A0A077ZFN6_TRITR Loading...

tRNA pseudouridine(55) synthase

AlphaFold DB , UniProt , Accession A0A077ZFN6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M89.1Confident96Very high114 Ų11454.5 Ų54.556%0.56228%0.282SS*.  0135.90179.8-176.8-42.600107.4D5 A6 K9 P27 L194M1-D5 HydrophobicContact CG-CB 3.74Å; M1-D5 HydrophobicContact SD-CB 4.38Å; M1-A6 HydrophobicContact SD-CB 4.22Å; M1-K9 VanDerWaalsContact CE-NZ 3.3Å; M1-K9 HydrophobicContact SD-CD 4.09Å; M1-P27 PolarHBondContact N-O 3.09Å; M1-L194 HydrophobicContact CE-CD1 4.16Å; M1-L194 HydrophobicContact SD-CD1 3.86Å
2S92.3Very high96.2Very high44 Ų4468.2 Ų68.231%0.30833%0.327SS..  trans-74.6156.7179.8790000111.8N4 D5 A6S2-N4 PolarHBondContact O-N 3.01Å; S2-D5 WeakPolarHBondContact CB-OD2 3.08Å; S2-D5 PolarHBondContact N-OD2 2.89Å; S2-D5 VanDerWaalsContact N-OD2 3.11Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 VanDerWaalsContact O-N 3.11Å; S2-D5 PolarHBondContact OG-N 2.73Å; S2-D5 VanDerWaalsContact OG-N 3.12Å; S2-D5 PolarHBondContact OG-OD1 3.34Å; S2-D5 PolarHBondContact OG-OD2 3.12Å; S2-A6 PolarHBondContact O-N 3.23Å; S2-A6 VanDerWaalsContact O-N 3.08Å
3S94.9Very high96.3Very high8 Ų865.5 Ų65.56%0.05632%0.316CS..Hα-helixtrans-59.8-32.1173.9-65.20000112.8L7 L25S3-L7 VanDerWaalsContact O-CB 3.32Å; S3-L7 WeakPolarHBondContact O-CB 3.44Å; S3-L7 PolarHBondContact O-N 3.39Å; S3-L25 PolarHBondContact OG-N 2.94Å; S3-L25 PolarHBondContact OG-O 3.32Å
4N95.3Very high96.4Very high79 Ų7963.6 Ų63.642%0.42230%0.304SS..Hα-helixtrans-69.6-39.2175.5-177.464000111.4S2 A6 L7 Q8S2-N4 PolarHBondContact O-N 3.01Å; N4-A6 VanDerWaalsContact C-N 3.34Å; N4-A6 PolarHBondContact O-N 2.87Å; N4-L7 WeakPolarHBondContact O-CB 3.39Å; N4-L7 PolarHBondContact O-N 2.83Å; N4-Q8 WeakPolarHBondContact O-CG 3.41Å; N4-Q8 PolarHBondContact O-N 3.39Å
5D96.6Very high96.3Very high76 Ų7668.9 Ų68.941%0.40634%0.335SS..Hα-helixtrans-64.2-41.9176.6-55.3-38.3000111.2M1 S2 Q8 K9M1-D5 HydrophobicContact CG-CB 3.74Å; M1-D5 HydrophobicContact SD-CB 4.38Å; S2-D5 WeakPolarHBondContact CB-OD2 3.08Å; S2-D5 PolarHBondContact N-OD2 2.89Å; S2-D5 VanDerWaalsContact N-OD2 3.11Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 VanDerWaalsContact O-N 3.11Å; S2-D5 PolarHBondContact OG-N 2.73Å; S2-D5 VanDerWaalsContact OG-N 3.12Å; S2-D5 PolarHBondContact OG-OD1 3.34Å; S2-D5 PolarHBondContact OG-OD2 3.12Å; D5-Q8 PolarHBondContact O-N 2.9Å; D5-K9 WeakPolarHBondContact O-CG 3.38Å; D5-K9 PolarHBondContact O-N 2.9Å
6A97.2Very high96.3Very high18 Ų1865.8 Ų65.815%0.14932%0.324CS..Hα-helixtrans-60.2-47.2173.700000111.2M1 S2 N4 Q8 K9 V10 L33 L194M1-A6 HydrophobicContact SD-CB 4.22Å; S2-A6 PolarHBondContact O-N 3.23Å; S2-A6 VanDerWaalsContact O-N 3.08Å; N4-A6 VanDerWaalsContact C-N 3.34Å; N4-A6 PolarHBondContact O-N 2.87Å; A6-Q8 PolarHBondContact O-N 2.63Å; A6-K9 PolarHBondContact O-N 2.82Å; A6-V10 WeakPolarHBondContact O-CG2 3.47Å; A6-V10 PolarHBondContact O-N 3.48Å; A6-L33 HydrophobicContact CB-CD2 4.01Å; A6-L194 HydrophobicContact CB-CD1 4.49Å
7L97.8Very high96.2Very high9 Ų971.1 Ų71.15%0.04735%0.354CS..Hα-helixtrans-55.1-47.8174.6171.769.1000112.2S3 N4 K9 V10 K11 A19 I35S3-L7 VanDerWaalsContact O-CB 3.32Å; S3-L7 WeakPolarHBondContact O-CB 3.44Å; S3-L7 PolarHBondContact O-N 3.39Å; N4-L7 WeakPolarHBondContact O-CB 3.39Å; N4-L7 PolarHBondContact O-N 2.83Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 3.46Å; L7-V10 PolarHBondContact O-N 3.32Å; L7-K11 WeakPolarHBondContact O-CB 3.23Å; L7-K11 PolarHBondContact O-N 2.83Å; L7-A19 HydrophobicContact CD1-CB 3.51Å; L7-A19 HydrophobicContact CG-CB 4.31Å; L7-I35 HydrophobicContact CB-CD1 4.2Å; L7-I35 HydrophobicContact CD1-CD1 3.9Å; L7-I35 HydrophobicContact CD1-CG2 3.54Å
8Q98.2Very high96.2Very high89 Ų8974.6 Ų74.642%0.41636%0.362SS..Hα-helixtrans-65-37.3-179.5-66.8-51.1-40.200111.9N4 D5 A6 K11 R12N4-Q8 WeakPolarHBondContact O-CG 3.41Å; N4-Q8 PolarHBondContact O-N 3.39Å; D5-Q8 PolarHBondContact O-N 2.9Å; A6-Q8 PolarHBondContact O-N 2.63Å; Q8-K11 PolarHBondContact O-N 3.19Å; Q8-R12 PolarHBondContact O-N 2.97Å
9K98.2Very high96.2Very high80 Ų8071.7 Ų71.735%0.34835%0.352SS..Hα-helixtrans-63.9-47.9175-72.4173.9178.9-177.30111.4M1 D5 A6 L7 R12 I13 L194M1-K9 VanDerWaalsContact CE-NZ 3.3Å; M1-K9 HydrophobicContact SD-CD 4.09Å; D5-K9 WeakPolarHBondContact O-CG 3.38Å; D5-K9 PolarHBondContact O-N 2.9Å; A6-K9 PolarHBondContact O-N 2.82Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 3.46Å; K9-R12 PolarHBondContact O-N 2.94Å; K9-I13 WeakPolarHBondContact O-CG1 3.28Å; K9-I13 PolarHBondContact O-N 2.99Å; K9-L194 HydrophobicContact CB-CD1 4.39Å; K9-L194 HydrophobicContact CB-CD2 3.97Å; K9-L194 HydrophobicContact CD-CD1 3.86Å
10V98.2Very high96.3Very high18 Ų1869 Ų6911%0.10934%0.343CS..Hα-helixtrans-61.6-44.6176.1177.20000111A6 L7 R12 I13 Y14 I35 L37 L194 L197A6-V10 WeakPolarHBondContact O-CG2 3.47Å; A6-V10 PolarHBondContact O-N 3.48Å; L7-V10 PolarHBondContact O-N 3.32Å; V10-R12 VanDerWaalsContact C-N 3.26Å; V10-R12 PolarHBondContact O-N 3.07Å; V10-I13 PolarHBondContact O-N 3.29Å; V10-Y14 HydrophobicContact CG1-CD2 3.8Å; V10-Y14 HydrophobicContact CG1-CE2 4.15Å; V10-Y14 PolarHBondContact O-N 3.34Å; V10-I35 HydrophobicContact CB-CG2 4.39Å; V10-I35 HydrophobicContact CG1-CB 4.4Å; V10-I35 HydrophobicContact CG1-CG2 3.98Å; V10-I35 HydrophobicContact CG2-CG1 4.38Å; V10-L37 HydrophobicContact CG1-CD2 4.41Å; V10-L194 HydrophobicContact CG2-CD2 3.6Å; V10-L197 HydrophobicContact CG2-CD1 4.2Å
11K98.2Very high96.2Very high64 Ų6468.3 Ų68.328%0.27834%0.338SS..Hα-helixtrans-54.4-44.4176.9-175-173.9177.1-172.90111.6L7 Q8 N15 A16 N17 A19L7-K11 WeakPolarHBondContact O-CB 3.23Å; L7-K11 PolarHBondContact O-N 2.83Å; Q8-K11 PolarHBondContact O-N 3.19Å; K11-N15 PolarHBondContact O-N 3.11Å; K11-A16 WeakPolarHBondContact CE-O 3.4Å; K11-A16 HydrophobicContact CG-CB 4.28Å; K11-A16 VanDerWaalsContact CG-O 3.22Å; K11-A16 WeakPolarHBondContact CG-O 3.12Å; K11-A16 PolarHBondContact O-N 2.97Å; K11-N17 WeakPolarHBondContact CE-O 3.47Å; K11-N17 PolarHBondContact NZ-O 3.11Å; K11-A19 HydrophobicContact CB-CB 3.78Å; K11-A19 HydrophobicContact CD-CB 4.15Å; K11-A19 HydrophobicContact CG-CB 3.85Å
12R98Very high96.4Very high219 Ų21962.9 Ų62.983%0.82631%0.312SS*.Hα-helixtrans-68.2-44.4178.1-178.3175.3176.1160.5-1112.2Q8 K9 V10 Y14 N15Q8-R12 PolarHBondContact O-N 2.97Å; K9-R12 PolarHBondContact O-N 2.94Å; V10-R12 VanDerWaalsContact C-N 3.26Å; V10-R12 PolarHBondContact O-N 3.07Å; R12-Y14 VanDerWaalsContact C-N 3.33Å; R12-Y14 PolarHBondContact O-N 3.14Å; R12-N15 PolarHBondContact O-N 3.13Å; R12-N15 VanDerWaalsContact O-N 3.09Å
13I98.1Very high96.3Very high34 Ų3461.4 Ų61.417%0.17430%0.304CS..Hα-helixtrans-58.3-46179.2-72165.5000110.9K9 V10 N15 L194 L197 R198 V201 L215K9-I13 WeakPolarHBondContact O-CG1 3.28Å; K9-I13 PolarHBondContact O-N 2.99Å; V10-I13 PolarHBondContact O-N 3.29Å; I13-N15 VanDerWaalsContact C-N 3.26Å; I13-N15 PolarHBondContact O-N 2.91Å; I13-L194 HydrophobicContact CD1-CD2 4.41Å; I13-L197 HydrophobicContact CD1-CB 4Å; I13-L197 HydrophobicContact CG2-CB 4.25Å; I13-R198 HydrophobicContact CD1-CG 4.3Å; I13-V201 HydrophobicContact CG2-CG2 3.89Å; I13-L215 HydrophobicContact CG2-CD1 3.84Å; I13-L215 HydrophobicContact CG2-CD2 4.19Å
14Y97.6Very high96.2Very high38 Ų3864 Ų6415%0.14933%0.326CS..THydrogen-bonded Turntrans-81.82.1178-82.4-89000114.3V10 R12 A16 L37 L197 L215 L219V10-Y14 HydrophobicContact CG1-CD2 3.8Å; V10-Y14 HydrophobicContact CG1-CE2 4.15Å; V10-Y14 PolarHBondContact O-N 3.34Å; R12-Y14 VanDerWaalsContact C-N 3.33Å; R12-Y14 PolarHBondContact O-N 3.14Å; Y14-A16 PolarHBondContact O-N 2.86Å; Y14-L37 HydrophobicContact CD1-CD1 3.8Å; Y14-L37 HydrophobicContact CD2-CD1 3.94Å; Y14-L37 HydrophobicContact CE1-CD1 4.4Å; Y14-L37 HydrophobicContact CG-CD1 3.53Å; Y14-L197 HydrophobicContact CE2-CD1 4.36Å; Y14-L197 HydrophobicContact CE2-CD2 4.09Å; Y14-L215 HydrophobicContact CD1-CB 4.25Å; Y14-L215 HydrophobicContact CE1-CB 3.64Å; Y14-L215 PolarHBondContact OH-O 3.4Å; Y14-L219 HydrophobicContact CD1-CD1 4.47Å; Y14-L219 HydrophobicContact CD1-CD2 4.19Å; Y14-L219 HydrophobicContact CE1-CD1 4.11Å; Y14-L219 HydrophobicContact CE1-CD2 3.57Å; Y14-L219 HydrophobicContact CE1-CG 3.84Å
15N95.5Very high96.1Very high144 Ų14461.2 Ų61.277%0.7731%0.311SS*.THydrogen-bonded Turntrans46.638-172.1-166.831.8000113.5K11 R12 I13K11-N15 PolarHBondContact O-N 3.11Å; R12-N15 PolarHBondContact O-N 3.13Å; R12-N15 VanDerWaalsContact O-N 3.09Å; I13-N15 VanDerWaalsContact C-N 3.26Å; I13-N15 PolarHBondContact O-N 2.91Å
16A95.9Very high95.9Very high19 Ų1959.2 Ų59.216%0.15730%0.3CS..  trans-82.2132.8-172.300000111.3K11 Y14 R18 L37K11-A16 WeakPolarHBondContact CE-O 3.4Å; K11-A16 HydrophobicContact CG-CB 4.28Å; K11-A16 VanDerWaalsContact CG-O 3.22Å; K11-A16 WeakPolarHBondContact CG-O 3.12Å; K11-A16 PolarHBondContact O-N 2.97Å; Y14-A16 PolarHBondContact O-N 2.86Å; A16-R18 VanDerWaalsContact C-N 3.27Å; A16-R18 PolarHBondContact O-N 2.84Å; A16-L37 HydrophobicContact CB-CB 4.32Å; A16-L37 HydrophobicContact CB-CD2 3.91Å; A16-L37 HydrophobicContact CB-CG 4.5Å
17N94.1Very high95.6Very high156 Ų15661.8 Ų61.883%0.83432%0.315SS*.SBendtrans-59.7-38176.2-73.5-31.5000112.6K11K11-N17 WeakPolarHBondContact CE-O 3.47Å; K11-N17 PolarHBondContact NZ-O 3.11Å
18R96.1Very high95.4Very high134 Ų13463.1 Ų63.151%0.50632%0.322SS..  trans-135.6144.9-179.3-167.7179.1177.3170.50.7110.2A16 G38 T41A16-R18 VanDerWaalsContact C-N 3.27Å; A16-R18 PolarHBondContact O-N 2.84Å; R18-G38 PolarHBondContact O-N 3.08Å; R18-T41 VanDerWaalsContact CD-OG1 3.3Å; R18-T41 WeakPolarHBondContact CD-OG1 3.43Å; R18-T41 HydrophobicContact CG-CG2 4.15Å; R18-T41 PolarHBondContact NE-OG1 2.84Å
19A97.6Very high95.4Very high20 Ų2059.6 Ų59.617%0.16531%0.308CS..EExtended strand (participates in β ladder)trans-147153.5170.600000110.3L7 K11 I35 C36 L37L7-A19 HydrophobicContact CD1-CB 3.51Å; L7-A19 HydrophobicContact CG-CB 4.31Å; K11-A19 HydrophobicContact CB-CB 3.78Å; K11-A19 HydrophobicContact CD-CB 4.15Å; K11-A19 HydrophobicContact CG-CB 3.85Å; A19-I35 HydrophobicContact CB-CG2 4.5Å; A19-C36 CarbonylContact C-O 3.41Å; A19-C36 WeakPolarHBondContact CA-O 3.47Å; A19-L37 HydrophobicContact CB-CD2 3.74Å
20G96.9Very high95.3Very high17 Ų1758.7 Ų58.718%0.17531%0.309CS..EExtended strand (participates in β ladder)trans-148.7144.8172.400000111.5C36G20-C36 PolarHBondContact N-O 3.19Å; G20-C36 PolarHBondContact O-N 3.11Å
21H95Very high95.2Very high54 Ų5458.9 Ų58.925%0.2532%0.315CS..EExtended strand (participates in β ladder)trans-96.1154.8173.871.677.5000110.7G23 L33 I35H21-G23 PolarHBondContact ND1-N 3.33Å; H21-G23 PolarHBondContact O-N 2.68Å; H21-L33 HydrophobicContact CB-CD1 3.98Å; H21-L33 HydrophobicContact CB-CG 4.39Å; H21-I35 HydrophobicContact CB-CD1 3.71Å
22T92.8Very high95.2Very high0 Ų056.2 Ų56.20%030%0.304CS..SBendtrans-103.841.1-169.653.60000113.3P34 L47T22-P34 HydrophobicContact CG2-CB 4.42Å; T22-P34 PolarHBondContact N-O 3.05Å; T22-P34 VanDerWaalsContact OG1-CB 3.23Å; T22-P34 WeakPolarHBondContact OG1-CB 3.45Å; T22-P34 WeakPolarHBondContact OG1-CD 3.45Å; T22-P34 WeakPolarHBondContact OG1-CG 3.46Å; T22-P34 PolarHBondContact OG1-O 2.88Å; T22-L47 HydrophobicContact CG2-CB 3.64Å; T22-L47 HydrophobicContact CG2-CD1 3.7Å; T22-L47 HydrophobicContact CG2-CG 4.34Å
23G90.9Very high95.2Very high14 Ų1447.5 Ų47.514%0.14427%0.273CS..SBendtrans121125.8-178.800000112H21 L33 L48 R180H21-G23 PolarHBondContact ND1-N 3.33Å; H21-G23 PolarHBondContact O-N 2.68Å; G23-L33 WeakPolarHBondContact O-CD1 3.31Å; G23-L48 VanDerWaalsContact N-CD2 3.3Å; G23-R180 PolarHBondContact O-NH1 3.3Å; G23-R180 PolarHBondContact O-NH2 3.07Å
24A92Very high95.1Very high62 Ų6246.4 Ų46.451%0.51227%0.268SS..PPolyproline II helixtrans-66.7138.2-17600000111.7
25L93.6Very high95.1Very high21 Ų2146.7 Ų46.711%0.1127%0.272CS..PPolyproline II helixtrans-88.1145.2158.3-69.2177000109.3S3 A29 L33 Y54 R180S3-L25 PolarHBondContact OG-N 2.94Å; S3-L25 PolarHBondContact OG-O 3.32Å; L25-A29 HydrophobicContact CB-CB 4.18Å; L25-A29 HydrophobicContact CD2-CB 4.37Å; L25-L33 HydrophobicContact CD1-CB 4.09Å; L25-L33 HydrophobicContact CG-CD1 4.47Å; L25-Y54 HydrophobicContact CD2-CE1 4.36Å; L25-R180 HydrophobicContact CD2-CB 3.65Å; L25-R180 HydrophobicContact CD2-CG 4.47Å; L25-R180 VanDerWaalsContact CD2-CZ 3.45Å
26D91.6Very high95.2Very high34 Ų3440.2 Ų40.218%0.18224%0.238CC..PPolyproline II helixtrans-60.3151.1167.1-68.7-37.6000110.2L28 A29 R159D26-L28 VanDerWaalsContact C-N 3.28Å; D26-L28 HydrophobicContact CB-CD2 3.81Å; D26-L28 PolarHBondContact O-N 3.28Å; D26-A29 HydrophobicContact CB-CB 4.23Å; D26-A29 VanDerWaalsContact O-CB 3.3Å; D26-A29 WeakPolarHBondContact O-CB 3.13Å; D26-A29 PolarHBondContact O-N 3.38Å; D26-R159 VanDerWaalsContact CG-NE 3.26Å; D26-R159 IonicContact OD1-CZ 3.39Å; D26-R159 IonicContact OD1-NE 2.9Å; D26-R159 PolarHBondContact OD1-NE 3Å; D26-R159 IonicContact OD1-NH2 3.74Å; D26-R159 PolarHBondContact OD1-NH2 3.29Å; D26-R159 WeakPolarHBondContact OD2-CD 3.22Å; D26-R159 IonicContact OD2-CZ 3.68Å; D26-R159 IonicContact OD2-NE 3.57Å; D26-R159 PolarHBondContact OD2-NE 3.24Å; D26-R159 IonicContact OD2-NH2 3.6Å
27P91.5Very high95.3Very high71 Ų7140.9 Ų40.946%0.46124%0.239SC..THydrogen-bonded Turntrans-58.4-33.1-176-27.736.7000115.6M1 A29M1-P27 PolarHBondContact N-O 3.09Å; P27-A29 VanDerWaalsContact C-N 3.29Å
28L94.6Very high95.4Very high38 Ų3834.7 Ų34.720%0.19921%0.212CC..THydrogen-bonded Turntrans-74.4-18.6173.672.9143.2000113.4D26 D68 V175 L178D26-L28 VanDerWaalsContact C-N 3.28Å; D26-L28 HydrophobicContact CB-CD2 3.81Å; D26-L28 PolarHBondContact O-N 3.28Å; L28-D68 HydrophobicContact CD1-CB 4.22Å; L28-D68 HydrophobicContact CD2-CB 3.66Å; L28-V175 HydrophobicContact CD1-CG1 3.85Å; L28-L178 HydrophobicContact CD1-CB 4.39Å
29A96.3Very high95.3Very high14 Ų1429.3 Ų29.312%0.11619%0.192CC..  trans-80.2145.2-170.500000111.6L25 D26 P27 L178L25-A29 HydrophobicContact CB-CB 4.18Å; L25-A29 HydrophobicContact CD2-CB 4.37Å; D26-A29 HydrophobicContact CB-CB 4.23Å; D26-A29 VanDerWaalsContact O-CB 3.3Å; D26-A29 WeakPolarHBondContact O-CB 3.13Å; D26-A29 PolarHBondContact O-N 3.38Å; P27-A29 VanDerWaalsContact C-N 3.29Å; A29-L178 CarbonylContact C-O 3.56Å; A29-L178 VanDerWaalsContact CA-O 3.25Å; A29-L178 WeakPolarHBondContact CA-O 3.25Å; A29-L178 HydrophobicContact CB-CB 3.93Å; A29-L178 HydrophobicContact CB-CD2 3.93Å; A29-L178 HydrophobicContact CB-CG 3.85Å
30T96.7Very high95.2Very high62 Ų6229.1 Ų29.138%0.3819%0.19SC..EExtended strand (participates in β ladder)trans-112.8-178.7171.269.60000110.6L178 R179 R180T30-L178 PolarHBondContact N-O 3.31Å; T30-R179 CarbonylContact O-C 3.44Å; T30-R179 VanDerWaalsContact O-CA 3.29Å; T30-R179 WeakPolarHBondContact O-CA 3.14Å; T30-R179 WeakPolarHBondContact OG1-CG 3.2Å; T30-R179 PolarHBondContact OG1-NH1 2.97Å; T30-R180 PolarHBondContact O-N 3.34Å
31G97.1Very high95.2Very high22 Ų2228.8 Ų28.823%0.22719%0.185CC..EExtended strand (participates in β ladder)trans105.5-157.8170.100000113.4L33 R180 M191G31-L33 PolarHBondContact O-N 3.09Å; G31-R180 CarbonylContact C-O 3.09Å; G31-R180 VanDerWaalsContact CA-O 3.25Å; G31-R180 WeakPolarHBondContact CA-O 3.41Å; G31-M191 VanDerWaalsContact C-CE 3.4Å
32M97.6Very high95.2Very high8 Ų828.1 Ų28.14%0.03918%0.181CC..  trans-67.3123.3-168.7-167.8-179-73.500111.2P34 R180 V183 Y186 V188 M191M32-P34 HydrophobicContact CG-CG 4.24Å; M32-R180 PolarHBondContact N-O 3.29Å; M32-R180 PolarHBondContact O-NE 2.82Å; M32-R180 PolarHBondContact O-NH2 3.38Å; M32-V183 HydrophobicContact CB-CG2 4.46Å; M32-V183 HydrophobicContact CG-CG2 4.33Å; M32-V183 HydrophobicContact SD-CB 3.93Å; M32-V183 HydrophobicContact SD-CG2 4.11Å; M32-V183 PolarHBondContact SD-N 3.09Å; M32-V183 VanDerWaalsContact SD-N 3.43Å; M32-Y186 WeakPolarHBondContact CE-O 3.49Å; M32-V188 HydrophobicContact CE-CG2 3.98Å; M32-M191 HydrophobicContact CB-CE 4.14Å; M32-M191 HydrophobicContact CB-CG 4.45Å; M32-M191 HydrophobicContact CB-SD 3.73Å; M32-M191 HydrophobicContact CE-CG 3.97Å; M32-M191 HydrophobicContact CE-SD 3.83Å; M32-M191 HydrophobicContact CG-CG 4.24Å; M32-M191 HydrophobicContact CG-SD 4.14Å
33L97.2Very high95.3Very high36 Ų3628.1 Ų28.119%0.18818%0.181CC..  trans-130.192.9170.4179.565.3000108.3A6 H21 G23 L25 G31 I35 R180A6-L33 HydrophobicContact CB-CD2 4.01Å; H21-L33 HydrophobicContact CB-CD1 3.98Å; H21-L33 HydrophobicContact CB-CG 4.39Å; G23-L33 WeakPolarHBondContact O-CD1 3.31Å; L25-L33 HydrophobicContact CD1-CB 4.09Å; L25-L33 HydrophobicContact CG-CD1 4.47Å; G31-L33 PolarHBondContact O-N 3.09Å; L33-I35 HydrophobicContact CD2-CD1 3.99Å; L33-I35 HydrophobicContact CG-CD1 3.83Å; L33-I35 PolarHBondContact O-N 3.35Å; L33-R180 VanDerWaalsContact CD1-NH2 3.32Å
34P97.5Very high95.5Very high11 Ų1128.7 Ų28.77%0.07118%0.183CC..  trans-65.9127.1179.4-14.626.1000110.5T22 M32 L47 V183 Y186T22-P34 HydrophobicContact CG2-CB 4.42Å; T22-P34 PolarHBondContact N-O 3.05Å; T22-P34 VanDerWaalsContact OG1-CB 3.23Å; T22-P34 WeakPolarHBondContact OG1-CB 3.45Å; T22-P34 WeakPolarHBondContact OG1-CD 3.45Å; T22-P34 WeakPolarHBondContact OG1-CG 3.46Å; T22-P34 PolarHBondContact OG1-O 2.88Å; M32-P34 HydrophobicContact CG-CG 4.24Å; P34-L47 HydrophobicContact CB-CD1 4.25Å; P34-V183 HydrophobicContact CG-CB 3.97Å; P34-V183 HydrophobicContact CG-CG1 4.07Å; P34-V183 HydrophobicContact CG-CG2 4.09Å; P34-Y186 HydrophobicContact CB-CD2 4.04Å; P34-Y186 HydrophobicContact CB-CE2 3.84Å; P34-Y186 HydrophobicContact CG-CD2 4.07Å; P34-Y186 HydrophobicContact CG-CE2 4.33Å
35I97.8Very high95.6Very high44 Ų4430.3 Ų30.323%0.22618%0.18CC..EExtended strand (participates in β ladder)trans-111.3119.1178.8-56.4-56.9000108.6L7 V10 A19 H21 L33 L37L7-I35 HydrophobicContact CB-CD1 4.2Å; L7-I35 HydrophobicContact CD1-CD1 3.9Å; L7-I35 HydrophobicContact CD1-CG2 3.54Å; V10-I35 HydrophobicContact CB-CG2 4.39Å; V10-I35 HydrophobicContact CG1-CB 4.4Å; V10-I35 HydrophobicContact CG1-CG2 3.98Å; V10-I35 HydrophobicContact CG2-CG1 4.38Å; A19-I35 HydrophobicContact CB-CG2 4.5Å; H21-I35 HydrophobicContact CB-CD1 3.71Å; L33-I35 HydrophobicContact CD2-CD1 3.99Å; L33-I35 HydrophobicContact CG-CD1 3.83Å; L33-I35 PolarHBondContact O-N 3.35Å; I35-L37 HydrophobicContact CG2-CD2 3.92Å
36C97.6Very high95.6Very high7 Ų731.6 Ų31.65%0.04718%0.184CC..EExtended strand (participates in β ladder)trans-89.6132.3172.6-58.30000109.4A19 G20 A40 T41A19-C36 CarbonylContact C-O 3.41Å; A19-C36 WeakPolarHBondContact CA-O 3.47Å; G20-C36 PolarHBondContact N-O 3.19Å; G20-C36 PolarHBondContact O-N 3.11Å; C36-A40 HydrophobicContact CB-CB 4.07Å; C36-T41 HydrophobicContact CB-CG2 3.94Å; C36-T41 VanDerWaalsContact O-CG2 3.23Å; C36-T41 WeakPolarHBondContact O-CG2 3.48Å
37L97.1Very high95.7Very high34 Ų3430 Ų3018%0.17818%0.175CC..EExtended strand (participates in β ladder)trans-109.9145177.1-58.4179.5000111V10 Y14 A16 A19 I35 E39 A40 L219V10-L37 HydrophobicContact CG1-CD2 4.41Å; Y14-L37 HydrophobicContact CD1-CD1 3.8Å; Y14-L37 HydrophobicContact CD2-CD1 3.94Å; Y14-L37 HydrophobicContact CE1-CD1 4.4Å; Y14-L37 HydrophobicContact CG-CD1 3.53Å; A16-L37 HydrophobicContact CB-CB 4.32Å; A16-L37 HydrophobicContact CB-CD2 3.91Å; A16-L37 HydrophobicContact CB-CG 4.5Å; A19-L37 HydrophobicContact CB-CD2 3.74Å; I35-L37 HydrophobicContact CG2-CD2 3.92Å; L37-E39 PolarHBondContact O-N 2.77Å; L37-A40 VanDerWaalsContact O-CB 3.23Å; L37-A40 WeakPolarHBondContact O-CB 3.29Å; L37-A40 PolarHBondContact O-N 2.82Å; L37-A40 VanDerWaalsContact O-N 3.1Å; L37-L219 HydrophobicContact CD1-CD2 3.86Å
38G95.5Very high95.8Very high26 Ų2629.2 Ų29.227%0.26817%0.167SC..G310 helixtrans54.6-127.9176.200000113.1R18 A40 T41R18-G38 PolarHBondContact O-N 3.08Å; G38-A40 VanDerWaalsContact C-N 3.25Å; G38-A40 PolarHBondContact O-N 2.85Å; G38-T41 WeakPolarHBondContact O-CB 3.13Å; G38-T41 VanDerWaalsContact O-CG2 3.32Å; G38-T41 WeakPolarHBondContact O-CG2 3.21Å; G38-T41 PolarHBondContact O-N 3.45Å; G38-T41 PolarHBondContact O-OG1 3.12Å
39E94.9Very high95.8Very high21 Ų2130.5 Ų30.510%0.09817%0.174CC..G310 helixtrans-65.9-24.8-178.8-70.4-65.8104.400113.3L37 T41 K42 M222 V287 V288 Y290L37-E39 PolarHBondContact O-N 2.77Å; E39-T41 PolarHBondContact O-N 3.3Å; E39-K42 VanDerWaalsContact O-CB 3.27Å; E39-K42 WeakPolarHBondContact O-CB 3.16Å; E39-K42 WeakPolarHBondContact O-CG 3.4Å; E39-K42 PolarHBondContact O-N 2.97Å; E39-K42 IonicContact OE1-NZ 4Å; E39-K42 WeakPolarHBondContact OE2-CD 3.33Å; E39-K42 WeakPolarHBondContact OE2-CE 3.21Å; E39-K42 IonicContact OE2-NZ 3.06Å; E39-K42 PolarHBondContact OE2-NZ 2.88Å; E39-M222 HydrophobicContact CB-CE 3.86Å; E39-M222 HydrophobicContact CB-SD 3.63Å; E39-V287 HydrophobicContact CB-CG1 4.18Å; E39-V287 HydrophobicContact CG-CG1 4.23Å; E39-V288 PolarHBondContact OE2-N 3.47Å; E39-Y290 HydrophobicContact CG-CE2 4.22Å
40A96Very high95.7Very high15 Ų1530.5 Ų30.512%0.12417%0.173CC..G310 helixtrans-58.1-25.9175.300000112.1C36 L37 G38 K42 F43 M222C36-A40 HydrophobicContact CB-CB 4.07Å; L37-A40 VanDerWaalsContact O-CB 3.23Å; L37-A40 WeakPolarHBondContact O-CB 3.29Å; L37-A40 PolarHBondContact O-N 2.82Å; L37-A40 VanDerWaalsContact O-N 3.1Å; G38-A40 VanDerWaalsContact C-N 3.25Å; G38-A40 PolarHBondContact O-N 2.85Å; A40-K42 PolarHBondContact O-N 3.39Å; A40-K42 VanDerWaalsContact O-N 3.13Å; A40-F43 PolarHBondContact O-N 3.21Å; A40-M222 HydrophobicContact CB-CG 3.88Å
41T96.1Very high95.7Very high10 Ų1030.2 Ų30.26%0.06117%0.169CC..G310 helixtrans-59.7-24.1176.862.40000113.3R18 C36 G38 E39 F43 S44R18-T41 VanDerWaalsContact CD-OG1 3.3Å; R18-T41 WeakPolarHBondContact CD-OG1 3.43Å; R18-T41 HydrophobicContact CG-CG2 4.15Å; R18-T41 PolarHBondContact NE-OG1 2.84Å; C36-T41 HydrophobicContact CB-CG2 3.94Å; C36-T41 VanDerWaalsContact O-CG2 3.23Å; C36-T41 WeakPolarHBondContact O-CG2 3.48Å; G38-T41 WeakPolarHBondContact O-CB 3.13Å; G38-T41 VanDerWaalsContact O-CG2 3.32Å; G38-T41 WeakPolarHBondContact O-CG2 3.21Å; G38-T41 PolarHBondContact O-N 3.45Å; G38-T41 PolarHBondContact O-OG1 3.12Å; E39-T41 PolarHBondContact O-N 3.3Å; T41-F43 PolarHBondContact O-N 2.88Å; T41-S44 WeakPolarHBondContact O-CB 3.24Å; T41-S44 PolarHBondContact O-N 2.89Å; T41-S44 PolarHBondContact O-OG 3.48Å
