RBM14_HUMAN Loading...

RNA-binding protein 14

Isoform 1 may function as a nuclear receptor coactivator, enhancing transcription through other coactivators such as NCOA6 and CITED1. Isoform 2, functions as a transcriptional repressor, modulating transcriptional activities of coactivators including isoform 1, NCOA6 and CITED11. Regulates centriole biogenesis by suppressing the formation of aberrant centriolar protein complexes in the cytoplasm and thus preserving mitotic spindle integrity. Prevents the formation of the STIL-CPAP complex (which can induce the formation of aberrant centriolar protein complexes) by interfering with the interaction of STIL with CPAP2. Plays a role in the regulation of DNA virus-mediated innate immune response by assembling into the HDP-RNP complex, a complex that serves as a platform for IRF3 phosphorylation and subsequent innate immune response activation through the cGAS-STING pathway3. Also involved in the regulation of pre-mRNA alternative splicing4.

AlphaFold DB , UniProt , Accession Q96PK6, Species HUMAN (Homo sapiens, Human), Gene RBM14, Length 669 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M88.2Confident86.3Confident54 Ų5437.5 Ų37.527%0.26623%0.226SC..  0145.30179.2166167.900110.1H41 M42 N45 A48 L49 I52 M70M1-H41 CarbonylContact O-C 3.57Å; M1-H41 WeakPolarHBondContact O-CA 3.27Å; M1-M42 PolarHBondContact N-O 3.4Å; M1-M42 PolarHBondContact O-N 3.22Å; M1-N45 HydrophobicContact SD-CB 4.41Å; M1-A48 HydrophobicContact CB-CB 3.86Å; M1-A48 HydrophobicContact CE-CB 4.3Å; M1-A48 HydrophobicContact CG-CB 3.86Å; M1-A48 HydrophobicContact SD-CB 3.53Å; M1-A48 VanDerWaalsContact SD-CB 3.53Å; M1-L49 HydrophobicContact CE-CD2 4.43Å; M1-I52 HydrophobicContact CE-CD1 3.77Å; M1-M70 HydrophobicContact CE-CB 4.13Å; M1-M70 HydrophobicContact CE-CE 4.11Å; M1-M70 HydrophobicContact CE-CG 3.53Å; M1-M70 HydrophobicContact CE-SD 3.77Å
2K92.8Very high85.8Confident79 Ų7940.6 Ų40.634%0.34324%0.241SC..EExtended strand (participates in β ladder)trans-103.4131.4177.2-169.6-176.6176.8179.60110.6F39 H41 S71K2-F39 HydrophobicContact CD-CD1 4.41Å; K2-F39 VanDerWaalsContact CE-CG 3.45Å; K2-H41 WeakPolarHBondContact CD-NE2 3.31Å; K2-H41 WeakPolarHBondContact CG-NE2 3.29Å; K2-S71 VanDerWaalsContact CD-OG 3.31Å; K2-S71 WeakPolarHBondContact CD-OG 3.33Å; K2-S71 WeakPolarHBondContact CE-OG 3.42Å; K2-S71 VanDerWaalsContact CG-CB 3.49Å; K2-S71 VanDerWaalsContact O-CB 3.24Å; K2-S71 WeakPolarHBondContact O-CB 3.43Å; K2-S71 PolarHBondContact O-N 3.42Å
3I93.3Very high85.6Confident0 Ų038.1 Ų38.10%023%0.226CC..EExtended strand (participates in β ladder)trans-112.6140.9-179.9-54.7179.3000108.3V5 F22 F39 V40 M42 A48 A51 I52 V68 E69I3-V5 HydrophobicContact CG2-CG2 4.26Å; I3-F22 HydrophobicContact CD1-CD1 3.87Å; I3-F22 HydrophobicContact CD1-CE1 3.57Å; I3-F22 HydrophobicContact CG2-CE1 3.98Å; I3-F22 HydrophobicContact CG2-CZ 4.25Å; I3-F39 WeakPolarHBondContact O-CA 3.27Å; I3-V40 HydrophobicContact CB-CB 4.36Å; I3-V40 WeakPolarHBondContact CB-O 3.46Å; I3-V40 PolarHBondContact N-O 3.27Å; I3-V40 PolarHBondContact O-N 3.33Å; I3-M42 HydrophobicContact CD1-CG 3.53Å; I3-M42 HydrophobicContact CG1-CG 4.3Å; I3-A48 HydrophobicContact CD1-CB 3.75Å; I3-A48 HydrophobicContact CG1-CB 4.12Å; I3-A51 HydrophobicContact CD1-CB 4.29Å; I3-I52 HydrophobicContact CD1-CG1 4.38Å; I3-I52 HydrophobicContact CG1-CD1 4.41Å; I3-I52 HydrophobicContact CG1-CG1 4.47Å; I3-I52 HydrophobicContact CG2-CG1 4.07Å; I3-V68 HydrophobicContact CG2-CG1 3.49Å; I3-V68 VanDerWaalsContact CG2-CG1 3.49Å; I3-E69 WeakPolarHBondContact CA-O 3.35Å; I3-E69 VanDerWaalsContact CG2-O 3.31Å; I3-E69 WeakPolarHBondContact CG2-O 3.43Å
4F92.5Very high85.8Confident60 Ų6040.1 Ų40.126%0.26324%0.239SC..EExtended strand (participates in β ladder)trans-101.6133168.4171.2-99.3000108.8F37 F39 V68 E69F4-F37 HydrophobicContact CD2-CB 4.38Å; F4-F37 HydrophobicContact CD2-CD2 4.46Å; F4-F37 HydrophobicContact CE2-CB 3.51Å; F4-F37 HydrophobicContact CE2-CD1 4.39Å; F4-F37 AromaticContact CE2-CD2 3.88Å; F4-F37 HydrophobicContact CE2-CD2 3.88Å; F4-F37 AromaticContact CE2-CG 3.68Å; F4-F37 HydrophobicContact CE2-CG 3.68Å; F4-F37 HydrophobicContact CZ-CB 3.81Å; F4-F37 HydrophobicContact CZ-CG 4.29Å; F4-F39 HydrophobicContact CB-CD1 4.29Å; F4-F39 HydrophobicContact CB-CE1 4.13Å; F4-F39 HydrophobicContact CD2-CD1 4.18Å; F4-F39 AromaticContact CD2-CE1 3.61Å; F4-F39 HydrophobicContact CD2-CE1 3.61Å; F4-F39 HydrophobicContact CD2-CZ 4.04Å; F4-F39 HydrophobicContact CG-CE1 4.36Å; F4-V68 WeakPolarHBondContact O-CA 3.42Å; F4-E69 PolarHBondContact N-O 2.92Å; F4-E69 PolarHBondContact O-N 3.39Å
5V90.3Very high86.1Confident0 Ų041.3 Ų41.30%025%0.248CC..EExtended strand (participates in β ladder)trans-121.596.4178.6-172.70000107I3 V8 L18 F22 F37 A38 V40 L66 V67 V68I3-V5 HydrophobicContact CG2-CG2 4.26Å; V5-V8 HydrophobicContact CB-CG2 4.07Å; V5-V8 HydrophobicContact CG1-CG2 3.45Å; V5-V8 VanDerWaalsContact CG1-CG2 3.45Å; V5-V8 WeakPolarHBondContact O-CG2 3.46Å; V5-L18 HydrophobicContact CG1-CD2 4.4Å; V5-F22 HydrophobicContact CG2-CE2 3.82Å; V5-F22 HydrophobicContact CG2-CZ 3.6Å; V5-F37 CarbonylContact O-C 3.41Å; V5-F37 WeakPolarHBondContact O-CA 3.41Å; V5-F37 WeakPolarHBondContact O-CB 3.43Å; V5-A38 HydrophobicContact CB-CB 4.28Å; V5-A38 PolarHBondContact N-O 2.93Å; V5-A38 PolarHBondContact O-N 2.78Å; V5-V40 HydrophobicContact CG2-CG2 3.99Å; V5-L66 HydrophobicContact CG1-CB 4.4Å; V5-L66 HydrophobicContact CG1-CD1 4.04Å; V5-L66 HydrophobicContact CG1-CD2 4.12Å; V5-L66 HydrophobicContact CG1-CG 4.43Å; V5-V67 CarbonylContact C-O 3.34Å; V5-V68 HydrophobicContact CG1-CG2 4.23Å
6G88.3Confident86.3Confident4 Ų448.3 Ų48.34%0.04128%0.277CS..EExtended strand (participates in β ladder)trans-83.5166.1176.200000112.9V8 V67G6-V8 PolarHBondContact O-N 3.22Å; G6-V67 PolarHBondContact N-O 2.78Å; G6-V67 PolarHBondContact O-N 3.23Å
7N85.9Confident86.5Confident65 Ų6549.1 Ų49.135%0.34828%0.278SS..SBendtrans64.419.3179.2-152.836.8000114.9Q36 A65 V67N7-Q36 PolarHBondContact N-O 3.09Å; N7-Q36 VanDerWaalsContact N-O 3.13Å; N7-A65 WeakPolarHBondContact CB-O 3.36Å; N7-A65 PolarHBondContact ND2-O 3.04Å; N7-V67 HydrophobicContact CB-CG2 4.32Å
8V84.4Confident86.6Confident1 Ų146.3 Ų46.31%0.00626%0.262CS..  trans-75.2139.3170.5178.10000109V5 G6 G10 T13 L18 V33 Q36 A38 L66V5-V8 HydrophobicContact CB-CG2 4.07Å; V5-V8 HydrophobicContact CG1-CG2 3.45Å; V5-V8 VanDerWaalsContact CG1-CG2 3.45Å; V5-V8 WeakPolarHBondContact O-CG2 3.46Å; G6-V8 PolarHBondContact O-N 3.22Å; V8-G10 PolarHBondContact O-N 3.36Å; V8-T13 HydrophobicContact CG1-CG2 3.78Å; V8-L18 HydrophobicContact CG1-CD1 4.26Å; V8-L18 HydrophobicContact CG2-CD1 4.3Å; V8-V33 HydrophobicContact CG1-CG1 4.35Å; V8-Q36 PolarHBondContact N-O 3.33Å; V8-Q36 CarbonylContact O-C 3.45Å; V8-Q36 WeakPolarHBondContact O-CA 3.35Å; V8-A38 HydrophobicContact CG2-CB 4.36Å; V8-L66 HydrophobicContact CG2-CD2 3.71Å
9D81.5Confident86.9Confident26 Ų2645.4 Ų45.414%0.13926%0.261CS..  trans-87.6104167.8-159-32.1000110.7A11 D12 T13 R64D9-A11 PolarHBondContact O-N 3.45Å; D9-A11 VanDerWaalsContact O-N 3.12Å; D9-A11 WeakPolarHBondContact OD1-CB 3.37Å; D9-A11 PolarHBondContact OD1-N 3.35Å; D9-A11 VanDerWaalsContact OD1-N 3.09Å; D9-D12 HydrophobicContact CB-CB 3.91Å; D9-D12 PolarHBondContact O-N 3.05Å; D9-T13 WeakPolarHBondContact O-CB 3.41Å; D9-T13 PolarHBondContact O-N 2.78Å; D9-T13 PolarHBondContact O-OG1 3.22Å; D9-R64 IonicContact OD2-CZ 2.62Å; D9-R64 IonicContact OD2-NH1 3.61Å; D9-R64 PolarHBondContact OD2-NH1 3.21Å; D9-R64 IonicContact OD2-NH2 2.73Å; D9-R64 PolarHBondContact OD2-NH2 3.27Å
10G75.9Confident87Confident31 Ų3146.3 Ų46.332%0.3227%0.274SS..THydrogen-bonded Turntrans-69-5.4-178.400000115.3V8 K35V8-G10 PolarHBondContact O-N 3.36Å; G10-K35 WeakPolarHBondContact CA-O 3.38Å; G10-K35 PolarHBondContact N-O 2.84Å
11A76.7Confident87.1Confident92 Ų9245.9 Ų45.976%0.7627%0.27SS*.THydrogen-bonded Turntrans-85.3-19.6169.500000113D9D9-A11 PolarHBondContact O-N 3.45Å; D9-A11 VanDerWaalsContact O-N 3.12Å; D9-A11 WeakPolarHBondContact OD1-CB 3.37Å; D9-A11 PolarHBondContact OD1-N 3.35Å; D9-A11 VanDerWaalsContact OD1-N 3.09Å
12D80.4Confident87.2Confident75 Ų7543.3 Ų43.340%0.40126%0.258SS..THydrogen-bonded Turntrans-132.6-25.9-154.9-116.7-33.9000112.3D9 R61D9-D12 HydrophobicContact CB-CB 3.91Å; D9-D12 PolarHBondContact O-N 3.05Å; D12-R61 PolarHBondContact O-NH2 3.45Å; D12-R61 IonicContact OD1-CZ 2.89Å; D12-R61 IonicContact OD1-NH1 3.63Å; D12-R61 PolarHBondContact OD1-NH1 3.09Å; D12-R61 IonicContact OD1-NH2 2.71Å; D12-R61 PolarHBondContact OD1-NH2 3.47Å; D12-R61 IonicContact OD2-CZ 3.19Å; D12-R61 IonicContact OD2-NH1 3.53Å; D12-R61 PolarHBondContact OD2-NH1 2.75Å; D12-R61 IonicContact OD2-NH2 3.38Å
13T82.5Confident87.1Confident8 Ų842.2 Ų42.25%0.04926%0.263CS..  trans-100.6123.8176.1-53.20000109.8V8 D9 E17 L18 L60V8-T13 HydrophobicContact CG1-CG2 3.78Å; D9-T13 WeakPolarHBondContact O-CB 3.41Å; D9-T13 PolarHBondContact O-N 2.78Å; D9-T13 PolarHBondContact O-OG1 3.22Å; T13-E17 WeakPolarHBondContact CA-OE2 3.28Å; T13-L18 HydrophobicContact CG2-CD1 4.23Å; T13-L18 HydrophobicContact CG2-CD2 3.98Å; T13-L18 HydrophobicContact CG2-CG 3.74Å; T13-L60 HydrophobicContact CG2-CD1 3.68Å
14T88.4Confident87Confident66 Ų6646.9 Ų46.941%0.40529%0.294SS..  trans-84.8155.1177.968.10000111.5E16 E17 L18T14-E16 PolarHBondContact O-N 3.39Å; T14-E17 PolarHBondContact N-OE2 2.89Å; T14-E17 PolarHBondContact O-N 2.97Å; T14-E17 VanDerWaalsContact OG1-CB 3.31Å; T14-E17 WeakPolarHBondContact OG1-CB 3.49Å; T14-E17 PolarHBondContact OG1-N 2.86Å; T14-L18 PolarHBondContact O-N 3.03Å
15P89.7Confident86.9Confident59 Ų5947.1 Ų47.138%0.38329%0.293SS..Hα-helixtrans-63-23.8171.126.3-34.9000112.5A19 C31 V33P15-A19 VanDerWaalsContact O-CB 3.28Å; P15-A19 WeakPolarHBondContact O-CB 3.27Å; P15-A19 PolarHBondContact O-N 2.69Å; P15-C31 HydrophobicContact CB-CB 4.21Å; P15-C31 PolarHBondContact O-SG 3.02Å; P15-V33 HydrophobicContact CB-CG2 3.95Å
16E89.7Confident86.9Confident153 Ų15347.9 Ų47.972%0.71530%0.301SS*.Hα-helixtrans-73.2-43.8176.6-66.2171.7-166.600111.6T14 L18 A19 A20T14-E16 PolarHBondContact O-N 3.39Å; E16-L18 PolarHBondContact O-N 3.22Å; E16-A19 PolarHBondContact O-N 3.08Å; E16-A19 VanDerWaalsContact O-N 3.14Å; E16-A20 WeakPolarHBondContact O-CB 3.45Å; E16-A20 PolarHBondContact O-N 3.15Å
17E89.5Confident87.2Confident61 Ų6151 Ų5129%0.28532%0.32SS..Hα-helixtrans-58.8-46.1174.1-178.1-177.5-174.600111.2T13 T14 A20 L21 L60T13-E17 WeakPolarHBondContact CA-OE2 3.28Å; T14-E17 PolarHBondContact N-OE2 2.89Å; T14-E17 PolarHBondContact O-N 2.97Å; T14-E17 VanDerWaalsContact OG1-CB 3.31Å; T14-E17 WeakPolarHBondContact OG1-CB 3.49Å; T14-E17 PolarHBondContact OG1-N 2.86Å; E17-A20 PolarHBondContact O-N 3.48Å; E17-L21 WeakPolarHBondContact O-CG 2.98Å; E17-L21 PolarHBondContact O-N 3.25Å; E17-L21 VanDerWaalsContact O-N 3.09Å; E17-L60 HydrophobicContact CG-CD2 4.3Å; E17-L60 WeakPolarHBondContact OE1-CD2 3.48Å
18L89.3Confident87.5Confident0 Ų049.6 Ų49.60%031%0.314CS..Hα-helixtrans-64.8-42.2172.1-68.2179.4000112.2V5 V8 T13 T14 E16 A20 L21 F22 V33 A38 L60 L66V5-L18 HydrophobicContact CG1-CD2 4.4Å; V8-L18 HydrophobicContact CG1-CD1 4.26Å; V8-L18 HydrophobicContact CG2-CD1 4.3Å; T13-L18 HydrophobicContact CG2-CD1 4.23Å; T13-L18 HydrophobicContact CG2-CD2 3.98Å; T13-L18 HydrophobicContact CG2-CG 3.74Å; T14-L18 PolarHBondContact O-N 3.03Å; E16-L18 PolarHBondContact O-N 3.22Å; L18-A20 PolarHBondContact O-N 3.34Å; L18-L21 HydrophobicContact CD2-CD1 4.04Å; L18-L21 PolarHBondContact O-N 3.44Å; L18-F22 VanDerWaalsContact O-CD2 3.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.47Å; L18-F22 PolarHBondContact O-N 3.43Å; L18-F22 VanDerWaalsContact O-N 3.08Å; L18-V33 HydrophobicContact CD1-CG2 3.67Å; L18-A38 HydrophobicContact CD1-CB 3.25Å; L18-L60 HydrophobicContact CD2-CD1 3.74Å; L18-L66 HydrophobicContact CD2-CD1 4.4Å
19A91.1Very high87.9Confident28 Ų2855.8 Ų55.823%0.23134%0.344CS..Hα-helixtrans-59.5-38176.900000111.8P15 E16 F22 A23 V28 C31P15-A19 VanDerWaalsContact O-CB 3.28Å; P15-A19 WeakPolarHBondContact O-CB 3.27Å; P15-A19 PolarHBondContact O-N 2.69Å; E16-A19 PolarHBondContact O-N 3.08Å; E16-A19 VanDerWaalsContact O-N 3.14Å; A19-F22 PolarHBondContact O-N 3.01Å; A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 3.36Å; A19-V28 HydrophobicContact CB-CG1 4.34Å; A19-C31 HydrophobicContact CB-CB 4.45Å
20A90.4Very high88.3Confident64 Ų6457.4 Ų57.453%0.52936%0.357SS..Hα-helixtrans-66.1-39.917600000113E16 E17 L18 F22 P24E16-A20 WeakPolarHBondContact O-CB 3.45Å; E16-A20 PolarHBondContact O-N 3.15Å; E17-A20 PolarHBondContact O-N 3.48Å; L18-A20 PolarHBondContact O-N 3.34Å; A20-F22 VanDerWaalsContact C-N 3.34Å; A20-F22 PolarHBondContact O-N 2.91Å; A20-P24 WeakPolarHBondContact O-CD 3.17Å
21L88.8Confident89.1Confident37 Ų3757.3 Ų57.319%0.19435%0.351CS..Hα-helixtrans-64.5-36.1174.1-69.5169.1000113.2E17 L18 P24 L55 L60E17-L21 WeakPolarHBondContact O-CG 2.98Å; E17-L21 PolarHBondContact O-N 3.25Å; E17-L21 VanDerWaalsContact O-N 3.09Å; L18-L21 HydrophobicContact CD2-CD1 4.04Å; L18-L21 PolarHBondContact O-N 3.44Å; L21-P24 WeakPolarHBondContact O-CD 3.31Å; L21-P24 WeakPolarHBondContact O-CG 3.44Å; L21-L55 HydrophobicContact CB-CD1 4.4Å; L21-L60 HydrophobicContact CD1-CD1 3.72Å; L21-L60 HydrophobicContact CD1-CD2 3.47Å; L21-L60 VanDerWaalsContact CD1-CD2 3.47Å; L21-L60 HydrophobicContact CD1-CG 3.64Å; L21-L60 HydrophobicContact CD2-CD2 4.36Å; L21-L60 HydrophobicContact CG-CD2 4.35Å
22F90Very high89.8Confident0 Ų055.2 Ų55.20%033%0.334CS..Hα-helixtrans-85.3-23.3-179.2-80.4-96.2000113.1I3 V5 L18 A19 A20 Y25 G26 V28 V40 M42 A51 L55 V68I3-F22 HydrophobicContact CD1-CD1 3.87Å; I3-F22 HydrophobicContact CD1-CE1 3.57Å; I3-F22 HydrophobicContact CG2-CE1 3.98Å; I3-F22 HydrophobicContact CG2-CZ 4.25Å; V5-F22 HydrophobicContact CG2-CE2 3.82Å; V5-F22 HydrophobicContact CG2-CZ 3.6Å; L18-F22 VanDerWaalsContact O-CD2 3.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.47Å; L18-F22 PolarHBondContact O-N 3.43Å; L18-F22 VanDerWaalsContact O-N 3.08Å; A19-F22 PolarHBondContact O-N 3.01Å; A20-F22 VanDerWaalsContact C-N 3.34Å; A20-F22 PolarHBondContact O-N 2.91Å; F22-Y25 PolarHBondContact O-N 3.43Å; F22-Y25 VanDerWaalsContact O-N 3.08Å; F22-G26 PolarHBondContact O-N 3.14Å; F22-V28 HydrophobicContact CB-CG2 3.72Å; F22-V40 HydrophobicContact CB-CG1 4.09Å; F22-V40 HydrophobicContact CD1-CB 4.44Å; F22-V40 HydrophobicContact CD1-CG1 4.08Å; F22-V40 HydrophobicContact CD2-CG1 4.44Å; F22-V40 HydrophobicContact CD2-CG2 4Å; F22-V40 HydrophobicContact CE2-CG2 4.03Å; F22-V40 HydrophobicContact CG-CB 4.46Å; F22-V40 HydrophobicContact CG-CG1 3.93Å; F22-V40 HydrophobicContact CG-CG2 4.3Å; F22-V40 HydrophobicContact CZ-CG2 4.37Å; F22-M42 HydrophobicContact CB-CE 4.44Å; F22-M42 HydrophobicContact CB-SD 4.05Å; F22-M42 HydrophobicContact CD1-SD 4.15Å; F22-M42 WeakPolarHBondContact O-CE 3.25Å; F22-A51 HydrophobicContact CD1-CB 3.63Å; F22-A51 HydrophobicContact CE1-CB 3.73Å; F22-L55 HydrophobicContact CD1-CD1 3.94Å; F22-L55 HydrophobicContact CD2-CD1 3.76Å; F22-L55 HydrophobicContact CE1-CD1 3.78Å; F22-L55 HydrophobicContact CE2-CD1 3.62Å; F22-L55 HydrophobicContact CG-CD1 3.93Å; F22-L55 HydrophobicContact CZ-CD1 3.63Å; F22-V68 HydrophobicContact CE1-CG1 4.08Å; F22-V68 HydrophobicContact CZ-CG1 3.78Å; F22-V68 HydrophobicContact CZ-CG2 4.3Å
23A90.6Very high90.2Very high56 Ų5653.5 Ų53.546%0.46333%0.326SS..G310 helixtrans-50.4-45.4177.100000115.9A19 Y25 G26A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 3.36Å; A23-Y25 PolarHBondContact O-N 3.48Å; A23-Y25 VanDerWaalsContact O-N 3.15Å; A23-G26 PolarHBondContact O-N 2.84Å
24P90.9Very high90.4Very high99 Ų9957.7 Ų57.764%0.64335%0.347SS*.G310 helixtrans-63.3-19.6178.623.3-34.7000113.9A20 L21A20-P24 WeakPolarHBondContact O-CD 3.17Å; L21-P24 WeakPolarHBondContact O-CD 3.31Å; L21-P24 WeakPolarHBondContact O-CG 3.44Å
25Y91.5Very high90.1Very high64 Ų6460 Ų6025%0.25135%0.351SS..G310 helixtrans-93.5-18179.7-58-77.3000113.3F22 A23 G47 R50 A51 A54 L55F22-Y25 PolarHBondContact O-N 3.43Å; F22-Y25 VanDerWaalsContact O-N 3.08Å; A23-Y25 PolarHBondContact O-N 3.48Å; A23-Y25 VanDerWaalsContact O-N 3.15Å; Y25-G47 WeakPolarHBondContact O-CA 3.45Å; Y25-R50 HydrophobicContact CD1-CB 4.04Å; Y25-R50 PolarHBondContact O-NH2 3.25Å; Y25-A51 HydrophobicContact CD2-CB 3.99Å; Y25-A51 HydrophobicContact CG-CB 3.8Å; Y25-A54 HydrophobicContact CE1-CB 3.56Å; Y25-A54 VanDerWaalsContact OH-CB 3.29Å; Y25-A54 WeakPolarHBondContact OH-CB 3.3Å; Y25-L55 HydrophobicContact CD2-CD1 4.1Å; Y25-L55 HydrophobicContact CD2-CG 4.44Å; Y25-L55 HydrophobicContact CE2-CD1 3.94Å; Y25-L55 HydrophobicContact CE2-CD2 3.99Å; Y25-L55 HydrophobicContact CE2-CG 3.85Å
26G90.2Very high89.8Confident16 Ų1660.9 Ų60.917%0.16535%0.35CS..SBendtrans160.6178.5173.900000113.9F22 A23 V28 M42F22-G26 PolarHBondContact O-N 3.14Å; A23-G26 PolarHBondContact O-N 2.84Å; G26-V28 PolarHBondContact O-N 3.28Å; G26-M42 WeakPolarHBondContact O-CE 3.36Å
27T92.9Very high89.7Confident69 Ų6954.7 Ų54.742%0.42332%0.321SS..  trans-69.1116-178-42.90000112.5R43T27-R43 PolarHBondContact O-N 2.95Å
28V93.1Very high89.8Confident37 Ų3751.8 Ų51.822%0.22431%0.307CS..EExtended strand (participates in β ladder)trans-74.9120.2168.9-179.40000109.4A19 F22 G26 C31 V40 M42A19-V28 HydrophobicContact CB-CG1 4.34Å; F22-V28 HydrophobicContact CB-CG2 3.72Å; G26-V28 PolarHBondContact O-N 3.28Å; V28-C31 HydrophobicContact CG1-CB 4.41Å; V28-V40 HydrophobicContact CG1-CG1 3.93Å; V28-V40 HydrophobicContact CG2-CG1 4.12Å; V28-M42 HydrophobicContact CG2-SD 3.8Å
29M92.4Very high89.9Confident130 Ų13053.3 Ų53.364%0.6431%0.314SS*.EExtended strand (participates in β ladder)trans-87-33.6174.5-65.4-174.171.500112.8H41 R43M29-H41 HydrophobicContact CB-CB 4.37Å; M29-H41 PolarHBondContact N-O 3.47Å; M29-R43 HydrophobicContact CG-CB 3.95Å; M29-R43 HydrophobicContact SD-CB 4.02Å; M29-R43 HydrophobicContact SD-CG 4.46Å
30S91.3Very high90Very high60 Ų6052 Ų5242%0.4230%0.303SS..EExtended strand (participates in β ladder)trans-162.2130.4-179.7176.40000110.2H41S30-H41 PolarHBondContact N-O 2.99Å; S30-H41 PolarHBondContact O-N 2.92Å
31C91.7Very high90.2Very high29 Ų2952.3 Ų52.320%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-114.3135.5168.6-172.30000109.5P15 A19 V28 F39P15-C31 HydrophobicContact CB-CB 4.21Å; P15-C31 PolarHBondContact O-SG 3.02Å; A19-C31 HydrophobicContact CB-CB 4.45Å; V28-C31 HydrophobicContact CG1-CB 4.41Å; C31-F39 WeakPolarHBondContact CA-O 3.45Å
