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Pyruvate kinase

AlphaFold DB (Q2FXM9), UniProt , Accession Q99TG5, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene pyk, Length 585 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M73Confident95.7Very high81 Ų8111.8 Ų11.840%0.3996%0.058SC..  0146.40-175.9-162.2-76.100107.5K3 D396 Q417 R443M1-K3 PolarHBondContact O-N 2.76Å; M1-D396 WeakPolarHBondContact CB-OD1 3.38Å; M1-D396 HydrophobicContact CE-CB 3.88Å; M1-D396 WeakPolarHBondContact CE-OD2 3.47Å; M1-D396 HydrophobicContact SD-CB 4.36Å; M1-Q417 HydrophobicContact CE-CG 4.05Å; M1-Q417 HydrophobicContact SD-CG 3.47Å; M1-Q417 WeakPolarHBondContact SD-CG 3.5Å; M1-Q417 PolarHBondContact SD-NE2 3.09Å; M1-R443 HydrophobicContact CE-CG 4.01Å
2R91.1Very high95.8Very high29 Ų2919 Ų1911%0.10911%0.106CC..  trans-61129.7173.4-169.6-15951.944.41.1110.1T4 N29 A331 V332 E335R2-T4 WeakPolarHBondContact CD-O 3.46Å; R2-T4 WeakPolarHBondContact CG-O 3.4Å; R2-T4 VanDerWaalsContact CZ-O 3.22Å; R2-T4 PolarHBondContact NE-O 3.06Å; R2-T4 PolarHBondContact NH1-O 3.45Å; R2-N29 PolarHBondContact NH2-ND2 3.35Å; R2-N29 PolarHBondContact NH2-OD1 3.48Å; R2-A331 HydrophobicContact CG-CB 4.09Å; R2-V332 HydrophobicContact CB-CG2 3.98Å; R2-V332 HydrophobicContact CG-CG2 4.35Å; R2-E335 VanDerWaalsContact CA-OE2 3.32Å; R2-E335 WeakPolarHBondContact CA-OE2 3.13Å
3K98.1Very high96Very high3 Ų319.8 Ų19.81%0.01312%0.117CC..  trans-99.5-54.7178-55.1-71-169.8-176.10111.9M1 E335 H394 S395 D396 W414 G415M1-K3 PolarHBondContact O-N 2.76Å; K3-E335 WeakPolarHBondContact CA-OE1 3.22Å; K3-E335 WeakPolarHBondContact CB-OE1 3.44Å; K3-E335 VanDerWaalsContact N-CD 3.26Å; K3-E335 PolarHBondContact N-OE1 3.21Å; K3-E335 PolarHBondContact N-OE2 3.49Å; K3-H394 VanDerWaalsContact CE-O 3.31Å; K3-H394 WeakPolarHBondContact CE-O 3.25Å; K3-H394 PolarHBondContact NZ-O 3.34Å; K3-S395 VanDerWaalsContact NZ-C 3.31Å; K3-S395 PolarHBondContact NZ-O 2.98Å; K3-D396 IonicContact NZ-OD1 2.56Å; K3-D396 PolarHBondContact NZ-OD1 3.23Å; K3-W414 HydrophobicContact CB-CD2 3.89Å; K3-W414 HydrophobicContact CB-CE3 4.48Å; K3-W414 HydrophobicContact CB-CG 4.38Å; K3-W414 HydrophobicContact CB-CH2 4.11Å; K3-W414 HydrophobicContact CB-CZ2 3.48Å; K3-W414 VanDerWaalsContact CB-CZ2 3.48Å; K3-W414 HydrophobicContact CD-CH2 4.01Å; K3-W414 HydrophobicContact CD-CZ2 4.22Å; K3-W414 HydrophobicContact CD-CZ3 4.31Å; K3-W414 HydrophobicContact CG-CH2 3.91Å; K3-W414 HydrophobicContact CG-CZ2 3.61Å; K3-G415 PolarHBondContact O-N 3.3Å
4T98.7Very high96.2Very high0 Ų018.4 Ų18.40%011%0.108CC..SBendtrans-66.9125.8178.6-65.10000111.3R2 I301 T305 D306 V308 E335R2-T4 WeakPolarHBondContact CD-O 3.46Å; R2-T4 WeakPolarHBondContact CG-O 3.4Å; R2-T4 VanDerWaalsContact CZ-O 3.22Å; R2-T4 PolarHBondContact NE-O 3.06Å; R2-T4 PolarHBondContact NH1-O 3.45Å; T4-I301 HydrophobicContact CG2-CD1 4.48Å; T4-I301 HydrophobicContact CG2-CG1 4.16Å; T4-T305 HydrophobicContact CG2-CG2 3.93Å; T4-T305 PolarHBondContact OG1-O 3.33Å; T4-D306 CarbonylContact C-O 3.52Å; T4-D306 WeakPolarHBondContact CA-O 3.43Å; T4-V308 HydrophobicContact CG2-CG1 4Å; T4-V308 HydrophobicContact CG2-CG2 4.24Å; T4-E335 WeakPolarHBondContact CB-OE1 3.46Å; T4-E335 PolarHBondContact N-OE1 3.31Å; T4-E335 PolarHBondContact OG1-OE1 2.88Å
5K98.8Very high96.3Very high1 Ų122.4 Ų22.40%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-81.2159.4-171.6-53-59.1-173.166.20112.1N29 D306 A307 V308 C410 S411 I412 V413 V416K5-N29 WeakPolarHBondContact CA-OD1 3.36Å; K5-N29 HydrophobicContact CB-CB 4.23Å; K5-D306 PolarHBondContact N-O 2.83Å; K5-A307 HydrophobicContact CB-CB 3.92Å; K5-A307 CarbonylContact O-C 3.53Å; K5-A307 VanDerWaalsContact O-CA 3.22Å; K5-A307 WeakPolarHBondContact O-CA 3.39Å; K5-V308 WeakPolarHBondContact O-CG2 3.37Å; K5-V308 PolarHBondContact O-N 2.72Å; K5-C410 PolarHBondContact NZ-O 2.97Å; K5-C410 VanDerWaalsContact NZ-O 3.07Å; K5-S411 VanDerWaalsContact CD-O 3.26Å; K5-S411 WeakPolarHBondContact CD-O 3.26Å; K5-S411 WeakPolarHBondContact CG-O 3.43Å; K5-S411 VanDerWaalsContact NZ-C 3.33Å; K5-S411 PolarHBondContact NZ-O 2.92Å; K5-I412 WeakPolarHBondContact CG-O 3.46Å; K5-V413 WeakPolarHBondContact CE-O 3.24Å; K5-V413 PolarHBondContact NZ-O 3.29Å; K5-V416 WeakPolarHBondContact CE-O 3.47Å; K5-V416 PolarHBondContact NZ-O 3.43Å