42K95.1Very high95.7Very high40 Ų4029.9 Ų29.917%0.17416%0.161CC..G310 helixtrans-66.6-21.8176.2-68.6-179.4170.4176.60113.2E39 A40 R285 L286E39-K42 VanDerWaalsContact O-CB 3.27Å; E39-K42 WeakPolarHBondContact O-CB 3.16Å; E39-K42 WeakPolarHBondContact O-CG 3.4Å; E39-K42 PolarHBondContact O-N 2.97Å; E39-K42 IonicContact OE1-NZ 4Å; E39-K42 WeakPolarHBondContact OE2-CD 3.33Å; E39-K42 WeakPolarHBondContact OE2-CE 3.21Å; E39-K42 IonicContact OE2-NZ 3.06Å; E39-K42 PolarHBondContact OE2-NZ 2.88Å; A40-K42 PolarHBondContact O-N 3.39Å; A40-K42 VanDerWaalsContact O-N 3.13Å; K42-R285 HydrophobicContact CB-CG 4.11Å; K42-L286 PolarHBondContact NZ-O 3.33Å
43F95.2Very high95.7Very high1 Ų132 Ų320%0.00417%0.169CC..G310 helixtrans-109.54.4-176.2-45.3-70.6000112A40 T41 Q45 Y46 M222 P225 F269 M272 R285 V287A40-F43 PolarHBondContact O-N 3.21Å; T41-F43 PolarHBondContact O-N 2.88Å; F43-Q45 PolarHBondContact O-N 3.15Å; F43-Y46 HydrophobicContact CB-CD2 4.02Å; F43-Y46 HydrophobicContact CB-CE2 4.19Å; F43-Y46 HydrophobicContact CD1-CE2 4.27Å; F43-Y46 WeakPolarHBondContact O-CD2 3.27Å; F43-Y46 PolarHBondContact O-N 3.15Å; F43-M222 HydrophobicContact CD2-CG 4.32Å; F43-M222 HydrophobicContact CE2-CG 4.16Å; F43-M222 HydrophobicContact CE2-SD 4.18Å; F43-P225 HydrophobicContact CB-CB 4.2Å; F43-P225 HydrophobicContact CB-CG 4.32Å; F43-P225 VanDerWaalsContact O-CB 3.24Å; F43-P225 WeakPolarHBondContact O-CB 3.23Å; F43-F269 HydrophobicContact CD1-CZ 4.42Å; F43-F269 HydrophobicContact CD2-CE1 4.19Å; F43-F269 HydrophobicContact CE1-CE1 4.09Å; F43-F269 AromaticContact CE1-CZ 3.98Å; F43-F269 HydrophobicContact CE1-CZ 3.98Å; F43-F269 AromaticContact CE2-CE1 3.62Å; F43-F269 HydrophobicContact CE2-CE1 3.62Å; F43-F269 HydrophobicContact CE2-CZ 4.29Å; F43-F269 AromaticContact CZ-CE1 3.55Å; F43-F269 HydrophobicContact CZ-CE1 3.55Å; F43-F269 AromaticContact CZ-CZ 3.92Å; F43-F269 HydrophobicContact CZ-CZ 3.92Å; F43-M272 HydrophobicContact CD1-CG 3.75Å; F43-M272 HydrophobicContact CE1-CG 3.82Å; F43-R285 HydrophobicContact CD1-CG 4.32Å; F43-R285 HydrophobicContact CE1-CB 4.08Å; F43-R285 HydrophobicContact CE1-CG 3.79Å; F43-R285 HydrophobicContact CZ-CG 4.49Å; F43-V287 HydrophobicContact CE2-CG2 3.97Å; F43-V287 HydrophobicContact CZ-CG2 3.78Å
44S94.7Very high95.8Very high25 Ų2531.3 Ų31.318%0.17516%0.164CC..Hα-helixtrans-57.3-24.5-179.857.80000114.2T41 Y46 L47 L48T41-S44 WeakPolarHBondContact O-CB 3.24Å; T41-S44 PolarHBondContact O-N 2.89Å; T41-S44 PolarHBondContact O-OG 3.48Å; S44-Y46 VanDerWaalsContact C-N 3.28Å; S44-Y46 PolarHBondContact O-N 2.76Å; S44-L47 PolarHBondContact O-N 3.31Å; S44-L48 PolarHBondContact O-N 2.88Å
45Q93.8Very high95.9Very high96 Ų9633.4 Ų33.445%0.44917%0.171SC..Hα-helixtrans-58-37.4179.4-170.758.448.400112.9F43 L47 L48 D49F43-Q45 PolarHBondContact O-N 3.15Å; Q45-L47 VanDerWaalsContact C-N 3.27Å; Q45-L47 PolarHBondContact O-N 2.97Å; Q45-L48 WeakPolarHBondContact O-CB 3.45Å; Q45-L48 PolarHBondContact O-N 2.78Å; Q45-L48 VanDerWaalsContact O-N 3.15Å; Q45-D49 PolarHBondContact NE2-OD1 3.02Å; Q45-D49 PolarHBondContact NE2-OD2 2.83Å; Q45-D49 WeakPolarHBondContact O-CB 3.33Å; Q45-D49 VanDerWaalsContact O-CG 3.32Å; Q45-D49 PolarHBondContact O-N 3.43Å
46Y94.1Very high95.9Very high49 Ų4931.3 Ų31.319%0.19216%0.16CC..Hα-helixtrans-64.6-31.3-179.8-57.2-64.6000112.7F43 S44 S50 P225 A226 Y229 L258 M272F43-Y46 HydrophobicContact CB-CD2 4.02Å; F43-Y46 HydrophobicContact CB-CE2 4.19Å; F43-Y46 HydrophobicContact CD1-CE2 4.27Å; F43-Y46 WeakPolarHBondContact O-CD2 3.27Å; F43-Y46 PolarHBondContact O-N 3.15Å; S44-Y46 VanDerWaalsContact C-N 3.28Å; S44-Y46 PolarHBondContact O-N 2.76Å; Y46-S50 PolarHBondContact O-N 3.34Å; Y46-P225 WeakPolarHBondContact CB-O 3.43Å; Y46-A226 HydrophobicContact CD2-CB 3.79Å; Y46-A226 HydrophobicContact CE2-CB 4.05Å; Y46-A226 HydrophobicContact CG-CB 4.32Å; Y46-Y229 HydrophobicContact CD1-CD2 4.43Å; Y46-Y229 AromaticContact CD1-CE2 3.34Å; Y46-Y229 HydrophobicContact CD1-CE2 3.34Å; Y46-Y229 AromaticContact CD1-CZ 3.74Å; Y46-Y229 WeakPolarHBondContact CD1-OH 3.31Å; Y46-Y229 HydrophobicContact CE1-CD2 4.48Å; Y46-Y229 AromaticContact CE1-CE2 3.56Å; Y46-Y229 HydrophobicContact CE1-CE2 3.56Å; Y46-Y229 AromaticContact CE1-CZ 3.75Å; Y46-Y229 AromaticContact CG-CE2 3.97Å; Y46-Y229 HydrophobicContact CG-CE2 3.97Å; Y46-L258 HydrophobicContact CE1-CD1 4.31Å; Y46-M272 HydrophobicContact CE2-CE 4.32Å; Y46-M272 HydrophobicContact CE2-CG 3.93Å; Y46-M272 HydrophobicContact CE2-SD 4.3Å; Y46-M272 WeakPolarHBondContact OH-CG 3.29Å
47L94.2Very high96Very high0 Ų032.1 Ų32.10%016%0.163CC..Hα-helixtrans-83.6-31.7172.8-70166.8000112.9T22 P34 S44 Q45 D49 S50 K52 V183 Y186 P225T22-L47 HydrophobicContact CG2-CB 3.64Å; T22-L47 HydrophobicContact CG2-CD1 3.7Å; T22-L47 HydrophobicContact CG2-CG 4.34Å; P34-L47 HydrophobicContact CB-CD1 4.25Å; S44-L47 PolarHBondContact O-N 3.31Å; Q45-L47 VanDerWaalsContact C-N 3.27Å; Q45-L47 PolarHBondContact O-N 2.97Å; L47-D49 PolarHBondContact O-N 3.18Å; L47-S50 PolarHBondContact O-N 3.11Å; L47-S50 PolarHBondContact O-OG 3.25Å; L47-S50 VanDerWaalsContact O-OG 3.11Å; L47-K52 PolarHBondContact O-NZ 2.93Å; L47-V183 HydrophobicContact CD2-CG1 4.3Å; L47-Y186 HydrophobicContact CD1-CE1 4.4Å; L47-Y186 HydrophobicContact CD1-CE2 4.06Å; L47-Y186 WeakPolarHBondContact CD1-OH 3.5Å; L47-Y186 HydrophobicContact CD2-CD1 4.17Å; L47-Y186 HydrophobicContact CD2-CE1 3.8Å; L47-Y186 HydrophobicContact CD2-CE2 4.42Å; L47-P225 HydrophobicContact CD1-CB 3.7Å; L47-P225 HydrophobicContact CD1-CG 3.73Å; L47-P225 HydrophobicContact CG-CB 3.77Å; L47-P225 HydrophobicContact CG-CG 4.36Å
48L93.9Very high96.1Very high55 Ų5530.6 Ų30.629%0.28816%0.155SC..Hα-helixtrans-59.1-38171.7-78162.4000110.7G23 S44 Q45 K52 K154G23-L48 VanDerWaalsContact N-CD2 3.3Å; S44-L48 PolarHBondContact O-N 2.88Å; Q45-L48 WeakPolarHBondContact O-CB 3.45Å; Q45-L48 PolarHBondContact O-N 2.78Å; Q45-L48 VanDerWaalsContact O-N 3.15Å; L48-K52 PolarHBondContact O-NZ 3.03Å; L48-K52 VanDerWaalsContact O-NZ 3.16Å; L48-K154 VanDerWaalsContact O-CB 3.31Å; L48-K154 WeakPolarHBondContact O-CB 3.28Å
49D93Very high96.2Very high65 Ų6533.2 Ų33.235%0.34816%0.157SC..SBendtrans-83.5-10.3-178.2-66.7-25.7000115Q45 L47 K154Q45-D49 PolarHBondContact NE2-OD1 3.02Å; Q45-D49 PolarHBondContact NE2-OD2 2.83Å; Q45-D49 WeakPolarHBondContact O-CB 3.33Å; Q45-D49 VanDerWaalsContact O-CG 3.32Å; Q45-D49 PolarHBondContact O-N 3.43Å; L47-D49 PolarHBondContact O-N 3.18Å; D49-K154 HydrophobicContact CB-CD 4.49Å; D49-K154 WeakPolarHBondContact OD1-CD 3.25Å; D49-K154 WeakPolarHBondContact OD1-CE 3.29Å; D49-K154 IonicContact OD1-NZ 3.75Å; D49-K154 PolarHBondContact OD1-NZ 2.84Å
50S94.6Very high96.4Very high13 Ų1332.2 Ų32.29%0.09115%0.153CC..SBendtrans-71157.818084.20000112.9Y46 L47 K52 V183 S184Y46-S50 PolarHBondContact O-N 3.34Å; L47-S50 PolarHBondContact O-N 3.11Å; L47-S50 PolarHBondContact O-OG 3.25Å; L47-S50 VanDerWaalsContact O-OG 3.11Å; S50-K52 PolarHBondContact O-NZ 2.81Å; S50-V183 WeakPolarHBondContact OG-CG1 3.33Å; S50-S184 PolarHBondContact OG-N 3.38Å
51D96.4Very high96.5Very high57 Ų5731.7 Ų31.731%0.30515%0.148SC..  trans-61.3158.8161.564.2-27.3000112.2Y134 H151 C152 S184D51-Y134 HydrophobicContact CB-CD2 4.35Å; D51-Y134 HydrophobicContact CB-CE2 3.82Å; D51-H151 IonicContact OD2-CD2 3.57Å; D51-H151 IonicContact OD2-CE1 3.15Å; D51-H151 PolarHBondContact OD2-CE1 2.71Å; D51-H151 IonicContact OD2-NE2 3.36Å; D51-H151 PolarHBondContact OD2-NE2 2.67Å; D51-C152 WeakPolarHBondContact CA-O 3.19Å; D51-S184 PolarHBondContact O-N 2.91Å; D51-S184 VanDerWaalsContact O-N 3.11Å
52K97.4Very high96.6Very high14 Ų1432.8 Ų32.86%0.06115%0.153CC..EExtended strand (participates in β ladder)trans-144.1146.9-173.8-62.5174.1179.762.40109.6L47 L48 S50 Y54 H151 C152 A182 V183L47-K52 PolarHBondContact O-NZ 2.93Å; L48-K52 PolarHBondContact O-NZ 3.03Å; L48-K52 VanDerWaalsContact O-NZ 3.16Å; S50-K52 PolarHBondContact O-NZ 2.81Å; K52-Y54 HydrophobicContact CB-CD2 4.3Å; K52-Y54 HydrophobicContact CB-CE2 3.49Å; K52-Y54 VanDerWaalsContact CB-CE2 3.49Å; K52-H151 WeakPolarHBondContact O-CA 3.24Å; K52-C152 PolarHBondContact N-O 2.83Å; K52-C152 PolarHBondContact O-N 3.2Å; K52-A182 WeakPolarHBondContact CA-O 3.28Å; K52-V183 HydrophobicContact CG-CG2 4.38Å
53R98.3Very high96.8Very high54 Ų5433.2 Ų33.220%0.20415%0.153CC..EExtended strand (participates in β ladder)trans-120.1135.2177.7-173.3172.8-78.3-91.1-1.3110.4E135 E149 I150 H151 R180 L181 A182R53-E135 IonicContact CZ-OE2 2.8Å; R53-E135 VanDerWaalsContact CZ-OE2 3.23Å; R53-E135 IonicContact NH1-OE2 3.23Å; R53-E135 PolarHBondContact NH1-OE2 2.89Å; R53-E135 IonicContact NH2-OE2 3.64Å; R53-E135 PolarHBondContact NH2-OE2 2.66Å; R53-E149 VanDerWaalsContact CD-OE1 3.27Å; R53-E149 WeakPolarHBondContact CD-OE1 3.2Å; R53-E149 HydrophobicContact CG-CG 4.2Å; R53-E149 IonicContact CZ-OE1 3.52Å; R53-E149 IonicContact NE-OE1 3.55Å; R53-E149 IonicContact NH1-OE1 3.76Å; R53-E149 PolarHBondContact NH1-OE1 3.14Å; R53-I150 CarbonylContact C-O 3.52Å; R53-I150 WeakPolarHBondContact CA-O 3.49Å; R53-H151 PolarHBondContact NH2-ND1 3.32Å; R53-H151 VanDerWaalsContact NH2-ND1 3.15Å; R53-R180 CarbonylContact O-C 3.5Å; R53-R180 WeakPolarHBondContact O-CA 3.24Å; R53-L181 HydrophobicContact CB-CB 4.46Å; R53-L181 HydrophobicContact CG-CB 4.34Å; R53-L181 HydrophobicContact CG-CD1 4.33Å; R53-L181 PolarHBondContact O-N 2.99Å; R53-A182 HydrophobicContact CB-CB 4.09Å; R53-A182 PolarHBondContact N-O 3.08Å; R53-A182 PolarHBondContact O-N 2.63Å
54Y98.7Very high96.9Very high20 Ų2033.5 Ų33.58%0.07816%0.155CC..EExtended strand (participates in β ladder)trans-131.1143.7-176.9-63.5-96.8000111.3L25 K52 E149 I150 I158 L178 R179 R180L25-Y54 HydrophobicContact CD2-CE1 4.36Å; K52-Y54 HydrophobicContact CB-CD2 4.3Å; K52-Y54 HydrophobicContact CB-CE2 3.49Å; K52-Y54 VanDerWaalsContact CB-CE2 3.49Å; Y54-E149 CarbonylContact O-C 2.9Å; Y54-E149 VanDerWaalsContact O-CA 3.29Å; Y54-E149 WeakPolarHBondContact O-CA 3.35Å; Y54-E149 WeakPolarHBondContact O-CG 3.44Å; Y54-I150 PolarHBondContact N-O 3.3Å; Y54-I150 PolarHBondContact O-N 2.9Å; Y54-I158 HydrophobicContact CD1-CG1 4.22Å; Y54-I158 HydrophobicContact CD2-CD1 3.87Å; Y54-I158 HydrophobicContact CD2-CG1 3.92Å; Y54-I158 HydrophobicContact CE2-CD1 4.44Å; Y54-I158 HydrophobicContact CE2-CG1 4.3Å; Y54-I158 HydrophobicContact CG-CD1 4.16Å; Y54-I158 HydrophobicContact CG-CG1 3.87Å; Y54-L178 HydrophobicContact CD1-CD1 3.86Å; Y54-L178 HydrophobicContact CD1-CG 4.37Å; Y54-L178 HydrophobicContact CG-CD1 4.37Å; Y54-R179 CarbonylContact C-O 3.43Å; Y54-R179 VanDerWaalsContact CA-O 3.24Å; Y54-R179 WeakPolarHBondContact CA-O 3.39Å; Y54-R180 HydrophobicContact CD1-CB 3.73Å; Y54-R180 HydrophobicContact CD1-CG 4.08Å; Y54-R180 HydrophobicContact CE1-CB 3.55Å; Y54-R180 HydrophobicContact CE1-CG 3.72Å; Y54-R180 HydrophobicContact CE2-CG 4.49Å; Y54-R180 WeakPolarHBondContact OH-CD 3.16Å
55R98.8Very high96.8Very high56 Ų5635.2 Ų35.221%0.21116%0.163CC..EExtended strand (participates in β ladder)trans-99.5133.1157.8-177.867.2113.8-130.3-9.9108.5I139 E147 L148 E149 Y177 R179 L181R55-I139 VanDerWaalsContact NH1-CG1 3.27Å; R55-E147 VanDerWaalsContact CD-OE1 3.28Å; R55-E147 WeakPolarHBondContact CD-OE1 3.22Å; R55-E147 HydrophobicContact CG-CG 4.49Å; R55-E147 IonicContact CZ-OE1 3.46Å; R55-E147 IonicContact NE-OE1 3.48Å; R55-E147 PolarHBondContact NE-OE1 3.2Å; R55-E147 IonicContact NH2-OE1 3.56Å; R55-L148 WeakPolarHBondContact CD-O 3.36Å; R55-E149 IonicContact CZ-OE2 3.47Å; R55-E149 IonicContact NH1-OE2 2.87Å; R55-E149 PolarHBondContact NH1-OE2 3.39Å; R55-Y177 HydrophobicContact CB-CE1 4.46Å; R55-Y177 HydrophobicContact CG-CE1 4.17Å; R55-R179 PolarHBondContact N-O 3.22Å; R55-R179 PolarHBondContact O-N 2.67Å; R55-L181 HydrophobicContact CB-CD1 4.11Å; R55-L181 HydrophobicContact CB-CD2 4.25Å; R55-L181 HydrophobicContact CB-CG 4.26Å
56V98.9Very high96.8Very high0 Ų031.4 Ų31.40%015%0.146CC..EExtended strand (participates in β ladder)trans-134140.7-179.762.70000110.3E147 L148 I150 I158 I162 V175 Y177 L178V56-E147 WeakPolarHBondContact O-CA 3.35Å; V56-L148 HydrophobicContact CG1-CB 3.83Å; V56-L148 PolarHBondContact N-O 3.28Å; V56-L148 PolarHBondContact O-N 2.8Å; V56-I150 HydrophobicContact CG1-CD1 4.05Å; V56-I150 HydrophobicContact CG1-CG1 4.45Å; V56-I158 HydrophobicContact CB-CG2 3.89Å; V56-I158 HydrophobicContact CG1-CG2 4.08Å; V56-I158 HydrophobicContact CG2-CG2 3.78Å; V56-I162 HydrophobicContact CG1-CD1 4.08Å; V56-I162 HydrophobicContact CG1-CG1 4.49Å; V56-I162 HydrophobicContact CG2-CD1 4.29Å; V56-I162 HydrophobicContact CG2-CG1 3.9Å; V56-V175 HydrophobicContact CG2-CB 4.46Å; V56-V175 HydrophobicContact CG2-CG1 3.81Å; V56-V175 HydrophobicContact CG2-CG2 3.92Å; V56-Y177 WeakPolarHBondContact CA-O 3.32Å; V56-Y177 WeakPolarHBondContact CG2-O 3.23Å; V56-L178 HydrophobicContact CB-CD1 4.06Å; V56-L178 HydrophobicContact CG2-CD1 4.23Å
57I98.9Very high96.9Very high24 Ų2429.5 Ų29.512%0.12314%0.139CC..EExtended strand (participates in β ladder)trans-116.3124.3165-50.3169.2000107.3E145 L146 E147 I176 Y177I57-E145 HydrophobicContact CG2-CB 4.05Å; I57-E145 HydrophobicContact CG2-CG 4.36Å; I57-L146 CarbonylContact C-O 3.59Å; I57-L146 WeakPolarHBondContact CA-O 3.38Å; I57-E147 HydrophobicContact CG1-CB 4.18Å; I57-E147 HydrophobicContact CG1-CG 3.92Å; I57-I176 HydrophobicContact CB-CD1 4.49Å; I57-I176 HydrophobicContact CB-CG1 4.11Å; I57-I176 HydrophobicContact CG2-CD1 3.89Å; I57-I176 HydrophobicContact CG2-CG1 3.98Å; I57-I176 VanDerWaalsContact O-CG1 3.24Å; I57-I176 WeakPolarHBondContact O-CG1 3.3Å; I57-I176 PolarHBondContact O-N 3.39Å; I57-Y177 HydrophobicContact CD1-CD1 4.12Å; I57-Y177 HydrophobicContact CD1-CG 4.05Å; I57-Y177 HydrophobicContact CG1-CD1 4.02Å; I57-Y177 HydrophobicContact CG1-CG 4.26Å; I57-Y177 PolarHBondContact N-O 3.43Å; I57-Y177 PolarHBondContact O-N 3Å
58A98.8Very high97Very high1 Ų129.8 Ų29.81%0.00814%0.141CC..EExtended strand (participates in β ladder)trans-99141175.500000110.4E145 L146 I162 H174A58-E145 WeakPolarHBondContact O-CA 3.32Å; A58-L146 HydrophobicContact CB-CB 4.39Å; A58-L146 PolarHBondContact N-O 3.44Å; A58-L146 PolarHBondContact O-N 2.97Å; A58-I162 HydrophobicContact CB-CB 4.48Å; A58-I162 HydrophobicContact CB-CD1 4.05Å; A58-I162 HydrophobicContact CB-CG1 4.28Å; A58-I162 HydrophobicContact CB-CG2 3.41Å; A58-I162 VanDerWaalsContact CB-CG2 3.41Å; A58-H174 CarbonylContact C-O 3.55Å; A58-H174 VanDerWaalsContact CA-O 3.31Å; A58-H174 WeakPolarHBondContact CA-O 3.33Å
59R98.8Very high97.1Very high81 Ų8129.6 Ų29.631%0.30615%0.147SC..EExtended strand (participates in β ladder)trans-92.8111164.8177.264.1171.5-171.63.2108.5Q62 N144 A173 H174 I176R59-Q62 HydrophobicContact CG-CB 4.48Å; R59-N144 WeakPolarHBondContact CA-O 3.42Å; R59-A173 WeakPolarHBondContact O-CA 3.46Å; R59-H174 VanDerWaalsContact CG-CE1 3.49Å; R59-H174 WeakPolarHBondContact CG-CE1 3.34Å; R59-H174 PolarHBondContact N-O 2.8Å; R59-H174 PolarHBondContact O-N 3.13Å; R59-H174 VanDerWaalsContact O-N 3.11Å; R59-I176 HydrophobicContact CB-CD1 4.29Å; R59-I176 HydrophobicContact CB-CG1 4.39Å; R59-I176 HydrophobicContact CB-CG2 3.47Å; R59-I176 VanDerWaalsContact CB-CG2 3.47Å; R59-I176 HydrophobicContact CG-CG2 4.41Å
60L98.8Very high97.2Very high1 Ų131.8 Ų31.81%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-79.9151.9176.7-59.3170000110.9Q62 V79 F81 H141 N144 L146 A173L60-Q62 VanDerWaalsContact C-N 3.31Å; L60-V79 HydrophobicContact CB-CG1 4.48Å; L60-V79 HydrophobicContact CB-CG2 3.74Å; L60-V79 HydrophobicContact CD1-CG1 4.37Å; L60-F81 HydrophobicContact CD1-CE1 3.95Å; L60-F81 HydrophobicContact CD1-CZ 3.56Å; L60-F81 HydrophobicContact CD2-CE1 4.49Å; L60-H141 WeakPolarHBondContact CD1-NE2 2.95Å; L60-N144 PolarHBondContact N-O 2.84Å; L60-L146 HydrophobicContact CD1-CB 4.01Å; L60-L146 HydrophobicContact CD2-CB 4.33Å; L60-L146 HydrophobicContact CD2-CD2 4.41Å; L60-L146 HydrophobicContact CG-CB 4.18Å; L60-A173 HydrophobicContact CD2-CB 4Å
61G98.7Very high97.1Very high3 Ų332.1 Ų32.13%0.03116%0.164CC..THydrogen-bonded Turntrans87.8-4177.400000114.3E76 R77 C171 G172G61-E76 CarbonylContact O-C 3.51Å; G61-E76 VanDerWaalsContact O-CA 3.28Å; G61-E76 WeakPolarHBondContact O-CA 3.31Å; G61-E76 WeakPolarHBondContact O-CG 3.24Å; G61-R77 CarbonylContact C-O 3.26Å; G61-R77 WeakPolarHBondContact CA-O 3.29Å; G61-R77 PolarHBondContact O-N 2.85Å; G61-C171 CarbonylContact C-O 3.52Å; G61-C171 VanDerWaalsContact C-O 3.26Å; G61-C171 WeakPolarHBondContact CA-O 3.47Å; G61-G172 PolarHBondContact N-O 2.76Å
62Q98.7Very high97.1Very high34 Ų3436.7 Ų36.716%0.15918%0.184CC..EExtended strand (participates in β ladder)trans-137133.6-177.9-72.8175.2-25.100110R59 L60 I73 E75 E76 A173 H174R59-Q62 HydrophobicContact CG-CB 4.48Å; L60-Q62 VanDerWaalsContact C-N 3.31Å; Q62-I73 HydrophobicContact CG-CD1 4.39Å; Q62-E75 WeakPolarHBondContact CA-O 3.33Å; Q62-E76 HydrophobicContact CG-CG 4.01Å; Q62-E76 PolarHBondContact NE2-OE2 3.39Å; Q62-A173 CarbonylContact O-C 3.56Å; Q62-A173 WeakPolarHBondContact O-CA 3.23Å; Q62-A173 PolarHBondContact O-N 2.98Å; Q62-H174 PolarHBondContact O-N 3.32Å; Q62-H174 PolarHBondContact O-ND1 3.21Å
63R98Very high97.1Very high48 Ų4840.4 Ų40.418%0.18120%0.203CC..EExtended strand (participates in β ladder)trans-110.6145.4169-64.5-176.769.4-163.19.8110.4I73 V74 E75 D163 E167R63-I73 CarbonylContact O-C 3.54Å; R63-I73 VanDerWaalsContact O-CA 3.29Å; R63-I73 WeakPolarHBondContact O-CA 3.39Å; R63-V74 HydrophobicContact CB-CG2 3.99Å; R63-V74 PolarHBondContact O-N 3.34Å; R63-E75 HydrophobicContact CB-CB 4.31Å; R63-E75 PolarHBondContact N-O 2.95Å; R63-E75 IonicContact NH1-OE1 3.68Å; R63-E75 IonicContact NH1-OE2 2.73Å; R63-D163 IonicContact CZ-OD1 2.73Å; R63-D163 IonicContact CZ-OD2 3.52Å; R63-D163 IonicContact NE-OD1 3.99Å; R63-D163 PolarHBondContact NE-OD1 2.82Å; R63-D163 IonicContact NE-OD2 2.83Å; R63-D163 IonicContact NH2-OD1 3.95Å; R63-D163 PolarHBondContact NH2-OD1 3Å; R63-D163 IonicContact NH2-OD2 3.68Å; R63-D163 PolarHBondContact NH2-OD2 2.82Å; R63-E167 VanDerWaalsContact CD-OE1 3.23Å; R63-E167 WeakPolarHBondContact CD-OE1 3.33Å; R63-E167 IonicContact CZ-OE1 3.57Å; R63-E167 IonicContact CZ-OE2 3.09Å; R63-E167 IonicContact NE-OE1 3.97Å; R63-E167 IonicContact NH1-OE1 3.95Å; R63-E167 IonicContact NH1-OE2 2.69Å; R63-E167 PolarHBondContact NH1-OE2 3.07Å
64T97.1Very high97Very high7 Ų742 Ų424%0.04322%0.219CC..EExtended strand (participates in β ladder)trans-119.8156.4172.863.10000110.8T66 S67 D68 Q72 I73 H174T64-T66 PolarHBondContact O-N 3.18Å; T64-S67 PolarHBondContact O-N 2.89Å; T64-S67 VanDerWaalsContact O-N 3.13Å; T64-S67 WeakPolarHBondContact OG1-CA 3.31Å; T64-S67 PolarHBondContact OG1-N 3.08Å; T64-D68 WeakPolarHBondContact CB-O 3.26Å; T64-D68 PolarHBondContact OG1-N 2.93Å; T64-D68 PolarHBondContact OG1-O 3Å; T64-Q72 WeakPolarHBondContact CA-O 3.43Å; T64-Q72 WeakPolarHBondContact CB-O 3.34Å; T64-I73 HydrophobicContact CG2-CG1 4.32Å; T64-H174 HydrophobicContact CG2-CB 4.17Å
65D92.8Very high97Very high62 Ų6245 Ų4533%0.33223%0.234SC..THydrogen-bonded Turntrans-63.6-26.2178.969.7-38.4000113.5G71 Q72 V74 Y104D65-G71 WeakPolarHBondContact OD1-CA 3.49Å; D65-Q72 PolarHBondContact N-O 3.42Å; D65-Q72 VanDerWaalsContact N-O 3.14Å; D65-Q72 PolarHBondContact OD1-N 2.9Å; D65-V74 HydrophobicContact CB-CG1 3.93Å; D65-Y104 HydrophobicContact CB-CE2 4.45Å; D65-Y104 VanDerWaalsContact O-CD2 3.25Å; D65-Y104 WeakPolarHBondContact O-CD2 3.3Å; D65-Y104 WeakPolarHBondContact O-CE2 3.49Å; D65-Y104 PolarHBondContact OD2-OH 2.92Å
66T93.6Very high96.9Very high15 Ų1548.8 Ų48.89%0.09225%0.254CS..THydrogen-bonded Turntrans-94.6-5.1175.561.40000113.9T64 D68 G71 Y104 R159T64-T66 PolarHBondContact O-N 3.18Å; T66-D68 WeakPolarHBondContact CB-OD1 3.45Å; T66-D68 PolarHBondContact O-N 3.25Å; T66-D68 VanDerWaalsContact OG1-CG 3.28Å; T66-D68 PolarHBondContact OG1-N 2.65Å; T66-D68 PolarHBondContact OG1-O 3.33Å; T66-D68 PolarHBondContact OG1-OD1 3.28Å; T66-G71 WeakPolarHBondContact OG1-CA 3.48Å; T66-G71 PolarHBondContact OG1-N 2.91Å; T66-G71 VanDerWaalsContact OG1-N 3.11Å; T66-Y104 HydrophobicContact CG2-CD1 3.96Å; T66-Y104 HydrophobicContact CG2-CD2 3.89Å; T66-Y104 HydrophobicContact CG2-CE1 3.88Å; T66-Y104 HydrophobicContact CG2-CE2 3.78Å; T66-Y104 HydrophobicContact CG2-CG 3.94Å; T66-R159 PolarHBondContact O-NH1 3.3Å
67S95.9Very high96.9Very high9 Ų952 Ų526%0.06327%0.266CS..SBendtrans59.918.7-170.7-46.90000114.1T64 V175T64-S67 PolarHBondContact O-N 2.89Å; T64-S67 VanDerWaalsContact O-N 3.13Å; T64-S67 WeakPolarHBondContact OG1-CA 3.31Å; T64-S67 PolarHBondContact OG1-N 3.08Å; S67-V175 PolarHBondContact O-N 3.41Å
68D96.7Very high96.9Very high7 Ų755.4 Ų55.44%0.03729%0.29CS..BIsolated β-bridgetrans-141.3171.3173.157.350.4000111.8L28 T64 T66 D70 G71 R159 V175L28-D68 HydrophobicContact CD1-CB 4.22Å; L28-D68 HydrophobicContact CD2-CB 3.66Å; T64-D68 WeakPolarHBondContact CB-O 3.26Å; T64-D68 PolarHBondContact OG1-N 2.93Å; T64-D68 PolarHBondContact OG1-O 3Å; T66-D68 WeakPolarHBondContact CB-OD1 3.45Å; T66-D68 PolarHBondContact O-N 3.25Å; T66-D68 VanDerWaalsContact OG1-CG 3.28Å; T66-D68 PolarHBondContact OG1-N 2.65Å; T66-D68 PolarHBondContact OG1-O 3.33Å; T66-D68 PolarHBondContact OG1-OD1 3.28Å; D68-D70 PolarHBondContact O-N 3.02Å; D68-D70 WeakPolarHBondContact OD1-CB 3.42Å; D68-D70 PolarHBondContact OD1-N 3.11Å; D68-D70 VanDerWaalsContact OD1-N 3.14Å; D68-G71 PolarHBondContact O-N 3.32Å; D68-R159 HydrophobicContact CB-CG 4.27Å; D68-R159 WeakPolarHBondContact OD2-CD 3.32Å; D68-R159 IonicContact OD2-CZ 2.83Å; D68-R159 IonicContact OD2-NE 3.8Å; D68-R159 PolarHBondContact OD2-NE 3.18Å; D68-R159 IonicContact OD2-NH1 3.46Å; D68-R159 PolarHBondContact OD2-NH1 2.98Å; D68-V175 CarbonylContact C-O 3.51Å; D68-V175 VanDerWaalsContact CA-O 3.26Å; D68-V175 WeakPolarHBondContact CA-O 3.47Å; D68-V175 HydrophobicContact CB-CB 4.24Å
69A97.1Very high96.9Very high50 Ų5057.3 Ų57.341%0.41330%0.301SS..THydrogen-bonded Turntrans-68.2-10.4-176.700000114.8G71 V175 I176A69-G71 VanDerWaalsContact C-N 3.27Å; A69-V175 PolarHBondContact N-O 3.31Å; A69-I176 HydrophobicContact CB-CG2 4.13Å
70D93.6Very high96.8Very high111 Ų11158.7 Ų58.759%0.59432%0.319SS*.THydrogen-bonded Turntrans-80.8-11.8175.5-68.1-23.1000111.6D68D68-D70 PolarHBondContact O-N 3.02Å; D68-D70 WeakPolarHBondContact OD1-CB 3.42Å; D68-D70 PolarHBondContact OD1-N 3.11Å; D68-D70 VanDerWaalsContact OD1-N 3.14Å