32A91.1Very high90.4Very high48 Ų4850.6 Ų50.640%0.39728%0.284SS..EExtended strand (participates in β ladder)trans-134.6108.1175.800000110A38 F39A32-A38 CarbonylContact O-C 3.52Å; A32-A38 VanDerWaalsContact O-CA 3.25Å; A32-A38 WeakPolarHBondContact O-CA 3.24Å; A32-F39 PolarHBondContact N-O 3.38Å; A32-F39 PolarHBondContact O-N 3.08Å
33V90Very high90.6Very high40 Ų4058.3 Ų58.324%0.24231%0.313CS..EExtended strand (participates in β ladder)trans-82.3142.2173.6177.80000110.3V8 P15 L18 A38V8-V33 HydrophobicContact CG1-CG1 4.35Å; P15-V33 HydrophobicContact CB-CG2 3.95Å; L18-V33 HydrophobicContact CD1-CG2 3.67Å; V33-A38 HydrophobicContact CB-CB 4.43Å; V33-A38 HydrophobicContact CG2-CB 3.97Å
34M85.1Confident90.7Very high96 Ų9660 Ų6047%0.47331%0.312SS..EExtended strand (participates in β ladder)trans-134.3169.8172.9-153.9168.4-64.700109Q36 F37M34-Q36 VanDerWaalsContact C-N 3.29Å; M34-Q36 PolarHBondContact O-N 3.49Å; M34-F37 CarbonylContact C-O 3.56Å; M34-F37 VanDerWaalsContact CA-O 3.27Å; M34-F37 WeakPolarHBondContact CA-O 3.49Å; M34-F37 HydrophobicContact CB-CD2 3.98Å; M34-F37 HydrophobicContact CB-CE2 3.65Å; M34-F37 HydrophobicContact CB-CZ 4.01Å; M34-F37 VanDerWaalsContact CB-O 3.3Å; M34-F37 WeakPolarHBondContact CB-O 3.31Å; M34-F37 HydrophobicContact CE-CE2 4.25Å; M34-F37 HydrophobicContact CG-CE2 4.07Å; M34-F37 HydrophobicContact CG-CZ 3.99Å; M34-F37 PolarHBondContact N-O 3.23Å; M34-F37 PolarHBondContact O-N 3.32Å; M34-F37 HydrophobicContact SD-CE1 4.44Å; M34-F37 HydrophobicContact SD-CE2 3.59Å; M34-F37 VanDerWaalsContact SD-CE2 3.59Å; M34-F37 HydrophobicContact SD-CZ 3.39Å; M34-F37 WeakPolarHBondContact SD-CZ 3.48Å
35K82.6Confident90.8Very high114 Ų11460 Ų6050%0.49631%0.306SS..THydrogen-bonded Turntrans-32.9-51.9-170.7-69.5178.9171.81790116.5G10 D109G10-K35 WeakPolarHBondContact CA-O 3.38Å; G10-K35 PolarHBondContact N-O 2.84Å; K35-D109 IonicContact NZ-OD1 3.26Å; K35-D109 PolarHBondContact NZ-OD1 3.02Å; K35-D109 IonicContact NZ-OD2 3.8Å; K35-D109 PolarHBondContact NZ-OD2 3.39Å
36Q83.4Confident90.8Very high77 Ų7759.9 Ų59.936%0.3632%0.319SS..THydrogen-bonded Turntrans-134.412.9-174.2-66.5-68.6-82.500113N7 V8 M34N7-Q36 PolarHBondContact N-O 3.09Å; N7-Q36 VanDerWaalsContact N-O 3.13Å; V8-Q36 PolarHBondContact N-O 3.33Å; V8-Q36 CarbonylContact O-C 3.45Å; V8-Q36 WeakPolarHBondContact O-CA 3.35Å; M34-Q36 VanDerWaalsContact C-N 3.29Å; M34-Q36 PolarHBondContact O-N 3.49Å
37F88.4Confident90.9Very high24 Ų2459.1 Ų59.111%0.10531%0.311CS..EExtended strand (participates in β ladder)trans-162.4157.4-177.559.4-97.6000111.1F4 V5 M34 F39F4-F37 HydrophobicContact CD2-CB 4.38Å; F4-F37 HydrophobicContact CD2-CD2 4.46Å; F4-F37 HydrophobicContact CE2-CB 3.51Å; F4-F37 HydrophobicContact CE2-CD1 4.39Å; F4-F37 AromaticContact CE2-CD2 3.88Å; F4-F37 HydrophobicContact CE2-CD2 3.88Å; F4-F37 AromaticContact CE2-CG 3.68Å; F4-F37 HydrophobicContact CE2-CG 3.68Å; F4-F37 HydrophobicContact CZ-CB 3.81Å; F4-F37 HydrophobicContact CZ-CG 4.29Å; V5-F37 CarbonylContact O-C 3.41Å; V5-F37 WeakPolarHBondContact O-CA 3.41Å; V5-F37 WeakPolarHBondContact O-CB 3.43Å; M34-F37 CarbonylContact C-O 3.56Å; M34-F37 VanDerWaalsContact CA-O 3.27Å; M34-F37 WeakPolarHBondContact CA-O 3.49Å; M34-F37 HydrophobicContact CB-CD2 3.98Å; M34-F37 HydrophobicContact CB-CE2 3.65Å; M34-F37 HydrophobicContact CB-CZ 4.01Å; M34-F37 VanDerWaalsContact CB-O 3.3Å; M34-F37 WeakPolarHBondContact CB-O 3.31Å; M34-F37 HydrophobicContact CE-CE2 4.25Å; M34-F37 HydrophobicContact CG-CE2 4.07Å; M34-F37 HydrophobicContact CG-CZ 3.99Å; M34-F37 PolarHBondContact N-O 3.23Å; M34-F37 PolarHBondContact O-N 3.32Å; M34-F37 HydrophobicContact SD-CE1 4.44Å; M34-F37 HydrophobicContact SD-CE2 3.59Å; M34-F37 VanDerWaalsContact SD-CE2 3.59Å; M34-F37 HydrophobicContact SD-CZ 3.39Å; M34-F37 WeakPolarHBondContact SD-CZ 3.48Å; F37-F39 HydrophobicContact CD2-CD2 4.46Å; F37-F39 HydrophobicContact CD2-CE2 4.04Å; F37-F39 HydrophobicContact CD2-CZ 4.42Å; F37-F39 HydrophobicContact CE2-CD2 4.36Å; F37-F39 AromaticContact CE2-CE2 3.69Å; F37-F39 HydrophobicContact CE2-CE2 3.69Å; F37-F39 HydrophobicContact CE2-CZ 4.25Å
38A90.8Very high90.9Very high0 Ų055.9 Ų55.90%029%0.291CS..EExtended strand (participates in β ladder)trans-127.2164.1172.700000111.9V5 V8 L18 A32 V33V5-A38 HydrophobicContact CB-CB 4.28Å; V5-A38 PolarHBondContact N-O 2.93Å; V5-A38 PolarHBondContact O-N 2.78Å; V8-A38 HydrophobicContact CG2-CB 4.36Å; L18-A38 HydrophobicContact CD1-CB 3.25Å; A32-A38 CarbonylContact O-C 3.52Å; A32-A38 VanDerWaalsContact O-CA 3.25Å; A32-A38 WeakPolarHBondContact O-CA 3.24Å; V33-A38 HydrophobicContact CB-CB 4.43Å; V33-A38 HydrophobicContact CG2-CB 3.97Å
39F92.4Very high90.9Very high32 Ų3257 Ų5714%0.1430%0.296CS..EExtended strand (participates in β ladder)trans-121.3125.1169.7-68.8-69.3000110.3K2 I3 F4 C31 A32 F37 S71K2-F39 HydrophobicContact CD-CD1 4.41Å; K2-F39 VanDerWaalsContact CE-CG 3.45Å; I3-F39 WeakPolarHBondContact O-CA 3.27Å; F4-F39 HydrophobicContact CB-CD1 4.29Å; F4-F39 HydrophobicContact CB-CE1 4.13Å; F4-F39 HydrophobicContact CD2-CD1 4.18Å; F4-F39 AromaticContact CD2-CE1 3.61Å; F4-F39 HydrophobicContact CD2-CE1 3.61Å; F4-F39 HydrophobicContact CD2-CZ 4.04Å; F4-F39 HydrophobicContact CG-CE1 4.36Å; C31-F39 WeakPolarHBondContact CA-O 3.45Å; A32-F39 PolarHBondContact N-O 3.38Å; A32-F39 PolarHBondContact O-N 3.08Å; F37-F39 HydrophobicContact CD2-CD2 4.46Å; F37-F39 HydrophobicContact CD2-CE2 4.04Å; F37-F39 HydrophobicContact CD2-CZ 4.42Å; F37-F39 HydrophobicContact CE2-CD2 4.36Å; F37-F39 AromaticContact CE2-CE2 3.69Å; F37-F39 HydrophobicContact CE2-CE2 3.69Å; F37-F39 HydrophobicContact CE2-CZ 4.25Å; F39-S71 WeakPolarHBondContact CE1-OG 3.33Å
40V93.1Very high90.9Very high0 Ų057.4 Ų57.40%029%0.29CS..EExtended strand (participates in β ladder)trans-112.7122.1176.8-174.70000108.7I3 V5 F22 V28 M42I3-V40 HydrophobicContact CB-CB 4.36Å; I3-V40 WeakPolarHBondContact CB-O 3.46Å; I3-V40 PolarHBondContact N-O 3.27Å; I3-V40 PolarHBondContact O-N 3.33Å; V5-V40 HydrophobicContact CG2-CG2 3.99Å; F22-V40 HydrophobicContact CB-CG1 4.09Å; F22-V40 HydrophobicContact CD1-CB 4.44Å; F22-V40 HydrophobicContact CD1-CG1 4.08Å; F22-V40 HydrophobicContact CD2-CG1 4.44Å; F22-V40 HydrophobicContact CD2-CG2 4Å; F22-V40 HydrophobicContact CE2-CG2 4.03Å; F22-V40 HydrophobicContact CG-CB 4.46Å; F22-V40 HydrophobicContact CG-CG1 3.93Å; F22-V40 HydrophobicContact CG-CG2 4.3Å; F22-V40 HydrophobicContact CZ-CG2 4.37Å; V28-V40 HydrophobicContact CG1-CG1 3.93Å; V28-V40 HydrophobicContact CG2-CG1 4.12Å; V40-M42 HydrophobicContact CG1-SD 3.92Å
41H93.6Very high91Very high70 Ų7054.6 Ų54.632%0.32427%0.27SS..EExtended strand (participates in β ladder)trans-95111.4170.3-68.784.3000108.9M1 K2 M29 S30M1-H41 CarbonylContact O-C 3.57Å; M1-H41 WeakPolarHBondContact O-CA 3.27Å; K2-H41 WeakPolarHBondContact CD-NE2 3.31Å; K2-H41 WeakPolarHBondContact CG-NE2 3.29Å; M29-H41 HydrophobicContact CB-CB 4.37Å; M29-H41 PolarHBondContact N-O 3.47Å; S30-H41 PolarHBondContact N-O 2.99Å; S30-H41 PolarHBondContact O-N 2.92Å
42M93.1Very high91Very high2 Ų254.3 Ų54.31%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-86.9144.5169.6-58.4-61.2-83.300109.6M1 I3 F22 G26 V28 V40 A48M1-M42 PolarHBondContact N-O 3.4Å; M1-M42 PolarHBondContact O-N 3.22Å; I3-M42 HydrophobicContact CD1-CG 3.53Å; I3-M42 HydrophobicContact CG1-CG 4.3Å; F22-M42 HydrophobicContact CB-CE 4.44Å; F22-M42 HydrophobicContact CB-SD 4.05Å; F22-M42 HydrophobicContact CD1-SD 4.15Å; F22-M42 WeakPolarHBondContact O-CE 3.25Å; G26-M42 WeakPolarHBondContact O-CE 3.36Å; V28-M42 HydrophobicContact CG2-SD 3.8Å; V40-M42 HydrophobicContact CG1-SD 3.92Å; M42-A48 HydrophobicContact CB-CB 3.92Å; M42-A48 HydrophobicContact CG-CB 3.83Å
43R94.1Very high91Very high162 Ų16259.3 Ų59.361%0.61128%0.282SS*.SBendtrans-60.9-51.5168.3178.6177.3-77-170.8-3.8110.3T27 M29T27-R43 PolarHBondContact O-N 2.95Å; M29-R43 HydrophobicContact CG-CB 3.95Å; M29-R43 HydrophobicContact SD-CB 4.02Å; M29-R43 HydrophobicContact SD-CG 4.46Å
44E92.7Very high91Very high91 Ų9159.8 Ų59.843%0.42529%0.289SS..  trans-90.9147.8-173.1-65.5173.5-168.800112.7A48E44-A48 WeakPolarHBondContact O-CB 3.35Å; E44-A48 PolarHBondContact O-N 3.08Å
45N92.5Very high91.2Very high98 Ų9855.4 Ų55.452%0.52427%0.268SS..Hα-helixtrans-80.1-48.6172.7-170.3-43.9000110.9M1 G47 A48 L49M1-N45 HydrophobicContact SD-CB 4.41Å; N45-G47 VanDerWaalsContact C-N 3.33Å; N45-G47 PolarHBondContact O-N 2.97Å; N45-A48 WeakPolarHBondContact O-CA 3.45Å; N45-A48 WeakPolarHBondContact O-CB 3.24Å; N45-A48 PolarHBondContact O-N 3.39Å; N45-L49 PolarHBondContact O-N 3.35Å
46A92.9Very high91.5Very high63 Ų6354.9 Ų54.952%0.52127%0.267SS..Hα-helixtrans-58.8-41.3177.200000113L49 R50A46-L49 PolarHBondContact O-N 2.78Å; A46-R50 PolarHBondContact O-N 2.99Å
47G91.9Very high91.6Very high0 Ų053.1 Ų53.10%027%0.27CS..Hα-helixtrans-61.8-41.6172.200000113.3Y25 N45 R50 A51Y25-G47 WeakPolarHBondContact O-CA 3.45Å; N45-G47 VanDerWaalsContact C-N 3.33Å; N45-G47 PolarHBondContact O-N 2.97Å; G47-R50 PolarHBondContact O-N 2.98Å; G47-A51 WeakPolarHBondContact O-CB 3.32Å; G47-A51 PolarHBondContact O-N 3.02Å
48A92.5Very high91.4Very high0 Ų055.6 Ų55.60%028%0.282CS..Hα-helixtrans-64.6-38.417700000113.6M1 I3 M42 E44 N45 A51 I52M1-A48 HydrophobicContact CB-CB 3.86Å; M1-A48 HydrophobicContact CE-CB 4.3Å; M1-A48 HydrophobicContact CG-CB 3.86Å; M1-A48 HydrophobicContact SD-CB 3.53Å; M1-A48 VanDerWaalsContact SD-CB 3.53Å; I3-A48 HydrophobicContact CD1-CB 3.75Å; I3-A48 HydrophobicContact CG1-CB 4.12Å; M42-A48 HydrophobicContact CB-CB 3.92Å; M42-A48 HydrophobicContact CG-CB 3.83Å; E44-A48 WeakPolarHBondContact O-CB 3.35Å; E44-A48 PolarHBondContact O-N 3.08Å; N45-A48 WeakPolarHBondContact O-CA 3.45Å; N45-A48 WeakPolarHBondContact O-CB 3.24Å; N45-A48 PolarHBondContact O-N 3.39Å; A48-A51 PolarHBondContact O-N 3.34Å; A48-I52 WeakPolarHBondContact O-CD1 3.39Å; A48-I52 VanDerWaalsContact O-CG1 3.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.12Å; A48-I52 PolarHBondContact O-N 2.87Å
49L92.8Very high90.9Very high62 Ų6260.5 Ų60.533%0.32530%0.304SS..Hα-helixtrans-62.3-49.7176.1-72.7170.1000111.6M1 N45 A46 A51 I52 E53 M70M1-L49 HydrophobicContact CE-CD2 4.43Å; N45-L49 PolarHBondContact O-N 3.35Å; A46-L49 PolarHBondContact O-N 2.78Å; L49-A51 VanDerWaalsContact C-N 3.28Å; L49-A51 PolarHBondContact O-N 2.73Å; L49-I52 WeakPolarHBondContact O-CB 3.44Å; L49-I52 PolarHBondContact O-N 2.78Å; L49-I52 VanDerWaalsContact O-N 3.08Å; L49-E53 PolarHBondContact O-N 3.5Å; L49-M70 HydrophobicContact CD2-CE 3.41Å; L49-M70 VanDerWaalsContact CD2-CE 3.41Å
50R93.5Very high90.1Very high138 Ų13860.7 Ų60.752%0.52131%0.307SS..Hα-helixtrans-60.4-38.3176-65.2-177.1-60.5-178.54.5112.1Y25 A46 G47 E53 A54Y25-R50 HydrophobicContact CD1-CB 4.04Å; Y25-R50 PolarHBondContact O-NH2 3.25Å; A46-R50 PolarHBondContact O-N 2.99Å; G47-R50 PolarHBondContact O-N 2.98Å; R50-E53 PolarHBondContact O-N 2.82Å; R50-A54 VanDerWaalsContact O-CB 3.27Å; R50-A54 WeakPolarHBondContact O-CB 3.19Å; R50-A54 PolarHBondContact O-N 2.85Å
51A92.4Very high89.2Confident0 Ų065 Ų650%032%0.323CS..Hα-helixtrans-64.3-39.6174.600000112.4I3 F22 Y25 G47 A48 L49 L55I3-A51 HydrophobicContact CD1-CB 4.29Å; F22-A51 HydrophobicContact CD1-CB 3.63Å; F22-A51 HydrophobicContact CE1-CB 3.73Å; Y25-A51 HydrophobicContact CD2-CB 3.99Å; Y25-A51 HydrophobicContact CG-CB 3.8Å; G47-A51 WeakPolarHBondContact O-CB 3.32Å; G47-A51 PolarHBondContact O-N 3.02Å; A48-A51 PolarHBondContact O-N 3.34Å; L49-A51 VanDerWaalsContact C-N 3.28Å; L49-A51 PolarHBondContact O-N 2.73Å; A51-L55 HydrophobicContact CB-CD1 4.41Å; A51-L55 WeakPolarHBondContact O-CB 3.27Å; A51-L55 WeakPolarHBondContact O-CG 3.36Å; A51-L55 PolarHBondContact O-N 3.07Å
52I92.5Very high88.2Confident23 Ų2367.8 Ų67.812%0.11835%0.347CS..Hα-helixtrans-63.1-50.4175.5-70.7158.3000110.2M1 I3 A48 L49 A54 H56 V68 M70M1-I52 HydrophobicContact CE-CD1 3.77Å; I3-I52 HydrophobicContact CD1-CG1 4.38Å; I3-I52 HydrophobicContact CG1-CD1 4.41Å; I3-I52 HydrophobicContact CG1-CG1 4.47Å; I3-I52 HydrophobicContact CG2-CG1 4.07Å; A48-I52 WeakPolarHBondContact O-CD1 3.39Å; A48-I52 VanDerWaalsContact O-CG1 3.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.12Å; A48-I52 PolarHBondContact O-N 2.87Å; L49-I52 WeakPolarHBondContact O-CB 3.44Å; L49-I52 PolarHBondContact O-N 2.78Å; L49-I52 VanDerWaalsContact O-N 3.08Å; I52-A54 PolarHBondContact O-N 3.27Å; I52-H56 WeakPolarHBondContact O-CB 3.38Å; I52-H56 PolarHBondContact O-N 3.1Å; I52-H56 VanDerWaalsContact O-N 3.1Å; I52-V68 HydrophobicContact CB-CG1 4.33Å; I52-V68 HydrophobicContact CG1-CG1 3.93Å; I52-M70 HydrophobicContact CD1-CG 3.78Å
53E91.4Very high87.2Confident154 Ų15470.7 Ų70.772%0.7238%0.378SS*.Hα-helixtrans-65.1-37.4-177.6-69.7173.7176.900113.1L49 R50L49-E53 PolarHBondContact O-N 3.5Å; R50-E53 PolarHBondContact O-N 2.82Å
54A90.3Very high86.4Confident49 Ų4966.8 Ų66.841%0.40536%0.363SS..Hα-helixtrans-88.6-27.9-175.900000114.8Y25 R50 I52Y25-A54 HydrophobicContact CE1-CB 3.56Å; Y25-A54 VanDerWaalsContact OH-CB 3.29Å; Y25-A54 WeakPolarHBondContact OH-CB 3.3Å; R50-A54 VanDerWaalsContact O-CB 3.27Å; R50-A54 WeakPolarHBondContact O-CB 3.19Å; R50-A54 PolarHBondContact O-N 2.85Å; I52-A54 PolarHBondContact O-N 3.27Å
55L89Confident86Confident4 Ų464.1 Ų64.12%0.02136%0.356CS..Hα-helixtrans-99.3-10.3-179.2-59.7172.6000113.2L21 F22 Y25 A51 G57 H58 V68L21-L55 HydrophobicContact CB-CD1 4.4Å; F22-L55 HydrophobicContact CD1-CD1 3.94Å; F22-L55 HydrophobicContact CD2-CD1 3.76Å; F22-L55 HydrophobicContact CE1-CD1 3.78Å; F22-L55 HydrophobicContact CE2-CD1 3.62Å; F22-L55 HydrophobicContact CG-CD1 3.93Å; F22-L55 HydrophobicContact CZ-CD1 3.63Å; Y25-L55 HydrophobicContact CD2-CD1 4.1Å; Y25-L55 HydrophobicContact CD2-CG 4.44Å; Y25-L55 HydrophobicContact CE2-CD1 3.94Å; Y25-L55 HydrophobicContact CE2-CD2 3.99Å; Y25-L55 HydrophobicContact CE2-CG 3.85Å; A51-L55 HydrophobicContact CB-CD1 4.41Å; A51-L55 WeakPolarHBondContact O-CB 3.27Å; A51-L55 WeakPolarHBondContact O-CG 3.36Å; A51-L55 PolarHBondContact O-N 3.07Å; L55-G57 PolarHBondContact O-N 2.88Å; L55-H58 HydrophobicContact CD2-CB 4.46Å; L55-H58 VanDerWaalsContact O-CB 3.24Å; L55-H58 WeakPolarHBondContact O-CB 3.44Å; L55-H58 PolarHBondContact O-N 3.33Å; L55-H58 VanDerWaalsContact O-N 3.1Å; L55-V68 HydrophobicContact CB-CG2 3.81Å; L55-V68 WeakPolarHBondContact O-CG2 2.93Å
56H89Confident85.8Confident103 Ų10359.6 Ų59.648%0.47733%0.332SS..THydrogen-bonded Turntrans-67.6122.4171.1-171.1102.8000110.2I52 H58 V68I52-H56 WeakPolarHBondContact O-CB 3.38Å; I52-H56 PolarHBondContact O-N 3.1Å; I52-H56 VanDerWaalsContact O-N 3.1Å; H56-H58 VanDerWaalsContact C-N 3.33Å; H56-V68 HydrophobicContact CB-CB 4.27Å; H56-V68 PolarHBondContact ND1-O 3.02Å
57G85.2Confident85.6Confident41 Ų4159.1 Ų59.142%0.42332%0.323SS..THydrogen-bonded Turntrans87.6-6.5-172.500000114.5L55 E59 L66L55-G57 PolarHBondContact O-N 2.88Å; G57-E59 PolarHBondContact O-N 2.88Å; G57-L66 PolarHBondContact N-O 3.12Å
58H83.4Confident85.6Confident76 Ų7659.2 Ų59.235%0.35232%0.323SS..  trans-67122.6-179.6-174-72.9000111.1L55 H56 L60 L66L55-H58 HydrophobicContact CD2-CB 4.46Å; L55-H58 VanDerWaalsContact O-CB 3.24Å; L55-H58 WeakPolarHBondContact O-CB 3.44Å; L55-H58 PolarHBondContact O-N 3.33Å; L55-H58 VanDerWaalsContact O-N 3.1Å; H56-H58 VanDerWaalsContact C-N 3.33Å; H58-L60 PolarHBondContact O-N 2.84Å; H58-L66 WeakPolarHBondContact O-CB 3.36Å; H58-L66 WeakPolarHBondContact O-CG 3.13Å; H58-L66 PolarHBondContact O-N 3.27Å
59E81.6Confident85.5Confident102 Ų10262.3 Ų62.348%0.47734%0.338SS..EExtended strand (participates in β ladder)trans-82.8103.3176.5-58.5-144.3133.400110.5G57 R61 G63 A65G57-E59 PolarHBondContact O-N 2.88Å; E59-R61 VanDerWaalsContact C-N 3.27Å; E59-G63 WeakPolarHBondContact OE1-CA 3.1Å; E59-G63 PolarHBondContact OE1-N 3.45Å; E59-G63 PolarHBondContact OE2-N 2.91Å; E59-A65 HydrophobicContact CG-CB 4.17Å
60L74.1Confident85.5Confident36 Ų3664.2 Ų64.219%0.18835%0.346CS..EExtended strand (participates in β ladder)trans-68.1-32.6169.9-105-175.2000112.1T13 E17 L18 L21 H58 L66T13-L60 HydrophobicContact CG2-CD1 3.68Å; E17-L60 HydrophobicContact CG-CD2 4.3Å; E17-L60 WeakPolarHBondContact OE1-CD2 3.48Å; L18-L60 HydrophobicContact CD2-CD1 3.74Å; L21-L60 HydrophobicContact CD1-CD1 3.72Å; L21-L60 HydrophobicContact CD1-CD2 3.47Å; L21-L60 VanDerWaalsContact CD1-CD2 3.47Å; L21-L60 HydrophobicContact CD1-CG 3.64Å; L21-L60 HydrophobicContact CD2-CD2 4.36Å; L21-L60 HydrophobicContact CG-CD2 4.35Å; H58-L60 PolarHBondContact O-N 2.84Å; L60-L66 HydrophobicContact CB-CD1 4.49Å; L60-L66 HydrophobicContact CB-CG 4.49Å; L60-L66 HydrophobicContact CD1-CD1 3.93Å; L60-L66 HydrophobicContact CD1-CD2 4.39Å; L60-L66 HydrophobicContact CG-CD1 3.96Å; L60-L66 HydrophobicContact CG-CG 4.48Å
61R74.1Confident85.1Confident90 Ų9058.8 Ų58.834%0.3433%0.33SS..EExtended strand (participates in β ladder)trans-136.6144.5175.5-66-169174.6-150.87.7108.1D12 E59 G63 R64D12-R61 PolarHBondContact O-NH2 3.45Å; D12-R61 IonicContact OD1-CZ 2.89Å; D12-R61 IonicContact OD1-NH1 3.63Å; D12-R61 PolarHBondContact OD1-NH1 3.09Å; D12-R61 IonicContact OD1-NH2 2.71Å; D12-R61 PolarHBondContact OD1-NH2 3.47Å; D12-R61 IonicContact OD2-CZ 3.19Å; D12-R61 IonicContact OD2-NH1 3.53Å; D12-R61 PolarHBondContact OD2-NH1 2.75Å; D12-R61 IonicContact OD2-NH2 3.38Å; E59-R61 VanDerWaalsContact C-N 3.27Å; R61-G63 PolarHBondContact O-N 3.48Å; R61-R64 PolarHBondContact O-N 3.1Å
62P73.8Confident84.7Confident129 Ų12966.7 Ų66.784%0.83836%0.359SS*.THydrogen-bonded Turntrans-54.9124.7-175.220.7-32.8000111.1
63G71.5Confident84Confident63 Ų6371.2 Ų71.265%0.64939%0.39SS*.THydrogen-bonded Turntrans81.59.4-177.400000115.7E59 R61E59-G63 WeakPolarHBondContact OE1-CA 3.1Å; E59-G63 PolarHBondContact OE1-N 3.45Å; E59-G63 PolarHBondContact OE2-N 2.91Å; R61-G63 PolarHBondContact O-N 3.48Å
64R77.1Confident83.1Confident81 Ų8169.4 Ų69.431%0.30638%0.377SS..EExtended strand (participates in β ladder)trans-12878.1169.4-76.7-163.5177.3133.9-23.4112D9 R61 L66D9-R64 IonicContact OD2-CZ 2.62Å; D9-R64 IonicContact OD2-NH1 3.61Å; D9-R64 PolarHBondContact OD2-NH1 3.21Å; D9-R64 IonicContact OD2-NH2 2.73Å; D9-R64 PolarHBondContact OD2-NH2 3.27Å; R61-R64 PolarHBondContact O-N 3.1Å; R64-L66 PolarHBondContact O-N 3.09Å