6I98.9Very high96.4Very high0 Ų024.2 Ų24.20%014%0.14CC..EExtended strand (participates in β ladder)trans-117.3122.6-179-55.7176.1000110.1N29 V30 V308 V324 M327 R328I6-N29 PolarHBondContact N-OD1 2.99Å; I6-N29 PolarHBondContact O-N 3.16Å; I6-V30 PolarHBondContact O-N 3.31Å; I6-V308 WeakPolarHBondContact CA-O 3.31Å; I6-V308 HydrophobicContact CG1-CG2 4.23Å; I6-V324 HydrophobicContact CD1-CG1 4.46Å; I6-V324 HydrophobicContact CG2-CG1 4.43Å; I6-M327 HydrophobicContact CD1-CB 4.25Å; I6-M327 HydrophobicContact CD1-CG 3.97Å; I6-M327 HydrophobicContact CG1-CG 4.03Å; I6-M327 HydrophobicContact CG2-CG 4.14Å; I6-R328 HydrophobicContact CD1-CB 3.84Å
7V98.9Very high96.5Very high0 Ų026.4 Ų26.40%015%0.149CC..EExtended strand (participates in β ladder)trans-102.1129.8172.3-173.10000108.4V30 R32 I274 A307 V308 M309 L310 I412V7-V30 CarbonylContact C-O 3.55Å; V7-V30 WeakPolarHBondContact CA-O 3.13Å; V7-V30 HydrophobicContact CB-CB 4.34Å; V7-V30 HydrophobicContact CG1-CB 4.08Å; V7-V30 HydrophobicContact CG1-CG1 4.22Å; V7-V30 HydrophobicContact CG2-CB 4.02Å; V7-V30 HydrophobicContact CG2-CG2 4.29Å; V7-R32 HydrophobicContact CG1-CB 3.88Å; V7-I274 HydrophobicContact CG2-CG2 4.21Å; V7-A307 HydrophobicContact CG2-CB 4.08Å; V7-V308 PolarHBondContact N-O 2.93Å; V7-M309 HydrophobicContact CB-CB 4.02Å; V7-M309 HydrophobicContact CB-CG 3.9Å; V7-M309 HydrophobicContact CG1-CG 3.92Å; V7-M309 HydrophobicContact CG1-SD 4.27Å; V7-M309 CarbonylContact O-C 3.48Å; V7-M309 VanDerWaalsContact O-CA 3.32Å; V7-M309 WeakPolarHBondContact O-CA 3.14Å; V7-L310 PolarHBondContact O-N 2.83Å; V7-I412 HydrophobicContact CG2-CD1 4.38Å
8C98.9Very high96.7Very high0 Ų032.6 Ų32.60%018%0.176CC..EExtended strand (participates in β ladder)trans-122.9130.7179.2-56.20000110.5L23 M28 V30 A31 R32 T314 V324C8-L23 HydrophobicContact CB-CD2 4.31Å; C8-M28 HydrophobicContact CB-CG 3.98Å; C8-M28 HydrophobicContact CB-SD 3.57Å; C8-M28 VanDerWaalsContact CB-SD 3.57Å; C8-V30 PolarHBondContact N-O 3.1Å; C8-A31 CarbonylContact O-C 3.59Å; C8-A31 WeakPolarHBondContact O-CA 3.42Å; C8-R32 PolarHBondContact O-N 3Å; C8-T314 HydrophobicContact CB-CG2 4.06Å; C8-V324 WeakPolarHBondContact SG-CG2 3.45Å
9T98.8Very high96.8Very high6 Ų632.8 Ų32.84%0.03718%0.176CC..EExtended strand (participates in β ladder)trans-77127.3173.5-53.10000110.2R32 N34 L310 T314 A315T9-R32 WeakPolarHBondContact CA-O 3.15Å; T9-R32 HydrophobicContact CG2-CG 4.34Å; T9-R32 VanDerWaalsContact CG2-NH1 3.3Å; T9-R32 WeakPolarHBondContact OG1-CD 3.41Å; T9-R32 PolarHBondContact OG1-NH1 3.31Å; T9-N34 HydrophobicContact CG2-CB 4.32Å; T9-L310 WeakPolarHBondContact CB-O 3.3Å; T9-L310 PolarHBondContact N-O 3.19Å; T9-L310 PolarHBondContact OG1-O 2.62Å; T9-T314 PolarHBondContact N-OG1 3.15Å; T9-T314 VanDerWaalsContact N-OG1 3.11Å; T9-T314 CarbonylContact O-C 3.59Å; T9-T314 WeakPolarHBondContact O-CB 3.31Å; T9-T314 PolarHBondContact O-OG1 2.8Å; T9-A315 HydrophobicContact CG2-CB 3.88Å; T9-A315 WeakPolarHBondContact O-CA 3.44Å; T9-A315 PolarHBondContact O-N 3.3Å
10I98.8Very high96.9Very high6 Ų631.2 Ų31.23%0.03117%0.168CC..  trans-89.8136.2177.4-52.6-56.3000109.8E15 L23 M28 A31 R32 L33 R46 I50I10-E15 HydrophobicContact CG2-CB 4.33Å; I10-L23 HydrophobicContact CD1-CD2 4.22Å; I10-M28 HydrophobicContact CD1-SD 4.18Å; I10-A31 HydrophobicContact CD1-CB 4.36Å; I10-A31 HydrophobicContact CG1-CB 3.95Å; I10-R32 PolarHBondContact N-O 3.37Å; I10-L33 HydrophobicContact CB-CD2 4.04Å; I10-L33 HydrophobicContact CG1-CD2 4.37Å; I10-R46 HydrophobicContact CG2-CB 4.41Å; I10-R46 HydrophobicContact CG2-CG 4.14Å; I10-I50 HydrophobicContact CG1-CD1 4.23Å
