52 HydrophobicContact CG1-CD1 4.29Å; V31-I52 HydrophobicContact CG2-CD1 4.14Å; V31-L54 HydrophobicContact CG2-CD1 4.2Å; V31-L54 HydrophobicContact CG2-CD2 4.46Å; V31-V79 HydrophobicContact CG1-CG1 4.1Å; V31-V79 HydrophobicContact CG1-CG2 4.24Å; V31-Y81 CarbonylContact C-O 3.44Å; V31-Y81 WeakPolarHBondContact CA-O 3.14Å; V31-V82 HydrophobicContact CG1-CG2 4.41Å; V31-V82 HydrophobicContact CG2-CG1 4.38Å; V31-V82 HydrophobicContact CG2-CG2 4.37Å
32D98.5Very high97.7Very high24 Ų2443.1 Ų43.113%0.12822%0.216CC..EExtended strand (participates in β ladder)trans-91.3126.9173.6-61.3-23.1000109.1R80 Y81 H83D32-R80 WeakPolarHBondContact O-CA 3.36Å; D32-R80 WeakPolarHBondContact O-CB 3.48Å; D32-R80 PolarHBondContact O-N 2.88Å; D32-Y81 HydrophobicContact CB-CD2 4.09Å; D32-Y81 PolarHBondContact N-O 3.11Å; D32-Y81 PolarHBondContact O-N 3.13Å; D32-Y81 VanDerWaalsContact O-N 3.09Å; D32-H83 IonicContact OD1-NE2 2.99Å; D32-H83 PolarHBondContact OD1-NE2 3.37Å; D32-H83 IonicContact OD2-CD2 3.83Å; D32-H83 IonicContact OD2-CE1 2.97Å; D32-H83 IonicContact OD2-NE2 3.12Å; D32-H83 PolarHBondContact OD2-NE2 3.46Å
33L98.4Very high97.8Very high16 Ų1642.4 Ų42.48%0.08421%0.212CC..EExtended strand (participates in β ladder)trans-86.4161.8179.6-70.873.5000110.2V31 D35 E36 S37 A39 Y59 V74 N78V31-L33 HydrophobicContact CG1-CD1 4.46Å; V31-L33 WeakPolarHBondContact O-CD1 2.99Å; L33-D35 WeakPolarHBondContact CB-OD1 3.48Å; L33-D35 PolarHBondContact O-N 3.15Å; L33-E36 PolarHBondContact O-N 2.76Å; L33-S37 WeakPolarHBondContact CB-O 3.2Å; L33-S37 PolarHBondContact N-O 2.86Å; L33-A39 HydrophobicContact CD1-CB 4.13Å; L33-Y59 HydrophobicContact CD2-CE2 4.43Å; L33-V74 HydrophobicContact CD2-CG1 4.33Å; L33-V74 HydrophobicContact CG-CG1 4.28Å; L33-N78 CarbonylContact C-O 3.58Å; L33-N78 WeakPolarHBondContact CA-O 3.41Å
34R98.1Very high97.8Very high150 Ų15045.4 Ų45.457%0.56623%0.228SC*.THydrogen-bonded Turntrans-66.9-24.5178-74.2-172.7-177-173.32.3113.4E36 R77 N78 V79 R80R34-E36 PolarHBondContact O-N 3.39Å; R34-R77 WeakPolarHBondContact CD-O 3.31Å; R34-R77 PolarHBondContact NE-O 3.34Å; R34-R77 PolarHBondContact NH1-O 3.17Å; R34-N78 PolarHBondContact N-O 3.29Å; R34-V79 PolarHBondContact NE-O 3.05Å; R34-R80 HydrophobicContact CG-CB 4.12Å
35D96.9Very high97.8Very high56 Ų5649.1 Ų49.130%0.29925%0.248SC..THydrogen-bonded Turntrans-90.618.5177.279.2-34.9000112.7L33 S37 R62L33-D35 WeakPolarHBondContact CB-OD1 3.48Å; L33-D35 PolarHBondContact O-N 3.15Å; D35-S37 PolarHBondContact O-N 3.09Å; D35-S37 WeakPolarHBondContact OD1-CB 3.43Å; D35-S37 PolarHBondContact OD1-N 2.82Å; D35-S37 PolarHBondContact OD1-OG 3.2Å; D35-S37 VanDerWaalsContact OD1-OG 3.05Å; D35-S37 PolarHBondContact OD2-OG 2.86Å; D35-S37 VanDerWaalsContact OD2-OG 3.12Å; D35-R62 WeakPolarHBondContact O-CB 3.41Å; D35-R62 IonicContact OD2-CZ 3.69Å; D35-R62 IonicContact OD2-NE 2.84Å; D35-R62 IonicContact OD2-NH2 3.52Å; D35-R62 PolarHBondContact OD2-NH2 3.23Å
36E97.3Very high97.9Very high140 Ų14047.7 Ų47.765%0.65424%0.242SC*.SBendtrans68.65.5178.4-53.2178.6165.400114.9L33 R34 R62L33-E36 PolarHBondContact O-N 2.76Å; R34-E36 PolarHBondContact O-N 3.39Å; E36-R62 HydrophobicContact CB-CB 4.45Å
37S98.2Very high97.8Very high1 Ų147 Ų471%0.00723%0.226CC..  trans-72.4155.9168.1-510000111L33 D35 Y59 T60L33-S37 WeakPolarHBondContact CB-O 3.2Å; L33-S37 PolarHBondContact N-O 2.86Å; D35-S37 PolarHBondContact O-N 3.09Å; D35-S37 WeakPolarHBondContact OD1-CB 3.43Å; D35-S37 PolarHBondContact OD1-N 2.82Å; D35-S37 PolarHBondContact OD1-OG 3.2Å; D35-S37 VanDerWaalsContact OD1-OG 3.05Å; D35-S37 PolarHBondContact OD2-OG 2.86Å; D35-S37 VanDerWaalsContact OD2-OG 3.12Å; S37-Y59 WeakPolarHBondContact CB-OH 3.29Å; S37-Y59 PolarHBondContact OG-OH 3.29Å; S37-Y59 VanDerWaalsContact OG-OH 3.07Å; S37-T60 CarbonylContact C-O 3.53Å; S37-T60 WeakPolarHBondContact CA-O 3.2Å; S37-T60 WeakPolarHBondContact CB-O 3.46Å
38V98.6Very high97.8Very high43 Ų4343.7 Ų43.726%0.26122%0.215SC..EExtended strand (participates in β ladder)trans-127.7131-176.7-178.70000109.8T30 Y59 T60T30-V38 HydrophobicContact CG2-CG1 3.35Å; V38-Y59 CarbonylContact O-C 3.58Å; V38-Y59 WeakPolarHBondContact O-CA 3.38Å; V38-T60 PolarHBondContact N-O 2.85Å; V38-T60 PolarHBondContact O-N 3.06Å
39A98.6Very high97.7Very high0 Ų045.4 Ų45.40%022%0.216CC..EExtended strand (participates in β ladder)trans-116.5111.7173.700000110T30 V31 L33 L54 V57 Y59 L72T30-A39 CarbonylContact C-O 3.57Å; V31-A39 HydrophobicContact CB-CB 4.46Å; V31-A39 PolarHBondContact N-O 3.12Å; V31-A39 PolarHBondContact O-N 3.49Å; L33-A39 HydrophobicContact CD1-CB 4.13Å; A39-L54 HydrophobicContact CB-CD1 3.72Å; A39-V57 HydrophobicContact CB-CG1 4.07Å; A39-Y59 HydrophobicContact CB-CD2 4.24Å; A39-L72 HydrophobicContact CB-CD2 3.69Å
40H98.6Very high97.7Very high82 Ų8248.6 Ų48.638%0.3823%0.231SC..EExtended strand (participates in β ladder)trans-104.6116.9175.2-179.879.3000110.2V28 T30 V57 T58V28-H40 WeakPolarHBondContact CG1-NE2 3.44Å; T30-H40 PolarHBondContact OG1-ND1 3.49Å; H40-V57 CarbonylContact O-C 3.49Å; H40-V57 VanDerWaalsContact O-CA 3.27Å; H40-V57 WeakPolarHBondContact O-CA 3.49Å; H40-T58 PolarHBondContact N-O 2.94Å; H40-T58 PolarHBondContact O-N 3.06Å
41G98.4Very high97.6Very high2 Ų248.9 Ų48.92%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-173.7-179.6-176.500000113.7V28 T29V28-G41 WeakPolarHBondContact CA-O 3.48Å; T29-G41 PolarHBondContact N-O 3.11Å; T29-G41 PolarHBondContact O-N 3.48Å