65A85.5Confident82.3Confident34 Ų3469.8 Ų69.828%0.28138%0.375SS..EExtended strand (participates in β ladder)trans-57.6125.2163.200000111.7N7 E59N7-A65 WeakPolarHBondContact CB-O 3.36Å; N7-A65 PolarHBondContact ND2-O 3.04Å; E59-A65 HydrophobicContact CG-CB 4.17Å
66L88.2Confident81.3Confident3 Ų377.9 Ų77.92%0.01642%0.418CS..  trans-71.7138.9177.2-67.8-176.7000111.8V5 V8 L18 G57 H58 L60 R64 V68V5-L66 HydrophobicContact CG1-CB 4.4Å; V5-L66 HydrophobicContact CG1-CD1 4.04Å; V5-L66 HydrophobicContact CG1-CD2 4.12Å; V5-L66 HydrophobicContact CG1-CG 4.43Å; V8-L66 HydrophobicContact CG2-CD2 3.71Å; L18-L66 HydrophobicContact CD2-CD1 4.4Å; G57-L66 PolarHBondContact N-O 3.12Å; H58-L66 WeakPolarHBondContact O-CB 3.36Å; H58-L66 WeakPolarHBondContact O-CG 3.13Å; H58-L66 PolarHBondContact O-N 3.27Å; L60-L66 HydrophobicContact CB-CD1 4.49Å; L60-L66 HydrophobicContact CB-CG 4.49Å; L60-L66 HydrophobicContact CD1-CD1 3.93Å; L60-L66 HydrophobicContact CD1-CD2 4.39Å; L60-L66 HydrophobicContact CG-CD1 3.96Å; L60-L66 HydrophobicContact CG-CG 4.48Å; R64-L66 PolarHBondContact O-N 3.09Å; L66-V68 HydrophobicContact CB-CG2 4.15Å
67V88.4Confident80.8Confident54 Ų5479 Ų7933%0.32743%0.427SS..EExtended strand (participates in β ladder)trans-100.889.5174.6-178.40000108.8V5 G6 N7V5-V67 CarbonylContact C-O 3.34Å; G6-V67 PolarHBondContact N-O 2.78Å; G6-V67 PolarHBondContact O-N 3.23Å; N7-V67 HydrophobicContact CB-CG2 4.32Å
68V91.8Very high80.7Confident1 Ų179 Ų791%0.00642%0.419CS..EExtended strand (participates in β ladder)trans-90.5124.5-179.7-168.60000109.7I3 F4 V5 F22 I52 L55 H56 L66I3-V68 HydrophobicContact CG2-CG1 3.49Å; I3-V68 VanDerWaalsContact CG2-CG1 3.49Å; F4-V68 WeakPolarHBondContact O-CA 3.42Å; V5-V68 HydrophobicContact CG1-CG2 4.23Å; F22-V68 HydrophobicContact CE1-CG1 4.08Å; F22-V68 HydrophobicContact CZ-CG1 3.78Å; F22-V68 HydrophobicContact CZ-CG2 4.3Å; I52-V68 HydrophobicContact CB-CG1 4.33Å; I52-V68 HydrophobicContact CG1-CG1 3.93Å; L55-V68 HydrophobicContact CB-CG2 3.81Å; L55-V68 WeakPolarHBondContact O-CG2 2.93Å; H56-V68 HydrophobicContact CB-CB 4.27Å; H56-V68 PolarHBondContact ND1-O 3.02Å; L66-V68 HydrophobicContact CB-CG2 4.15Å
69E91Very high80.9Confident66 Ų6678 Ų7831%0.30841%0.412SS..EExtended strand (participates in β ladder)trans-142.1163.1179.5-78.5-163.3-15100111.5I3 F4 S71 R72I3-E69 WeakPolarHBondContact CA-O 3.35Å; I3-E69 VanDerWaalsContact CG2-O 3.31Å; I3-E69 WeakPolarHBondContact CG2-O 3.43Å; F4-E69 PolarHBondContact N-O 2.92Å; F4-E69 PolarHBondContact O-N 3.39Å; E69-S71 PolarHBondContact O-N 2.94Å; E69-R72 IonicContact OE2-CZ 2.74Å; E69-R72 IonicContact OE2-NE 2.67Å; E69-R72 PolarHBondContact OE2-NE 2.93Å; E69-R72 IonicContact OE2-NH2 2.64Å; E69-R72 PolarHBondContact OE2-NH2 3.26Å
70M90.9Very high81.3Confident102 Ų10275.5 Ų75.550%0.50240%0.399SS..EExtended strand (participates in β ladder)trans-57.1129.9162.6-54.5-165.1-175.500109.8M1 L49 I52 R72M1-M70 HydrophobicContact CE-CB 4.13Å; M1-M70 HydrophobicContact CE-CE 4.11Å; M1-M70 HydrophobicContact CE-CG 3.53Å; M1-M70 HydrophobicContact CE-SD 3.77Å; L49-M70 HydrophobicContact CD2-CE 3.41Å; L49-M70 VanDerWaalsContact CD2-CE 3.41Å; I52-M70 HydrophobicContact CD1-CG 3.78Å; M70-R72 PolarHBondContact O-N 3.43Å
71S86.7Confident82.2Confident24 Ų2473.8 Ų73.817%0.16839%0.39CS..  trans-68.398.7179.7171.50000110.8K2 F39 E69K2-S71 VanDerWaalsContact CD-OG 3.31Å; K2-S71 WeakPolarHBondContact CD-OG 3.33Å; K2-S71 WeakPolarHBondContact CE-OG 3.42Å; K2-S71 VanDerWaalsContact CG-CB 3.49Å; K2-S71 VanDerWaalsContact O-CB 3.24Å; K2-S71 WeakPolarHBondContact O-CB 3.43Å; K2-S71 PolarHBondContact O-N 3.42Å; F39-S71 WeakPolarHBondContact CE1-OG 3.33Å; E69-S71 PolarHBondContact O-N 2.94Å
72R83.8Confident83.1Confident165 Ų16572.2 Ų72.262%0.62339%0.386SS*.PPolyproline II helixtrans-68135.4170.3-53.6-176.6-154.8-161.16.7109E69 M70 R74E69-R72 IonicContact OE2-CZ 2.74Å; E69-R72 IonicContact OE2-NE 2.67Å; E69-R72 PolarHBondContact OE2-NE 2.93Å; E69-R72 IonicContact OE2-NH2 2.64Å; E69-R72 PolarHBondContact OE2-NH2 3.26Å; M70-R72 PolarHBondContact O-N 3.43Å; R72-R74 PolarHBondContact O-N 3.32Å
73P77Confident84Confident118 Ų11866.1 Ų66.177%0.76635%0.346SS*.PPolyproline II helixtrans-59.6141.3169.127-33.3000108.5
74R71.9Confident85Confident116 Ų11663.4 Ų63.444%0.43832%0.319SS..PPolyproline II helixtrans-57.9129.9172.5-72.4174.8174.9-105.94.3107.7R72 L76 E107R72-R74 PolarHBondContact O-N 3.32Å; R74-L76 PolarHBondContact O-N 2.79Å; R74-E107 IonicContact CZ-OE1 3.14Å; R74-E107 IonicContact CZ-OE2 3.48Å; R74-E107 VanDerWaalsContact NH1-CD 3.25Å; R74-E107 IonicContact NH1-OE1 2.77Å; R74-E107 PolarHBondContact NH1-OE1 2.75Å; R74-E107 IonicContact NH1-OE2 3.34Å; R74-E107 PolarHBondContact NH1-OE2 2.82Å; R74-E107 IonicContact NH2-OE1 2.81Å; R74-E107 PolarHBondContact NH2-OE1 3.38Å; R74-E107 IonicContact NH2-OE2 2.71Å
75P74Confident85.7Confident58 Ų5863.5 Ų63.538%0.37733%0.325SS..PPolyproline II helixtrans-53.8132.4176-2433000109.4N77 T78 I106P75-N77 PolarHBondContact O-N 2.87Å; P75-T78 HydrophobicContact CB-CG2 3.88Å; P75-T78 HydrophobicContact CG-CG2 4.29Å; P75-T78 WeakPolarHBondContact O-CG2 3.49Å; P75-I106 HydrophobicContact CG-CD1 4.02Å
76L68.7Low85.8Confident174 Ų17461.9 Ų61.991%0.91131%0.312SS*.SBendtrans-66.8-26.6-179.2-60.6177.3000111.1R74R74-L76 PolarHBondContact O-N 2.79Å
77N78.2Confident85.7Confident127 Ų12762.6 Ų62.668%0.67932%0.317SS*.SBendtrans-103.490177.7-59.4-6.4000109P75P75-N77 PolarHBondContact O-N 2.87Å
78T83.5Confident85.5Confident39 Ų3964.5 Ų64.524%0.23934%0.339CS..  trans-125.8148.2170.157.80000110.6P75 I106P75-T78 HydrophobicContact CB-CG2 3.88Å; P75-T78 HydrophobicContact CG-CG2 4.29Å; P75-T78 WeakPolarHBondContact O-CG2 3.49Å; T78-I106 HydrophobicContact CG2-CD1 3.33Å
79W87Confident85.2Confident56 Ų5667.4 Ų67.421%0.21236%0.363CS..EExtended strand (participates in β ladder)trans-101.1109.8178-69.8-89.5000110M119 E120 K121 E122 A125W79-M119 PolarHBondContact N-O 2.71Å; W79-M119 PolarHBondContact O-N 3.34Å; W79-E120 VanDerWaalsContact CZ3-O 3.32Å; W79-E120 WeakPolarHBondContact CZ3-O 3.32Å; W79-K121 VanDerWaalsContact CZ3-C 3.46Å; W79-K121 VanDerWaalsContact CZ3-CA 3.42Å; W79-E122 HydrophobicContact CD2-CB 3.86Å; W79-E122 HydrophobicContact CD2-CG 4.19Å; W79-E122 VanDerWaalsContact CE2-CB 3.43Å; W79-E122 VanDerWaalsContact CE2-OE2 3.29Å; W79-E122 HydrophobicContact CE3-CB 4.27Å; W79-E122 HydrophobicContact CG-CB 4.46Å; W79-E122 HydrophobicContact CG-CG 4.36Å; W79-E122 HydrophobicContact CH2-CB 3.87Å; W79-E122 HydrophobicContact CZ2-CB 3.45Å; W79-E122 VanDerWaalsContact CZ2-CB 3.45Å; W79-E122 HydrophobicContact CZ2-CG 3.99Å; W79-E122 VanDerWaalsContact CZ2-OE2 3.26Å; W79-E122 WeakPolarHBondContact CZ2-OE2 3.46Å; W79-E122 HydrophobicContact CZ3-CB 4.27Å; W79-E122 PolarHBondContact NE1-OE2 2.82Å; W79-A125 HydrophobicContact CB-CB 3.72Å; W79-A125 HydrophobicContact CG-CB 4.41Å
80K90.6Very high84.8Confident49 Ų4964.7 Ų64.721%0.21335%0.351CS..EExtended strand (participates in β ladder)trans-81.4121.4175.8-170179.8-175.6172.90109.8F116 V117 H118 S147K80-F116 HydrophobicContact CD-CD1 4.36Å; K80-F116 VanDerWaalsContact CE-CG 3.4Å; K80-F116 HydrophobicContact CG-CD1 4.42Å; K80-V117 CarbonylContact C-O 3.4Å; K80-H118 WeakPolarHBondContact CD-NE2 3.46Å; K80-H118 WeakPolarHBondContact CG-NE2 3.49Å; K80-S147 WeakPolarHBondContact O-CA 3.17Å; K80-S147 WeakPolarHBondContact O-CB 3.22Å; K80-S147 PolarHBondContact O-N 3.07Å
81I93.1Very high84.6Confident0 Ų062.8 Ų62.80%035%0.345CS..EExtended strand (participates in β ladder)trans-100.4139.2173.7-57.3178000108V83 F99 F116 V117 M119 A125 A128 I129 V144 E145I81-V83 HydrophobicContact CG2-CG2 4.3Å; I81-F99 HydrophobicContact CD1-CD1 4.16Å; I81-F99 HydrophobicContact CD1-CE1 3.9Å; I81-F99 HydrophobicContact CG2-CE1 4.14Å; I81-F99 HydrophobicContact CG2-CZ 4.4Å; I81-F116 VanDerWaalsContact O-CA 3.31Å; I81-F116 WeakPolarHBondContact O-CA 3.42Å; I81-V117 HydrophobicContact CB-CB 4.38Å; I81-V117 PolarHBondContact N-O 2.72Å; I81-V117 PolarHBondContact O-N 2.71Å; I81-M119 HydrophobicContact CD1-CG 3.55Å; I81-M119 HydrophobicContact CD1-SD 4.45Å; I81-M119 HydrophobicContact CG1-CG 4.27Å; I81-A125 HydrophobicContact CD1-CB 3.99Å; I81-A125 HydrophobicContact CG1-CB 4.27Å; I81-A128 HydrophobicContact CD1-CB 4.25Å; I81-I129 HydrophobicContact CD1-CG1 4.48Å; I81-I129 HydrophobicContact CG1-CD1 4.37Å; I81-I129 HydrophobicContact CG2-CD1 4.48Å; I81-I129 HydrophobicContact CG2-CG1 4.14Å; I81-V144 HydrophobicContact CG2-CG1 3.42Å; I81-V144 VanDerWaalsContact CG2-CG1 3.42Å; I81-E145 CarbonylContact C-O 3.6Å; I81-E145 WeakPolarHBondContact CA-O 3.46Å; I81-E145 WeakPolarHBondContact CG2-O 3.38Å
82F93.2Very high84.5Confident58 Ų5863.9 Ų63.925%0.25435%0.353SS..EExtended strand (participates in β ladder)trans-98.6134.6167.4172.9-109000109.4Y114 F116 V144 E145F82-Y114 HydrophobicContact CD2-CD2 4.47Å; F82-Y114 AromaticContact CE2-CD2 3.8Å; F82-Y114 HydrophobicContact CE2-CD2 3.8Å; F82-Y114 AromaticContact CE2-CG 3.82Å; F82-Y114 HydrophobicContact CE2-CG 3.82Å; F82-Y114 HydrophobicContact CZ-CG 4.43Å; F82-F116 HydrophobicContact CB-CD1 4.36Å; F82-F116 HydrophobicContact CB-CE1 4.27Å; F82-F116 HydrophobicContact CD2-CD1 4.05Å; F82-F116 AromaticContact CD2-CE1 3.55Å; F82-F116 HydrophobicContact CD2-CE1 3.55Å; F82-F116 HydrophobicContact CD2-CZ 4.16Å; F82-F116 HydrophobicContact CE2-CE1 4.4Å; F82-F116 HydrophobicContact CG-CE1 4.36Å; F82-V144 WeakPolarHBondContact O-CA 3.22Å; F82-E145 PolarHBondContact N-O 3.46Å; F82-E145 PolarHBondContact O-N 3.01Å
83V92.8Very high84.6Confident0 Ų062.8 Ų62.80%036%0.355CS..EExtended strand (participates in β ladder)trans-121.4101.8177.6-1720000107.8I81 V86 F99 Y114 A115 V117 I142 N143 V144I81-V83 HydrophobicContact CG2-CG2 4.3Å; V83-V86 HydrophobicContact CB-CG2 4.23Å; V83-V86 HydrophobicContact CG1-CG2 3.67Å; V83-V86 WeakPolarHBondContact O-CG2 3.44Å; V83-F99 HydrophobicContact CG2-CE2 3.74Å; V83-F99 HydrophobicContact CG2-CZ 3.54Å; V83-Y114 CarbonylContact O-C 3.42Å; V83-Y114 WeakPolarHBondContact O-CA 3.18Å; V83-Y114 VanDerWaalsContact O-CB 3.3Å; V83-Y114 WeakPolarHBondContact O-CB 3.47Å; V83-A115 HydrophobicContact CB-CB 4.16Å; V83-A115 PolarHBondContact N-O 2.93Å; V83-A115 PolarHBondContact O-N 2.84Å; V83-V117 HydrophobicContact CG2-CG2 4.1Å; V83-I142 HydrophobicContact CG1-CB 4.02Å; V83-I142 HydrophobicContact CG1-CD1 4.15Å; V83-I142 HydrophobicContact CG1-CG2 4.34Å; V83-N143 CarbonylContact C-O 3.6Å; V83-N143 VanDerWaalsContact CA-O 3.25Å; V83-N143 WeakPolarHBondContact CA-O 3.47Å; V83-V144 HydrophobicContact CG1-CG2 4.33Å; V83-V144 HydrophobicContact CG2-CG1 4.5Å
84G92Very high85.2Confident7 Ų760.5 Ų60.57%0.07233%0.334CS..EExtended strand (participates in β ladder)trans-89.7164.6176.100000113.2V86 I142 N143G84-V86 PolarHBondContact O-N 3.31Å; G84-I142 WeakPolarHBondContact O-CA 3.26Å; G84-N143 PolarHBondContact N-O 3.13Å; G84-N143 PolarHBondContact O-N 3.3Å
85N91.2Very high86.1Confident82 Ų8255 Ų5544%0.43931%0.313SS..SBendtrans56.234178.7-163.841.4000114.4D113 R141N85-D113 CarbonylContact C-O 3.18Å; N85-D113 PolarHBondContact N-O 2.8Å; N85-D113 VanDerWaalsContact N-O 3.15Å; N85-R141 PolarHBondContact ND2-O 3.2Å
86V88.9Confident86.9Confident0 Ų058.1 Ų58.10%032%0.317CS..  trans-62.5137.6170.5178.40000108.6V83 G84 C90 L95 V110 D113 A115V83-V86 HydrophobicContact CB-CG2 4.23Å; V83-V86 HydrophobicContact CG1-CG2 3.67Å; V83-V86 WeakPolarHBondContact O-CG2 3.44Å; G84-V86 PolarHBondContact O-N 3.31Å; V86-C90 HydrophobicContact CG1-CB 3.68Å; V86-L95 HydrophobicContact CG1-CD1 3.93Å; V86-L95 HydrophobicContact CG2-CD1 4.06Å; V86-V110 HydrophobicContact CG1-CG1 4.5Å; V86-D113 PolarHBondContact N-O 2.83Å; V86-A115 HydrophobicContact CG2-CB 4.22Å
87S86.1Confident87.9Confident18 Ų1852.8 Ų52.813%0.12630%0.295CS..  trans-72.3139.1173.4-164.80000109.4A89 C90S87-A89 PolarHBondContact O-N 3.25Å; S87-C90 VanDerWaalsContact O-CB 3.29Å; S87-C90 WeakPolarHBondContact O-CB 3.33Å; S87-C90 PolarHBondContact O-N 3.03Å
88A84.1Confident88.5Confident95 Ų9548 Ų4879%0.78527%0.269SS*.THydrogen-bonded Turntrans-62.1-15.1178.400000113
89A83.5Confident88.9Confident61 Ų6146.2 Ų46.250%0.50426%0.258SS..THydrogen-bonded Turntrans-85-9.5171.600000114.2S87 K138S87-A89 PolarHBondContact O-N 3.25Å; A89-K138 HydrophobicContact CB-CD 3.95Å; A89-K138 WeakPolarHBondContact O-CD 3.42Å; A89-K138 PolarHBondContact O-NZ 2.89Å
90C83.3Confident89Confident9 Ų947.2 Ų47.26%0.06127%0.265CS..  trans-78.3126.7178-66.30000110.4V86 S87 E94V86-C90 HydrophobicContact CG1-CB 3.68Å; S87-C90 VanDerWaalsContact O-CB 3.29Å; S87-C90 WeakPolarHBondContact O-CB 3.33Å; S87-C90 PolarHBondContact O-N 3.03Å; C90-E94 WeakPolarHBondContact CA-OE2 3.32Å
91T86.1Confident89Confident63 Ų6353.4 Ų53.439%0.38729%0.287SS..  trans-85159175.3700000111.2Q93 E94 L95T91-Q93 PolarHBondContact O-N 2.94Å; T91-E94 PolarHBondContact N-OE2 3.31Å; T91-E94 PolarHBondContact O-N 2.83Å; T91-E94 VanDerWaalsContact OG1-CG 3.3Å; T91-E94 WeakPolarHBondContact OG1-CG 3.19Å; T91-E94 PolarHBondContact OG1-N 3.42Å; T91-E94 VanDerWaalsContact OG1-N 3.15Å; T91-L95 PolarHBondContact O-N 3.31Å
92S86Confident88.8Confident46 Ų4658.4 Ų58.432%0.32231%0.306SS..Hα-helixtrans-58.2-35.1171.751.20000112.2R96 C108S92-R96 WeakPolarHBondContact O-CB 3.47Å; S92-R96 PolarHBondContact O-N 2.78Å; S92-C108 PolarHBondContact O-SG 3.22Å; S92-C108 VanDerWaalsContact O-SG 3.39Å
93Q86.2Confident88.5Confident143 Ų14356.3 Ų56.367%0.66830%0.3SS*.Hα-helixtrans-66-44.8176.7-171.9176.11.800112.1T91 R96 S97T91-Q93 PolarHBondContact O-N 2.94Å; Q93-R96 WeakPolarHBondContact O-CB 3.32Å; Q93-R96 PolarHBondContact O-N 3.38Å; Q93-S97 PolarHBondContact O-N 2.96Å; Q93-S97 PolarHBondContact O-OG 3.28Å
94E89.3Confident88.3Confident69 Ų6963.3 Ų63.332%0.32233%0.327SS..Hα-helixtrans-62.9-44.5177.7-73.1166.3163.100112.3C90 T91 S97 L98 K138C90-E94 WeakPolarHBondContact CA-OE2 3.32Å; T91-E94 PolarHBondContact N-OE2 3.31Å; T91-E94 PolarHBondContact O-N 2.83Å; T91-E94 VanDerWaalsContact OG1-CG 3.3Å; T91-E94 WeakPolarHBondContact OG1-CG 3.19Å; T91-E94 PolarHBondContact OG1-N 3.42Å; T91-E94 VanDerWaalsContact OG1-N 3.15Å; E94-S97 PolarHBondContact O-N 3.15Å; E94-L98 WeakPolarHBondContact O-CG 3.41Å; E94-L98 PolarHBondContact O-N 2.92Å; E94-K138 VanDerWaalsContact OE1-CE 3.22Å; E94-K138 WeakPolarHBondContact OE1-CE 3.29Å; E94-K138 IonicContact OE1-NZ 3.64Å; E94-K138 PolarHBondContact OE1-NZ 3.15Å; E94-K138 VanDerWaalsContact OE2-CE 3.24Å; E94-K138 WeakPolarHBondContact OE2-CE 3.33Å; E94-K138 IonicContact OE2-NZ 2.73Å; E94-K138 PolarHBondContact OE2-NZ 2.86Å
95L90.5Very high88.2Confident1 Ų163.6 Ų63.61%0.00533%0.327CS..Hα-helixtrans-62.1-47.4173.2-70179.9000110.5V86 T91 S97 L98 F99 V110 A115V86-L95 HydrophobicContact CG1-CD1 3.93Å; V86-L95 HydrophobicContact CG2-CD1 4.06Å; T91-L95 PolarHBondContact O-N 3.31Å; L95-S97 PolarHBondContact O-N 2.77Å; L95-L98 HydrophobicContact CD2-CD1 4.46Å; L95-L98 WeakPolarHBondContact O-CB 3.45Å; L95-L98 PolarHBondContact O-N 2.81Å; L95-F99 VanDerWaalsContact O-CD2 3.29Å; L95-F99 WeakPolarHBondContact O-CD2 3.12Å; L95-F99 PolarHBondContact O-N 3.11Å; L95-V110 HydrophobicContact CD1-CG2 3.87Å; L95-A115 HydrophobicContact CD1-CB 3.59Å
96R90.4Very high88Confident123 Ų12362.4 Ų62.446%0.46432%0.32SS..Hα-helixtrans-54-49.6177.4177.7176.1169.2-174.6-7.2111.5S92 Q93 L98 F99 E100 V105 C108S92-R96 WeakPolarHBondContact O-CB 3.47Å; S92-R96 PolarHBondContact O-N 2.78Å; Q93-R96 WeakPolarHBondContact O-CB 3.32Å; Q93-R96 PolarHBondContact O-N 3.38Å; R96-L98 VanDerWaalsContact C-N 3.28Å; R96-L98 PolarHBondContact O-N 2.77Å; R96-F99 PolarHBondContact O-N 3.44Å; R96-F99 VanDerWaalsContact O-N 3.13Å; R96-E100 HydrophobicContact CG-CG 4.13Å; R96-E100 IonicContact CZ-OE1 2.77Å; R96-E100 VanDerWaalsContact CZ-OE1 3.26Å; R96-E100 IonicContact NE-OE1 3.38Å; R96-E100 PolarHBondContact NE-OE1 3.34Å; R96-E100 IonicContact NH2-OE1 3.47Å; R96-E100 PolarHBondContact NH2-OE1 3.12Å; R96-E100 WeakPolarHBondContact O-CB 3.16Å; R96-E100 WeakPolarHBondContact O-CG 3.34Å; R96-E100 PolarHBondContact O-N 3.4Å; R96-V105 HydrophobicContact CG-CB 4.4Å; R96-V105 HydrophobicContact CG-CG1 4.18Å; R96-C108 HydrophobicContact CB-CB 4.04Å
97S90.8Very high87.8Confident62 Ų6264.5 Ų64.543%0.43433%0.33SS..Hα-helixtrans-65.7-25.9177.8-59.30000114.1Q93 E94 L95Q93-S97 PolarHBondContact O-N 2.96Å; Q93-S97 PolarHBondContact O-OG 3.28Å; E94-S97 PolarHBondContact O-N 3.15Å; L95-S97 PolarHBondContact O-N 2.77Å
98L90.2Very high87.9Confident28 Ų2864.7 Ų64.715%0.14733%0.331CS..Hα-helixtrans-70.8-40.4170.8-75.7167.3000112.3E94 L95 R96 V137E94-L98 WeakPolarHBondContact O-CG 3.41Å; E94-L98 PolarHBondContact O-N 2.92Å; L95-L98 HydrophobicContact CD2-CD1 4.46Å; L95-L98 WeakPolarHBondContact O-CB 3.45Å; L95-L98 PolarHBondContact O-N 2.81Å; R96-L98 VanDerWaalsContact C-N 3.28Å; R96-L98 PolarHBondContact O-N 2.77Å; L98-V137 HydrophobicContact CD1-CG1 3.95Å; L98-V137 HydrophobicContact CD1-CG2 3.89Å
99F90.5Very high88Confident1 Ų162.5 Ų62.50%0.00431%0.306CS..Hα-helixtrans-77.9-34.3177.8-79.2-86.9000112.8I81 V83 L95 R96 R101 R102 G103 V105 V117 M119 A128 L132 V144I81-F99 HydrophobicContact CD1-CD1 4.16Å; I81-F99 HydrophobicContact CD1-CE1 3.9Å; I81-F99 HydrophobicContact CG2-CE1 4.14Å; I81-F99 HydrophobicContact CG2-CZ 4.4Å; V83-F99 HydrophobicContact CG2-CE2 3.74Å; V83-F99 HydrophobicContact CG2-CZ 3.54Å; L95-F99 VanDerWaalsContact O-CD2 3.29Å; L95-F99 WeakPolarHBondContact O-CD2 3.12Å; L95-F99 PolarHBondContact O-N 3.11Å; R96-F99 PolarHBondContact O-N 3.44Å; R96-F99 VanDerWaalsContact O-N 3.13Å; F99-R101 PolarHBondContact O-N 2.74Å; F99-R101 VanDerWaalsContact O-N 3.15Å; F99-R102 PolarHBondContact O-N 2.64Å; F99-G103 PolarHBondContact O-N 2.95Å; F99-V105 HydrophobicContact CB-CG2 3.53Å; F99-V117 HydrophobicContact CB-CG1 4.03Å; F99-V117 HydrophobicContact CD1-CG1 4.16Å; F99-V117 HydrophobicContact CD2-CB 4.48Å; F99-V117 HydrophobicContact CD2-CG1 4.31Å; F99-V117 HydrophobicContact CD2-CG2 3.79Å; F99-V117 HydrophobicContact CE2-CG2 3.87Å; F99-V117 HydrophobicContact CG-CB 4.42Å; F99-V117 HydrophobicContact CG-CG1 3.91Å; F99-V117 HydrophobicContact CG-CG2 4.21Å; F99-V117 HydrophobicContact CZ-CG2 4.33Å; F99-M119 HydrophobicContact CB-SD 4.39Å; F99-M119 HydrophobicContact CD1-SD 4.46Å; F99-A128 HydrophobicContact CD1-CB 3.83Å; F99-A128 HydrophobicContact CE1-CB 3.97Å; F99-L132 HydrophobicContact CD1-CD1 3.73Å; F99-L132 HydrophobicContact CD2-CD1 4.21Å; F99-L132 HydrophobicContact CE1-CD1 3.64Å; F99-L132 HydrophobicContact CE2-CD1 4.12Å; F99-L132 HydrophobicContact CG-CD1 4Å; F99-L132 HydrophobicContact CZ-CD1 3.83Å; F99-V144 HydrophobicContact CE1-CG1 3.95Å; F99-V144 HydrophobicContact CZ-CG1 3.78Å; F99-V144 HydrophobicContact CZ-CG2 4.35Å