11G98.1Very high97Very high4 Ų432.8 Ų32.84%0.04117%0.174CC..SBendtrans-161-164.4178.200000111.6A13 S14 E15 A315G11-A13 PolarHBondContact O-N 2.86Å; G11-S14 PolarHBondContact N-OG 2.96Å; G11-S14 CarbonylContact O-C 3.58Å; G11-S14 PolarHBondContact O-N 2.84Å; G11-E15 WeakPolarHBondContact O-CB 3.23Å; G11-E15 PolarHBondContact O-N 3.31Å; G11-A315 CarbonylContact C-O 3.58Å; G11-A315 VanDerWaalsContact CA-O 3.27Å; G11-A315 WeakPolarHBondContact CA-O 3.45Å
12P97.9Very high98.2Very high98 Ų9833.2 Ų33.264%0.63617%0.174SC*.THydrogen-bonded Turntrans-51.8-32.2-176.3-29.436.3000115.2S14 A315P12-S14 VanDerWaalsContact C-N 3.32Å; P12-A315 WeakPolarHBondContact CD-O 3.41Å; P12-A315 VanDerWaalsContact N-O 3.08Å
13A98Very high98.6Very high30 Ų3031.9 Ų31.925%0.24817%0.169CC..THydrogen-bonded Turntrans-79.8-12.318000000113.9G11 M19 A315 G317G11-A13 PolarHBondContact O-N 2.86Å; A13-M19 WeakPolarHBondContact O-CG 2.86Å; A13-A315 WeakPolarHBondContact CB-O 3.26Å; A13-A315 PolarHBondContact N-O 3.06Å; A13-G317 VanDerWaalsContact CB-O 3.31Å; A13-G317 WeakPolarHBondContact CB-O 2.98Å
14S98.3Very high98.6Very high0 Ų032.2 Ų32.20%017%0.171CC..THydrogen-bonded Turntrans-140.212.3-170.255.70000115.2G11 P12 I20 T314G11-S14 PolarHBondContact N-OG 2.96Å; G11-S14 CarbonylContact O-C 3.58Å; G11-S14 PolarHBondContact O-N 2.84Å; P12-S14 VanDerWaalsContact C-N 3.32Å; S14-I20 WeakPolarHBondContact O-CG1 3.22Å; S14-T314 WeakPolarHBondContact CB-O 3.14Å; S14-T314 PolarHBondContact OG-O 2.8Å
15E97.9Very high98.6Very high78 Ų7836.5 Ų36.536%0.36419%0.194SC..  trans-83.4-14.7178.465.6-16916600114.1I10 G11 R46I10-E15 HydrophobicContact CG2-CB 4.33Å; G11-E15 WeakPolarHBondContact O-CB 3.23Å; G11-E15 PolarHBondContact O-N 3.31Å; E15-R46 HydrophobicContact CB-CG 4.09Å; E15-R46 IonicContact OE2-CZ 2.92Å; E15-R46 IonicContact OE2-NE 3.59Å; E15-R46 PolarHBondContact OE2-NE 2.89Å; E15-R46 IonicContact OE2-NH2 3.95Å; E15-R46 PolarHBondContact OE2-NH2 3.33Å
16S98.4Very high98.6Very high51 Ų5136.6 Ų36.636%0.35719%0.194SC..SBendtrans-70.4149.1177.565.90000112.6E18 M19 I20S16-E18 VanDerWaalsContact C-N 3.29Å; S16-E18 PolarHBondContact O-N 2.77Å; S16-M19 PolarHBondContact O-N 2.9Å; S16-M19 VanDerWaalsContact O-N 3.16Å; S16-M19 VanDerWaalsContact OG-CB 3.26Å; S16-M19 WeakPolarHBondContact OG-CB 3.31Å; S16-M19 PolarHBondContact OG-N 3.09Å; S16-I20 WeakPolarHBondContact O-CG1 3.32Å; S16-I20 PolarHBondContact O-N 2.66Å
17E98.6Very high98.5Very high61 Ų6137.3 Ų37.329%0.28520%0.202SC..Hα-helixtrans-59.4-40.3-179.7-165.9172.1151.300112E21 T49 K52 V53 R56E17-E21 PolarHBondContact O-N 3.2Å; E17-E21 VanDerWaalsContact O-N 3.15Å; E17-T49 HydrophobicContact CB-CG2 4.1Å; E17-T49 HydrophobicContact CG-CG2 4.34Å; E17-K52 IonicContact OE1-NZ 3.38Å; E17-K52 PolarHBondContact OE1-NZ 3Å; E17-K52 IonicContact OE2-NZ 3.67Å; E17-K52 PolarHBondContact OE2-NZ 2.91Å; E17-V53 HydrophobicContact CG-CG2 3.48Å; E17-V53 VanDerWaalsContact CG-CG2 3.48Å; E17-R56 IonicContact OE1-CZ 2.65Å; E17-R56 IonicContact OE1-NH1 3.57Å; E17-R56 PolarHBondContact OE1-NH1 2.93Å; E17-R56 IonicContact OE1-NH2 3.73Å; E17-R56 PolarHBondContact OE1-NH2 2.67Å
18E98.6Very high98.5Very high138 Ų13837.5 Ų37.565%0.64520%0.203SC*.Hα-helixtrans-65.3-39.5177.9-57.589.5175.800112S16 K22S16-E18 VanDerWaalsContact C-N 3.29Å; S16-E18 PolarHBondContact O-N 2.77Å; E18-K22 WeakPolarHBondContact O-CG 3.31Å; E18-K22 PolarHBondContact O-N 3.15Å; E18-K22 VanDerWaalsContact O-N 3.16Å
19M98.7Very high98.5Very high37 Ų3738.4 Ų38.418%0.18221%0.208CC..Hα-helixtrans-74.6-42.1-177.6-167.553.476.500110.9A13 S16 E21 K22 L23 P320 E321A13-M19 WeakPolarHBondContact O-CG 2.86Å; S16-M19 PolarHBondContact O-N 2.9Å; S16-M19 VanDerWaalsContact O-N 3.16Å; S16-M19 VanDerWaalsContact OG-CB 3.26Å; S16-M19 WeakPolarHBondContact OG-CB 3.31Å; S16-M19 PolarHBondContact OG-N 3.09Å; M19-E21 VanDerWaalsContact C-N 3.27Å; M19-E21 PolarHBondContact O-N 2.76Å; M19-K22 HydrophobicContact CE-CD 4.42Å; M19-K22 WeakPolarHBondContact O-CA 3.4Å; M19-K22 WeakPolarHBondContact O-CB 3.35Å; M19-K22 PolarHBondContact O-N 2.91Å; M19-K22 HydrophobicContact SD-CB 4.25Å; M19-K22 HydrophobicContact SD-CD 4.02Å; M19-L23 HydrophobicContact CG-CD1 3.63Å; M19-L23 WeakPolarHBondContact O-CD1 3.23Å; M19-L23 PolarHBondContact O-N 3.4Å; M19-L23 HydrophobicContact SD-CD1 3.64Å; M19-P320 HydrophobicContact CE-CG 3.86Å; M19-P320 HydrophobicContact CG-CG 4.19Å; M19-P320 HydrophobicContact SD-CB 4.49Å; M19-P320 HydrophobicContact SD-CG 3.74Å; M19-E321 HydrophobicContact SD-CB 4.35Å