42R98.4Very high97.6Very high96 Ų9649 Ų4936%0.36223%0.232SC..EExtended strand (participates in β ladder)trans-83.9130.3177.8-170.2-17667.8-165.7-2.7110.7G26 R27 V28 D44 L54 A55G26-R42 WeakPolarHBondContact O-CD 3.13Å; G26-R42 WeakPolarHBondContact O-CG 3.27Å; R27-R42 CarbonylContact O-C 3.59Å; R27-R42 WeakPolarHBondContact O-CA 3.49Å; V28-R42 HydrophobicContact CG2-CB 4.17Å; V28-R42 HydrophobicContact CG2-CG 4.5Å; R42-D44 IonicContact CZ-OD1 2.61Å; R42-D44 VanDerWaalsContact CZ-OD1 3.29Å; R42-D44 IonicContact NE-OD1 3.52Å; R42-D44 PolarHBondContact NE-OD1 3.3Å; R42-D44 IonicContact NH2-OD1 3.21Å; R42-D44 PolarHBondContact NH2-OD1 3.45Å; R42-D44 IonicContact NH2-OD2 3.46Å; R42-D44 PolarHBondContact O-N 2.75Å; R42-L54 CarbonylContact O-C 3.55Å; R42-L54 VanDerWaalsContact O-CA 3.23Å; R42-L54 WeakPolarHBondContact O-CA 3.22Å; R42-A55 PolarHBondContact N-O 3.5Å; R42-A55 PolarHBondContact O-N 3.3Å
43I98Very high97.6Very high1 Ų153.9 Ų53.91%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-71.3113.7172.4-61.6174.2000109.1L24 Q25 G26 R27 T29 V46 I52 L54L24-I43 HydrophobicContact CB-CD1 3.86Å; Q25-I43 HydrophobicContact CG-CG2 4.23Å; G26-I43 PolarHBondContact N-O 2.88Å; R27-I43 PolarHBondContact O-N 2.91Å; T29-I43 HydrophobicContact CG2-CD1 3.86Å; T29-I43 HydrophobicContact CG2-CG1 4.45Å; T29-I43 WeakPolarHBondContact OG1-CD1 3.35Å; T29-I43 WeakPolarHBondContact OG1-CG1 3.43Å; I43-V46 HydrophobicContact CG2-CG2 3.46Å; I43-V46 VanDerWaalsContact CG2-CG2 3.46Å; I43-I52 HydrophobicContact CG1-CG2 4.44Å; I43-I52 HydrophobicContact CG2-CG2 4.48Å; I43-L54 HydrophobicContact CG1-CD2 3.84Å
44D97.3Very high97.6Very high65 Ų6553.1 Ų53.135%0.34825%0.245SC..EExtended strand (participates in β ladder)trans-91.1-40.4174.1-87.611.8000111.1R42 R53 A55R42-D44 IonicContact CZ-OD1 2.61Å; R42-D44 VanDerWaalsContact CZ-OD1 3.29Å; R42-D44 IonicContact NE-OD1 3.52Å; R42-D44 PolarHBondContact NE-OD1 3.3Å; R42-D44 IonicContact NH2-OD1 3.21Å; R42-D44 PolarHBondContact NH2-OD1 3.45Å; R42-D44 IonicContact NH2-OD2 3.46Å; R42-D44 PolarHBondContact O-N 2.75Å; D44-R53 PolarHBondContact N-O 3.37Å; D44-A55 VanDerWaalsContact OD2-CB 3.29Å; D44-A55 WeakPolarHBondContact OD2-CB 3.38Å
45N96.3Very high97.6Very high78 Ų7846.3 Ų46.342%0.41722%0.221SC..EExtended strand (participates in β ladder)trans-153152.4174.9-168.328.8000112.2Q25 R53Q25-N45 PolarHBondContact NE2-OD1 3.41Å; Q25-N45 VanDerWaalsContact NE2-OD1 3.11Å; N45-R53 HydrophobicContact CB-CB 4.43Å; N45-R53 PolarHBondContact N-O 3.41Å; N45-R53 PolarHBondContact O-N 3.48Å
46V97Very high97.7Very high1 Ų151.3 Ų51.31%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-137.6124173.2-174.80000108.5I18 L21 Q22 I43 N51 I52I18-V46 HydrophobicContact CD1-CG1 3.67Å; I18-V46 HydrophobicContact CG1-CG1 4.21Å; L21-V46 HydrophobicContact CB-CG1 4.2Å; L21-V46 HydrophobicContact CB-CG2 4.5Å; Q22-V46 HydrophobicContact CG-CB 4.16Å; Q22-V46 HydrophobicContact CG-CG1 4.48Å; Q22-V46 WeakPolarHBondContact CG-O 3.41Å; Q22-V46 PolarHBondContact NE2-O 2.56Å; I43-V46 HydrophobicContact CG2-CG2 3.46Å; I43-V46 VanDerWaalsContact CG2-CG2 3.46Å; V46-N51 WeakPolarHBondContact CA-O 3.48Å; V46-I52 HydrophobicContact CG1-CG1 4.33Å; V46-I52 HydrophobicContact CG2-CG1 4.29Å; V46-I52 HydrophobicContact CG2-CG2 4.23Å
47D95.6Very high97.8Very high35 Ų3544.7 Ų44.719%0.18721%0.209CC..  trans-86.5-179.7177.978.83.3000113I18 F49 M50 N51I18-D47 VanDerWaalsContact CG1-O 3.22Å; I18-D47 WeakPolarHBondContact CG1-O 3.47Å; D47-F49 PolarHBondContact O-N 3.23Å; D47-F49 VanDerWaalsContact OD1-C 3.25Å; D47-F49 WeakPolarHBondContact OD1-CA 3.33Å; D47-F49 PolarHBondContact OD1-N 2.91Å; D47-M50 PolarHBondContact O-N 3.02Å; D47-M50 PolarHBondContact OD1-N 3.4Å; D47-N51 PolarHBondContact N-O 2.85Å; D47-N51 VanDerWaalsContact N-O 3.1Å; D47-N51 WeakPolarHBondContact OD1-CB 3.33Å; D47-N51 PolarHBondContact OD1-N 2.81Å; D47-N51 WeakPolarHBondContact OD2-CB 3.33Å; D47-N51 PolarHBondContact OD2-ND2 2.81Å
48A96.4Very high97.8Very high8 Ų846.5 Ų46.57%0.06622%0.22CC..THydrogen-bonded Turntrans-69.6-10.8179.700000114.4E9 I12E9-A48 HydrophobicContact CB-CB 3.91Å; E9-A48 HydrophobicContact CG-CB 4.12Å; I12-A48 HydrophobicContact CB-CB 3.99Å; I12-A48 HydrophobicContact CG2-CB 3.9Å; I12-A48 WeakPolarHBondContact CG2-O 3.48Å
49F96.5Very high97.8Very high120 Ų12047 Ų4753%0.52622%0.218SC..THydrogen-bonded Turntrans-110.616.1-178.6-57.1-76.2000112.5I12 D47 N51I12-F49 HydrophobicContact CD1-CE1 4.16Å; I12-F49 HydrophobicContact CD1-CZ 3.94Å; D47-F49 PolarHBondContact O-N 3.23Å; D47-F49 VanDerWaalsContact OD1-C 3.25Å; D47-F49 WeakPolarHBondContact OD1-CA 3.33Å; D47-F49 PolarHBondContact OD1-N 2.91Å; F49-N51 PolarHBondContact O-N 3.24Å
50M97.3Very high97.8Very high70 Ų7048.5 Ų48.535%0.34523%0.227SC..  trans64.821.2-179.6-157.1-178.6-65.800114.1I18 L21 D47 I52 G76 V79I18-M50 HydrophobicContact CD1-CB 3.72Å; I18-M50 HydrophobicContact CD1-CE 4.22Å; I18-M50 HydrophobicContact CD1-CG 3.78Å; L21-M50 HydrophobicContact CD1-CG 4.14Å; L21-M50 HydrophobicContact CD1-SD 4.5Å; D47-M50 PolarHBondContact O-N 3.02Å; D47-M50 PolarHBondContact OD1-N 3.4Å; M50-I52 WeakPolarHBondContact O-CG1 3.38Å; M50-I52 PolarHBondContact O-N 3.26Å; M50-G76 VanDerWaalsContact C-CA 3.42Å; M50-G76 WeakPolarHBondContact O-CA 3.43Å; M50-G76 PolarHBondContact O-N 3.43Å; M50-V79 HydrophobicContact CG-CG2 4.48Å; M50-V79 HydrophobicContact SD-CB 4.03Å; M50-V79 HydrophobicContact SD-CG1 3.97Å