100E90.9Very high88.3Confident77 Ų7761.4 Ų61.436%0.3629%0.293SS..Hα-helixtrans-58.2-27.1176.1-80.4174.8157.600112.9R96 R102 G103 V105R96-E100 HydrophobicContact CG-CG 4.13Å; R96-E100 IonicContact CZ-OE1 2.77Å; R96-E100 VanDerWaalsContact CZ-OE1 3.26Å; R96-E100 IonicContact NE-OE1 3.38Å; R96-E100 PolarHBondContact NE-OE1 3.34Å; R96-E100 IonicContact NH2-OE1 3.47Å; R96-E100 PolarHBondContact NH2-OE1 3.12Å; R96-E100 WeakPolarHBondContact O-CB 3.16Å; R96-E100 WeakPolarHBondContact O-CG 3.34Å; R96-E100 PolarHBondContact O-N 3.4Å; E100-R102 PolarHBondContact O-N 2.67Å; E100-G103 WeakPolarHBondContact CA-O 3.43Å; E100-V105 HydrophobicContact CG-CB 4.01Å; E100-V105 HydrophobicContact CG-CG2 3.78Å
101R90.2Very high88.5Confident178 Ų17863 Ų6367%0.67230%0.302SS*.THydrogen-bonded Turntrans-65.3-18.4172.9-166.1177.9-59.7-165.20113.8F99F99-R101 PolarHBondContact O-N 2.74Å; F99-R101 VanDerWaalsContact O-N 3.15Å
102R88.2Confident88.5Confident106 Ų10668.2 Ų68.240%0.432%0.32SS..THydrogen-bonded Turntrans-111.4-18.1-176.6-56.9-53.5-179.3-168.513.9113.3F99 E100 D124 A128F99-R102 PolarHBondContact O-N 2.64Å; E100-R102 PolarHBondContact O-N 2.67Å; R102-D124 WeakPolarHBondContact O-CB 3.25Å; R102-A128 HydrophobicContact CB-CB 3.91Å; R102-A128 HydrophobicContact CG-CB 4.31Å
103G88Confident88.6Confident13 Ų1370.1 Ų70.113%0.13433%0.326CS..SBendtrans169.7178.9173.400000112.9F99 E100 V105 D124F99-G103 PolarHBondContact O-N 2.95Å; E100-G103 WeakPolarHBondContact CA-O 3.43Å; G103-V105 PolarHBondContact O-N 3.03Å; G103-D124 WeakPolarHBondContact CA-OD2 3.48Å
104R88.4Confident88.9Confident148 Ų14866.8 Ų66.856%0.55831%0.308SS*.  trans-73.9111.9-174.1-170.4150.4174.7-101.43.6111.4E120R104-E120 HydrophobicContact CB-CB 4.25Å; R104-E120 WeakPolarHBondContact CB-OE2 3.3Å; R104-E120 WeakPolarHBondContact CD-OE2 3.11Å; R104-E120 WeakPolarHBondContact CG-OE2 3.38Å; R104-E120 IonicContact CZ-OE2 2.7Å; R104-E120 IonicContact NE-OE2 3.96Å; R104-E120 IonicContact NH1-OE1 2.95Å; R104-E120 PolarHBondContact NH1-OE1 2.84Å; R104-E120 IonicContact NH1-OE2 2.61Å; R104-E120 PolarHBondContact NH1-OE2 2.8Å; R104-E120 PolarHBondContact O-N 2.79Å; R104-E120 VanDerWaalsContact O-N 3.09Å
105V89.5Confident89Confident13 Ų1363.5 Ų63.58%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-80.5123.5174.2179.20000109.3R96 F99 E100 G103 C108 V117 M119R96-V105 HydrophobicContact CG-CB 4.4Å; R96-V105 HydrophobicContact CG-CG1 4.18Å; F99-V105 HydrophobicContact CB-CG2 3.53Å; E100-V105 HydrophobicContact CG-CB 4.01Å; E100-V105 HydrophobicContact CG-CG2 3.78Å; G103-V105 PolarHBondContact O-N 3.03Å; V105-C108 HydrophobicContact CG1-CB 4.43Å; V105-V117 HydrophobicContact CG1-CG1 3.78Å; V105-V117 HydrophobicContact CG2-CG1 4.06Å; V105-M119 HydrophobicContact CG2-SD 3.75Å
106I86.4Confident89Confident56 Ų5665.4 Ų65.429%0.28730%0.301SS..EExtended strand (participates in β ladder)trans-87-38.2176.1-66.3169.4000110.6P75 T78 H118 E120P75-I106 HydrophobicContact CG-CD1 4.02Å; T78-I106 HydrophobicContact CG2-CD1 3.33Å; I106-H118 HydrophobicContact CB-CB 4.34Å; I106-H118 PolarHBondContact N-O 3.03Å; I106-E120 HydrophobicContact CD1-CB 3.82Å; I106-E120 HydrophobicContact CD1-CG 4.31Å; I106-E120 HydrophobicContact CG1-CB 4.21Å
107E84.6Confident89.1Confident44 Ų4459.5 Ų59.521%0.20628%0.279CS..EExtended strand (participates in β ladder)trans-157.5143.7-179.1-176.8172.4-122.500110.7R74 V117 H118R74-E107 IonicContact CZ-OE1 3.14Å; R74-E107 IonicContact CZ-OE2 3.48Å; R74-E107 VanDerWaalsContact NH1-CD 3.25Å; R74-E107 IonicContact NH1-OE1 2.77Å; R74-E107 PolarHBondContact NH1-OE1 2.75Å; R74-E107 IonicContact NH1-OE2 3.34Å; R74-E107 PolarHBondContact NH1-OE2 2.82Å; R74-E107 IonicContact NH2-OE1 2.81Å; R74-E107 PolarHBondContact NH2-OE1 3.38Å; R74-E107 IonicContact NH2-OE2 2.71Å; E107-V117 CarbonylContact O-C 3.4Å; E107-V117 WeakPolarHBondContact O-CA 3.15Å; E107-H118 HydrophobicContact CB-CB 4.31Å; E107-H118 PolarHBondContact O-N 2.95Å; E107-H118 IonicContact OE2-CE1 3.61Å; E107-H118 IonicContact OE2-ND1 2.72Å; E107-H118 PolarHBondContact OE2-ND1 3.15Å
108C88.3Confident89.1Confident23 Ų2358 Ų5816%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-131.6114.9172.4-179.70000108.3S92 R96 V105 F116S92-C108 PolarHBondContact O-SG 3.22Å; S92-C108 VanDerWaalsContact O-SG 3.39Å; R96-C108 HydrophobicContact CB-CB 4.04Å; V105-C108 HydrophobicContact CG1-CB 4.43Å; C108-F116 WeakPolarHBondContact CA-O 3.48Å
109D87.7Confident89.1Confident48 Ų4856.7 Ų56.726%0.25726%0.258SS..EExtended strand (participates in β ladder)trans-115127.6176.4-170.114.2000110.2K35 A115 F116K35-D109 IonicContact NZ-OD1 3.26Å; K35-D109 PolarHBondContact NZ-OD1 3.02Å; K35-D109 IonicContact NZ-OD2 3.8Å; K35-D109 PolarHBondContact NZ-OD2 3.39Å; D109-A115 CarbonylContact O-C 3.6Å; D109-A115 WeakPolarHBondContact O-CA 3.44Å; D109-A115 WeakPolarHBondContact O-CB 3.42Å; D109-F116 PolarHBondContact N-O 2.89Å; D109-F116 PolarHBondContact O-N 3.09Å
110V88.3Confident89Confident39 Ų3959.9 Ų59.924%0.23627%0.273CS..EExtended strand (participates in β ladder)trans-108.9128.7-180-175.90000109.1V86 L95 A115V86-V110 HydrophobicContact CG1-CG1 4.5Å; L95-V110 HydrophobicContact CD1-CG2 3.87Å; V110-A115 HydrophobicContact CB-CB 4.37Å; V110-A115 HydrophobicContact CG2-CB 3.9Å
111V87.4Confident88.8Confident41 Ų4162 Ų6225%0.24828%0.281CS..EExtended strand (participates in β ladder)trans-132.698.1-176.9-174.70000108.4D113 Y114V111-D113 PolarHBondContact O-N 2.9Å; V111-Y114 CarbonylContact C-O 3.58Å; V111-Y114 HydrophobicContact CB-CD2 4.19Å; V111-Y114 HydrophobicContact CB-CE1 4.48Å; V111-Y114 HydrophobicContact CB-CE2 3.64Å; V111-Y114 HydrophobicContact CG1-CE1 4.31Å; V111-Y114 HydrophobicContact CG1-CE2 4.01Å; V111-Y114 WeakPolarHBondContact CG1-OH 3.41Å; V111-Y114 HydrophobicContact CG2-CE2 4.33Å; V111-Y114 PolarHBondContact N-O 2.91Å; V111-Y114 WeakPolarHBondContact O-CD1 3.31Å; V111-Y114 WeakPolarHBondContact O-CE1 3.2Å; V111-Y114 PolarHBondContact O-N 3.01Å; V111-Y114 VanDerWaalsContact O-N 3.15Å; V111-Y114 VanDerWaalsContact O-O 3.08Å
112K86Confident88.8Confident173 Ų17357.4 Ų57.475%0.75227%0.267SS*.THydrogen-bonded Turntrans59.6-100.4179.5-55.7174.5178.7-179.70112.9
113D89.2Confident88.9Confident87 Ų8755.7 Ų55.747%0.46528%0.275SS..THydrogen-bonded Turntrans-106.54.3-173.955.7-75.4000113.1N85 V86 V111N85-D113 CarbonylContact C-O 3.18Å; N85-D113 PolarHBondContact N-O 2.8Å; N85-D113 VanDerWaalsContact N-O 3.15Å; V86-D113 PolarHBondContact N-O 2.83Å; V111-D113 PolarHBondContact O-N 2.9Å
114Y91.7Very high89Confident72 Ų7256.5 Ų56.528%0.28228%0.277SS..EExtended strand (participates in β ladder)trans-138.9167.2175.261.7-90.7000112.3F82 V83 V111 F116F82-Y114 HydrophobicContact CD2-CD2 4.47Å; F82-Y114 AromaticContact CE2-CD2 3.8Å; F82-Y114 HydrophobicContact CE2-CD2 3.8Å; F82-Y114 AromaticContact CE2-CG 3.82Å; F82-Y114 HydrophobicContact CE2-CG 3.82Å; F82-Y114 HydrophobicContact CZ-CG 4.43Å; V83-Y114 CarbonylContact O-C 3.42Å; V83-Y114 WeakPolarHBondContact O-CA 3.18Å; V83-Y114 VanDerWaalsContact O-CB 3.3Å; V83-Y114 WeakPolarHBondContact O-CB 3.47Å; V111-Y114 CarbonylContact C-O 3.58Å; V111-Y114 HydrophobicContact CB-CD2 4.19Å; V111-Y114 HydrophobicContact CB-CE1 4.48Å; V111-Y114 HydrophobicContact CB-CE2 3.64Å; V111-Y114 HydrophobicContact CG1-CE1 4.31Å; V111-Y114 HydrophobicContact CG1-CE2 4.01Å; V111-Y114 WeakPolarHBondContact CG1-OH 3.41Å; V111-Y114 HydrophobicContact CG2-CE2 4.33Å; V111-Y114 PolarHBondContact N-O 2.91Å; V111-Y114 WeakPolarHBondContact O-CD1 3.31Å; V111-Y114 WeakPolarHBondContact O-CE1 3.2Å; V111-Y114 PolarHBondContact O-N 3.01Å; V111-Y114 VanDerWaalsContact O-N 3.15Å; V111-Y114 VanDerWaalsContact O-O 3.08Å; Y114-F116 HydrophobicContact CD2-CE2 4.11Å; Y114-F116 HydrophobicContact CD2-CZ 4.32Å; Y114-F116 HydrophobicContact CE2-CD2 4.48Å; Y114-F116 AromaticContact CE2-CE2 3.72Å; Y114-F116 HydrophobicContact CE2-CE2 3.72Å; Y114-F116 HydrophobicContact CE2-CZ 4.11Å
115A91.6Very high89.1Confident0 Ų049.5 Ų49.50%025%0.25CS..EExtended strand (participates in β ladder)trans-140.6162.3175.600000112V83 V86 L95 D109 V110V83-A115 HydrophobicContact CB-CB 4.16Å; V83-A115 PolarHBondContact N-O 2.93Å; V83-A115 PolarHBondContact O-N 2.84Å; V86-A115 HydrophobicContact CG2-CB 4.22Å; L95-A115 HydrophobicContact CD1-CB 3.59Å; D109-A115 CarbonylContact O-C 3.6Å; D109-A115 WeakPolarHBondContact O-CA 3.44Å; D109-A115 WeakPolarHBondContact O-CB 3.42Å; V110-A115 HydrophobicContact CB-CB 4.37Å; V110-A115 HydrophobicContact CG2-CB 3.9Å
116F91.8Very high89.2Confident41 Ų4154 Ų5418%0.1827%0.269CS..EExtended strand (participates in β ladder)trans-123.7128.1171.8-65.5-66.5000110K80 I81 F82 C108 D109 Y114K80-F116 HydrophobicContact CD-CD1 4.36Å; K80-F116 VanDerWaalsContact CE-CG 3.4Å; K80-F116 HydrophobicContact CG-CD1 4.42Å; I81-F116 VanDerWaalsContact O-CA 3.31Å; I81-F116 WeakPolarHBondContact O-CA 3.42Å; F82-F116 HydrophobicContact CB-CD1 4.36Å; F82-F116 HydrophobicContact CB-CE1 4.27Å; F82-F116 HydrophobicContact CD2-CD1 4.05Å; F82-F116 AromaticContact CD2-CE1 3.55Å; F82-F116 HydrophobicContact CD2-CE1 3.55Å; F82-F116 HydrophobicContact CD2-CZ 4.16Å; F82-F116 HydrophobicContact CE2-CE1 4.4Å; F82-F116 HydrophobicContact CG-CE1 4.36Å; C108-F116 WeakPolarHBondContact CA-O 3.48Å; D109-F116 PolarHBondContact N-O 2.89Å; D109-F116 PolarHBondContact O-N 3.09Å; Y114-F116 HydrophobicContact CD2-CE2 4.11Å; Y114-F116 HydrophobicContact CD2-CZ 4.32Å; Y114-F116 HydrophobicContact CE2-CD2 4.48Å; Y114-F116 AromaticContact CE2-CE2 3.72Å; Y114-F116 HydrophobicContact CE2-CE2 3.72Å; Y114-F116 HydrophobicContact CE2-CZ 4.11Å
117V91.6Very high89.5Confident0 Ų053.1 Ų53.10%027%0.27CS..EExtended strand (participates in β ladder)trans-119.3126.7179.1-1750000108.8K80 I81 V83 F99 V105 E107 M119K80-V117 CarbonylContact C-O 3.4Å; I81-V117 HydrophobicContact CB-CB 4.38Å; I81-V117 PolarHBondContact N-O 2.72Å; I81-V117 PolarHBondContact O-N 2.71Å; V83-V117 HydrophobicContact CG2-CG2 4.1Å; F99-V117 HydrophobicContact CB-CG1 4.03Å; F99-V117 HydrophobicContact CD1-CG1 4.16Å; F99-V117 HydrophobicContact CD2-CB 4.48Å; F99-V117 HydrophobicContact CD2-CG1 4.31Å; F99-V117 HydrophobicContact CD2-CG2 3.79Å; F99-V117 HydrophobicContact CE2-CG2 3.87Å; F99-V117 HydrophobicContact CG-CB 4.42Å; F99-V117 HydrophobicContact CG-CG1 3.91Å; F99-V117 HydrophobicContact CG-CG2 4.21Å; F99-V117 HydrophobicContact CZ-CG2 4.33Å; V105-V117 HydrophobicContact CG1-CG1 3.78Å; V105-V117 HydrophobicContact CG2-CG1 4.06Å; E107-V117 CarbonylContact O-C 3.4Å; E107-V117 WeakPolarHBondContact O-CA 3.15Å; V117-M119 HydrophobicContact CG1-SD 3.98Å
118H90.1Very high89.9Confident30 Ų3051 Ų5114%0.13926%0.26CS..EExtended strand (participates in β ladder)trans-100.1120.8175.4-62.390.1000109.4K80 I106 E107K80-H118 WeakPolarHBondContact CD-NE2 3.46Å; K80-H118 WeakPolarHBondContact CG-NE2 3.49Å; I106-H118 HydrophobicContact CB-CB 4.34Å; I106-H118 PolarHBondContact N-O 3.03Å; E107-H118 HydrophobicContact CB-CB 4.31Å; E107-H118 PolarHBondContact O-N 2.95Å; E107-H118 IonicContact OE2-CE1 3.61Å; E107-H118 IonicContact OE2-ND1 2.72Å; E107-H118 PolarHBondContact OE2-ND1 3.15Å
119M90.3Very high90.1Very high0 Ų051.3 Ų51.30%026%0.26CS..EExtended strand (participates in β ladder)trans-102.8148.9178-58.4-63.8-79.400111.1W79 I81 F99 V105 V117 D124 A125W79-M119 PolarHBondContact N-O 2.71Å; W79-M119 PolarHBondContact O-N 3.34Å; I81-M119 HydrophobicContact CD1-CG 3.55Å; I81-M119 HydrophobicContact CD1-SD 4.45Å; I81-M119 HydrophobicContact CG1-CG 4.27Å; F99-M119 HydrophobicContact CB-SD 4.39Å; F99-M119 HydrophobicContact CD1-SD 4.46Å; V105-M119 HydrophobicContact CG2-SD 3.75Å; V117-M119 HydrophobicContact CG1-SD 3.98Å; M119-D124 HydrophobicContact CE-CB 3.98Å; M119-A125 HydrophobicContact CB-CB 4.02Å; M119-A125 HydrophobicContact CG-CB 4.02Å
120E88.2Confident90.2Very high69 Ų6952.9 Ų52.932%0.32228%0.28SS..SBendtrans-75.5-22.5176.3-170.8171.2-174.800114.2W79 R104 I106W79-E120 VanDerWaalsContact CZ3-O 3.32Å; W79-E120 WeakPolarHBondContact CZ3-O 3.32Å; R104-E120 HydrophobicContact CB-CB 4.25Å; R104-E120 WeakPolarHBondContact CB-OE2 3.3Å; R104-E120 WeakPolarHBondContact CD-OE2 3.11Å; R104-E120 WeakPolarHBondContact CG-OE2 3.38Å; R104-E120 IonicContact CZ-OE2 2.7Å; R104-E120 IonicContact NE-OE2 3.96Å; R104-E120 IonicContact NH1-OE1 2.95Å; R104-E120 PolarHBondContact NH1-OE1 2.84Å; R104-E120 IonicContact NH1-OE2 2.61Å; R104-E120 PolarHBondContact NH1-OE2 2.8Å; R104-E120 PolarHBondContact O-N 2.79Å; R104-E120 VanDerWaalsContact O-N 3.09Å; I106-E120 HydrophobicContact CD1-CB 3.82Å; I106-E120 HydrophobicContact CD1-CG 4.31Å; I106-E120 HydrophobicContact CG1-CB 4.21Å
121K88.2Confident90.3Very high120 Ų12055.9 Ų55.952%0.52229%0.291SS..  trans-132.7145.5-174.2-67.3-178.2-178.6176.70113.2W79 D124 A125W79-K121 VanDerWaalsContact CZ3-C 3.46Å; W79-K121 VanDerWaalsContact CZ3-CA 3.42Å; K121-D124 HydrophobicContact CB-CB 4Å; K121-A125 WeakPolarHBondContact O-CB 3.46Å; K121-A125 PolarHBondContact O-N 3.45Å
122E88.7Confident90.5Very high82 Ų8254.1 Ų54.138%0.38328%0.28SS..Hα-helixtrans-69.8-42.6179.8-159.5168.8123.800112.2W79 A125 K126W79-E122 HydrophobicContact CD2-CB 3.86Å; W79-E122 HydrophobicContact CD2-CG 4.19Å; W79-E122 VanDerWaalsContact CE2-CB 3.43Å; W79-E122 VanDerWaalsContact CE2-OE2 3.29Å; W79-E122 HydrophobicContact CE3-CB 4.27Å; W79-E122 HydrophobicContact CG-CB 4.46Å; W79-E122 HydrophobicContact CG-CG 4.36Å; W79-E122 HydrophobicContact CH2-CB 3.87Å; W79-E122 HydrophobicContact CZ2-CB 3.45Å; W79-E122 VanDerWaalsContact CZ2-CB 3.45Å; W79-E122 HydrophobicContact CZ2-CG 3.99Å; W79-E122 VanDerWaalsContact CZ2-OE2 3.26Å; W79-E122 WeakPolarHBondContact CZ2-OE2 3.46Å; W79-E122 HydrophobicContact CZ3-CB 4.27Å; W79-E122 PolarHBondContact NE1-OE2 2.82Å; E122-A125 PolarHBondContact O-N 2.8Å; E122-K126 HydrophobicContact CG-CD 4.08Å; E122-K126 HydrophobicContact CG-CG 4.44Å; E122-K126 WeakPolarHBondContact O-CB 3.5Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 3.02Å; E122-K126 WeakPolarHBondContact OE1-CE 3.29Å; E122-K126 IonicContact OE1-NZ 3.4Å; E122-K126 PolarHBondContact OE1-NZ 3.39Å
123A90.2Very high90.8Very high70 Ų7049.4 Ų49.458%0.57926%0.263SS*.Hα-helixtrans-58.3-51.3178.600000110A125 K126 A127A123-A125 VanDerWaalsContact C-N 3.32Å; A123-A125 PolarHBondContact O-N 2.76Å; A123-K126 PolarHBondContact O-N 2.89Å; A123-A127 VanDerWaalsContact O-CB 3.23Å; A123-A127 WeakPolarHBondContact O-CB 3.42Å; A123-A127 PolarHBondContact O-N 2.89Å
124D91.3Very high90.7Very high31 Ų3147.2 Ų47.217%0.16626%0.261CS..Hα-helixtrans-57.4-42.9175.3-57.619.8000111.8R102 G103 M119 K121 A128R102-D124 WeakPolarHBondContact O-CB 3.25Å; G103-D124 WeakPolarHBondContact CA-OD2 3.48Å; M119-D124 HydrophobicContact CE-CB 3.98Å; K121-D124 HydrophobicContact CB-CB 4Å; D124-A128 WeakPolarHBondContact O-CB 3.3Å; D124-A128 PolarHBondContact O-N 2.73Å
125A90.7Very high90.6Very high0 Ų047.6 Ų47.60%026%0.264CS..Hα-helixtrans-66.5-45178.900000112.8W79 I81 M119 K121 E122 A123 A128 I129W79-A125 HydrophobicContact CB-CB 3.72Å; W79-A125 HydrophobicContact CG-CB 4.41Å; I81-A125 HydrophobicContact CD1-CB 3.99Å; I81-A125 HydrophobicContact CG1-CB 4.27Å; M119-A125 HydrophobicContact CB-CB 4.02Å; M119-A125 HydrophobicContact CG-CB 4.02Å; K121-A125 WeakPolarHBondContact O-CB 3.46Å; K121-A125 PolarHBondContact O-N 3.45Å; E122-A125 PolarHBondContact O-N 2.8Å; A123-A125 VanDerWaalsContact C-N 3.32Å; A123-A125 PolarHBondContact O-N 2.76Å; A125-A128 PolarHBondContact O-N 3Å; A125-I129 WeakPolarHBondContact O-CD1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 3.35Å; A125-I129 PolarHBondContact O-N 3.04Å
126K91.2Very high90.5Very high109 Ų10953.2 Ų53.247%0.47429%0.29SS..Hα-helixtrans-65.4-41.8176-75.8175168171.80111.7E122 A123 I129 A130E122-K126 HydrophobicContact CG-CD 4.08Å; E122-K126 HydrophobicContact CG-CG 4.44Å; E122-K126 WeakPolarHBondContact O-CB 3.5Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 3.02Å; E122-K126 WeakPolarHBondContact OE1-CE 3.29Å; E122-K126 IonicContact OE1-NZ 3.4Å; E122-K126 PolarHBondContact OE1-NZ 3.39Å; A123-K126 PolarHBondContact O-N 2.89Å; K126-I129 PolarHBondContact O-N 3.39Å; K126-A130 WeakPolarHBondContact O-CB 3.35Å; K126-A130 PolarHBondContact O-N 3.18Å
127A92.3Very high90.2Very high37 Ų3752 Ų5231%0.30629%0.287SS..Hα-helixtrans-65.5-41.4175.700000111.9A123 A130 Q131A123-A127 VanDerWaalsContact O-CB 3.23Å; A123-A127 WeakPolarHBondContact O-CB 3.42Å; A123-A127 PolarHBondContact O-N 2.89Å; A127-A130 PolarHBondContact O-N 3.32Å; A127-Q131 WeakPolarHBondContact O-CB 3.47Å; A127-Q131 WeakPolarHBondContact O-CG 3.19Å; A127-Q131 PolarHBondContact O-N 2.95Å; A127-Q131 VanDerWaalsContact O-N 3.11Å
128A92.1Very high89.9Confident0 Ų056.8 Ų56.80%031%0.307CS..Hα-helixtrans-61.4-44.517400000111.6I81 F99 R102 D124 A125 Q131 L132I81-A128 HydrophobicContact CD1-CB 4.25Å; F99-A128 HydrophobicContact CD1-CB 3.83Å; F99-A128 HydrophobicContact CE1-CB 3.97Å; R102-A128 HydrophobicContact CB-CB 3.91Å; R102-A128 HydrophobicContact CG-CB 4.31Å; D124-A128 WeakPolarHBondContact O-CB 3.3Å; D124-A128 PolarHBondContact O-N 2.73Å; A125-A128 PolarHBondContact O-N 3Å; A128-Q131 PolarHBondContact O-N 2.62Å; A128-L132 HydrophobicContact CB-CD1 4.3Å; A128-L132 WeakPolarHBondContact O-CB 3.34Å; A128-L132 WeakPolarHBondContact O-CG 3.38Å; A128-L132 PolarHBondContact O-N 3.22Å
129I92.6Very high89.7Confident29 Ų2958.2 Ų58.215%0.14933%0.33CS..Hα-helixtrans-58.4-53.9173.8-75.6161.2000111I81 A125 K126 Q131 N133 V144 L146I81-I129 HydrophobicContact CD1-CG1 4.48Å; I81-I129 HydrophobicContact CG1-CD1 4.37Å; I81-I129 HydrophobicContact CG2-CD1 4.48Å; I81-I129 HydrophobicContact CG2-CG1 4.14Å; A125-I129 WeakPolarHBondContact O-CD1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 3.35Å; A125-I129 PolarHBondContact O-N 3.04Å; K126-I129 PolarHBondContact O-N 3.39Å; I129-Q131 PolarHBondContact O-N 2.85Å; I129-Q131 VanDerWaalsContact O-N 3.14Å; I129-N133 WeakPolarHBondContact O-CB 3.44Å; I129-N133 PolarHBondContact O-N 3.44Å; I129-V144 HydrophobicContact CB-CG1 4.49Å; I129-V144 HydrophobicContact CG1-CG1 3.84Å; I129-V144 WeakPolarHBondContact CG2-O 3.11Å; I129-L146 HydrophobicContact CD1-CB 4.31Å; I129-L146 HydrophobicContact CD1-CD2 3.5Å; I129-L146 VanDerWaalsContact CD1-CD2 3.5Å; I129-L146 HydrophobicContact CD1-CG 3.53Å