20I98.8Very high98.5Very high0 Ų038.1 Ų38.10%021%0.206CC..Hα-helixtrans-56.6-43.1173.7-69-179.8000111S14 S16 K22 L23 I24 T49 I50 V53S14-I20 WeakPolarHBondContact O-CG1 3.22Å; S16-I20 WeakPolarHBondContact O-CG1 3.32Å; S16-I20 PolarHBondContact O-N 2.66Å; I20-K22 VanDerWaalsContact C-N 3.34Å; I20-K22 PolarHBondContact O-N 2.68Å; I20-L23 PolarHBondContact O-N 3.37Å; I20-I24 HydrophobicContact CG2-CD1 3.95Å; I20-I24 HydrophobicContact CG2-CG1 4.43Å; I20-I24 WeakPolarHBondContact O-CG1 3.38Å; I20-I24 PolarHBondContact O-N 3.06Å; I20-T49 HydrophobicContact CD1-CG2 3.68Å; I20-I50 HydrophobicContact CD1-CG1 3.9Å; I20-V53 HydrophobicContact CB-CG2 4.43Å; I20-V53 HydrophobicContact CG2-CB 3.91Å; I20-V53 HydrophobicContact CG2-CG1 4.05Å; I20-V53 HydrophobicContact CG2-CG2 4.1Å
21E98.8Very high98.5Very high65 Ų6537.9 Ų37.930%0.30421%0.205SC..Hα-helixtrans-59-44.5175.5171.1161176.100112.1E17 M19 I24 N25 V53 R56 L57E17-E21 PolarHBondContact O-N 3.2Å; E17-E21 VanDerWaalsContact O-N 3.15Å; M19-E21 VanDerWaalsContact C-N 3.27Å; M19-E21 PolarHBondContact O-N 2.76Å; E21-I24 PolarHBondContact O-N 2.98Å; E21-N25 WeakPolarHBondContact O-CB 3.42Å; E21-N25 PolarHBondContact O-N 3.3Å; E21-N25 PolarHBondContact O-ND2 3.44Å; E21-N25 VanDerWaalsContact O-ND2 3.17Å; E21-V53 HydrophobicContact CB-CG1 3.78Å; E21-R56 IonicContact OE2-CZ 3.82Å; E21-R56 IonicContact OE2-NE 3.75Å; E21-R56 IonicContact OE2-NH2 2.99Å; E21-R56 PolarHBondContact OE2-NH2 3.28Å; E21-L57 HydrophobicContact CB-CD1 4.38Å; E21-L57 HydrophobicContact CG-CD1 4.01Å; E21-L57 HydrophobicContact CG-CD2 4.25Å
22K98.8Very high98.6Very high91 Ų9138.6 Ų38.640%0.39621%0.206SC..Hα-helixtrans-61.9-42.2175.1-73.3166.1155.5-134.60112.5E18 M19 I20 N25 A26 E321E18-K22 WeakPolarHBondContact O-CG 3.31Å; E18-K22 PolarHBondContact O-N 3.15Å; E18-K22 VanDerWaalsContact O-N 3.16Å; M19-K22 HydrophobicContact CE-CD 4.42Å; M19-K22 WeakPolarHBondContact O-CA 3.4Å; M19-K22 WeakPolarHBondContact O-CB 3.35Å; M19-K22 PolarHBondContact O-N 2.91Å; M19-K22 HydrophobicContact SD-CB 4.25Å; M19-K22 HydrophobicContact SD-CD 4.02Å; I20-K22 VanDerWaalsContact C-N 3.34Å; I20-K22 PolarHBondContact O-N 2.68Å; K22-N25 PolarHBondContact O-N 2.8Å; K22-A26 WeakPolarHBondContact O-CB 3.46Å; K22-A26 PolarHBondContact O-N 2.84Å; K22-E321 HydrophobicContact CB-CG 4.1Å; K22-E321 VanDerWaalsContact CD-OE2 3.26Å; K22-E321 WeakPolarHBondContact CD-OE2 3.36Å; K22-E321 WeakPolarHBondContact CE-OE2 3.28Å; K22-E321 IonicContact NZ-OE2 2.85Å; K22-E321 PolarHBondContact NZ-OE2 2.92Å
23L98.9Very high98.6Very high0 Ų034 Ų340%018%0.176CC..Hα-helixtrans-64.5-43.3178.4-88.966.2000111.6C8 I10 M19 I20 A26 G27 M28 P320 V324C8-L23 HydrophobicContact CB-CD2 4.31Å; I10-L23 HydrophobicContact CD1-CD2 4.22Å; M19-L23 HydrophobicContact CG-CD1 3.63Å; M19-L23 WeakPolarHBondContact O-CD1 3.23Å; M19-L23 PolarHBondContact O-N 3.4Å; M19-L23 HydrophobicContact SD-CD1 3.64Å; I20-L23 PolarHBondContact O-N 3.37Å; L23-A26 PolarHBondContact O-N 2.85Å; L23-G27 PolarHBondContact O-N 2.78Å; L23-M28 HydrophobicContact CB-CB 4.32Å; L23-M28 HydrophobicContact CB-CE 4.19Å; L23-M28 HydrophobicContact CB-SD 4.07Å; L23-M28 HydrophobicContact CD2-SD 4.1Å; L23-M28 VanDerWaalsContact O-CB 3.29Å; L23-M28 WeakPolarHBondContact O-CB 3.32Å; L23-M28 PolarHBondContact O-N 2.94Å; L23-P320 HydrophobicContact CD1-CB 4.39Å; L23-V324 HydrophobicContact CG-CG2 4.09Å
