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Dynein light chain Tctex-type 1

Component of dynein, a family of motor proteins essential for movement along microtubules (By similarity). Required for structural and functional integrity of cilia (By similarity). Acts as one of several non-catalytic accessory components of the cytoplasmic dynein 1 complex that are thought to be involved in linking dynein to cargos and to adapter proteins that regulate dynein function. Cytoplasmic dynein 1 acts as a motor for the intracellular retrograde motility of vesicles and organelles along microtubules. Binds to transport cargos and is involved in apical cargo transport such as rhodopsin-bearing vesicles in polarized epithelia. Plays a role in neuronal morphogenesis; the function is independent of cytoplasmic dynein and seems to be coupled to regulation of the actin cytoskeleton by enhancing Rac1 activity. The function in neurogenesis may be regulated by association with a G-protein beta-gamma dimer. May function as a receptor-independent activator of heterotrimeric G-protein signaling; the activation appears to be independent of a nucleotide exchange. Plays a role in regulating neurogenesis; inhibits the genesis of neurons from precursor cells during cortical development presumably by antagonizing ARHGEF2. Involved in the regulation of mitotic spindle orientation (By similarity). Unrelated to the role in retrograde microtubule-associated movement may play a role in the dimerization of cytoplasmic proteins/domains such as for ACVR2B. Binds to the cytoplasmic domain of ACVR2B and, in vitro, inhibits ACVR2B signaling1. (Microbial infection) Is involved in intracellular targeting of D-type retrovirus gag polyproteins to the cytoplasmic assembly site.

AlphaFold DB , UniProt , Accession P63172, Species HUMAN (Homo sapiens, Human), Gene DYNLT1, Length 113 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.7Low75.5Confident195 Ų195118.4 Ų118.496%0.96161%0.611SS**  0-47.30-80.2-177.6175.900109.7D3 Y4 Q5M1-D3 PolarHBondContact O-N 3.24Å; M1-Y4 PolarHBondContact O-N 3.15Å; M1-Q5 PolarHBondContact O-N 2.62Å
2E65.1Low77.2Confident162 Ų162110.7 Ų110.776%0.75757%0.569SS**Hα-helixtrans-56.6-45.7175.2-65.6177.4169.200113.4Y4 Q5 A6E2-Y4 PolarHBondContact O-N 2.91Å; E2-Q5 PolarHBondContact O-N 3.13Å; E2-Q5 VanDerWaalsContact O-N 3.12Å; E2-A6 PolarHBondContact O-N 3.46Å; E2-A6 VanDerWaalsContact O-N 3.11Å
3D70.7Confident78.7Confident138 Ų138105.6 Ų105.674%0.73855%0.547SS*.Hα-helixtrans-58.9-32.6179.1-62.2-40.8000113.8M1 A7M1-D3 PolarHBondContact O-N 3.24Å; D3-A7 PolarHBondContact O-N 2.83Å
4Y69.1Low80Confident190 Ų190103.1 Ų103.175%0.74554%0.538SS*.Hα-helixtrans-73.5-37.1179.2-74.8-84.3000111.9M1 E2 E8M1-Y4 PolarHBondContact O-N 3.15Å; E2-Y4 PolarHBondContact O-N 2.91Å; Y4-E8 PolarHBondContact O-N 2.8Å
5Q68.7Low81.1Confident123 Ų123104.3 Ų104.358%0.57555%0.545SS*.Hα-helixtrans-68.7-43.1177.7-73.7174.5-45.400111.1M1 E2 A7 E8 E9M1-Q5 PolarHBondContact O-N 2.62Å; E2-Q5 PolarHBondContact O-N 3.13Å; E2-Q5 VanDerWaalsContact O-N 3.12Å; Q5-A7 VanDerWaalsContact C-N 3.3Å; Q5-A7 PolarHBondContact O-N 2.72Å; Q5-E8 PolarHBondContact O-N 3.12Å; Q5-E9 WeakPolarHBondContact O-CG 3.22Å; Q5-E9 PolarHBondContact O-N 2.86Å
6A74Confident82.2Confident52 Ų52102 Ų10243%0.4353%0.531SS..Hα-helixtrans-62.4-36.3177.300000112.9E2 E9 T10E2-A6 PolarHBondContact O-N 3.46Å; E2-A6 VanDerWaalsContact O-N 3.11Å; A6-E9 PolarHBondContact O-N 2.83Å; A6-T10 PolarHBondContact O-N 2.8Å; A6-T10 PolarHBondContact O-OG1 3.01Å
7A77.3Confident83.1Confident54 Ų5496.1 Ų96.145%0.44650%0.5SS..Hα-helixtrans-66.3-42175.400000111.9D3 Q5 E9 T10 A11D3-A7 PolarHBondContact O-N 2.83Å; Q5-A7 VanDerWaalsContact C-N 3.3Å; Q5-A7 PolarHBondContact O-N 2.72Å; A7-E9 VanDerWaalsContact C-N 3.33Å; A7-E9 PolarHBondContact O-N 2.84Å; A7-T10 PolarHBondContact O-N 2.83Å; A7-T10 PolarHBondContact O-OG1 3.08Å; A7-A11 VanDerWaalsContact O-CB 3.27Å; A7-A11 WeakPolarHBondContact O-CB 3.47Å; A7-A11 PolarHBondContact O-N 2.91Å
8E77.3Confident84Confident133 Ų13391.8 Ų91.862%0.62148%0.48SS*.Hα-helixtrans-65.8-35.5177.7-168.1172.7-165.900112.4Y4 Q5 T10 A11Y4-E8 PolarHBondContact O-N 2.8Å; Q5-E8 PolarHBondContact O-N 3.12Å; E8-T10 VanDerWaalsContact C-N 3.26Å; E8-T10 PolarHBondContact O-N 3.27Å; E8-A11 PolarHBondContact O-N 3.18Å
9E82.6Confident84.7Confident140 Ų14091.3 Ų91.365%0.65448%0.477SS*.Hα-helixtrans-64.2-29.2175.7-75.7179-176.800112.9Q5 A6 A7 K59Q5-E9 WeakPolarHBondContact O-CG 3.22Å; Q5-E9 PolarHBondContact O-N 2.86Å; A6-E9 PolarHBondContact O-N 2.83Å; A7-E9 VanDerWaalsContact C-N 3.33Å; A7-E9 PolarHBondContact O-N 2.84Å; E9-K59 WeakPolarHBondContact O-CE 3.44Å; E9-K59 WeakPolarHBondContact O-CG 3.27Å
10T89Confident85.4Confident75 Ų7587.7 Ų87.746%0.4646%0.458SS..Hα-helixtrans-100.7-13.9-179.254.20000113.7A6 A7 E8 P60 F61A6-T10 PolarHBondContact O-N 2.8Å; A6-T10 PolarHBondContact O-OG1 3.01Å; A7-T10 PolarHBondContact O-N 2.83Å; A7-T10 PolarHBondContact O-OG1 3.08Å; E8-T10 VanDerWaalsContact C-N 3.26Å; E8-T10 PolarHBondContact O-N 3.27Å; T10-P60 HydrophobicContact CG2-CG 4.27Å; T10-F61 VanDerWaalsContact O-CE2 3.24Å; T10-F61 WeakPolarHBondContact O-CE2 3.42Å; T10-F61 WeakPolarHBondContact O-CZ 3.2Å
11A93.9Very high86.1Confident40 Ų4083.5 Ų83.533%0.33144%0.437SS..SBendtrans-74.5147-176.300000113.7A7 E8 V13 K59A7-A11 VanDerWaalsContact O-CB 3.27Å; A7-A11 WeakPolarHBondContact O-CB 3.47Å; A7-A11 PolarHBondContact O-N 2.91Å; E8-A11 PolarHBondContact O-N 3.18Å; A11-V13 HydrophobicContact CB-CG2 4.5Å; A11-V13 PolarHBondContact O-N 3.18Å; A11-V13 VanDerWaalsContact O-N 3.13Å; A11-K59 WeakPolarHBondContact O-CD 3.45Å; A11-K59 PolarHBondContact O-NZ 3.37Å
12F96.3Very high87.8Confident26 Ų2678.9 Ų78.911%0.11441%0.411CS..  trans-74.797.7167.2-173.9-89.5000109.7V14 V17 F61 C93F12-V14 HydrophobicContact CD1-CG2 4.1Å; F12-V14 HydrophobicContact CE1-CG2 4.09Å; F12-V14 PolarHBondContact O-N 2.9Å; F12-V17 HydrophobicContact CD2-CG2 4.24Å; F12-V17 HydrophobicContact CE1-CB 4.47Å; F12-V17 HydrophobicContact CE1-CG2 4.16Å; F12-V17 HydrophobicContact CE2-CG1 4.38Å; F12-V17 HydrophobicContact CE2-CG2 3.73Å; F12-V17 HydrophobicContact CZ-CB 4.06Å; F12-V17 HydrophobicContact CZ-CG1 3.85Å; F12-V17 HydrophobicContact CZ-CG2 3.69Å; F12-F61 HydrophobicContact CB-CE1 4.42Å; F12-F61 HydrophobicContact CB-CE2 4.07Å; F12-F61 HydrophobicContact CB-CZ 3.79Å; F12-C93 HydrophobicContact CE1-CB 4.22Å; F12-C93 HydrophobicContact CZ-CB 4.22Å
13V96.3Very high89.3Confident45 Ų4577.3 Ų77.327%0.27340%0.404SS..  trans-87.4105-177.8-179.10000109.5A11 D15 E16 V17A11-V13 HydrophobicContact CB-CG2 4.5Å; A11-V13 PolarHBondContact O-N 3.18Å; A11-V13 VanDerWaalsContact O-N 3.13Å; V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 3.17Å; V13-E16 HydrophobicContact CB-CB 3.94Å; V13-E16 HydrophobicContact CG1-CB 3.88Å; V13-E16 WeakPolarHBondContact O-CB 3.42Å; V13-E16 PolarHBondContact O-N 3.48Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.82Å
14V96.6Very high90.7Very high71 Ų7171 Ų7143%0.4337%0.37SS..Hα-helixtrans-57.6-39.7-173.6176.70000112.6F12 V17 S18 C93F12-V14 HydrophobicContact CD1-CG2 4.1Å; F12-V14 HydrophobicContact CE1-CG2 4.09Å; F12-V14 PolarHBondContact O-N 2.9Å; V14-V17 PolarHBondContact O-N 3.19Å; V14-S18 WeakPolarHBondContact O-CB 3.43Å; V14-S18 PolarHBondContact O-N 3.39Å; V14-C93 HydrophobicContact CG1-CB 4.22Å
15D97.6Very high92.1Very high121 Ų12161.9 Ų61.965%0.64734%0.335SS*.Hα-helixtrans-69-39.5-179.5-73.2-25.1000112.3V13 S18 N19V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 3.17Å; D15-S18 PolarHBondContact O-N 3.48Å; D15-N19 PolarHBondContact O-N 3.39Å; D15-N19 PolarHBondContact O-ND2 2.91Å