51N97.7Very high97.7Very high39 Ų3946.2 Ų46.221%0.20922%0.218CC..  trans-72.1124.4164.9-57.2-52.1000108.7V46 D47 F49 F73 V74 T75 G76V46-N51 WeakPolarHBondContact CA-O 3.48Å; D47-N51 PolarHBondContact N-O 2.85Å; D47-N51 VanDerWaalsContact N-O 3.1Å; D47-N51 WeakPolarHBondContact OD1-CB 3.33Å; D47-N51 PolarHBondContact OD1-N 2.81Å; D47-N51 WeakPolarHBondContact OD2-CB 3.33Å; D47-N51 PolarHBondContact OD2-ND2 2.81Å; F49-N51 PolarHBondContact O-N 3.24Å; N51-F73 HydrophobicContact CB-CE2 3.82Å; N51-F73 HydrophobicContact CB-CZ 3.59Å; N51-V74 WeakPolarHBondContact CA-O 3.4Å; N51-T75 WeakPolarHBondContact OD1-CA 3.46Å; N51-G76 PolarHBondContact OD1-N 3.21Å
52I98.2Very high97.6Very high1 Ų152.3 Ų52.31%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-113.4125.9-173.6-53.2176.4000108.4V31 I43 V46 M50 L54 V74 V79 V82V31-I52 HydrophobicContact CG1-CD1 4.29Å; V31-I52 HydrophobicContact CG2-CD1 4.14Å; I43-I52 HydrophobicContact CG1-CG2 4.44Å; I43-I52 HydrophobicContact CG2-CG2 4.48Å; V46-I52 HydrophobicContact CG1-CG1 4.33Å; V46-I52 HydrophobicContact CG2-CG1 4.29Å; V46-I52 HydrophobicContact CG2-CG2 4.23Å; M50-I52 WeakPolarHBondContact O-CG1 3.38Å; M50-I52 PolarHBondContact O-N 3.26Å; I52-L54 HydrophobicContact CG2-CD2 3.73Å; I52-L54 HydrophobicContact CG2-CG 3.84Å; I52-V74 PolarHBondContact N-O 2.8Å; I52-V74 PolarHBondContact O-N 3.42Å; I52-V79 HydrophobicContact CD1-CG2 4.13Å; I52-V82 HydrophobicContact CD1-CG2 4.06Å
53R98.2Very high97.6Very high127 Ų12757 Ų5748%0.47926%0.258SS..EExtended strand (participates in β ladder)trans-98.7119.6166.9-168174-169.6171.25.6108.9D44 N45 D71D44-R53 PolarHBondContact N-O 3.37Å; N45-R53 HydrophobicContact CB-CB 4.43Å; N45-R53 PolarHBondContact N-O 3.41Å; N45-R53 PolarHBondContact O-N 3.48Å; R53-D71 WeakPolarHBondContact CG-OD1 3.41Å; R53-D71 IonicContact CZ-OD1 3.91Å; R53-D71 IonicContact CZ-OD2 3.62Å; R53-D71 IonicContact NE-OD1 3.85Å; R53-D71 PolarHBondContact NE-OD1 3.25Å; R53-D71 IonicContact NE-OD2 2.74Å; R53-D71 PolarHBondContact NE-OD2 3.32Å; R53-D71 VanDerWaalsContact NE-OD2 3.12Å; R53-D71 IonicContact NH2-OD1 3.86Å; R53-D71 IonicContact NH2-OD2 3.36Å; R53-D71 PolarHBondContact NH2-OD2 3.31Å
54L98.5Very high97.5Very high0 Ų059.2 Ų59.20%028%0.281CS..EExtended strand (participates in β ladder)trans-110.5140-179.5-64.7171.3000109.9V31 A39 R42 I43 I52 V57 D71 L72 V74V31-L54 HydrophobicContact CG2-CD1 4.2Å; V31-L54 HydrophobicContact CG2-CD2 4.46Å; A39-L54 HydrophobicContact CB-CD1 3.72Å; R42-L54 CarbonylContact O-C 3.55Å; R42-L54 VanDerWaalsContact O-CA 3.23Å; R42-L54 WeakPolarHBondContact O-CA 3.22Å; I43-L54 HydrophobicContact CG1-CD2 3.84Å; I52-L54 HydrophobicContact CG2-CD2 3.73Å; I52-L54 HydrophobicContact CG2-CG 3.84Å; L54-V57 HydrophobicContact CB-CG2 3.43Å; L54-V57 VanDerWaalsContact CB-CG2 3.43Å; L54-D71 CarbonylContact O-C 3.56Å; L54-D71 WeakPolarHBondContact O-CA 3.33Å; L54-L72 HydrophobicContact CB-CB 4.46Å; L54-L72 HydrophobicContact CD1-CD2 4.5Å; L54-L72 PolarHBondContact N-O 2.97Å; L54-L72 PolarHBondContact O-N 3.14Å; L54-V74 HydrophobicContact CD1-CG2 4.32Å
55A98.4Very high97.5Very high8 Ų861.9 Ų61.97%0.06629%0.291CS..EExtended strand (participates in β ladder)trans-113.5152.3172.300000111.6R42 D44 D70R42-A55 PolarHBondContact N-O 3.5Å; R42-A55 PolarHBondContact O-N 3.3Å; D44-A55 VanDerWaalsContact OD2-CB 3.29Å; D44-A55 WeakPolarHBondContact OD2-CB 3.38Å; A55-D70 CarbonylContact C-O 3.59Å; A55-D70 WeakPolarHBondContact CA-O 3.14Å
56K98.3Very high97.6Very high160 Ų16064.9 Ų64.970%0.69630%0.303SS*.EExtended strand (participates in β ladder)trans50.362.9-179.7-59.6-178179.9-178.70111.6D70K56-D70 PolarHBondContact N-O 3.36Å
57V98.6Very high97.7Very high2 Ų268.5 Ų68.51%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-99.6132.5-167.2-169.40000110.8A39 H40 L54 K68 L69 L72A39-V57 HydrophobicContact CB-CG1 4.07Å; H40-V57 CarbonylContact O-C 3.49Å; H40-V57 VanDerWaalsContact O-CA 3.27Å; H40-V57 WeakPolarHBondContact O-CA 3.49Å; L54-V57 HydrophobicContact CB-CG2 3.43Å; L54-V57 VanDerWaalsContact CB-CG2 3.43Å; V57-K68 CarbonylContact O-C 3.52Å; V57-K68 WeakPolarHBondContact O-CA 3.37Å; V57-L69 HydrophobicContact CB-CB 4.46Å; V57-L69 PolarHBondContact N-O 3.04Å; V57-L69 PolarHBondContact O-N 3.02Å; V57-L72 HydrophobicContact CB-CB 4.31Å; V57-L72 HydrophobicContact CG1-CB 4.37Å; V57-L72 HydrophobicContact CG1-CD2 3.91Å; V57-L72 HydrophobicContact CG2-CB 3.9Å
58T98.6Very high97.8Very high39 Ų3975.4 Ų75.424%0.23935%0.353CS..EExtended strand (participates in β ladder)trans-95.5107158.5-57.70000106.9H40 Q66H40-T58 PolarHBondContact N-O 2.94Å; H40-T58 PolarHBondContact O-N 3.06Å; T58-Q66 HydrophobicContact CG2-CB 4.48Å
59Y98.6Very high97.9Very high54 Ų5477.9 Ų77.921%0.21236%0.364CS..EExtended strand (participates in β ladder)trans-94.3130.3176.2-179.9-97.7000109.4L33 S37 V38 A39 D61 Q66 V67 L72L33-Y59 HydrophobicContact CD2-CE2 4.43Å; S37-Y59 WeakPolarHBondContact CB-OH 3.29Å; S37-Y59 PolarHBondContact OG-OH 3.29Å; S37-Y59 VanDerWaalsContact OG-OH 3.07Å; V38-Y59 CarbonylContact O-C 3.58Å; V38-Y59 WeakPolarHBondContact O-CA 3.38Å; A39-Y59 HydrophobicContact CB-CD2 4.24Å; Y59-D61 HydrophobicContact CE1-CB 4.18Å; Y59-Q66 CarbonylContact O-C 3.58Å; Y59-Q66 VanDerWaalsContact O-CA 3.3Å; Y59-Q66 WeakPolarHBondContact O-CA 3.12Å; Y59-V67 PolarHBondContact N-O 3.03Å; Y59-V67 PolarHBondContact O-N 3.44Å; Y59-L72 HydrophobicContact CD2-CD2 3.88Å