24I98.8Very high98.6Very high11 Ų1134.2 Ų34.26%0.05617%0.173CC..Hα-helixtrans-62.1-47.8176.6-66.5176.2000110.4I20 E21 A26 G27 M28 V53 A54 L57 K59 V61I20-I24 HydrophobicContact CG2-CD1 3.95Å; I20-I24 HydrophobicContact CG2-CG1 4.43Å; I20-I24 WeakPolarHBondContact O-CG1 3.38Å; I20-I24 PolarHBondContact O-N 3.06Å; E21-I24 PolarHBondContact O-N 2.98Å; I24-A26 VanDerWaalsContact C-N 3.29Å; I24-A26 PolarHBondContact O-N 2.9Å; I24-G27 PolarHBondContact O-N 2.56Å; I24-G27 VanDerWaalsContact O-N 3.11Å; I24-M28 HydrophobicContact CD1-CE 4.42Å; I24-M28 HydrophobicContact CG1-CE 3.66Å; I24-V53 HydrophobicContact CD1-CB 4.42Å; I24-V53 HydrophobicContact CD1-CG1 3.94Å; I24-A54 HydrophobicContact CD1-CB 4.33Å; I24-L57 HydrophobicContact CB-CD1 4Å; I24-L57 HydrophobicContact CD1-CD1 4.29Å; I24-L57 HydrophobicContact CG2-CD1 3.82Å; I24-K59 HydrophobicContact CG2-CB 3.83Å; I24-K59 HydrophobicContact CG2-CG 3.8Å; I24-V61 HydrophobicContact CD1-CG2 3.94Å; I24-V61 HydrophobicContact CG1-CG2 3.93Å; I24-V61 HydrophobicContact CG2-CG2 4.27Å
25N98.6Very high98.6Very high90 Ų9034.2 Ų34.248%0.48117%0.173SC..Hα-helixtrans-65.4-32.2177.5-73.2-33.9000112.8E21 K22 G27E21-N25 WeakPolarHBondContact O-CB 3.42Å; E21-N25 PolarHBondContact O-N 3.3Å; E21-N25 PolarHBondContact O-ND2 3.44Å; E21-N25 VanDerWaalsContact O-ND2 3.17Å; K22-N25 PolarHBondContact O-N 2.8Å; N25-G27 VanDerWaalsContact C-N 3.28Å; N25-G27 PolarHBondContact O-N 2.81Å
26A98.6Very high98.4Very high2 Ų232.4 Ų32.42%0.01717%0.169CC..Hα-helixtrans-69.1-27.1174.300000112.4K22 L23 I24 V324 K325 R328K22-A26 WeakPolarHBondContact O-CB 3.46Å; K22-A26 PolarHBondContact O-N 2.84Å; L23-A26 PolarHBondContact O-N 2.85Å; I24-A26 VanDerWaalsContact C-N 3.29Å; I24-A26 PolarHBondContact O-N 2.9Å; A26-V324 HydrophobicContact CB-CB 3.81Å; A26-V324 HydrophobicContact CB-CG1 3.52Å; A26-K325 HydrophobicContact CB-CG 3.9Å; A26-R328 WeakPolarHBondContact O-CD 3.3Å; A26-R328 PolarHBondContact O-NH1 2.98Å
27G98.2Very high98Very high16 Ų1636.6 Ų36.617%0.16518%0.183CC..THydrogen-bonded Turntrans13314.4170.300000115.9L23 I24 N25 N29L23-G27 PolarHBondContact O-N 2.78Å; I24-G27 PolarHBondContact O-N 2.56Å; I24-G27 VanDerWaalsContact O-N 3.11Å; N25-G27 VanDerWaalsContact C-N 3.28Å; N25-G27 PolarHBondContact O-N 2.81Å; G27-N29 PolarHBondContact O-N 2.84Å; G27-N29 PolarHBondContact O-OD1 2.96Å
28M98.8Very high97.7Very high4 Ų435.2 Ų35.22%0.0219%0.185CC..  trans-58.3130.6176.5-178.2174.675.400111.4C8 I10 L23 I24 A31 V61C8-M28 HydrophobicContact CB-CG 3.98Å; C8-M28 HydrophobicContact CB-SD 3.57Å; C8-M28 VanDerWaalsContact CB-SD 3.57Å; I10-M28 HydrophobicContact CD1-SD 4.18Å; L23-M28 HydrophobicContact CB-CB 4.32Å; L23-M28 HydrophobicContact CB-CE 4.19Å; L23-M28 HydrophobicContact CB-SD 4.07Å; L23-M28 HydrophobicContact CD2-SD 4.1Å; L23-M28 VanDerWaalsContact O-CB 3.29Å; L23-M28 WeakPolarHBondContact O-CB 3.32Å; L23-M28 PolarHBondContact O-N 2.94Å; I24-M28 HydrophobicContact CD1-CE 4.42Å; I24-M28 HydrophobicContact CG1-CE 3.66Å; M28-A31 HydrophobicContact CE-CB 4.39Å; M28-A31 HydrophobicContact SD-CB 4.39Å; M28-V61 HydrophobicContact CE-CG1 4.12Å
29N98.9Very high97.6Very high19 Ų1930.9 Ų30.910%0.10217%0.17CC..  trans-109.1-31.9178.3-62.2116.5000112.7R2 K5 I6 G27 V61 A62 S411R2-N29 PolarHBondContact NH2-ND2 3.35Å; R2-N29 PolarHBondContact NH2-OD1 3.48Å; K5-N29 WeakPolarHBondContact CA-OD1 3.36Å; K5-N29 HydrophobicContact CB-CB 4.23Å; I6-N29 PolarHBondContact N-OD1 2.99Å; I6-N29 PolarHBondContact O-N 3.16Å; G27-N29 PolarHBondContact O-N 2.84Å; G27-N29 PolarHBondContact O-OD1 2.96Å; N29-V61 WeakPolarHBondContact O-CA 3.47Å; N29-A62 PolarHBondContact O-N 3.33Å; N29-S411 PolarHBondContact O-OG 2.88Å
30V98.9Very high97.6Very high0 Ų032.1 Ų32.10%018%0.175CC..EExtended strand (participates in β ladder)trans-136131.5-179.4-172.60000108.8I6 V7 C8 A62 L64 F188 I412I6-V30 PolarHBondContact O-N 3.31Å; V7-V30 CarbonylContact C-O 3.55Å; V7-V30 WeakPolarHBondContact CA-O 3.13Å; V7-V30 HydrophobicContact CB-CB 4.34Å; V7-V30 HydrophobicContact CG1-CB 4.08Å; V7-V30 HydrophobicContact CG1-CG1 4.22Å; V7-V30 HydrophobicContact CG2-CB 4.02Å; V7-V30 HydrophobicContact CG2-CG2 4.29Å; C8-V30 PolarHBondContact N-O 3.1Å; V30-A62 CarbonylContact C-O 3.55Å; V30-A62 WeakPolarHBondContact CA-O 3.37Å; V30-A62 HydrophobicContact CG1-CB 4.22Å; V30-A62 HydrophobicContact CG2-CB 4.23Å; V30-L64 HydrophobicContact CG1-CB 3.63Å; V30-L64 HydrophobicContact CG1-CD1 4.49Å; V30-F188 HydrophobicContact CG1-CD2 4.17Å; V30-F188 HydrophobicContact CG1-CE2 4.44Å; V30-F188 HydrophobicContact CG2-CE2 4.39Å; V30-I412 HydrophobicContact CG2-CB 4.06Å; V30-I412 HydrophobicContact CG2-CD1 4.15Å; V30-I412 HydrophobicContact CG2-CG1 4.02Å