16E97.3Very high93.5Very high67 Ų6761 Ų6131%0.31333%0.331SS..Hα-helixtrans-61.6-49.6174.2178.7178.6-137.800110.5V13 S18 N19 I20 L57 K59V13-E16 HydrophobicContact CB-CB 3.94Å; V13-E16 HydrophobicContact CG1-CB 3.88Å; V13-E16 WeakPolarHBondContact O-CB 3.42Å; V13-E16 PolarHBondContact O-N 3.48Å; E16-S18 PolarHBondContact O-N 3.26Å; E16-N19 PolarHBondContact O-N 3.21Å; E16-I20 HydrophobicContact CG-CD1 4.44Å; E16-I20 WeakPolarHBondContact O-CG1 3.5Å; E16-I20 PolarHBondContact O-N 2.82Å; E16-I20 VanDerWaalsContact O-N 3.09Å; E16-L57 HydrophobicContact CG-CD1 4.19Å; E16-L57 HydrophobicContact CG-CD2 4.38Å; E16-L57 VanDerWaalsContact OE1-CD2 3.28Å; E16-L57 WeakPolarHBondContact OE1-CD2 3.17Å; E16-K59 IonicContact OE2-NZ 2.82Å; E16-K59 PolarHBondContact OE2-NZ 2.79Å
17V98.4Very high94.6Very high2 Ų262.3 Ų62.31%0.01234%0.337CS..Hα-helixtrans-63.2-41.4177.1175.60000111.5F12 V13 V14 N19 I20 V21 L54 C93 A108F12-V17 HydrophobicContact CD2-CG2 4.24Å; F12-V17 HydrophobicContact CE1-CB 4.47Å; F12-V17 HydrophobicContact CE1-CG2 4.16Å; F12-V17 HydrophobicContact CE2-CG1 4.38Å; F12-V17 HydrophobicContact CE2-CG2 3.73Å; F12-V17 HydrophobicContact CZ-CB 4.06Å; F12-V17 HydrophobicContact CZ-CG1 3.85Å; F12-V17 HydrophobicContact CZ-CG2 3.69Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.82Å; V14-V17 PolarHBondContact O-N 3.19Å; V17-N19 VanDerWaalsContact C-N 3.31Å; V17-N19 PolarHBondContact O-N 2.94Å; V17-I20 PolarHBondContact O-N 3.12Å; V17-V21 HydrophobicContact CG1-CG2 4.37Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.35Å; V17-L54 HydrophobicContact CB-CD2 4.3Å; V17-L54 HydrophobicContact CG1-CD2 4.05Å; V17-L54 HydrophobicContact CG2-CD2 3.76Å; V17-C93 HydrophobicContact CB-CB 4.22Å; V17-C93 HydrophobicContact CG1-CB 3.71Å; V17-A108 HydrophobicContact CG1-CB 3.78Å
18S98.4Very high95.6Very high18 Ų1860.2 Ų60.213%0.12632%0.32CS..Hα-helixtrans-59.6-42.2177.7-173.40000111.6V14 D15 E16 V21 K22V14-S18 WeakPolarHBondContact O-CB 3.43Å; V14-S18 PolarHBondContact O-N 3.39Å; D15-S18 PolarHBondContact O-N 3.48Å; E16-S18 PolarHBondContact O-N 3.26Å; S18-V21 PolarHBondContact O-N 2.95Å; S18-K22 VanDerWaalsContact O-CG 3.25Å; S18-K22 WeakPolarHBondContact O-CG 3.1Å; S18-K22 PolarHBondContact O-N 2.82Å; S18-K22 WeakPolarHBondContact OG-CE 3.41Å; S18-K22 PolarHBondContact OG-NZ 3Å
19N98.6Very high96.6Very high82 Ų8254 Ų5444%0.43929%0.29SS..Hα-helixtrans-67.1-45.3178-69.3-23.6000111.8D15 E16 V17 V21 K22 E23D15-N19 PolarHBondContact O-N 3.39Å; D15-N19 PolarHBondContact O-ND2 2.91Å; E16-N19 PolarHBondContact O-N 3.21Å; V17-N19 VanDerWaalsContact C-N 3.31Å; V17-N19 PolarHBondContact O-N 2.94Å; N19-V21 VanDerWaalsContact C-N 3.28Å; N19-V21 PolarHBondContact O-N 3.09Å; N19-K22 PolarHBondContact O-N 3.32Å; N19-E23 WeakPolarHBondContact O-CG 3.33Å; N19-E23 PolarHBondContact O-N 3.18Å
20I98.7Very high97Very high19 Ų1947.7 Ų47.710%0.09726%0.263CS..Hα-helixtrans-53.8-47173.6-73.3168.8000111.1E16 V17 E23 A24 T50 Q53 L54 L57E16-I20 HydrophobicContact CG-CD1 4.44Å; E16-I20 WeakPolarHBondContact O-CG1 3.5Å; E16-I20 PolarHBondContact O-N 2.82Å; E16-I20 VanDerWaalsContact O-N 3.09Å; V17-I20 PolarHBondContact O-N 3.12Å; I20-E23 PolarHBondContact O-N 3.27Å; I20-A24 WeakPolarHBondContact O-CB 3.48Å; I20-A24 PolarHBondContact O-N 3.19Å; I20-T50 HydrophobicContact CG2-CG2 4.28Å; I20-Q53 HydrophobicContact CB-CB 4.44Å; I20-Q53 HydrophobicContact CD1-CB 4.17Å; I20-Q53 HydrophobicContact CG1-CB 4.12Å; I20-Q53 HydrophobicContact CG2-CB 3.52Å; I20-Q53 HydrophobicContact CG2-CG 4.29Å; I20-L54 HydrophobicContact CD1-CD2 4.02Å; I20-L54 HydrophobicContact CG2-CG 4.44Å; I20-L57 HydrophobicContact CD1-CD1 3.89Å; I20-L57 HydrophobicContact CD1-CD2 4.19Å; I20-L57 HydrophobicContact CD1-CG 4.23Å
21V98.8Very high97.3Very high0 Ų047.9 Ų47.90%028%0.28CS..Hα-helixtrans-65.5-43.7-179.6171.40000111.3V17 S18 N19 E23 A24 I25 T50 V95 V106 A108V17-V21 HydrophobicContact CG1-CG2 4.37Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.35Å; S18-V21 PolarHBondContact O-N 2.95Å; N19-V21 VanDerWaalsContact C-N 3.28Å; N19-V21 PolarHBondContact O-N 3.09Å; V21-E23 PolarHBondContact O-N 2.95Å; V21-A24 PolarHBondContact O-N 3.32Å; V21-I25 HydrophobicContact CG1-CD1 3.85Å; V21-I25 HydrophobicContact CG1-CG1 4.46Å; V21-I25 VanDerWaalsContact O-CG1 3.26Å; V21-I25 WeakPolarHBondContact O-CG1 3.45Å; V21-I25 PolarHBondContact O-N 3.22Å; V21-T50 HydrophobicContact CG2-CG2 3.68Å; V21-V95 HydrophobicContact CB-CB 4.36Å; V21-V95 HydrophobicContact CB-CG2 3.85Å; V21-V95 HydrophobicContact CG1-CB 3.58Å; V21-V95 HydrophobicContact CG1-CG1 4.16Å; V21-V95 HydrophobicContact CG1-CG2 3.62Å; V21-V106 HydrophobicContact CG1-CB 3.56Å; V21-V106 HydrophobicContact CG1-CG1 3.59Å; V21-V106 HydrophobicContact CG1-CG2 4.2Å; V21-V106 HydrophobicContact CG2-CG1 4.32Å; V21-A108 HydrophobicContact CG2-CB 4.39Å
22K98.4Very high97.4Very high98 Ų9849.9 Ų49.943%0.42629%0.285SS..Hα-helixtrans-61.1-43.9177.4-73.1167.9-169.9164.30111.9S18 N19 I25 E26 V95S18-K22 VanDerWaalsContact O-CG 3.25Å; S18-K22 WeakPolarHBondContact O-CG 3.1Å; S18-K22 PolarHBondContact O-N 2.82Å; S18-K22 WeakPolarHBondContact OG-CE 3.41Å; S18-K22 PolarHBondContact OG-NZ 3Å; N19-K22 PolarHBondContact O-N 3.32Å; K22-I25 PolarHBondContact O-N 2.98Å; K22-E26 PolarHBondContact O-N 3.4Å; K22-V95 HydrophobicContact CG-CG1 3.83Å
23E98.4Very high97.5Very high130 Ų13051.2 Ų51.261%0.60730%0.302SS*.Hα-helixtrans-63.6-42.7177.3-72.1176.9-172.700111.7N19 I20 V21 I25 E26 S27N19-E23 WeakPolarHBondContact O-CG 3.33Å; N19-E23 PolarHBondContact O-N 3.18Å; I20-E23 PolarHBondContact O-N 3.27Å; V21-E23 PolarHBondContact O-N 2.95Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 3.3Å; E23-E26 PolarHBondContact O-N 2.96Å; E23-S27 WeakPolarHBondContact O-CB 3.32Å; E23-S27 PolarHBondContact O-N 3.01Å
24A98.7Very high97.6Very high4 Ų451.3 Ų51.33%0.03330%0.297CS..Hα-helixtrans-62-40.3175.700000112.3I20 V21 A28 Q49 T50I20-A24 WeakPolarHBondContact O-CB 3.48Å; I20-A24 PolarHBondContact O-N 3.19Å; V21-A24 PolarHBondContact O-N 3.32Å; A24-A28 VanDerWaalsContact O-CB 3.28Å; A24-A28 WeakPolarHBondContact O-CB 3.3Å; A24-A28 PolarHBondContact O-N 3.47Å; A24-Q49 HydrophobicContact CB-CB 3.87Å; A24-T50 WeakPolarHBondContact CB-OG1 3.49Å
25I98.6Very high97.7Very high0 Ų052.2 Ų52.20%030%0.297CS..Hα-helixtrans-63.8-48.8175-67.9166000110.9V21 K22 E23 S27 A28 I29 G30 V46 V95 W97 C104 V106V21-I25 HydrophobicContact CG1-CD1 3.85Å; V21-I25 HydrophobicContact CG1-CG1 4.46Å; V21-I25 VanDerWaalsContact O-CG1 3.26Å; V21-I25 WeakPolarHBondContact O-CG1 3.45Å; V21-I25 PolarHBondContact O-N 3.22Å; K22-I25 PolarHBondContact O-N 2.98Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 3.3Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3.49Å; I25-A28 PolarHBondContact O-N 2.96Å; I25-I29 HydrophobicContact CG2-CD1 4.27Å; I25-I29 WeakPolarHBondContact O-CB 3.39Å; I25-I29 PolarHBondContact O-N 3.42Å; I25-G30 PolarHBondContact O-N 3.33Å; I25-V46 HydrophobicContact CG1-CG1 4.08Å; I25-V46 HydrophobicContact CG1-CG2 4.39Å; I25-V95 HydrophobicContact CD1-CG1 4.01Å; I25-W97 HydrophobicContact CD1-CB 3.95Å; I25-W97 HydrophobicContact CG2-CB 3.88Å; I25-W97 HydrophobicContact CG2-CD2 3.55Å; I25-W97 HydrophobicContact CG2-CE3 4.01Å; I25-W97 HydrophobicContact CG2-CG 3.5Å; I25-W97 VanDerWaalsContact CG2-CG 3.5Å; I25-C104 HydrophobicContact CG2-CB 4.5Å; I25-V106 HydrophobicContact CD1-CB 4.33Å; I25-V106 HydrophobicContact CD1-CG2 3.69Å; I25-V106 HydrophobicContact CG1-CG2 3.89Å
26E97.7Very high97.7Very high104 Ų10453.4 Ų53.449%0.48630%0.298SS..Hα-helixtrans-64.9-39.9-178.1-166.360.5-14600111.7K22 E23 G30 W97K22-E26 PolarHBondContact O-N 3.4Å; E23-E26 PolarHBondContact O-N 2.96Å; E26-G30 WeakPolarHBondContact O-CA 3.15Å; E26-G30 PolarHBondContact O-N 3.42Å; E26-G30 WeakPolarHBondContact OE1-CA 3.36Å; E26-W97 PolarHBondContact OE2-NE1 3.34Å
27S98Very high97.8Very high80 Ų8055 Ų5556%0.55932%0.317SS*.Hα-helixtrans-63.7-44.3175.6168.50000112.8E23 I25 Q49E23-S27 WeakPolarHBondContact O-CB 3.32Å; E23-S27 PolarHBondContact O-N 3.01Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3.49Å; S27-Q49 VanDerWaalsContact CB-OE1 3.25Å; S27-Q49 PolarHBondContact OG-NE2 3.37Å; S27-Q49 PolarHBondContact OG-OE1 3.04Å