60T98.6Very high97.9Very high31 Ų3179.1 Ų79.119%0.1938%0.377CS..EExtended strand (participates in β ladder)trans-116121.4175.2-50.10000107.8S37 V38 H65 Q66S37-T60 CarbonylContact C-O 3.53Å; S37-T60 WeakPolarHBondContact CA-O 3.2Å; S37-T60 WeakPolarHBondContact CB-O 3.46Å; V38-T60 PolarHBondContact N-O 2.85Å; V38-T60 PolarHBondContact O-N 3.06Å; T60-H65 WeakPolarHBondContact CA-O 3.38Å; T60-Q66 HydrophobicContact CG2-CG 4.04Å
61D97.5Very high98Very high34 Ų3479.2 Ų79.218%0.18238%0.379CS..  trans-71.8171.1174.173.816.1000111.7Y59 W63 G64 H65Y59-D61 HydrophobicContact CE1-CB 4.18Å; D61-W63 HydrophobicContact CB-CE3 4.36Å; D61-W63 PolarHBondContact O-N 3.26Å; D61-W63 VanDerWaalsContact O-N 3.09Å; D61-W63 VanDerWaalsContact OD1-C 3.25Å; D61-W63 VanDerWaalsContact OD1-CA 3.27Å; D61-W63 WeakPolarHBondContact OD1-CA 3.36Å; D61-W63 WeakPolarHBondContact OD1-CB 3.4Å; D61-W63 PolarHBondContact OD1-N 3.41Å; D61-G64 PolarHBondContact O-N 3.3Å; D61-G64 PolarHBondContact OD1-N 3.11Å; D61-H65 PolarHBondContact N-O 3.06Å; D61-H65 IonicContact OD1-CG 3.52Å; D61-H65 PolarHBondContact OD1-N 3.04Å; D61-H65 IonicContact OD1-ND1 2.91Å; D61-H65 WeakPolarHBondContact OD2-CB 3.35Å; D61-H65 IonicContact OD2-CG 3.8Å; D61-H65 IonicContact OD2-ND1 3.48Å; D61-H65 PolarHBondContact OD2-ND1 2.96Å
62R96.4Very high98Very high130 Ų13079 Ų7949%0.49138%0.377SS..THydrogen-bonded Turntrans-59.7-17.5176.774.3-17674.8-179.92.1114.8D35 E36D35-R62 WeakPolarHBondContact O-CB 3.41Å; D35-R62 IonicContact OD2-CZ 3.69Å; D35-R62 IonicContact OD2-NE 2.84Å; D35-R62 IonicContact OD2-NH2 3.52Å; D35-R62 PolarHBondContact OD2-NH2 3.23Å; E36-R62 HydrophobicContact CB-CB 4.45Å
63W97Very high98Very high195 Ų19584.8 Ų84.874%0.73940%0.403SS*.THydrogen-bonded Turntrans-96.3-2179-58.7-70.1000112.2D61D61-W63 HydrophobicContact CB-CE3 4.36Å; D61-W63 PolarHBondContact O-N 3.26Å; D61-W63 VanDerWaalsContact O-N 3.09Å; D61-W63 VanDerWaalsContact OD1-C 3.25Å; D61-W63 VanDerWaalsContact OD1-CA 3.27Å; D61-W63 WeakPolarHBondContact OD1-CA 3.36Å; D61-W63 WeakPolarHBondContact OD1-CB 3.4Å; D61-W63 PolarHBondContact OD1-N 3.41Å
64G95.9Very high98Very high47 Ų4779.1 Ų79.149%0.48538%0.382SS..  trans90.73.617900000114.9D61 Q66D61-G64 PolarHBondContact O-N 3.3Å; D61-G64 PolarHBondContact OD1-N 3.11Å; G64-Q66 PolarHBondContact O-N 3.45Å
65H97.9Very high98Very high121 Ų12181.8 Ų81.856%0.5640%0.398SS*.  trans-73.6130.6175.7-52117000110.6T60 D61T60-H65 WeakPolarHBondContact CA-O 3.38Å; D61-H65 PolarHBondContact N-O 3.06Å; D61-H65 IonicContact OD1-CG 3.52Å; D61-H65 PolarHBondContact OD1-N 3.04Å; D61-H65 IonicContact OD1-ND1 2.91Å; D61-H65 WeakPolarHBondContact OD2-CB 3.35Å; D61-H65 IonicContact OD2-CG 3.8Å; D61-H65 IonicContact OD2-ND1 3.48Å; D61-H65 PolarHBondContact OD2-ND1 2.96Å
66Q98.1Very high98Very high141 Ų14181.9 Ų81.966%0.65940%0.4SS*.EExtended strand (participates in β ladder)trans-102.6132.9-178.9-64.2-174.411.300111.6T58 Y59 T60 G64T58-Q66 HydrophobicContact CG2-CB 4.48Å; Y59-Q66 CarbonylContact O-C 3.58Å; Y59-Q66 VanDerWaalsContact O-CA 3.3Å; Y59-Q66 WeakPolarHBondContact O-CA 3.12Å; T60-Q66 HydrophobicContact CG2-CG 4.04Å; G64-Q66 PolarHBondContact O-N 3.45Å
67V98.3Very high97.9Very high76 Ų7683.6 Ų83.646%0.46140%0.402SS..EExtended strand (participates in β ladder)trans-129130.7174.7-176.60000108.7Y59 L69Y59-V67 PolarHBondContact N-O 3.03Å; Y59-V67 PolarHBondContact O-N 3.44Å; V67-L69 HydrophobicContact CG1-CD2 3.83Å; V67-L69 HydrophobicContact CG1-CG 4.25Å
68K98.4Very high97.9Very high181 Ų18187 Ų8779%0.78742%0.42SS*.EExtended strand (participates in β ladder)trans-87.6129.7172.8-65.8-176.8-178.5178.20109.4V57V57-K68 CarbonylContact O-C 3.52Å; V57-K68 WeakPolarHBondContact O-CA 3.37Å
69L98.3Very high97.9Very high59 Ų5985.6 Ų85.631%0.30941%0.411SS..EExtended strand (participates in β ladder)trans-128.4142-178.5-58.2173.1000109.2V57 V67 L72V57-L69 HydrophobicContact CB-CB 4.46Å; V57-L69 PolarHBondContact N-O 3.04Å; V57-L69 PolarHBondContact O-N 3.02Å; V67-L69 HydrophobicContact CG1-CD2 3.83Å; V67-L69 HydrophobicContact CG1-CG 4.25Å; L69-L72 HydrophobicContact CD1-CB 4.49Å; L69-L72 HydrophobicContact CD1-CD1 3.96Å
70D98Very high97.9Very high147 Ų14788.6 Ų88.679%0.78642%0.422SS*.EExtended strand (participates in β ladder)trans-76.1-35.5176.5-69.8-39.5000112.3A55 K56A55-D70 CarbonylContact C-O 3.59Å; A55-D70 WeakPolarHBondContact CA-O 3.14Å; K56-D70 PolarHBondContact N-O 3.36Å
71D98.1Very high97.9Very high72 Ų7293 Ų9339%0.38544%0.437SS..EExtended strand (participates in β ladder)trans-140.8138.5179.9-171.143.3000109.2R53 L54R53-D71 WeakPolarHBondContact CG-OD1 3.41Å; R53-D71 IonicContact CZ-OD1 3.91Å; R53-D71 IonicContact CZ-OD2 3.62Å; R53-D71 IonicContact NE-OD1 3.85Å; R53-D71 PolarHBondContact NE-OD1 3.25Å; R53-D71 IonicContact NE-OD2 2.74Å; R53-D71 PolarHBondContact NE-OD2 3.32Å; R53-D71 VanDerWaalsContact NE-OD2 3.12Å; R53-D71 IonicContact NH2-OD1 3.86Å; R53-D71 IonicContact NH2-OD2 3.36Å; R53-D71 PolarHBondContact NH2-OD2 3.31Å; L54-D71 CarbonylContact O-C 3.56Å; L54-D71 WeakPolarHBondContact O-CA 3.33Å
72L98.4Very high97.9Very high33 Ų3392.8 Ų92.817%0.17344%0.436CS..EExtended strand (participates in β ladder)trans-139.5130.4175.2-179.168.7000109.7A39 L54 V57 Y59 L69 V74A39-L72 HydrophobicContact CB-CD2 3.69Å; L54-L72 HydrophobicContact CB-CB 4.46Å; L54-L72 HydrophobicContact CD1-CD2 4.5Å; L54-L72 PolarHBondContact N-O 2.97Å; L54-L72 PolarHBondContact O-N 3.14Å; V57-L72 HydrophobicContact CB-CB 4.31Å; V57-L72 HydrophobicContact CG1-CB 4.37Å; V57-L72 HydrophobicContact CG1-CD2 3.91Å; V57-L72 HydrophobicContact CG2-CB 3.9Å; Y59-L72 HydrophobicContact CD2-CD2 3.88Å; L69-L72 HydrophobicContact CD1-CB 4.49Å; L69-L72 HydrophobicContact CD1-CD1 3.96Å; L72-V74 HydrophobicContact CD2-CG2 4.02Å; L72-V74 HydrophobicContact CG-CG2 4.16Å