71G93.4Very high96.7Very high20 Ų2059.9 Ų59.921%0.20632%0.324CS..SBendtrans-88177.4178.900000114.7D65 T66 D68 A69D65-G71 WeakPolarHBondContact OD1-CA 3.49Å; T66-G71 WeakPolarHBondContact OG1-CA 3.48Å; T66-G71 PolarHBondContact OG1-N 2.91Å; T66-G71 VanDerWaalsContact OG1-N 3.11Å; D68-G71 PolarHBondContact O-N 3.32Å; A69-G71 VanDerWaalsContact C-N 3.27Å
72Q95.6Very high96.7Very high153 Ų15361.9 Ų61.972%0.71534%0.338SS*.  trans-94.2139.9174.8-62.9-177.918.200110.3T64 D65 V74T64-Q72 WeakPolarHBondContact CA-O 3.43Å; T64-Q72 WeakPolarHBondContact CB-O 3.34Å; D65-Q72 PolarHBondContact N-O 3.42Å; D65-Q72 VanDerWaalsContact N-O 3.14Å; D65-Q72 PolarHBondContact OD1-N 2.9Å; Q72-V74 PolarHBondContact O-N 2.97Å
73I98.1Very high96.6Very high92 Ų9263.7 Ų63.747%0.47236%0.358SS..EExtended strand (participates in β ladder)trans-63.1121.8173.9-62.1172.3000108.8Q62 R63 T64Q62-I73 HydrophobicContact CG-CD1 4.39Å; R63-I73 CarbonylContact O-C 3.54Å; R63-I73 VanDerWaalsContact O-CA 3.29Å; R63-I73 WeakPolarHBondContact O-CA 3.39Å; T64-I73 HydrophobicContact CG2-CG1 4.32Å
74V96.5Very high96.6Very high87 Ų8767.8 Ų67.853%0.52738%0.38SS..EExtended strand (participates in β ladder)trans-105-26.6178.2-66.40000112.3R63 D65 Q72R63-V74 HydrophobicContact CB-CG2 3.99Å; R63-V74 PolarHBondContact O-N 3.34Å; D65-V74 HydrophobicContact CB-CG1 3.93Å; Q72-V74 PolarHBondContact O-N 2.97Å
75E97.7Very high96.7Very high85 Ų8572.7 Ų72.740%0.39740%0.402SS..EExtended strand (participates in β ladder)trans-147.3144.3178-65.9-179.6-175.900110.2Q62 R63 R77Q62-E75 WeakPolarHBondContact CA-O 3.33Å; R63-E75 HydrophobicContact CB-CB 4.31Å; R63-E75 PolarHBondContact N-O 2.95Å; R63-E75 IonicContact NH1-OE1 3.68Å; R63-E75 IonicContact NH1-OE2 2.73Å; E75-R77 IonicContact OE2-CZ 3.76Å; E75-R77 IonicContact OE2-NE 2.78Å; E75-R77 IonicContact OE2-NH2 3.23Å; E75-R77 PolarHBondContact OE2-NH2 3.21Å
76E98.4Very high96.9Very high135 Ų13570 Ų7063%0.63139%0.388SS*.EExtended strand (participates in β ladder)trans-132.4131.6172.5-170.7166.6114.400109.3G61 Q62G61-E76 CarbonylContact O-C 3.51Å; G61-E76 VanDerWaalsContact O-CA 3.28Å; G61-E76 WeakPolarHBondContact O-CA 3.31Å; G61-E76 WeakPolarHBondContact O-CG 3.24Å; Q62-E76 HydrophobicContact CG-CG 4.01Å; Q62-E76 PolarHBondContact NE2-OE2 3.39Å
77R98.5Very high97.2Very high66 Ų6672 Ų7225%0.24941%0.406CS..  trans-142.1149.2-176.8-79.6174.9-79.4160.8-13.9110.6G61 E75 E167 G170G61-R77 CarbonylContact C-O 3.26Å; G61-R77 WeakPolarHBondContact CA-O 3.29Å; G61-R77 PolarHBondContact O-N 2.85Å; E75-R77 IonicContact OE2-CZ 3.76Å; E75-R77 IonicContact OE2-NE 2.78Å; E75-R77 IonicContact OE2-NH2 3.23Å; E75-R77 PolarHBondContact OE2-NH2 3.21Å; R77-E167 IonicContact CZ-OE1 2.7Å; R77-E167 IonicContact NH1-OE1 2.62Å; R77-E167 PolarHBondContact NH1-OE1 3.15Å; R77-E167 IonicContact NH2-OE1 3.46Å; R77-E167 PolarHBondContact NH2-OE1 3.31Å; R77-E167 IonicContact NH2-OE2 3.56Å; R77-G170 WeakPolarHBondContact CD-O 3.47Å; R77-G170 PolarHBondContact NH1-O 2.87Å
78P98Very high97.3Very high97 Ų9774.5 Ų74.563%0.6343%0.427SS*.  trans-68.8139-18030-35.7000111.4T80P78-T80 HydrophobicContact CB-CG2 3.92Å; P78-T80 HydrophobicContact CG-CG2 4.15Å; P78-T80 PolarHBondContact O-N 3.48Å
79V98.2Very high97.4Very high41 Ų4174.5 Ų74.525%0.24843%0.428CS..  trans-79.7106.9173.2-177.60000108.4L60 F81 C171L60-V79 HydrophobicContact CB-CG1 4.48Å; L60-V79 HydrophobicContact CB-CG2 3.74Å; L60-V79 HydrophobicContact CD1-CG1 4.37Å; V79-F81 HydrophobicContact CG1-CD1 4.04Å; V79-F81 HydrophobicContact CG1-CE1 3.52Å; V79-F81 HydrophobicContact CG1-CZ 3.93Å; V79-C171 HydrophobicContact CG2-CB 4.24Å
80T97Very high97.4Very high110 Ų11072.3 Ų72.368%0.67541%0.409SS*.  trans-130.45.8-16953.80000114.7P78P78-T80 HydrophobicContact CB-CG2 3.92Å; P78-T80 HydrophobicContact CG-CG2 4.15Å; P78-T80 PolarHBondContact O-N 3.48Å
81F97.7Very high97.7Very high25 Ų2571.9 Ų71.911%0.1141%0.407CS..  trans-80154.2-177.660.9-103.8000112.6L60 V79 Q85 L86 H141 L169L60-F81 HydrophobicContact CD1-CE1 3.95Å; L60-F81 HydrophobicContact CD1-CZ 3.56Å; L60-F81 HydrophobicContact CD2-CE1 4.49Å; V79-F81 HydrophobicContact CG1-CD1 4.04Å; V79-F81 HydrophobicContact CG1-CE1 3.52Å; V79-F81 HydrophobicContact CG1-CZ 3.93Å; F81-Q85 HydrophobicContact CB-CB 4.15Å; F81-L86 HydrophobicContact CD2-CB 3.95Å; F81-L86 HydrophobicContact CE2-CB 3.81Å; F81-L86 HydrophobicContact CE2-CD1 4.32Å; F81-L86 HydrophobicContact CE2-CD2 4.07Å; F81-L86 HydrophobicContact CE2-CG 4.28Å; F81-H141 AromaticContact CE2-CE1 3.42Å; F81-H141 VanDerWaalsContact CE2-CE1 3.42Å; F81-H141 WeakPolarHBondContact CE2-CE1 3.2Å; F81-H141 AromaticContact CE2-ND1 3.97Å; F81-H141 AromaticContact CZ-CE1 3.56Å; F81-H141 AromaticContact CZ-NE2 3.78Å; F81-L169 HydrophobicContact CB-CD2 4.17Å; F81-L169 HydrophobicContact CD1-CB 3.72Å; F81-L169 HydrophobicContact CD1-CD1 4.08Å; F81-L169 HydrophobicContact CD1-CD2 4.04Å; F81-L169 HydrophobicContact CD1-CG 4.15Å; F81-L169 HydrophobicContact CD2-CD2 4.26Å; F81-L169 HydrophobicContact CE1-CB 4.09Å; F81-L169 HydrophobicContact CE1-CD1 3.74Å; F81-L169 HydrophobicContact CE1-CD2 4.48Å; F81-L169 HydrophobicContact CE1-CG 4.32Å; F81-L169 HydrophobicContact CG-CB 4.38Å; F81-L169 HydrophobicContact CG-CD2 3.9Å; F81-L169 HydrophobicContact CZ-CD1 4.01Å
82S97.5Very high97.9Very high45 Ų4574.1 Ų74.132%0.31542%0.417SS..  trans-84.5164.8172.786.80000112.4E84 Q85 L86S82-E84 WeakPolarHBondContact CB-OE2 3.34Å; S82-E84 PolarHBondContact O-N 3.36Å; S82-E84 PolarHBondContact OG-N 2.98Å; S82-E84 PolarHBondContact OG-OE2 3.16Å; S82-Q85 PolarHBondContact O-N 3.47Å; S82-Q85 PolarHBondContact OG-N 3.2Å; S82-L86 PolarHBondContact O-N 2.86Å
83A97.4Very high98Very high72 Ų7267.5 Ų67.560%0.59539%0.386SS*.Hα-helixtrans-59.4-34.9175.400000112.3L86 A87A83-L86 PolarHBondContact O-N 2.93Å; A83-A87 WeakPolarHBondContact O-CB 3.24Å; A83-A87 PolarHBondContact O-N 3.24Å
84E98.2Very high98Very high134 Ų13467.6 Ų67.663%0.62638%0.38SS*.Hα-helixtrans-68.3-41176.8-57.472.6-157.100111.5S82 L86 A87 A88S82-E84 WeakPolarHBondContact CB-OE2 3.34Å; S82-E84 PolarHBondContact O-N 3.36Å; S82-E84 PolarHBondContact OG-N 2.98Å; S82-E84 PolarHBondContact OG-OE2 3.16Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-A87 PolarHBondContact O-N 3.28Å; E84-A88 WeakPolarHBondContact O-CB 3.34Å; E84-A88 PolarHBondContact O-N 2.89Å
85Q98.4Very high98.1Very high110 Ų11064.9 Ų64.951%0.51437%0.37SS..Hα-helixtrans-64-40.8174.8-70.9175.9-46.900111.3F81 S82 A89F81-Q85 HydrophobicContact CB-CB 4.15Å; S82-Q85 PolarHBondContact O-N 3.47Å; S82-Q85 PolarHBondContact OG-N 3.2Å; Q85-A89 VanDerWaalsContact O-CB 3.29Å; Q85-A89 WeakPolarHBondContact O-CB 3.17Å; Q85-A89 PolarHBondContact O-N 2.91Å
86L98.6Very high98.1Very high6 Ų667.2 Ų67.23%0.03139%0.385CS..Hα-helixtrans-60.7-50.6172.9177.260.6000111.5F81 S82 A83 E84 A88 A89 L90 F138 H141 L146 L169F81-L86 HydrophobicContact CD2-CB 3.95Å; F81-L86 HydrophobicContact CE2-CB 3.81Å; F81-L86 HydrophobicContact CE2-CD1 4.32Å; F81-L86 HydrophobicContact CE2-CD2 4.07Å; F81-L86 HydrophobicContact CE2-CG 4.28Å; S82-L86 PolarHBondContact O-N 2.86Å; A83-L86 PolarHBondContact O-N 2.93Å; E84-L86 VanDerWaalsContact C-N 3.34Å; L86-A88 VanDerWaalsContact C-N 3.34Å; L86-A88 PolarHBondContact O-N 2.66Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-L90 HydrophobicContact CD1-CD1 4.09Å; L86-L90 HydrophobicContact CD1-CD2 4.44Å; L86-L90 HydrophobicContact CD1-CG 4.02Å; L86-L90 HydrophobicContact CG-CD1 4.07Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.26Å; L86-L90 PolarHBondContact O-N 3.34Å; L86-F138 HydrophobicContact CD2-CD2 4.39Å; L86-F138 HydrophobicContact CD2-CE2 3.84Å; L86-H141 HydrophobicContact CD2-CB 4.31Å; L86-L146 HydrophobicContact CD1-CD1 4.41Å; L86-L146 HydrophobicContact CD1-CD2 3.89Å; L86-L146 HydrophobicContact CD2-CD1 4.02Å; L86-L169 HydrophobicContact CD1-CD1 3.8Å; L86-L169 HydrophobicContact CD1-CD2 4.48Å
87A98.4Very high98.1Very high57 Ų5762.4 Ų62.447%0.47136%0.364SS..Hα-helixtrans-58.8-45.1179.900000112A83 E84 L90 D91A83-A87 WeakPolarHBondContact O-CB 3.24Å; A83-A87 PolarHBondContact O-N 3.24Å; E84-A87 PolarHBondContact O-N 3.28Å; A87-L90 PolarHBondContact O-N 2.93Å; A87-D91 PolarHBondContact O-N 2.72Å; A87-D91 VanDerWaalsContact O-N 3.14Å
88A98.5Very high98.1Very high62 Ų6265 Ų6551%0.51238%0.378SS..Hα-helixtrans-64.3-39.8176.500000112.2E84 L86 D91E84-A88 WeakPolarHBondContact O-CB 3.34Å; E84-A88 PolarHBondContact O-N 2.89Å; L86-A88 VanDerWaalsContact C-N 3.34Å; L86-A88 PolarHBondContact O-N 2.66Å; A88-D91 PolarHBondContact O-N 3.11Å
89A98.5Very high98Very high7 Ų760.6 Ų60.66%0.05835%0.349CS..Hα-helixtrans-64.4-47177.100000111.6Q85 L86 D91 T92 F93 L165 K168 L169Q85-A89 VanDerWaalsContact O-CB 3.29Å; Q85-A89 WeakPolarHBondContact O-CB 3.17Å; Q85-A89 PolarHBondContact O-N 2.91Å; L86-A89 PolarHBondContact O-N 3.41Å; A89-D91 PolarHBondContact O-N 3.12Å; A89-T92 PolarHBondContact O-N 3.44Å; A89-T92 VanDerWaalsContact O-N 3.15Å; A89-T92 PolarHBondContact O-OG1 3.28Å; A89-F93 VanDerWaalsContact O-CD2 3.26Å; A89-F93 WeakPolarHBondContact O-CD2 3.37Å; A89-L165 HydrophobicContact CB-CD1 3.77Å; A89-K168 HydrophobicContact CB-CD 3.77Å; A89-K168 HydrophobicContact CB-CG 4.02Å; A89-L169 HydrophobicContact CB-CD2 3.73Å; A89-L169 HydrophobicContact CB-CG 4.21Å
90L98.6Very high97.8Very high4 Ų463 Ų632%0.02136%0.36CS..Hα-helixtrans-58.1-35.5177-68.9174.8000112.4L86 A87 T92 F93 L136 F138 L148 L165L86-L90 HydrophobicContact CD1-CD1 4.09Å; L86-L90 HydrophobicContact CD1-CD2 4.44Å; L86-L90 HydrophobicContact CD1-CG 4.02Å; L86-L90 HydrophobicContact CG-CD1 4.07Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.26Å; L86-L90 PolarHBondContact O-N 3.34Å; A87-L90 PolarHBondContact O-N 2.93Å; L90-T92 VanDerWaalsContact C-N 3.25Å; L90-T92 PolarHBondContact O-N 3.17Å; L90-F93 PolarHBondContact O-N 3.14Å; L90-F93 VanDerWaalsContact O-N 3.17Å; L90-L136 HydrophobicContact CB-CD2 4.43Å; L90-L136 HydrophobicContact CD2-CD1 4.49Å; L90-L136 HydrophobicContact CD2-CD2 3.92Å; L90-F138 HydrophobicContact CD1-CB 4.19Å; L90-F138 HydrophobicContact CD1-CD2 4.01Å; L90-F138 HydrophobicContact CD1-CG 4.5Å; L90-L148 HydrophobicContact CD1-CD2 4.22Å; L90-L148 HydrophobicContact CD2-CD1 3.9Å; L90-L148 HydrophobicContact CD2-CD2 3.92Å; L90-L165 HydrophobicContact CD2-CD1 4.04Å; L90-L165 HydrophobicContact CD2-CD2 3.61Å
91D98.3Very high97.5Very high101 Ų10157.9 Ų57.954%0.5433%0.329SS..Hα-helixtrans-62.9-33.1179.4-15654000113.4A87 A88 A89 F93 R94A87-D91 PolarHBondContact O-N 2.72Å; A87-D91 VanDerWaalsContact O-N 3.14Å; A88-D91 PolarHBondContact O-N 3.11Å; A89-D91 PolarHBondContact O-N 3.12Å; D91-F93 PolarHBondContact O-N 3.35Å; D91-R94 PolarHBondContact O-N 3.15Å; D91-R94 IonicContact OD1-CZ 3.75Å; D91-R94 IonicContact OD1-NH1 3.12Å; D91-R94 PolarHBondContact OD1-NH1 3.38Å
92T98Very high97.2Very high67 Ų6757.3 Ų57.341%0.41133%0.328SS..THydrogen-bonded Turntrans-72.4-7.9178.266.50000114.8A89 L90 K168A89-T92 PolarHBondContact O-N 3.44Å; A89-T92 VanDerWaalsContact O-N 3.15Å; A89-T92 PolarHBondContact O-OG1 3.28Å; L90-T92 VanDerWaalsContact C-N 3.25Å; L90-T92 PolarHBondContact O-N 3.17Å; T92-K168 WeakPolarHBondContact OG1-CD 3.42Å; T92-K168 WeakPolarHBondContact OG1-CE 3.44Å; T92-K168 PolarHBondContact OG1-NZ 3.32Å
93F98.3Very high96.9Very high15 Ų1556 Ų567%0.06632%0.317CS..THydrogen-bonded Turntrans-1018.1175.7-69.5-84.3000112.9A89 L90 D91 I97 V133 L136 I161 D164 L165 K168A89-F93 VanDerWaalsContact O-CD2 3.26Å; A89-F93 WeakPolarHBondContact O-CD2 3.37Å; L90-F93 PolarHBondContact O-N 3.14Å; L90-F93 VanDerWaalsContact O-N 3.17Å; D91-F93 PolarHBondContact O-N 3.35Å; F93-I97 HydrophobicContact CD1-CD1 4.06Å; F93-V133 WeakPolarHBondContact O-CB 3.45Å; F93-V133 WeakPolarHBondContact O-CG1 3.44Å; F93-V133 VanDerWaalsContact O-CG2 3.26Å; F93-V133 WeakPolarHBondContact O-CG2 3.31Å; F93-L136 HydrophobicContact CB-CD1 3.74Å; F93-I161 HydrophobicContact CD1-CG2 4.05Å; F93-I161 HydrophobicContact CG-CG2 4.39Å; F93-D164 HydrophobicContact CE1-CB 3.76Å; F93-D164 HydrophobicContact CZ-CB 3.74Å; F93-L165 HydrophobicContact CD2-CD1 4.18Å; F93-L165 HydrophobicContact CE2-CB 3.89Å; F93-L165 HydrophobicContact CE2-CD1 3.8Å; F93-L165 HydrophobicContact CE2-CG 4.46Å; F93-L165 HydrophobicContact CZ-CB 4.09Å; F93-K168 HydrophobicContact CE2-CD 4.19Å
94R98.2Very high96.6Very high93 Ų9355 Ų5535%0.35130%0.298SS..SBendtrans-95.1148176.7-64.5-174.7177.796.311.2111.2D91 L136D91-R94 PolarHBondContact O-N 3.15Å; D91-R94 IonicContact OD1-CZ 3.75Å; D91-R94 IonicContact OD1-NH1 3.12Å; D91-R94 PolarHBondContact OD1-NH1 3.38Å; R94-L136 HydrophobicContact CG-CB 3.93Å; R94-L136 PolarHBondContact NE-O 3.46Å; R94-L136 PolarHBondContact NH2-O 2.93Å
95G98.4Very high96.2Very high31 Ų3148.8 Ų48.832%0.3227%0.269SS..EExtended strand (participates in β ladder)trans80.1-151178.700000113.1T132 V133G95-T132 WeakPolarHBondContact O-CA 3.41Å; G95-V133 PolarHBondContact N-O 3.3Å; G95-V133 PolarHBondContact O-N 3.48Å
96D98.4Very high95.7Very high133 Ų13346.3 Ų46.371%0.71127%0.267SS*.EExtended strand (participates in β ladder)trans-83118.2-178-64.1-30.5000110.5I131 T132D96-I131 WeakPolarHBondContact CA-O 3.5Å; D96-T132 WeakPolarHBondContact OD1-CB 3.38Å; D96-T132 VanDerWaalsContact OD1-CG2 3.23Å; D96-T132 WeakPolarHBondContact OD1-CG2 3.24Å; D96-T132 PolarHBondContact OD1-OG1 3.19Å
97I97.5Very high95.3Very high35 Ų3547.6 Ų47.618%0.17927%0.274CS..EExtended strand (participates in β ladder)trans-135.5157.1-179.265.5176.4000111.1F93 I131 V133F93-I97 HydrophobicContact CD1-CD1 4.06Å; I97-I131 HydrophobicContact CD1-CD1 3.98Å; I97-I131 HydrophobicContact CD1-CG1 4.24Å; I97-I131 HydrophobicContact CG1-CD1 3.87Å; I97-I131 HydrophobicContact CG1-CG1 3.55Å; I97-I131 PolarHBondContact N-O 3.41Å; I97-I131 PolarHBondContact O-N 2.92Å; I97-V133 HydrophobicContact CD1-CG2 4.31Å
98E97.5Very high95.1Very high120 Ų12051.7 Ų51.756%0.56128%0.281SS*.EExtended strand (participates in β ladder)trans-92.5126172.6-73.5-62.9137.200109.7A128 R129E98-A128 HydrophobicContact CB-CB 4.15Å; E98-A128 WeakPolarHBondContact OE2-CB 3.12Å; E98-R129 PolarHBondContact OE2-N 3.37Å
99Q97.3Very high94.8Very high5 Ų552.4 Ų52.42%0.02327%0.271CS..EExtended strand (participates in β ladder)trans-119.1130.7178.6-177.5174.875.400110.8P101 A128 R129 I131 Y157 T160Q99-P101 WeakPolarHBondContact O-CD 3.34Å; Q99-A128 WeakPolarHBondContact O-CA 3.26Å; Q99-R129 PolarHBondContact N-O 2.92Å; Q99-R129 PolarHBondContact O-N 2.87Å; Q99-I131 HydrophobicContact CB-CD1 3.78Å; Q99-I131 HydrophobicContact CB-CG1 4.04Å; Q99-I131 HydrophobicContact CB-CG2 4.46Å; Q99-I131 HydrophobicContact CG-CD1 4.37Å; Q99-Y157 PolarHBondContact NE2-O 2.87Å; Q99-T160 HydrophobicContact CG-CG2 3.53Å
100I94.4Very high94.6Very high90 Ų9059.6 Ų59.646%0.46230%0.304SS..  trans-88.8112.1169.9-59.8174.4000108.3R126 A128 T160I100-R126 HydrophobicContact CG2-CB 4Å; I100-A128 HydrophobicContact CG1-CB 3.92Å; I100-T160 WeakPolarHBondContact O-CG2 3.35Å
101P90.8Very high94.4Very high4 Ų462.2 Ų62.23%0.02633%0.332CS..  trans-59.8147.2-179-24.335.7000112.1Q99 L107 R126 E127 Y157Q99-P101 WeakPolarHBondContact O-CD 3.34Å; P101-L107 HydrophobicContact CB-CD1 3.49Å; P101-L107 VanDerWaalsContact CB-CD1 3.49Å; P101-L107 HydrophobicContact CG-CD1 3.42Å; P101-L107 VanDerWaalsContact CG-CD1 3.42Å; P101-R126 VanDerWaalsContact O-CD 3.27Å; P101-R126 WeakPolarHBondContact O-CD 3.22Å; P101-R126 PolarHBondContact O-NH1 2.96Å; P101-E127 WeakPolarHBondContact CD-O 3.4Å; P101-Y157 HydrophobicContact CB-CD2 3.97Å; P101-Y157 HydrophobicContact CB-CE2 3.77Å; P101-Y157 HydrophobicContact CG-CD2 4.4Å; P101-Y157 HydrophobicContact CG-CE2 4.15Å
102S89.8Confident94.2Very high13 Ų1359.8 Ų59.89%0.09132%0.316CS..  trans-63.5152.5172.1177.50000112.3Y104 S105S102-Y104 PolarHBondContact O-N 3.27Å; S102-Y104 PolarHBondContact OG-N 3.02Å; S102-Y104 VanDerWaalsContact OG-N 3.15Å; S102-S105 VanDerWaalsContact O-CB 3.29Å; S102-S105 WeakPolarHBondContact O-CB 3.34Å; S102-S105 PolarHBondContact O-N 3.44Å; S102-S105 PolarHBondContact O-OG 2.93Å
103M92.3Very high94Very high17 Ų1760 Ų608%0.08431%0.311CS..SBendtrans-57.6-30.2167.5-79.6-59.6-60.600111.5S105 L114 Y115 A118 I122 E123 V124 R126M103-S105 PolarHBondContact O-N 2.81Å; M103-L114 CarbonylContact O-C 3.49Å; M103-L114 WeakPolarHBondContact O-CB 3.36Å; M103-Y115 VanDerWaalsContact O-CA 3.28Å; M103-Y115 WeakPolarHBondContact O-CA 3.45Å; M103-Y115 PolarHBondContact O-N 3.36Å; M103-A118 HydrophobicContact CB-CB 3.89Å; M103-A118 HydrophobicContact CE-CB 4.33Å; M103-I122 WeakPolarHBondContact CE-O 3.37Å; M103-E123 HydrophobicContact SD-CG 4.42Å; M103-V124 HydrophobicContact CE-CG2 4.04Å; M103-V124 HydrophobicContact SD-CG2 3.93Å; M103-R126 HydrophobicContact SD-CG 4.34Å
104Y90.8Very high93.8Very high52 Ų5259.6 Ų59.620%0.20431%0.31CS..SBendtrans-84.751.3176-71-84.5000112.7D65 T66 S102 A118 R119 R159D65-Y104 HydrophobicContact CB-CE2 4.45Å; D65-Y104 VanDerWaalsContact O-CD2 3.25Å; D65-Y104 WeakPolarHBondContact O-CD2 3.3Å; D65-Y104 WeakPolarHBondContact O-CE2 3.49Å; D65-Y104 PolarHBondContact OD2-OH 2.92Å; T66-Y104 HydrophobicContact CG2-CD1 3.96Å; T66-Y104 HydrophobicContact CG2-CD2 3.89Å; T66-Y104 HydrophobicContact CG2-CE1 3.88Å; T66-Y104 HydrophobicContact CG2-CE2 3.78Å; T66-Y104 HydrophobicContact CG2-CG 3.94Å; S102-Y104 PolarHBondContact O-N 3.27Å; S102-Y104 PolarHBondContact OG-N 3.02Å; S102-Y104 VanDerWaalsContact OG-N 3.15Å; Y104-A118 HydrophobicContact CD1-CB 3.93Å; Y104-A118 HydrophobicContact CD2-CB 4.12Å; Y104-A118 HydrophobicContact CE1-CB 3.78Å; Y104-A118 HydrophobicContact CE2-CB 4Å; Y104-A118 HydrophobicContact CG-CB 4.12Å; Y104-R119 HydrophobicContact CE1-CG 4.44Å; Y104-R159 PolarHBondContact O-NH2 3.41Å
105S89.8Confident93.4Very high3 Ų358.2 Ų58.22%0.02131%0.305CS..SBendtrans-123.2162.1178.868.20000112.9S102 M103 L107 L114 Y115 Y157S102-S105 VanDerWaalsContact O-CB 3.29Å; S102-S105 WeakPolarHBondContact O-CB 3.34Å; S102-S105 PolarHBondContact O-N 3.44Å; S102-S105 PolarHBondContact O-OG 2.93Å; M103-S105 PolarHBondContact O-N 2.81Å; S105-L107 PolarHBondContact O-N 2.81Å; S105-L114 WeakPolarHBondContact OG-CD1 3.34Å; S105-Y115 WeakPolarHBondContact O-CD1 3.34Å; S105-Y115 PolarHBondContact O-N 2.91Å; S105-Y115 VanDerWaalsContact O-N 3.15Å; S105-Y157 VanDerWaalsContact CB-CE1 3.47Å
106A88.2Confident93.2Very high57 Ų5760 Ų6047%0.47131%0.305SS..SBendtrans-80.80.8177.800000114
107L90.4Very high93Very high34 Ų3455.1 Ų55.118%0.17828%0.277CS..  trans-62.2154.2174.4-64.4178.5000110.4P101 S105 K113 L114 R129 Y157P101-L107 HydrophobicContact CB-CD1 3.49Å; P101-L107 VanDerWaalsContact CB-CD1 3.49Å; P101-L107 HydrophobicContact CG-CD1 3.42Å; P101-L107 VanDerWaalsContact CG-CD1 3.42Å; S105-L107 PolarHBondContact O-N 2.81Å; L107-K113 CarbonylContact O-C 3.51Å; L107-K113 WeakPolarHBondContact O-CA 3.5Å; L107-L114 HydrophobicContact CB-CD1 3.93Å; L107-L114 HydrophobicContact CB-CG 4.21Å; L107-L114 PolarHBondContact O-N 2.94Å; L107-R129 VanDerWaalsContact CD2-NH1 3.26Å; L107-Y157 HydrophobicContact CD1-CE2 4.17Å; L107-Y157 WeakPolarHBondContact CG-OH 3.26Å
108K92.2Very high92.8Very high142 Ų14254 Ų5462%0.61727%0.274SS*.EExtended strand (participates in β ladder)trans-106.6139-179.1-67.1-177.5174.2-170.30111.4K112 K113K108-K112 CarbonylContact C-O 3.54Å; K108-K112 WeakPolarHBondContact CA-O 3.3Å; K108-K113 HydrophobicContact CG-CG 4.13Å
109Y94.2Very high92.5Very high77 Ų7757.3 Ų57.330%0.30228%0.281SS..EExtended strand (participates in β ladder)trans-121.9125.4165-178.6-101.9000107.6G111 K112 Y117 V124Y109-G111 PolarHBondContact O-N 2.76Å; Y109-G111 VanDerWaalsContact O-N 3.09Å; Y109-K112 PolarHBondContact N-O 2.87Å; Y109-K112 PolarHBondContact O-N 2.94Å; Y109-K112 VanDerWaalsContact O-N 3.08Å; Y109-K112 VanDerWaalsContact O-O 3.06Å; Y109-Y117 HydrophobicContact CD1-CE2 4.3Å; Y109-Y117 PolarHBondContact O-OH 3.04Å; Y109-V124 HydrophobicContact CD1-CB 3.87Å; Y109-V124 HydrophobicContact CD1-CG1 3.9Å; Y109-V124 HydrophobicContact CD1-CG2 4.01Å; Y109-V124 HydrophobicContact CD2-CG2 4.5Å; Y109-V124 HydrophobicContact CE1-CB 4.01Å; Y109-V124 HydrophobicContact CE1-CG1 4.06Å; Y109-V124 HydrophobicContact CG-CB 4.22Å; Y109-V124 HydrophobicContact CG-CG2 3.94Å
110Q94.2Very high92.3Very high159 Ų15962.7 Ų62.774%0.74331%0.306SS*.THydrogen-bonded Turntrans48.339.8-176.7-61.4-178.5-9.300113.8K112Q110-K112 VanDerWaalsContact C-N 3.32Å; Q110-K112 PolarHBondContact O-N 2.9Å
111G93.5Very high92.2Very high59 Ų5961.9 Ų61.961%0.60832%0.32SS*.THydrogen-bonded Turntrans86.1-1817700000116.1Y109Y109-G111 PolarHBondContact O-N 2.76Å; Y109-G111 VanDerWaalsContact O-N 3.09Å
112K94.6Very high92.3Very high49 Ų4965.4 Ų65.421%0.21334%0.338CS..EExtended strand (participates in β ladder)trans-100.4148.2178.8-168.2-171.1-167.5-147.20110.8K108 Y109 Q110 E116 Y117K108-K112 CarbonylContact C-O 3.54Å; K108-K112 WeakPolarHBondContact CA-O 3.3Å; Y109-K112 PolarHBondContact N-O 2.87Å; Y109-K112 PolarHBondContact O-N 2.94Å; Y109-K112 VanDerWaalsContact O-N 3.08Å; Y109-K112 VanDerWaalsContact O-O 3.06Å; Q110-K112 VanDerWaalsContact C-N 3.32Å; Q110-K112 PolarHBondContact O-N 2.9Å; K112-E116 HydrophobicContact CD-CB 4.04Å; K112-E116 WeakPolarHBondContact CE-OE1 3.48Å; K112-E116 HydrophobicContact CG-CB 3.96Å; K112-E116 HydrophobicContact CG-CG 4.35Å; K112-E116 WeakPolarHBondContact CG-OE2 3.45Å; K112-E116 PolarHBondContact NZ-O 2.79Å; K112-E116 VanDerWaalsContact NZ-O 3.11Å; K112-Y117 HydrophobicContact CB-CE2 3.67Å; K112-Y117 HydrophobicContact CD-CD2 4.27Å; K112-Y117 HydrophobicContact CD-CE1 4.2Å; K112-Y117 HydrophobicContact CD-CE2 3.86Å; K112-Y117 HydrophobicContact CG-CE2 4.04Å
113K93.5Very high92.5Very high71 Ų7171.7 Ų71.731%0.30937%0.366SS..EExtended strand (participates in β ladder)trans-75.9147.2-178.2-57.8177.3-169.6170.60111.6L107 K108 Y115 E116 Y117L107-K113 CarbonylContact O-C 3.51Å; L107-K113 WeakPolarHBondContact O-CA 3.5Å; K108-K113 HydrophobicContact CG-CG 4.13Å; K113-Y115 VanDerWaalsContact C-N 3.31Å; K113-Y115 HydrophobicContact CB-CD1 3.97Å; K113-Y115 HydrophobicContact CB-CE1 3.79Å; K113-Y115 HydrophobicContact CD-CD1 4.18Å; K113-Y115 HydrophobicContact CD-CE1 3.23Å; K113-Y115 WeakPolarHBondContact CD-OH 3.32Å; K113-Y115 HydrophobicContact CG-CE1 4.19Å; K113-Y115 PolarHBondContact NZ-OH 3.43Å; K113-Y115 VanDerWaalsContact NZ-OH 3.08Å; K113-Y115 PolarHBondContact O-N 3.28Å; K113-E116 HydrophobicContact CB-CG 4.17Å; K113-E116 WeakPolarHBondContact CB-OE2 3.34Å; K113-E116 PolarHBondContact N-OE2 3.15Å; K113-E116 WeakPolarHBondContact O-CB 3.5Å; K113-E116 PolarHBondContact O-N 3.36Å; K113-Y117 WeakPolarHBondContact O-CD2 3.34Å
