A0A096MNJ6_PAPAN Loading...

RNA-binding protein 14

AlphaFold DB (Q96PK6), UniProt , Accession A0A096MNJ6, Species PAPAN (Papio anubis, Olive baboon), Gene RBM14, Length 669 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M88.2Confident86.3Confident54 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 79.8 ms (Link to these results)

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