73F98.4Very high98Very high124 Ų12490.8 Ų90.854%0.54443%0.432SS..EExtended strand (participates in β ladder)trans-106.6118.8173.4-178.3-100.3000110.5N51 T75N51-F73 HydrophobicContact CB-CE2 3.82Å; N51-F73 HydrophobicContact CB-CZ 3.59Å; F73-T75 HydrophobicContact CE1-CG2 4.16Å
74V98.1Very high98Very high7 Ų784.2 Ų84.24%0.04241%0.411CS..EExtended strand (participates in β ladder)trans-105.8123.3178.2-177.80000109L33 N51 I52 L54 L72 V79L33-V74 HydrophobicContact CD2-CG1 4.33Å; L33-V74 HydrophobicContact CG-CG1 4.28Å; N51-V74 WeakPolarHBondContact CA-O 3.4Å; I52-V74 PolarHBondContact N-O 2.8Å; I52-V74 PolarHBondContact O-N 3.42Å; L54-V74 HydrophobicContact CD1-CG2 4.32Å; L72-V74 HydrophobicContact CD2-CG2 4.02Å; L72-V74 HydrophobicContact CG-CG2 4.16Å; V74-V79 HydrophobicContact CG1-CG2 3.79Å
75T98.1Very high98Very high57 Ų5783.3 Ų83.335%0.3540%0.396SS..  trans-71134.9174.458.20000110.5N51 F73 R77 N78N51-T75 WeakPolarHBondContact OD1-CA 3.46Å; F73-T75 HydrophobicContact CE1-CG2 4.16Å; T75-R77 PolarHBondContact O-N 3.15Å; T75-R77 VanDerWaalsContact O-N 3.13Å; T75-N78 PolarHBondContact O-N 3.23Å; T75-N78 PolarHBondContact OG1-ND2 2.89Å; T75-N78 VanDerWaalsContact OG1-ND2 3.09Å
76G97.5Very high97.9Very high9 Ų985.7 Ų85.79%0.09341%0.413CS..G310 helixtrans-58.9-31.6-174.700000114.7M50 N51 N78 V79M50-G76 VanDerWaalsContact C-CA 3.42Å; M50-G76 WeakPolarHBondContact O-CA 3.43Å; M50-G76 PolarHBondContact O-N 3.43Å; N51-G76 PolarHBondContact OD1-N 3.21Å; G76-N78 PolarHBondContact O-N 3.13Å; G76-N78 VanDerWaalsContact O-N 3.16Å; G76-V79 PolarHBondContact O-N 2.71Å; G76-V79 VanDerWaalsContact O-N 3.15Å
77R97.8Very high97.8Very high197 Ų19784.4 Ų84.474%0.74341%0.411SS*.G310 helixtrans-60.8-24.8174.4-174.6173.4-177.3-111.52.9113.2R34 T75R34-R77 WeakPolarHBondContact CD-O 3.31Å; R34-R77 PolarHBondContact NE-O 3.34Å; R34-R77 PolarHBondContact NH1-O 3.17Å; T75-R77 PolarHBondContact O-N 3.15Å; T75-R77 VanDerWaalsContact O-N 3.13Å
78N98Very high97.7Very high72 Ų7281.4 Ų81.439%0.38539%0.393SS..G310 helixtrans-95.4-0.5-178.5-68.1-16.1000113L33 R34 T75 G76L33-N78 CarbonylContact C-O 3.58Å; L33-N78 WeakPolarHBondContact CA-O 3.41Å; R34-N78 PolarHBondContact N-O 3.29Å; T75-N78 PolarHBondContact O-N 3.23Å; T75-N78 PolarHBondContact OG1-ND2 2.89Å; T75-N78 VanDerWaalsContact OG1-ND2 3.09Å; G76-N78 PolarHBondContact O-N 3.13Å; G76-N78 VanDerWaalsContact O-N 3.16Å
79V98.3Very high97.7Very high11 Ų1177.5 Ų77.57%0.06738%0.38CS..EExtended strand (participates in β ladder)trans-78.8137.3176.2-179.60000109.8V31 R34 M50 I52 V74 G76 V82V31-V79 HydrophobicContact CG1-CG1 4.1Å; V31-V79 HydrophobicContact CG1-CG2 4.24Å; R34-V79 PolarHBondContact NE-O 3.05Å; M50-V79 HydrophobicContact CG-CG2 4.48Å; M50-V79 HydrophobicContact SD-CB 4.03Å; M50-V79 HydrophobicContact SD-CG1 3.97Å; I52-V79 HydrophobicContact CD1-CG2 4.13Å; V74-V79 HydrophobicContact CG1-CG2 3.79Å; G76-V79 PolarHBondContact O-N 2.71Å; G76-V79 VanDerWaalsContact O-N 3.15Å; V79-V82 HydrophobicContact CG1-CG2 3.79Å
80R98.1Very high97.7Very high117 Ų11778.5 Ų78.544%0.44239%0.385SS..EExtended strand (participates in β ladder)trans-116.4-51.3172-175.2169.164.4113.7-2.3111.5D32 R34D32-R80 WeakPolarHBondContact O-CA 3.36Å; D32-R80 WeakPolarHBondContact O-CB 3.48Å; D32-R80 PolarHBondContact O-N 2.88Å; R34-R80 HydrophobicContact CG-CB 4.12Å
81Y98.4Very high97.7Very high124 Ų12475.6 Ų75.649%0.48637%0.373SS..EExtended strand (participates in β ladder)trans-130146.7175.4-54.7-51.5000111.3V31 D32V31-Y81 CarbonylContact C-O 3.44Å; V31-Y81 WeakPolarHBondContact CA-O 3.14Å; D32-Y81 HydrophobicContact CB-CD2 4.09Å; D32-Y81 PolarHBondContact N-O 3.11Å; D32-Y81 PolarHBondContact O-N 3.13Å; D32-Y81 VanDerWaalsContact O-N 3.09Å
82V98.3Very high97.7Very high29 Ų2974 Ų7418%0.17637%0.367CS..EExtended strand (participates in β ladder)trans-123117.8164.3-176.80000106.7L21 V31 I52 V79 I84L21-V82 HydrophobicContact CD1-CB 4.49Å; L21-V82 HydrophobicContact CD1-CG2 3.95Å; L21-V82 HydrophobicContact CD2-CB 3.89Å; L21-V82 HydrophobicContact CD2-CG1 3.69Å; L21-V82 HydrophobicContact CD2-CG2 4.24Å; V31-V82 HydrophobicContact CG1-CG2 4.41Å; V31-V82 HydrophobicContact CG2-CG1 4.38Å; V31-V82 HydrophobicContact CG2-CG2 4.37Å; I52-V82 HydrophobicContact CD1-CG2 4.06Å; V79-V82 HydrophobicContact CG1-CG2 3.79Å; V82-I84 PolarHBondContact O-N 3.17Å
83H98.4Very high97.6Very high88 Ų8872.7 Ų72.741%0.40736%0.361SS..  trans-77.1109.3-179.8-66.2-98.2000108.8T29 T30 D32T29-H83 WeakPolarHBondContact CB-O 3.4Å; T30-H83 WeakPolarHBondContact O-CB 3.36Å; T30-H83 PolarHBondContact O-CD2 3.16Å; T30-H83 VanDerWaalsContact O-CD2 3.26Å; T30-H83 PolarHBondContact O-N 2.83Å; D32-H83 IonicContact OD1-NE2 2.99Å; D32-H83 PolarHBondContact OD1-NE2 3.37Å; D32-H83 IonicContact OD2-CD2 3.83Å; D32-H83 IonicContact OD2-CE1 2.97Å; D32-H83 IonicContact OD2-NE2 3.12Å; D32-H83 PolarHBondContact OD2-NE2 3.46Å