114L93.6Very high92.6Very high7 Ų771.4 Ų71.44%0.03737%0.365CS..Hα-helixtrans-57.6-41.7-177.7-68.8-174.5000112.1M103 S105 L107 E116 Y117 A118 V124 R126M103-L114 CarbonylContact O-C 3.49Å; M103-L114 WeakPolarHBondContact O-CB 3.36Å; S105-L114 WeakPolarHBondContact OG-CD1 3.34Å; L107-L114 HydrophobicContact CB-CD1 3.93Å; L107-L114 HydrophobicContact CB-CG 4.21Å; L107-L114 PolarHBondContact O-N 2.94Å; L114-E116 PolarHBondContact O-N 2.88Å; L114-E116 VanDerWaalsContact O-N 3.07Å; L114-Y117 WeakPolarHBondContact O-CB 3.32Å; L114-Y117 PolarHBondContact O-N 3.27Å; L114-A118 PolarHBondContact O-N 3.11Å; L114-V124 HydrophobicContact CD2-CG2 3.34Å; L114-R126 HydrophobicContact CD1-CG 3.92Å
115Y90.4Very high92.7Very high65 Ų6573.7 Ų73.726%0.25539%0.386SS..Hα-helixtrans-61.7-23.117971.8-110.4000113.1M103 S105 K113 R119M103-Y115 VanDerWaalsContact O-CA 3.28Å; M103-Y115 WeakPolarHBondContact O-CA 3.45Å; M103-Y115 PolarHBondContact O-N 3.36Å; S105-Y115 WeakPolarHBondContact O-CD1 3.34Å; S105-Y115 PolarHBondContact O-N 2.91Å; S105-Y115 VanDerWaalsContact O-N 3.15Å; K113-Y115 VanDerWaalsContact C-N 3.31Å; K113-Y115 HydrophobicContact CB-CD1 3.97Å; K113-Y115 HydrophobicContact CB-CE1 3.79Å; K113-Y115 HydrophobicContact CD-CD1 4.18Å; K113-Y115 HydrophobicContact CD-CE1 3.23Å; K113-Y115 WeakPolarHBondContact CD-OH 3.32Å; K113-Y115 HydrophobicContact CG-CE1 4.19Å; K113-Y115 PolarHBondContact NZ-OH 3.43Å; K113-Y115 VanDerWaalsContact NZ-OH 3.08Å; K113-Y115 PolarHBondContact O-N 3.28Å; Y115-R119 WeakPolarHBondContact O-CB 3.35Å; Y115-R119 VanDerWaalsContact O-CG 3.24Å; Y115-R119 WeakPolarHBondContact O-CG 3.38Å; Y115-R119 PolarHBondContact O-N 3.48Å; Y115-R119 VanDerWaalsContact O-N 3.11Å
116E93.4Very high92.9Very high67 Ų6776.9 Ų76.931%0.31340%0.398SS..Hα-helixtrans-78.5-23.6177.3-54.2175.467.900112.3K112 K113 L114 Q120K112-E116 HydrophobicContact CD-CB 4.04Å; K112-E116 WeakPolarHBondContact CE-OE1 3.48Å; K112-E116 HydrophobicContact CG-CB 3.96Å; K112-E116 HydrophobicContact CG-CG 4.35Å; K112-E116 WeakPolarHBondContact CG-OE2 3.45Å; K112-E116 PolarHBondContact NZ-O 2.79Å; K112-E116 VanDerWaalsContact NZ-O 3.11Å; K113-E116 HydrophobicContact CB-CG 4.17Å; K113-E116 WeakPolarHBondContact CB-OE2 3.34Å; K113-E116 PolarHBondContact N-OE2 3.15Å; K113-E116 WeakPolarHBondContact O-CB 3.5Å; K113-E116 PolarHBondContact O-N 3.36Å; L114-E116 PolarHBondContact O-N 2.88Å; L114-E116 VanDerWaalsContact O-N 3.07Å; E116-Q120 VanDerWaalsContact O-CD 3.31Å; E116-Q120 VanDerWaalsContact O-CG 3.31Å; E116-Q120 WeakPolarHBondContact O-CG 3.36Å
117Y95.4Very high93.1Very high31 Ų3181.9 Ų81.912%0.12241%0.411CS..Hα-helixtrans-79.3-43.3168.6-68.9-81.2000110.4Y109 K112 K113 L114 R119 Q120 G121 I122 V124Y109-Y117 HydrophobicContact CD1-CE2 4.3Å; Y109-Y117 PolarHBondContact O-OH 3.04Å; K112-Y117 HydrophobicContact CB-CE2 3.67Å; K112-Y117 HydrophobicContact CD-CD2 4.27Å; K112-Y117 HydrophobicContact CD-CE1 4.2Å; K112-Y117 HydrophobicContact CD-CE2 3.86Å; K112-Y117 HydrophobicContact CG-CE2 4.04Å; K113-Y117 WeakPolarHBondContact O-CD2 3.34Å; L114-Y117 WeakPolarHBondContact O-CB 3.32Å; L114-Y117 PolarHBondContact O-N 3.27Å; Y117-R119 VanDerWaalsContact C-N 3.33Å; Y117-R119 PolarHBondContact O-N 3.48Å; Y117-Q120 CarbonylContact O-C 3.51Å; Y117-Q120 WeakPolarHBondContact O-CA 3.25Å; Y117-Q120 WeakPolarHBondContact O-CB 3.23Å; Y117-Q120 PolarHBondContact O-N 3.08Å; Y117-G121 PolarHBondContact O-N 3.06Å; Y117-I122 CarbonylContact C-O 3.37Å; Y117-I122 WeakPolarHBondContact CB-O 3.49Å; Y117-I122 HydrophobicContact CD1-CB 4.3Å; Y117-I122 HydrophobicContact CD1-CG2 4.02Å; Y117-I122 PolarHBondContact O-N 2.64Å; Y117-V124 HydrophobicContact CD1-CG1 3.94Å; Y117-V124 HydrophobicContact CD2-CG1 4.44Å; Y117-V124 HydrophobicContact CE1-CG1 4.26Å; Y117-V124 HydrophobicContact CG-CG1 4.03Å
118A92Very high93.3Very high13 Ų1382.5 Ų82.511%0.10742%0.421CS..Hα-helixtrans-54.2-47.4177.400000112.1M103 Y104 L114 Q120 G121M103-A118 HydrophobicContact CB-CB 3.89Å; M103-A118 HydrophobicContact CE-CB 4.33Å; Y104-A118 HydrophobicContact CD1-CB 3.93Å; Y104-A118 HydrophobicContact CD2-CB 4.12Å; Y104-A118 HydrophobicContact CE1-CB 3.78Å; Y104-A118 HydrophobicContact CE2-CB 4Å; Y104-A118 HydrophobicContact CG-CB 4.12Å; L114-A118 PolarHBondContact O-N 3.11Å; A118-Q120 PolarHBondContact O-N 3.05Å; A118-Q120 VanDerWaalsContact O-N 3.12Å; A118-G121 PolarHBondContact O-N 2.96Å
119R91.8Very high93.5Very high189 Ų18981.2 Ų81.271%0.71341%0.413SS*.THydrogen-bonded Turntrans-64.2-15.4176.3-73173.5-179.3-173-1.2114.4Y104 Y115 Y117Y104-R119 HydrophobicContact CE1-CG 4.44Å; Y115-R119 WeakPolarHBondContact O-CB 3.35Å; Y115-R119 VanDerWaalsContact O-CG 3.24Å; Y115-R119 WeakPolarHBondContact O-CG 3.38Å; Y115-R119 PolarHBondContact O-N 3.48Å; Y115-R119 VanDerWaalsContact O-N 3.11Å; Y117-R119 VanDerWaalsContact C-N 3.33Å; Y117-R119 PolarHBondContact O-N 3.48Å
120Q93.5Very high93.7Very high117 Ų11782.5 Ų82.555%0.54743%0.43SS..THydrogen-bonded Turntrans-97.11.9174.5-64.6175.9-10.600111.9E116 Y117 A118 I122E116-Q120 VanDerWaalsContact O-CD 3.31Å; E116-Q120 VanDerWaalsContact O-CG 3.31Å; E116-Q120 WeakPolarHBondContact O-CG 3.36Å; Y117-Q120 CarbonylContact O-C 3.51Å; Y117-Q120 WeakPolarHBondContact O-CA 3.25Å; Y117-Q120 WeakPolarHBondContact O-CB 3.23Å; Y117-Q120 PolarHBondContact O-N 3.08Å; A118-Q120 PolarHBondContact O-N 3.05Å; A118-Q120 VanDerWaalsContact O-N 3.12Å; Q120-I122 HydrophobicContact CB-CD1 3.95Å; Q120-I122 HydrophobicContact CB-CG1 4.01Å; Q120-I122 PolarHBondContact O-N 3.22Å
121G91.8Very high93.8Very high74 Ų7475.3 Ų75.376%0.76340%0.397SS*.THydrogen-bonded Turntrans69.316.8-173.100000113.6Y117 A118Y117-G121 PolarHBondContact O-N 3.06Å; A118-G121 PolarHBondContact O-N 2.96Å
122I93.8Very high94.1Very high78 Ų7874 Ų7440%0.438%0.378SS..  trans-97.3117.8-178.2-59.4173.4000108.5M103 Y117 Q120 V124M103-I122 WeakPolarHBondContact CE-O 3.37Å; Y117-I122 CarbonylContact C-O 3.37Å; Y117-I122 WeakPolarHBondContact CB-O 3.49Å; Y117-I122 HydrophobicContact CD1-CB 4.3Å; Y117-I122 HydrophobicContact CD1-CG2 4.02Å; Y117-I122 PolarHBondContact O-N 2.64Å; Q120-I122 HydrophobicContact CB-CD1 3.95Å; Q120-I122 HydrophobicContact CB-CG1 4.01Å; Q120-I122 PolarHBondContact O-N 3.22Å; I122-V124 HydrophobicContact CG2-CG1 4.14Å
123E93.3Very high94.3Very high144 Ų14471.8 Ų71.867%0.67337%0.368SS*.  trans-87.3137168.7-173.7159.2-157.900110.6M103 R126M103-E123 HydrophobicContact SD-CG 4.42Å; E123-R126 IonicContact OE1-CZ 2.76Å; E123-R126 IonicContact OE1-NH2 3.87Å; E123-R126 PolarHBondContact OE1-NH2 3.18Å
124V93.6Very high94.5Very high12 Ų1274.4 Ų74.47%0.07338%0.377CS..  trans-124.7152.9175.4-57.30000110.2M103 Y109 L114 Y117 I122 R126M103-V124 HydrophobicContact CE-CG2 4.04Å; M103-V124 HydrophobicContact SD-CG2 3.93Å; Y109-V124 HydrophobicContact CD1-CB 3.87Å; Y109-V124 HydrophobicContact CD1-CG1 3.9Å; Y109-V124 HydrophobicContact CD1-CG2 4.01Å; Y109-V124 HydrophobicContact CD2-CG2 4.5Å; Y109-V124 HydrophobicContact CE1-CB 4.01Å; Y109-V124 HydrophobicContact CE1-CG1 4.06Å; Y109-V124 HydrophobicContact CG-CB 4.22Å; Y109-V124 HydrophobicContact CG-CG2 3.94Å; L114-V124 HydrophobicContact CD2-CG2 3.34Å; Y117-V124 HydrophobicContact CD1-CG1 3.94Å; Y117-V124 HydrophobicContact CD2-CG1 4.44Å; Y117-V124 HydrophobicContact CE1-CG1 4.26Å; Y117-V124 HydrophobicContact CG-CG1 4.03Å; I122-V124 HydrophobicContact CG2-CG1 4.14Å; V124-R126 PolarHBondContact O-N 2.93Å
125P93.2Very high94.7Very high100 Ų10077.7 Ų77.765%0.64939%0.392SS*.  trans-58.5137.3175.1-23.634000111.9
126R93.8Very high95.1Very high70 Ų7074.8 Ų74.826%0.26438%0.381SS..  trans-130.5119.3-179.7-66.3165.5-73153.8-7.2108.2I100 P101 M103 L114 E123 V124I100-R126 HydrophobicContact CG2-CB 4Å; P101-R126 VanDerWaalsContact O-CD 3.27Å; P101-R126 WeakPolarHBondContact O-CD 3.22Å; P101-R126 PolarHBondContact O-NH1 2.96Å; M103-R126 HydrophobicContact SD-CG 4.34Å; L114-R126 HydrophobicContact CD1-CG 3.92Å; E123-R126 IonicContact OE1-CZ 2.76Å; E123-R126 IonicContact OE1-NH2 3.87Å; E123-R126 PolarHBondContact OE1-NH2 3.18Å; V124-R126 PolarHBondContact O-N 2.93Å
127E92.3Very high95.4Very high161 Ų16174.6 Ų74.675%0.75238%0.382SS*.  trans-72.8141.2174.8-65.2175.1163.300110P101P101-E127 WeakPolarHBondContact CD-O 3.4Å
128A95.8Very high95.5Very high47 Ų4778 Ų7839%0.38840%0.397SS..  trans-63.1145.7166.100000109.6E98 Q99 I100E98-A128 HydrophobicContact CB-CB 4.15Å; E98-A128 WeakPolarHBondContact OE2-CB 3.12Å; Q99-A128 WeakPolarHBondContact O-CA 3.26Å; I100-A128 HydrophobicContact CG1-CB 3.92Å
129R95.9Very high95.9Very high116 Ų11680.3 Ų80.344%0.43841%0.407SS..EExtended strand (participates in β ladder)trans-128.8142.8-179.5-63.1-179.6177.2-155.9-4.6109.8E98 Q99 L107 I131E98-R129 PolarHBondContact OE2-N 3.37Å; Q99-R129 PolarHBondContact N-O 2.92Å; Q99-R129 PolarHBondContact O-N 2.87Å; L107-R129 VanDerWaalsContact CD2-NH1 3.26Å; R129-I131 PolarHBondContact O-N 2.85Å
130P97.5Very high96.2Very high103 Ų10373.9 Ų73.967%0.66938%0.383SS*.EExtended strand (participates in β ladder)trans-68.8132.2175.528.3-34.6000109.9
131I97.8Very high96.4Very high8 Ų871.3 Ų71.34%0.04137%0.37CS..EExtended strand (participates in β ladder)trans-131.1157167.462.1165000108.8D96 I97 Q99 R129 V133 T156D96-I131 WeakPolarHBondContact CA-O 3.5Å; I97-I131 HydrophobicContact CD1-CD1 3.98Å; I97-I131 HydrophobicContact CD1-CG1 4.24Å; I97-I131 HydrophobicContact CG1-CD1 3.87Å; I97-I131 HydrophobicContact CG1-CG1 3.55Å; I97-I131 PolarHBondContact N-O 3.41Å; I97-I131 PolarHBondContact O-N 2.92Å; Q99-I131 HydrophobicContact CB-CD1 3.78Å; Q99-I131 HydrophobicContact CB-CG1 4.04Å; Q99-I131 HydrophobicContact CB-CG2 4.46Å; Q99-I131 HydrophobicContact CG-CD1 4.37Å; R129-I131 PolarHBondContact O-N 2.85Å; I131-V133 HydrophobicContact CD1-CG2 4.48Å; I131-T156 HydrophobicContact CD1-CG2 3.73Å
132T98.6Very high96.7Very high33 Ų3373.6 Ų73.620%0.20236%0.361CS..EExtended strand (participates in β ladder)trans-117.6125.5171.8-50.70000109G95 D96 Y134 C152 S153G95-T132 WeakPolarHBondContact O-CA 3.41Å; D96-T132 WeakPolarHBondContact OD1-CB 3.38Å; D96-T132 VanDerWaalsContact OD1-CG2 3.23Å; D96-T132 WeakPolarHBondContact OD1-CG2 3.24Å; D96-T132 PolarHBondContact OD1-OG1 3.19Å; T132-Y134 HydrophobicContact CG2-CD1 3.52Å; T132-Y134 HydrophobicContact CG2-CE1 3.38Å; T132-Y134 HydrophobicContact CG2-CG 4.3Å; T132-C152 CarbonylContact O-C 3.58Å; T132-C152 VanDerWaalsContact O-CA 3.22Å; T132-C152 WeakPolarHBondContact O-CA 3.41Å; T132-S153 PolarHBondContact N-OG 3.34Å; T132-S153 PolarHBondContact O-N 2.89Å
133V98.7Very high96.8Very high1 Ų172.5 Ų72.51%0.00637%0.369CS..EExtended strand (participates in β ladder)trans-98.996.7167.2179.50000107.6F93 G95 I97 I131 E135 L136 I150 H151 C152 I161F93-V133 WeakPolarHBondContact O-CB 3.45Å; F93-V133 WeakPolarHBondContact O-CG1 3.44Å; F93-V133 VanDerWaalsContact O-CG2 3.26Å; F93-V133 WeakPolarHBondContact O-CG2 3.31Å; G95-V133 PolarHBondContact N-O 3.3Å; G95-V133 PolarHBondContact O-N 3.48Å; I97-V133 HydrophobicContact CD1-CG2 4.31Å; I131-V133 HydrophobicContact CD1-CG2 4.48Å; V133-E135 VanDerWaalsContact C-N 3.3Å; V133-E135 PolarHBondContact O-N 2.83Å; V133-L136 HydrophobicContact CG1-CB 4Å; V133-I150 HydrophobicContact CG1-CG2 3.95Å; V133-H151 CarbonylContact C-O 3.46Å; V133-C152 HydrophobicContact CG2-CB 4.49Å; V133-I161 HydrophobicContact CG2-CD1 4.11Å
134Y98.4Very high97Very high127 Ų12768.8 Ų68.850%0.49835%0.354SS..EExtended strand (participates in β ladder)trans-64.9-36.3-178.7-55.8-64.4000112D51 T132 H151D51-Y134 HydrophobicContact CB-CD2 4.35Å; D51-Y134 HydrophobicContact CB-CE2 3.82Å; T132-Y134 HydrophobicContact CG2-CD1 3.52Å; T132-Y134 HydrophobicContact CG2-CE1 3.38Å; T132-Y134 HydrophobicContact CG2-CG 4.3Å; Y134-H151 AromaticContact CD2-CD2 3.79Å; Y134-H151 AromaticContact CD2-CE1 3.97Å; Y134-H151 AromaticContact CD2-NE2 3.67Å; Y134-H151 PolarHBondContact N-O 2.84Å
135E98.6Very high97.3Very high75 Ų7571.2 Ų71.235%0.3537%0.365SS..EExtended strand (participates in β ladder)trans-149.8136.1178.6-165.2-179.9-144.100110.3R53 V133 L137 I150 H151R53-E135 IonicContact CZ-OE2 2.8Å; R53-E135 VanDerWaalsContact CZ-OE2 3.23Å; R53-E135 IonicContact NH1-OE2 3.23Å; R53-E135 PolarHBondContact NH1-OE2 2.89Å; R53-E135 IonicContact NH2-OE2 3.64Å; R53-E135 PolarHBondContact NH2-OE2 2.66Å; V133-E135 VanDerWaalsContact C-N 3.3Å; V133-E135 PolarHBondContact O-N 2.83Å; E135-L137 HydrophobicContact CG-CD2 3.88Å; E135-L137 HydrophobicContact CG-CG 3.95Å; E135-I150 WeakPolarHBondContact O-CA 3.47Å; E135-H151 HydrophobicContact CB-CB 3.89Å; E135-H151 PolarHBondContact N-O 2.84Å; E135-H151 PolarHBondContact O-N 2.73Å
136L98.8Very high97.5Very high5 Ų566.5 Ų66.53%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-131.1105.2172.4-163.9169.6000108.1L90 F93 R94 V133 L148 E149 I150L90-L136 HydrophobicContact CB-CD2 4.43Å; L90-L136 HydrophobicContact CD2-CD1 4.49Å; L90-L136 HydrophobicContact CD2-CD2 3.92Å; F93-L136 HydrophobicContact CB-CD1 3.74Å; R94-L136 HydrophobicContact CG-CB 3.93Å; R94-L136 PolarHBondContact NE-O 3.46Å; R94-L136 PolarHBondContact NH2-O 2.93Å; V133-L136 HydrophobicContact CG1-CB 4Å; L136-L148 HydrophobicContact CD2-CD1 4.36Å; L136-L148 HydrophobicContact CD2-CD2 4.06Å; L136-E149 WeakPolarHBondContact CA-O 3.44Å; L136-I150 HydrophobicContact CG-CG1 4.39Å
137L98.6Very high97.8Very high63 Ų6364.6 Ų64.633%0.3333%0.328SS..EExtended strand (participates in β ladder)trans-96.7128.4178.8-57.4176.5000110.4E135 I139 L148 E149E135-L137 HydrophobicContact CG-CD2 3.88Å; E135-L137 HydrophobicContact CG-CG 3.95Å; L137-I139 HydrophobicContact CB-CD1 4.05Å; L137-L148 WeakPolarHBondContact O-CA 3.33Å; L137-E149 HydrophobicContact CB-CB 4.02Å; L137-E149 HydrophobicContact CD1-CB 4.3Å; L137-E149 HydrophobicContact CG-CB 4.49Å; L137-E149 PolarHBondContact N-O 2.83Å; L137-E149 PolarHBondContact O-N 2.73Å
138F98.6Very high98.1Very high102 Ų10256.9 Ų56.945%0.44729%0.292SS..EExtended strand (participates in β ladder)trans-79.3126.3165.8172.8-97.8000109.3L86 L90 H141 L146 L148L86-F138 HydrophobicContact CD2-CD2 4.39Å; L86-F138 HydrophobicContact CD2-CE2 3.84Å; L90-F138 HydrophobicContact CD1-CB 4.19Å; L90-F138 HydrophobicContact CD1-CD2 4.01Å; L90-F138 HydrophobicContact CD1-CG 4.5Å; F138-H141 HydrophobicContact CE2-CB 3.87Å; F138-H141 HydrophobicContact CZ-CB 3.86Å; F138-L146 HydrophobicContact CD2-CD1 3.89Å; F138-L146 HydrophobicContact CE2-CD1 3.63Å; F138-L148 HydrophobicContact CD2-CD2 4.3Å
139I98.6Very high98.2Very high62 Ų6256.2 Ų56.232%0.31828%0.281SS..EExtended strand (participates in β ladder)trans-106.5-55.1-177.4-50.9-61.7000110.6R55 L137 E147 E149R55-I139 VanDerWaalsContact NH1-CG1 3.27Å; L137-I139 HydrophobicContact CB-CD1 4.05Å; I139-E147 HydrophobicContact CB-CB 4.1Å; I139-E147 HydrophobicContact CB-CG 3.92Å; I139-E147 WeakPolarHBondContact CB-O 3.15Å; I139-E147 HydrophobicContact CG1-CG 4.29Å; I139-E147 HydrophobicContact CG2-CB 4.5Å; I139-E147 HydrophobicContact CG2-CG 4.08Å; I139-E147 PolarHBondContact N-O 3.2Å; I139-E149 HydrophobicContact CD1-CB 4.28Å
140R98.5Very high98.4Very high53 Ų5350.7 Ų50.720%0.226%0.26CS..EExtended strand (participates in β ladder)trans-159160.2175.859.6167.7-173.4104.69.9112.1E142 E145 L146 E147R140-E142 IonicContact CZ-OE2 2.63Å; R140-E142 IonicContact NH1-OE2 3.78Å; R140-E142 PolarHBondContact NH1-OE2 2.76Å; R140-E145 IonicContact CZ-OE2 3.35Å; R140-E145 IonicContact NH1-OE2 3.82Å; R140-E145 PolarHBondContact NH1-OE2 2.87Å; R140-E145 VanDerWaalsContact NH1-OE2 3.15Å; R140-E145 IonicContact NH2-OE2 2.99Å; R140-E145 PolarHBondContact NH2-OE2 2.85Å; R140-L146 WeakPolarHBondContact O-CD1 3.29Å; R140-E147 HydrophobicContact CG-CB 3.59Å; R140-E147 IonicContact CZ-OE2 3.6Å; R140-E147 PolarHBondContact N-O 3.25Å; R140-E147 IonicContact NE-OE2 2.85Å; R140-E147 PolarHBondContact NE-OE2 2.9Å; R140-E147 IonicContact NH2-OE2 3.19Å; R140-E147 PolarHBondContact O-N 3.44Å
141H98.4Very high98.4Very high63 Ų6347.5 Ų47.529%0.29224%0.236SC..EExtended strand (participates in β ladder)trans-132.292168.1178.7-152.7000109.2L60 F81 L86 F138 G143 E145 L146L60-H141 WeakPolarHBondContact CD1-NE2 2.95Å; F81-H141 AromaticContact CE2-CE1 3.42Å; F81-H141 VanDerWaalsContact CE2-CE1 3.42Å; F81-H141 WeakPolarHBondContact CE2-CE1 3.2Å; F81-H141 AromaticContact CE2-ND1 3.97Å; F81-H141 AromaticContact CZ-CE1 3.56Å; F81-H141 AromaticContact CZ-NE2 3.78Å; L86-H141 HydrophobicContact CD2-CB 4.31Å; F138-H141 HydrophobicContact CE2-CB 3.87Å; F138-H141 HydrophobicContact CZ-CB 3.86Å; H141-G143 PolarHBondContact NE2-O 3.39Å; H141-G143 VanDerWaalsContact NE2-O 3.16Å; H141-E145 CarbonylContact C-O 3.51Å; H141-E145 WeakPolarHBondContact CA-O 3.43Å; H141-E145 PolarHBondContact CD2-O 3.16Å; H141-L146 HydrophobicContact CB-CD1 4.29Å
142E97.3Very high98.5Very high122 Ų12247.2 Ų47.257%0.5724%0.235SC*.EExtended strand (participates in β ladder)trans-90.586.5178.946.179.7167.100114.6R140 N144 E145R140-E142 IonicContact CZ-OE2 2.63Å; R140-E142 IonicContact NH1-OE2 3.78Å; R140-E142 PolarHBondContact NH1-OE2 2.76Å; E142-N144 PolarHBondContact O-N 2.83Å; E142-E145 PolarHBondContact N-O 2.97Å; E142-E145 PolarHBondContact O-N 2.85Å
143G96.3Very high98.4Very high55 Ų5546.4 Ų46.457%0.56723%0.23SC*.THydrogen-bonded Turntrans64.3-107.6179.400000112H141H141-G143 PolarHBondContact NE2-O 3.39Å; H141-G143 VanDerWaalsContact NE2-O 3.16Å
144N98.2Very high98.2Very high66 Ų6651.2 Ų51.235%0.35325%0.251SS..THydrogen-bonded Turntrans-101.814.3174.6-68.4-0.9000112.7R59 L60 E142R59-N144 WeakPolarHBondContact CA-O 3.42Å; L60-N144 PolarHBondContact N-O 2.84Å; E142-N144 PolarHBondContact O-N 2.83Å
145E98.7Very high97.9Very high63 Ų6347.7 Ų47.729%0.29425%0.254SS..EExtended strand (participates in β ladder)trans-110.1128.4177.1-66.7-173.7-178.500111.6I57 A58 R140 H141 E142 I176I57-E145 HydrophobicContact CG2-CB 4.05Å; I57-E145 HydrophobicContact CG2-CG 4.36Å; A58-E145 WeakPolarHBondContact O-CA 3.32Å; R140-E145 IonicContact CZ-OE2 3.35Å; R140-E145 IonicContact NH1-OE2 3.82Å; R140-E145 PolarHBondContact NH1-OE2 2.87Å; R140-E145 VanDerWaalsContact NH1-OE2 3.15Å; R140-E145 IonicContact NH2-OE2 2.99Å; R140-E145 PolarHBondContact NH2-OE2 2.85Å; H141-E145 CarbonylContact C-O 3.51Å; H141-E145 WeakPolarHBondContact CA-O 3.43Å; H141-E145 PolarHBondContact CD2-O 3.16Å; E142-E145 PolarHBondContact N-O 2.97Å; E142-E145 PolarHBondContact O-N 2.85Å; E145-I176 HydrophobicContact CG-CD1 4.15Å
146L98.8Very high97.8Very high1 Ų144.8 Ų44.81%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-116.7121.1173.7174.464.1000109.4I57 A58 L60 L86 F138 R140 H141 L148 L165I57-L146 CarbonylContact C-O 3.59Å; I57-L146 WeakPolarHBondContact CA-O 3.38Å; A58-L146 HydrophobicContact CB-CB 4.39Å; A58-L146 PolarHBondContact N-O 3.44Å; A58-L146 PolarHBondContact O-N 2.97Å; L60-L146 HydrophobicContact CD1-CB 4.01Å; L60-L146 HydrophobicContact CD2-CB 4.33Å; L60-L146 HydrophobicContact CD2-CD2 4.41Å; L60-L146 HydrophobicContact CG-CB 4.18Å; L86-L146 HydrophobicContact CD1-CD1 4.41Å; L86-L146 HydrophobicContact CD1-CD2 3.89Å; L86-L146 HydrophobicContact CD2-CD1 4.02Å; F138-L146 HydrophobicContact CD2-CD1 3.89Å; F138-L146 HydrophobicContact CE2-CD1 3.63Å; R140-L146 WeakPolarHBondContact O-CD1 3.29Å; H141-L146 HydrophobicContact CB-CD1 4.29Å; L146-L148 HydrophobicContact CD1-CD2 3.99Å; L146-L148 HydrophobicContact CD1-CG 4.48Å; L146-L148 HydrophobicContact CD2-CD1 4.21Å; L146-L148 HydrophobicContact CD2-CD2 4.41Å; L146-L148 HydrophobicContact CD2-CG 4.38Å; L146-L148 HydrophobicContact CG-CD1 4.42Å; L146-L148 HydrophobicContact CG-CD2 4.11Å; L146-L148 HydrophobicContact CG-CG 4.08Å; L146-L165 HydrophobicContact CD2-CD2 3.61Å
147E98.9Very high97.7Very high30 Ų3046.6 Ų46.614%0.1425%0.248CC..EExtended strand (participates in β ladder)trans-106.4129.7177.1-173.2172.4170.500110.9R55 V56 I57 I139 R140R55-E147 VanDerWaalsContact CD-OE1 3.28Å; R55-E147 WeakPolarHBondContact CD-OE1 3.22Å; R55-E147 HydrophobicContact CG-CG 4.49Å; R55-E147 IonicContact CZ-OE1 3.46Å; R55-E147 IonicContact NE-OE1 3.48Å; R55-E147 PolarHBondContact NE-OE1 3.2Å; R55-E147 IonicContact NH2-OE1 3.56Å; V56-E147 WeakPolarHBondContact O-CA 3.35Å; I57-E147 HydrophobicContact CG1-CB 4.18Å; I57-E147 HydrophobicContact CG1-CG 3.92Å; I139-E147 HydrophobicContact CB-CB 4.1Å; I139-E147 HydrophobicContact CB-CG 3.92Å; I139-E147 WeakPolarHBondContact CB-O 3.15Å; I139-E147 HydrophobicContact CG1-CG 4.29Å; I139-E147 HydrophobicContact CG2-CB 4.5Å; I139-E147 HydrophobicContact CG2-CG 4.08Å; I139-E147 PolarHBondContact N-O 3.2Å; R140-E147 HydrophobicContact CG-CB 3.59Å; R140-E147 IonicContact CZ-OE2 3.6Å; R140-E147 PolarHBondContact N-O 3.25Å; R140-E147 IonicContact NE-OE2 2.85Å; R140-E147 PolarHBondContact NE-OE2 2.9Å; R140-E147 IonicContact NH2-OE2 3.19Å; R140-E147 PolarHBondContact O-N 3.44Å
148L98.9Very high97.7Very high0 Ų043.8 Ų43.80%023%0.233CC..EExtended strand (participates in β ladder)trans-132155.7-178.4-55.2173.8000111.1R55 V56 L90 L136 L137 F138 L146 I150 I162 L165R55-L148 WeakPolarHBondContact CD-O 3.36Å; V56-L148 HydrophobicContact CG1-CB 3.83Å; V56-L148 PolarHBondContact N-O 3.28Å; V56-L148 PolarHBondContact O-N 2.8Å; L90-L148 HydrophobicContact CD1-CD2 4.22Å; L90-L148 HydrophobicContact CD2-CD1 3.9Å; L90-L148 HydrophobicContact CD2-CD2 3.92Å; L136-L148 HydrophobicContact CD2-CD1 4.36Å; L136-L148 HydrophobicContact CD2-CD2 4.06Å; L137-L148 WeakPolarHBondContact O-CA 3.33Å; F138-L148 HydrophobicContact CD2-CD2 4.3Å; L146-L148 HydrophobicContact CD1-CD2 3.99Å; L146-L148 HydrophobicContact CD1-CG 4.48Å; L146-L148 HydrophobicContact CD2-CD1 4.21Å; L146-L148 HydrophobicContact CD2-CD2 4.41Å; L146-L148 HydrophobicContact CD2-CG 4.38Å; L146-L148 HydrophobicContact CG-CD1 4.42Å; L146-L148 HydrophobicContact CG-CD2 4.11Å; L146-L148 HydrophobicContact CG-CG 4.08Å; L148-I150 HydrophobicContact CB-CG1 4.34Å; L148-I162 HydrophobicContact CD1-CD1 3.98Å; L148-L165 HydrophobicContact CD1-CD2 4.05Å