31A98.9Very high97.6Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-94.8116.2172.200000109.2C8 I10 M28 I50 A62 I63 L64C8-A31 CarbonylContact O-C 3.59Å; C8-A31 WeakPolarHBondContact O-CA 3.42Å; I10-A31 HydrophobicContact CD1-CB 4.36Å; I10-A31 HydrophobicContact CG1-CB 3.95Å; M28-A31 HydrophobicContact CE-CB 4.39Å; M28-A31 HydrophobicContact SD-CB 4.39Å; A31-I50 HydrophobicContact CB-CD1 3.61Å; A31-I50 HydrophobicContact CB-CG1 4.22Å; A31-I50 HydrophobicContact CB-CG2 4.33Å; A31-A62 PolarHBondContact N-O 2.82Å; A31-I63 WeakPolarHBondContact O-CA 3.47Å; A31-L64 PolarHBondContact O-N 3.44Å
32R98.9Very high97.5Very high19 Ų1941.2 Ų41.27%0.07222%0.217CC..EExtended strand (participates in β ladder)trans-87.2131.3174.9168.4174176.6-92.4-0.5110V7 C8 T9 I10 L64 D66 M309V7-R32 HydrophobicContact CG1-CB 3.88Å; C8-R32 PolarHBondContact O-N 3Å; T9-R32 WeakPolarHBondContact CA-O 3.15Å; T9-R32 HydrophobicContact CG2-CG 4.34Å; T9-R32 VanDerWaalsContact CG2-NH1 3.3Å; T9-R32 WeakPolarHBondContact OG1-CD 3.41Å; T9-R32 PolarHBondContact OG1-NH1 3.31Å; I10-R32 PolarHBondContact N-O 3.37Å; R32-L64 CarbonylContact C-O 3.54Å; R32-L64 WeakPolarHBondContact CA-O 3.32Å; R32-L64 HydrophobicContact CB-CD2 4.08Å; R32-L64 HydrophobicContact CG-CD2 3.85Å; R32-D66 HydrophobicContact CG-CB 4.29Å; R32-D66 IonicContact CZ-OD2 3.93Å; R32-D66 IonicContact NE-OD2 2.8Å; R32-D66 PolarHBondContact NE-OD2 3.16Å; R32-D66 IonicContact NH2-OD2 2.64Å; R32-D66 PolarHBondContact NH2-OD2 3.33Å; R32-M309 WeakPolarHBondContact CD-SD 3.26Å
33L98.8Very high97.5Very high1 Ų137 Ų371%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-112.5114.5171.9-57179.2000107.6I10 F35 R46 I47 I50 I63 L64 D66I10-L33 HydrophobicContact CB-CD2 4.04Å; I10-L33 HydrophobicContact CG1-CD2 4.37Å; L33-F35 HydrophobicContact CB-CD2 4.23Å; L33-F35 HydrophobicContact CB-CE2 3.78Å; L33-R46 HydrophobicContact CD2-CB 4.13Å; L33-I47 HydrophobicContact CD1-CD1 3.86Å; L33-I47 HydrophobicContact CD1-CG1 3.45Å; L33-I47 VanDerWaalsContact CD1-CG1 3.45Å; L33-I50 HydrophobicContact CD2-CD1 4.35Å; L33-I63 HydrophobicContact CD1-CG2 3.77Å; L33-I63 HydrophobicContact CG-CG2 4.26Å; L33-L64 PolarHBondContact N-O 3.14Å; L33-D66 PolarHBondContact O-N 2.94Å
34N98Very high97.5Very high35 Ų3539.8 Ų39.819%0.18721%0.212CC..EExtended strand (participates in β ladder)trans-89.4111-178.1-176.13.3000110.5T9 S36 H43T9-N34 HydrophobicContact CG2-CB 4.32Å; N34-S36 VanDerWaalsContact C-N 3.32Å; N34-S36 WeakPolarHBondContact OD1-CB 3.46Å; N34-S36 PolarHBondContact OD1-N 2.84Å; N34-S36 VanDerWaalsContact OD1-N 3.12Å; N34-S36 PolarHBondContact OD1-OG 2.97Å; N34-S36 VanDerWaalsContact OD1-OG 3.05Å; N34-H43 PolarHBondContact O-CE1 3.34Å; N34-H43 PolarHBondContact O-NE2 3.05Å
35F97.8Very high97.5Very high1 Ų141 Ų410%0.00423%0.226CC..THydrogen-bonded Turntrans-872.6-177-81.7-119.8000113.8L33 H37 H40 H43 L65 D66 K173 D177 F180L33-F35 HydrophobicContact CB-CD2 4.23Å; L33-F35 HydrophobicContact CB-CE2 3.78Å; F35-H37 PolarHBondContact O-N 3.46Å; F35-H40 AromaticContact CE1-CD2 3.89Å; F35-H43 AromaticContact CD1-CD2 3.94Å; F35-H43 AromaticContact CD2-CD2 3.86Å; F35-H43 AromaticContact CD2-NE2 3.81Å; F35-H43 HydrophobicContact CE1-CB 4.47Å; F35-H43 AromaticContact CE1-CD2 3.76Å; F35-H43 HydrophobicContact CE2-CB 4.07Å; F35-H43 AromaticContact CE2-CD2 3.63Å; F35-H43 AromaticContact CE2-CG 3.66Å; F35-H43 AromaticContact CE2-NE2 3.99Å; F35-H43 AromaticContact CG-NE2 3.99Å; F35-H43 HydrophobicContact CZ-CB 3.74Å; F35-H43 AromaticContact CZ-CD2 3.58Å; F35-H43 AromaticContact CZ-CG 3.7Å; F35-L65 HydrophobicContact CD1-CD1 4.42Å; F35-L65 HydrophobicContact CD2-CD1 4.16Å; F35-L65 HydrophobicContact CD2-CD2 4.3Å; F35-L65 HydrophobicContact