28A97.8Very high97.8Very high10 Ų1058.8 Ų58.88%0.08333%0.333CS..Hα-helixtrans-80.4-41-176.800000113.4A24 I25 W42 N45 V46A24-A28 VanDerWaalsContact O-CB 3.28Å; A24-A28 WeakPolarHBondContact O-CB 3.3Å; A24-A28 PolarHBondContact O-N 3.47Å; I25-A28 PolarHBondContact O-N 2.96Å; A28-W42 PolarHBondContact O-NE1 2.85Å; A28-N45 HydrophobicContact CB-CB 3.77Å; A28-V46 HydrophobicContact CB-CG2 3.55Å
29I97.7Very high97.8Very high1 Ų158.7 Ų58.71%0.00533%0.332CS..THydrogen-bonded Turntrans-108.3-53.6-170.6-60.3175.9000110.9I25 G31 N32 W42 V46 I69 W97 M102 C104I25-I29 HydrophobicContact CG2-CD1 4.27Å; I25-I29 WeakPolarHBondContact O-CB 3.39Å; I25-I29 PolarHBondContact O-N 3.42Å; I29-G31 PolarHBondContact O-N 2.98Å; I29-N32 WeakPolarHBondContact O-CB 3.47Å; I29-N32 PolarHBondContact O-N 3.38Å; I29-N32 VanDerWaalsContact O-N 3.17Å; I29-N32 PolarHBondContact O-ND2 3.02Å; I29-W42 HydrophobicContact CD1-CB 4.41Å; I29-W42 HydrophobicContact CG1-CB 3.9Å; I29-W42 HydrophobicContact CG1-CD2 4.29Å; I29-W42 HydrophobicContact CG1-CG 3.92Å; I29-V46 HydrophobicContact CD1-CG2 4.45Å; I29-I69 HydrophobicContact CD1-CD1 3.61Å; I29-I69 HydrophobicContact CD1-CG1 4.18Å; I29-I69 HydrophobicContact CG1-CD1 4.39Å; I29-W97 HydrophobicContact CB-CH2 4.44Å; I29-W97 HydrophobicContact CG2-CH2 3.69Å; I29-W97 HydrophobicContact CG2-CZ3 3.84Å; I29-M102 HydrophobicContact CG2-CE 3.2Å; I29-M102 HydrophobicContact CG2-SD 4.21Å; I29-C104 HydrophobicContact CD1-CB 4.04Å
30G92.4Very high97.8Very high8 Ų860.8 Ų60.88%0.08234%0.343CS..THydrogen-bonded Turntrans46-134.6-177.100000114I25 E26 N32 W97I25-G30 PolarHBondContact O-N 3.33Å; E26-G30 WeakPolarHBondContact O-CA 3.15Å; E26-G30 PolarHBondContact O-N 3.42Å; E26-G30 WeakPolarHBondContact OE1-CA 3.36Å; G30-N32 PolarHBondContact O-N 2.98Å; G30-W97 VanDerWaalsContact O-CH2 3.3Å; G30-W97 WeakPolarHBondContact O-CH2 3.35Å; G30-W97 WeakPolarHBondContact O-CZ2 3.32Å
31G94Very high97.8Very high80 Ų8064.3 Ų64.383%0.82536%0.359SS*.THydrogen-bonded Turntrans-74.54-179.100000116.3I29I29-G31 PolarHBondContact O-N 2.98Å
32N97.8Very high97.7Very high81 Ų8164.9 Ų64.943%0.43336%0.361SS..PPolyproline II helixtrans-65.7140.4-175.9-73.1-77.1000112.1I29 G30 W42 N99 M102I29-N32 WeakPolarHBondContact O-CB 3.47Å; I29-N32 PolarHBondContact O-N 3.38Å; I29-N32 VanDerWaalsContact O-N 3.17Å; I29-N32 PolarHBondContact O-ND2 3.02Å; G30-N32 PolarHBondContact O-N 2.98Å; N32-W42 HydrophobicContact CB-CH2 4.26Å; N32-W42 HydrophobicContact CB-CZ2 3.74Å; N32-N99 PolarHBondContact O-ND2 2.83Å; N32-M102 WeakPolarHBondContact O-CE 3.37Å
33A98.1Very high97.8Very high55 Ų5561.6 Ų61.646%0.45535%0.35SS..PPolyproline II helixtrans-74.4150167.100000110.3Q35 W42 T101A33-Q35 PolarHBondContact O-N 3.47Å; A33-W42 WeakPolarHBondContact O-CH2 3.43Å; A33-T101 WeakPolarHBondContact CA-OG1 3.27Å; A33-T101 HydrophobicContact CB-CG2 4.15Å
34Y98.4Very high97.8Very high46 Ų4658.5 Ų58.518%0.1834%0.339CS..PPolyproline II helixtrans-53.5126.6178.1179-92.4000111.7H36 V39 I69 Q71 T101 M102Y34-H36 HydrophobicContact CE1-CB 4.05Å; Y34-H36 PolarHBondContact OH-ND1 2.89Å; Y34-V39 HydrophobicContact CD2-CG2 4.29Å; Y34-V39 HydrophobicContact CE2-CG2 3.5Å; Y34-V39 VanDerWaalsContact CE2-CG2 3.5Å; Y34-I69 HydrophobicContact CD2-CG2 4.35Å; Y34-I69 HydrophobicContact CE2-CG2 4.33Å; Y34-Q71 HydrophobicContact CD1-CB 3.79Å; Y34-Q71 HydrophobicContact CD1-CG 3.56Å; Y34-Q71 HydrophobicContact CD2-CB 4.01Å; Y34-Q71 HydrophobicContact CD2-CG 4.44Å; Y34-Q71 HydrophobicContact CE1-CB 3.67Å; Y34-Q71 HydrophobicContact CE1-CG 3.84Å; Y34-Q71 HydrophobicContact CE2-CB 3.9Å; Y34-Q71 HydrophobicContact CG-CB 3.95Å; Y34-Q71 HydrophobicContact CG-CG 3.88Å; Y34-T101 PolarHBondContact N-OG1 3.24Å; Y34-M102 HydrophobicContact CD2-CB 3.93Å; Y34-M102 HydrophobicContact CD2-SD 4.06Å; Y34-M102 HydrophobicContact CG-CB 4.45Å
35Q98.1Very high97.8Very high91 Ų9160.6 Ų60.643%0.42535%0.35SS..  trans-134.9115.9170.8-66.6178.524.300108.1A33 S37 K38 V39 W42A33-Q35 PolarHBondContact O-N 3.47Å; Q35-S37 PolarHBondContact O-N 3.46Å; Q35-K38 HydrophobicContact CB-CB 4.12Å; Q35-K38 HydrophobicContact CB-CG 3.95Å; Q35-K38 WeakPolarHBondContact O-CB 3.45Å; Q35-K38 PolarHBondContact O-N 3.34Å; Q35-V39 PolarHBondContact O-N 2.85Å; Q35-W42 HydrophobicContact CB-CH2 4.22Å
36H98Very high97.8Very high145 Ų14560.6 Ų60.667%0.67135%0.35SS*.Hα-helixtrans-56.4-38.2-175.5-175.659.3000112.8Y34 K38 V39Y34-H36 HydrophobicContact CE1-CB 4.05Å; Y34-H36 PolarHBondContact OH-ND1 2.89Å; H36-K38 PolarHBondContact O-N 3.5Å; H36-V39 WeakPolarHBondContact O-CB 3.21Å; H36-V39 PolarHBondContact O-N 2.91Å
37S98.3Very high97.8Very high102 Ų10257.4 Ų57.471%0.71334%0.337SS*.Hα-helixtrans-63.8-18.4176.554.90000114.5Q35Q35-S37 PolarHBondContact O-N 3.46Å
38K98.3Very high97.9Very high80 Ų8059.3 Ų59.335%0.34834%0.338SS..Hα-helixtrans-97-14.4178.6-67.3-68.7-176.6177.80113.6Q35 H36 N40 Q41 W42Q35-K38 HydrophobicContact CB-CB 4.12Å; Q35-K38 HydrophobicContact CB-CG 3.95Å; Q35-K38 WeakPolarHBondContact O-CB 3.45Å; Q35-K38 PolarHBondContact O-N 3.34Å; H36-K38 PolarHBondContact O-N 3.5Å; K38-N40 PolarHBondContact O-N 2.81Å; K38-Q41 WeakPolarHBondContact O-CB 3.36Å; K38-Q41 PolarHBondContact O-N 3.37Å; K38-Q41 VanDerWaalsContact O-N 3.09Å; K38-W42 HydrophobicContact CB-CD2 3.88Å; K38-W42 HydrophobicContact CB-CE3 4.01Å; K38-W42 HydrophobicContact CB-CH2 3.67Å; K38-W42 HydrophobicContact CB-CZ2 3.54Å; K38-W42 HydrophobicContact CB-CZ3 3.91Å; K38-W42 HydrophobicContact CG-CH2 4.42Å; K38-W42 HydrophobicContact CG-CZ2 4.12Å; K38-W42 PolarHBondContact O-N 3.47Å
39V98.5Very high97.9Very high16 Ų1661.7 Ų61.710%0.09735%0.347CS..Hα-helixtrans-55.4-48.7-174.8171.30000111.8Y34 Q35 H36 Q41 W42 T43 I69Y34-V39 HydrophobicContact CD2-CG2 4.29Å; Y34-V39 HydrophobicContact CE2-CG2 3.5Å; Y34-V39 VanDerWaalsContact CE2-CG2 3.5Å; Q35-V39 PolarHBondContact O-N 2.85Å; H36-V39 WeakPolarHBondContact O-CB 3.21Å; H36-V39 PolarHBondContact O-N 2.91Å; V39-Q41 VanDerWaalsContact C-N 3.31Å; V39-Q41 PolarHBondContact O-N 2.86Å; V39-W42 HydrophobicContact CG2-CE3 4.44Å; V39-W42 PolarHBondContact O-N 2.96Å; V39-W42 VanDerWaalsContact O-N 3.16Å; V39-T43 HydrophobicContact CG1-CG2 4.25Å; V39-T43 WeakPolarHBondContact O-CG2 3.25Å; V39-T43 PolarHBondContact O-N 2.93Å; V39-T43 PolarHBondContact O-OG1 3.33Å; V39-T43 VanDerWaalsContact O-OG1 3.12Å; V39-I69 HydrophobicContact CG1-CB 4.12Å; V39-I69 HydrophobicContact CG2-CG2 4.34Å
40N98.4Very high98Very high126 Ų12661.7 Ų61.767%0.67435%0.347SS*.Hα-helixtrans-60-41.4179.5-69.4-17.7000112.3K38 T43 T44K38-N40 PolarHBondContact O-N 2.81Å; N40-T43 WeakPolarHBondContact CA-OG1 3.15Å; N40-T43 PolarHBondContact O-OG1 3.05Å; N40-T44 WeakPolarHBondContact O-CB 3.46Å; N40-T44 PolarHBondContact O-N 2.99Å; N40-T44 PolarHBondContact O-OG1 3.44Å
41Q98.5Very high98.3Very high94 Ų9464 Ų6444%0.43936%0.357SS..Hα-helixtrans-63.4-45.7176.8-176.9-176.6300110.7K38 V39 N45K38-Q41 WeakPolarHBondContact O-CB 3.36Å; K38-Q41 PolarHBondContact O-N 3.37Å; K38-Q41 VanDerWaalsContact O-N 3.09Å; V39-Q41 VanDerWaalsContact C-N 3.31Å; V39-Q41 PolarHBondContact O-N 2.86Å; Q41-N45 WeakPolarHBondContact O-CB 3.49Å; Q41-N45 PolarHBondContact O-N 3.16Å; Q41-N45 PolarHBondContact O-OD1 3.34Å