130A91.5Very high89.5Confident81 Ų8161.6 Ų61.667%0.66935%0.345SS*.Hα-helixtrans-61.1-26.7-176.300000114K126 A127K126-A130 WeakPolarHBondContact O-CB 3.35Å; K126-A130 PolarHBondContact O-N 3.18Å; A127-A130 PolarHBondContact O-N 3.32Å
131Q89.8Confident89.7Confident101 Ų10166.4 Ų66.447%0.47236%0.36SS..Hα-helixtrans-109.5-17.6-173.7-63.5178.8-1.400114.9A127 A128 I129A127-Q131 WeakPolarHBondContact O-CB 3.47Å; A127-Q131 WeakPolarHBondContact O-CG 3.19Å; A127-Q131 PolarHBondContact O-N 2.95Å; A127-Q131 VanDerWaalsContact O-N 3.11Å; A128-Q131 PolarHBondContact O-N 2.62Å; I129-Q131 PolarHBondContact O-N 2.85Å; I129-Q131 VanDerWaalsContact O-N 3.14Å
132L90.9Very high89.9Confident4 Ų460.8 Ų60.82%0.02134%0.336CS..Hα-helixtrans-105.6-18.4177.2-59.4175.2000112.4F99 A128 G134 K135 I142 V144F99-L132 HydrophobicContact CD1-CD1 3.73Å; F99-L132 HydrophobicContact CD2-CD1 4.21Å; F99-L132 HydrophobicContact CE1-CD1 3.64Å; F99-L132 HydrophobicContact CE2-CD1 4.12Å; F99-L132 HydrophobicContact CG-CD1 4Å; F99-L132 HydrophobicContact CZ-CD1 3.83Å; A128-L132 HydrophobicContact CB-CD1 4.3Å; A128-L132 WeakPolarHBondContact O-CB 3.34Å; A128-L132 WeakPolarHBondContact O-CG 3.38Å; A128-L132 PolarHBondContact O-N 3.22Å; L132-G134 PolarHBondContact O-N 3.46Å; L132-K135 HydrophobicContact CD2-CD 3.82Å; L132-K135 WeakPolarHBondContact O-CB 3.38Å; L132-K135 PolarHBondContact O-N 3.22Å; L132-K135 VanDerWaalsContact O-N 3.12Å; L132-I142 HydrophobicContact CB-CD1 4.4Å; L132-I142 WeakPolarHBondContact O-CG1 3.41Å; L132-V144 HydrophobicContact CB-CG2 4.01Å
133N91.9Very high90.1Very high75 Ų7559.5 Ų59.540%0.40133%0.332SS..THydrogen-bonded Turntrans-63.7130.2173.6-164.94.7000110.9I129 K135 N143 V144I129-N133 WeakPolarHBondContact O-CB 3.44Å; I129-N133 PolarHBondContact O-N 3.44Å; N133-K135 PolarHBondContact O-N 2.84Å; N133-N143 PolarHBondContact ND2-OD1 2.98Å; N133-N143 WeakPolarHBondContact OD1-CA 3.24Å; N133-N143 PolarHBondContact OD1-OD1 3.38Å; N133-V144 HydrophobicContact CB-CB 3.99Å; N133-V144 PolarHBondContact ND2-O 3.13Å; N133-V144 PolarHBondContact OD1-N 3.45Å; N133-V144 VanDerWaalsContact OD1-N 3.08Å
134G88.1Confident90.2Very high40 Ų4056.2 Ų56.241%0.41230%0.304SS..THydrogen-bonded Turntrans78.6-4.5-175.200000115L132 I142L132-G134 PolarHBondContact O-N 3.46Å; G134-I142 WeakPolarHBondContact CA-O 3.45Å; G134-I142 PolarHBondContact N-O 3.34Å
135K89.5Confident90.3Very high81 Ų8159.1 Ų59.135%0.35232%0.317SS..  trans-67.6139-179.7-174.8176.9178-177.10111.1L132 N133 R141 I142L132-K135 HydrophobicContact CD2-CD 3.82Å; L132-K135 WeakPolarHBondContact O-CB 3.38Å; L132-K135 PolarHBondContact O-N 3.22Å; L132-K135 VanDerWaalsContact O-N 3.12Å; N133-K135 PolarHBondContact O-N 2.84Å; K135-R141 CarbonylContact O-C 3.58Å; K135-R141 WeakPolarHBondContact O-CA 3.36Å; K135-I142 HydrophobicContact CB-CG1 4.48Å; K135-I142 WeakPolarHBondContact O-CG1 3.44Å; K135-I142 PolarHBondContact O-N 3.29Å
136E89.9Confident90.3Very high117 Ų11763.1 Ų63.155%0.54734%0.338SS..EExtended strand (participates in β ladder)trans-81.7127.3174.7-157.7166.6120.500112.1K140 R141E136-K140 CarbonylContact C-O 3.59Å; E136-K140 WeakPolarHBondContact CA-O 3.48Å; E136-R141 HydrophobicContact CB-CG 4.39Å; E136-R141 HydrophobicContact CG-CG 4.46Å; E136-R141 IonicContact OE2-NE 2.92Å
137V85.7Confident89.9Confident17 Ų1758.5 Ų58.510%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-134.6119.1176.6-170.30000107.8L98 G139 K140 I142L98-V137 HydrophobicContact CD1-CG1 3.95Å; L98-V137 HydrophobicContact CD1-CG2 3.89Å; V137-G139 VanDerWaalsContact C-N 3.32Å; V137-G139 PolarHBondContact O-N 2.78Å; V137-K140 PolarHBondContact N-O 2.92Å; V137-K140 PolarHBondContact O-N 2.76Å; V137-K140 VanDerWaalsContact O-N 3.15Å; V137-I142 HydrophobicContact CB-CG2 4.27Å; V137-I142 HydrophobicContact CG2-CD1 4.07Å; V137-I142 HydrophobicContact CG2-CG1 4.32Å; V137-I142 HydrophobicContact CG2-CG2 4.15Å
138K85Confident88.9Confident99 Ų9962.9 Ų62.943%0.4334%0.342SS..THydrogen-bonded Turntrans47.349.9-175.8-64.8-171.8170172.30113.6A89 E94 K140A89-K138 HydrophobicContact CB-CD 3.95Å; A89-K138 WeakPolarHBondContact O-CD 3.42Å; A89-K138 PolarHBondContact O-NZ 2.89Å; E94-K138 VanDerWaalsContact OE1-CE 3.22Å; E94-K138 WeakPolarHBondContact OE1-CE 3.29Å; E94-K138 IonicContact OE1-NZ 3.64Å; E94-K138 PolarHBondContact OE1-NZ 3.15Å; E94-K138 VanDerWaalsContact OE2-CE 3.24Å; E94-K138 WeakPolarHBondContact OE2-CE 3.33Å; E94-K138 IonicContact OE2-NZ 2.73Å; E94-K138 PolarHBondContact OE2-NZ 2.86Å; K138-K140 VanDerWaalsContact C-N 3.27Å; K138-K140 PolarHBondContact O-N 2.9Å
139G84.6Confident87.4Confident61 Ų6172 Ų7263%0.62938%0.382SS*.THydrogen-bonded Turntrans72.111.4176.400000115.6V137V137-G139 VanDerWaalsContact C-N 3.32Å; V137-G139 PolarHBondContact O-N 2.78Å
140K88Confident85.6Confident71 Ų7172.4 Ų72.431%0.30939%0.393SS..EExtended strand (participates in β ladder)trans-126.2140.3171.5-64.7-161.6-170.4-179.30111.2E136 V137 K138 I142E136-K140 CarbonylContact C-O 3.59Å; E136-K140 WeakPolarHBondContact CA-O 3.48Å; V137-K140 PolarHBondContact N-O 2.92Å; V137-K140 PolarHBondContact O-N 2.76Å; V137-K140 VanDerWaalsContact O-N 3.15Å; K138-K140 VanDerWaalsContact C-N 3.27Å; K138-K140 PolarHBondContact O-N 2.9Å; K140-I142 PolarHBondContact O-N 3.15Å
141R91.4Very high83.5Confident170 Ų17075.5 Ų75.564%0.64239%0.393SS*.EExtended strand (participates in β ladder)trans-80.4116.3171.4-63.6-174-176.1-171.60.1110.1N85 K135 E136N85-R141 PolarHBondContact ND2-O 3.2Å; K135-R141 CarbonylContact O-C 3.58Å; K135-R141 WeakPolarHBondContact O-CA 3.36Å; E136-R141 HydrophobicContact CB-CG 4.39Å; E136-R141 HydrophobicContact CG-CG 4.46Å; E136-R141 IonicContact OE2-NE 2.92Å
142I93.1Very high81.2Confident2 Ų280.5 Ų80.51%0.0141%0.414CS..PPolyproline II helixtrans-75.3139.1176.961.7172.1000110.1V83 G84 L132 G134 K135 V137 K140 V144V83-I142 HydrophobicContact CG1-CB 4.02Å; V83-I142 HydrophobicContact CG1-CD1 4.15Å; V83-I142 HydrophobicContact CG1-CG2 4.34Å; G84-I142 WeakPolarHBondContact O-CA 3.26Å; L132-I142 HydrophobicContact CB-CD1 4.4Å; L132-I142 WeakPolarHBondContact O-CG1 3.41Å; G134-I142 WeakPolarHBondContact CA-O 3.45Å; G134-I142 PolarHBondContact N-O 3.34Å; K135-I142 HydrophobicContact CB-CG1 4.48Å; K135-I142 WeakPolarHBondContact O-CG1 3.44Å; K135-I142 PolarHBondContact O-N 3.29Å; V137-I142 HydrophobicContact CB-CG2 4.27Å; V137-I142 HydrophobicContact CG2-CD1 4.07Å; V137-I142 HydrophobicContact CG2-CG1 4.32Å; V137-I142 HydrophobicContact CG2-CG2 4.15Å; K140-I142 PolarHBondContact O-N 3.15Å; I142-V144 HydrophobicContact CB-CG2 4.48Å; I142-V144 HydrophobicContact CD1-CG2 3.71Å; I142-V144 HydrophobicContact CG1-CG2 3.88Å
143N91.8Very high78.6Confident55 Ų5586.7 Ų86.729%0.29444%0.441SS..EExtended strand (participates in β ladder)trans-95.4127.1168.5-177.321.2000108.3V83 G84 N133 E145V83-N143 CarbonylContact C-O 3.6Å; V83-N143 VanDerWaalsContact CA-O 3.25Å; V83-N143 WeakPolarHBondContact CA-O 3.47Å; G84-N143 PolarHBondContact N-O 3.13Å; G84-N143 PolarHBondContact O-N 3.3Å; N133-N143 PolarHBondContact ND2-OD1 2.98Å; N133-N143 WeakPolarHBondContact OD1-CA 3.24Å; N133-N143 PolarHBondContact OD1-OD1 3.38Å; N143-E145 PolarHBondContact ND2-OE1 3.32Å; N143-E145 PolarHBondContact OD1-OE1 3.04Å
144V93.8Very high76.1Confident0 Ų085.3 Ų85.30%044%0.444CS..EExtended strand (participates in β ladder)trans-123.8118.6-175.1-1690000109.7I81 F82 V83 F99 I129 L132 N133 I142I81-V144 HydrophobicContact CG2-CG1 3.42Å; I81-V144 VanDerWaalsContact CG2-CG1 3.42Å; F82-V144 WeakPolarHBondContact O-CA 3.22Å; V83-V144 HydrophobicContact CG1-CG2 4.33Å; V83-V144 HydrophobicContact CG2-CG1 4.5Å; F99-V144 HydrophobicContact CE1-CG1 3.95Å; F99-V144 HydrophobicContact CZ-CG1 3.78Å; F99-V144 HydrophobicContact CZ-CG2 4.35Å; I129-V144 HydrophobicContact CB-CG1 4.49Å; I129-V144 HydrophobicContact CG1-CG1 3.84Å; I129-V144 WeakPolarHBondContact CG2-O 3.11Å; L132-V144 HydrophobicContact CB-CG2 4.01Å; N133-V144 HydrophobicContact CB-CB 3.99Å; N133-V144 PolarHBondContact ND2-O 3.13Å; N133-V144 PolarHBondContact OD1-N 3.45Å; N133-V144 VanDerWaalsContact OD1-N 3.08Å; I142-V144 HydrophobicContact CB-CG2 4.48Å; I142-V144 HydrophobicContact CD1-CG2 3.71Å; I142-V144 HydrophobicContact CG1-CG2 3.88Å
145E92.2Very high73.7Confident93 Ų9390.7 Ų90.744%0.43547%0.471SS..EExtended strand (participates in β ladder)trans-139159.1-171.8-66.6179.1-172.600112I81 F82 N143 S147I81-E145 CarbonylContact C-O 3.6Å; I81-E145 WeakPolarHBondContact CA-O 3.46Å; I81-E145 WeakPolarHBondContact CG2-O 3.38Å; F82-E145 PolarHBondContact N-O 3.46Å; F82-E145 PolarHBondContact O-N 3.01Å; N143-E145 PolarHBondContact ND2-OE1 3.32Å; N143-E145 PolarHBondContact OD1-OE1 3.04Å; E145-S147 PolarHBondContact O-N 2.8Å
146L89.9Confident71.2Confident83 Ų8389.1 Ų89.144%0.43548%0.478SS..EExtended strand (participates in β ladder)trans-67.8129.4169-74.3174.5000110I129 T148I129-L146 HydrophobicContact CD1-CB 4.31Å; I129-L146 HydrophobicContact CD1-CD2 3.5Å; I129-L146 VanDerWaalsContact CD1-CD2 3.5Å; I129-L146 HydrophobicContact CD1-CG 3.53Å; L146-T148 PolarHBondContact O-N 3.24Å
147S84Confident69Low12 Ų1290.2 Ų90.28%0.08449%0.487CS..  trans-77.496.6-177.3-1640000111.7K80 E145 K149 G150K80-S147 WeakPolarHBondContact O-CA 3.17Å; K80-S147 WeakPolarHBondContact O-CB 3.22Å; K80-S147 PolarHBondContact O-N 3.07Å; E145-S147 PolarHBondContact O-N 2.8Å; S147-K149 PolarHBondContact O-N 3.36Å; S147-K149 VanDerWaalsContact O-N 3.11Å; S147-G150 PolarHBondContact O-N 3.18Å
148T71.2Confident66.7Low130 Ų13093.5 Ų93.580%0.79852%0.516SS*.THydrogen-bonded Turntrans-60.9-16.4175.653.90000114.2L146L146-T148 PolarHBondContact O-N 3.24Å
149K60.5Low65Low192 Ų19294.1 Ų94.184%0.83553%0.528SS*.THydrogen-bonded Turntrans-101.715.8-174.3-62.3-175.2178.8178.60114.5S147S147-K149 PolarHBondContact O-N 3.36Å; S147-K149 VanDerWaalsContact O-N 3.11Å
150G54.3Low63Low36 Ų36100 Ų10037%0.37154%0.539SS..THydrogen-bonded Turntrans-118.4-28-178.100000115.5S147 K152S147-G150 PolarHBondContact O-N 3.18Å; G150-K152 VanDerWaalsContact C-N 3.31Å; G150-K152 PolarHBondContact O-N 3.48Å
151Q48Very low60.8Low146 Ų146102.7 Ų102.768%0.68257%0.566SS**  trans-75.485.1178.3-70.1-169.1-1700110.4K153Q151-K153 PolarHBondContact O-N 2.86Å
152K40.8Very low58.3Low206 Ų20698 Ų9890%0.89657%0.572SS**  trans-6184.4143-83.1-169.7174.7-175.20106.7G150 G154G150-K152 VanDerWaalsContact C-N 3.31Å; G150-K152 PolarHBondContact O-N 3.48Å; K152-G154 PolarHBondContact O-N 2.84Å
153K37.8Very low55.9Low135 Ų135104.5 Ų104.559%0.58761%0.606SS**  trans-47.7116.7159.8-176.5168.9-176.6168.10105.6Q151 L157Q151-K153 PolarHBondContact O-N 2.86Å; K153-L157 WeakPolarHBondContact CE-O 3.37Å; K153-L157 PolarHBondContact NZ-O 3.32Å
154G39.2Very low53.8Low46 Ų46111.2 Ų111.247%0.47463%0.633SS.*  trans-53.9151.5177.600000109.5K152 G156K152-G154 PolarHBondContact O-N 2.84Å; G154-G156 PolarHBondContact O-N 2.82Å
155P37.7Very low51.3Low152 Ų152117.7 Ų117.799%0.98767%0.672SS**SBendtrans-67.983.2175.329.1-33.6000109.3
156G35.6Very low49Very low48 Ų48122.3 Ų122.350%0.49569%0.691SS.*SBendtrans172.7132.6-172.700000110.5G154G154-G156 PolarHBondContact O-N 2.82Å
157L44.6Very low46.8Very low141 Ų141127.7 Ų127.774%0.73871%0.711SS**  trans59.571177.8-67.497.6000115.7K153 V159K153-L157 WeakPolarHBondContact CE-O 3.37Å; K153-L157 PolarHBondContact NZ-O 3.32Å; L157-V159 HydrophobicContact CB-CG2 4.26Å; L157-V159 HydrophobicContact CD2-CG2 4.15Å; L157-V159 PolarHBondContact O-N 3.22Å
158A36.9Very low44.8Very low85 Ų85133 Ų13370%0.70275%0.745SS**  trans-64.771.9143.500000110.4Q160A158-Q160 PolarHBondContact O-N 3.25Å
159V48.8Very low43.1Very low112 Ų112130.7 Ų130.768%0.67975%0.747SS**  trans-62.7122.4163.7174.60000107.5L157L157-V159 HydrophobicContact CB-CG2 4.26Å; L157-V159 HydrophobicContact CD2-CG2 4.15Å; L157-V159 PolarHBondContact O-N 3.22Å
160Q43.7Very low42.2Very low185 Ų185126.1 Ų126.186%0.86475%0.746SS**  trans-77.4121-178.2-59.9171.218.400108.5A158A158-Q160 PolarHBondContact O-N 3.25Å
161S42.2Very low41.5Very low127 Ų127128.2 Ų128.289%0.88877%0.767SS**  trans-139115.8154.8-175.20000106.6
162G38.7Very low41.5Very low73 Ų73127.7 Ų127.775%0.75377%0.769SS**  cis153.813.65.200000114.5
163D41.7Very low41.8Very low137 Ų137124 Ų12473%0.73376%0.764SS**  trans-143.281.4176.4-165.43.4000111.6
164K47.6Very low42Very low197 Ų197121.6 Ų121.686%0.85777%0.769SS**  trans-146.385.3155.4-71.7-165.5179173.70107.8K166K164-K166 PolarHBondContact O-N 2.88Å
165T42.4Very low42.1Very low135 Ų135128.7 Ų128.783%0.82879%0.787SS**  trans-62.775162.826.50000109.7K167T165-K167 PolarHBondContact O-N 3.15Å
166K43.5Very low42.4Very low191 Ų191127.1 Ų127.183%0.8378%0.777SS**  trans-72.198173.8-165.1-174.5-173.9-168.50107.3K164 P168K164-K166 PolarHBondContact O-N 2.88Å; K166-P168 WeakPolarHBondContact O-CD 3.39Å
167K43.4Very low42.6Very low196 Ų196128.5 Ų128.585%0.85279%0.791SS**  trans-46.5124.6166.3-83.1-172.3170.5-172.60108.9T165T165-K167 PolarHBondContact O-N 3.15Å
168P42.9Very low42.3Very low122 Ų122128.9 Ų128.979%0.79280%0.799SS**  trans-77.5152.9168.733-33000110K166K166-P168 WeakPolarHBondContact O-CD 3.39Å
169G34.1Very low42.3Very low82 Ų82128.3 Ų128.385%0.84580%0.802SS**  trans62.593.7155.500000118.4
170A42.1Very low41.8Very low97 Ų97125.9 Ų125.980%0.80280%0.799SS**  trans-161.386.2147.600000106.5
171G39.6Very low41.5Very low80 Ų80127.4 Ų127.483%0.82580%0.804SS**  trans-133.545.7-170.300000110.4
172D48.8Very low41.3Very low134 Ų134126.8 Ų126.872%0.71780%0.799SS**  trans-83.1137.1-168.8-60.4-70.9000112.5
173T47.4Very low41.4Very low129 Ų129127.6 Ų127.679%0.79180%0.799SS**  trans55.1100.4155.955.30000118.5
174A41.1Very low41.4Very low85 Ų85126.3 Ų126.370%0.70280%0.796SS**  -173.4106.9109.300000112.9
175F42Very low41Very low195 Ų195127 Ų12786%0.85580%0.799SS**  trans41156138.2-58.1-82000122.7
176P43.8Very low40.6Very low119 Ų119126 Ų12677%0.77379%0.789SS**  cis-132.1157.2-4635.2-19.8000112.6
177G39.1Very low40.5Very low76 Ų76127.9 Ų127.978%0.78479%0.792SS**  trans-148.266.2-177.600000114
178T39.2Very low40.5Very low149 Ų149124.8 Ų124.891%0.91478%0.781SS**  trans23.1109153.1-41.10000119.8
179G36.2Very low40.4Very low73 Ų73127.2 Ų127.275%0.75378%0.782SS**  trans123.3108.3140.800000118.5
180G38.6Very low40.6Very low61 Ų61127 Ų12763%0.62977%0.773SS**  trans60.3142.5150.700000119.6
181F38.1Very low40.6Very low218 Ų218132.2 Ų132.296%0.95678%0.777SS**  cis-151.2173.99.5-65.6-86.9000110.4
182S37.8Very low40.5Very low114 Ų114131.7 Ų131.780%0.79777%0.772SS**  trans-95149.4-161.3-172.90000116.4
183A40.4Very low39.9Very low90 Ų90132.1 Ų132.174%0.74478%0.775SS**  trans153.493.114800000108.9
184T41.3Very low39.6Very low109 Ų109131.1 Ų131.167%0.66977%0.773SS**  52.4107.979.1-51.40000113.7
185F39.4Very low39.5Very low212 Ų212133 Ų13393%0.9378%0.776SS**  -167.5134.7121.7-89.8-61.7000110.2
186D35Very low39.4Very low113 Ų113127.8 Ų127.860%0.60478%0.777SS**  trans-101.8147.6178.4178.5-95.8000109.4
187Y39.8Very low39Very low231 Ų231125.8 Ų125.891%0.90678%0.778SS**  trans-149.2111.3159.5-122.6-81.6000111.1
188Q44.7Very low39.1Very low132 Ų132131.4 Ų131.462%0.61778%0.781SS**  trans-80.5173.5174.4-63.5172.217.800112.9
189Q39.1Very low39.2Very low172 Ų172131 Ų13180%0.80477%0.773SS**  trans96.5142.5140.5-90.7171.745.100121.6
190A39.6Very low39.5Very low79 Ų79130.8 Ų130.865%0.65377%0.771SS**  trans67134.1171.700000116.2
191F41.1Very low39.7Very low205 Ų205137.4 Ų137.490%0.89979%0.785SS**  cis-135.2147.614.3-70.5-101.3000109.4
192G38.8Very low39.8Very low70 Ų70131.7 Ų131.772%0.72278%0.779SS**  88.278.771.700000110.9
193N35.9Very low40.1Very low143 Ų143138.1 Ų138.177%0.76579%0.785SS**  66.5110.385.6-170.259.7000116.5
194S40.1Very low40.4Very low107 Ų107141.9 Ų141.975%0.74879%0.787SS**  trans179.795.3152.1-770000109
195T40.4Very low40.6Very low125 Ų125142.4 Ų142.477%0.76779%0.792SS**  72.5122.286.356.80000116.8
196G38.5Very low41.4Very low86 Ų86138.7 Ų138.789%0.88779%0.787SS**  trans109.2116.1171.900000113.5
197G36.5Very low42.2Very low76 Ų76138.8 Ų138.878%0.78479%0.794SS**  cis116.8810.100000112.7
198F40.9Very low42.3Very low195 Ų195133.5 Ų133.586%0.85579%0.788SS**  trans-154136159.4-151.7-101.4000112.3
199D42Very low42.1Very low141 Ų141135.8 Ų135.875%0.75480%0.796SS**  trans-54160.7172-60.9-101.8000112.9
200G42.5Very low42.3Very low68 Ų68136.6 Ų136.670%0.70180%0.797SS**  cis131.687.513.900000109.7
201Q42.3Very low42.2Very low200 Ų200136.4 Ų136.494%0.93580%0.803SS**  trans-144134163.3-84.7-145.8-27.400111.9
202A40Very low42.4Very low98 Ų98138 Ų13881%0.8180%0.803SS**  trans-84.3149.3-173.100000113.3
203R43.3Very low42.7Very low249 Ų249140.8 Ų140.894%0.9480%0.802SS**  trans-130.799.5161.2-75-165175-158.9-0.4111.9
204Q46.7Very low43.2Very low169 Ų169144.5 Ų144.579%0.7981%0.805SS**  trans31.2116.9145.5-55.5-59.4-20.300119.4
205P46.7Very low42.9Very low119 Ų119145.3 Ų145.377%0.77381%0.811SS**PPolyproline II helixtrans-81.3134.8163.533.5-30.8000111.3
206T56.4Low43Very low134 Ų134144.8 Ų144.882%0.82281%0.809SS**PPolyproline II helixtrans-85.3143.4171.943.70000111.6
207P50Low43.4Very low116 Ų116148.9 Ų148.975%0.75381%0.81SS**PPolyproline II helixtrans-83.3147-170.932.6-35.9000113.3
208P42Very low43.7Very low119 Ų119157 Ų15777%0.77382%0.817SS**PPolyproline II helixtrans-92.7121.6172.833.9-29.4000111.2
209F41.5Very low44.1Very low180 Ų180159.5 Ų159.579%0.78982%0.821SS**  trans-140.8113171.2-123.7-101.6000113.6
210F42.4Very low44.1Very low189 Ų189158 Ų15883%0.82982%0.821SS**  trans49.6126147.6-74.4-109.9000121.2
211G39.1Very low44.9Very low75 Ų75160.6 Ų160.677%0.77383%0.826SS**  trans167.366.6159.500000118.9
212R44.1Very low45.4Very low238 Ų238157.1 Ų157.190%0.89882%0.821SS**  trans48.7101.3154.9-69.7-179.5173.7176.5-1.1118.2
213D45.2Very low45.3Very low129 Ų129164.3 Ų164.369%0.6983%0.827SS**  94.8101.279.6-84.7-56.5000115.2
214R45.7Very low45.3Very low222 Ų222156.4 Ų156.484%0.83882%0.815SS**  trans51.8101.8137.9-60.6179.6179.6-173.4-0.4119P216R214-P216 WeakPolarHBondContact O-CD 3.47Å
215S35.3Very low45Very low124 Ų124153.3 Ų153.387%0.86781%0.812SS**  trans-77.8135.5146.8-42.30000111.1