84I97.2Very high97.6Very high56 Ų5668.5 Ų68.529%0.28734%0.344SS..  trans-77.1129.1178.2-57.4174.8000108L20 L24 V82 V88 I90L20-I84 HydrophobicContact CD2-CD1 3.79Å; L24-I84 HydrophobicContact CD1-CG1 4.28Å; L24-I84 HydrophobicContact CD1-CG2 4.48Å; L24-I84 HydrophobicContact CD2-CG2 4.46Å; V82-I84 PolarHBondContact O-N 3.17Å; I84-V88 HydrophobicContact CG2-CB 3.74Å; I84-V88 HydrophobicContact CG2-CG1 4.09Å; I84-V88 HydrophobicContact CG2-CG2 4.15Å; I84-I90 HydrophobicContact CD1-CD1 4.24Å; I84-I90 HydrophobicContact CD1-CG1 4.36Å
85P96.4Very high97.6Very high28 Ų2873.2 Ų73.218%0.18237%0.365CS..  trans-62.3147.5177.7-23.735.7000112.6R27 T29 D87 V88R27-P85 HydrophobicContact CB-CG 4.42Å; T29-P85 HydrophobicContact CG2-CG 3.8Å; P85-D87 VanDerWaalsContact CB-OD1 3.26Å; P85-D87 WeakPolarHBondContact CB-OD1 3.26Å; P85-D87 PolarHBondContact O-N 3.33Å; P85-V88 HydrophobicContact CB-CG2 3.96Å; P85-V88 HydrophobicContact CG-CG2 4.24Å; P85-V88 WeakPolarHBondContact O-CB 3.45Å; P85-V88 WeakPolarHBondContact O-CG2 3.35Å; P85-V88 PolarHBondContact O-N 2.92Å
86D95.7Very high97.5Very high172 Ų17275.3 Ų75.392%0.9237%0.371SS*.THydrogen-bonded Turntrans-65.4-25.1-172.2-60.1-35.1000113.6V88D86-V88 PolarHBondContact O-N 3.47Å
87D95.9Very high97.4Very high113 Ų11375.1 Ų75.160%0.60437%0.368SS*.THydrogen-bonded Turntrans-75-6.6176.969.1-63.2000113.2R27 P85 N89R27-D87 IonicContact CZ-OD2 3.47Å; R27-D87 IonicContact NE-OD2 2.8Å; R27-D87 PolarHBondContact NE-OD2 2.99Å; R27-D87 IonicContact NH2-OD2 3.57Å; R27-D87 PolarHBondContact NH2-OD2 3.46Å; P85-D87 VanDerWaalsContact CB-OD1 3.26Å; P85-D87 WeakPolarHBondContact CB-OD1 3.26Å; P85-D87 PolarHBondContact O-N 3.33Å; D87-N89 PolarHBondContact O-N 3.27Å
88V96.6Very high97.3Very high14 Ų1468.7 Ų68.79%0.08535%0.348CS..  trans-89.1111.9-176.1-171.90000111.3L24 R27 I84 P85 D86 I90 T93L24-V88 HydrophobicContact CD2-CB 4.42Å; L24-V88 HydrophobicContact CD2-CG1 3.81Å; L24-V88 HydrophobicContact CD2-CG2 3.94Å; R27-V88 VanDerWaalsContact NH1-CG2 3.27Å; I84-V88 HydrophobicContact CG2-CB 3.74Å; I84-V88 HydrophobicContact CG2-CG1 4.09Å; I84-V88 HydrophobicContact CG2-CG2 4.15Å; P85-V88 HydrophobicContact CB-CG2 3.96Å; P85-V88 HydrophobicContact CG-CG2 4.24Å; P85-V88 WeakPolarHBondContact O-CB 3.45Å; P85-V88 WeakPolarHBondContact O-CG2 3.35Å; P85-V88 PolarHBondContact O-N 2.92Å; D86-V88 PolarHBondContact O-N 3.47Å; V88-I90 PolarHBondContact O-N 3.43Å; V88-T93 VanDerWaalsContact CG1-OG1 3.27Å; V88-T93 WeakPolarHBondContact CG1-OG1 3.27Å
89N97.9Very high97.2Very high98 Ų9871.5 Ų71.552%0.52436%0.359SS..  trans-77108.8161.3-180-43.9000109.8D87 T91 S92 T93D87-N89 PolarHBondContact O-N 3.27Å; N89-T91 PolarHBondContact O-N 3.28Å; N89-T91 PolarHBondContact OD1-N 3.26Å; N89-S92 VanDerWaalsContact CB-OG 3.29Å; N89-S92 WeakPolarHBondContact CB-OG 3.35Å; N89-S92 PolarHBondContact O-N 3.05Å; N89-S92 PolarHBondContact O-OG 2.84Å; N89-S92 PolarHBondContact OD1-N 3.09Å; N89-S92 PolarHBondContact OD1-OG 3.46Å; N89-T93 WeakPolarHBondContact O-CB 3.35Å; N89-T93 PolarHBondContact O-N 3.21Å; N89-T93 PolarHBondContact O-OG1 3.04Å
90I97.7Very high96.9Very high80 Ų8073.9 Ų73.941%0.4137%0.371SS..Hα-helixtrans-53.7-55.4-175.4-61.3173.9000111.5L20 I84 V88 S92 T93 I94L20-I90 HydrophobicContact CD1-CB 4.3Å; L20-I90 HydrophobicContact CD1-CG2 3.74Å; L20-I90 HydrophobicContact CD2-CG2 3.78Å; L20-I90 HydrophobicContact CG-CG2 4.41Å; I84-I90 HydrophobicContact CD1-CD1 4.24Å; I84-I90 HydrophobicContact CD1-CG1 4.36Å; V88-I90 PolarHBondContact O-N 3.43Å; I90-S92 PolarHBondContact O-N 3.19Å; I90-T93 PolarHBondContact O-N 2.61Å; I90-I94 HydrophobicContact CG2-CD1 4.01Å; I90-I94 WeakPolarHBondContact O-CG1 3.36Å; I90-I94 PolarHBondContact O-N 3.21Å
91T98Very high96.7Very high86 Ų8668.4 Ų68.453%0.52835%0.35SS..Hα-helixtrans-60.5-47.8-176-53.80000111.1N89 T93 I94 E95N89-T91 PolarHBondContact O-N 3.28Å; N89-T91 PolarHBondContact OD1-N 3.26Å; T91-T93 VanDerWaalsContact C-N 3.27Å; T91-T93 PolarHBondContact O-N 3.43Å; T91-I94 PolarHBondContact O-N 3.12Å; T91-E95 WeakPolarHBondContact O-CG 3.32Å; T91-E95 PolarHBondContact O-N 3.31Å
92S97.9Very high96.4Very high38 Ų3867.7 Ų67.727%0.26635%0.351SS..Hα-helixtrans-62.8-35.1179.7720000112.7N89 I90 E95 Q96N89-S92 VanDerWaalsContact CB-OG 3.29Å; N89-S92 WeakPolarHBondContact CB-OG 3.35Å; N89-S92 PolarHBondContact O-N 3.05Å; N89-S92 PolarHBondContact O-OG 2.84Å; N89-S92 PolarHBondContact OD1-N 3.09Å; N89-S92 PolarHBondContact OD1-OG 3.46Å; I90-S92 PolarHBondContact O-N 3.19Å; S92-E95 PolarHBondContact O-N 2.95Å; S92-Q96 WeakPolarHBondContact O-CB 3.41Å; S92-Q96 WeakPolarHBondContact O-CG 3.33Å; S92-Q96 PolarHBondContact O-N 3.26Å
93T97.2Very high96Very high6 Ų675 Ų754%0.03738%0.375CS..Hα-helixtrans-68.4-42.5179-57.40000110.6L20 V88 N89 I90 T91 Q96 Q97L20-T93 HydrophobicContact CD1-CG2 4.33Å; V88-T93 VanDerWaalsContact CG1-OG1 3.27Å; V88-T93 WeakPolarHBondContact CG1-OG1 3.27Å; N89-T93 WeakPolarHBondContact O-CB 3.35Å; N89-T93 PolarHBondContact O-N 3.21Å; N89-T93 PolarHBondContact O-OG1 3.04Å; I90-T93 PolarHBondContact O-N 2.61Å; T91-T93 VanDerWaalsContact C-N 3.27Å; T91-T93 PolarHBondContact O-N 3.43Å; T93-Q96 PolarHBondContact O-N 3.1Å; T93-Q97 WeakPolarHBondContact O-CG 3.42Å; T93-Q97 PolarHBondContact O-N 3.32Å; T93-Q97 VanDerWaalsContact O-N 3.11Å