CD2-CG 3.68Å; F35-L65 HydrophobicContact CE1-CD1 3.95Å; F35-L65 HydrophobicContact CE1-CG 4.5Å; F35-L65 HydrophobicContact CE2-CB 4.46Å; F35-L65 HydrophobicContact CE2-CD1 3.69Å; F35-L65 HydrophobicContact CE2-CG 3.59Å; F35-L65 HydrophobicContact CG-CD2 4.43Å; F35-L65 HydrophobicContact CG-CG 4.21Å; F35-L65 HydrophobicContact CZ-CD1 3.56Å; F35-L65 HydrophobicContact CZ-CG 4.01Å; F35-D66 WeakPolarHBondContact CB-O 3.36Å; F35-D66 PolarHBondContact N-O 2.91Å; F35-K173 WeakPolarHBondContact O-CE 3.34Å; F35-D177 HydrophobicContact CD1-CB 3.63Å; F35-D177 VanDerWaalsContact CD1-CG 3.4Å; F35-D177 HydrophobicContact CE1-CB 4.13Å; F35-D177 HydrophobicContact CG-CB 4.38Å; F35-F180 AromaticContact CE1-CD1 3.78Å; F35-F180 HydrophobicContact CE1-CD1 3.78Å; F35-F180 HydrophobicContact CE1-CE1 4.16Å; F35-F180 AromaticContact CZ-CD1 3.66Å; F35-F180 HydrophobicContact CZ-CD1 3.66Å; F35-F180 AromaticContact CZ-CE1 3.68Å; F35-F180 HydrophobicContact CZ-CE1 3.68Å
36S93Very high97.5Very high40 Ų4037.6 Ų37.628%0.2821%0.207SC..THydrogen-bonded Turntrans-60.4-22162.3-52.10000112.3N34N34-S36 VanDerWaalsContact C-N 3.32Å; N34-S36 WeakPolarHBondContact OD1-CB 3.46Å; N34-S36 PolarHBondContact OD1-N 2.84Å; N34-S36 VanDerWaalsContact OD1-N 3.12Å; N34-S36 PolarHBondContact OD1-OG 2.97Å; N34-S36 VanDerWaalsContact OD1-OG 3.05Å
37H90.4Very high97.5Very high139 Ų13937.5 Ų37.564%0.64421%0.206SC*.SBendtrans-136.5162.2178.1-53.4-57.6000111.5F35 H43F35-H37 PolarHBondContact O-N 3.46Å; H37-H43 PolarHBondContact O-NE2 3.03Å
38G92.7Very high97.5Very high32 Ų3240.2 Ų40.233%0.3322%0.217SC..SBendtrans77.7153.3177.800000113.8E42G38-E42 WeakPolarHBondContact CA-OE1 3.3Å
39S97.1Very high97.5Very high46 Ų4641.6 Ų41.632%0.32223%0.225SC..  trans-84164.2174.460.20000112.2E41 E42 H43S39-E41 PolarHBondContact O-N 2.93Å; S39-E42 PolarHBondContact N-OE1 2.76Å; S39-E42 PolarHBondContact O-N 2.63Å; S39-E42 WeakPolarHBondContact OG-CG 3.26Å; S39-E42 PolarHBondContact OG-N 3.04Å; S39-E42 PolarHBondContact OG-OE1 3.13Å; S39-H43 PolarHBondContact O-CD2 3.36Å; S39-H43 VanDerWaalsContact O-CD2 3.23Å; S39-H43 PolarHBondContact O-N 3.23Å; S39-H43 VanDerWaalsContact O-N 3.11Å
40H98.4Very high97.5Very high63 Ų6340.7 Ų40.729%0.29222%0.221SC..Hα-helixtrans-57.4-33170.8-72.6-172.3000112.1F35 H43 K44 D177 F180F35-H40 AromaticContact CE1-CD2 3.89Å; H40-H43 PolarHBondContact O-N 2.91Å; H40-K44 VanDerWaalsContact O-CB 3.25Å; H40-K44 WeakPolarHBondContact O-CB 3.16Å; H40-K44 PolarHBondContact O-N 3.34Å; H40-D177 IonicContact CD2-OD1 2.61Å; H40-D177 IonicContact CE1-OD1 2.69Å; H40-D177 IonicContact NE2-OD1 2.8Å; H40-D177 PolarHBondContact NE2-OD1 3.18Å; H40-F180 HydrophobicContact CB-CD2 3.82Å; H40-F180 HydrophobicContact CB-CE2 3.86Å; H40-F180 HydrophobicContact CB-CG 4.42Å; H40-F180 AromaticContact CG-CD2 3.77Å; H40-F180 AromaticContact CG-CG 3.97Å; H40-F180 AromaticContact ND1-CD2 3.69Å; H40-F180 AromaticContact ND1-CG 3.87Å; H40-F180 WeakPolarHBondContact O-CZ 3.5Å
41E98.1Very high97.5Very high166 Ų16644.5 Ų44.578%0.77624%0.235SC*.Hα-helixtrans-64.5-46.1178.5-65.2172.2173.600111.7S39 K44 G45S39-E41 PolarHBondContact O-N 2.93Å; E41-K44 PolarHBondContact O-N 3.11Å; E41-G45 PolarHBondContact O-N 2.78Å; E41-G45 VanDerWaalsContact O-N 3.1Å
42E97.8Very high97.5Very high90 Ų9050.1 Ų50.142%0.42126%0.259SS..Hα-helixtrans-62.6-47.5175.2-71.7168.6-100.300111.7G38 S39 K44 G45 R46G38-E42 WeakPolarHBondContact CA-OE1 3.3Å; S39-E42 PolarHBondContact N-OE1 2.76Å; S39-E42 PolarHBondContact O-N 2.63Å; S39-E42 WeakPolarHBondContact OG-CG 3.26Å; S39-E42 PolarHBondContact OG-N 3.04Å; S39-E42 PolarHBondContact OG-OE1 3.13Å; E42-K44 VanDerWaalsContact C-N 3.31Å; E42-K44 PolarHBondContact O-N 3.01Å; E42-G45 PolarHBondContact O-N 3.18Å; E42-R46 WeakPolarHBondContact O-CG 3.42Å; E42-R46 PolarHBondContact O-N 2.89Å; E42-R46 IonicContact OE2-NH2 2.79Å