42W98.7Very high98.5Very high12 Ų1262.6 Ų62.65%0.04534%0.335CS..Hα-helixtrans-64.4-46.3178.9-67.1-32.8000112.4A28 I29 N32 A33 Q35 K38 V39 T44 N45 V46 I69 M102A28-W42 PolarHBondContact O-NE1 2.85Å; I29-W42 HydrophobicContact CD1-CB 4.41Å; I29-W42 HydrophobicContact CG1-CB 3.9Å; I29-W42 HydrophobicContact CG1-CD2 4.29Å; I29-W42 HydrophobicContact CG1-CG 3.92Å; N32-W42 HydrophobicContact CB-CH2 4.26Å; N32-W42 HydrophobicContact CB-CZ2 3.74Å; A33-W42 WeakPolarHBondContact O-CH2 3.43Å; Q35-W42 HydrophobicContact CB-CH2 4.22Å; K38-W42 HydrophobicContact CB-CD2 3.88Å; K38-W42 HydrophobicContact CB-CE3 4.01Å; K38-W42 HydrophobicContact CB-CH2 3.67Å; K38-W42 HydrophobicContact CB-CZ2 3.54Å; K38-W42 HydrophobicContact CB-CZ3 3.91Å; K38-W42 HydrophobicContact CG-CH2 4.42Å; K38-W42 HydrophobicContact CG-CZ2 4.12Å; K38-W42 PolarHBondContact O-N 3.47Å; V39-W42 HydrophobicContact CG2-CE3 4.44Å; V39-W42 PolarHBondContact O-N 2.96Å; V39-W42 VanDerWaalsContact O-N 3.16Å; W42-T44 VanDerWaalsContact C-N 3.34Å; W42-T44 PolarHBondContact O-N 2.84Å; W42-N45 PolarHBondContact O-N 2.83Å; W42-V46 WeakPolarHBondContact O-CB 3.28Å; W42-V46 VanDerWaalsContact O-CG2 3.26Å; W42-V46 WeakPolarHBondContact O-CG2 3.17Å; W42-V46 PolarHBondContact O-N 3Å; W42-I69 HydrophobicContact CB-CD1 3.52Å; W42-I69 HydrophobicContact CE3-CD1 4.29Å; W42-I69 HydrophobicContact CG-CD1 4.5Å; W42-M102 HydrophobicContact CE3-SD 4.37Å; W42-M102 HydrophobicContact CH2-CE 4.21Å; W42-M102 HydrophobicContact CZ3-CE 4.03Å; W42-M102 HydrophobicContact CZ3-SD 3.96Å
43T98.6Very high98.5Very high29 Ų2962.6 Ų62.618%0.17833%0.332CS..Hα-helixtrans-61.3-43.7178.450.50000111.5V39 N40 V46 V47 I69V39-T43 HydrophobicContact CG1-CG2 4.25Å; V39-T43 WeakPolarHBondContact O-CG2 3.25Å; V39-T43 PolarHBondContact O-N 2.93Å; V39-T43 PolarHBondContact O-OG1 3.33Å; V39-T43 VanDerWaalsContact O-OG1 3.12Å; N40-T43 WeakPolarHBondContact CA-OG1 3.15Å; N40-T43 PolarHBondContact O-OG1 3.05Å; T43-V46 PolarHBondContact O-N 3.2Å; T43-V47 WeakPolarHBondContact O-CB 3.49Å; T43-V47 VanDerWaalsContact O-CG2 3.28Å; T43-V47 WeakPolarHBondContact O-CG2 3.39Å; T43-V47 PolarHBondContact O-N 3.34Å; T43-I69 HydrophobicContact CG2-CB 4.49Å; T43-I69 HydrophobicContact CG2-CD1 3.74Å; T43-I69 HydrophobicContact CG2-CG1 3.92Å
44T98.7Very high98.5Very high64 Ų6460 Ų6039%0.39331%0.311SS..Hα-helixtrans-60.6-51176.2-64.10000110.9N40 W42 V46 V47 E48N40-T44 WeakPolarHBondContact O-CB 3.46Å; N40-T44 PolarHBondContact O-N 2.99Å; N40-T44 PolarHBondContact O-OG1 3.44Å; W42-T44 VanDerWaalsContact C-N 3.34Å; W42-T44 PolarHBondContact O-N 2.84Å; T44-V46 VanDerWaalsContact C-N 3.35Å; T44-V46 PolarHBondContact O-N 3.09Å; T44-V47 PolarHBondContact O-N 3.46Å; T44-E48 HydrophobicContact CG2-CG 4.19Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.26Å; T44-E48 WeakPolarHBondContact O-CB 3.26Å; T44-E48 WeakPolarHBondContact O-CG 3.47Å; T44-E48 PolarHBondContact O-N 2.82Å
45N98.7Very high98.5Very high48 Ų4862 Ų6226%0.25733%0.328SS..Hα-helixtrans-59.9-43.1-179.4-72.5-0.5000112.3A28 Q41 W42 Q49A28-N45 HydrophobicContact CB-CB 3.77Å; Q41-N45 WeakPolarHBondContact O-CB 3.49Å; Q41-N45 PolarHBondContact O-N 3.16Å; Q41-N45 PolarHBondContact O-OD1 3.34Å; W42-N45 PolarHBondContact O-N 2.83Å; N45-Q49 VanDerWaalsContact O-CB 3.23Å; N45-Q49 WeakPolarHBondContact O-CB 3.35Å; N45-Q49 WeakPolarHBondContact O-CG 3.42Å; N45-Q49 PolarHBondContact O-N 3.32Å
46V98.8Very high98.4Very high0 Ų064 Ų640%034%0.335CS..Hα-helixtrans-61.9-47.4177.81700000111I25 A28 I29 W42 T43 T44 T50 C67 V106I25-V46 HydrophobicContact CG1-CG1 4.08Å; I25-V46 HydrophobicContact CG1-CG2 4.39Å; A28-V46 HydrophobicContact CB-CG2 3.55Å; I29-V46 HydrophobicContact CD1-CG2 4.45Å; W42-V46 WeakPolarHBondContact O-CB 3.28Å; W42-V46 VanDerWaalsContact O-CG2 3.26Å; W42-V46 WeakPolarHBondContact O-CG2 3.17Å; W42-V46 PolarHBondContact O-N 3Å; T43-V46 PolarHBondContact O-N 3.2Å; T44-V46 VanDerWaalsContact C-N 3.35Å; T44-V46 PolarHBondContact O-N 3.09Å; V46-T50 VanDerWaalsContact O-CB 3.26Å; V46-T50 WeakPolarHBondContact O-CB 3.18Å; V46-T50 PolarHBondContact O-N 3.13Å; V46-T50 PolarHBondContact O-OG1 3.39Å; V46-C67 HydrophobicContact CG1-CB 4.39Å; V46-V106 HydrophobicContact CG1-CG1 4.32Å; V46-V106 HydrophobicContact CG1-CG2 3.61Å
47V98.8Very high98.3Very high37 Ų3759.5 Ų59.522%0.22432%0.316CS..Hα-helixtrans-64.9-48.3-178.8170.20000110.9T43 T44 T50 L51 V65 C67T43-V47 WeakPolarHBondContact O-CB 3.49Å; T43-V47 VanDerWaalsContact O-CG2 3.28Å; T43-V47 WeakPolarHBondContact O-CG2 3.39Å; T43-V47 PolarHBondContact O-N 3.34Å; T44-V47 PolarHBondContact O-N 3.46Å; V47-T50 PolarHBondContact O-N 2.93Å; V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 4.47Å; V47-L51 WeakPolarHBondContact O-CB 3.29Å; V47-L51 WeakPolarHBondContact O-CG 3.28Å; V47-L51 PolarHBondContact O-N 3.4Å; V47-V65 HydrophobicContact CG1-CB 4.4Å; V47-V65 HydrophobicContact CG2-CG1 4.22Å; V47-C67 HydrophobicContact CG2-CB 3.7Å
48E98.6Very high98.2Very high120 Ų12057.8 Ų57.856%0.56132%0.315SS*.Hα-helixtrans-63.9-43.8-179.6-72.4-179.3175.700112.2T44 S52T44-E48 HydrophobicContact CG2-CG 4.19Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.26Å; T44-E48 WeakPolarHBondContact O-CB 3.26Å; T44-E48 WeakPolarHBondContact O-CG 3.47Å; T44-E48 PolarHBondContact O-N 2.82Å; E48-S52 VanDerWaalsContact O-CB 3.23Å; E48-S52 WeakPolarHBondContact O-CB 3.48Å; E48-S52 PolarHBondContact O-N 2.95Å
49Q98.7Very high98.1Very high61 Ų6155.4 Ų55.429%0.28530%0.304SS..Hα-helixtrans-65.3-43.5177.5-71.9179.42500111.3A24 S27 N45 S52 Q53A24-Q49 HydrophobicContact CB-CB 3.87Å; S27-Q49 VanDerWaalsContact CB-OE1 3.25Å; S27-Q49 PolarHBondContact OG-NE2 3.37Å; S27-Q49 PolarHBondContact OG-OE1 3.04Å; N45-Q49 VanDerWaalsContact O-CB 3.23Å; N45-Q49 WeakPolarHBondContact O-CB 3.35Å; N45-Q49 WeakPolarHBondContact O-CG 3.42Å; N45-Q49 PolarHBondContact O-N 3.32Å; Q49-S52 PolarHBondContact O-N 3.24Å; Q49-Q53 WeakPolarHBondContact O-CG 3.4Å; Q49-Q53 PolarHBondContact O-N 2.98Å
50T98.8Very high97.9Very high0 Ų057.3 Ų57.30%032%0.317CS..Hα-helixtrans-59.5-52.2176.8-58.50000110.7I20 V21 A24 V46 V47 S52 Q53 L54 V65I20-T50 HydrophobicContact CG2-CG2 4.28Å; V21-T50 HydrophobicContact CG2-CG2 3.68Å; A24-T50 WeakPolarHBondContact CB-OG1 3.49Å; V46-T50 VanDerWaalsContact O-CB 3.26Å; V46-T50 WeakPolarHBondContact O-CB 3.18Å; V46-T50 PolarHBondContact O-N 3.13Å; V46-T50 PolarHBondContact O-OG1 3.39Å; V47-T50 PolarHBondContact O-N 2.93Å; T50-S52 VanDerWaalsContact C-N 3.32Å; T50-S52 PolarHBondContact O-N 2.69Å; T50-Q53 PolarHBondContact O-N 2.9Å; T50-L54 HydrophobicContact CG2-CD1 3.76Å; T50-L54 HydrophobicContact CG2-CG 4.26Å; T50-L54 WeakPolarHBondContact O-CB 3.35Å; T50-L54 VanDerWaalsContact O-CG 3.27Å; T50-L54 WeakPolarHBondContact O-CG 3.42Å; T50-L54 PolarHBondContact O-N 3.25Å; T50-V65 HydrophobicContact CG2-CG1 4.03Å; T50-V65 HydrophobicContact CG2-CG2 3.79Å
51L98.7Very high97.9Very high57 Ų5752 Ų5230%0.29829%0.288SS..Hα-helixtrans-61.5-39.8178.8-73.7171.4000112.2V47 Q53 L54 T55 V65V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 4.47Å; V47-L51 WeakPolarHBondContact O-CB 3.29Å; V47-L51 WeakPolarHBondContact O-CG 3.28Å; V47-L51 PolarHBondContact O-N 3.4Å; L51-Q53 PolarHBondContact O-N 2.94Å; L51-L54 PolarHBondContact O-N 2.66Å; L51-T55 WeakPolarHBondContact O-CB 3.35Å; L51-T55 VanDerWaalsContact O-CG2 3.31Å; L51-T55 WeakPolarHBondContact O-CG2 3.34Å; L51-T55 PolarHBondContact O-N 3.07Å; L51-T55 PolarHBondContact O-OG1 2.97Å; L51-V65 HydrophobicContact CD2-CB 4.36Å; L51-V65 HydrophobicContact CD2-CG2 3.63Å; L51-V65 HydrophobicContact CG-CB 4.33Å; L51-V65 HydrophobicContact CG-CG2 3.9Å
52S98.5Very high97.9Very high51 Ų5154 Ų5436%0.35730%0.295SS..Hα-helixtrans-62.7-41177.6-177.40000112E48 Q49 T50 T55 K56E48-S52 VanDerWaalsContact O-CB 3.23Å; E48-S52 WeakPolarHBondContact O-CB 3.48Å; E48-S52 PolarHBondContact O-N 2.95Å; Q49-S52 PolarHBondContact O-N 3.24Å; T50-S52 VanDerWaalsContact C-N 3.32Å; T50-S52 PolarHBondContact O-N 2.69Å; S52-T55 PolarHBondContact O-OG1 3.05Å; S52-K56 VanDerWaalsContact O-CG 3.27Å; S52-K56 WeakPolarHBondContact O-CG 3.45Å; S52-K56 PolarHBondContact O-N 2.88Å
53Q98.6Very high97.9Very high81 Ų8155.1 Ų55.138%0.37930%0.299SS..Hα-helixtrans-75-40.3177.9-64-58.5-20.700112I20 Q49 T50 L51 T55 K56 L57I20-Q53 HydrophobicContact CB-CB 4.44Å; I20-Q53 HydrophobicContact CD1-CB 4.17Å; I20-Q53 HydrophobicContact CG1-CB 4.12Å; I20-Q53 HydrophobicContact CG2-CB 3.52Å; I20-Q53 HydrophobicContact CG2-CG 4.29Å; Q49-Q53 WeakPolarHBondContact O-CG 3.4Å; Q49-Q53 PolarHBondContact O-N 2.98Å; T50-Q53 PolarHBondContact O-N 2.9Å; L51-Q53 PolarHBondContact O-N 2.94Å; Q53-T55 VanDerWaalsContact C-N 3.31Å; Q53-T55 PolarHBondContact O-N 2.81Å; Q53-K56 WeakPolarHBondContact O-CB 3.48Å; Q53-K56 PolarHBondContact O-N 2.79Å; Q53-K56 VanDerWaalsContact O-N 3.15Å; Q53-L57 PolarHBondContact O-N 2.89Å