216P42.8Very low44.7Very low113 Ų113158.3 Ų158.373%0.73482%0.817SS**  trans-144.571.2160.237.9-18.8000113.6R214R214-P216 WeakPolarHBondContact O-CD 3.47Å
217L46.5Very low44.1Very low173 Ų173158.5 Ų158.591%0.90682%0.817SS**  trans-135.737.6175.3-85.7178.5000115.1
218R43.4Very low43.8Very low246 Ų246157 Ų15793%0.92882%0.815SS**  trans-151.180.3156.3-80.6-152.8177.4-116.1-3.2112.9
219R47.4Very low44.2Very low248 Ų248157.2 Ų157.294%0.93682%0.816SS**  trans-138.6121.5149.9-93.4-171.3173.3-164.1-2.6109
220S43Very low44.4Very low109 Ų109156.1 Ų156.176%0.76282%0.818SS**PPolyproline II helixtrans-68136.517141.60000110.2
221P59.5Low44.7Very low122 Ų122153.7 Ų153.779%0.79282%0.819SS**PPolyproline II helixtrans-72.3132.817729.3-33.1000110.6
222P51.6Low45Very low128 Ų128154.2 Ų154.283%0.83182%0.816SS**PPolyproline II helixtrans-75.9147.7168.532-32.8000110.9
223R38.8Very low45Very low248 Ų248151.7 Ų151.794%0.93681%0.814SS**PPolyproline II helixtrans-84.2128177.2154-170.9168.2148.6-2.7110.2
224A42.9Very low45.1Very low84 Ų84150.7 Ų150.769%0.69482%0.815SS**  trans179.1138.9137.400000114.4
225S40.3Very low45Very low103 Ų103144.5 Ų144.572%0.7281%0.811SS**  trans56.7120.1148.843.90000123.1
226Y41.9Very low45.5Very low224 Ų224145 Ų14588%0.87881%0.809SS**  24.6139129.9-68.7-92.5000119.1
227V43.8Very low45.2Very low138 Ų138149.8 Ų149.884%0.83681%0.814SS**  cis-152.4156.8501750000110.8
228A42.6Very low44.7Very low86 Ų86152.6 Ų152.671%0.71181%0.813SS**  trans-107.8157174.200000112.9
229P51.3Low44.6Very low122 Ų122144.5 Ų144.579%0.79280%0.798SS**  -137.8154.1109.635.7-22.9000112.4
230L45Very low44.4Very low158 Ų158140.7 Ų140.783%0.82779%0.791SS**  cis92.778.830.4-148.1172.4000114.7
231T49.2Very low44.6Very low137 Ų137140.3 Ų140.384%0.8479%0.786SS**  trans-160.1112.9148.1440000107
232A45Very low43.4Very low86 Ų86140.1 Ų140.171%0.71179%0.788SS**  84.1104.359.500000114.6
233Q43.4Very low43.3Very low186 Ų186140.5 Ų140.587%0.86979%0.787SS**  175.9150.6121.2-86.4-66.1-32.300110.9
234P48.5Very low43.3Very low108 Ų108134.4 Ų134.470%0.70178%0.783SS**  trans-132.6-167.2-158.245.1-29.1000117
235A43.6Very low43.4Very low91 Ų91139 Ų13975%0.75279%0.794SS**  trans75.1139165.900000117.1
236T44.3Very low43.3Very low136 Ų136137.3 Ų137.383%0.83479%0.794SS**  -154.6153.760-64.20000114.4
237Y36.9Very low43.4Very low212 Ų212130.4 Ų130.483%0.83178%0.783SS**  trans-58.1151.7-179.6-87.9-123.7000116.8
238R36.5Very low43.3Very low233 Ų233127.9 Ų127.988%0.87978%0.777SS**  -157.5123.6117.4-160.9168.9-176.6121.1-2.9112.1
239A42.2Very low43Very low76 Ų76133.4 Ų133.463%0.62878%0.78SS**  trans-96.7159.4173.500000112
240Q41.7Very low42.3Very low167 Ų167139.5 Ų139.578%0.7879%0.788SS**  trans-130141.3164.5-76-69.7-83.600109.1
241P46.9Very low41.9Very low102 Ų102136 Ų13666%0.66278%0.781SS**  trans-96.7157.5-160.637.3-35.6000114
242S35.5Very low41.6Very low118 Ų118137.9 Ų137.983%0.82578%0.781SS**  trans-69.3137158.9-53.70000110.2
243V49.3Very low41.5Very low136 Ų136139.1 Ų139.182%0.82478%0.782SS**  trans-126.9124.4166.1-1030000109.3
244S38.9Very low41Very low120 Ų120136.4 Ų136.484%0.83978%0.783SS**  trans-97.6118.1-179.2-56.70000110.6
245L43.8Very low40.8Very low179 Ų179135.7 Ų135.794%0.93779%0.787SS**  trans-143.7134.4161.9-85.6155.8000105.2
246G40.3Very low40.6Very low69 Ų69137.2 Ų137.271%0.71179%0.791SS**  cis139.978.810.900000109.2
247A42.3Very low40.6Very low78 Ų78139.3 Ų139.365%0.64580%0.797SS**  trans43.7114.4165.600000120.4Y249A247-Y249 HydrophobicContact CB-CE1 4.36Å
248A42.6Very low40.7Very low86 Ų86132.6 Ų132.671%0.71179%0.792SS**  trans-163.296.1136.200000114
249Y37.1Very low41Very low201 Ų201127.7 Ų127.779%0.78879%0.787SS**  trans-7122144.711.1-94.2000118.3A247A247-Y249 HydrophobicContact CB-CE1 4.36Å
250R35.6Very low40.8Very low250 Ų250127.5 Ų127.594%0.94379%0.793SS**  -169.9142.8109.8-154163.9-167.1151.82.9112.1
251A37.3Very low40.5Very low84 Ų84130 Ų13069%0.69480%0.797SS**  trans-80.6146.3178.800000113.3
252Q41.8Very low40.2Very low177 Ų177137.2 Ų137.283%0.82781%0.811SS**  trans-138.8135.6159.4-76-63.1-79.700109.5
253P42.9Very low40.5Very low113 Ų113137 Ų13773%0.73480%0.804SS**  trans-86.8167-177.935.7-35.4000113A255P253-A255 PolarHBondContact O-N 3.01Å
254S33.9Very low40Very low129 Ų129138.9 Ų138.990%0.90280%0.804SS**  trans-50.1126.5170.9-177.60000112.9
255A43.6Very low40.4Very low93 Ų93138 Ų13877%0.76980%0.796SS**  trans-141.3121166.700000110.6P253P253-A255 PolarHBondContact O-N 3.01Å
256S40.2Very low40.1Very low122 Ų122137.6 Ų137.685%0.85379%0.791SS**  trans-81.4128.1-179.445.90000112.7
257L43.8Very low40.3Very low181 Ų181141.5 Ų141.595%0.94880%0.801SS**  trans-102.9133.3163.7-73.9148.4000108.4
258G37.7Very low40Very low70 Ų70142.2 Ų142.272%0.72281%0.807SS**  cis-173.4153.4-900000110.7
259V42.9Very low39.9Very low131 Ų131147.4 Ų147.479%0.79482%0.817SS**  trans-129.2124.2168.1175.80000106.7Y261V259-Y261 HydrophobicContact CG1-CE2 4.23Å
260G38.5Very low40Very low72 Ų72142.1 Ų142.174%0.74282%0.815SS**  trans-90.1129.5-174.300000113
261Y35.4Very low40.2Very low219 Ų219134.4 Ų134.486%0.85980%0.804SS**  trans-127.3142.2157.3-80.2-80000109.9V259V259-Y261 HydrophobicContact CG1-CE2 4.23Å
262R42Very low40.4Very low254 Ų254135.2 Ų135.296%0.95881%0.805SS**  trans-89154.5-173.8-162.4177.5-175.4-1751.4110.5
263T40.8Very low40.2Very low113 Ų113137.2 Ų137.269%0.69381%0.806SS**  trans-124.7166.7-15548.80000115.4
264Q39.7Very low39.8Very low175 Ų175143 Ų14382%0.81881%0.814SS**  trans88.4155.9151-60.8-137.325.700120.3
265P46.2Very low40.2Very low102 Ų102140.8 Ų140.866%0.66280%0.803SS**  cis-145.7167.9-36.839.5-22.6000117.4
266M37Very low40.3Very low171 Ų171144.8 Ų144.884%0.84281%0.806SS**  trans33129.4144.4-70.2-66.6-170.200123.7
267T44.2Very low40.6Very low151 Ų151144 Ų14493%0.92680%0.797SS**  -167.1167.411615.70000111.1
268A37.6Very low40.2Very low92 Ų92140.5 Ų140.576%0.7679%0.788SS**  trans-118.1-174.6-159.500000115.3
269Q39.5Very low40.5Very low196 Ų196144.4 Ų144.492%0.91680%0.798SS**  trans86149.8179.8-53.5178.8-6.800115.8
270A39Very low40.4Very low90 Ų90142.9 Ų142.974%0.74479%0.793SS**  cis-169.9151.6-31.500000108.2
271A39.6Very low40.5Very low88 Ų88148.2 Ų148.273%0.72780%0.804SS**  trans42.3127.1163.800000119.2
272S41.1Very low40.6Very low101 Ų101141 Ų14171%0.70680%0.797SS**  -177.4149.477.8-73.20000113
273Y38.6Very low40.6Very low219 Ų219133.7 Ų133.786%0.85979%0.79SS**  trans-4147.5154.9-43.1-85.9000118.5
274R35.3Very low40.9Very low234 Ų234133.5 Ų133.588%0.88379%0.791SS**  cis-176139.243.3-175.6164.4175.6148.20.7113.4
275A41.1Very low40.8Very low82 Ų82135.9 Ų135.968%0.67879%0.794SS**  trans62.4154.3147.500000120.9
276Q46.1Very low40.5Very low177 Ų177143.2 Ų143.283%0.82781%0.808SS**  cis-164.3176.2-8.5-105.7-75.6-68.900107.3
277P45.5Very low40.5Very low105 Ų105138.3 Ų138.368%0.68280%0.801SS**  -122.5174.5-115.344.1-32000116.6
278S36.3Very low40.4Very low108 Ų108140.1 Ų140.176%0.75580%0.8SS**  trans-81.6131.9167.8-47.70000112.1
279V45.1Very low40.5Very low153 Ų153143.2 Ų143.293%0.92780%0.803SS**  trans-70.6144.2168.1-89.40000111.5
280S39.1Very low40.5Very low99 Ų99137.6 Ų137.669%0.69279%0.79SS**  trans-126.4-176.1-169.8-62.10000111.1
281L40.7Very low40.8Very low183 Ų183139 Ų13996%0.95879%0.794SS**  trans96.2134.1164.5-52.7156.4000115.8
282G37.7Very low41.2Very low69 Ų69140.6 Ų140.671%0.71180%0.797SS**  cis158.7136.2-11.800000115.7
283A41.8Very low41.2Very low100 Ų100140.8 Ų140.883%0.82680%0.798SS**  trans68.2158162.400000116.8
284P48.3Very low41.4Very low108 Ų108135.2 Ų135.270%0.70179%0.791SS**  -138.1-176.264.825.2-0.8000116.5
285Y36.6Very low41.8Very low225 Ų225133 Ų13388%0.88279%0.791SS**  trans90.1100.3160.9-71-76.3000122.3
286R39.8Very low41.6Very low256 Ų256134 Ų13497%0.96679%0.793SS**  trans-169.4136133-158.3172.7-171.5166.11.9107.7
287G37.4Very low41Very low68 Ų68129.9 Ų129.970%0.70179%0.789SS**  cis160.7120-7.700000110.2
288Q41.1Very low40.5Very low190 Ų190129.5 Ų129.589%0.88879%0.794SS**  trans-173.4150.6177.8-98.116923.500106.6
289L40.7Very low40.5Very low157 Ų157128.8 Ų128.882%0.82280%0.795SS**  cis-161.2154.9-24.3-152113.2000107.1
290A39.7Very low40.1Very low78 Ų78126.3 Ų126.365%0.64579%0.785SS**  trans62.4102.3163.800000122.1
291S44.5Very low40Very low119 Ų119127 Ų12783%0.83279%0.789SS**  67.4156.9108.1-58.60000122.8
292P48.3Very low40Very low121 Ų121126.3 Ų126.379%0.78679%0.786SS**  trans-134.1166.5-134.342.9-27.4000118
293S40.9Very low40.1Very low106 Ų106126.3 Ų126.374%0.74179%0.786SS**  trans-174.7121.7155.6480000109.2
294S44.3Very low40.1Very low101 Ų101127.6 Ų127.671%0.70679%0.786SS**  87.9127.287.1-60.20000114.1
295Q42.3Very low39.6Very low189 Ų189133.7 Ų133.788%0.88380%0.796SS**  trans66.1150.4162.4-59.6167.419.800115.6
296S36.3Very low39.6Very low102 Ų102126.7 Ų126.771%0.71379%0.793SS**  cis172.3154.8-23.453.90000105.9
297A35.6Very low39.4Very low91 Ų91118 Ų11875%0.75278%0.784SS**  trans70.9116.615900000120.6
298A33.8Very low39.5Very low96 Ų96119.9 Ų119.979%0.79379%0.792SS**  70147.8122.200000122.4
299A37.1Very low39.3Very low93 Ų93118.6 Ų118.677%0.76979%0.786SS**  trans65.6158.5162.800000116.4
300S35.8Very low39.6Very low102 Ų102117.3 Ų117.371%0.71379%0.787SS**  cis-173.6160.4-26.5-920000106.5
301S37.2Very low39.3Very low112 Ų112118.1 Ų118.178%0.78379%0.788SS**  trans66.7153.8167.383.30000114.9
302L41.4Very low39Very low169 Ų169117 Ų11789%0.88579%0.786SS**  cis-130.1153.73.6-65.3138.3000106.5
303G38.2Very low38.4Very low69 Ų69116.8 Ų116.871%0.71179%0.788SS**  110.4112.352.400000109.3
304P43Very low38Very low128 Ų128116 Ų11683%0.83179%0.788SS**  trans-99.5152.5-17036.9-34.2000115.2
305Y36.7Very low37.6Very low235 Ų235119 Ų11992%0.92279%0.794SS**  trans-117.1135.2159.7-90.6-108.1000106.4
306G37.7Very low37.4Very low78 Ų78114.8 Ų114.880%0.80479%0.786SS**  85.912253.100000108.7
307G35.1Very low37.3Very low75 Ų75114.8 Ų114.877%0.77379%0.786SS**  cis167.3-176.72.300000109.4
308A40.3Very low37.4Very low107 Ų107121.6 Ų121.688%0.88479%0.794SS**  trans76.3108.2169.800000120.1
309Q35.9Very low37.7Very low163 Ų163120.8 Ų120.876%0.76280%0.795SS**  trans-78.3163.8149.8-165.5-176.3-58.100109.1
310P46.6Very low37.8Very low129 Ų129119.6 Ų119.684%0.83879%0.792SS**  -143160.8123.336.4-23.1000115.1
311S33.6Very low38Very low96 Ų96124.3 Ų124.367%0.67180%0.802SS**  trans-133.1116176.750.70000110.2
312A38.3Very low38.1Very low94 Ų94123.2 Ų123.278%0.77780%0.8SS**  trans171.7154.917300000107.5
313S36.7Very low37.9Very low118 Ų118120 Ų12083%0.82580%0.798SS**  cis-163.5164.4-16.5-89.60000108.6
314A33Very low37.9Very low90 Ų90121.3 Ų121.374%0.74480%0.802SS**  trans-23.1145.3174.200000120.7
315L34.2Very low37.7Very low162 Ų162120 Ų12085%0.84880%0.802SS**  -171.7151.3119.9-127.866.5000114.9
316S38.2Very low37.7Very low102 Ų102113.7 Ų113.771%0.71379%0.792SS**  trans59.7124.7155-54.80000120
317S35.3Very low37.8Very low101 Ų101115.1 Ų115.171%0.70679%0.79SS**  cis95.2141.631.4-165.20000115.1
318Y37.3Very low38Very low235 Ų235119.7 Ų119.792%0.92280%0.796SS**  trans71.9138.2-171.7-71.7-96.3000117.1
319G39.1Very low37.7Very low78 Ų78121.4 Ų121.480%0.80479%0.79SS**  cis171.4157.3-8.300000113.9
320G40.6Very low37.9Very low69 Ų69119.5 Ų119.571%0.71180%0.795SS**  trans108.4112172.400000115.2
321Q40.1Very low37.2Very low200 Ų200123.9 Ų123.994%0.93580%0.796SS**  65.2139.260.9-74.6177.2-51.900114.2
322A38.5Very low37.2Very low89 Ų89122.7 Ų122.774%0.73680%0.799SS**  cis-159.7143.3400000108.8
323A37Very low37.2Very low102 Ų102123 Ų12384%0.84380%0.801SS**  92.5137.979.600000116.9
324A38Very low37Very low96 Ų96126.9 Ų126.979%0.79381%0.807SS**  trans149.4106.6154.800000110.3
325A39.2Very low37.2Very low100 Ų100126 Ų12683%0.82681%0.806SS**  85.9138.493.100000112.9
326S37Very low37.4Very low103 Ų103123.7 Ų123.772%0.7280%0.804SS**  cis-161.9141.31243.70000113.2
327S38.9Very low37.3Very low108 Ų108123.7 Ų123.776%0.75580%0.804SS**  trans41.4139.7133.2-25.50000121.2
328L40.5Very low37.3Very low172 Ų172126.7 Ų126.790%0.90181%0.811SS**  cis-160.8157.547.1-106.8129.9000114.6
329N34.5Very low37.2Very low142 Ų142119.9 Ų119.976%0.75980%0.804SS**  trans-69.5162.6169.9-91.8-11000114.5
330S38.5Very low36.9Very low123 Ų123121.6 Ų121.686%0.8680%0.803SS**  -167.3156.7111.2-155.10000114.7
331Y33Very low36.5Very low221 Ų221129.3 Ų129.387%0.86781%0.812SS**  trans-106.6159.8-178.2-91.6-111.8000112.3
332G33.3Very low36.1Very low71 Ų71122.9 Ų122.973%0.73280%0.8SS**  trans113.9160131.300000120.3
333A37.9Very low35.8Very low100 Ų100126.5 Ų126.583%0.82681%0.807SS**  trans68123.6178.200000116.1
334Q32.6Very low35.8Very low200 Ų200129.9 Ų129.994%0.93581%0.805SS**  cis69.7124.633.1-65.7-168.5-29.100116.2
335G37.9Very low36Very low72 Ų72131 Ų13174%0.74281%0.805SS**  trans119.4134.717400000113.7
336S38.3Very low35.7Very low113 Ų113130.8 Ų130.879%0.7980%0.797SS**  cis175.8133.1-22.2-99.40000106.3
337S35.2Very low35.5Very low103 Ų103130.5 Ų130.572%0.7280%0.795SS**  trans41.6115150.160.80000122.4
338L36.3Very low35.1Very low163 Ų163136.7 Ų136.785%0.85380%0.804SS**  -176.9108.1117.2-119.867.1000107.1
339A34.5Very low34.7Very low93 Ų93132 Ų13277%0.76980%0.797SS**  57.1100.468.300000114.3
340S33.6Very low34.8Very low114 Ų114129.8 Ų129.880%0.79780%0.798SS**  -166.1138118.7-157.90000113.9
341Y31.2Very low34.5Very low230 Ų230133.5 Ų133.590%0.90280%0.802SS**  trans-20.7145.9164.4-73.2-99.1000120.3
342G32.3Very low34.7Very low66 Ų66127.4 Ų127.468%0.6880%0.798SS**  129118.9106.100000118.8
343N32.2Very low34.8Very low164 Ų164128.5 Ų128.588%0.87780%0.8SS**  trans65.5129.1146.8-72.6-7000122.3
344Q37.6Very low34.8Very low173 Ų173129.1 Ų129.181%0.80880%0.798SS**  trans-48.6155.5147.4-67.3-106.4-46.200111.7
345P41.5Very low35.2Very low121 Ų121124.5 Ų124.579%0.78679%0.787SS**  -141150.3119.434.7-21.5000115.6
346S33.6Very low35.2Very low95 Ų95132.3 Ų132.366%0.66480%0.796SS**  trans-67.8156.9163.3-50.10000112.2
347S31.8Very low35.1Very low96 Ų96130.4 Ų130.467%0.67180%0.795SS**  trans40.1115.2145.560.30000119.8
348Y31.8Very low35Very low238 Ų238131.8 Ų131.893%0.93380%0.798SS**  -174.4158.9108.5-114.7-96000110.8
349G31.5Very low34.9Very low74 Ų74135.6 Ų135.676%0.76380%0.801SS**  trans-84.1166.4-161.100000119.2
350A36.2Very low34.8Very low95 Ų95135.8 Ų135.879%0.78580%0.803SS**  trans-164.2113.4147.800000106.4
351Q32.6Very low34.8Very low202 Ų202135 Ų13594%0.94480%0.804SS**  62.985.673.3-74.5-163.2-4500116.2
352A36.5Very low34.8Very low93 Ų93128.2 Ų128.277%0.76980%0.795SS**  trans-173.7109.5139.300000107.4
353A36.7Very low34.9Very low94 Ų94130.9 Ų130.978%0.77780%0.803SS**  64.5124.888.800000112.9
354S38Very low35Very low112 Ų112128.1 Ų128.178%0.78380%0.797SS**  cis-157.2154-4.6-680000105.3
355S40.6Very low34.8Very low103 Ų103130.6 Ų130.672%0.7280%0.8SS**  177.3158.356.145.30000109.5
356Y37.5Very low34.3Very low237 Ų237132 Ų13293%0.92980%0.801SS**  trans19.4130.5162.3-67.4-92.4000121
357G36.9Very low34.3Very low73 Ų73132.8 Ų132.875%0.75380%0.802SS**  cis175.2129.61.800000111.2
358V32.8Very low34.3Very low132 Ų132137.2 Ų137.280%0.881%0.812SS**  trans-99.5138.9-171.9171.70000111.4
359R34Very low34.4Very low243 Ų243129.4 Ų129.492%0.91780%0.804SS**  -173.5127.1128.3-109.2168.4-86.3-164.2-5.2115.5
360A33.1Very low34.3Very low96 Ų96130.7 Ų130.779%0.79381%0.807SS**  trans-90.8147.7150.700000109.2
361A33Very low34.2Very low99 Ų99131 Ų13182%0.81881%0.809SS**  trans-169.7129.4150.600000112.8
362A31.6Very low34.3Very low87 Ų87126.3 Ų126.372%0.71980%0.799SS**  trans33115.9140.600000121.9
363S32.8Very low34.4Very low121 Ų121126.9 Ų126.985%0.84680%0.797SS**  38.9103.2116.6-48.40000120.4
364S35.1Very low34.4Very low107 Ų107130.7 Ų130.775%0.74880%0.804SS**  trans-164.9133.5137.738.20000114.5
365Y32.9Very low34.4Very low225 Ų225128.6 Ų128.688%0.88280%0.8SS**  trans26.7127.3152.2-62.5-80.3000123.6
366N30.7Very low34.3Very low149 Ų149128.2 Ų128.280%0.79780%0.797SS**  trans-50.9120.1156.2164.839.4000114
367T34.7Very low34.3Very low112 Ų112128.1 Ų128.169%0.68780%0.797SS**  trans-166.9129.9137.334.30000112.3
368Q31.5Very low34.5Very low190 Ų190128.5 Ų128.589%0.88880%0.801SS**  trans43.3128.1139.4-63.1170.4-41.100121.7
369G33.3Very low34.6Very low74 Ų74127 Ų12776%0.76380%0.803SS**  trans127.297.9168.900000110.9
370A29.2Very low34.9Very low101 Ų101125.2 Ų125.284%0.83580%0.804SS**  83141.365.100000113.6
371A34.1Very low34.8Very low100 Ų100125.5 Ų125.583%0.82681%0.807SS**  trans70.6144.3-178.800000116.2
372S34.8Very low35.2Very low105 Ų105125.5 Ų125.573%0.73481%0.807SS**  cis-172.3175.6-13.449.60000110.9
373S38.6Very low35.4Very low104 Ų104126.1 Ų126.173%0.72781%0.806SS**  trans78138.5165.389.40000116.1
374L36.9Very low35.5Very low175 Ų175131.5 Ų131.592%0.91681%0.809SS**  cis-142.8159.8-15.8-72.7109.5000106.6
375G38.3Very low35.6Very low67 Ų67130.1 Ų130.169%0.69181%0.812SS**  cis177160.5-6.400000110.6
376S38.5Very low35.7Very low96 Ų96124.3 Ų124.367%0.67181%0.811SS**  trans46.6136.7148.5-116.20000121.3
377Y37.7Very low36Very low234 Ų234126.1 Ų126.192%0.91881%0.814SS**  cis-151.1165.823.8-93.5-85.2000111.2
378G40.1Very low36Very low81 Ų81126.1 Ų126.184%0.83582%0.819SS**  trans131.568.5156.800000115.6
379A36.5Very low36.2Very low102 Ų102122.5 Ų122.584%0.84382%0.821SS**  trans-95.6145.9178.900000112.8
380Q39.2Very low36.4Very low204 Ų204123 Ų12395%0.95382%0.819SS**  trans-150.5119.9144.1-119.7172.9-11.500109.2
381A32.4Very low36.8Very low103 Ų103123.9 Ų123.985%0.85182%0.819SS**  trans-131.2131.3-176.300000110.1
382A40.5Very low37.2Very low99 Ų99123.8 Ų123.882%0.81881%0.812SS**  trans-166.2150.2164.400000108.8
383S35.4Very low37.4Very low99 Ų99126.6 Ų126.669%0.69282%0.818SS**  cis-166.7157.4-27.366.70000107.8
384Y35.2Very low37.3Very low234 Ų234125.9 Ų125.992%0.91882%0.818SS**  trans40.7132.3160.2-67.8-76.1000122.3
385G37.6Very low37.2Very low79 Ų79129.2 Ų129.281%0.81482%0.82SS**  trans158.766.8160.700000115.2
386A34.2Very low37.1Very low103 Ų103129.1 Ų129.185%0.85182%0.819SS**  trans-83.6132.1173.600000111.2
387Q38.1Very low36.8Very low186 Ų186129.9 Ų129.987%0.86983%0.831SS**  trans-151.3113163-119.9167.5-8.400113
388S34.6Very low36.7Very low113 Ų113128 Ų12879%0.7983%0.831SS**  trans39.3100.4147.456.90000119.5
389A34.7Very low36.3Very low113 Ų113129.3 Ų129.393%0.93483%0.833SS**  trans-108.6111.7147.300000108.8
390A38.7Very low36.3Very low86 Ų86128.6 Ų128.671%0.71183%0.828SS**  trans-141.2147.2173.300000109