94I97.7Very high95.6Very high36 Ų3674 Ų7419%0.18538%0.375CS..Hα-helixtrans-61.8-49.1175-67.9169.6000110.3I19 L20 I90 T91 Q96 Q97 L98I19-I94 HydrophobicContact CG2-CG1 4.38Å; I19-I94 HydrophobicContact CG2-CG2 4.1Å; L20-I94 HydrophobicContact CB-CD1 4.21Å; L20-I94 HydrophobicContact CB-CG1 3.93Å; L20-I94 HydrophobicContact CD1-CD1 4.26Å; L20-I94 HydrophobicContact CD1-CG1 3.91Å; L20-I94 HydrophobicContact CG-CG1 4.46Å; I90-I94 HydrophobicContact CG2-CD1 4.01Å; I90-I94 WeakPolarHBondContact O-CG1 3.36Å; I90-I94 PolarHBondContact O-N 3.21Å; T91-I94 PolarHBondContact O-N 3.12Å; I94-Q96 VanDerWaalsContact C-N 3.32Å; I94-Q96 PolarHBondContact O-N 2.92Å; I94-Q97 PolarHBondContact O-N 3.11Å; I94-Q97 VanDerWaalsContact O-N 3.16Å; I94-L98 HydrophobicContact CG2-CD1 3.86Å; I94-L98 HydrophobicContact CG2-CG 4.3Å; I94-L98 WeakPolarHBondContact O-CG 3.45Å; I94-L98 PolarHBondContact O-N 3.02Å
95E97.7Very high95.1Very high106 Ų10677 Ų7750%0.49538%0.383SS..Hα-helixtrans-58.2-44179.1-73.3174.2176.400112T91 S92 Q97 L98 Q99T91-E95 WeakPolarHBondContact O-CG 3.32Å; T91-E95 PolarHBondContact O-N 3.31Å; S92-E95 PolarHBondContact O-N 2.95Å; E95-Q97 PolarHBondContact O-N 3.06Å; E95-L98 PolarHBondContact O-N 2.94Å; E95-Q99 VanDerWaalsContact O-CG 3.29Å; E95-Q99 WeakPolarHBondContact O-CG 3.49Å; E95-Q99 PolarHBondContact O-N 3.41Å
96Q96.5Very high94.6Very high102 Ų10280.3 Ų80.348%0.47740%0.399SS..Hα-helixtrans-58.7-46.6175.5-75.2169.44.200111.7S92 T93 I94 Q99 I100S92-Q96 WeakPolarHBondContact O-CB 3.41Å; S92-Q96 WeakPolarHBondContact O-CG 3.33Å; S92-Q96 PolarHBondContact O-N 3.26Å; T93-Q96 PolarHBondContact O-N 3.1Å; I94-Q96 VanDerWaalsContact C-N 3.32Å; I94-Q96 PolarHBondContact O-N 2.92Å; Q96-Q99 PolarHBondContact O-N 2.89Å; Q96-I100 VanDerWaalsContact O-CG1 3.31Å; Q96-I100 WeakPolarHBondContact O-CG1 3.43Å; Q96-I100 PolarHBondContact O-N 3.15Å; Q96-I100 VanDerWaalsContact O-N 3.15Å
97Q95.7Very high93.9Very high4 Ų479.9 Ų79.92%0.01939%0.389CS..Hα-helixtrans-64.6-42.1178.2-67.8-47.9-58.400112.4M1 I19 T93 I94 E95 Q99 I100 I101M1-Q97 PolarHBondContact SD-NE2 3.42Å; I19-Q97 HydrophobicContact CD1-CB 3.69Å; I19-Q97 HydrophobicContact CG1-CB 3.37Å; I19-Q97 HydrophobicContact CG1-CG 4.06Å; T93-Q97 WeakPolarHBondContact O-CG 3.42Å; T93-Q97 PolarHBondContact O-N 3.32Å; T93-Q97 VanDerWaalsContact O-N 3.11Å; I94-Q97 PolarHBondContact O-N 3.11Å; I94-Q97 VanDerWaalsContact O-N 3.16Å; E95-Q97 PolarHBondContact O-N 3.06Å; Q97-Q99 VanDerWaalsContact C-N 3.31Å; Q97-Q99 PolarHBondContact O-N 3.19Å; Q97-I100 PolarHBondContact O-N 3Å; Q97-I101 PolarHBondContact O-N 3.47Å
98L95.9Very high92.5Very high62 Ų6277.8 Ų77.833%0.32539%0.394SS..Hα-helixtrans-60.7-40.8176.4-71173.5000111.7E14 I19 I94 E95 I100 I101 H102E14-L98 HydrophobicContact CB-CD2 4.44Å; E14-L98 HydrophobicContact CG-CD2 3.75Å; I19-L98 HydrophobicContact CD1-CD2 3.48Å; I19-L98 VanDerWaalsContact CD1-CD2 3.48Å; I19-L98 HydrophobicContact CD1-CG 3.78Å; I94-L98 HydrophobicContact CG2-CD1 3.86Å; I94-L98 HydrophobicContact CG2-CG 4.3Å; I94-L98 WeakPolarHBondContact O-CG 3.45Å; I94-L98 PolarHBondContact O-N 3.02Å; E95-L98 PolarHBondContact O-N 2.94Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-I100 PolarHBondContact O-N 3.46Å; L98-I101 PolarHBondContact O-N 3.16Å; L98-H102 WeakPolarHBondContact O-CB 3.43Å; L98-H102 PolarHBondContact O-N 3.47Å
99Q95.4Very high91.2Very high132 Ų13278.7 Ų78.762%0.61741%0.407SS*.Hα-helixtrans-61.5-40.6175.4-74.51750.400112.2E95 Q96 Q97 H102 R103E95-Q99 VanDerWaalsContact O-CG 3.29Å; E95-Q99 WeakPolarHBondContact O-CG 3.49Å; E95-Q99 PolarHBondContact O-N 3.41Å; Q96-Q99 PolarHBondContact O-N 2.89Å; Q97-Q99 VanDerWaalsContact C-N 3.31Å; Q97-Q99 PolarHBondContact O-N 3.19Å; Q99-H102 PolarHBondContact O-N 2.96Å; Q99-R103 WeakPolarHBondContact O-CB 3.39Å; Q99-R103 PolarHBondContact O-N 3.39Å
100I93.3Very high90Very high61 Ų6184.6 Ų84.631%0.31343%0.428SS..Hα-helixtrans-63.8-46.2176.4-58.2165.5000109.7L3 Q96 Q97 L98 H102 R103 V104L3-I100 HydrophobicContact CD1-CB 4.18Å; L3-I100 HydrophobicContact CD1-CG2 3.4Å; L3-I100 HydrophobicContact CG-CG2 3.99Å; Q96-I100 VanDerWaalsContact O-CG1 3.31Å; Q96-I100 WeakPolarHBondContact O-CG1 3.43Å; Q96-I100 PolarHBondContact O-N 3.15Å; Q96-I100 VanDerWaalsContact O-N 3.15Å; Q97-I100 PolarHBondContact O-N 3Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-I100 PolarHBondContact O-N 3.46Å; I100-H102 VanDerWaalsContact C-N 3.34Å; I100-H102 PolarHBondContact O-N 3.35Å; I100-R103 PolarHBondContact O-N 2.93Å; I100-V104 WeakPolarHBondContact O-CG2 3.39Å; I100-V104 PolarHBondContact O-N 3.48Å
101I92.8Very high88.5Confident1 Ų182.9 Ų82.91%0.00543%0.43CS..Hα-helixtrans-59.9-44.9177.6-66.7174.3000110.9L3 E14 I19 Q97 L98 R103 V104 R105L3-I101 HydrophobicContact CD1-CG1 3.93Å; L3-I101 HydrophobicContact CD2-CD1 4.43Å; L3-I101 HydrophobicContact CD2-CG1 3.84Å; E14-I101 HydrophobicContact CB-CD1 4.23Å; I19-I101 HydrophobicContact CD1-CD1 3.73Å; Q97-I101 PolarHBondContact O-N 3.47Å; L98-I101 PolarHBondContact O-N 3.16Å; I101-R103 PolarHBondContact O-N 3.11Å; I101-V104 PolarHBondContact O-N 2.8Å; I101-R105 WeakPolarHBondContact O-CB 3.18Å; I101-R105 PolarHBondContact O-N 2.94Å
102H92.3Very high87.2Confident110 Ų11087 Ų8751%0.50944%0.443SS..Hα-helixtrans-59.8-45177.4-175.484.7000111.9L98 Q99 I100 V104 R105 N106L98-H102 WeakPolarHBondContact O-CB 3.43Å; L98-H102 PolarHBondContact O-N 3.47Å; Q99-H102 PolarHBondContact O-N 2.96Å; I100-H102 VanDerWaalsContact C-N 3.34Å; I100-H102 PolarHBondContact O-N 3.35Å; H102-V104 PolarHBondContact O-N 3.32Å; H102-R105 PolarHBondContact O-N 3.47Å; H102-N106 PolarHBondContact CE1-ND2 2.81Å; H102-N106 PolarHBondContact NE2-ND2 3.2Å; H102-N106 WeakPolarHBondContact O-CB 3.47Å; H102-N106 PolarHBondContact O-N 3.31Å