54L98.4Very high97.8Very high0 Ų057.9 Ų57.90%031%0.312CS..Hα-helixtrans-60.4-39.7176.4-72.9175.8000112.7V17 I20 T50 L51 K56 L57 Y63 V65 A108V17-L54 HydrophobicContact CB-CD2 4.3Å; V17-L54 HydrophobicContact CG1-CD2 4.05Å; V17-L54 HydrophobicContact CG2-CD2 3.76Å; I20-L54 HydrophobicContact CD1-CD2 4.02Å; I20-L54 HydrophobicContact CG2-CG 4.44Å; T50-L54 HydrophobicContact CG2-CD1 3.76Å; T50-L54 HydrophobicContact CG2-CG 4.26Å; T50-L54 WeakPolarHBondContact O-CB 3.35Å; T50-L54 VanDerWaalsContact O-CG 3.27Å; T50-L54 WeakPolarHBondContact O-CG 3.42Å; T50-L54 PolarHBondContact O-N 3.25Å; L51-L54 PolarHBondContact O-N 2.66Å; L54-K56 VanDerWaalsContact C-N 3.34Å; L54-L57 HydrophobicContact CD2-CD1 4.15Å; L54-L57 WeakPolarHBondContact O-CB 3.49Å; L54-L57 PolarHBondContact O-N 3.08Å; L54-Y63 HydrophobicContact CB-CD1 4.15Å; L54-Y63 HydrophobicContact CB-CD2 3.9Å; L54-Y63 HydrophobicContact CB-CE1 4.07Å; L54-Y63 HydrophobicContact CB-CE2 3.81Å; L54-Y63 HydrophobicContact CB-CG 4.05Å; L54-Y63 HydrophobicContact CD1-CD1 3.84Å; L54-Y63 HydrophobicContact CD1-CE1 4.27Å; L54-Y63 HydrophobicContact CD1-CG 4.08Å; L54-Y63 HydrophobicContact CD2-CE1 4.14Å; L54-Y63 HydrophobicContact CG-CD1 4.41Å; L54-Y63 HydrophobicContact CG-CE1 4.4Å; L54-Y63 WeakPolarHBondContact O-CE2 3.49Å; L54-Y63 PolarHBondContact O-OH 2.88Å; L54-V65 HydrophobicContact CD1-CG2 4.1Å; L54-A108 HydrophobicContact CD1-CB 4.34Å
55T97Very high97.8Very high88 Ų8855.7 Ų55.754%0.5430%0.299SS..Hα-helixtrans-69.5-30.6176.849.70000112.8L51 S52 Q53 L57 G58 Y63L51-T55 WeakPolarHBondContact O-CB 3.35Å; L51-T55 VanDerWaalsContact O-CG2 3.31Å; L51-T55 WeakPolarHBondContact O-CG2 3.34Å; L51-T55 PolarHBondContact O-N 3.07Å; L51-T55 PolarHBondContact O-OG1 2.97Å; S52-T55 PolarHBondContact O-OG1 3.05Å; Q53-T55 VanDerWaalsContact C-N 3.31Å; Q53-T55 PolarHBondContact O-N 2.81Å; T55-L57 PolarHBondContact O-N 2.83Å; T55-G58 PolarHBondContact O-N 3.2Å; T55-Y63 HydrophobicContact CG2-CD2 4.34Å
56K97.7Very high97.8Very high132 Ų13256.6 Ų56.657%0.57431%0.306SS*.Hα-helixtrans-68.4-19.6174.8-72.9169.4-166.9171.10113.8S52 Q53 L54 G58S52-K56 VanDerWaalsContact O-CG 3.27Å; S52-K56 WeakPolarHBondContact O-CG 3.45Å; S52-K56 PolarHBondContact O-N 2.88Å; Q53-K56 WeakPolarHBondContact O-CB 3.48Å; Q53-K56 PolarHBondContact O-N 2.79Å; Q53-K56 VanDerWaalsContact O-N 3.15Å; L54-K56 VanDerWaalsContact C-N 3.34Å; K56-G58 PolarHBondContact O-N 3.48Å
57L96Very high97.8Very high51 Ų5157.7 Ų57.727%0.26731%0.313SS..THydrogen-bonded Turntrans-63.4-17.7173.4-58.1-178.3000112.3E16 I20 Q53 L54 T55 K59E16-L57 HydrophobicContact CG-CD1 4.19Å; E16-L57 HydrophobicContact CG-CD2 4.38Å; E16-L57 VanDerWaalsContact OE1-CD2 3.28Å; E16-L57 WeakPolarHBondContact OE1-CD2 3.17Å; I20-L57 HydrophobicContact CD1-CD1 3.89Å; I20-L57 HydrophobicContact CD1-CD2 4.19Å; I20-L57 HydrophobicContact CD1-CG 4.23Å; Q53-L57 PolarHBondContact O-N 2.89Å; L54-L57 HydrophobicContact CD2-CD1 4.15Å; L54-L57 WeakPolarHBondContact O-CB 3.49Å; L54-L57 PolarHBondContact O-N 3.08Å; T55-L57 PolarHBondContact O-N 2.83Å; L57-K59 HydrophobicContact CB-CD 4.41Å; L57-K59 HydrophobicContact CB-CG 3.96Å; L57-K59 PolarHBondContact O-N 2.94Å; L57-K59 VanDerWaalsContact O-N 3.1Å
58G95.2Very high97.8Very high67 Ų6758.7 Ų58.769%0.69132%0.319SS*.  trans67.310178.600000114.3T55 K56T55-G58 PolarHBondContact O-N 3.2Å; K56-G58 PolarHBondContact O-N 3.48Å
59K95.7Very high97.8Very high29 Ų2953.9 Ų53.913%0.12630%0.297CS..  trans-75.7146.9-179.8-59.4-167.6170.41770111.3E9 A11 E16 L57 F61E9-K59 WeakPolarHBondContact O-CE 3.44Å; E9-K59 WeakPolarHBondContact O-CG 3.27Å; A11-K59 WeakPolarHBondContact O-CD 3.45Å; A11-K59 PolarHBondContact O-NZ 3.37Å; E16-K59 IonicContact OE2-NZ 2.82Å; E16-K59 PolarHBondContact OE2-NZ 2.79Å; L57-K59 HydrophobicContact CB-CD 4.41Å; L57-K59 HydrophobicContact CB-CG 3.96Å; L57-K59 PolarHBondContact O-N 2.94Å; L57-K59 VanDerWaalsContact O-N 3.1Å; K59-F61 HydrophobicContact CB-CD2 3.57Å; K59-F61 HydrophobicContact CB-CE2 3.85Å; K59-F61 HydrophobicContact CD-CE2 4.17Å; K59-F61 PolarHBondContact O-N 2.73Å
60P95.6Very high97.7Very high56 Ų5652.6 Ų52.636%0.36429%0.292SS..SBendtrans-78.658.8-172.834.6-37.8000112.8T10 I113T10-P60 HydrophobicContact CG2-CG 4.27Å; P60-I113 WeakPolarHBondContact O-CG1 3.49Å; P60-I113 PolarHBondContact O-N 3Å
61F97.6Very high97.7Very high16 Ų1656.6 Ų56.67%0.0731%0.31CS..EExtended strand (participates in β ladder)trans-118.5143.1-176.9-68.7-60.1000113T10 F12 K59 Y63 T89 L111T10-F61 VanDerWaalsContact O-CE2 3.24Å; T10-F61 WeakPolarHBondContact O-CE2 3.42Å; T10-F61 WeakPolarHBondContact O-CZ 3.2Å; F12-F61 HydrophobicContact CB-CE1 4.42Å; F12-F61 HydrophobicContact CB-CE2 4.07Å; F12-F61 HydrophobicContact CB-CZ 3.79Å; K59-F61 HydrophobicContact CB-CD2 3.57Å; K59-F61 HydrophobicContact CB-CE2 3.85Å; K59-F61 HydrophobicContact CD-CE2 4.17Å; K59-F61 PolarHBondContact O-N 2.73Å; F61-Y63 HydrophobicContact CB-CD1 4.09Å; F61-Y63 HydrophobicContact CB-CD2 4.41Å; F61-Y63 HydrophobicContact CB-CE1 3.62Å; F61-Y63 HydrophobicContact CB-CE2 3.97Å; F61-Y63 HydrophobicContact CB-CG 4.48Å; F61-Y63 HydrophobicContact CD2-CE1 4.07Å; F61-Y63 HydrophobicContact CG-CE1 4.13Å; F61-T89 VanDerWaalsContact CE1-O 3.27Å; F61-T89 WeakPolarHBondContact CE1-O 3.42Å; F61-L111 CarbonylContact C-O 3.59Å; F61-L111 WeakPolarHBondContact CA-O 3.47Å
62K97.9Very high97.6Very high135 Ų13556.9 Ų56.959%0.58731%0.309SS*.EExtended strand (participates in β ladder)trans-84.2120.7153.1-72.6168.5-172.9164.60108.2L111 I113K62-L111 PolarHBondContact N-O 2.82Å; K62-L111 PolarHBondContact O-N 3.35Å; K62-I113 HydrophobicContact CG-CD1 4.3Å; K62-I113 HydrophobicContact CG-CG1 3.95Å
63Y98.4Very high97.5Very high35 Ų3559.6 Ų59.614%0.13732%0.32CS..EExtended strand (participates in β ladder)trans-97.3139.4179.7-62.7-69.7000112.4L54 T55 F61 F109L54-Y63 HydrophobicContact CB-CD1 4.15Å; L54-Y63 HydrophobicContact CB-CD2 3.9Å; L54-Y63 HydrophobicContact CB-CE1 4.07Å; L54-Y63 HydrophobicContact CB-CE2 3.81Å; L54-Y63 HydrophobicContact CB-CG 4.05Å; L54-Y63 HydrophobicContact CD1-CD1 3.84Å; L54-Y63 HydrophobicContact CD1-CE1 4.27Å; L54-Y63 HydrophobicContact CD1-CG 4.08Å; L54-Y63 HydrophobicContact CD2-CE1 4.14Å; L54-Y63 HydrophobicContact CG-CD1 4.41Å; L54-Y63 HydrophobicContact CG-CE1 4.4Å; L54-Y63 WeakPolarHBondContact O-CE2 3.49Å; L54-Y63 PolarHBondContact O-OH 2.88Å; T55-Y63 HydrophobicContact CG2-CD2 4.34Å; F61-Y63 HydrophobicContact CB-CD1 4.09Å; F61-Y63 HydrophobicContact CB-CD2 4.41Å; F61-Y63 HydrophobicContact CB-CE1 3.62Å; F61-Y63 HydrophobicContact CB-CE2 3.97Å; F61-Y63 HydrophobicContact CB-CG 4.48Å; F61-Y63 HydrophobicContact CD2-CE1 4.07Å; F61-Y63 HydrophobicContact CG-CE1 4.13Å; Y63-F109 VanDerWaalsContact CA-O 3.3Å; Y63-F109 WeakPolarHBondContact CA-O 3.36Å
64I98.4Very high97.3Very high88 Ų8859.8 Ų59.845%0.45134%0.343SS..EExtended strand (participates in β ladder)trans-124.1130169.3-54.8169.5000106.9A108 F109 L111I64-A108 CarbonylContact O-C 3.59Å; I64-A108 WeakPolarHBondContact O-CA 3.46Å; I64-F109 HydrophobicContact CB-CB 4.19Å; I64-F109 HydrophobicContact CB-CD2 4.2Å; I64-F109 HydrophobicContact CG2-CD2 4.31Å; I64-F109 PolarHBondContact N-O 3.19Å; I64-F109 PolarHBondContact O-N 3.1Å; I64-L111 HydrophobicContact CD1-CD1 3.87Å; I64-L111 HydrophobicContact CG1-CD1 4.36Å
65V98.6Very high97.1Very high18 Ų1862.2 Ų62.211%0.10936%0.363CS..EExtended strand (participates in β ladder)trans-128.6128.5177.8-178.30000109.2V47 T50 L51 L54 V106 S107 A108V47-V65 HydrophobicContact CG1-CB 4.4Å; V47-V65 HydrophobicContact CG2-CG1 4.22Å; T50-V65 HydrophobicContact CG2-CG1 4.03Å; T50-V65 HydrophobicContact CG2-CG2 3.79Å; L51-V65 HydrophobicContact CD2-CB 4.36Å; L51-V65 HydrophobicContact CD2-CG2 3.63Å; L51-V65 HydrophobicContact CG-CB 4.33Å; L51-V65 HydrophobicContact CG-CG2 3.9Å; L54-V65 HydrophobicContact CD1-CG2 4.1Å; V65-V106 HydrophobicContact CG1-CG1 3.82Å; V65-S107 CarbonylContact C-O 3.56Å; V65-S107 WeakPolarHBondContact CA-O 3.35Å; V65-A108 HydrophobicContact CG2-CB 4.18Å