391S37.3Very low36Very low119 Ų119123.7 Ų123.783%0.83282%0.816SS**  trans72.8135.4-175.4-44.50000114.9
392S42.5Very low36.1Very low98 Ų98129.1 Ų129.169%0.68582%0.816SS**  cis-174.4172-14.842.10000108.6
393L38.6Very low35.9Very low164 Ų164131.1 Ų131.186%0.85981%0.813SS**  trans74.593169.8-53.4161.1000114.2
394A36.6Very low35.8Very low88 Ų88130.9 Ų130.973%0.72782%0.817SS**  cis81.596.537.400000115.5
395Y33.8Very low35.8Very low246 Ų246127.9 Ų127.997%0.96581%0.811SS**  trans-171.5132.4144.8-104.5-78.3000104.8
396G36Very low36Very low64 Ų64129.2 Ų129.266%0.6681%0.806SS**  cis160.573.44.400000107.8Q398G396-Q398 PolarHBondContact O-N 3Å
397A33Very low36Very low112 Ų112130.8 Ų130.893%0.92681%0.81SS**  trans-76.2108.8-179.400000110.1
398Q34.8Very low36Very low195 Ų195125.5 Ų125.591%0.91180%0.798SS**  trans-95.4118.4172.8-89-177.4-48.800111.2G396G396-Q398 PolarHBondContact O-N 3Å
399A32Very low36Very low108 Ų108125.1 Ų125.189%0.89380%0.796SS**  trans-87122.4158.800000109.4
400A36.8Very low35.9Very low88 Ų88130.1 Ų130.173%0.72779%0.792SS**  trans-159.2109.5157.900000105.7
401S33Very low35.7Very low100 Ų100132.5 Ų132.570%0.69979%0.793SS**  52.999.791.1-174.50000112.4
402Y35.4Very low35.4Very low218 Ų218130.5 Ų130.586%0.85578%0.784SS**  -161.9130.3117.4-109-71000113.1
403N35.8Very low35.2Very low141 Ų141134.2 Ų134.275%0.75479%0.79SS**  trans52.5119.6155.8-111.614.9000122.1
404A33.2Very low35Very low93 Ų93131.4 Ų131.477%0.76978%0.784SS**  trans-67.5141.1149.800000111.1
405Q35.3Very low35.1Very low171 Ų171131.9 Ų131.980%0.79979%0.788SS**  trans-142.6130.4157.1-89-98-83.400107.4
406P41Very low35.4Very low108 Ų108125.3 Ų125.370%0.70178%0.776SS**  trans-74.9142.5177.431.2-33.6000110.6A408P406-A408 PolarHBondContact O-N 3.49Å
407S34Very low35.4Very low135 Ų135133.8 Ų133.894%0.94479%0.789SS**  trans-7188.9176.154.80000111.3
408A39.9Very low35.7Very low75 Ų75132.6 Ų132.662%0.6278%0.78SS**  trans-122.6137.3167.200000109.7P406P406-A408 PolarHBondContact O-N 3.49Å
409S34.3Very low35.9Very low106 Ų106127.7 Ų127.774%0.74177%0.772SS**  trans47102.1161.248.90000118.1
410Y32.5Very low36.4Very low218 Ų218130.3 Ų130.386%0.85577%0.766SS**  -177.690.4121.9-104.8-74000111.2
411N33.1Very low36.4Very low135 Ų135134.6 Ų134.672%0.72277%0.771SS**  trans-14560.6135.9-16618.1000110
412A32.5Very low36.6Very low78 Ų78134 Ų13465%0.64577%0.772SS**  trans-88.589.1155.800000106.9S414A412-S414 VanDerWaalsContact C-N 3.3Å; A412-S414 PolarHBondContact O-N 2.76Å
413Q36.7Very low36.7Very low175 Ų175127.6 Ų127.682%0.81877%0.765SS**  trans-73.794163-89.8-178.5-60.300108.5A415Q413-A415 PolarHBondContact O-N 3.29Å
414S34.6Very low36.8Very low105 Ų105125.7 Ų125.773%0.73476%0.762SS**  trans-58.2116.816534.20000111.2A412A412-S414 VanDerWaalsContact C-N 3.3Å; A412-S414 PolarHBondContact O-N 2.76Å
415A39.6Very low37Very low98 Ų98131.9 Ų131.981%0.8177%0.767SS**  -80129.4124.600000105.4Q413Q413-A415 PolarHBondContact O-N 3.29Å
416P40.5Very low37.1Very low109 Ų109127.8 Ų127.871%0.70876%0.758SS**  -144.8159.763.138.5-21.4000115.8
417Y35.2Very low37Very low242 Ų242127.3 Ų127.395%0.94976%0.757SS**  trans-156.2160.1156.4-117.1-81.9000111.1
418A38.4Very low37.2Very low87 Ų87129.9 Ų129.972%0.71975%0.754SS**  trans69.2100.8-167.100000113.2
419A40.9Very low37.4Very low92 Ų92131.5 Ų131.576%0.7676%0.758SS**  67.7137.864.800000112
420Q41.3Very low37.5Very low163 Ų163131 Ų13176%0.76276%0.76SS**  cis-164.5158.113.3-139.8173.424.400109.8
421Q37.2Very low37.7Very low177 Ų177124.7 Ų124.783%0.82775%0.753SS**  trans68.5146.9167-51.4176.543.700115.8
422A36.3Very low37.8Very low87 Ų87128.9 Ų128.972%0.71976%0.76SS**  cis-144.7159.34.900000112.7
423A38.2Very low38.1Very low85 Ų85131.9 Ų131.970%0.70277%0.77SS**  trans52.8101.3142.500000120.5
424S38.5Very low38.2Very low101 Ų101127 Ų12771%0.70676%0.76SS**  81.4124.286.415.70000117.2
425Y36Very low38.3Very low222 Ų222130.9 Ų130.987%0.87177%0.767SS**  trans61.6153.3162.1-72.1-109000117.5
426S39.4Very low38.6Very low86 Ų86131.3 Ų131.360%0.60176%0.761SS**  cis-168.4165.6-33.155.10000108.4
427S38.1Very low38.4Very low97 Ų97130.3 Ų130.368%0.67876%0.762SS**  trans52.296.8148.858.20000120.7
428Q38.5Very low38.7Very low190 Ų190126.1 Ų126.189%0.88876%0.762SS**  63.8156.2121.1-73.3-89.8-25.300121.4
429P42.9Very low38.6Very low108 Ų108126.9 Ų126.970%0.70177%0.768SS**  trans-112.9171.9-163.242.6-32.4000114.2
430A36.7Very low38.5Very low96 Ų96127.8 Ų127.879%0.79378%0.776SS**  trans174.1165.4134.200000113.3
431A37.3Very low38.2Very low85 Ų85124.5 Ų124.570%0.70278%0.776SS**  trans81.2115.7148.100000120.8
432Y34.2Very low38.3Very low223 Ų223127 Ų12788%0.87578%0.78SS**  42.8125.3124.8-85-97.2000120.3
433V39.5Very low38.5Very low141 Ų141127.1 Ų127.186%0.85578%0.781SS**  -174.9159.695.2155.50000108.4
434A37.9Very low38.4Very low73 Ų73128.1 Ų128.160%0.60378%0.782SS**  trans-105.6161-169.500000114.7
435Q37Very low38.6Very low186 Ų186131.3 Ų131.387%0.86979%0.786SS**  trans66167.5148.6-78.6-179.9-28.100119
436P46.1Very low38.8Very low108 Ų108126.9 Ų126.970%0.70179%0.785SS**  cis-137.1175.8-41.338.1-22.8000113.9
437A37.8Very low39.1Very low87 Ų87127.4 Ų127.472%0.71980%0.795SS**  trans50.5131.414700000122
438T41.2Very low39Very low154 Ų154127.3 Ų127.395%0.94580%0.799SS**  -170.7153.7120.317.70000110.8
439A34.8Very low39.1Very low104 Ų104129.8 Ų129.886%0.8680%0.802SS**  trans-101.1150.7179.500000111.5
440A40.2Very low38.9Very low110 Ų110129.2 Ų129.291%0.90981%0.807SS**  trans-149.2130.7162.200000110
441A35Very low39.1Very low94 Ų94129.7 Ų129.778%0.77781%0.811SS**  trans-121.2135.3177.500000110.2
442Y39Very low39Very low230 Ų230134.9 Ų134.990%0.90282%0.82SS**  trans-151.2118.2160.6-94.4-84000105.5
443A39.3Very low39.3Very low89 Ų89128.3 Ų128.374%0.73681%0.812SS**  64.5139.795.600000113.6
444S37.3Very low39.4Very low106 Ų106127.7 Ų127.774%0.74181%0.809SS**  cis-170.3-179.3-9.951.30000107.3
445Q41.6Very low39.8Very low168 Ų168130.6 Ų130.679%0.78582%0.819SS**  trans118.3118.5167.7-66.1-89.3-700115.6
446P41.7Very low40.2Very low129 Ų129127.1 Ų127.184%0.83881%0.813SS**  trans-125.7134.8139.535-24.6000111.3
447A44Very low39.8Very low98 Ų98130.9 Ų130.981%0.8182%0.824SS**  trans-100.1128.8179.200000111.8
448A36.7Very low39.9Very low94 Ų94130.9 Ų130.978%0.77782%0.824SS**  trans-100.8151.1172.500000110.9
449Y41.3Very low39.8Very low242 Ų242127.3 Ų127.395%0.94982%0.817SS**  trans-135.5139.4161.4-109.9-89.4000109.6
450A38.2Very low40Very low97 Ų97127.5 Ų127.580%0.80281%0.812SS**  trans-107.2156.4-165.400000113.4
451A40.4Very low39.8Very low105 Ų105133.2 Ų133.287%0.86881%0.812SS**  trans-152.3143.915400000109.6
452Q36.7Very low40Very low194 Ų194132.3 Ų132.391%0.90781%0.812SS**  trans-105.9151.9-165.3-59.1159.3-6900113.5
453A39.7Very low40Very low86 Ų86125.6 Ų125.671%0.71180%0.803SS**  177.8111.2128.100000109.8
454T42Very low39.9Very low127 Ų127129.5 Ų129.578%0.77981%0.806SS**  46.7126.699.36.10000114.4
455T45.1Very low40.3Very low134 Ų134129.7 Ų129.782%0.82281%0.806SS**  cis-160.8162.243.6-3.20000112.1
456P45.8Very low39.9Very low114 Ų114127.5 Ų127.574%0.7480%0.803SS**  trans-119.2179.8-171.543.2-32.2000116.5
457M37.1Very low39.6Very low187 Ų187127.9 Ų127.992%0.92180%0.803SS**  trans127.2149.2165.8-73.9-89.6-149.500112.1
458A39.8Very low39.1Very low87 Ų87131.2 Ų131.272%0.71980%0.802SS**  cis-171.4157.7-22.700000111
459G39.7Very low39.1Very low79 Ų79132.5 Ų132.581%0.81480%0.8SS**  trans83.8152.2168.100000116.7
460S39Very low38.8Very low107 Ų107128.6 Ų128.675%0.74879%0.79SS**  cis-160.6133.91.1-165.80000113.5
461Y36.3Very low38.7Very low231 Ų231130.4 Ų130.491%0.90679%0.786SS**  trans35139.9145.7-75.5-95.4000125.9
462G40.2Very low38.5Very low75 Ų75132 Ų13277%0.77378%0.78SS**  trans120.4106.3152.600000115.3
463A38.7Very low38.5Very low88 Ų88126.4 Ų126.473%0.72776%0.762SS**  cis120.998.43.800000114
464Q37.3Very low38.4Very low171 Ų171133.3 Ų133.380%0.79977%0.772SS**  trans68.2165.2151-59.7-66-11.800119
465P45.9Very low38.4Very low111 Ų111130.6 Ų130.672%0.72177%0.768SS**  cis-125.6169.3-1.738.7-22.6000117
466V32.5Very low37.9Very low121 Ų121128.8 Ų128.873%0.73377%0.767SS**  trans-76.8140.4164165.20000111.2
467V36.1Very low37.4Very low138 Ų138132.4 Ų132.484%0.83677%0.774SS**  trans-134.7146.9153.6-177.10000109.7
468Q32.6Very low37.3Very low167 Ų167128.3 Ų128.378%0.7877%0.77SS**  trans-110.2-169.4-161.5-168.1172.50.100110.5
469T36.4Very low37Very low121 Ų121128.8 Ų128.874%0.74277%0.768SS**  trans85.3130.8158.5-36.80000113.7
470Q34.8Very low36.8Very low160 Ų160133.8 Ų133.875%0.74877%0.772SS**  cis-173.9179.8-6.1-115.6-8016.200109.7
471L36.1Very low36.6Very low135 Ų135131.5 Ų131.571%0.70777%0.766SS**  trans88.1123.2148-73.8146.5000122.6
472N37Very low36.8Very low138 Ų138128.5 Ų128.574%0.73877%0.765SS**  trans89.2134.4146.9-64.4-4.4000121
473S36.2Very low36.7Very low77 Ų77130.2 Ų130.254%0.53877%0.765SS.*  cis157.1164.5-31.552.80000109.2
474Y37.3Very low36.6Very low232 Ų232129.9 Ų129.991%0.9177%0.77SS**  trans71.9138.6-177.3-54.8-84.2000115.6
475G41.5Very low36.7Very low69 Ų69127.7 Ų127.771%0.71177%0.774SS**  cis172.9116.9-7.400000107.6
476A35.8Very low35.9Very low96 Ų96133.9 Ų133.979%0.79378%0.784SS**  74.4110.187.200000116.9
477Q34.5Very low36.3Very low191 Ų191131.6 Ų131.689%0.89379%0.785SS**  trans82.4138.9147-65.1-175-45.300124
478A35.2Very low36.5Very low101 Ų101129.8 Ų129.884%0.83579%0.785SS**  trans69150.8149.900000119
479S33.9Very low36.5Very low97 Ų97130.7 Ų130.768%0.67879%0.789SS**  cis-169.5175.6-14.8-179.20000108.5
480M35Very low36.4Very low183 Ų183131 Ų13190%0.90180%0.796SS**  trans69.5145.4175.4-42.3-67.9-175.600114.7
481G35.6Very low36.3Very low60 Ų60128.1 Ų128.162%0.61980%0.8SS**  cis151.3159.42.600000109.8
482L39.7Very low36.3Very low168 Ų168126.4 Ų126.488%0.8881%0.805SS**  trans79.7110.2-177.5-48.3164.4000114.2
483S38Very low36Very low110 Ų110124.7 Ų124.777%0.76981%0.81SS**  56126.15882.40000113.3
484G36.5Very low36.1Very low81 Ų81125.1 Ų125.184%0.83582%0.818SS**  cis138.7135.77.800000109.2
485S40.1Very low36Very low126 Ų126120.7 Ų120.788%0.88182%0.815SS**  trans-165.7133.4167.8-1730000112.5
486Y29.2Very low35.7Very low241 Ų241121.2 Ų121.295%0.94582%0.821SS**  trans-121.6141.1172.5-122.6-95.3000107.3
487G40.7Very low35.7Very low73 Ų73122.4 Ų122.475%0.75382%0.823SS**  trans158.2149.9172.300000112.3
488A39.5Very low35.6Very low99 Ų99124.4 Ų124.482%0.81882%0.824SS**  cis-153.6171.6-6.900000110
489Q32.9Very low35.7Very low187 Ų187123.1 Ų123.187%0.87482%0.82SS**  trans-71.3155.6-176.2-58.3128-69.900113.5
490S36.1Very low35.8Very low126 Ų126123.4 Ų123.488%0.88183%0.828SS**  -158.9136.8125.241.90000110.9
491A31.8Very low35.8Very low101 Ų101119.4 Ų119.484%0.83583%0.825SS**  trans-132.5133.4175.500000109.1
492A35.8Very low35.8Very low98 Ų98121.5 Ų121.581%0.8184%0.836SS**  trans-153.7118.3164.600000105.6
493A31.1Very low35.7Very low103 Ų103118.4 Ų118.485%0.85184%0.835SS**  cis748029.200000114.4
494A37.6Very low35.5Very low85 Ų85125 Ų12570%0.70285%0.845SS**  trans-164.2113.6149.900000107.3
495T36.2Very low35.5Very low140 Ų140124.6 Ų124.686%0.85984%0.841SS**  38.5115.39058.70000112.7
496G34.2Very low35.4Very low80 Ų80123.5 Ų123.583%0.82584%0.839SS**  cis115.7119.919.100000109.7
497S35.9Very low35.7Very low120 Ų120120.7 Ų120.784%0.83984%0.835SS**  trans-165.8147.5161.2-164.70000111.7
498Y32.6Very low35.7Very low234 Ų234123 Ų12392%0.91884%0.836SS**  trans-94.2159.5168.8-72.3-103.6000110
499G38Very low35.6Very low73 Ų73123.7 Ų123.775%0.75384%0.835SS**  trans133.389.6177.400000110.7
500A35.9Very low36.1Very low103 Ų103120 Ų12085%0.85184%0.836SS**  82.9137.666.500000114.2
501A35.5Very low36.1Very low99 Ų99120.3 Ų120.382%0.81883%0.833SS**  trans74.798.5167.700000120.1
502A34Very low36.6Very low105 Ų105123.9 Ų123.987%0.86884%0.837SS**  52.8114.6125.600000121.9
503A37.8Very low36.7Very low103 Ų103123.8 Ų123.885%0.85184%0.837SS**  -160.1152.412400000111.8
504Y33.3Very low37.2Very low248 Ų248123 Ų12397%0.97383%0.831SS**  trans-61.4145.4177-85.1-116.4000113.6
505G36.9Very low37.5Very low73 Ų73124.8 Ų124.875%0.75384%0.835SS**  trans155.9114.5154.600000117.7
506A38.8Very low37.4Very low102 Ų102129.5 Ų129.584%0.84384%0.838SS**  trans46.7123.9148.800000121.9
507Q35.4Very low37.6Very low183 Ų183137.1 Ų137.186%0.85584%0.842SS**  trans-67.1147.9159.6-67.3-96.1-68.900112.1
508P41.1Very low37.7Very low121 Ų121137.6 Ų137.679%0.78684%0.84SS**  trans-123.7128.9145.734.1-23.5000112.2
509S37.6Very low38.1Very low113 Ų113135.8 Ų135.879%0.7984%0.84SS**PPolyproline II helixtrans-70135.2172.8-56.20000111.4
510A42.8Very low38Very low109 Ų109137.7 Ų137.790%0.90184%0.842SS**PPolyproline II helixtrans-85.3128.5173.600000111.7
511T36.8Very low38Very low134 Ų134138.6 Ų138.682%0.82284%0.842SS**PPolyproline II helixtrans-97.2136.4177.6-46.60000110.3
512L40.6Very low38.2Very low175 Ų175138 Ų13892%0.91684%0.838SS**  trans-139.5132.3163.2-100.6163.5000110.4
513A39.2Very low38.3Very low96 Ų96138.7 Ų138.779%0.79384%0.836SS**  trans-86.3-178.9-17600000111.2
514A41.1Very low38.5Very low88 Ų88142 Ų14273%0.72784%0.838SS**  cis-161.4-159.612.200000108.4
515P44.6Very low38.6Very low122 Ų122134.5 Ų134.579%0.79283%0.828SS**  -117.9159.1-53.233.4-19.6000112.4
516Y34Very low38.6Very low238 Ų238136 Ų13693%0.93383%0.833SS**PPolyproline II helixtrans-88.1136.3170.5-104.9-100.6000111.9
517R36.7Very low38.6Very low240 Ų240136.4 Ų136.491%0.90683%0.829SS**PPolyproline II helixtrans-85.4122.1172.6-170.7176.1-172.5168.62.3110
518T38.3Very low38.3Very low130 Ų130139.4 Ų139.480%0.79884%0.835SS**PPolyproline II helixtrans-77141.3173.440.50000111.2
519Q41.9Very low38.3Very low196 Ų196138.6 Ų138.692%0.91684%0.838SS**  trans-114.8135.4155.2-92.5-167.7-11.900109.1
520S36.3Very low38.1Very low113 Ų113137.6 Ų137.679%0.7984%0.837SS**  trans-84.5121.9-167.3470000112.8A522S520-A522 PolarHBondContact O-N 2.91Å
521S34.5Very low38Very low123 Ų123141.5 Ų141.586%0.8684%0.836SS**  trans-80.594.2158.553.90000109.5
522A41.1Very low38Very low87 Ų87143 Ų14372%0.71983%0.834SS**  trans-90.3105173.100000110.1S520S520-A522 PolarHBondContact O-N 2.91Å
523S36Very low38Very low119 Ų119141.7 Ų141.783%0.83282%0.823SS**  trans-73.2126.5168.148.90000110.6
524L41.9Very low38.4Very low172 Ų172142.2 Ų142.290%0.90182%0.818SS**  trans-128.4124.4165.7-98.5160.4000109.2
525A34.3Very low38.4Very low91 Ų91146.5 Ų146.575%0.75282%0.823SS**  trans-112.8165.1177.100000109.8
526A36.7Very low38.2Very low104 Ų104145.5 Ų145.586%0.8683%0.826SS**  trans67.8149.4-173.100000113.8
527S39.6Very low38.4Very low110 Ų110138.7 Ų138.777%0.76982%0.819SS**  cis-147151.513.245.20000112.5
528Y30.2Very low38.7Very low247 Ų247131.9 Ų131.997%0.96981%0.813SS**  trans-77.2130.4164.3-95.2-104.3000110.1
529A39.8Very low38.8Very low104 Ų104130.2 Ų130.286%0.8681%0.807SS**  trans-157.8150.8159.300000110.3
530A32.9Very low38.7Very low92 Ų92130.1 Ų130.176%0.7680%0.8SS**  trans-118.2155.5-170.600000113.3
531Q42Very low38.8Very low190 Ų190135.8 Ų135.889%0.88880%0.804SS**  trans166108.4157.1-93.4155.721.600106.9
532Q37.4Very low39.1Very low166 Ų166133.3 Ų133.378%0.77680%0.798SS**  88.4114.857.3-75.5-132.2-12.300116.8
533H40.6Very low39.3Very low148 Ų148138.3 Ų138.369%0.68581%0.806SS**  trans72.5161.4150.7-81.8-56.5000121.8
534P46.6Very low39.9Very low107 Ų107138.2 Ų138.270%0.69580%0.803SS**  cis-134.5155.6-4.722.52.1000119.5
535Q41.1Very low39.9Very low177 Ų177133.1 Ų133.183%0.82779%0.792SS**  trans51.2123.3134.5-60.8176.4-11.600124.2
536A39.6Very low40.4Very low102 Ų102137.1 Ų137.184%0.84380%0.8SS**  178.7156.5109.400000111
537A39.5Very low40.5Very low95 Ų95136.6 Ų136.679%0.78580%0.796SS**  cis-164.3162.1-39.700000109.5
538A43Very low40.5Very low96 Ų96142 Ų14279%0.79380%0.801SS**  trans72.8141.6165.500000120.9
539S40.8Very low41Very low95 Ų95137.6 Ų137.666%0.66479%0.794SS**  cis-172.8169.2-42.538.30000112.2
540Y39.5Very low41.1Very low195 Ų195135.3 Ų135.377%0.76578%0.781SS**  trans84.1110.9173-67.4-93.6000117.2
541R38.5Very low41.6Very low232 Ų232136.5 Ų136.588%0.87579%0.791SS**  cis10113146.1177.9-176-165.3174.55.7109.4
542G40.6Very low41.5Very low71 Ų71131.3 Ų131.373%0.73279%0.789SS**  cis-177-179-3.700000107
543Q44Very low41.7Very low192 Ų192132.4 Ų132.490%0.89779%0.794SS**  cis-157.41751.1-101.6-117.55.200108.7
544P49.1Very low42.1Very low117 Ų117130.3 Ų130.376%0.7679%0.793SS**  trans-125.3-177.7-158.943.2-30.3000116.8
545G41.5Very low41.8Very low65 Ų65131.1 Ų131.167%0.6780%0.802SS**  trans137.2112.8144.500000118.9
546N44.8Very low41.6Very low175 Ų175127.6 Ų127.694%0.93680%0.803SS**  -178.3150.5116.5-94.8-2.6000111.9
547A39.6Very low41.6Very low93 Ų93127 Ų12777%0.76980%0.798SS**  trans-142.6179.2-169.400000112.5
548Y40.4Very low41.4Very low223 Ų223132.4 Ų132.488%0.87580%0.799SS**  trans121.2112.9176.5-88.4-94.5000110.3
549D40.8Very low41.1Very low154 Ų154135 Ų13582%0.82480%0.799SS**  69.8127.752.2-153.8-75.5000112.1
550G41.4Very low41.1Very low57 Ų57136.1 Ų136.159%0.58881%0.807SS**  cis177.6-179.60.200000112.5
551A43.2Very low41Very low116 Ų116135.1 Ų135.196%0.95981%0.811SS**  trans65.4146.916500000121.9
552G39.6Very low41.2Very low82 Ų82130 Ų13085%0.84581%0.811SS**  trans130.970.2153.400000119.9
553Q41Very low40.9Very low189 Ų189136.1 Ų136.188%0.88382%0.82SS**  trans-89.8178.4151-96.8-150.7-2.300109.8
554P49.1Very low40.6Very low104 Ų104130.7 Ų130.768%0.67582%0.816SS**  cis-132.1-175.6-3.435.9-16.4000113.8
555S40.4Very low40Very low124 Ų124129.9 Ų129.987%0.86782%0.819SS**  158.1153.5123.356.20000113
556A38.1Very low40.1Very low103 Ų103133.7 Ų133.785%0.85183%0.829SS**  trans-125.4145.1-179.100000110.6
557A39.4Very low39.7Very low90 Ų90130.1 Ų130.174%0.74482%0.824SS**  trans-166.3134156.700000113
558Y33.6Very low39.6Very low208 Ų208133.5 Ų133.582%0.81683%0.829SS**  trans54.2111.8139.4-76.1-108.1000119.7
559L38.5Very low39.3Very low150 Ų150126.9 Ų126.979%0.78582%0.821SS**  70.7103.581.7-85.9162.4000115
560S40.8Very low39.2Very low118 Ų118127.3 Ų127.383%0.82582%0.823SS**  -168.6147.1127.1-171.10000111.5
561M36.8Very low38.9Very low175 Ų175130 Ų13086%0.86283%0.833SS**  trans-69.3148.9163.2-61.2170.6171.400110.5
562S42.1Very low38.9Very low123 Ų123130.8 Ų130.886%0.8683%0.826SS**  167.2167.6115.959.60000112.1
563Q34.3Very low39.2Very low201 Ų201132.4 Ų132.494%0.93982%0.821SS**  trans-70.4146.5-170.6-59.9161.31000113.1