149E98.8Very high97.6Very high33 Ų3339.3 Ų39.315%0.15421%0.213CC..EExtended strand (participates in β ladder)trans-115.8133.3162.1-156.1173.9120.600109.9R53 Y54 R55 L136 L137 I139 L181R53-E149 VanDerWaalsContact CD-OE1 3.27Å; R53-E149 WeakPolarHBondContact CD-OE1 3.2Å; R53-E149 HydrophobicContact CG-CG 4.2Å; R53-E149 IonicContact CZ-OE1 3.52Å; R53-E149 IonicContact NE-OE1 3.55Å; R53-E149 IonicContact NH1-OE1 3.76Å; R53-E149 PolarHBondContact NH1-OE1 3.14Å; Y54-E149 CarbonylContact O-C 2.9Å; Y54-E149 VanDerWaalsContact O-CA 3.29Å; Y54-E149 WeakPolarHBondContact O-CA 3.35Å; Y54-E149 WeakPolarHBondContact O-CG 3.44Å; R55-E149 IonicContact CZ-OE2 3.47Å; R55-E149 IonicContact NH1-OE2 2.87Å; R55-E149 PolarHBondContact NH1-OE2 3.39Å; L136-E149 WeakPolarHBondContact CA-O 3.44Å; L137-E149 HydrophobicContact CB-CB 4.02Å; L137-E149 HydrophobicContact CD1-CB 4.3Å; L137-E149 HydrophobicContact CG-CB 4.49Å; L137-E149 PolarHBondContact N-O 2.83Å; L137-E149 PolarHBondContact O-N 2.73Å; I139-E149 HydrophobicContact CD1-CB 4.28Å; E149-L181 HydrophobicContact CG-CD1 4.08Å
150I98.8Very high97.5Very high0 Ų036.7 Ų36.70%020%0.2CC..EExtended strand (participates in β ladder)trans-131.2118-173-50.8-177.1000109.3R53 Y54 V56 V133 E135 L136 L148 C152 I158 I161R53-I150 CarbonylContact C-O 3.52Å; R53-I150 WeakPolarHBondContact CA-O 3.49Å; Y54-I150 PolarHBondContact N-O 3.3Å; Y54-I150 PolarHBondContact O-N 2.9Å; V56-I150 HydrophobicContact CG1-CD1 4.05Å; V56-I150 HydrophobicContact CG1-CG1 4.45Å; V133-I150 HydrophobicContact CG1-CG2 3.95Å; E135-I150 WeakPolarHBondContact O-CA 3.47Å; L136-I150 HydrophobicContact CG-CG1 4.39Å; L148-I150 HydrophobicContact CB-CG1 4.34Å; I150-C152 HydrophobicContact CG2-CB 4.19Å; I150-I158 HydrophobicContact CB-CD1 4.08Å; I150-I158 HydrophobicContact CD1-CD1 4.14Å; I150-I158 HydrophobicContact CD1-CG2 4.35Å; I150-I158 HydrophobicContact CG2-CD1 4.02Å; I150-I161 HydrophobicContact CD1-CD1 4.35Å; I150-I161 HydrophobicContact CD1-CG2 4.13Å; I150-I161 HydrophobicContact CG2-CD1 4.31Å
151H98.7Very high97.5Very high36 Ų3634.2 Ų34.217%0.16719%0.191CC..EExtended strand (participates in β ladder)trans-102119.5168.6-178.7-163.3000108.8D51 K52 R53 V133 Y134 E135D51-H151 IonicContact OD2-CD2 3.57Å; D51-H151 IonicContact OD2-CE1 3.15Å; D51-H151 PolarHBondContact OD2-CE1 2.71Å; D51-H151 IonicContact OD2-NE2 3.36Å; D51-H151 PolarHBondContact OD2-NE2 2.67Å; K52-H151 WeakPolarHBondContact O-CA 3.24Å; R53-H151 PolarHBondContact NH2-ND1 3.32Å; R53-H151 VanDerWaalsContact NH2-ND1 3.15Å; V133-H151 CarbonylContact C-O 3.46Å; Y134-H151 AromaticContact CD2-CD2 3.79Å; Y134-H151 AromaticContact CD2-CE1 3.97Å; Y134-H151 AromaticContact CD2-NE2 3.67Å; Y134-H151 PolarHBondContact N-O 2.84Å; E135-H151 HydrophobicContact CB-CB 3.89Å; E135-H151 PolarHBondContact N-O 2.84Å; E135-H151 PolarHBondContact O-N 2.73Å
152C98.5Very high97.5Very high1 Ų131.3 Ų31.31%0.00718%0.177CC..EExtended strand (participates in β ladder)trans-144.8162.2-168.7580000112.7D51 K52 T132 V133 I150 T156D51-C152 WeakPolarHBondContact CA-O 3.19Å; K52-C152 PolarHBondContact N-O 2.83Å; K52-C152 PolarHBondContact O-N 3.2Å; T132-C152 CarbonylContact O-C 3.58Å; T132-C152 VanDerWaalsContact O-CA 3.22Å; T132-C152 WeakPolarHBondContact O-CA 3.41Å; V133-C152 HydrophobicContact CG2-CB 4.49Å; I150-C152 HydrophobicContact CG2-CB 4.19Å; C152-T156 HydrophobicContact CB-CG2 3.84Å
153S97.6Very high97.5Very high16 Ų1626.3 Ų26.311%0.11215%0.154CC..  trans-66.3163.917364.90000111.7T132 T156T132-S153 PolarHBondContact N-OG 3.34Å; T132-S153 PolarHBondContact O-N 2.89Å; S153-T156 WeakPolarHBondContact O-CB 3.35Å; S153-T156 PolarHBondContact O-OG1 2.92Å
154K94.7Very high97.6Very high103 Ų10326.5 Ų26.545%0.44814%0.143SC..THydrogen-bonded Turntrans-52.5152.2169.157.9146.7163.9-166.50111.8L48 D49 T156L48-K154 VanDerWaalsContact O-CB 3.31Å; L48-K154 WeakPolarHBondContact O-CB 3.28Å; D49-K154 HydrophobicContact CB-CD 4.49Å; D49-K154 WeakPolarHBondContact OD1-CD 3.25Å; D49-K154 WeakPolarHBondContact OD1-CE 3.29Å; D49-K154 IonicContact OD1-NZ 3.75Å; D49-K154 PolarHBondContact OD1-NZ 2.84Å; K154-T156 PolarHBondContact O-N 3.03Å
155G92.6Very high97.6Very high53 Ų5323.5 Ų23.555%0.54613%0.127SC..THydrogen-bonded Turntrans77.8-4175.700000115.3Y157G155-Y157 VanDerWaalsContact O-CD2 3.24Å; G155-Y157 WeakPolarHBondContact O-CD2 3.42Å; G155-Y157 VanDerWaalsContact O-CE2 3.26Å; G155-Y157 WeakPolarHBondContact O-CE2 3.18Å; G155-Y157 PolarHBondContact O-N 3.06Å
156T96.2Very high97.6Very high14 Ų1420.5 Ų20.59%0.08611%0.113CC..  trans-67125.2175-56.20000111.5I131 C152 S153 K154 I158 I161I131-T156 HydrophobicContact CD1-CG2 3.73Å; C152-T156 HydrophobicContact CB-CG2 3.84Å; S153-T156 WeakPolarHBondContact O-CB 3.35Å; S153-T156 PolarHBondContact O-OG1 2.92Å; K154-T156 PolarHBondContact O-N 3.03Å; T156-I158 HydrophobicContact CG2-CD1 4.26Å; T156-I161 HydrophobicContact CG2-CD1 3.62Å; T156-I161 HydrophobicContact CG2-CG1 4.42Å
157Y95.8Very high97.6Very high42 Ų4223.9 Ų23.917%0.16513%0.128CC..  trans-93.5102.6172.8-67.9-86000109.7Q99 P101 S105 L107 G155 R159 T160 I161Q99-Y157 PolarHBondContact NE2-O 2.87Å; P101-Y157 HydrophobicContact CB-CD2 3.97Å; P101-Y157 HydrophobicContact CB-CE2 3.77Å; P101-Y157 HydrophobicContact CG-CD2 4.4Å; P101-Y157 HydrophobicContact CG-CE2 4.15Å; S105-Y157 VanDerWaalsContact CB-CE1 3.47Å; L107-Y157 HydrophobicContact CD1-CE2 4.17Å; L107-Y157 WeakPolarHBondContact CG-OH 3.26Å; G155-Y157 VanDerWaalsContact O-CD2 3.24Å; G155-Y157 WeakPolarHBondContact O-CD2 3.42Å; G155-Y157 VanDerWaalsContact O-CE2 3.26Å; G155-Y157 WeakPolarHBondContact O-CE2 3.18Å; G155-Y157 PolarHBondContact O-N 3.06Å; Y157-R159 PolarHBondContact O-N 3.37Å; Y157-T160 PolarHBondContact O-N 3.28Å; Y157-T160 VanDerWaalsContact O-N 3.08Å; Y157-I161 PolarHBondContact O-N 3.46Å; Y157-I161 VanDerWaalsContact O-N 3.11Å
158I97.9Very high97.5Very high4 Ų427.9 Ų27.92%0.02115%0.145CC..Hα-helixtrans-58.1-37177-57.5-58.8000111.2Y54 V56 I150 T156 T160 I161 I162 L178Y54-I158 HydrophobicContact CD1-CG1 4.22Å; Y54-I158 HydrophobicContact CD2-CD1 3.87Å; Y54-I158 HydrophobicContact CD2-CG1 3.92Å; Y54-I158 HydrophobicContact CE2-CD1 4.44Å; Y54-I158 HydrophobicContact CE2-CG1 4.3Å; Y54-I158 HydrophobicContact CG-CD1 4.16Å; Y54-I158 HydrophobicContact CG-CG1 3.87Å; V56-I158 HydrophobicContact CB-CG2 3.89Å; V56-I158 HydrophobicContact CG1-CG2 4.08Å; V56-I158 HydrophobicContact CG2-CG2 3.78Å; I150-I158 HydrophobicContact CB-CD1 4.08Å; I150-I158 HydrophobicContact CD1-CD1 4.14Å; I150-I158 HydrophobicContact CD1-CG2 4.35Å; I150-I158 HydrophobicContact CG2-CD1 4.02Å; T156-I158 HydrophobicContact CG2-CD1 4.26Å; I158-T160 VanDerWaalsContact C-N 3.33Å; I158-T160 PolarHBondContact O-N 3.17Å; I158-I161 HydrophobicContact CD1-CD1 4.37Å; I158-I161 WeakPolarHBondContact O-CB 3.45Å; I158-I161 PolarHBondContact O-N 2.92Å; I158-I162 HydrophobicContact CG2-CG1 4.43Å; I158-I162 WeakPolarHBondContact O-CG1 2.87Å; I158-I162 PolarHBondContact O-N 3Å; I158-L178 HydrophobicContact CB-CD1 4.15Å; I158-L178 HydrophobicContact CB-CD2 4.48Å; I158-L178 HydrophobicContact CG1-CD1 4.3Å; I158-L178 HydrophobicContact CG2-CD1 3.81Å
159R97.1Very high97.5Very high9 Ų928.7 Ų28.73%0.03415%0.149CC..Hα-helixtrans-58.1-42.7174.9-72.3-175-68.8143-3.8113.3D26 T66 D68 Y104 Y157 I162 D163 V175D26-R159 VanDerWaalsContact CG-NE 3.26Å; D26-R159 IonicContact OD1-CZ 3.39Å; D26-R159 IonicContact OD1-NE 2.9Å; D26-R159 PolarHBondContact OD1-NE 3Å; D26-R159 IonicContact OD1-NH2 3.74Å; D26-R159 PolarHBondContact OD1-NH2 3.29Å; D26-R159 WeakPolarHBondContact OD2-CD 3.22Å; D26-R159 IonicContact OD2-CZ 3.68Å; D26-R159 IonicContact OD2-NE 3.57Å; D26-R159 PolarHBondContact OD2-NE 3.24Å; D26-R159 IonicContact OD2-NH2 3.6Å; T66-R159 PolarHBondContact O-NH1 3.3Å; D68-R159 HydrophobicContact CB-CG 4.27Å; D68-R159 WeakPolarHBondContact OD2-CD 3.32Å; D68-R159 IonicContact OD2-CZ 2.83Å; D68-R159 IonicContact OD2-NE 3.8Å; D68-R159 PolarHBondContact OD2-NE 3.18Å; D68-R159 IonicContact OD2-NH1 3.46Å; D68-R159 PolarHBondContact OD2-NH1 2.98Å; Y104-R159 PolarHBondContact O-NH2 3.41Å; Y157-R159 PolarHBondContact O-N 3.37Å; R159-I162 PolarHBondContact O-N 3.35Å; R159-D163 PolarHBondContact O-N 3.12Å; R159-V175 HydrophobicContact CB-CG2 4.33Å; R159-V175 HydrophobicContact CG-CB 4.21Å; R159-V175 HydrophobicContact CG-CG2 3.77Å
160T96.8Very high97.5Very high7 Ų729 Ų294%0.04316%0.162CC..Hα-helixtrans-67.4-41.6176-62.50000111.3Q99 I100 Y157 I158 I162 D163 D164Q99-T160 HydrophobicContact CG-CG2 3.53Å; I100-T160 WeakPolarHBondContact O-CG2 3.35Å; Y157-T160 PolarHBondContact O-N 3.28Å; Y157-T160 VanDerWaalsContact O-N 3.08Å; I158-T160 VanDerWaalsContact C-N 3.33Å; I158-T160 PolarHBondContact O-N 3.17Å; T160-I162 VanDerWaalsContact C-N 3.25Å; T160-I162 PolarHBondContact O-N 2.94Å; T160-D163 PolarHBondContact O-N 3.39Å; T160-D164 WeakPolarHBondContact CG2-OD2 3.44Å; T160-D164 VanDerWaalsContact O-CB 3.31Å; T160-D164 WeakPolarHBondContact O-CB 3.36Å; T160-D164 PolarHBondContact O-N 2.91Å
161I98.2Very high97.4Very high1 Ų129.1 Ų29.11%0.00516%0.162CC..Hα-helixtrans-55.5-45.3173.7-64.2-178.6000110.5F93 V133 I150 T156 Y157 I158 L165F93-I161 HydrophobicContact CD1-CG2 4.05Å; F93-I161 HydrophobicContact CG-CG2 4.39Å; V133-I161 HydrophobicContact CG2-CD1 4.11Å; I150-I161 HydrophobicContact CD1-CD1 4.35Å; I150-I161 HydrophobicContact CD1-CG2 4.13Å; I150-I161 HydrophobicContact CG2-CD1 4.31Å; T156-I161 HydrophobicContact CG2-CD1 3.62Å; T156-I161 HydrophobicContact CG2-CG1 4.42Å; Y157-I161 PolarHBondContact O-N 3.46Å; Y157-I161 VanDerWaalsContact O-N 3.11Å; I158-I161 HydrophobicContact CD1-CD1 4.37Å; I158-I161 WeakPolarHBondContact O-CB 3.45Å; I158-I161 PolarHBondContact O-N 2.92Å; I161-L165 WeakPolarHBondContact O-CB 3.32Å; I161-L165 PolarHBondContact O-N 2.99Å
162I98.6Very high97.4Very high1 Ų127.4 Ų27.41%0.00516%0.155CC..Hα-helixtrans-67.5-46.1-179.9-67.2-47.2000112V56 A58 L148 I158 R159 T160 L165 G166 A173 V175V56-I162 HydrophobicContact CG1-CD1 4.08Å; V56-I162 HydrophobicContact CG1-CG1 4.49Å; V56-I162 HydrophobicContact CG2-CD1 4.29Å; V56-I162 HydrophobicContact CG2-CG1 3.9Å; A58-I162 HydrophobicContact CB-CB 4.48Å; A58-I162 HydrophobicContact CB-CD1 4.05Å; A58-I162 HydrophobicContact CB-CG1 4.28Å; A58-I162 HydrophobicContact CB-CG2 3.41Å; A58-I162 VanDerWaalsContact CB-CG2 3.41Å; L148-I162 HydrophobicContact CD1-CD1 3.98Å; I158-I162 HydrophobicContact CG2-CG1 4.43Å; I158-I162 WeakPolarHBondContact O-CG1 2.87Å; I158-I162 PolarHBondContact O-N 3Å; R159-I162 PolarHBondContact O-N 3.35Å; T160-I162 VanDerWaalsContact C-N 3.25Å; T160-I162 PolarHBondContact O-N 2.94Å; I162-L165 PolarHBondContact O-N 3.15Å; I162-G166 PolarHBondContact O-N 3.22Å; I162-A173 HydrophobicContact CG2-CB 3.84Å; I162-V175 HydrophobicContact CB-CG2 3.85Å; I162-V175 HydrophobicContact CG1-CG2 3.74Å; I162-V175 HydrophobicContact CG2-CG2 4.08Å
163D97.9Very high97.4Very high17 Ų1727.4 Ų27.49%0.09116%0.155CC..Hα-helixtrans-60.7-48.8177.6-170.764.4000111.3R63 R159 T160 L165 G166 E167R63-D163 IonicContact CZ-OD1 2.73Å; R63-D163 IonicContact CZ-OD2 3.52Å; R63-D163 IonicContact NE-OD1 3.99Å; R63-D163 PolarHBondContact NE-OD1 2.82Å; R63-D163 IonicContact NE-OD2 2.83Å; R63-D163 IonicContact NH2-OD1 3.95Å; R63-D163 PolarHBondContact NH2-OD1 3Å; R63-D163 IonicContact NH2-OD2 3.68Å; R63-D163 PolarHBondContact NH2-OD2 2.82Å; R159-D163 PolarHBondContact O-N 3.12Å; T160-D163 PolarHBondContact O-N 3.39Å; D163-L165 VanDerWaalsContact C-N 3.33Å; D163-L165 PolarHBondContact O-N 2.85Å; D163-G166 WeakPolarHBondContact O-CA 3.45Å; D163-G166 PolarHBondContact O-N 2.73Å; D163-G166 VanDerWaalsContact O-N 3.12Å; D163-E167 PolarHBondContact O-N 2.78Å
164D98Very high97.5Very high60 Ų6027.1 Ų27.132%0.32115%0.152SC..Hα-helixtrans-62.8-38.3179-68.7-17.6000112F93 T160 E167 K168F93-D164 HydrophobicContact CE1-CB 3.76Å; F93-D164 HydrophobicContact CZ-CB 3.74Å; T160-D164 WeakPolarHBondContact CG2-OD2 3.44Å; T160-D164 VanDerWaalsContact O-CB 3.31Å; T160-D164 WeakPolarHBondContact O-CB 3.36Å; T160-D164 PolarHBondContact O-N 2.91Å; D164-E167 PolarHBondContact O-N 2.67Å; D164-K168 WeakPolarHBondContact O-CB 3.43Å; D164-K168 PolarHBondContact O-N 3.01Å
165L98.5Very high97.7Very high3 Ų322.2 Ų22.22%0.01613%0.13CC..Hα-helixtrans-63.1-44.8174.4176.263.7000110.7A89 L90 F93 L146 L148 I161 I162 D163 E167 K168 L169A89-L165 HydrophobicContact CB-CD1 3.77Å; L90-L165 HydrophobicContact CD2-CD1 4.04Å; L90-L165 HydrophobicContact CD2-CD2 3.61Å; F93-L165 HydrophobicContact CD2-CD1 4.18Å; F93-L165 HydrophobicContact CE2-CB 3.89Å; F93-L165 HydrophobicContact CE2-CD1 3.8Å; F93-L165 HydrophobicContact CE2-CG 4.46Å; F93-L165 HydrophobicContact CZ-CB 4.09Å; L146-L165 HydrophobicContact CD2-CD2 3.61Å; L148-L165 HydrophobicContact CD1-CD2 4.05Å; I161-L165 WeakPolarHBondContact O-CB 3.32Å; I161-L165 PolarHBondContact O-N 2.99Å; I162-L165 PolarHBondContact O-N 3.15Å; D163-L165 VanDerWaalsContact C-N 3.33Å; D163-L165 PolarHBondContact O-N 2.85Å; L165-E167 VanDerWaalsContact C-N 3.33Å; L165-E167 PolarHBondContact O-N 3.32Å; L165-K168 PolarHBondContact O-N 3.18Å; L165-L169 HydrophobicContact CD1-CD1 3.95Å; L165-L169 HydrophobicContact CD1-CG 4.28Å; L165-L169 HydrophobicContact CG-CD1 3.95Å; L165-L169 WeakPolarHBondContact O-CB 3.35Å; L165-L169 VanDerWaalsContact O-CG 3.24Å; L165-L169 WeakPolarHBondContact O-CG 3.42Å; L165-L169 PolarHBondContact O-N 3.39Å
166G98.5Very high98Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-59.3-43.7174.900000112.5I162 D163 L169 G170 C171 G172I162-G166 PolarHBondContact O-N 3.22Å; D163-G166 WeakPolarHBondContact O-CA 3.45Å; D163-G166 PolarHBondContact O-N 2.73Å; D163-G166 VanDerWaalsContact O-N 3.12Å; G166-L169 CarbonylContact O-C 3.53Å; G166-L169 PolarHBondContact O-N 3.36Å; G166-G170 PolarHBondContact O-N 3.11Å; G166-G170 VanDerWaalsContact O-N 3.09Å; G166-C171 PolarHBondContact O-N 3.32Å; G166-G172 VanDerWaalsContact C-CA 3.47Å; G166-G172 VanDerWaalsContact CA-C 3.5Å; G166-G172 PolarHBondContact O-N 3.05Å
167E97.9Very high98.1Very high72 Ų7226.3 Ų26.334%0.33613%0.132SC..Hα-helixtrans-62.6-45.7175.4-75.9-57.78900112.2R63 R77 D163 D164 L165 L169 G170R63-E167 VanDerWaalsContact CD-OE1 3.23Å; R63-E167 WeakPolarHBondContact CD-OE1 3.33Å; R63-E167 IonicContact CZ-OE1 3.57Å; R63-E167 IonicContact CZ-OE2 3.09Å; R63-E167 IonicContact NE-OE1 3.97Å; R63-E167 IonicContact NH1-OE1 3.95Å; R63-E167 IonicContact NH1-OE2 2.69Å; R63-E167 PolarHBondContact NH1-OE2 3.07Å; R77-E167 IonicContact CZ-OE1 2.7Å; R77-E167 IonicContact NH1-OE1 2.62Å; R77-E167 PolarHBondContact NH1-OE1 3.15Å; R77-E167 IonicContact NH2-OE1 3.46Å; R77-E167 PolarHBondContact NH2-OE1 3.31Å; R77-E167 IonicContact NH2-OE2 3.56Å; D163-E167 PolarHBondContact O-N 2.78Å; D164-E167 PolarHBondContact O-N 2.67Å; L165-E167 VanDerWaalsContact C-N 3.33Å; L165-E167 PolarHBondContact O-N 3.32Å; E167-L169 PolarHBondContact O-N 3.25Å; E167-G170 WeakPolarHBondContact O-CA 3.27Å; E167-G170 PolarHBondContact O-N 2.94Å
168K98.1Very high98.2Very high113 Ų11324.5 Ų24.549%0.49113%0.125SC..Hα-helixtrans-61-34.5176.6177.3170.6-78.5-126.70112.5A89 T92 F93 D164 L165 G170A89-K168 HydrophobicContact CB-CD 3.77Å; A89-K168 HydrophobicContact CB-CG 4.02Å; T92-K168 WeakPolarHBondContact OG1-CD 3.42Å; T92-K168 WeakPolarHBondContact OG1-CE 3.44Å; T92-K168 PolarHBondContact OG1-NZ 3.32Å; F93-K168 HydrophobicContact CE2-CD 4.19Å; D164-K168 WeakPolarHBondContact O-CB 3.43Å; D164-K168 PolarHBondContact O-N 3.01Å; L165-K168 PolarHBondContact O-N 3.18Å; K168-G170 VanDerWaalsContact C-N 3.26Å
169L98.3Very high98.2Very high17 Ų1728.4 Ų28.49%0.08914%0.14CC..THydrogen-bonded Turntrans-80.9-5.8175.3-67.1170.4000113.3F81 L86 A89 L165 G166 E167 C171F81-L169 HydrophobicContact CB-CD2 4.17Å; F81-L169 HydrophobicContact CD1-CB 3.72Å; F81-L169 HydrophobicContact CD1-CD1 4.08Å; F81-L169 HydrophobicContact CD1-CD2 4.04Å; F81-L169 HydrophobicContact CD1-CG 4.15Å; F81-L169 HydrophobicContact CD2-CD2 4.26Å; F81-L169 HydrophobicContact CE1-CB 4.09Å; F81-L169 HydrophobicContact CE1-CD1 3.74Å; F81-L169 HydrophobicContact CE1-CD2 4.48Å; F81-L169 HydrophobicContact CE1-CG 4.32Å; F81-L169 HydrophobicContact CG-CB 4.38Å; F81-L169 HydrophobicContact CG-CD2 3.9Å; F81-L169 HydrophobicContact CZ-CD1 4.01Å; L86-L169 HydrophobicContact CD1-CD1 3.8Å; L86-L169 HydrophobicContact CD1-CD2 4.48Å; A89-L169 HydrophobicContact CB-CD2 3.73Å; A89-L169 HydrophobicContact CB-CG 4.21Å; L165-L169 HydrophobicContact CD1-CD1 3.95Å; L165-L169 HydrophobicContact CD1-CG 4.28Å; L165-L169 HydrophobicContact CG-CD1 3.95Å; L165-L169 WeakPolarHBondContact O-CB 3.35Å; L165-L169 VanDerWaalsContact O-CG 3.24Å; L165-L169 WeakPolarHBondContact O-CG 3.42Å; L165-L169 PolarHBondContact O-N 3.39Å; G166-L169 CarbonylContact O-C 3.53Å; G166-L169 PolarHBondContact O-N 3.36Å; E167-L169 PolarHBondContact O-N 3.25Å; L169-C171 PolarHBondContact O-N 3.11Å
170G98.2Very high98.3Very high41 Ų4128 Ų2842%0.42314%0.138SC..THydrogen-bonded Turntrans77.1-2.9177.600000115.2R77 G166 E167 K168R77-G170 WeakPolarHBondContact CD-O 3.47Å; R77-G170 PolarHBondContact NH1-O 2.87Å; G166-G170 PolarHBondContact O-N 3.11Å; G166-G170 VanDerWaalsContact O-N 3.09Å; E167-G170 WeakPolarHBondContact O-CA 3.27Å; E167-G170 PolarHBondContact O-N 2.94Å; K168-G170 VanDerWaalsContact C-N 3.26Å
171C98.3Very high98.3Very high1 Ų129.8 Ų29.81%0.00715%0.147CC..SBendtrans-103.5-13-178.7660000114G61 V79 G166 L169G61-C171 CarbonylContact C-O 3.52Å; G61-C171 VanDerWaalsContact C-O 3.26Å; G61-C171 WeakPolarHBondContact CA-O 3.47Å; V79-C171 HydrophobicContact CG2-CB 4.24Å; G166-C171 PolarHBondContact O-N 3.32Å; L169-C171 PolarHBondContact O-N 3.11Å
172G98.5Very high98.3Very high0 Ų031 Ų310%016%0.157CC..  trans69.5162.2-169.100000112.7G61 G166G61-G172 PolarHBondContact N-O 2.76Å; G166-G172 VanDerWaalsContact C-CA 3.47Å; G166-G172 VanDerWaalsContact CA-C 3.5Å; G166-G172 PolarHBondContact O-N 3.05Å
173A98.7Very high98.2Very high1 Ų130.9 Ų30.91%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-160161176.200000112R59 L60 Q62 I162R59-A173 WeakPolarHBondContact O-CA 3.46Å; L60-A173 HydrophobicContact CD2-CB 4Å; Q62-A173 CarbonylContact O-C 3.56Å; Q62-A173 WeakPolarHBondContact O-CA 3.23Å; Q62-A173 PolarHBondContact O-N 2.98Å; I162-A173 HydrophobicContact CG2-CB 3.84Å
174H98.5Very high97.9Very high11 Ų1131.1 Ų31.15%0.05116%0.159CC..EExtended strand (participates in β ladder)trans-145.3160.3168.464.3-83.5000111A58 R59 Q62 T64A58-H174 CarbonylContact C-O 3.55Å; A58-H174 VanDerWaalsContact CA-O 3.31Å; A58-H174 WeakPolarHBondContact CA-O 3.33Å; R59-H174 VanDerWaalsContact CG-CE1 3.49Å; R59-H174 WeakPolarHBondContact CG-CE1 3.34Å; R59-H174 PolarHBondContact N-O 2.8Å; R59-H174 PolarHBondContact O-N 3.13Å; R59-H174 VanDerWaalsContact O-N 3.11Å; Q62-H174 PolarHBondContact O-N 3.32Å; Q62-H174 PolarHBondContact O-ND1 3.21Å; T64-H174 HydrophobicContact CG2-CB 4.17Å
175V98.7Very high97.6Very high0 Ų035.4 Ų35.40%018%0.175CC..EExtended strand (participates in β ladder)trans-77.6124.4179.6179.10000111.2L28 V56 S67 D68 A69 R159 I162 Y177 L178L28-V175 HydrophobicContact CD1-CG1 3.85Å; V56-V175 HydrophobicContact CG2-CB 4.46Å; V56-V175 HydrophobicContact CG2-CG1 3.81Å; V56-V175 HydrophobicContact CG2-CG2 3.92Å; S67-V175 PolarHBondContact O-N 3.41Å; D68-V175 CarbonylContact C-O 3.51Å; D68-V175 VanDerWaalsContact CA-O 3.26Å; D68-V175 WeakPolarHBondContact CA-O 3.47Å; D68-V175 HydrophobicContact CB-CB 4.24Å; A69-V175 PolarHBondContact N-O 3.31Å; R159-V175 HydrophobicContact CB-CG2 4.33Å; R159-V175 HydrophobicContact CG-CB 4.21Å; R159-V175 HydrophobicContact CG-CG2 3.77Å; I162-V175 HydrophobicContact CB-CG2 3.85Å; I162-V175 HydrophobicContact CG1-CG2 3.74Å; I162-V175 HydrophobicContact CG2-CG2 4.08Å; V175-Y177 WeakPolarHBondContact CG1-O 3.03Å; V175-L178 HydrophobicContact CG1-CB 3.95Å
176I98.5Very high97.5Very high59 Ų5936.9 Ų36.930%0.30318%0.181SC..EExtended strand (participates in β ladder)trans-106.4-18.6172.757.2167.4000113.5I57 R59 A69 E145I57-I176 HydrophobicContact CB-CD1 4.49Å; I57-I176 HydrophobicContact CB-CG1 4.11Å; I57-I176 HydrophobicContact CG2-CD1 3.89Å; I57-I176 HydrophobicContact CG2-CG1 3.98Å; I57-I176 VanDerWaalsContact O-CG1 3.24Å; I57-I176 WeakPolarHBondContact O-CG1 3.3Å; I57-I176 PolarHBondContact O-N 3.39Å; R59-I176 HydrophobicContact CB-CD1 4.29Å; R59-I176 HydrophobicContact CB-CG1 4.39Å; R59-I176 HydrophobicContact CB-CG2 3.47Å; R59-I176 VanDerWaalsContact CB-CG2 3.47Å; R59-I176 HydrophobicContact CG-CG2 4.41Å; A69-I176 HydrophobicContact CB-CG2 4.13Å; E145-I176 HydrophobicContact CG-CD1 4.15Å
177Y98.6Very high97.2Very high93 Ų9338.6 Ų38.637%0.36519%0.192SC..EExtended strand (participates in β ladder)trans-144.3135174.4175.2-88.7000109.5R55 V56 I57 V175 R179R55-Y177 HydrophobicContact CB-CE1 4.46Å; R55-Y177 HydrophobicContact CG-CE1 4.17Å; V56-Y177 WeakPolarHBondContact CA-O 3.32Å; V56-Y177 WeakPolarHBondContact CG2-O 3.23Å; I57-Y177 HydrophobicContact CD1-CD1 4.12Å; I57-Y177 HydrophobicContact CD1-CG 4.05Å; I57-Y177 HydrophobicContact CG1-CD1 4.02Å; I57-Y177 HydrophobicContact CG1-CG 4.26Å; I57-Y177 PolarHBondContact N-O 3.43Å; I57-Y177 PolarHBondContact O-N 3Å; V175-Y177 WeakPolarHBondContact CG1-O 3.03Å; Y177-R179 HydrophobicContact CE1-CB 3.77Å; Y177-R179 WeakPolarHBondContact OH-CD 3.27Å
178L98.6Very high97Very high4 Ų439.1 Ų39.12%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-141130.6174.7-173.455.5000110.7L28 A29 T30 Y54 V56 I158 V175L28-L178 HydrophobicContact CD1-CB 4.39Å; A29-L178 CarbonylContact C-O 3.56Å; A29-L178 VanDerWaalsContact CA-O 3.25Å; A29-L178 WeakPolarHBondContact CA-O 3.25Å; A29-L178 HydrophobicContact CB-CB 3.93Å; A29-L178 HydrophobicContact CB-CD2 3.93Å; A29-L178 HydrophobicContact CB-CG 3.85Å; T30-L178 PolarHBondContact N-O 3.31Å; Y54-L178 HydrophobicContact CD1-CD1 3.86Å; Y54-L178 HydrophobicContact CD1-CG 4.37Å; Y54-L178 HydrophobicContact CG-CD1 4.37Å; V56-L178 HydrophobicContact CB-CD1 4.06Å; V56-L178 HydrophobicContact CG2-CD1 4.23Å; I158-L178 HydrophobicContact CB-CD1 4.15Å; I158-L178 HydrophobicContact CB-CD2 4.48Å; I158-L178 HydrophobicContact CG1-CD1 4.3Å; I158-L178 HydrophobicContact CG2-CD1 3.81Å; V175-L178 HydrophobicContact CG1-CB 3.95Å