66T98.3Very high96.9Very high67 Ų6761.6 Ų61.641%0.41138%0.375SS..EExtended strand (participates in β ladder)trans-114.9144.3172.266.40000109.5V106 S107T66-V106 CarbonylContact O-C 3.56Å; T66-V106 WeakPolarHBondContact O-CA 3.23Å; T66-V106 WeakPolarHBondContact O-CG1 3.07Å; T66-S107 PolarHBondContact N-O 3.35Å; T66-S107 PolarHBondContact O-N 3.25Å
67C98.6Very high96.7Very high22 Ų2258.7 Ų58.715%0.14937%0.365CS..EExtended strand (participates in β ladder)trans-137.1128.5178.9179.60000109.7V46 V47 I105 V106V46-C67 HydrophobicContact CG1-CB 4.39Å; V47-C67 HydrophobicContact CG2-CB 3.7Å; C67-I105 CarbonylContact C-O 3.59Å; C67-I105 WeakPolarHBondContact CA-O 3.31Å; C67-V106 HydrophobicContact CB-CG2 4.17Å
68V98.2Very high96.7Very high58 Ų5864.3 Ų64.335%0.35239%0.389SS..EExtended strand (participates in β ladder)trans-124.9123.6177.8178.40000108.6L77 C104 I105V68-L77 HydrophobicContact CG1-CD2 4.12Å; V68-C104 CarbonylContact O-C 3.5Å; V68-C104 WeakPolarHBondContact O-CA 3.27Å; V68-I105 PolarHBondContact N-O 3.11Å; V68-I105 PolarHBondContact O-N 3.12Å
69I98Very high96.6Very high19 Ų1964.2 Ų64.210%0.09738%0.376CS..EExtended strand (participates in β ladder)trans-113.6127.5172-59.8173.9000108.5I29 Y34 V39 W42 T43 M102 Y103 C104I29-I69 HydrophobicContact CD1-CD1 3.61Å; I29-I69 HydrophobicContact CD1-CG1 4.18Å; I29-I69 HydrophobicContact CG1-CD1 4.39Å; Y34-I69 HydrophobicContact CD2-CG2 4.35Å; Y34-I69 HydrophobicContact CE2-CG2 4.33Å; V39-I69 HydrophobicContact CG1-CB 4.12Å; V39-I69 HydrophobicContact CG2-CG2 4.34Å; W42-I69 HydrophobicContact CB-CD1 3.52Å; W42-I69 HydrophobicContact CE3-CD1 4.29Å; W42-I69 HydrophobicContact CG-CD1 4.5Å; T43-I69 HydrophobicContact CG2-CB 4.49Å; T43-I69 HydrophobicContact CG2-CD1 3.74Å; T43-I69 HydrophobicContact CG2-CG1 3.92Å; I69-M102 HydrophobicContact CG2-CB 4.41Å; I69-M102 HydrophobicContact CG2-SD 3.75Å; I69-Y103 CarbonylContact C-O 3.53Å; I69-Y103 WeakPolarHBondContact CA-O 3.35Å; I69-C104 HydrophobicContact CG1-CB 4.38Å
70M97.7Very high96.6Very high34 Ų3467.1 Ų67.117%0.16741%0.405CS..EExtended strand (participates in β ladder)trans-129.5134179.8-171.5-177.274.400111.4L77 M102 Y103M70-L77 HydrophobicContact CB-CD2 4.15Å; M70-L77 HydrophobicContact CE-CB 3.54Å; M70-L77 HydrophobicContact CE-CD2 4.36Å; M70-L77 HydrophobicContact SD-CB 3.72Å; M70-L77 HydrophobicContact SD-CD1 4.35Å; M70-L77 HydrophobicContact SD-CD2 4.24Å; M70-L77 HydrophobicContact SD-CG 4.34Å; M70-M102 CarbonylContact O-C 3.51Å; M70-M102 WeakPolarHBondContact O-CA 3.35Å; M70-M102 VanDerWaalsContact O-CB 3.23Å; M70-M102 WeakPolarHBondContact O-CB 3.4Å; M70-Y103 HydrophobicContact CE-CD2 3.64Å; M70-Y103 HydrophobicContact CE-CE2 4.01Å; M70-Y103 PolarHBondContact N-O 3.21Å; M70-Y103 PolarHBondContact O-N 2.82Å
71Q98.2Very high96.5Very high84 Ų8467.8 Ų67.839%0.39341%0.411SS..EExtended strand (participates in β ladder)trans-63.3139.7172.4-169.11771400111.7Y34 N73Y34-Q71 HydrophobicContact CD1-CB 3.79Å; Y34-Q71 HydrophobicContact CD1-CG 3.56Å; Y34-Q71 HydrophobicContact CD2-CB 4.01Å; Y34-Q71 HydrophobicContact CD2-CG 4.44Å; Y34-Q71 HydrophobicContact CE1-CB 3.67Å; Y34-Q71 HydrophobicContact CE1-CG 3.84Å; Y34-Q71 HydrophobicContact CE2-CB 3.9Å; Y34-Q71 HydrophobicContact CG-CB 3.95Å; Y34-Q71 HydrophobicContact CG-CG 3.88Å; Q71-N73 HydrophobicContact CG-CB 4.48Å; Q71-N73 PolarHBondContact O-N 3.21Å
72K97.1Very high96.5Very high64 Ų6473 Ų7328%0.27845%0.45SS..  trans-80.496.5167.6-73.2-179.1175.6-1700110.2E98 N99 T101 M102 Y103K72-E98 WeakPolarHBondContact CE-OE2 3.28Å; K72-E98 IonicContact NZ-OE2 2.62Å; K72-E98 PolarHBondContact NZ-OE2 3.37Å; K72-N99 WeakPolarHBondContact CD-O 3.43Å; K72-N99 WeakPolarHBondContact CE-O 3.2Å; K72-N99 PolarHBondContact NZ-O 3.35Å; K72-T101 PolarHBondContact N-O 2.81Å; K72-M102 WeakPolarHBondContact CE-O 3.27Å; K72-Y103 HydrophobicContact CD-CE2 4.25Å; K72-Y103 VanDerWaalsContact CE-CZ 3.44Å; K72-Y103 HydrophobicContact CG-CD2 3.78Å; K72-Y103 HydrophobicContact CG-CE2 3.5Å; K72-Y103 HydrophobicContact CG-CG 4.47Å
73N96.3Very high96.3Very high107 Ų10769.1 Ų69.157%0.57244%0.439SS*.SBendtrans-131.919.6178.163.64.1000112.6Q71 A75Q71-N73 HydrophobicContact CG-CB 4.48Å; Q71-N73 PolarHBondContact O-N 3.21Å; N73-A75 VanDerWaalsContact C-N 3.35Å; N73-A75 WeakPolarHBondContact OD1-CB 3.43Å; N73-A75 PolarHBondContact OD1-N 2.93Å; N73-A75 VanDerWaalsContact OD1-N 3.15Å
74G95Very high96.2Very high85 Ų8577.8 Ų77.888%0.87648%0.478SS*.SBendtrans90.1-9.3-17600000114.5
75A94.4Very high96.1Very high51 Ų5177.3 Ų77.342%0.42147%0.47SS..  trans-68.6145171.400000111.9N73N73-A75 VanDerWaalsContact C-N 3.35Å; N73-A75 WeakPolarHBondContact OD1-CB 3.43Å; N73-A75 PolarHBondContact OD1-N 2.93Å; N73-A75 VanDerWaalsContact OD1-N 3.15Å
76G92.6Very high95.9Very high75 Ų7580 Ų8077%0.77348%0.484SS*.  trans-86.315417000000112
77L93.6Very high95.6Very high71 Ų7182 Ų8237%0.37250%0.501SS..  trans-129.8129.6172179.159000109.2V68 M70 T79 I105V68-L77 HydrophobicContact CG1-CD2 4.12Å; M70-L77 HydrophobicContact CB-CD2 4.15Å; M70-L77 HydrophobicContact CE-CB 3.54Å; M70-L77 HydrophobicContact CE-CD2 4.36Å; M70-L77 HydrophobicContact SD-CB 3.72Å; M70-L77 HydrophobicContact SD-CD1 4.35Å; M70-L77 HydrophobicContact SD-CD2 4.24Å; M70-L77 HydrophobicContact SD-CG 4.34Å; L77-T79 HydrophobicContact CD1-CG2 4.23Å; L77-T79 HydrophobicContact CD2-CG2 4.46Å; L77-T79 HydrophobicContact CG-CG2 4.14Å; L77-I105 HydrophobicContact CD2-CD1 3.48Å; L77-I105 VanDerWaalsContact CD2-CD1 3.48Å; L77-I105 HydrophobicContact CD2-CG1 4.28Å; L77-I105 HydrophobicContact CG-CD1 4.1Å
78H94.7Very high95.3Very high169 Ų16985.7 Ų85.778%0.78253%0.527SS*.  trans-120.9122.7172.4-172.7-89.4000109.1
79T94.5Very high95.1Very high65 Ų6585.5 Ų85.540%0.39953%0.526SS..  trans-121.8130.2175.756.30000108.6L77 I105L77-T79 HydrophobicContact CD1-CG2 4.23Å; L77-T79 HydrophobicContact CD2-CG2 4.46Å; L77-T79 HydrophobicContact CG-CG2 4.14Å; T79-I105 HydrophobicContact CG2-CD1 3.83Å; T79-I105 HydrophobicContact CG2-CG2 4.43Å
80A95.2Very high95Very high91 Ų9185.9 Ų85.975%0.75253%0.528SS*.  trans-135.4146.6173.900000109.2
81S94.1Very high95Very high70 Ų7084.8 Ų84.849%0.4953%0.526SS..  trans-120.5146.8170.751.50000109
82S95.9Very high95Very high125 Ų12582.8 Ų82.887%0.87452%0.521SS*.  trans-132.6134.7171.4-176.90000107.5
83C94Very high95Very high53 Ų5380.1 Ų80.136%0.35851%0.51SS..  trans-131.8140.6-173.8-56.90000109.7W85C83-W85 HydrophobicContact CB-CD2 3.49Å; C83-W85 VanDerWaalsContact CB-CD2 3.49Å; C83-W85 VanDerWaalsContact CB-CE2 3.47Å; C83-W85 HydrophobicContact CB-CE3 3.69Å; C83-W85 HydrophobicContact CB-CG 4.11Å; C83-W85 HydrophobicContact CB-CH2 3.9Å; C83-W85 HydrophobicContact CB-CZ2 3.68Å; C83-W85 HydrophobicContact CB-CZ3 3.9Å; C83-W85 WeakPolarHBondContact SG-CH2 3.26Å
84F96.4Very high95.1Very high217 Ų21778.5 Ų78.595%0.95250%0.504SS*.  trans-123.8102.3170179.7-112.7000107.7
85W96.2Very high95.2Very high78 Ų7874.8 Ų74.830%0.29546%0.464SS..SBendtrans-162.8-179-165.465.420.4000111.4C83 S87 D90 F109 L111C83-W85 HydrophobicContact CB-CD2 3.49Å; C83-W85 VanDerWaalsContact CB-CD2 3.49Å; C83-W85 VanDerWaalsContact CB-CE2 3.47Å; C83-W85 HydrophobicContact CB-CE3 3.69Å; C83-W85 HydrophobicContact CB-CG 4.11Å; C83-W85 HydrophobicContact CB-CH2 3.9Å; C83-W85 HydrophobicContact CB-CZ2 3.68Å; C83-W85 HydrophobicContact CB-CZ3 3.9Å; C83-W85 WeakPolarHBondContact SG-CH2 3.26Å; W85-S87 PolarHBondContact O-N 2.97Å; W85-D90 HydrophobicContact CB-CB 4.13Å; W85-D90 VanDerWaalsContact CB-OD2 3.28Å; W85-D90 WeakPolarHBondContact CB-OD2 3.38Å; W85-D90 HydrophobicContact CD2-CB 3.72Å; W85-D90 HydrophobicContact CE3-CB 4.05Å; W85-D90 HydrophobicContact CG-CB 3.76Å; W85-F109 AromaticContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CE1 4.47Å; W85-F109 HydrophobicContact CZ3-CB 4.24Å; W85-F109 AromaticContact CZ3-CD1 3.77Å; W85-F109 HydrophobicContact CZ3-CD1 3.77Å; W85-F109 HydrophobicContact CZ3-CG 4.49Å; W85-L111 HydrophobicContact CE3-CD2 4.48Å; W85-L111 HydrophobicContact CE3-CG 4.24Å; W85-L111 HydrophobicContact CZ3-CD1 4.46Å; W85-L111 HydrophobicContact CZ3-CG 4.49Å