564G37.4Very low39.2Very low78 Ų78128.9 Ų128.980%0.80482%0.815SS**  trans166.897.7171.400000112
565A36.3Very low39Very low99 Ų99129 Ų12982%0.81882%0.815SS**  trans-83.7136.4-178.700000112
566V43.8Very low38.9Very low145 Ų145134.1 Ų134.188%0.87982%0.817SS**  trans-159.5132.5141.7-98.80000111.7
567A37.6Very low38.7Very low101 Ų101137.8 Ų137.884%0.83582%0.817SS**  trans41.8106.4150.400000120.8
568N37.3Very low38.8Very low164 Ų164144.8 Ų144.888%0.87782%0.824SS**  -141.8141.5119.6-161.8-2.6000110.5
569A34.2Very low39.2Very low84 Ų84140.1 Ų140.169%0.69482%0.817SS**  trans-92.1110-174.200000111.6
570N38Very low39.2Very low163 Ų163143.6 Ų143.687%0.87282%0.82SS**  trans-157.8128.6134.6-108.2-31.4000109.3
571S36.1Very low39.4Very low114 Ų114145.6 Ų145.680%0.79782%0.821SS**  trans-87.6131.3-150.543.30000115.1
572T43.2Very low39.9Very low132 Ų132142.7 Ų142.781%0.8182%0.817SS**  trans-151132.7153.8-33.30000108.7
573P45.6Very low40.8Very low115 Ų115142.8 Ų142.875%0.74782%0.815SS**  trans-124.9136.1156.634.6-23.6000112
574P40.2Very low41.6Very low116 Ų116139.2 Ų139.275%0.75381%0.81SS**  trans-100.4-157.7174.445.5-38.3000109.9
575P46Very low42Very low106 Ų106147.2 Ų147.269%0.68882%0.815SS**  -117144-114.832.8-13.8000114.9
576Y36.7Very low42.5Very low231 Ų231147.3 Ų147.391%0.90682%0.816SS**  trans-141.8152.3167.1-85.4-77.1000114.2
577E34.6Very low42.6Very low180 Ų180146 Ų14684%0.84181%0.814SS**  trans-71.7144.5-172.4-53.2170.8114.100113.5
578R41.7Very low43.1Very low237 Ų237151.5 Ų151.589%0.89481%0.814SS**  trans-168.3113.4137.6-107.3163.8-171.5-133.21.5113.5
579T42.6Very low43.9Very low110 Ų110148.9 Ų148.968%0.67580%0.8SS**  trans64.696.4133.1-44.90000120.4
580R37Very low44.9Very low223 Ų223148.4 Ų148.484%0.84279%0.786SS**  trans76.3140141.8-64.4176.5-177.5-94.8-0.6120.2
581L46.5Very low46.1Very low161 Ų161144.8 Ų144.884%0.84377%0.771SS**  trans71.774.5156.9-64.9147.9000118.3
582S46.7Very low46.7Very low113 Ų113148.3 Ų148.379%0.7977%0.769SS**  170.7134.3122.4-76.90000111.4
583P61.9Low47.5Very low125 Ų125149.4 Ų149.481%0.81276%0.762SS**PPolyproline II helixtrans-75.1133179.228.7-32000112.1
584P50.6Low47.9Very low127 Ų127149.4 Ų149.483%0.82575%0.751SS**PPolyproline II helixtrans-72.6148.8178.829.4-33.9000112.2
585R44.3Very low48.7Very low245 Ų245146.3 Ų146.393%0.92574%0.735SS**PPolyproline II helixtrans-59.4136.3-171.1-61.9169.386125.6-2.9112.1S587R585-S587 PolarHBondContact O-N 2.82Å
586A47.2Very low49.5Very low101 Ų101144.8 Ų144.884%0.83572%0.723SS**PPolyproline II helixtrans-57.9125.2168.500000110.4
587S47.4Very low50.6Low119 Ų119136.1 Ų136.183%0.83270%0.699SS**PPolyproline II helixtrans-68.3144.9173.3-164.60000110.4R585 D589R585-S587 PolarHBondContact O-N 2.82Å; S587-D589 PolarHBondContact O-N 2.71Å; S587-D589 VanDerWaalsContact O-N 3.1Å
588Y46.8Very low51.5Low216 Ų216132.9 Ų132.985%0.84769%0.685SS**  trans-67.8103.9-164.3-148.1-105000111.7D590Y588-D590 PolarHBondContact O-N 3.02Å; Y588-D590 VanDerWaalsContact O-N 3.15Å
589D53.7Low52.3Low108 Ų108125.8 Ų125.858%0.57867%0.672SS**  trans-78.696.1177.9-165.2-3.9000109.2S587 P591 K594S587-D589 PolarHBondContact O-N 2.71Å; S587-D589 VanDerWaalsContact O-N 3.1Å; D589-P591 WeakPolarHBondContact O-CD 3.42Å; D589-K594 IonicContact OD2-NZ 4Å; D589-K594 PolarHBondContact OD2-NZ 2.85Å
590D56.3Low53.1Low74 Ų74128.7 Ų128.740%0.39668%0.675SS.*  trans-57.9111.9-171-176.20.9000112.2Y588 Y592 K593Y588-D590 PolarHBondContact O-N 3.02Å; Y588-D590 VanDerWaalsContact O-N 3.15Å; D590-Y592 PolarHBondContact O-N 3.32Å; D590-K593 PolarHBondContact O-N 3.08Å
591P61.9Low53.8Low87 Ų87127.8 Ų127.857%0.56567%0.672SS**Hα-helixtrans-61.8-24.4-169.223-33.3000113.2D589 K594 A595D589-P591 WeakPolarHBondContact O-CD 3.42Å; P591-K594 PolarHBondContact O-N 2.95Å; P591-A595 WeakPolarHBondContact O-CB 3.35Å; P591-A595 PolarHBondContact O-N 2.7Å
592Y48.8Very low53.8Low189 Ų189128.2 Ų128.274%0.74166%0.664SS**Hα-helixtrans-67.4-37.5176.2-107.2-91.8000113.2D590 A595 V596D590-Y592 PolarHBondContact O-N 3.32Å; Y592-A595 PolarHBondContact O-N 2.61Å; Y592-V596 WeakPolarHBondContact O-CG2 3.47Å; Y592-V596 PolarHBondContact O-N 3.41Å; Y592-V596 VanDerWaalsContact O-N 3.13Å
593K60.4Low53.8Low155 Ų155125.5 Ų125.567%0.67465%0.653SS**Hα-helixtrans-69.2-37.2176.9-80.2177178.4166.80111.6D590 A597D590-K593 PolarHBondContact O-N 3.08Å; K593-A597 WeakPolarHBondContact O-CB 3.48Å; K593-A597 PolarHBondContact O-N 2.95Å
594K55.3Low53.1Low115 Ų115124.1 Ų124.150%0.565%0.646SS.*Hα-helixtrans-67.6-40.3176.8-141.8162-168.6157.20111.6D589 P591 A597 M598D589-K594 IonicContact OD2-NZ 4Å; D589-K594 PolarHBondContact OD2-NZ 2.85Å; P591-K594 PolarHBondContact O-N 2.95Å; K594-A597 PolarHBondContact O-N 3.42Å; K594-M598 WeakPolarHBondContact O-CB 3.34Å; K594-M598 WeakPolarHBondContact O-CG 3.39Å; K594-M598 PolarHBondContact O-N 3.14Å
595A56.4Low52.8Low51 Ų51122.2 Ų122.242%0.42163%0.629SS.*Hα-helixtrans-62.3-45.4174.400000112.8P591 Y592 A597 M598 S599P591-A595 WeakPolarHBondContact O-CB 3.35Å; P591-A595 PolarHBondContact O-N 2.7Å; Y592-A595 PolarHBondContact O-N 2.61Å; A595-A597 PolarHBondContact O-N 3.01Å; A595-M598 PolarHBondContact O-N 3.44Å; A595-S599 WeakPolarHBondContact O-CB 3.47Å; A595-S599 PolarHBondContact O-N 3.28Å; A595-S599 PolarHBondContact O-OG 3.41Å
596V62.6Low53Low74 Ų74121.6 Ų121.645%0.44863%0.627SS.*Hα-helixtrans-67.6-35.8176.7175.60000111.7Y592 K600Y592-V596 WeakPolarHBondContact O-CG2 3.47Å; Y592-V596 PolarHBondContact O-N 3.41Å; Y592-V596 VanDerWaalsContact O-N 3.13Å; V596-K600 HydrophobicContact CG1-CD 4.27Å; V596-K600 WeakPolarHBondContact O-CB 3.47Å; V596-K600 WeakPolarHBondContact O-CG 3.47Å; V596-K600 PolarHBondContact O-N 2.94Å
597A59Low52.8Low48 Ų48127.2 Ų127.240%0.39763%0.626SS.*Hα-helixtrans-68.6-34.7174.400000112.9K593 K594 A595 R601K593-A597 WeakPolarHBondContact O-CB 3.48Å; K593-A597 PolarHBondContact O-N 2.95Å; K594-A597 PolarHBondContact O-N 3.42Å; A595-A597 PolarHBondContact O-N 3.01Å; A597-R601 WeakPolarHBondContact O-CG 3.41Å; A597-R601 PolarHBondContact O-N 3.2Å
598M53.5Low52.7Low113 Ų113126.5 Ų126.556%0.55761%0.613SS**Hα-helixtrans-70.8-46.6172.6-76.1175.5113.400111.5K594 A595 K600 R601 Y602K594-M598 WeakPolarHBondContact O-CB 3.34Å; K594-M598 WeakPolarHBondContact O-CG 3.39Å; K594-M598 PolarHBondContact O-N 3.14Å; A595-M598 PolarHBondContact O-N 3.44Å; M598-K600 PolarHBondContact O-N 2.85Å; M598-R601 PolarHBondContact O-N 3.11Å; M598-Y602 WeakPolarHBondContact O-CD2 3.33Å; M598-Y602 PolarHBondContact O-N 2.87Å
599S59.8Low52.7Low87 Ų87119.2 Ų119.261%0.60860%0.597SS**Hα-helixtrans-59.3-29.4175.3-730000113.2A595 G603A595-S599 WeakPolarHBondContact O-CB 3.47Å; A595-S599 PolarHBondContact O-N 3.28Å; A595-S599 PolarHBondContact O-OG 3.41Å; S599-G603 WeakPolarHBondContact O-CA 3.47Å; S599-G603 PolarHBondContact O-N 3.32Å
600K57.8Low52.2Low172 Ų172121.9 Ų121.975%0.74861%0.606SS**Hα-helixtrans-80.4-17.7173.4-72.7179.5-178.9-177.40114.5V596 M598V596-K600 HydrophobicContact CG1-CD 4.27Å; V596-K600 WeakPolarHBondContact O-CB 3.47Å; V596-K600 WeakPolarHBondContact O-CG 3.47Å; V596-K600 PolarHBondContact O-N 2.94Å; M598-K600 PolarHBondContact O-N 2.85Å
601R52.4Low51.9Low204 Ų204123.4 Ų123.477%0.7761%0.614SS**Hα-helixtrans-90.5-24.8172.7-70.7-174.2-162.7-123.67.6113.6A597 M598A597-R601 WeakPolarHBondContact O-CG 3.41Å; A597-R601 PolarHBondContact O-N 3.2Å; M598-R601 PolarHBondContact O-N 3.11Å
602Y47.2Very low51.2Low170 Ų170123 Ų12367%0.66761%0.613SS**Hα-helixtrans-102.1-1174.5-67.3-72.8000113.8M598 S604 D605M598-Y602 WeakPolarHBondContact O-CD2 3.33Å; M598-Y602 PolarHBondContact O-N 2.87Å; Y602-S604 PolarHBondContact O-N 3.06Å; Y602-D605 PolarHBondContact O-N 2.88Å
603G46.7Very low51.1Low55 Ų55119.6 Ų119.657%0.56761%0.608SS**THydrogen-bonded Turntrans-70-8.5-17900000115.7S599S599-G603 WeakPolarHBondContact O-CA 3.47Å; S599-G603 PolarHBondContact O-N 3.32Å
604S47.1Very low50.1Low96 Ų96120.9 Ų120.967%0.67161%0.61SS**THydrogen-bonded Turntrans-88.6-16.1177.4430000114.6Y602 R606Y602-S604 PolarHBondContact O-N 3.06Å; S604-R606 PolarHBondContact O-N 3.35Å
605D44.8Very low50.1Low88 Ų88125.9 Ų125.947%0.47163%0.625SS.*G310 helixtrans-86.90.4-172.9-79.5-79.8000114.8Y602 R607 L608Y602-D605 PolarHBondContact O-N 2.88Å; D605-R607 PolarHBondContact O-N 3.5Å; D605-L608 PolarHBondContact O-N 3.29Å
606R47.2Very low49.7Very low231 Ų231133.7 Ų133.787%0.87264%0.644SS**G310 helixtrans-66.90.6175.7-161.7172.5-88.2-170.6-6113.8S604S604-R606 PolarHBondContact O-N 3.35Å
607R43.8Very low49Very low219 Ų219136.1 Ų136.183%0.82665%0.654SS**G310 helixtrans-94.40166.8-99.5-169.4177.3-167.2-1.3115.6D605D605-R607 PolarHBondContact O-N 3.5Å
608L46Very low48.8Very low104 Ų104138.9 Ų138.955%0.54567%0.67SS.*SBendtrans-98.4-5.1171.3-82.1104.3000114.3D605 L611D605-L608 PolarHBondContact O-N 3.29Å; L608-L611 HydrophobicContact CG-CD1 4.39Å; L608-L611 PolarHBondContact O-N 3.32Å
609A46.3Very low48.5Very low63 Ų63141.7 Ų141.752%0.52168%0.682SS.*G310 helixtrans-65.7-40.8174.500000112.4L611 S612A609-L611 PolarHBondContact O-N 2.81Å; A609-L611 VanDerWaalsContact O-N 3.15Å; A609-S612 WeakPolarHBondContact O-CB 3.46Å; A609-S612 PolarHBondContact O-N 3.3Å; A609-S612 VanDerWaalsContact O-N 3.12Å; A609-S612 PolarHBondContact O-OG 3.15Å
610E43.1Very low47.7Very low164 Ų164142.2 Ų142.277%0.76669%0.686SS**G310 helixtrans-71.5-0.4176.3-66.2-174.1159.600114
611L50.4Low47.1Very low106 Ų106141.7 Ų141.756%0.55569%0.686SS**G310 helixtrans-97.63.9171.1-79.4157.8000112.8L608 A609 Y614L608-L611 HydrophobicContact CG-CD1 4.39Å; L608-L611 PolarHBondContact O-N 3.32Å; A609-L611 PolarHBondContact O-N 2.81Å; A609-L611 VanDerWaalsContact O-N 3.15Å; L611-Y614 HydrophobicContact CD2-CD2 4.3Å
612S47.5Very low46.7Very low78 Ų78139.3 Ų139.355%0.54569%0.688SS.*SBendtrans-78-22.7179.8-54.60000113.8A609 Y614 R615A609-S612 WeakPolarHBondContact O-CB 3.46Å; A609-S612 PolarHBondContact O-N 3.3Å; A609-S612 VanDerWaalsContact O-N 3.12Å; A609-S612 PolarHBondContact O-OG 3.15Å; S612-Y614 PolarHBondContact O-N 2.93Å; S612-R615 PolarHBondContact O-N 3.5Å
613D46.3Very low46.5Very low118 Ų118136 Ų13663%0.63169%0.69SS**G310 helixtrans-67.8-22.5-178.5-66.7-34.3000113.1R615 R616D613-R615 PolarHBondContact O-N 3.39Å; D613-R616 PolarHBondContact O-N 3.12Å
614Y39.7Very low46.3Very low182 Ų182142.7 Ų142.771%0.71470%0.703SS**G310 helixtrans-66.7-5.6177.4-80.9-80.3000114.9L611 S612 L617L611-Y614 HydrophobicContact CD2-CD2 4.3Å; S612-Y614 PolarHBondContact O-N 2.93Å; Y614-L617 HydrophobicContact CD1-CD1 4.4Å
615R54Low45.9Very low220 Ų220149.5 Ų149.583%0.8371%0.714SS**G310 helixtrans-101.5-0.8175.6-142.6-174.4-64.2167.81.7115S612 D613S612-R615 PolarHBondContact O-N 3.5Å; D613-R615 PolarHBondContact O-N 3.39Å
616R49.2Very low45.6Very low215 Ų215157.4 Ų157.481%0.81174%0.737SS**SBendtrans-100.8-0.7174.3-83.1-174.6167.7177.2-3.4114.7D613 S618D613-R616 PolarHBondContact O-N 3.12Å; R616-S618 VanDerWaalsContact C-N 3.35Å; R616-S618 PolarHBondContact O-N 3.36Å
617L47.9Very low45.2Very low126 Ų126151.5 Ų151.566%0.6673%0.731SS**THydrogen-bonded Turntrans-84.5-0.2-177.8-79.6153.6000114.6Y614Y614-L617 HydrophobicContact CD1-CD1 4.4Å
618S54.3Low45.2Very low106 Ų106147.4 Ų147.474%0.74173%0.733SS**THydrogen-bonded Turntrans-90.3-9.6179.9520000115.3R616R616-S618 VanDerWaalsContact C-N 3.35Å; R616-S618 PolarHBondContact O-N 3.36Å
619E47.4Very low45.1Very low172 Ų172148.6 Ų148.680%0.80475%0.745SS**SBendtrans-114.70.8-176.3-67.1-178.5131.500113.7Q621E619-Q621 PolarHBondContact O-N 2.81Å
620S43.2Very low44.9Very low98 Ų98155.7 Ų155.769%0.68576%0.764SS**  trans-81.770.2172-167.70000111.1
621Q44.6Very low45Very low161 Ų161152.3 Ų152.375%0.75276%0.759SS**  trans-66.5144.2156.5-83.3-76.914.800109.2E619E619-Q621 PolarHBondContact O-N 2.81Å
622L44.7Very low44.5Very low154 Ų154153.1 Ų153.181%0.80677%0.773SS**SBendtrans64.179.5166-56.3152.7000116.7
623S42.1Very low44.5Very low101 Ų101156.4 Ų156.471%0.70678%0.784SS**  -171.8122.1130-86.90000114.1
624F42Very low44.3Very low195 Ų195157.5 Ų157.586%0.85579%0.79SS**  trans41.878.9152.4-65-88.1000118
625R39.8Very low44.2Very low239 Ų239160.2 Ų160.290%0.90280%0.8SS**  32.696.492.1-71.5-160.7178.2-146.73.2115.9
626R37.4Very low43.9Very low253 Ų253160.7 Ų160.796%0.95580%0.802SS**  168.395.3120.7-94174.4172.5-111.42.5112.8
627S39.3Very low43.5Very low107 Ų107161.9 Ų161.975%0.74881%0.807SS**  trans-153.4132.5141.7590000108.6T629S627-T629 PolarHBondContact O-N 3.35Å
628P44.9Very low42.9Very low133 Ų133164.1 Ų164.186%0.86482%0.819SS**  trans-87.9111.2-172.930.8-29.8000111.2
629T43.9Very low42.5Very low129 Ų129164.6 Ų164.679%0.79182%0.819SS**  trans-72.5125.316242.30000109.4S627 S631S627-T629 PolarHBondContact O-N 3.35Å; T629-S631 PolarHBondContact O-N 2.99Å; T629-S631 VanDerWaalsContact O-N 3.09Å
630K40.7Very low42.1Very low212 Ų212163.9 Ų163.992%0.92282%0.821SS**  trans-70.4100.8169.8-92.2-177.6171.9177.90109.4
631S46.4Very low42Very low93 Ų93163 Ų16365%0.6582%0.819SS**  trans-100.3146.8160.650.70000110.6T629 L633T629-S631 PolarHBondContact O-N 2.99Å; T629-S631 VanDerWaalsContact O-N 3.09Å; S631-L633 PolarHBondContact O-N 3.13Å
632S39.5Very low41.8Very low123 Ų123164.9 Ų164.986%0.8683%0.828SS**  trans12.386.2161-49.40000117.5
633L46.9Very low41.7Very low148 Ų148162.5 Ų162.578%0.77582%0.824SS**  trans-90.3123.6166.9-95.4163.4000111S631 Y635S631-L633 PolarHBondContact O-N 3.13Å; L633-Y635 PolarHBondContact O-N 3.49Å
634D42.3Very low41.7Very low141 Ų141165.3 Ų165.375%0.75483%0.831SS**  trans-50.6122.1171.3-88.9-77.7000113.1R636D634-R636 PolarHBondContact O-N 3.03Å
635Y37.2Very low41.5Very low239 Ų239167.4 Ų167.494%0.93784%0.835SS**THydrogen-bonded Turntrans-77.545.6175.6-97.7-85.3000113.1L633L633-Y635 PolarHBondContact O-N 3.49Å
636R47.7Very low41.4Very low229 Ų229160.5 Ų160.586%0.86483%0.829SS**THydrogen-bonded Turntrans-132.4-5.5-174.2-85.3-171.4175.5162-0.4118.6D634D634-R636 PolarHBondContact O-N 3.03Å
637R40.8Very low41.6Very low240 Ų240160 Ų16091%0.90683%0.827SS**  trans-143.9114.6168.8-74.5-170.9171.4165.5-3.8112.6
638L36.4Very low41.7Very low174 Ų174166 Ų16691%0.91184%0.835SS**  trans-75.7144.4153.2-73.5160.4000108.2
639P44.5Very low41.5Very low116 Ų116165.6 Ų165.675%0.75384%0.836SS**  -137.4176.7117.134.9-20.9000113.5
640D39.5Very low41.2Very low156 Ų156163 Ų16383%0.83483%0.834SS**  trans-74.1165.4-153-67.7-91.6000119.9
641A40.7Very low41.3Very low80 Ų80158.2 Ų158.266%0.66183%0.827SS**  trans54.7101.2144.200000119.7
642H42Very low40.9Very low200 Ų200164.7 Ų164.793%0.92684%0.839SS**  -146.1110.7127-86.1-64.5000110.1
643S41.4Very low41.2Very low105 Ų105165.6 Ų165.673%0.73483%0.834SS**  trans-66.1147.1167.6-52.60000110.5
644D42.3Very low41.3Very low160 Ų160165.1 Ų165.186%0.85683%0.833SS**  trans162.9-15.1143.2-84.7-19.2000114.8A646D644-A646 VanDerWaalsContact C-N 3.34Å; D644-A646 PolarHBondContact O-N 2.73Å
645Y36.8Very low41.3Very low238 Ų238169.3 Ų169.393%0.93384%0.84SS**  trans-85.615.8-172.1-111.1-81.9000117.1R647Y645-R647 PolarHBondContact O-N 3.46Å
646A38.9Very low42Very low94 Ų94165.4 Ų165.478%0.77783%0.834SS**  trans-10067.6-169.200000114.5D644D644-A646 VanDerWaalsContact C-N 3.34Å; D644-A646 PolarHBondContact O-N 2.73Å
647R42.3Very low41.8Very low243 Ų243165.2 Ų165.292%0.91783%0.833SS**SBendtrans-142.14.1171-85.1-152.6179.3-165.32.2119.1Y645Y645-R647 PolarHBondContact O-N 3.46Å
648Y41.3Very low42.1Very low233 Ų233159.1 Ų159.191%0.91483%0.834SS**SBendtrans-136.126.8-172.9-128-91.3000118
649S40.2Very low42.7Very low125 Ų125155.3 Ų155.387%0.87483%0.828SS**  trans-140.774172.269.60000113.7
650G37Very low42.9Very low74 Ų74157.9 Ų157.976%0.76383%0.83SS**  trans-100.9157.5165.700000112.2
651S43.2Very low43.1Very low111 Ų111158.4 Ų158.478%0.77683%0.83SS**SBendtrans80.833.6164.5-162.40000120.3
652Y37.5Very low43.3Very low229 Ų229164.4 Ų164.490%0.89884%0.844SS**SBendtrans-136.916.4167.8-124.5-84.2000117.4
653N46.2Very low43.4Very low142 Ų142160 Ų16076%0.75984%0.836SS**  trans-1272.7-173.9-95-45.2000117.2Y655N653-Y655 VanDerWaalsContact C-N 3.32Å; N653-Y655 PolarHBondContact O-N 3.02Å
654D48.7Very low43.6Very low139 Ų139158.9 Ų158.974%0.74384%0.84SS**G310 helixtrans-68.7-20.8-174.6-80.6-83.3000115.8L656D654-L656 PolarHBondContact O-N 3.05Å
655Y43.6Very low43.4Very low229 Ų229160.7 Ų160.790%0.89884%0.836SS**G310 helixtrans-86.45.1-169.2-70.1-71.5000116.6N653N653-Y655 VanDerWaalsContact C-N 3.32Å; N653-Y655 PolarHBondContact O-N 3.02Å
656L51.7Low43.8Very low157 Ų157157.7 Ų157.782%0.82283%0.831SS**G310 helixtrans-121.10.1-176.2-84.8169.5000116.3D654D654-L656 PolarHBondContact O-N 3.05Å
657R42.3Very low43.7Very low224 Ų224163.9 Ų163.985%0.84583%0.834SS**  trans-97.52.3-174.4-141.6177.6-174.7117.82.5116.2A659R657-A659 VanDerWaalsContact C-N 3.28Å; R657-A659 PolarHBondContact O-N 3.1Å
658A46.7Very low44Very low112 Ų112162.9 Ų162.993%0.92683%0.83SS**THydrogen-bonded Turntrans-79.57.3-175.100000115.9
659A49.7Very low43.9Very low95 Ų95164.3 Ų164.379%0.78585%0.849SS**THydrogen-bonded Turntrans-117.32.7-17000000115.9R657R657-A659 VanDerWaalsContact C-N 3.28Å; R657-A659 PolarHBondContact O-N 3.1Å
660Q48.8Very low44.1Very low169 Ų169166.3 Ų166.379%0.7985%0.848SS**  trans-144.989-179.6-82.4-177.1-38.700111.6
661M43.5Very low44.5Very low168 Ų168171.2 Ų171.283%0.82885%0.852SS**  trans-173.871.6148.2-83.9-35.1161.300110.2
662H46.4Very low44.5Very low206 Ų206174.5 Ų174.595%0.95486%0.856SS**  trans-152.675.7159.4-86.1105.1000108.8
663S43.9Very low44.9Very low108 Ų108171.3 Ų171.376%0.75585%0.854SS**  trans-130.972.7166.4-162.40000108.3Y665S663-Y665 PolarHBondContact O-N 3.15Å
664G45Very low44.9Very low81 Ų81173.1 Ų173.184%0.83586%0.86SS**  trans-71.310817000000109.1Q666G664-Q666 PolarHBondContact O-N 3.3Å
665Y37.4Very low44.6Very low197 Ų197175.4 Ų175.477%0.77387%0.867SS**  trans-62.7123.8172.8-104.6-109.5000110.9S663S663-Y665 PolarHBondContact O-N 3.15Å
666Q44.7Very low44.7Very low175 Ų175171.6 Ų171.682%0.81887%0.865SS**  trans-145.199.7137.7-88.9-165.8-11.800109.3G664G664-Q666 PolarHBondContact O-N 3.3Å
667R38.4Very low44.1Very low224 Ų224172.7 Ų172.785%0.84587%0.869SS**  trans-84.6135.1152.4-70.4-169.2-173.9-157.24.1107.5
668R47.2Very low44.3Very low222 Ų222168.4 Ų168.484%0.83887%0.87SS**  trans-136.4128.9158-83.1-166.5173.2-158.1-0.5108.6
669M40Very low44.1Very low264 Ų264173.5 Ų173.5100%1.387%0.865SS**  trans51.20179.3-62-58-16600114.9

Retrieved 669 of 669 residues in 109.9 ms (Link to these results)