103R90.3Very high86.1Confident182 Ų18287.8 Ų87.869%0.68746%0.457SS*.Hα-helixtrans-61.4-42.9176.9-175.6179.1178.6-175.40.5111.9Q99 I100 I101 N106 F107Q99-R103 WeakPolarHBondContact O-CB 3.39Å; Q99-R103 PolarHBondContact O-N 3.39Å; I100-R103 PolarHBondContact O-N 2.93Å; I101-R103 PolarHBondContact O-N 3.11Å; R103-N106 CarbonylContact O-C 3.54Å; R103-F107 WeakPolarHBondContact O-CA 3.29Å; R103-F107 WeakPolarHBondContact O-CB 3.43Å; R103-F107 PolarHBondContact O-N 3.03Å
104V88.7Confident85Confident67 Ų6798.8 Ų98.841%0.40650%0.498SS..Hα-helixtrans-69.1-37.3179.21770000111.4L3 R10 I100 I101 H102 N106 F107L3-V104 HydrophobicContact CD1-CB 4.49Å; L3-V104 HydrophobicContact CD1-CG2 3.92Å; R10-V104 VanDerWaalsContact NH1-CG1 3.3Å; I100-V104 WeakPolarHBondContact O-CG2 3.39Å; I100-V104 PolarHBondContact O-N 3.48Å; I101-V104 PolarHBondContact O-N 2.8Å; H102-V104 PolarHBondContact O-N 3.32Å; V104-N106 VanDerWaalsContact C-N 3.35Å; V104-F107 WeakPolarHBondContact O-CB 3.29Å; V104-F107 PolarHBondContact O-N 2.85Å
105R87.4Confident83.3Confident120 Ų120106.1 Ų106.145%0.45352%0.523SS..Hα-helixtrans-63.9-41.2176.3-178.8179.1-63.214211.7112.1E14 I101 H102 F107E14-R105 VanDerWaalsContact CD-NH2 3.28Å; E14-R105 IonicContact OE1-CZ 3.29Å; E14-R105 IonicContact OE1-NH1 2.8Å; E14-R105 PolarHBondContact OE1-NH1 2.96Å; E14-R105 IonicContact OE1-NH2 3.97Å; E14-R105 PolarHBondContact OE1-NH2 3.24Å; E14-R105 IonicContact OE2-CZ 2.84Å; E14-R105 IonicContact OE2-NH1 2.89Å; E14-R105 IonicContact OE2-NH2 3.58Å; E14-R105 PolarHBondContact OE2-NH2 3.06Å; I101-R105 WeakPolarHBondContact O-CB 3.18Å; I101-R105 PolarHBondContact O-N 2.94Å; H102-R105 PolarHBondContact O-N 3.47Å; R105-F107 VanDerWaalsContact C-N 3.32Å
106N86.3Confident81.9Confident96 Ų96108.7 Ų108.751%0.51354%0.535SS..THydrogen-bonded Turntrans-96.214.5-177.9-60.7-22.7000112.3H102 R103 V104 G108H102-N106 PolarHBondContact CE1-ND2 2.81Å; H102-N106 PolarHBondContact NE2-ND2 3.2Å; H102-N106 WeakPolarHBondContact O-CB 3.47Å; H102-N106 PolarHBondContact O-N 3.31Å; R103-N106 CarbonylContact O-C 3.54Å; V104-N106 VanDerWaalsContact C-N 3.35Å; N106-G108 PolarHBondContact O-N 3.38Å
107F80.2Confident80.6Confident163 Ų163111.5 Ų111.572%0.71555%0.546SS*.  trans-72.5111.7-177.7-170.7-98.2000110.2R103 V104 R105R103-F107 WeakPolarHBondContact O-CA 3.29Å; R103-F107 WeakPolarHBondContact O-CB 3.43Å; R103-F107 PolarHBondContact O-N 3.03Å; V104-F107 WeakPolarHBondContact O-CB 3.29Å; V104-F107 PolarHBondContact O-N 2.85Å; R105-F107 VanDerWaalsContact C-N 3.32Å
108G67.1Low79.1Confident69 Ų69117.1 Ų117.171%0.71158%0.583SS**  trans111.9120.8172.800000113.3N106N106-G108 PolarHBondContact O-N 3.38Å
109G69.6Low77.6Confident34 Ų34118.3 Ų118.335%0.35160%0.597SS.*  trans-117.3147.6158.500000108.7G111 Q112G109-G111 PolarHBondContact O-N 3.44Å; G109-Q112 PolarHBondContact O-N 3.26Å; G109-Q112 VanDerWaalsContact O-N 3.11Å
110K71.6Confident76.1Confident222 Ų222120 Ų12097%0.96560%0.602SS**THydrogen-bonded Turntrans-54.6117.5177.5-170178.5-179.9-178.80109.3
111G66.9Low74.6Confident44 Ų44124 Ų12445%0.45462%0.624SS.*THydrogen-bonded Turntrans85.84.5177.400000117.1G109G109-G111 PolarHBondContact O-N 3.44Å
112Q71.3Confident72.8Confident173 Ų173133.3 Ų133.381%0.80866%0.66SS**  trans-95.2-8.3179-65.7-166.3-1600114.6G109G109-Q112 PolarHBondContact O-N 3.26Å; G109-Q112 VanDerWaalsContact O-N 3.11Å
113G74.4Confident71.1Confident53 Ų53141.3 Ų141.355%0.54669%0.693SS.*SBendtrans-82.8161.8171.600000112.2W115G113-W115 PolarHBondContact O-N 3.41Å
114R74.4Confident70.1Confident238 Ų238139.3 Ų139.390%0.89869%0.694SS**  trans-66.5123.5172.3-168.2178.5-179.3-171.3-0108.9E116R114-E116 PolarHBondContact O-N 3.48Å; R114-E116 VanDerWaalsContact O-N 3.17Å
115W61.2Low69.1Low189 Ų189143.1 Ų143.172%0.71671%0.709SS**  trans-73104.8172.7-6384.7000108.4G113 F117G113-W115 PolarHBondContact O-N 3.41Å; W115-F117 PolarHBondContact O-N 3.34Å
116E68.1Low68.1Low161 Ų161144.3 Ų144.375%0.75272%0.723SS**SBendtrans-72.1-19.9177.2-66.1-175.5169.400112.1R114R114-E116 PolarHBondContact O-N 3.48Å; R114-E116 VanDerWaalsContact O-N 3.17Å
117F69.6Low67Low161 Ų161147.2 Ų147.271%0.70674%0.735SS**SBendtrans-125.4131.9178.4-56.8-77000110.7W115 S119W115-F117 PolarHBondContact O-N 3.34Å; F117-S119 PolarHBondContact O-N 3Å
118P63.7Low66.2Low122 Ų122146.2 Ų146.279%0.79274%0.737SS**  trans-62.2130.3168.94.51.7000109.1K120P118-K120 PolarHBondContact O-N 3.03Å; P118-K120 VanDerWaalsContact O-N 3.11Å
119S64Low66.2Low87 Ų87151.3 Ų151.361%0.60874%0.738SS**  trans-61.3115.9169.353.50000108.4F117 N121F117-S119 PolarHBondContact O-N 3Å; S119-N121 PolarHBondContact O-N 3.26Å
120K64.8Low65.9Low168 Ų168159.7 Ų159.773%0.7377%0.766SS**  trans-60.8103.2170-100.9-177.8173.7-178.50108.1P118 Y122P118-K120 PolarHBondContact O-N 3.03Å; P118-K120 VanDerWaalsContact O-N 3.11Å; K120-Y122 HydrophobicContact CB-CD2 4.22Å; K120-Y122 HydrophobicContact CB-CE2 3.97Å; K120-Y122 HydrophobicContact CD-CE2 4.01Å; K120-Y122 PolarHBondContact O-N 3.04Å
121N61.9Low65.5Low144 Ų144154.9 Ų154.977%0.7775%0.751SS**  trans-7098.8166-71.7-17000107.2S119S119-N121 PolarHBondContact O-N 3.26Å
122Y54Low65.4Low197 Ų197164.2 Ų164.277%0.77378%0.775SS**  trans-74.1121.1162.1-77.2-85.2000107.3K120K120-Y122 HydrophobicContact CB-CD2 4.22Å; K120-Y122 HydrophobicContact CB-CE2 3.97Å; K120-Y122 HydrophobicContact CD-CE2 4.01Å; K120-Y122 PolarHBondContact O-N 3.04Å
123K57.1Low64.8Low277 Ų277163.4 Ų163.4100%1.20477%0.772SS**  trans-76.90167.9-77.2-174.1176-177.80109.9

Retrieved 123 of 123 residues in 36.4 ms (Link to these results)