86D95.4Very high95.3Very high74 Ų7480 Ų8040%0.39647%0.473SS..  trans-85.1108.2177.1178.31.8000111.2S88 T89 D90D86-S88 PolarHBondContact O-N 3.36Å; D86-S88 WeakPolarHBondContact OD1-CB 3.23Å; D86-S88 PolarHBondContact OD1-N 3.26Å; D86-S88 PolarHBondContact OD1-OG 3.47Å; D86-S88 PolarHBondContact OD2-OG 3.21Å; D86-S88 VanDerWaalsContact OD2-OG 3.08Å; D86-T89 WeakPolarHBondContact CB-OG1 3.17Å; D86-T89 VanDerWaalsContact CG-OG1 3.26Å; D86-T89 PolarHBondContact O-N 3.38Å; D86-T89 PolarHBondContact OD2-OG1 3.46Å; D86-D90 PolarHBondContact N-OD2 3.23Å; D86-D90 VanDerWaalsContact O-CB 3.28Å; D86-D90 WeakPolarHBondContact O-CB 3.3Å; D86-D90 PolarHBondContact O-N 2.98Å
87S92.5Very high95.6Very high111 Ų11178.4 Ų78.478%0.77644%0.444SS*.THydrogen-bonded Turntrans-66.2-8.6-179.558.20000115W85W85-S87 PolarHBondContact O-N 2.97Å
88S91.8Very high95.7Very high98 Ų9879 Ų7969%0.68545%0.445SS*.THydrogen-bonded Turntrans-88.2-24.7176.571.70000113.3D86D86-S88 PolarHBondContact O-N 3.36Å; D86-S88 WeakPolarHBondContact OD1-CB 3.23Å; D86-S88 PolarHBondContact OD1-N 3.26Å; D86-S88 PolarHBondContact OD1-OG 3.47Å; D86-S88 PolarHBondContact OD2-OG 3.21Å; D86-S88 VanDerWaalsContact OD2-OG 3.08Å
89T93.4Very high95.8Very high54 Ų5472.5 Ų72.533%0.33142%0.416SS..THydrogen-bonded Turntrans-121.9-32.7-173.754.20000112.7F61 D86F61-T89 VanDerWaalsContact CE1-O 3.27Å; F61-T89 WeakPolarHBondContact CE1-O 3.42Å; D86-T89 WeakPolarHBondContact CB-OG1 3.17Å; D86-T89 VanDerWaalsContact CG-OG1 3.26Å; D86-T89 PolarHBondContact O-N 3.38Å; D86-T89 PolarHBondContact OD2-OG1 3.46Å
90D96.6Very high95.8Very high28 Ų2879 Ų7915%0.1544%0.439CS..  trans-92.1150.4-177.7-54-46.9000112.2W85 D86 G110 L111 S112W85-D90 HydrophobicContact CB-CB 4.13Å; W85-D90 VanDerWaalsContact CB-OD2 3.28Å; W85-D90 WeakPolarHBondContact CB-OD2 3.38Å; W85-D90 HydrophobicContact CD2-CB 3.72Å; W85-D90 HydrophobicContact CE3-CB 4.05Å; W85-D90 HydrophobicContact CG-CB 3.76Å; D86-D90 PolarHBondContact N-OD2 3.23Å; D86-D90 VanDerWaalsContact O-CB 3.28Å; D86-D90 WeakPolarHBondContact O-CB 3.3Å; D86-D90 PolarHBondContact O-N 2.98Å; D90-G110 WeakPolarHBondContact CA-O 3.37Å; D90-L111 WeakPolarHBondContact OD1-CA 3.37Å; D90-S112 PolarHBondContact OD1-N 3.32Å
91G96.8Very high96Very high11 Ų1176.8 Ų76.811%0.11342%0.416CS..EExtended strand (participates in β ladder)trans-153.4161.7-177.500000114.4F109 G110G91-F109 CarbonylContact O-C 3.53Å; G91-F109 WeakPolarHBondContact O-CA 3.42Å; G91-G110 PolarHBondContact N-O 3.39Å; G91-G110 PolarHBondContact O-N 3.21Å
92S97.8Very high96.1Very high42 Ų4273.5 Ų73.529%0.29439%0.392SS..EExtended strand (participates in β ladder)trans-136.4156.2169.853.40000112.3A108S92-A108 CarbonylContact C-O 3.56Å; S92-A108 WeakPolarHBondContact CA-O 3.35Å; S92-A108 WeakPolarHBondContact CB-O 3.36Å
93C97.3Very high96.2Very high8 Ų870.5 Ų70.55%0.05436%0.362CS..EExtended strand (participates in β ladder)trans-136.8123.6173.1-178.40000108.5F12 V14 V17 S107 A108F12-C93 HydrophobicContact CE1-CB 4.22Å; F12-C93 HydrophobicContact CZ-CB 4.22Å; V14-C93 HydrophobicContact CG1-CB 4.22Å; V17-C93 HydrophobicContact CB-CB 4.22Å; V17-C93 HydrophobicContact CG1-CB 3.71Å; C93-S107 CarbonylContact O-C 3.56Å; C93-S107 WeakPolarHBondContact O-CA 3.24Å; C93-A108 PolarHBondContact N-O 3.15Å; C93-A108 PolarHBondContact O-N 3.16Å
94T98.1Very high96.4Very high72 Ų7268 Ų6844%0.44235%0.345SS..EExtended strand (participates in β ladder)trans-110.9118.8171.6-62.40000109.5I105 V106 S107T94-I105 HydrophobicContact CG2-CG2 3.87Å; T94-V106 CarbonylContact C-O 3.51Å; T94-V106 WeakPolarHBondContact CA-O 3.27Å; T94-S107 WeakPolarHBondContact CG2-OG 3.42Å; T94-S107 PolarHBondContact OG1-OG 3.5Å
95V98.2Very high96.5Very high7 Ų758.5 Ų58.54%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-102.8125.6173.7176.90000109V21 K22 I25 I105 V106V21-V95 HydrophobicContact CB-CB 4.36Å; V21-V95 HydrophobicContact CB-CG2 3.85Å; V21-V95 HydrophobicContact CG1-CB 3.58Å; V21-V95 HydrophobicContact CG1-CG1 4.16Å; V21-V95 HydrophobicContact CG1-CG2 3.62Å; K22-V95 HydrophobicContact CG-CG1 3.83Å; I25-V95 HydrophobicContact CD1-CG1 4.01Å; V95-I105 WeakPolarHBondContact O-CA 3.45Å; V95-V106 PolarHBondContact N-O 3.46Å; V95-V106 PolarHBondContact O-N 3.18Å
96R97Very high96.6Very high161 Ų16154.8 Ų54.861%0.60829%0.29SS*.EExtended strand (participates in β ladder)trans-102.3118.7167.9177.5179.8161.8177.8-5.9108.6E98R96-E98 IonicContact CZ-OE1 3.6Å; R96-E98 IonicContact NE-OE1 3.46Å; R96-E98 PolarHBondContact NE-OE1 3.01Å; R96-E98 IonicContact NH2-OE1 2.91Å; R96-E98 PolarHBondContact NH2-OE1 2.99Å
97W97.4Very high96.7Very high42 Ų4251.8 Ų51.816%0.15928%0.276CS..EExtended strand (participates in β ladder)trans-118.2149.6173.1-178.7102.9000109.6I25 E26 I29 G30 N99 M102 C104I25-W97 HydrophobicContact CD1-CB 3.95Å; I25-W97 HydrophobicContact CG2-CB 3.88Å; I25-W97 HydrophobicContact CG2-CD2 3.55Å; I25-W97 HydrophobicContact CG2-CE3 4.01Å; I25-W97 HydrophobicContact CG2-CG 3.5Å; I25-W97 VanDerWaalsContact CG2-CG 3.5Å; E26-W97 PolarHBondContact OE2-NE1 3.34Å; I29-W97 HydrophobicContact CB-CH2 4.44Å; I29-W97 HydrophobicContact CG2-CH2 3.69Å; I29-W97 HydrophobicContact CG2-CZ3 3.84Å; G30-W97 VanDerWaalsContact O-CH2 3.3Å; G30-W97 WeakPolarHBondContact O-CH2 3.35Å; G30-W97 WeakPolarHBondContact O-CZ2 3.32Å; W97-N99 HydrophobicContact CH2-CB 3.59Å; W97-N99 WeakPolarHBondContact CH2-ND2 3.28Å; W97-N99 HydrophobicContact CZ2-CB 4.23Å; W97-N99 HydrophobicContact CZ3-CB 3.96Å; W97-M102 HydrophobicContact CZ3-CG 4.49Å; W97-C104 HydrophobicContact CB-CB 4.37Å; W97-C104 HydrophobicContact CE3-CB 3.88Å; W97-C104 PolarHBondContact N-O 3.03Å; W97-C104 PolarHBondContact O-N 3.47Å; W97-C104 VanDerWaalsContact O-O 3.07Å
98E96.4Very high97Very high83 Ų8346.5 Ų46.539%0.38824%0.239SC..EExtended strand (participates in β ladder)trans-151.8150.7176.262.7-176106.400111.9K72 R96 M102 Y103K72-E98 WeakPolarHBondContact CE-OE2 3.28Å; K72-E98 IonicContact NZ-OE2 2.62Å; K72-E98 PolarHBondContact NZ-OE2 3.37Å; R96-E98 IonicContact CZ-OE1 3.6Å; R96-E98 IonicContact NE-OE1 3.46Å; R96-E98 PolarHBondContact NE-OE1 3.01Å; R96-E98 IonicContact NH2-OE1 2.91Å; R96-E98 PolarHBondContact NH2-OE1 2.99Å; E98-M102 WeakPolarHBondContact CA-O 3.28Å; E98-Y103 HydrophobicContact CB-CD1 3.77Å; E98-Y103 HydrophobicContact CB-CE1 4.24Å; E98-Y103 VanDerWaalsContact OE2-CE1 3.27Å; E98-Y103 WeakPolarHBondContact OE2-CE1 3.43Å
99N96.1Very high97.4Very high33 Ų3343 Ų4318%0.17621%0.211CC..  trans-124.3-166.4166.374.719.1000110.3N32 K72 W97 T101 M102N32-N99 PolarHBondContact O-ND2 2.83Å; K72-N99 WeakPolarHBondContact CD-O 3.43Å; K72-N99 WeakPolarHBondContact CE-O 3.2Å; K72-N99 PolarHBondContact NZ-O 3.35Å; W97-N99 HydrophobicContact CH2-CB 3.59Å; W97-N99 WeakPolarHBondContact CH2-ND2 3.28Å; W97-N99 HydrophobicContact CZ2-CB 4.23Å; W97-N99 HydrophobicContact CZ3-CB 3.96Å; N99-T101 PolarHBondContact O-N 2.88Å; N99-T101 VanDerWaalsContact O-N 3.12Å; N99-T101 PolarHBondContact OD1-N 2.99Å; N99-T101 PolarHBondContact OD1-OG1 3.46Å; N99-M102 PolarHBondContact N-O 3.37Å; N99-M102 VanDerWaalsContact N-O 3.08Å; N99-M102 WeakPolarHBondContact ND2-CE 3.38Å; N99-M102 WeakPolarHBondContact OD1-CG 3.36Å; N99-M102 PolarHBondContact OD1-N 3.41Å; N99-M102 VanDerWaalsContact OD1-N 3.13Å
100K96.3Very high97.6Very high202 Ų20240.4 Ų40.488%0.87820%0.195SC*.SBendtrans-60.7-22.2-178.3-66.7-178179.8177.30114.4