179R98.3Very high96.8Very high86 Ų8641.2 Ų41.233%0.32521%0.212SC..EExtended strand (participates in β ladder)trans-137.7122.2174-175.9175-17985.9-4.4111T30 Y54 R55 Y177 L181T30-R179 CarbonylContact O-C 3.44Å; T30-R179 VanDerWaalsContact O-CA 3.29Å; T30-R179 WeakPolarHBondContact O-CA 3.14Å; T30-R179 WeakPolarHBondContact OG1-CG 3.2Å; T30-R179 PolarHBondContact OG1-NH1 2.97Å; Y54-R179 CarbonylContact C-O 3.43Å; Y54-R179 VanDerWaalsContact CA-O 3.24Å; Y54-R179 WeakPolarHBondContact CA-O 3.39Å; R55-R179 PolarHBondContact N-O 3.22Å; R55-R179 PolarHBondContact O-N 2.67Å; Y177-R179 HydrophobicContact CE1-CB 3.77Å; Y177-R179 WeakPolarHBondContact OH-CD 3.27Å; R179-L181 HydrophobicContact CG-CD2 4.05Å; R179-L181 PolarHBondContact O-N 3.06Å
180R98Very high96.6Very high2 Ų245.8 Ų45.81%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-77.2110.1168.9-170.8159.165-163.4-2109.4G23 L25 T30 G31 M32 L33 R53 Y54 V183G23-R180 PolarHBondContact O-NH1 3.3Å; G23-R180 PolarHBondContact O-NH2 3.07Å; L25-R180 HydrophobicContact CD2-CB 3.65Å; L25-R180 HydrophobicContact CD2-CG 4.47Å; L25-R180 VanDerWaalsContact CD2-CZ 3.45Å; T30-R180 PolarHBondContact O-N 3.34Å; G31-R180 CarbonylContact C-O 3.09Å; G31-R180 VanDerWaalsContact CA-O 3.25Å; G31-R180 WeakPolarHBondContact CA-O 3.41Å; M32-R180 PolarHBondContact N-O 3.29Å; M32-R180 PolarHBondContact O-NE 2.82Å; M32-R180 PolarHBondContact O-NH2 3.38Å; L33-R180 VanDerWaalsContact CD1-NH2 3.32Å; R53-R180 CarbonylContact O-C 3.5Å; R53-R180 WeakPolarHBondContact O-CA 3.24Å; Y54-R180 HydrophobicContact CD1-CB 3.73Å; Y54-R180 HydrophobicContact CD1-CG 4.08Å; Y54-R180 HydrophobicContact CE1-CB 3.55Å; Y54-R180 HydrophobicContact CE1-CG 3.72Å; Y54-R180 HydrophobicContact CE2-CG 4.49Å; Y54-R180 WeakPolarHBondContact OH-CD 3.16Å; R180-V183 HydrophobicContact CG-CG2 4.16Å
181L97.6Very high96.5Very high44 Ų4446.8 Ų46.823%0.2322%0.222CC..EExtended strand (participates in β ladder)trans-77.7-41.7-179.1-59-178.2000111.4R53 R55 E149 R179 V188R53-L181 HydrophobicContact CB-CB 4.46Å; R53-L181 HydrophobicContact CG-CB 4.34Å; R53-L181 HydrophobicContact CG-CD1 4.33Å; R53-L181 PolarHBondContact O-N 2.99Å; R55-L181 HydrophobicContact CB-CD1 4.11Å; R55-L181 HydrophobicContact CB-CD2 4.25Å; R55-L181 HydrophobicContact CB-CG 4.26Å; E149-L181 HydrophobicContact CG-CD1 4.08Å; R179-L181 HydrophobicContact CG-CD2 4.05Å; R179-L181 PolarHBondContact O-N 3.06Å; L181-V188 WeakPolarHBondContact O-CG2 3.31Å
182A97.1Very high96.5Very high25 Ų2549.7 Ų49.721%0.20724%0.239CC..EExtended strand (participates in β ladder)trans-145.3154.5-176.200000112.7K52 R53K52-A182 WeakPolarHBondContact CA-O 3.28Å; R53-A182 HydrophobicContact CB-CB 4.09Å; R53-A182 PolarHBondContact N-O 3.08Å; R53-A182 PolarHBondContact O-N 2.63Å
183V96.8Very high96.4Very high0 Ų053.4 Ų53.40%026%0.263CS..EExtended strand (participates in β ladder)trans-134.1116.9168.9179.90000106.7M32 P34 L47 S50 K52 R180 K185 Y186M32-V183 HydrophobicContact CB-CG2 4.46Å; M32-V183 HydrophobicContact CG-CG2 4.33Å; M32-V183 HydrophobicContact SD-CB 3.93Å; M32-V183 HydrophobicContact SD-CG2 4.11Å; M32-V183 PolarHBondContact SD-N 3.09Å; M32-V183 VanDerWaalsContact SD-N 3.43Å; P34-V183 HydrophobicContact CG-CB 3.97Å; P34-V183 HydrophobicContact CG-CG1 4.07Å; P34-V183 HydrophobicContact CG-CG2 4.09Å; L47-V183 HydrophobicContact CD2-CG1 4.3Å; S50-V183 WeakPolarHBondContact OG-CG1 3.33Å; K52-V183 HydrophobicContact CG-CG2 4.38Å; R180-V183 HydrophobicContact CG-CG2 4.16Å; V183-K185 PolarHBondContact O-N 3.45Å; V183-Y186 WeakPolarHBondContact O-CB 3.44Å; V183-Y186 PolarHBondContact O-N 3.1Å
184S93.2Very high96.4Very high21 Ų2154.5 Ų54.515%0.14727%0.268CS..THydrogen-bonded Turntrans51.4-141.1-173.4-174.70000110.7S50 D51 Y186S50-S184 PolarHBondContact OG-N 3.38Å; D51-S184 PolarHBondContact O-N 2.91Å; D51-S184 VanDerWaalsContact O-N 3.11Å; S184-Y186 VanDerWaalsContact C-N 3.32Å
185K91.5Very high96.3Very high151 Ų15158.6 Ų58.666%0.65729%0.287SS*.THydrogen-bonded Turntrans-92.217179.2-59.6176.1-178169.30113.2V183 P187 D228V183-K185 PolarHBondContact O-N 3.45Å; K185-P187 WeakPolarHBondContact O-CD 3.42Å; K185-D228 WeakPolarHBondContact CD-OD1 3.03Å; K185-D228 WeakPolarHBondContact CE-OD1 3.38Å; K185-D228 IonicContact NZ-OD1 3.11Å; K185-D228 PolarHBondContact NZ-OD1 3.13Å
186Y95.2Very high96.3Very high33 Ų3361.9 Ų61.913%0.12930%0.302CS..  trans-67.4129.1-178.5-86.127.1000110.3M32 P34 L47 V183 S184 V188 M220 S224M32-Y186 WeakPolarHBondContact CE-O 3.49Å; P34-Y186 HydrophobicContact CB-CD2 4.04Å; P34-Y186 HydrophobicContact CB-CE2 3.84Å; P34-Y186 HydrophobicContact CG-CD2 4.07Å; P34-Y186 HydrophobicContact CG-CE2 4.33Å; L47-Y186 HydrophobicContact CD1-CE1 4.4Å; L47-Y186 HydrophobicContact CD1-CE2 4.06Å; L47-Y186 WeakPolarHBondContact CD1-OH 3.5Å; L47-Y186 HydrophobicContact CD2-CD1 4.17Å; L47-Y186 HydrophobicContact CD2-CE1 3.8Å; L47-Y186 HydrophobicContact CD2-CE2 4.42Å; V183-Y186 WeakPolarHBondContact O-CB 3.44Å; V183-Y186 PolarHBondContact O-N 3.1Å; S184-Y186 VanDerWaalsContact C-N 3.32Å; Y186-V188 PolarHBondContact O-N 3.36Å; Y186-M220 HydrophobicContact CD1-CE 4.4Å; Y186-M220 HydrophobicContact CD1-SD 4.46Å; Y186-M220 HydrophobicContact CD2-SD 3.98Å; Y186-M220 HydrophobicContact CE1-CE 4.28Å; Y186-M220 HydrophobicContact CE1-SD 4.32Å; Y186-M220 HydrophobicContact CE2-SD 3.85Å; Y186-M220 HydrophobicContact CG-SD 4.29Å; Y186-S224 PolarHBondContact OH-OG 3.35Å
187P92Very high96.3Very high37 Ų3759.3 Ų59.324%0.2429%0.289CS..  trans-68129.9-17822.1-30.8000111.9K185 E189 R190K185-P187 WeakPolarHBondContact O-CD 3.42Å; P187-E189 VanDerWaalsContact C-N 3.28Å; P187-E189 HydrophobicContact CB-CG 4.17Å; P187-E189 WeakPolarHBondContact CB-OE1 3.42Å; P187-E189 WeakPolarHBondContact CB-OE2 3.29Å; P187-E189 PolarHBondContact O-N 3.33Å; P187-R190 HydrophobicContact CB-CB 4.41Å; P187-R190 HydrophobicContact CB-CG 4.07Å; P187-R190 HydrophobicContact CG-CB 3.87Å; P187-R190 HydrophobicContact CG-CG 3.51Å; P187-R190 PolarHBondContact O-N 3.02Å
188V93.7Very high96.3Very high83 Ų8359.9 Ų59.950%0.50329%0.291SS..G310 helixtrans-63-36.8177.5144.90000111.5M32 L181 Y186 R190 M191M32-V188 HydrophobicContact CE-CG2 3.98Å; L181-V188 WeakPolarHBondContact O-CG2 3.31Å; Y186-V188 PolarHBondContact O-N 3.36Å; V188-R190 PolarHBondContact O-N 3.35Å; V188-M191 HydrophobicContact CG2-SD 4.22Å; V188-M191 VanDerWaalsContact O-CB 3.24Å; V188-M191 WeakPolarHBondContact O-CB 3.29Å; V188-M191 VanDerWaalsContact O-CG 3.27Å; V188-M191 WeakPolarHBondContact O-CG 3.37Å; V188-M191 PolarHBondContact O-N 3.25Å
189E94.4Very high96.3Very high157 Ų15765 Ų6573%0.73431%0.314SS*.G310 helixtrans-66.4-15.7179.966.4-84.5-163.100113.5P187P187-E189 VanDerWaalsContact C-N 3.28Å; P187-E189 HydrophobicContact CB-CG 4.17Å; P187-E189 WeakPolarHBondContact CB-OE1 3.42Å; P187-E189 WeakPolarHBondContact CB-OE2 3.29Å; P187-E189 PolarHBondContact O-N 3.33Å
190R94.1Very high96.3Very high112 Ų11261.8 Ų61.842%0.42330%0.304SS..G310 helixtrans-92.40.5173.6-67-79.9-71.8-170.72.1112.7P187 V188 P217 L218 L219P187-R190 HydrophobicContact CB-CB 4.41Å; P187-R190 HydrophobicContact CB-CG 4.07Å; P187-R190 HydrophobicContact CG-CB 3.87Å; P187-R190 HydrophobicContact CG-CG 3.51Å; P187-R190 PolarHBondContact O-N 3.02Å; V188-R190 PolarHBondContact O-N 3.35Å; R190-P217 PolarHBondContact NH2-O 3.04Å; R190-L218 PolarHBondContact NH2-O 3.4Å; R190-L218 VanDerWaalsContact NH2-O 3.08Å; R190-L219 PolarHBondContact NH2-O 2.98Å
191M97Very high96.3Very high63 Ų6363.2 Ų63.231%0.3131%0.313SS..  trans-67.4135.1173.9-69.2177.251.600110.6G31 M32 V188G31-M191 VanDerWaalsContact C-CE 3.4Å; M32-M191 HydrophobicContact CB-CE 4.14Å; M32-M191 HydrophobicContact CB-CG 4.45Å; M32-M191 HydrophobicContact CB-SD 3.73Å; M32-M191 HydrophobicContact CE-CG 3.97Å; M32-M191 HydrophobicContact CE-SD 3.83Å; M32-M191 HydrophobicContact CG-CG 4.24Å; M32-M191 HydrophobicContact CG-SD 4.14Å; V188-M191 HydrophobicContact CG2-SD 4.22Å; V188-M191 VanDerWaalsContact O-CB 3.24Å; V188-M191 WeakPolarHBondContact O-CB 3.29Å; V188-M191 VanDerWaalsContact O-CG 3.27Å; V188-M191 WeakPolarHBondContact O-CG 3.37Å; V188-M191 PolarHBondContact O-N 3.25Å
192V97.4Very high96.3Very high61 Ų6166.4 Ų66.437%0.3733%0.327SS..  trans-122.6147.8175.3-65.30000110.1L197 L218V192-L197 HydrophobicContact CG2-CD1 4.21Å; V192-L197 HydrophobicContact CG2-CD2 3.94Å; V192-L197 HydrophobicContact CG2-CG 4.03Å; V192-L218 HydrophobicContact CG1-CD1 4.13Å; V192-L218 HydrophobicContact CG1-CD2 4.2Å
193T97.5Very high96.4Very high79 Ų7968.8 Ų68.849%0.48533%0.333SS..  trans-86.9159.317562.40000110.5E195 H196 L197T193-E195 PolarHBondContact O-N 3.38Å; T193-H196 PolarHBondContact O-N 2.92Å; T193-H196 VanDerWaalsContact OG1-CB 3.31Å; T193-H196 WeakPolarHBondContact OG1-CB 3.47Å; T193-H196 PolarHBondContact OG1-N 2.98Å; T193-L197 WeakPolarHBondContact O-CG 3.41Å; T193-L197 PolarHBondContact O-N 3.19Å; T193-L197 VanDerWaalsContact O-N 3.1Å
194L97.3Very high96.5Very high23 Ų2368.8 Ų68.812%0.1233%0.334CS..Hα-helixtrans-63.2-31.6172.8-75.4174.3000111.4M1 A6 K9 V10 I13 R198M1-L194 HydrophobicContact CE-CD1 4.16Å; M1-L194 HydrophobicContact SD-CD1 3.86Å; A6-L194 HydrophobicContact CB-CD1 4.49Å; K9-L194 HydrophobicContact CB-CD1 4.39Å; K9-L194 HydrophobicContact CB-CD2 3.97Å; K9-L194 HydrophobicContact CD-CD1 3.86Å; V10-L194 HydrophobicContact CG2-CD2 3.6Å; I13-L194 HydrophobicContact CD1-CD2 4.41Å; L194-R198 WeakPolarHBondContact O-CG 3.34Å; L194-R198 PolarHBondContact O-N 3.41Å; L194-R198 VanDerWaalsContact O-N 3.12Å
195E97.9Very high96.7Very high97 Ų9774.7 Ų74.745%0.45336%0.359SS..Hα-helixtrans-64.8-50177-67.959.6-129.800109.8T193 L197 R198 E199T193-E195 PolarHBondContact O-N 3.38Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 3.5Å; E195-R198 WeakPolarHBondContact O-CB 3.27Å; E195-R198 PolarHBondContact O-N 3.13Å; E195-R198 IonicContact OE1-NH1 2.65Å; E195-R198 PolarHBondContact OE1-NH1 3.4Å; E195-E199 WeakPolarHBondContact O-CG 3.21Å; E195-E199 PolarHBondContact O-N 2.84Å
196H98.2Very high97Very high69 Ų6974.4 Ų74.432%0.31936%0.36SS..Hα-helixtrans-60-41.1176.6-175.855.6000112.4T193 R198 E199 L200T193-H196 PolarHBondContact O-N 2.92Å; T193-H196 VanDerWaalsContact OG1-CB 3.31Å; T193-H196 WeakPolarHBondContact OG1-CB 3.47Å; T193-H196 PolarHBondContact OG1-N 2.98Å; H196-R198 VanDerWaalsContact C-N 3.28Å; H196-R198 PolarHBondContact O-N 2.7Å; H196-E199 IonicContact ND1-OE2 2.85Å; H196-E199 WeakPolarHBondContact O-CB 3.06Å; H196-E199 PolarHBondContact O-N 2.94Å; H196-L200 WeakPolarHBondContact O-CG 3.05Å; H196-L200 PolarHBondContact O-N 3.34Å
197L98.5Very high97.2Very high6 Ų677.6 Ų77.63%0.03138%0.376CS..Hα-helixtrans-62-34.2174.9-70177.8000112.7V10 I13 Y14 V192 T193 E195 V201 L215 L218V10-L197 HydrophobicContact CG2-CD1 4.2Å; I13-L197 HydrophobicContact CD1-CB 4Å; I13-L197 HydrophobicContact CG2-CB 4.25Å; Y14-L197 HydrophobicContact CE2-CD1 4.36Å; Y14-L197 HydrophobicContact CE2-CD2 4.09Å; V192-L197 HydrophobicContact CG2-CD1 4.21Å; V192-L197 HydrophobicContact CG2-CD2 3.94Å; V192-L197 HydrophobicContact CG2-CG 4.03Å; T193-L197 WeakPolarHBondContact O-CG 3.41Å; T193-L197 PolarHBondContact O-N 3.19Å; T193-L197 VanDerWaalsContact O-N 3.1Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 3.5Å; L197-V201 WeakPolarHBondContact O-CG2 3.39Å; L197-V201 PolarHBondContact O-N 2.69Å; L197-L215 HydrophobicContact CD2-CD2 3.9Å; L197-L218 HydrophobicContact CD2-CD1 3.61Å
198R98.1Very high97.4Very high104 Ų10483.3 Ų83.339%0.39240%0.404SS..Hα-helixtrans-72.5-40.1174.9-70.5175.7-165.7121.613.4111.8I13 L194 E195 H196 L200 V201 E202I13-R198 HydrophobicContact CD1-CG 4.3Å; L194-R198 WeakPolarHBondContact O-CG 3.34Å; L194-R198 PolarHBondContact O-N 3.41Å; L194-R198 VanDerWaalsContact O-N 3.12Å; E195-R198 WeakPolarHBondContact O-CB 3.27Å; E195-R198 PolarHBondContact O-N 3.13Å; E195-R198 IonicContact OE1-NH1 2.65Å; E195-R198 PolarHBondContact OE1-NH1 3.4Å; H196-R198 VanDerWaalsContact C-N 3.28Å; H196-R198 PolarHBondContact O-N 2.7Å; R198-L200 VanDerWaalsContact C-N 3.27Å; R198-L200 PolarHBondContact O-N 3.46Å; R198-V201 PolarHBondContact O-N 3.12Å; R198-V201 VanDerWaalsContact O-N 3.13Å; R198-E202 PolarHBondContact O-N 2.62Å
199E98.4Very high97.6Very high111 Ų11181.7 Ų81.752%0.51939%0.392SS..Hα-helixtrans-58-41.4175.5-69.8165.4-179.900111.1E195 H196 V201 E202 Q203E195-E199 WeakPolarHBondContact O-CG 3.21Å; E195-E199 PolarHBondContact O-N 2.84Å; H196-E199 IonicContact ND1-OE2 2.85Å; H196-E199 WeakPolarHBondContact O-CB 3.06Å; H196-E199 PolarHBondContact O-N 2.94Å; E199-V201 PolarHBondContact O-N 2.83Å; E199-E202 PolarHBondContact O-N 3.01Å; E199-Q203 VanDerWaalsContact O-CB 3.29Å; E199-Q203 WeakPolarHBondContact O-CB 3.24Å; E199-Q203 PolarHBondContact O-N 2.79Å
200L98.5Very high97.8Very high20 Ų2078 Ų7811%0.10538%0.382CS..Hα-helixtrans-65.9-36.2175.6-67.5176000112.9H196 R198 A204 L214 L215 L218H196-L200 WeakPolarHBondContact O-CG 3.05Å; H196-L200 PolarHBondContact O-N 3.34Å; R198-L200 VanDerWaalsContact C-N 3.27Å; R198-L200 PolarHBondContact O-N 3.46Å; L200-A204 WeakPolarHBondContact O-CB 3.32Å; L200-A204 PolarHBondContact O-N 3.1Å; L200-L214 HydrophobicContact CB-CB 4.37Å; L200-L214 HydrophobicContact CD2-CB 4.4Å; L200-L215 HydrophobicContact CB-CD2 4.03Å; L200-L215 HydrophobicContact CD1-CD2 4.2Å; L200-L218 HydrophobicContact CD1-CD1 3.57Å; L200-L218 HydrophobicContact CD1-CG 4.47Å
201V98.4Very high98Very high32 Ų3274.2 Ų74.219%0.19437%0.374CS..Hα-helixtrans-65.8-47.7174.2172.50000110.5I13 L197 R198 E199 Q203 A204 E205 A211 L215I13-V201 HydrophobicContact CG2-CG2 3.89Å; L197-V201 WeakPolarHBondContact O-CG2 3.39Å; L197-V201 PolarHBondContact O-N 2.69Å; R198-V201 PolarHBondContact O-N 3.12Å; R198-V201 VanDerWaalsContact O-N 3.13Å; E199-V201 PolarHBondContact O-N 2.83Å; V201-Q203 VanDerWaalsContact C-N 3.29Å; V201-Q203 PolarHBondContact O-N 3.23Å; V201-A204 PolarHBondContact O-N 3.49Å; V201-E205 WeakPolarHBondContact O-CG 3.44Å; V201-E205 PolarHBondContact O-N 2.91Å; V201-A211 HydrophobicContact CG2-CB 4.36Å; V201-L215 HydrophobicContact CG2-CD1 3.99Å
202E98.3Very high98Very high111 Ų11173.3 Ų73.352%0.51938%0.377SS..Hα-helixtrans-61.2-40.3177.5-176.117817700111.3R198 E199 E205 Q206R198-E202 PolarHBondContact O-N 2.62Å; E199-E202 PolarHBondContact O-N 3.01Å; E202-E205 PolarHBondContact O-N 2.76Å; E202-Q206 VanDerWaalsContact O-CG 3.29Å; E202-Q206 WeakPolarHBondContact O-CG 3.23Å; E202-Q206 PolarHBondContact O-N 3.23Å; E202-Q206 PolarHBondContact OE1-NE2 3.48Å
203Q98.5Very high98Very high74 Ų7476 Ų7635%0.34639%0.386SS..Hα-helixtrans-61.4-45.2174.6-177.4-175.3-16.400111.7E199 V201 E205 Q206 Q207 L214E199-Q203 VanDerWaalsContact O-CB 3.29Å; E199-Q203 WeakPolarHBondContact O-CB 3.24Å; E199-Q203 PolarHBondContact O-N 2.79Å; V201-Q203 VanDerWaalsContact C-N 3.29Å; V201-Q203 PolarHBondContact O-N 3.23Å; Q203-E205 VanDerWaalsContact C-N 3.33Å; Q203-E205 PolarHBondContact O-N 3.32Å; Q203-Q206 PolarHBondContact O-N 3.42Å; Q203-Q207 HydrophobicContact CG-CG 4.48Å; Q203-Q207 WeakPolarHBondContact O-CB 3.28Å; Q203-Q207 VanDerWaalsContact O-CG 3.26Å; Q203-Q207 WeakPolarHBondContact O-CG 3.29Å; Q203-Q207 PolarHBondContact O-N 3.25Å; Q203-L214 HydrophobicContact CB-CD1 4.04Å; Q203-L214 HydrophobicContact CG-CD1 3.86Å
204A98.3Very high98Very high1 Ų174.1 Ų74.11%0.00837%0.372CS..Hα-helixtrans-62.4-40.8177.500000111.9L200 V201 Q207 D208 I209 A211 L214L200-A204 WeakPolarHBondContact O-CB 3.32Å; L200-A204 PolarHBondContact O-N 3.1Å; V201-A204 PolarHBondContact O-N 3.49Å; A204-Q207 CarbonylContact O-C 3.59Å; A204-Q207 PolarHBondContact O-N 2.93Å; A204-D208 PolarHBondContact O-N 3.02Å; A204-I209 HydrophobicContact CB-CG1 3.96Å; A204-I209 PolarHBondContact O-N 2.88Å; A204-A211 HydrophobicContact CB-CB 4.11Å; A204-L214 HydrophobicContact CB-CD1 3.99Å; A204-L214 HydrophobicContact CB-CG 4.45Å
205E97.7Very high98.1Very high145 Ų14573.1 Ų73.168%0.67837%0.367SS*.Hα-helixtrans-61.5-43.8174.2-71.4175.8177.500111.8V201 E202 Q203 Q207 D208V201-E205 WeakPolarHBondContact O-CG 3.44Å; V201-E205 PolarHBondContact O-N 2.91Å; E202-E205 PolarHBondContact O-N 2.76Å; Q203-E205 VanDerWaalsContact C-N 3.33Å; Q203-E205 PolarHBondContact O-N 3.32Å; E205-Q207 VanDerWaalsContact C-N 3.27Å; E205-Q207 PolarHBondContact O-N 3.08Å; E205-D208 PolarHBondContact O-N 3.21Å
206Q98.2Very high98.1Very high144 Ų14472.5 Ų72.567%0.67337%0.367SS*.Hα-helixtrans-65.4-30.1176.3-71.4173.411.900112.9E202 Q203E202-Q206 VanDerWaalsContact O-CG 3.29Å; E202-Q206 WeakPolarHBondContact O-CG 3.23Å; E202-Q206 PolarHBondContact O-N 3.23Å; E202-Q206 PolarHBondContact OE1-NE2 3.48Å; Q203-Q206 PolarHBondContact O-N 3.42Å
207Q98.1Very high98Very high101 Ų10173.2 Ų73.247%0.47238%0.378SS..Hα-helixtrans-88.3-4.3179.3-69.9179.9-17.500113.5Q203 A204 E205 I209Q203-Q207 HydrophobicContact CG-CG 4.48Å; Q203-Q207 WeakPolarHBondContact O-CB 3.28Å; Q203-Q207 VanDerWaalsContact O-CG 3.26Å; Q203-Q207 WeakPolarHBondContact O-CG 3.29Å; Q203-Q207 PolarHBondContact O-N 3.25Å; A204-Q207 CarbonylContact O-C 3.59Å; A204-Q207 PolarHBondContact O-N 2.93Å; E205-Q207 VanDerWaalsContact C-N 3.27Å; E205-Q207 PolarHBondContact O-N 3.08Å; Q207-I209 VanDerWaalsContact C-N 3.26Å; Q207-I209 HydrophobicContact CB-CD1 4.21Å; Q207-I209 HydrophobicContact CB-CG1 3.99Å; Q207-I209 HydrophobicContact CB-CG2 4.41Å; Q207-I209 PolarHBondContact O-N 2.93Å
208D97.6Very high98Very high157 Ų15775.1 Ų75.184%0.8439%0.388SS*.THydrogen-bonded Turntrans53.640.8-173.5-161.935000113A204 E205A204-D208 PolarHBondContact O-N 3.02Å; E205-D208 PolarHBondContact O-N 3.21Å
209I98.3Very high97.9Very high48 Ų4873.7 Ų73.725%0.24639%0.388CS..SBendtrans-118.5156176.164.9176.5000111.2A204 Q207 A211 E213 L214A204-I209 HydrophobicContact CB-CG1 3.96Å; A204-I209 PolarHBondContact O-N 2.88Å; Q207-I209 VanDerWaalsContact C-N 3.26Å; Q207-I209 HydrophobicContact CB-CD1 4.21Å; Q207-I209 HydrophobicContact CB-CG1 3.99Å; Q207-I209 HydrophobicContact CB-CG2 4.41Å; Q207-I209 PolarHBondContact O-N 2.93Å; I209-A211 PolarHBondContact O-N 3.16Å; I209-E213 HydrophobicContact CD1-CB 4.37Å; I209-L214 HydrophobicContact CD1-CD1 4.33Å; I209-L214 HydrophobicContact CD1-CD2 4.15Å; I209-L214 HydrophobicContact CD1-CG 4.05Å
210P97.7Very high97.8Very high81 Ų8171.7 Ų71.753%0.52638%0.379SS..  trans-59130.4171.1-21.532.7000111.6A212 E213P210-A212 PolarHBondContact O-N 3.33Å; P210-E213 HydrophobicContact CB-CG 4.48Å; P210-E213 WeakPolarHBondContact CD-OE1 3.45Å; P210-E213 WeakPolarHBondContact O-CB 3.38Å; P210-E213 PolarHBondContact O-N 3.24Å
211A97.6Very high97.6Very high31 Ų3174.7 Ų74.726%0.25640%0.4SS..THydrogen-bonded Turntrans-54.8-28.8177.800000113.7V201 A204 I209 E213 L214 L215V201-A211 HydrophobicContact CG2-CB 4.36Å; A204-A211 HydrophobicContact CB-CB 4.11Å; I209-A211 PolarHBondContact O-N 3.16Å; A211-E213 PolarHBondContact O-N 3.03Å; A211-L214 PolarHBondContact O-N 2.95Å; A211-L214 VanDerWaalsContact O-N 3.11Å; A211-L215 HydrophobicContact CB-CD1 4Å; A211-L215 WeakPolarHBondContact O-CB 3.46Å; A211-L215 VanDerWaalsContact O-CG 3.28Å; A211-L215 WeakPolarHBondContact O-CG 3.39Å; A211-L215 PolarHBondContact O-N 3.36Å
212A97Very high97.4Very high45 Ų4576.7 Ų76.737%0.37241%0.408SS..Hα-helixtrans-55.2-34175.100000112.9P210 L214 L215 D216P210-A212 PolarHBondContact O-N 3.33Å; A212-L214 PolarHBondContact O-N 3.11Å; A212-L215 PolarHBondContact O-N 2.98Å; A212-D216 WeakPolarHBondContact O-CB 3.26Å; A212-D216 PolarHBondContact O-N 3.28Å
213E98.1Very high97.3Very high116 Ų11672.4 Ų72.454%0.54239%0.389SS..Hα-helixtrans-61.9-31.4179.2-66-170-162.400112.7I209 P210 A211 P217I209-E213 HydrophobicContact CD1-CB 4.37Å; P210-E213 HydrophobicContact CB-CG 4.48Å; P210-E213 WeakPolarHBondContact CD-OE1 3.45Å; P210-E213 WeakPolarHBondContact O-CB 3.38Å; P210-E213 PolarHBondContact O-N 3.24Å; A211-E213 PolarHBondContact O-N 3.03Å; E213-P217 WeakPolarHBondContact O-CD 3.43Å; E213-P217 WeakPolarHBondContact O-CG 3.39Å
214L98.3Very high97.1Very high40 Ų4069.4 Ų69.421%0.20938%0.376CS..Hα-helixtrans-95.4-29177.3-57.9-172000113L200 Q203 A204 I209 A211 A212L200-L214 HydrophobicContact CB-CB 4.37Å; L200-L214 HydrophobicContact CD2-CB 4.4Å; Q203-L214 HydrophobicContact CB-CD1 4.04Å; Q203-L214 HydrophobicContact CG-CD1 3.86Å; A204-L214 HydrophobicContact CB-CD1 3.99Å; A204-L214 HydrophobicContact CB-CG 4.45Å; I209-L214 HydrophobicContact CD1-CD1 4.33Å; I209-L214 HydrophobicContact CD1-CD2 4.15Å; I209-L214 HydrophobicContact CD1-CG 4.05Å; A211-L214 PolarHBondContact O-N 2.95Å; A211-L214 VanDerWaalsContact O-N 3.11Å; A212-L214 PolarHBondContact O-N 3.11Å
215L98.3Very high97Very high3 Ų369.7 Ų69.72%0.01638%0.378CS..Hα-helixtrans-86.6-39.5-175.3-69.4176.7000113.9I13 Y14 L197 L200 V201 A211 A212 P217 L218I13-L215 HydrophobicContact CG2-CD1 3.84Å; I13-L215 HydrophobicContact CG2-CD2 4.19Å; Y14-L215 HydrophobicContact CD1-CB 4.25Å; Y14-L215 HydrophobicContact CE1-CB 3.64Å; Y14-L215 PolarHBondContact OH-O 3.4Å; L197-L215 HydrophobicContact CD2-CD2 3.9Å; L200-L215 HydrophobicContact CB-CD2 4.03Å; L200-L215 HydrophobicContact CD1-CD2 4.2Å; V201-L215 HydrophobicContact CG2-CD1 3.99Å; A211-L215 HydrophobicContact CB-CD1 4Å; A211-L215 WeakPolarHBondContact O-CB 3.46Å; A211-L215 VanDerWaalsContact O-CG 3.28Å; A211-L215 WeakPolarHBondContact O-CG 3.39Å; A211-L215 PolarHBondContact O-N 3.36Å; A212-L215 PolarHBondContact O-N 2.98Å; L215-P217 VanDerWaalsContact C-CD 3.46Å; L215-L218 VanDerWaalsContact O-CB 3.32Å; L215-L218 WeakPolarHBondContact O-CB 3.11Å; L215-L218 PolarHBondContact O-N 3.05Å; L215-L218 VanDerWaalsContact O-N 3.16Å
216D97.4Very high96.9Very high83 Ų8362.9 Ų62.944%0.44435%0.346SS..G310 helixtrans-64.3-33.7-175.5-72.6-4.1000113.8A212 L218 L219A212-D216 WeakPolarHBondContact O-CB 3.26Å; A212-D216 PolarHBondContact O-N 3.28Å; D216-L218 PolarHBondContact O-N 3.04Å; D216-L218 VanDerWaalsContact O-N 3.08Å; D216-L219 HydrophobicContact CB-CD1 4.31Å; D216-L219 VanDerWaalsContact O-CB 3.29Å; D216-L219 WeakPolarHBondContact O-CB 3.44Å; D216-L219 PolarHBondContact O-N 3.23Å