101T97.6Very high97.6Very high44 Ų4441.6 Ų41.627%0.2720%0.201SC..SBendtrans-124.6-12.6-166.162.80000115.2A33 Y34 K72 N99A33-T101 WeakPolarHBondContact CA-OG1 3.27Å; A33-T101 HydrophobicContact CB-CG2 4.15Å; Y34-T101 PolarHBondContact N-OG1 3.24Å; K72-T101 PolarHBondContact N-O 2.81Å; N99-T101 PolarHBondContact O-N 2.88Å; N99-T101 VanDerWaalsContact O-N 3.12Å; N99-T101 PolarHBondContact OD1-N 2.99Å; N99-T101 PolarHBondContact OD1-OG1 3.46Å
102M97.7Very high97.6Very high0 Ų043.3 Ų43.30%021%0.212CC..EExtended strand (participates in β ladder)trans-154.2161-179.254.7-176.6156.600113.4I29 N32 Y34 W42 I69 M70 K72 W97 E98 N99I29-M102 HydrophobicContact CG2-CE 3.2Å; I29-M102 HydrophobicContact CG2-SD 4.21Å; N32-M102 WeakPolarHBondContact O-CE 3.37Å; Y34-M102 HydrophobicContact CD2-CB 3.93Å; Y34-M102 HydrophobicContact CD2-SD 4.06Å; Y34-M102 HydrophobicContact CG-CB 4.45Å; W42-M102 HydrophobicContact CE3-SD 4.37Å; W42-M102 HydrophobicContact CH2-CE 4.21Å; W42-M102 HydrophobicContact CZ3-CE 4.03Å; W42-M102 HydrophobicContact CZ3-SD 3.96Å; I69-M102 HydrophobicContact CG2-CB 4.41Å; I69-M102 HydrophobicContact CG2-SD 3.75Å; M70-M102 CarbonylContact O-C 3.51Å; M70-M102 WeakPolarHBondContact O-CA 3.35Å; M70-M102 VanDerWaalsContact O-CB 3.23Å; M70-M102 WeakPolarHBondContact O-CB 3.4Å; K72-M102 WeakPolarHBondContact CE-O 3.27Å; W97-M102 HydrophobicContact CZ3-CG 4.49Å; E98-M102 WeakPolarHBondContact CA-O 3.28Å; N99-M102 PolarHBondContact N-O 3.37Å; N99-M102 VanDerWaalsContact N-O 3.08Å; N99-M102 WeakPolarHBondContact ND2-CE 3.38Å; N99-M102 WeakPolarHBondContact OD1-CG 3.36Å; N99-M102 PolarHBondContact OD1-N 3.41Å; N99-M102 VanDerWaalsContact OD1-N 3.13Å
103Y97.1Very high97.3Very high62 Ų6248.5 Ų48.524%0.24324%0.235CC..EExtended strand (participates in β ladder)trans-102.7144.5163.7-59.4-76.3000109.4I69 M70 K72 E98I69-Y103 CarbonylContact C-O 3.53Å; I69-Y103 WeakPolarHBondContact CA-O 3.35Å; M70-Y103 HydrophobicContact CE-CD2 3.64Å; M70-Y103 HydrophobicContact CE-CE2 4.01Å; M70-Y103 PolarHBondContact N-O 3.21Å; M70-Y103 PolarHBondContact O-N 2.82Å; K72-Y103 HydrophobicContact CD-CE2 4.25Å; K72-Y103 VanDerWaalsContact CE-CZ 3.44Å; K72-Y103 HydrophobicContact CG-CD2 3.78Å; K72-Y103 HydrophobicContact CG-CE2 3.5Å; K72-Y103 HydrophobicContact CG-CG 4.47Å; E98-Y103 HydrophobicContact CB-CD1 3.77Å; E98-Y103 HydrophobicContact CB-CE1 4.24Å; E98-Y103 VanDerWaalsContact OE2-CE1 3.27Å; E98-Y103 WeakPolarHBondContact OE2-CE1 3.43Å
104C98.1Very high97.3Very high0 Ų050.6 Ų50.60%024%0.244CC..EExtended strand (participates in β ladder)trans-127.3120.8168.4-175.30000108.1I25 I29 V68 I69 W97I25-C104 HydrophobicContact CG2-CB 4.5Å; I29-C104 HydrophobicContact CD1-CB 4.04Å; V68-C104 CarbonylContact O-C 3.5Å; V68-C104 WeakPolarHBondContact O-CA 3.27Å; I69-C104 HydrophobicContact CG1-CB 4.38Å; W97-C104 HydrophobicContact CB-CB 4.37Å; W97-C104 HydrophobicContact CE3-CB 3.88Å; W97-C104 PolarHBondContact N-O 3.03Å; W97-C104 PolarHBondContact O-N 3.47Å; W97-C104 VanDerWaalsContact O-O 3.07Å
105I98.2Very high97.3Very high18 Ų1849.4 Ų49.49%0.09223%0.233CC..EExtended strand (participates in β ladder)trans-118.1119.3177.6-55.7-179.8000107.6C67 V68 L77 T79 T94 V95C67-I105 CarbonylContact C-O 3.59Å; C67-I105 WeakPolarHBondContact CA-O 3.31Å; V68-I105 PolarHBondContact N-O 3.11Å; V68-I105 PolarHBondContact O-N 3.12Å; L77-I105 HydrophobicContact CD2-CD1 3.48Å; L77-I105 VanDerWaalsContact CD2-CD1 3.48Å; L77-I105 HydrophobicContact CD2-CG1 4.28Å; L77-I105 HydrophobicContact CG-CD1 4.1Å; T79-I105 HydrophobicContact CG2-CD1 3.83Å; T79-I105 HydrophobicContact CG2-CG2 4.43Å; T94-I105 HydrophobicContact CG2-CG2 3.87Å; V95-I105 WeakPolarHBondContact O-CA 3.45Å
106V98.6Very high97.2Very high0 Ų051.8 Ų51.80%024%0.244CC..EExtended strand (participates in β ladder)trans-119.8127.8178.6-177.50000108.4V21 I25 V46 V65 T66 C67 T94 V95V21-V106 HydrophobicContact CG1-CB 3.56Å; V21-V106 HydrophobicContact CG1-CG1 3.59Å; V21-V106 HydrophobicContact CG1-CG2 4.2Å; V21-V106 HydrophobicContact CG2-CG1 4.32Å; I25-V106 HydrophobicContact CD1-CB 4.33Å; I25-V106 HydrophobicContact CD1-CG2 3.69Å; I25-V106 HydrophobicContact CG1-CG2 3.89Å; V46-V106 HydrophobicContact CG1-CG1 4.32Å; V46-V106 HydrophobicContact CG1-CG2 3.61Å; V65-V106 HydrophobicContact CG1-CG1 3.82Å; T66-V106 CarbonylContact O-C 3.56Å; T66-V106 WeakPolarHBondContact O-CA 3.23Å; T66-V106 WeakPolarHBondContact O-CG1 3.07Å; C67-V106 HydrophobicContact CB-CG2 4.17Å; T94-V106 CarbonylContact C-O 3.51Å; T94-V106 WeakPolarHBondContact CA-O 3.27Å; V95-V106 PolarHBondContact N-O 3.46Å; V95-V106 PolarHBondContact O-N 3.18Å
107S98.5Very high97.2Very high12 Ų1245.4 Ų45.48%0.08422%0.222CC..EExtended strand (participates in β ladder)trans-118123.3173.2-55.60000109.9V65 T66 C93 T94V65-S107 CarbonylContact C-O 3.56Å; V65-S107 WeakPolarHBondContact CA-O 3.35Å; T66-S107 PolarHBondContact N-O 3.35Å; T66-S107 PolarHBondContact O-N 3.25Å; C93-S107 CarbonylContact O-C 3.56Å; C93-S107 WeakPolarHBondContact O-CA 3.24Å; T94-S107 WeakPolarHBondContact CG2-OG 3.42Å; T94-S107 PolarHBondContact OG1-OG 3.5Å
108A98.7Very high97.2Very high0 Ų045.6 Ų45.60%023%0.226CC..EExtended strand (participates in β ladder)trans-106.6139.517300000109.5V17 V21 L54 I64 V65 S92 C93V17-A108 HydrophobicContact CG1-CB 3.78Å; V21-A108 HydrophobicContact CG2-CB 4.39Å; L54-A108 HydrophobicContact CD1-CB 4.34Å; I64-A108 CarbonylContact O-C 3.59Å; I64-A108 WeakPolarHBondContact O-CA 3.46Å; V65-A108 HydrophobicContact CG2-CB 4.18Å; S92-A108 CarbonylContact C-O 3.56Å; S92-A108 WeakPolarHBondContact CA-O 3.35Å; S92-A108 WeakPolarHBondContact CB-O 3.36Å; C93-A108 PolarHBondContact N-O 3.15Å; C93-A108 PolarHBondContact O-N 3.16Å
109F98.5Very high97.3Very high23 Ų2343.1 Ų43.110%0.10122%0.215CC..EExtended strand (participates in β ladder)trans-126133.5176.3-52.4-100.9000107.7Y63 I64 W85 G91 L111Y63-F109 VanDerWaalsContact CA-O 3.3Å; Y63-F109 WeakPolarHBondContact CA-O 3.36Å; I64-F109 HydrophobicContact CB-CB 4.19Å; I64-F109 HydrophobicContact CB-CD2 4.2Å; I64-F109 HydrophobicContact CG2-CD2 4.31Å; I64-F109 PolarHBondContact N-O 3.19Å; I64-F109 PolarHBondContact O-N 3.1Å; W85-F109 AromaticContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CE1 4.47Å; W85-F109 HydrophobicContact CZ3-CB 4.24Å; W85-F109 AromaticContact CZ3-CD1 3.77Å; W85-F109 HydrophobicContact CZ3-CD1 3.77Å; W85-F109 HydrophobicContact CZ3-CG 4.49Å; G91-F109 CarbonylContact O-C 3.53Å; G91-F109 WeakPolarHBondContact O-CA 3.42Å; F109-L111 HydrophobicContact CB-CD1 4.09Å
110G98.2Very high97.4Very high0 Ų043.8 Ų43.80%022%0.218CC..EExtended strand (participates in β ladder)trans-115.2119.8170.300000109D90 G91D90-G110 WeakPolarHBondContact CA-O 3.37Å; G91-G110 PolarHBondContact N-O 3.39Å; G91-G110 PolarHBondContact O-N 3.21Å
111L97.8Very high97.5Very high53 Ų5331.6 Ų31.628%0.27717%0.168SC..EExtended strand (participates in β ladder)trans-111.2123.4176.8-66.885000109.1F61 K62 I64 W85 D90 F109F61-L111 CarbonylContact C-O 3.59Å; F61-L111 WeakPolarHBondContact CA-O 3.47Å; K62-L111 PolarHBondContact N-O 2.82Å; K62-L111 PolarHBondContact O-N 3.35Å; I64-L111 HydrophobicContact CD1-CD1 3.87Å; I64-L111 HydrophobicContact CG1-CD1 4.36Å; W85-L111 HydrophobicContact CE3-CD2 4.48Å; W85-L111 HydrophobicContact CE3-CG 4.24Å; W85-L111 HydrophobicContact CZ3-CD1 4.46Å; W85-L111 HydrophobicContact CZ3-CG 4.49Å; D90-L111 WeakPolarHBondContact OD1-CA 3.37Å; F109-L111 HydrophobicContact CB-CD1 4.09Å
112S95.6Very high97.5Very high48 Ų4830.6 Ų30.634%0.33616%0.159SC..EExtended strand (participates in β ladder)trans-59.3142.3-178.4-171.60000110.4D90D90-S112 PolarHBondContact OD1-N 3.32Å
113I92.5Very high97.4Very high151 Ų15133.4 Ų33.477%0.77417%0.173SC*.  trans-84.10178.8-66.5172.7000111.1P60 K62P60-I113 WeakPolarHBondContact O-CG1 3.49Å; P60-I113 PolarHBondContact O-N 3Å; K62-I113 HydrophobicContact CG-CD1 4.3Å; K62-I113 HydrophobicContact CG-CG1 3.95Å

Retrieved 113 of 113 residues in 271.8 ms (Link to these results)