217P97.4Very high96.7Very high84 Ų8458.1 Ų58.155%0.54533%0.328SS..G310 helixtrans-58.6-20.9173.4-27.436.7000114.8R190 E213 L215R190-P217 PolarHBondContact NH2-O 3.04Å; E213-P217 WeakPolarHBondContact O-CD 3.43Å; E213-P217 WeakPolarHBondContact O-CG 3.39Å; L215-P217 VanDerWaalsContact C-CD 3.46Å
218L97.2Very high96.5Very high47 Ų4757.6 Ų57.625%0.24633%0.329CS..G310 helixtrans-78-22.6175.3-56.4178.2000112.6R190 V192 L197 L200 L215 D216R190-L218 PolarHBondContact NH2-O 3.4Å; R190-L218 VanDerWaalsContact NH2-O 3.08Å; V192-L218 HydrophobicContact CG1-CD1 4.13Å; V192-L218 HydrophobicContact CG1-CD2 4.2Å; L197-L218 HydrophobicContact CD2-CD1 3.61Å; L200-L218 HydrophobicContact CD1-CD1 3.57Å; L200-L218 HydrophobicContact CD1-CG 4.47Å; L215-L218 VanDerWaalsContact O-CB 3.32Å; L215-L218 WeakPolarHBondContact O-CB 3.11Å; L215-L218 PolarHBondContact O-N 3.05Å; L215-L218 VanDerWaalsContact O-N 3.16Å; D216-L218 PolarHBondContact O-N 3.04Å; D216-L218 VanDerWaalsContact O-N 3.08Å
219L96.7Very high96.4Very high74 Ų7453.6 Ų53.639%0.38730%0.303SS..PPolyproline II helixtrans-65141.3-178-62.4175.3000110.9Y14 L37 R190 D216Y14-L219 HydrophobicContact CD1-CD1 4.47Å; Y14-L219 HydrophobicContact CD1-CD2 4.19Å; Y14-L219 HydrophobicContact CE1-CD1 4.11Å; Y14-L219 HydrophobicContact CE1-CD2 3.57Å; Y14-L219 HydrophobicContact CE1-CG 3.84Å; L37-L219 HydrophobicContact CD1-CD2 3.86Å; R190-L219 PolarHBondContact NH2-O 2.98Å; D216-L219 HydrophobicContact CB-CD1 4.31Å; D216-L219 VanDerWaalsContact O-CB 3.29Å; D216-L219 WeakPolarHBondContact O-CB 3.44Å; D216-L219 PolarHBondContact O-N 3.23Å
220M95.8Very high96.3Very high69 Ų6954.5 Ų54.534%0.3431%0.311SS..PPolyproline II helixtrans-88.3158.3168.2-66.8-17074.300110Y186Y186-M220 HydrophobicContact CD1-CE 4.4Å; Y186-M220 HydrophobicContact CD1-SD 4.46Å; Y186-M220 HydrophobicContact CD2-SD 3.98Å; Y186-M220 HydrophobicContact CE1-CE 4.28Å; Y186-M220 HydrophobicContact CE1-SD 4.32Å; Y186-M220 HydrophobicContact CE2-SD 3.85Å; Y186-M220 HydrophobicContact CG-SD 4.29Å
221P95Very high96.3Very high83 Ų8354 Ų5454%0.53931%0.307SS..PPolyproline II helixtrans-51.1144.6172.8-28.236.2000112.7D223 S224P221-D223 WeakPolarHBondContact CB-OD1 3.5Å; P221-D223 PolarHBondContact O-N 3.48Å; P221-D223 VanDerWaalsContact O-N 3.17Å; P221-S224 WeakPolarHBondContact O-CB 3.36Å; P221-S224 PolarHBondContact O-N 2.91Å; P221-S224 PolarHBondContact O-OG 3.28Å
222M93.9Very high96.3Very high73 Ų7352.8 Ų52.836%0.3630%0.296SS..THydrogen-bonded Turntrans-58.4-31.3-176.1-174.9-179-58.900113.1E39 A40 F43 P225 V287E39-M222 HydrophobicContact CB-CE 3.86Å; E39-M222 HydrophobicContact CB-SD 3.63Å; A40-M222 HydrophobicContact CB-CG 3.88Å; F43-M222 HydrophobicContact CD2-CG 4.32Å; F43-M222 HydrophobicContact CE2-CG 4.16Å; F43-M222 HydrophobicContact CE2-SD 4.18Å; M222-P225 WeakPolarHBondContact O-CD 3.09Å; M222-V287 HydrophobicContact CE-CG1 4.32Å; M222-V287 HydrophobicContact SD-CB 4.42Å; M222-V287 HydrophobicContact SD-CG1 3.81Å; M222-V287 HydrophobicContact SD-CG2 3.67Å
223D95.4Very high96.4Very high22 Ų2254.1 Ų54.112%0.11830%0.297CS..THydrogen-bonded Turntrans-89.7-0.5-179.970.2-41.4000113.5P221 P225 A226 S227 R260 F269P221-D223 WeakPolarHBondContact CB-OD1 3.5Å; P221-D223 PolarHBondContact O-N 3.48Å; P221-D223 VanDerWaalsContact O-N 3.17Å; D223-P225 VanDerWaalsContact C-N 3.28Å; D223-A226 CarbonylContact O-C 3.57Å; D223-A226 WeakPolarHBondContact O-CA 3.48Å; D223-A226 PolarHBondContact O-N 2.88Å; D223-S227 PolarHBondContact O-N 3.5Å; D223-R260 VanDerWaalsContact OD2-CD 3.31Å; D223-R260 WeakPolarHBondContact OD2-CD 3.32Å; D223-R260 IonicContact OD2-CZ 2.71Å; D223-R260 IonicContact OD2-NE 2.67Å; D223-R260 IonicContact OD2-NH1 3.61Å; D223-R260 PolarHBondContact OD2-NH1 2.96Å; D223-F269 HydrophobicContact CB-CB 4.26Å; D223-F269 HydrophobicContact CB-CD1 3.73Å; D223-F269 HydrophobicContact CB-CD2 3.53Å; D223-F269 HydrophobicContact CB-CE1 3.8Å; D223-F269 HydrophobicContact CB-CE2 3.61Å; D223-F269 HydrophobicContact CB-CG 3.58Å; D223-F269 HydrophobicContact CB-CZ 3.74Å
224S96.1Very high96.3Very high11 Ų1148.6 Ų48.68%0.07727%0.271CS..G310 helixtrans-55.1-32.117861.70000114.7Y186 P221 A226 S227Y186-S224 PolarHBondContact OH-OG 3.35Å; P221-S224 WeakPolarHBondContact O-CB 3.36Å; P221-S224 PolarHBondContact O-N 2.91Å; P221-S224 PolarHBondContact O-OG 3.28Å; S224-A226 PolarHBondContact O-N 2.86Å; S224-S227 VanDerWaalsContact O-CB 3.27Å; S224-S227 WeakPolarHBondContact O-CB 3.49Å; S224-S227 PolarHBondContact O-N 2.81Å; S224-S227 VanDerWaalsContact O-N 3.17Å; S224-S227 PolarHBondContact O-OG 2.8Å
225P95.6Very high96.3Very high7 Ų749.8 Ų49.85%0.04528%0.281CS..G310 helixtrans-57.6-30.6170.5-26.437.3000113.6F43 Y46 L47 M222 D223F43-P225 HydrophobicContact CB-CB 4.2Å; F43-P225 HydrophobicContact CB-CG 4.32Å; F43-P225 VanDerWaalsContact O-CB 3.24Å; F43-P225 WeakPolarHBondContact O-CB 3.23Å; Y46-P225 WeakPolarHBondContact CB-O 3.43Å; L47-P225 HydrophobicContact CD1-CB 3.7Å; L47-P225 HydrophobicContact CD1-CG 3.73Å; L47-P225 HydrophobicContact CG-CB 3.77Å; L47-P225 HydrophobicContact CG-CG 4.36Å; M222-P225 WeakPolarHBondContact O-CD 3.09Å; D223-P225 VanDerWaalsContact C-N 3.28Å
226A95.3Very high96.1Very high1 Ų154.8 Ų54.81%0.00831%0.307CS..G310 helixtrans-102.520.8-178.100000112.1Y46 D223 S224 D228 Y229 R260 M272Y46-A226 HydrophobicContact CD2-CB 3.79Å; Y46-A226 HydrophobicContact CE2-CB 4.05Å; Y46-A226 HydrophobicContact CG-CB 4.32Å; D223-A226 CarbonylContact O-C 3.57Å; D223-A226 WeakPolarHBondContact O-CA 3.48Å; D223-A226 PolarHBondContact O-N 2.88Å; S224-A226 PolarHBondContact O-N 2.86Å; A226-D228 PolarHBondContact O-N 2.87Å; A226-D228 VanDerWaalsContact O-N 3.13Å; A226-Y229 HydrophobicContact CB-CD2 3.81Å; A226-Y229 HydrophobicContact CB-CE2 4.36Å; A226-Y229 WeakPolarHBondContact O-CD2 3.16Å; A226-Y229 PolarHBondContact O-N 3.36Å; A226-R260 HydrophobicContact CB-CG 3.94Å; A226-R260 WeakPolarHBondContact O-CD 3.36Å; A226-R260 PolarHBondContact O-NE 2.96Å; A226-R260 VanDerWaalsContact O-NE 3.13Å; A226-M272 HydrophobicContact CB-CE 3.93Å; A226-M272 HydrophobicContact CB-SD 3.6Å
227S94.4Very high96Very high44 Ų4456 Ų5631%0.30832%0.318SS..THydrogen-bonded Turntrans-62.8-22-172.654.80000114.4D223 S224 Y229 R260D223-S227 PolarHBondContact O-N 3.5Å; S224-S227 VanDerWaalsContact O-CB 3.27Å; S224-S227 WeakPolarHBondContact O-CB 3.49Å; S224-S227 PolarHBondContact O-N 2.81Å; S224-S227 VanDerWaalsContact O-N 3.17Å; S224-S227 PolarHBondContact O-OG 2.8Å; S227-Y229 VanDerWaalsContact C-N 3.27Å; S227-Y229 PolarHBondContact O-N 3.02Å; S227-R260 PolarHBondContact O-NH2 3.12Å
228D92.9Very high95.9Very high90 Ų9053.3 Ų53.348%0.48130%0.301SS..THydrogen-bonded Turntrans-74.1-14.1175.6-71-31.4000114K185 A226K185-D228 WeakPolarHBondContact CD-OD1 3.03Å; K185-D228 WeakPolarHBondContact CE-OD1 3.38Å; K185-D228 IonicContact NZ-OD1 3.11Å; K185-D228 PolarHBondContact NZ-OD1 3.13Å; A226-D228 PolarHBondContact O-N 2.87Å; A226-D228 VanDerWaalsContact O-N 3.13Å
229Y95.6Very high95.9Very high74 Ų7451.1 Ų51.129%0.2929%0.29SS..SBendtrans-87.7143.3178.4-60.4-79.8000111.4Y46 A226 S227 L258 R260 M272Y46-Y229 HydrophobicContact CD1-CD2 4.43Å; Y46-Y229 AromaticContact CD1-CE2 3.34Å; Y46-Y229 HydrophobicContact CD1-CE2 3.34Å; Y46-Y229 AromaticContact CD1-CZ 3.74Å; Y46-Y229 WeakPolarHBondContact CD1-OH 3.31Å; Y46-Y229 HydrophobicContact CE1-CD2 4.48Å; Y46-Y229 AromaticContact CE1-CE2 3.56Å; Y46-Y229 HydrophobicContact CE1-CE2 3.56Å; Y46-Y229 AromaticContact CE1-CZ 3.75Å; Y46-Y229 AromaticContact CG-CE2 3.97Å; Y46-Y229 HydrophobicContact CG-CE2 3.97Å; A226-Y229 HydrophobicContact CB-CD2 3.81Å; A226-Y229 HydrophobicContact CB-CE2 4.36Å; A226-Y229 WeakPolarHBondContact O-CD2 3.16Å; A226-Y229 PolarHBondContact O-N 3.36Å; S227-Y229 VanDerWaalsContact C-N 3.27Å; S227-Y229 PolarHBondContact O-N 3.02Å; Y229-L258 HydrophobicContact CD1-CB 3.61Å; Y229-L258 HydrophobicContact CE1-CB 3.71Å; Y229-L258 HydrophobicContact CE1-CD1 3.87Å; Y229-L258 HydrophobicContact CE1-CG 4.43Å; Y229-L258 HydrophobicContact CG-CB 4.42Å; Y229-R260 PolarHBondContact O-NE 3.14Å; Y229-R260 PolarHBondContact O-NH2 3.13Å; Y229-M272 HydrophobicContact CD2-CE 3.91Å; Y229-M272 HydrophobicContact CG-CE 4.02Å
230P96.9Very high95.8Very high66 Ų6651.1 Ų51.143%0.42929%0.293SS..PPolyproline II helixtrans-61.6151.8176.728-36.3000111.1P254 L258 V259 R260P230-P254 HydrophobicContact CG-CG 4.2Å; P230-L258 WeakPolarHBondContact CD-O 3.33Å; P230-V259 HydrophobicContact CG-CG1 4.03Å; P230-V259 CarbonylContact O-C 3.4Å; P230-V259 WeakPolarHBondContact O-CA 3.38Å; P230-R260 PolarHBondContact O-N 2.79Å
231V97.5Very high95.9Very high72 Ų7255 Ų5544%0.43631%0.305SS..EExtended strand (participates in β ladder)trans-97.4131.2178.5-179.60000109.7R260 T262V231-R260 CarbonylContact C-O 3.5Å; V231-R260 WeakPolarHBondContact CA-O 3.5Å; V231-R260 HydrophobicContact CG2-CB 4.27Å; V231-T262 HydrophobicContact CG1-CG2 3.75Å
232V98Very high96Very high4 Ų451 Ų512%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-116109.2168.9178.50000108.4L234 T250 A253 V259 R260 V261 T262 V281V232-L234 HydrophobicContact CG1-CD2 4.22Å; V232-T250 HydrophobicContact CG1-CG2 3.45Å; V232-T250 VanDerWaalsContact CG1-CG2 3.45Å; V232-A253 HydrophobicContact CG1-CB 4.3Å; V232-A253 HydrophobicContact CG2-CB 4.14Å; V232-V259 HydrophobicContact CB-CB 4.48Å; V232-V259 HydrophobicContact CB-CG2 4.24Å; V232-V259 HydrophobicContact CG2-CB 3.85Å; V232-V259 HydrophobicContact CG2-CG1 3.87Å; V232-V259 HydrophobicContact CG2-CG2 3.94Å; V232-R260 PolarHBondContact N-O 3.01Å; V232-V261 WeakPolarHBondContact O-CA 3.38Å; V232-T262 PolarHBondContact O-N 3.44Å; V232-V281 HydrophobicContact CG1-CG2 3.98Å
233N97.8Very high96.1Very high74 Ų7450.7 Ų50.740%0.39628%0.276SS..EExtended strand (participates in β ladder)trans-88.3121.5177.8-166.250.8000110.7T262 E263 G264N233-T262 WeakPolarHBondContact CA-O 3.38Å; N233-T262 VanDerWaalsContact CA-OG1 3.3Å; N233-T262 WeakPolarHBondContact CA-OG1 3.16Å; N233-T262 WeakPolarHBondContact CB-OG1 3.41Å; N233-T262 WeakPolarHBondContact OD1-CB 3.39Å; N233-T262 PolarHBondContact OD1-O 3.27Å; N233-T262 PolarHBondContact OD1-OG1 3.1Å; N233-E263 WeakPolarHBondContact OD1-CA 3.32Å; N233-E263 PolarHBondContact OD1-N 3.47Å; N233-G264 PolarHBondContact ND2-O 3.16Å; N233-G264 PolarHBondContact OD1-O 3.17Å
234L97.9Very high96.1Very high0 Ų055.3 Ų55.30%030%0.3CS..EExtended strand (participates in β ladder)trans-93.9138.7179.3-63.1-179.5000111.2V232 F242 V248 T250 V261 T262 E263 G264V232-L234 HydrophobicContact CG1-CD2 4.22Å; L234-F242 HydrophobicContact CD1-CB 3.72Å; L234-F242 HydrophobicContact CD1-CD1 4.32Å; L234-F242 HydrophobicContact CD1-CD2 4.17Å; L234-F242 HydrophobicContact CD1-CG 3.82Å; L234-V248 HydrophobicContact CD1-CG2 3.74Å; L234-V248 HydrophobicContact CD2-CG2 3.76Å; L234-V248 HydrophobicContact CG-CG2 4.43Å; L234-T250 HydrophobicContact CD2-CG2 3.71Å; L234-V261 HydrophobicContact CD1-CG1 3.47Å; L234-V261 VanDerWaalsContact CD1-CG1 3.47Å; L234-V261 HydrophobicContact CG-CG1 3.74Å; L234-T262 PolarHBondContact N-O 3.36Å; L234-E263 WeakPolarHBondContact O-CA 3.35Å; L234-G264 PolarHBondContact O-N 3.46Å; L234-G264 VanDerWaalsContact O-N 3.07Å
235P96.3Very high96.1Very high64 Ų6456.9 Ų56.942%0.41632%0.318SS..PPolyproline II helixtrans-56.8147.4161.3-20.932.4000110.3T237 S238 S239P235-T237 PolarHBondContact O-N 2.65Å; P235-T237 VanDerWaalsContact O-N 3.1Å; P235-S238 PolarHBondContact O-N 2.94Å; P235-S239 PolarHBondContact O-N 2.97Å
236L95.3Very high96.2Very high108 Ų10860.1 Ų60.157%0.56534%0.335SS*.Hα-helixtrans-57.1-30.3-179.2-66176.4000113S238 S239 V240 E263L236-S238 VanDerWaalsContact C-N 3.35Å; L236-S239 WeakPolarHBondContact CA-OG 3.21Å; L236-S239 PolarHBondContact O-OG 3.17Å; L236-V240 WeakPolarHBondContact O-CG2 3.27Å; L236-V240 PolarHBondContact O-N 2.69Å; L236-E263 HydrophobicContact CD2-CB 4.22Å; L236-E263 HydrophobicContact CD2-CG 4.1Å
237T95.1Very high96.3Very high109 Ų10962.7 Ų62.767%0.66935%0.352SS*.Hα-helixtrans-65-36.9175.848.70000112.6P235 Y241P235-T237 PolarHBondContact O-N 2.65Å; P235-T237 VanDerWaalsContact O-N 3.1Å; T237-Y241 VanDerWaalsContact O-CD2 3.25Å; T237-Y241 WeakPolarHBondContact O-CD2 3.19Å; T237-Y241 WeakPolarHBondContact O-CE2 3.5Å
238S95.8Very high96.5Very high27 Ų2761.1 Ų61.119%0.18934%0.34CS..Hα-helixtrans-84-34.8177.2-61.70000111.9P235 L236 V240 Y241 F242P235-S238 PolarHBondContact O-N 2.94Å; L236-S238 VanDerWaalsContact C-N 3.35Å; S238-V240 VanDerWaalsContact C-N 3.25Å; S238-V240 PolarHBondContact O-N 3.44Å; S238-Y241 PolarHBondContact O-N 3.34Å; S238-Y241 VanDerWaalsContact O-N 3.1Å; S238-F242 PolarHBondContact O-N 3.27Å; S238-F242 VanDerWaalsContact O-N 3.16Å
239S96.3Very high96.6Very high1 Ų164 Ų641%0.00734%0.344CS..Hα-helixtrans-64-29.9-176.376.50000113P235 L236 Y241 F242 K243 E263P235-S239 PolarHBondContact O-N 2.97Å; L236-S239 WeakPolarHBondContact CA-OG 3.21Å; L236-S239 PolarHBondContact O-OG 3.17Å; S239-Y241 PolarHBondContact O-N 3.25Å; S239-F242 PolarHBondContact O-N 3.08Å; S239-K243 WeakPolarHBondContact O-CB 3.37Å; S239-K243 WeakPolarHBondContact O-CG 3.2Å; S239-K243 PolarHBondContact O-N 2.95Å; S239-E263 WeakPolarHBondContact CB-OE2 3.4Å; S239-E263 PolarHBondContact OG-OE2 2.93Å
240V95.6Very high96.5Very high75 Ų7562 Ų6246%0.45534%0.34SS..Hα-helixtrans-58.1-46.9172.3173.40000111.4L236 S238 K243 N244L236-V240 WeakPolarHBondContact O-CG2 3.27Å; L236-V240 PolarHBondContact O-N 2.69Å; S238-V240 VanDerWaalsContact C-N 3.25Å; S238-V240 PolarHBondContact O-N 3.44Å; V240-K243 PolarHBondContact O-N 3.25Å; V240-N244 PolarHBondContact O-N 2.85Å; V240-N244 VanDerWaalsContact O-N 3.12Å; V240-N244 PolarHBondContact O-ND2 2.86Å
241Y97Very high96.3Very high149 Ų14964.2 Ų64.258%0.58436%0.357SS*.Hα-helixtrans-64.2-43.1177.6-68.3-79.5000111.4T237 S238 S239 N244 G245 N246T237-Y241 VanDerWaalsContact O-CD2 3.25Å; T237-Y241 WeakPolarHBondContact O-CD2 3.19Å; T237-Y241 WeakPolarHBondContact O-CE2 3.5Å; S238-Y241 PolarHBondContact O-N 3.34Å; S238-Y241 VanDerWaalsContact O-N 3.1Å; S239-Y241 PolarHBondContact O-N 3.25Å; Y241-N244 CarbonylContact O-C 3.54Å; Y241-N244 PolarHBondContact O-N 3.11Å; Y241-N244 VanDerWaalsContact O-N 3.14Å; Y241-G245 PolarHBondContact O-N 2.79Å; Y241-N246 VanDerWaalsContact O-CB 3.32Å; Y241-N246 WeakPolarHBondContact O-CB 3.46Å; Y241-N246 PolarHBondContact O-N 2.9Å; Y241-N246 PolarHBondContact O-ND2 3.31Å
242F97.5Very high95.8Very high0 Ų064.6 Ų64.60%038%0.376CS..Hα-helixtrans-60.7-46.5177.4-176.2-94.2000112.3L234 S238 S239 N244 G245 N246 V248 V261 I270 V281 P283 L286L234-F242 HydrophobicContact CD1-CB 3.72Å; L234-F242 HydrophobicContact CD1-CD1 4.32Å; L234-F242 HydrophobicContact CD1-CD2 4.17Å; L234-F242 HydrophobicContact CD1-CG 3.82Å; S238-F242 PolarHBondContact O-N 3.27Å; S238-F242 VanDerWaalsContact O-N 3.16Å; S239-F242 PolarHBondContact O-N 3.08Å; F242-N244 PolarHBondContact O-N 3.01Å; F242-G245 PolarHBondContact O-N 2.79Å; F242-N246 WeakPolarHBondContact CA-O 3.48Å; F242-V248 HydrophobicContact CB-CG1 4.28Å; F242-V248 HydrophobicContact CB-CG2 4.33Å; F242-V248 HydrophobicContact CD2-CG2 4.27Å; F242-V261 HydrophobicContact CD1-CG1 4.05Å; F242-V261 HydrophobicContact CE1-CB 3.83Å; F242-V261 HydrophobicContact CE1-CG1 3.77Å; F242-V261 HydrophobicContact CE1-CG2 4.02Å; F242-V261 HydrophobicContact CE2-CG1 4.44Å; F242-V261 HydrophobicContact CE2-CG2 4.02Å; F242-V261 HydrophobicContact CG-CG1 4.49Å; F242-V261 HydrophobicContact CZ-CB 3.85Å; F242-V261 HydrophobicContact CZ-CG1 3.99Å; F242-V261 HydrophobicContact CZ-CG2 3.49Å; F242-V261 VanDerWaalsContact CZ-CG2 3.49Å; F242-I270 HydrophobicContact CD1-CD1 3.69Å; F242-I270 HydrophobicContact CD1-CG1 4.33Å; F242-I270 HydrophobicContact CE1-CD1 4.18Å; F242-I270 HydrophobicContact CE1-CG1 4.34Å; F242-V281 HydrophobicContact CD2-CG1 4.44Å; F242-V281 HydrophobicContact CE2-CG1 3.87Å; F242-P283 HydrophobicContact CD2-CB 4.05Å; F242-P283 HydrophobicContact CD2-CG 4.35Å; F242-P283 HydrophobicContact CE1-CB 4.17Å; F242-P283 VanDerWaalsContact CE2-CA 3.43Å; F242-P283 HydrophobicContact CE2-CB 3.65Å; F242-P283 HydrophobicContact CE2-CG 4.31Å; F242-P283 HydrophobicContact CG-CB 4.46Å; F242-P283 HydrophobicContact CZ-CB 3.71Å; F242-L286 HydrophobicContact CD1-CD2 3.69Å; F242-L286 HydrophobicContact CE1-CD2 3.31Å; F242-L286 HydrophobicContact CZ-CD2 4.15Å
243K96.4Very high95.6Very high67 Ų6765.8 Ų65.829%0.29139%0.385SS..Hα-helixtrans-64.1-24.4176.1-71-170.2-65.8-162.10112.8S239 V240 G245 E263 I270 L286 E289S239-K243 WeakPolarHBondContact O-CB 3.37Å; S239-K243 WeakPolarHBondContact O-CG 3.2Å; S239-K243 PolarHBondContact O-N 2.95Å; V240-K243 PolarHBondContact O-N 3.25Å; K243-G245 VanDerWaalsContact C-N 3.29Å; K243-E263 WeakPolarHBondContact CE-OE2 3.21Å; K243-E263 VanDerWaalsContact NZ-CD 3.3Å; K243-E263 IonicContact NZ-OE1 2.67Å; K243-E263 PolarHBondContact NZ-OE1 2.8Å; K243-E263 IonicContact NZ-OE2 2.89Å; K243-E263 PolarHBondContact NZ-OE2 2.84Å; K243-I270 HydrophobicContact CD-CB 4.35Å; K243-I270 HydrophobicContact CD-CD1 4.44Å; K243-I270 HydrophobicContact CD-CG2 4.17Å; K243-I270 HydrophobicContact CG-CB 4.48Å; K243-I270 HydrophobicContact CG-CD1 4.07Å; K243-L286 VanDerWaalsContact O-CD1 3.23Å; K243-L286 WeakPolarHBondContact O-CD1 3.44Å; K243-E289 IonicContact NZ-OE1 3.88Å
244N95.5Very high95.5Very high118 Ų11864.3 Ų64.363%0.63138%0.38SS*.THydrogen-bonded Turntrans-86.79.3172.6-70.3-22.3000113.8V240 Y241 F242 N246V240-N244 PolarHBondContact O-N 2.85Å; V240-N244 VanDerWaalsContact O-N 3.12Å; V240-N244 PolarHBondContact O-ND2 2.86Å; Y241-N244 CarbonylContact O-C 3.54Å; Y241-N244 PolarHBondContact O-N 3.11Å; Y241-N244 VanDerWaalsContact O-N 3.14Å; F242-N244 PolarHBondContact O-N 3.01Å; N244-N246 PolarHBondContact O-ND2 3.02Å
245G95.7Very high95.3Very high44 Ų4472.2 Ų72.245%0.45442%0.422SS..THydrogen-bonded Turntrans88.57.6176.400000115.1Y241 F242 K243 P283Y241-G245 PolarHBondContact O-N 2.79Å; F242-G245 PolarHBondContact O-N 2.79Å; K243-G245 VanDerWaalsContact C-N 3.29Å; G245-P283 WeakPolarHBondContact O-CG 3.49Å
246N97.6Very high95.3Very high75 Ų7576.9 Ų76.940%0.40144%0.438SS..  trans-94.2134.5-177.6-54.2-83.3000111.2Y241 F242 N244Y241-N246 VanDerWaalsContact O-CB 3.32Å; Y241-N246 WeakPolarHBondContact O-CB 3.46Å; Y241-N246 PolarHBondContact O-N 2.9Å; Y241-N246 PolarHBondContact O-ND2 3.31Å; F242-N246 WeakPolarHBondContact CA-O 3.48Å; N244-N246 PolarHBondContact O-ND2 3.02Å
247P97.5Very high95.3Very high55 Ų5573.3 Ų73.336%0.35743%0.427SS..  trans-61.8142.2168.4-21.533000111.9R280 V281 A282P247-R280 HydrophobicContact CB-CB 3.86Å; P247-V281 WeakPolarHBondContact CA-O 3.44Å; P247-A282 HydrophobicContact CB-CB 4.15Å; P247-A282 HydrophobicContact CG-CB 4.05Å
248V97.8Very high95.4Very high11 Ų1170.5 Ų70.57%0.06741%0.407CS..BIsolated β-bridgetrans-128.2146.8-178.5-61.90000112.3L234 F242 R280 V281L234-V248 HydrophobicContact CD1-CG2 3.74Å; L234-V248 HydrophobicContact CD2-CG2 3.76Å; L234-V248 HydrophobicContact CG-CG2 4.43Å; F242-V248 HydrophobicContact CB-CG1 4.28Å; F242-V248 HydrophobicContact CB-CG2 4.33Å; F242-V248 HydrophobicContact CD2-CG2 4.27Å; V248-R280 CarbonylContact O-C 3.55Å; V248-R280 WeakPolarHBondContact O-CA 3.45Å; V248-V281 HydrophobicContact CG2-CB 4.2Å; V248-V281 PolarHBondContact N-O 2.83Å; V248-V281 PolarHBondContact O-N 3.1Å
249R95.3Very high95.6Very high151 Ų15169.2 Ų69.257%0.5740%0.398SS*.  trans-89.2136.3168.7-68.7-175.2179.6-77.8-5.1109.5E278 R280R249-E278 VanDerWaalsContact CZ-O 3.23Å; R249-E278 PolarHBondContact NH1-O 3.41Å; R249-E278 PolarHBondContact NH2-O 2.8Å; R249-E278 IonicContact NH2-OE2 3.22Å; R249-R280 HydrophobicContact CG-CG 3.8Å
250T94.4Very high95.6Very high32 Ų3271.1 Ų71.120%0.19641%0.405CS..  trans-146.1150.3171-169.30000109.2V232 L234 A253 V281V232-T250 HydrophobicContact CG1-CG2 3.45Å; V232-T250 VanDerWaalsContact CG1-CG2 3.45Å; L234-T250 HydrophobicContact CD2-CG2 3.71Å; T250-A253 HydrophobicContact CG2-CB 4.06Å; T250-V281 HydrophobicContact CG2-CG2 3.94Å
251S91.2Very high95.8Very high113 Ų11367.5 Ų67.579%0.7938%0.384SS*.THydrogen-bonded Turntrans-71.4155170.750.60000110.6A253S251-A253 PolarHBondContact O-N 2.95Å
252G88.8Confident95.8Very high80 Ų8060.9 Ų60.983%0.82536%0.359SS*.THydrogen-bonded Turntrans75.32.917500000115.7
253A92.7Very high95.8Very high28 Ų2861.7 Ų61.723%0.23136%0.362CS..  trans-68.9148.217000000111V232 T250 S251 I275 V281V232-A253 HydrophobicContact CG1-CB 4.3Å; V232-A253 HydrophobicContact CG2-CB 4.14Å; T250-A253 HydrophobicContact CG2-CB 4.06Å; S251-A253 PolarHBondContact O-N 2.95Å; A253-I275 HydrophobicContact CB-CD1 3.99Å; A253-V281 HydrophobicContact CB-CG2 4.19Å
254P95Very high95.7Very high44 Ų4459.2 Ų59.229%0.28636%0.356SS..  trans-63.8167.5170.427.8-32.6000111.3P230 V259 I275P230-P254 HydrophobicContact CG-CG 4.2Å; P254-V259 HydrophobicContact CG-CG1 3.52Å; P254-I275 HydrophobicContact CG-CD1 4.33Å; P254-I275 HydrophobicContact CG-CG1 4.01Å; P254-I275 WeakPolarHBondContact O-CG1 3.33Å
255L93.8Very high95.7Very high166 Ų16663 Ų6387%0.86937%0.37SS*.SBendtrans-75.3-27.6-178.2-64177.5000113.5I275L255-I275 WeakPolarHBondContact O-CG2 3.44Å
256E96.2Very high95.6Very high162 Ų16268.5 Ų68.576%0.75739%0.389SS*.SBendtrans-155.4168.9-176.362.8-178.3-175.100111.1
257G96.8Very high95.5Very high32 Ų3266.4 Ų66.433%0.3339%0.385SS..EExtended strand (participates in β ladder)trans89.3-178167.500000115.7E274 I275G257-E274 WeakPolarHBondContact O-CA 3.43Å; G257-I275 PolarHBondContact O-N 3.07Å
258L97.5Very high95.5Very high51 Ų5168.3 Ų68.327%0.26739%0.388SS..EExtended strand (participates in β ladder)trans-77.4140.9-178.7-72.8172.3000111.8Y46 Y229 P230 G273 E274 R284Y46-L258 HydrophobicContact CE1-CD1 4.31Å; Y229-L258 HydrophobicContact CD1-CB 3.61Å; Y229-L258 HydrophobicContact CE1-CB 3.71Å; Y229-L258 HydrophobicContact CE1-CD1 3.87Å; Y229-L258 HydrophobicContact CE1-CG 4.43Å; Y229-L258 HydrophobicContact CG-CB 4.42Å; P230-L258 WeakPolarHBondContact CD-O 3.33Å; L258-G273 WeakPolarHBondContact CA-O 3.25Å; L258-E274 HydrophobicContact CD2-CB 4.03Å; L258-E274 HydrophobicContact CD2-CG 4.24Å; L258-R284 HydrophobicContact CD2-CG 4.45Å
259V98.2Very high95.4Very high0 Ų069 Ų690%039%0.39CS..EExtended strand (participates in β ladder)trans-133.4147.2178.3-52.20000111P230 V232 P254 V261 M272 G273 I275 V281P230-V259 HydrophobicContact CG-CG1 4.03Å; P230-V259 CarbonylContact O-C 3.4Å; P230-V259 WeakPolarHBondContact O-CA 3.38Å; V232-V259 HydrophobicContact CB-CB 4.48Å; V232-V259 HydrophobicContact CB-CG2 4.24Å; V232-V259 HydrophobicContact CG2-CB 3.85Å; V232-V259 HydrophobicContact CG2-CG1 3.87Å; V232-V259 HydrophobicContact CG2-CG2 3.94Å; P254-V259 HydrophobicContact CG-CG1 3.52Å; V259-V261 HydrophobicContact CG2-CG2 3.78Å; V259-M272 WeakPolarHBondContact O-CA 3.47Å; V259-M272 WeakPolarHBondContact O-CE 3.34Å; V259-G273 PolarHBondContact N-O 2.87Å; V259-G273 PolarHBondContact O-N 2.94Å; V259-I275 HydrophobicContact CG1-CD1 4.12Å; V259-I275 HydrophobicContact CG1-CG1 4.19Å; V259-V281 HydrophobicContact CG2-CG1 3.83Å
260R98Very high95.5Very high40 Ų4062 Ų6215%0.15136%0.364CS..EExtended strand (participates in β ladder)trans-78.2131.9161-73.7-178.1-71.4163.1-4.7108.4D223 A226 S227 Y229 P230 V231 V232 F269 M272D223-R260 VanDerWaalsContact OD2-CD 3.31Å; D223-R260 WeakPolarHBondContact OD2-CD 3.32Å; D223-R260 IonicContact OD2-CZ 2.71Å; D223-R260 IonicContact OD2-NE 2.67Å; D223-R260 IonicContact OD2-NH1 3.61Å; D223-R260 PolarHBondContact OD2-NH1 2.96Å; A226-R260 HydrophobicContact CB-CG 3.94Å; A226-R260 WeakPolarHBondContact O-CD 3.36Å; A226-R260 PolarHBondContact O-NE 2.96Å; A226-R260 VanDerWaalsContact O-NE 3.13Å; S227-R260 PolarHBondContact O-NH2 3.12Å; Y229-R260 PolarHBondContact O-NE 3.14Å; Y229-R260 PolarHBondContact O-NH2 3.13Å; P230-R260 PolarHBondContact O-N 2.79Å; V231-R260 CarbonylContact C-O 3.5Å; V231-R260 WeakPolarHBondContact CA-O 3.5Å; V231-R260 HydrophobicContact CG2-CB 4.27Å; V232-R260 PolarHBondContact N-O 3.01Å; R260-F269 HydrophobicContact CB-CD2 4.37Å; R260-F269 HydrophobicContact CB-CE2 3.99Å; R260-F269 HydrophobicContact CG-CE2 4.05Å; R260-M272 HydrophobicContact CB-SD 4.4Å; R260-M272 HydrophobicContact CG-CE 4.1Å; R260-M272 HydrophobicContact CG-SD 3.66Å
261V98.1Very high95.7Very high0 Ų060.4 Ų60.40%035%0.354CS..EExtended strand (participates in β ladder)trans-108.6124-179.8-172.40000109.5V232 L234 F242 V259 F269 I270 G271 V281V232-V261 WeakPolarHBondContact O-CA 3.38Å; L234-V261 HydrophobicContact CD1-CG1 3.47Å; L234-V261 VanDerWaalsContact CD1-CG1 3.47Å; L234-V261 HydrophobicContact CG-CG1 3.74Å; F242-V261 HydrophobicContact CD1-CG1 4.05Å; F242-V261 HydrophobicContact CE1-CB 3.83Å; F242-V261 HydrophobicContact CE1-CG1 3.77Å; F242-V261 HydrophobicContact CE1-CG2 4.02Å; F242-V261 HydrophobicContact CE2-CG1 4.44Å; F242-V261 HydrophobicContact CE2-CG2 4.02Å; F242-V261 HydrophobicContact CG-CG1 4.49Å; F242-V261 HydrophobicContact CZ-CB 3.85Å; F242-V261 HydrophobicContact CZ-CG1 3.99Å; F242-V261 HydrophobicContact CZ-CG2 3.49Å; F242-V261 VanDerWaalsContact CZ-CG2 3.49Å; V259-V261 HydrophobicContact CG2-CG2 3.78Å; V261-F269 WeakPolarHBondContact O-CD2 3.32Å; V261-I270 HydrophobicContact CB-CG1 4.19Å; V261-I270 HydrophobicContact CG1-CD1 3.88Å; V261-I270 HydrophobicContact CG1-CG1 3.89Å; V261-I270 VanDerWaalsContact O-CG1 3.32Å; V261-I270 WeakPolarHBondContact O-CG1 3.14Å; V261-I270 PolarHBondContact O-N 3.41Å; V261-G271 PolarHBondContact N-O 2.75Å; V261-G271 PolarHBondContact O-N 2.84Å; V261-V281 HydrophobicContact CG2-CG1 3.8Å
262T97.8Very high96Very high10 Ų1055 Ų556%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-115.9164.9174.660.60000110.3V231 V232 N233 L234 G267 K268 F269V231-T262 HydrophobicContact CG1-CG2 3.75Å; V232-T262 PolarHBondContact O-N 3.44Å; N233-T262 WeakPolarHBondContact CA-O 3.38Å; N233-T262 VanDerWaalsContact CA-OG1 3.3Å; N233-T262 WeakPolarHBondContact CA-OG1 3.16Å; N233-T262 WeakPolarHBondContact CB-OG1 3.41Å; N233-T262 WeakPolarHBondContact OD1-CB 3.39Å; N233-T262 PolarHBondContact OD1-O 3.27Å; N233-T262 PolarHBondContact OD1-OG1 3.1Å; L234-T262 PolarHBondContact N-O 3.36Å; T262-G267 WeakPolarHBondContact CB-O 3.39Å; T262-G267 WeakPolarHBondContact CG2-O 3.36Å; T262-K268 CarbonylContact C-O 3.58Å; T262-K268 WeakPolarHBondContact CA-O 3.44Å; T262-F269 HydrophobicContact CG2-CB 4.42Å
263E96.9Very high96.4Very high16 Ų1651.2 Ų51.28%0.07528%0.277CS..EExtended strand (participates in β ladder)trans-131.3147.417572-178.2-179.800113.6N233 L234 L236 S239 K243 G267 K268 I270N233-E263 WeakPolarHBondContact OD1-CA 3.32Å; N233-E263 PolarHBondContact OD1-N 3.47Å; L234-E263 WeakPolarHBondContact O-CA 3.35Å; L236-E263 HydrophobicContact CD2-CB 4.22Å; L236-E263 HydrophobicContact CD2-CG 4.1Å; S239-E263 WeakPolarHBondContact CB-OE2 3.4Å; S239-E263 PolarHBondContact OG-OE2 2.93Å; K243-E263 WeakPolarHBondContact CE-OE2 3.21Å; K243-E263 VanDerWaalsContact NZ-CD 3.3Å; K243-E263 IonicContact NZ-OE1 2.67Å; K243-E263 PolarHBondContact NZ-OE1 2.8Å; K243-E263 IonicContact NZ-OE2 2.89Å; K243-E263 PolarHBondContact NZ-OE2 2.84Å; E263-G267 PolarHBondContact O-N 2.8Å; E263-K268 HydrophobicContact CG-CB 4.22Å; E263-K268 PolarHBondContact N-O 2.99Å; E263-K268 PolarHBondContact O-N 2.81Å; E263-K268 VanDerWaalsContact O-N 3.09Å; E263-I270 HydrophobicContact CB-CD1 4.24Å; E263-I270 HydrophobicContact CB-CG2 4.31Å; E263-I270 VanDerWaalsContact CD-CG2 3.48Å; E263-I270 HydrophobicContact CG-CG2 3.69Å
264G96Very high96.7Very high16 Ų1653 Ų5317%0.16528%0.281CS..THydrogen-bonded Turntrans69.9-170.717000000114.8N233 L234 G267N233-G264 PolarHBondContact ND2-O 3.16Å; N233-G264 PolarHBondContact OD1-O 3.17Å; L234-G264 PolarHBondContact O-N 3.46Å; L234-G264 VanDerWaalsContact O-N 3.07Å; G264-G267 PolarHBondContact O-N 3.29Å
265E95.1Very high96.8Very high197 Ų19751.4 Ų51.492%0.92127%0.27SS*.THydrogen-bonded Turntrans-70.4-33.1-176.6-64.3-178.9174.100112.6G267E265-G267 PolarHBondContact O-N 2.98Å
266N93.9Very high96.9Very high160 Ų16045.1 Ų45.186%0.85624%0.237SC*.THydrogen-bonded Turntrans-77-5.6178.4-65.3-20.2000113.1K268N266-K268 VanDerWaalsContact C-N 3.29Å; N266-K268 PolarHBondContact O-N 3.01Å
267G95.4Very high96.9Very high31 Ų3146 Ų4632%0.3225%0.247SC..THydrogen-bonded Turntrans5938.9-179.200000113T262 E263 G264 E265 F269T262-G267 WeakPolarHBondContact CB-O 3.39Å; T262-G267 WeakPolarHBondContact CG2-O 3.36Å; E263-G267 PolarHBondContact O-N 2.8Å; G264-G267 PolarHBondContact O-N 3.29Å; E265-G267 PolarHBondContact O-N 2.98Å; G267-F269 PolarHBondContact O-N 3.31Å
268K95.9Very high96.7Very high95 Ų9549.4 Ų49.441%0.41325%0.254SS..EExtended strand (participates in β ladder)trans-63.1122.2-178.3-178.5-169.9-178.3-171.10109.3T262 E263 N266 I270 E289T262-K268 CarbonylContact C-O 3.58Å; T262-K268 WeakPolarHBondContact CA-O 3.44Å; E263-K268 HydrophobicContact CG-CB 4.22Å; E263-K268 PolarHBondContact N-O 2.99Å; E263-K268 PolarHBondContact O-N 2.81Å; E263-K268 VanDerWaalsContact O-N 3.09Å; N266-K268 VanDerWaalsContact C-N 3.29Å; N266-K268 PolarHBondContact O-N 3.01Å; K268-I270 PolarHBondContact O-N 2.91Å; K268-E289 IonicContact NZ-OE1 2.74Å; K268-E289 PolarHBondContact NZ-OE1 3.32Å; K268-E289 IonicContact NZ-OE2 2.87Å; K268-E289 PolarHBondContact NZ-OE2 2.89Å
269F97.2Very high96.6Very high25 Ų2548.7 Ų48.711%0.1126%0.26CS..EExtended strand (participates in β ladder)trans-66128.3175.2178.9-109.6000111.6F43 D223 R260 V261 T262 G267 G271 M272 V287F43-F269 HydrophobicContact CD1-CZ 4.42Å; F43-F269 HydrophobicContact CD2-CE1 4.19Å; F43-F269 HydrophobicContact CE1-CE1 4.09Å; F43-F269 AromaticContact CE1-CZ 3.98Å; F43-F269 HydrophobicContact CE1-CZ 3.98Å; F43-F269 AromaticContact CE2-CE1 3.62Å; F43-F269 HydrophobicContact CE2-CE1 3.62Å; F43-F269 HydrophobicContact CE2-CZ 4.29Å; F43-F269 AromaticContact CZ-CE1 3.55Å; F43-F269 HydrophobicContact CZ-CE1 3.55Å; F43-F269 AromaticContact CZ-CZ 3.92Å; F43-F269 HydrophobicContact CZ-CZ 3.92Å; D223-F269 HydrophobicContact CB-CB 4.26Å; D223-F269 HydrophobicContact CB-CD1 3.73Å; D223-F269 HydrophobicContact CB-CD2 3.53Å; D223-F269 HydrophobicContact CB-CE1 3.8Å; D223-F269 HydrophobicContact CB-CE2 3.61Å; D223-F269 HydrophobicContact CB-CG 3.58Å; D223-F269 HydrophobicContact CB-CZ 3.74Å; R260-F269 HydrophobicContact CB-CD2 4.37Å; R260-F269 HydrophobicContact CB-CE2 3.99Å; R260-F269 HydrophobicContact CG-CE2 4.05Å; V261-F269 WeakPolarHBondContact O-CD2 3.32Å; T262-F269 HydrophobicContact CG2-CB 4.42Å; G267-F269 PolarHBondContact O-N 3.31Å; F269-G271 VanDerWaalsContact CE2-C 3.47Å; F269-G271 WeakPolarHBondContact CE2-O 3.32Å; F269-G271 VanDerWaalsContact CZ-C 3.43Å; F269-G271 VanDerWaalsContact CZ-CA 3.48Å; F269-G271 WeakPolarHBondContact CZ-O 3.37Å; F269-M272 HydrophobicContact CE2-SD 4.18Å; F269-M272 HydrophobicContact CZ-CG 4.46Å; F269-M272 HydrophobicContact CZ-SD 4.1Å; F269-V287 HydrophobicContact CD1-CG2 3.74Å; F269-V287 HydrophobicContact CE1-CG2 3.71Å
270I96.9Very high96.5Very high3 Ų351.8 Ų51.82%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-119.3-8.6-179.158.7169.3000113.4F242 K243 V261 E263 K268 V287F242-I270 HydrophobicContact CD1-CD1 3.69Å; F242-I270 HydrophobicContact CD1-CG1 4.33Å; F242-I270 HydrophobicContact CE1-CD1 4.18Å; F242-I270 HydrophobicContact CE1-CG1 4.34Å; K243-I270 HydrophobicContact CD-CB 4.35Å; K243-I270 HydrophobicContact CD-CD1 4.44Å; K243-I270 HydrophobicContact CD-CG2 4.17Å; K243-I270 HydrophobicContact CG-CB 4.48Å; K243-I270 HydrophobicContact CG-CD1 4.07Å; V261-I270 HydrophobicContact CB-CG1 4.19Å; V261-I270 HydrophobicContact CG1-CD1 3.88Å; V261-I270 HydrophobicContact CG1-CG1 3.89Å; V261-I270 VanDerWaalsContact O-CG1 3.32Å; V261-I270 WeakPolarHBondContact O-CG1 3.14Å; V261-I270 PolarHBondContact O-N 3.41Å; E263-I270 HydrophobicContact CB-CD1 4.24Å; E263-I270 HydrophobicContact CB-CG2 4.31Å; E263-I270 VanDerWaalsContact CD-CG2 3.48Å; E263-I270 HydrophobicContact CG-CG2 3.69Å; K268-I270 PolarHBondContact O-N 2.91Å; I270-V287 PolarHBondContact O-N 3.09Å
271G97.5Very high96.5Very high0 Ų049.9 Ų49.90%026%0.264CS..EExtended strand (participates in β ladder)trans147.9-171.4173.500000114.3V261 F269 R285V261-G271 PolarHBondContact N-O 2.75Å; V261-G271 PolarHBondContact O-N 2.84Å; F269-G271 VanDerWaalsContact CE2-C 3.47Å; F269-G271 WeakPolarHBondContact CE2-O 3.32Å; F269-G271 VanDerWaalsContact CZ-C 3.43Å; F269-G271 VanDerWaalsContact CZ-CA 3.48Å; F269-G271 WeakPolarHBondContact CZ-O 3.37Å; G271-R285 CarbonylContact C-O 3.54Å; G271-R285 WeakPolarHBondContact CA-O 3.41Å
272M97.9Very high96.5Very high0 Ų050.4 Ų50.40%027%0.269CS..EExtended strand (participates in β ladder)trans-95.6140.1173.6-61.1-59.1-62.900110.5F43 Y46 A226 Y229 V259 R260 F269 R284 R285F43-M272 HydrophobicContact CD1-CG 3.75Å; F43-M272 HydrophobicContact CE1-CG 3.82Å; Y46-M272 HydrophobicContact CE2-CE 4.32Å; Y46-M272 HydrophobicContact CE2-CG 3.93Å; Y46-M272 HydrophobicContact CE2-SD 4.3Å; Y46-M272 WeakPolarHBondContact OH-CG 3.29Å; A226-M272 HydrophobicContact CB-CE 3.93Å; A226-M272 HydrophobicContact CB-SD 3.6Å; Y229-M272 HydrophobicContact CD2-CE 3.91Å; Y229-M272 HydrophobicContact CG-CE 4.02Å; V259-M272 WeakPolarHBondContact O-CA 3.47Å; V259-M272 WeakPolarHBondContact O-CE 3.34Å; R260-M272 HydrophobicContact CB-SD 4.4Å; R260-M272 HydrophobicContact CG-CE 4.1Å; R260-M272 HydrophobicContact CG-SD 3.66Å; F269-M272 HydrophobicContact CE2-SD 4.18Å; F269-M272 HydrophobicContact CZ-CG 4.46Å; F269-M272 HydrophobicContact CZ-SD 4.1Å; M272-R284 PolarHBondContact O-N 2.89Å; M272-R285 HydrophobicContact CB-CB 4.3Å; M272-R285 PolarHBondContact N-O 3.4Å; M272-R285 PolarHBondContact O-N 3.35Å; M272-R285 VanDerWaalsContact O-N 3.12Å
273G98Very high96.5Very high0 Ų051.2 Ų51.20%027%0.274CS..EExtended strand (participates in β ladder)trans-124.2171.6170.500000111.7L258 V259 A282L258-G273 WeakPolarHBondContact CA-O 3.25Å; V259-G273 PolarHBondContact N-O 2.87Å; V259-G273 PolarHBondContact O-N 2.94Å; G273-A282 CarbonylContact C-O 3.45Å; G273-A282 WeakPolarHBondContact CA-O 3.38Å
274E98.2Very high96.5Very high64 Ų6457.8 Ų57.830%0.29930%0.298SS..EExtended strand (participates in β ladder)trans-135.8140.6171.5-168.9173.4-162.200108.6G257 L258 D276 A282 R284G257-E274 WeakPolarHBondContact O-CA 3.43Å; L258-E274 HydrophobicContact CD2-CB 4.03Å; L258-E274 HydrophobicContact CD2-CG 4.24Å; E274-D276 PolarHBondContact O-N 3.21Å; E274-A282 PolarHBondContact N-O 3.07Å; E274-A282 PolarHBondContact O-N 2.74Å; E274-R284 HydrophobicContact CB-CG 3.81Å; E274-R284 IonicContact OE2-CZ 2.9Å; E274-R284 IonicContact OE2-NE 2.79Å; E274-R284 PolarHBondContact OE2-NE 3.3Å; E274-R284 IonicContact OE2-NH2 2.76Å; E274-R284 PolarHBondContact OE2-NH2 2.68Å
275I98Very high96.5Very high12 Ų1262.6 Ų62.66%0.06231%0.311CS..EExtended strand (participates in β ladder)trans-74.5120.6173.1-50.7-57.5000108.4A253 P254 L255 G257 V259 R280 V281A253-I275 HydrophobicContact CB-CD1 3.99Å; P254-I275 HydrophobicContact CG-CD1 4.33Å; P254-I275 HydrophobicContact CG-CG1 4.01Å; P254-I275 WeakPolarHBondContact O-CG1 3.33Å; L255-I275 WeakPolarHBondContact O-CG2 3.44Å; G257-I275 PolarHBondContact O-N 3.07Å; V259-I275 HydrophobicContact CG1-CD1 4.12Å; V259-I275 HydrophobicContact CG1-CG1 4.19Å; I275-R280 CarbonylContact C-O 3.57Å; I275-R280 WeakPolarHBondContact CA-O 3.09Å; I275-V281 HydrophobicContact CD1-CB 4.48Å; I275-V281 HydrophobicContact CD1-CG2 3.86Å
276D96.5Very high96.5Very high33 Ų3355.3 Ų55.318%0.17628%0.278CS..  trans-83.5173.3177.573.79.4000112.5E274 E278 G279 R280 A282E274-D276 PolarHBondContact O-N 3.21Å; D276-E278 PolarHBondContact O-N 3.2Å; D276-E278 WeakPolarHBondContact OD1-CA 3.3Å; D276-E278 WeakPolarHBondContact OD1-CB 3.49Å; D276-E278 PolarHBondContact OD1-N 3.26Å; D276-G279 PolarHBondContact O-N 2.9Å; D276-G279 PolarHBondContact OD1-N 2.8Å; D276-R280 PolarHBondContact N-O 3.06Å; D276-R280 WeakPolarHBondContact OD1-CB 3.47Å; D276-R280 PolarHBondContact OD1-N 2.76Å; D276-R280 IonicContact OD1-NE 3.56Å; D276-R280 IonicContact OD2-CZ 2.93Å; D276-R280 IonicContact OD2-NE 3.68Å; D276-R280 PolarHBondContact OD2-NE 3.19Å; D276-R280 IonicContact OD2-NH2 2.66Å; D276-R280 PolarHBondContact OD2-NH2 2.58Å; D276-A282 HydrophobicContact CB-CB 4.43Å
277D94.3Very high96.6Very high181 Ų18148.8 Ų48.897%0.96824%0.244SC*.THydrogen-bonded Turntrans-60.5-16-178.7-57.9-26.7000113.8
278E93.9Very high96.4Very high103 Ų10350.7 Ų50.748%0.48125%0.249SC..THydrogen-bonded Turntrans-94.21.7176.1-67.7-177.6-135.400112.9R249 D276 R280R249-E278 VanDerWaalsContact CZ-O 3.23Å; R249-E278 PolarHBondContact NH1-O 3.41Å; R249-E278 PolarHBondContact NH2-O 2.8Å; R249-E278 IonicContact NH2-OE2 3.22Å; D276-E278 PolarHBondContact O-N 3.2Å; D276-E278 WeakPolarHBondContact OD1-CA 3.3Å; D276-E278 WeakPolarHBondContact OD1-CB 3.49Å; D276-E278 PolarHBondContact OD1-N 3.26Å; E278-R280 HydrophobicContact CB-CG 4.15Å; E278-R280 IonicContact OE1-CZ 3.89Å; E278-R280 VanDerWaalsContact OE1-CZ 3.23Å; E278-R280 IonicContact OE1-NH1 2.94Å; E278-R280 PolarHBondContact OE1-NH1 2.92Å; E278-R280 VanDerWaalsContact OE1-NH1 3.11Å; E278-R280 IonicContact OE1-NH2 2.75Å; E278-R280 PolarHBondContact OE1-NH2 3.27Å; E278-R280 IonicContact OE2-CZ 2.79Å; E278-R280 IonicContact OE2-NE 3.69Å; E278-R280 IonicContact OE2-NH1 3.73Å; E278-R280 PolarHBondContact OE2-NH1 2.94Å; E278-R280 IonicContact OE2-NH2 2.79Å
279G94.1Very high95.6Very high37 Ų3750.6 Ų50.638%0.38125%0.251SS..SBendtrans72.526.4-175.700000113.4D276D276-G279 PolarHBondContact O-N 2.9Å; D276-G279 PolarHBondContact OD1-N 2.8Å
280R97Very high94.2Very high64 Ų6457.3 Ų57.324%0.24228%0.276CS..  trans-98.5150.3174.4-51.5178.6-63.4-145.1-10.5110P247 V248 R249 I275 D276 E278 A282P247-R280 HydrophobicContact CB-CB 3.86Å; V248-R280 CarbonylContact O-C 3.55Å; V248-R280 WeakPolarHBondContact O-CA 3.45Å; R249-R280 HydrophobicContact CG-CG 3.8Å; I275-R280 CarbonylContact C-O 3.57Å; I275-R280 WeakPolarHBondContact CA-O 3.09Å; D276-R280 PolarHBondContact N-O 3.06Å; D276-R280 WeakPolarHBondContact OD1-CB 3.47Å; D276-R280 PolarHBondContact OD1-N 2.76Å; D276-R280 IonicContact OD1-NE 3.56Å; D276-R280 IonicContact OD2-CZ 2.93Å; D276-R280 IonicContact OD2-NE 3.68Å; D276-R280 PolarHBondContact OD2-NE 3.19Å; D276-R280 IonicContact OD2-NH2 2.66Å; D276-R280 PolarHBondContact OD2-NH2 2.58Å; E278-R280 HydrophobicContact CB-CG 4.15Å; E278-R280 IonicContact OE1-CZ 3.89Å; E278-R280 VanDerWaalsContact OE1-CZ 3.23Å; E278-R280 IonicContact OE1-NH1 2.94Å; E278-R280 PolarHBondContact OE1-NH1 2.92Å; E278-R280 VanDerWaalsContact OE1-NH1 3.11Å; E278-R280 IonicContact OE1-NH2 2.75Å; E278-R280 PolarHBondContact OE1-NH2 3.27Å; E278-R280 IonicContact OE2-CZ 2.79Å; E278-R280 IonicContact OE2-NE 3.69Å; E278-R280 IonicContact OE2-NH1 3.73Å; E278-R280 PolarHBondContact OE2-NH1 2.94Å; E278-R280 IonicContact OE2-NH2 2.79Å; R280-A282 PolarHBondContact O-N 3.47Å
281V98.2Very high92.3Very high0 Ų063 Ų630%031%0.314CS..EExtended strand (participates in β ladder)trans-82.7101.9172.3-168.50000108.4V232 F242 P247 V248 T250 A253 V259 V261 I275V232-V281 HydrophobicContact CG1-CG2 3.98Å; F242-V281 HydrophobicContact CD2-CG1 4.44Å; F242-V281 HydrophobicContact CE2-CG1 3.87Å; P247-V281 WeakPolarHBondContact CA-O 3.44Å; V248-V281 HydrophobicContact CG2-CB 4.2Å; V248-V281 PolarHBondContact N-O 2.83Å; V248-V281 PolarHBondContact O-N 3.1Å; T250-V281 HydrophobicContact CG2-CG2 3.94Å; A253-V281 HydrophobicContact CB-CG2 4.19Å; V259-V281 HydrophobicContact CG2-CG1 3.83Å; V261-V281 HydrophobicContact CG2-CG1 3.8Å; I275-V281 HydrophobicContact CD1-CB 4.48Å; I275-V281 HydrophobicContact CD1-CG2 3.86Å
282A98.2Very high90Very high12 Ų1271.4 Ų71.410%0.09938%0.383CS..EExtended strand (participates in β ladder)trans-90.6133.6178.800000111.3P247 G273 E274 D276 R280P247-A282 HydrophobicContact CB-CB 4.15Å; P247-A282 HydrophobicContact CG-CB 4.05Å; G273-A282 CarbonylContact C-O 3.45Å; G273-A282 WeakPolarHBondContact CA-O 3.38Å; E274-A282 PolarHBondContact N-O 3.07Å; E274-A282 PolarHBondContact O-N 2.74Å; D276-A282 HydrophobicContact CB-CB 4.43Å; R280-A282 PolarHBondContact O-N 3.47Å
283P97.8Very high89.6Confident26 Ų2675 Ų7517%0.16940%0.402CS..EExtended strand (participates in β ladder)trans-70.3133.5-179.224.8-30000112.1F242 G245 L286F242-P283 HydrophobicContact CD2-CB 4.05Å; F242-P283 HydrophobicContact CD2-CG 4.35Å; F242-P283 HydrophobicContact CE1-CB 4.17Å; F242-P283 VanDerWaalsContact CE2-CA 3.43Å; F242-P283 HydrophobicContact CE2-CB 3.65Å; F242-P283 HydrophobicContact CE2-CG 4.31Å; F242-P283 HydrophobicContact CG-CB 4.46Å; F242-P283 HydrophobicContact CZ-CB 3.71Å; G245-P283 WeakPolarHBondContact O-CG 3.49Å; P283-L286 HydrophobicContact CB-CD1 4.48Å; P283-L286 HydrophobicContact CB-CD2 4.11Å; P283-L286 HydrophobicContact CB-CG 4.34Å
284R96.7Very high89.1Confident154 Ų15478.9 Ų78.958%0.58142%0.423SS*.EExtended strand (participates in β ladder)trans-114-42.8176.2-68.5-56.6-170.3-166.6-0.7113L258 M272 E274L258-R284 HydrophobicContact CD2-CG 4.45Å; M272-R284 PolarHBondContact O-N 2.89Å; E274-R284 HydrophobicContact CB-CG 3.81Å; E274-R284 IonicContact OE2-CZ 2.9Å; E274-R284 IonicContact OE2-NE 2.79Å; E274-R284 PolarHBondContact OE2-NE 3.3Å; E274-R284 IonicContact OE2-NH2 2.76Å; E274-R284 PolarHBondContact OE2-NH2 2.68Å
285R95.9Very high88.6Confident118 Ų11879.8 Ų79.845%0.44543%0.43SS..EExtended strand (participates in β ladder)trans-149.5107.8179.5-167.665.5168.1179.6-0.6111K42 F43 G271 M272K42-R285 HydrophobicContact CB-CG 4.11Å; F43-R285 HydrophobicContact CD1-CG 4.32Å; F43-R285 HydrophobicContact CE1-CB 4.08Å; F43-R285 HydrophobicContact CE1-CG 3.79Å; F43-R285 HydrophobicContact CZ-CG 4.49Å; G271-R285 CarbonylContact C-O 3.54Å; G271-R285 WeakPolarHBondContact CA-O 3.41Å; M272-R285 HydrophobicContact CB-CB 4.3Å; M272-R285 PolarHBondContact N-O 3.4Å; M272-R285 PolarHBondContact O-N 3.35Å; M272-R285 VanDerWaalsContact O-N 3.12Å
286L96.1Very high88.1Confident43 Ų4383.8 Ų83.823%0.22545%0.452CS..EExtended strand (participates in β ladder)trans-92.1145.4-177.9-61.5173.3000112.5K42 F242 K243 P283K42-L286 PolarHBondContact NZ-O 3.33Å; F242-L286 HydrophobicContact CD1-CD2 3.69Å; F242-L286 HydrophobicContact CE1-CD2 3.31Å; F242-L286 HydrophobicContact CZ-CD2 4.15Å; K243-L286 VanDerWaalsContact O-CD1 3.23Å; K243-L286 WeakPolarHBondContact O-CD1 3.44Å; P283-L286 HydrophobicContact CB-CD1 4.48Å; P283-L286 HydrophobicContact CB-CD2 4.11Å; P283-L286 HydrophobicContact CB-CG 4.34Å
287V95.5Very high87.5Confident24 Ų2486.9 Ų86.915%0.14547%0.469CS..PPolyproline II helixtrans-71133.8163.5-179.90000108.1E39 F43 M222 F269 I270E39-V287 HydrophobicContact CB-CG1 4.18Å; E39-V287 HydrophobicContact CG-CG1 4.23Å; F43-V287 HydrophobicContact CE2-CG2 3.97Å; F43-V287 HydrophobicContact CZ-CG2 3.78Å; M222-V287 HydrophobicContact CE-CG1 4.32Å; M222-V287 HydrophobicContact SD-CB 4.42Å; M222-V287 HydrophobicContact SD-CG1 3.81Å; M222-V287 HydrophobicContact SD-CG2 3.67Å; F269-V287 HydrophobicContact CD1-CG2 3.74Å; F269-V287 HydrophobicContact CE1-CG2 3.71Å; I270-V287 PolarHBondContact O-N 3.09Å
288V90.1Very high87.1Confident70 Ų7080.7 Ų80.742%0.42444%0.436SS..PPolyproline II helixtrans-91.2119.4171.21710000107.6E39 Y290E39-V288 PolarHBondContact OE2-N 3.47Å; V288-Y290 HydrophobicContact CG1-CE1 4.44Å; V288-Y290 HydrophobicContact CG1-CE2 4.4Å
289E80.2Confident86.6Confident94 Ų9479.1 Ų79.144%0.43943%0.433SS..PPolyproline II helixtrans-82.5122.3171.8-59.9-173.8-164.800108.4K243 K268K243-E289 IonicContact NZ-OE1 3.88Å; K268-E289 IonicContact NZ-OE1 2.74Å; K268-E289 PolarHBondContact NZ-OE1 3.32Å; K268-E289 IonicContact NZ-OE2 2.87Å; K268-E289 PolarHBondContact NZ-OE2 2.89Å
290Y67.2Low86Confident165 Ų16582.3 Ų82.365%0.64744%0.437SS*.PPolyproline II helixtrans-85.8136167.8-61.1-86.7000107.5E39 V288 A292E39-Y290 HydrophobicContact CG-CE2 4.22Å; V288-Y290 HydrophobicContact CG1-CE1 4.44Å; V288-Y290 HydrophobicContact CG1-CE2 4.4Å; Y290-A292 PolarHBondContact O-N 3.35Å
291P56.6Low85.1Confident124 Ų12483.8 Ų83.881%0.80545%0.453SS*.PPolyproline II helixtrans-53.4134162.9-17.429.3000108.3
292A49Very low83.9Confident176 Ų17691.5 Ų91.5100%1.45549%0.494SS*.  trans-61.20171.400000111Y290Y290-A292 PolarHBondContact O-N 3.35Å

Retrieved 292 of 292 residues in 225.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).