43H98.6Very high97.5Very high2 Ų249.2 Ų49.21%0.00926%0.256CS..Hα-helixtrans-64.2-37179.6-71.2-52000111.7N34 F35 H37 S39 H40 G45 R46 I47 F180N34-H43 PolarHBondContact O-CE1 3.34Å; N34-H43 PolarHBondContact O-NE2 3.05Å; F35-H43 AromaticContact CD1-CD2 3.94Å; F35-H43 AromaticContact CD2-CD2 3.86Å; F35-H43 AromaticContact CD2-NE2 3.81Å; F35-H43 HydrophobicContact CE1-CB 4.47Å; F35-H43 AromaticContact CE1-CD2 3.76Å; F35-H43 HydrophobicContact CE2-CB 4.07Å; F35-H43 AromaticContact CE2-CD2 3.63Å; F35-H43 AromaticContact CE2-CG 3.66Å; F35-H43 AromaticContact CE2-NE2 3.99Å; F35-H43 AromaticContact CG-NE2 3.99Å; F35-H43 HydrophobicContact CZ-CB 3.74Å; F35-H43 AromaticContact CZ-CD2 3.58Å; F35-H43 AromaticContact CZ-CG 3.7Å; H37-H43 PolarHBondContact O-NE2 3.03Å; S39-H43 PolarHBondContact O-CD2 3.36Å; S39-H43 VanDerWaalsContact O-CD2 3.23Å; S39-H43 PolarHBondContact O-N 3.23Å; S39-H43 VanDerWaalsContact O-N 3.11Å; H40-H43 PolarHBondContact O-N 2.91Å; H43-G45 PolarHBondContact O-N 2.82Å; H43-R46 PolarHBondContact O-N 3.01Å; H43-I47 VanDerWaalsContact O-CG1 3.26Å; H43-I47 WeakPolarHBondContact O-CG1 3.35Å; H43-I47 PolarHBondContact O-N 3.09Å; H43-F180 HydrophobicContact CB-CE1 4.28Å; H43-F180 HydrophobicContact CB-CZ 4.42Å
44K98.7Very high97.5Very high60 Ų6049.6 Ų49.626%0.26126%0.259SS..Hα-helixtrans-59.5-45.7173-178.964.3173.679.20112H40 E41 E42 R46 I47 D48 F180 E184H40-K44 VanDerWaalsContact O-CB 3.25Å; H40-K44 WeakPolarHBondContact O-CB 3.16Å; H40-K44 PolarHBondContact O-N 3.34Å; E41-K44 PolarHBondContact O-N 3.11Å; E42-K44 VanDerWaalsContact C-N 3.31Å; E42-K44 PolarHBondContact O-N 3.01Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 2.91Å; K44-I47 PolarHBondContact O-N 2.88Å; K44-D48 IonicContact NZ-OD1 3.53Å; K44-D48 PolarHBondContact NZ-OD1 2.91Å; K44-D48 IonicContact NZ-OD2 3.74Å; K44-D48 PolarHBondContact NZ-OD2 2.8Å; K44-D48 PolarHBondContact O-N 3.17Å; K44-F180 HydrophobicContact CB-CE2 4.2Å; K44-F180 HydrophobicContact CB-CZ 3.99Å; K44-F180 HydrophobicContact CD-CZ 4.5Å; K44-E184 HydrophobicContact CD-CG 4.03Å; K44-E184 WeakPolarHBondContact CD-OE1 3.32Å; K44-E184 VanDerWaalsContact CD-OE2 3.25Å; K44-E184 WeakPolarHBondContact CD-OE2 3.38Å; K44-E184 WeakPolarHBondContact CE-OE1 3.24Å; K44-E184 WeakPolarHBondContact CE-OE2 3.2Å; K44-E184 IonicContact NZ-OE2 3.99Å
45G98.4Very high97.5Very high35 Ų3555.3 Ų55.336%0.36128%0.283SS..Hα-helixtrans-60.6-40.2176.700000112.7E41 E42 H43 D48 T49E41-G45 PolarHBondContact O-N 2.78Å; E41-G45 VanDerWaalsContact O-N 3.1Å; E42-G45 PolarHBondContact O-N 3.18Å; H43-G45 PolarHBondContact O-N 2.82Å; G45-D48 PolarHBondContact O-N 2.87Å; G45-T49 PolarHBondContact O-N 2.91Å; G45-T49 VanDerWaalsContact O-N 3.13Å; G45-T49 PolarHBondContact O-OG1 3.19Å
46R98.6Very high97.5Very high19 Ų1960.6 Ų60.67%0.07230%0.302CS..Hα-helixtrans-65.4-45.6175-68.7169.8-177.3146.38.3111.7I10 E15 L33 E42 H43 K44 D48 T49 I50I10-R46 HydrophobicContact CG2-CB 4.41Å; I10-R46 HydrophobicContact CG2-CG 4.14Å; E15-R46 HydrophobicContact CB-CG 4.09Å; E15-R46 IonicContact OE2-CZ 2.92Å; E15-R46 IonicContact OE2-NE 3.59Å; E15-R46 PolarHBondContact OE2-NE 2.89Å; E15-R46 IonicContact OE2-NH2 3.95Å; E15-R46 PolarHBondContact OE2-NH2 3.33Å; L33-R46 HydrophobicContact CD2-CB 4.13Å; E42-R46 WeakPolarHBondContact O-CG 3.42Å; E42-R46 PolarHBondContact O-N 2.89Å; E42-R46 IonicContact OE2-NH2 2.79Å; H43-R46 PolarHBondContact O-N 3.01Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 2.91Å; R46-D48 VanDerWaalsContact C-N 3.32Å; R46-D48 PolarHBondContact O-N 2.92Å; R46-T49 PolarHBondContact O-N 3.37Å; R46-I50 WeakPolarHBondContact O-CD1 3.43Å; R46-I50 VanDerWaalsContact O-CG1 3.22Å; R46-I50 WeakPolarHBondContact O-CG1 3.26Å; R46-I50 PolarHBondContact O-N 3.01Å
47I98.8Very high97.7Very high0 Ų060.5 Ų60.50%030%0.299CS..Hα-helixtrans-55.1-48175.9-71.7169.6000110.9L33 H43 K44 T49 I50 R51 I63 F180 E184 V186L33-I47 HydrophobicContact CD1-CD1 3.86Å; L33-I47 HydrophobicContact CD1-CG1 3.45Å; L33-I47 VanDerWaalsContact CD1-CG1 3.45Å; H43-I47 VanDerWaalsContact O-CG1 3.26Å; H43-I47 WeakPolarHBondContact O-CG1 3.35Å; H43-I47 PolarHBondContact O-N 3.09Å; K44-I47 PolarHBondContact O-N 2.88Å; I47-T49 VanDerWaalsContact C-N 3.34Å; I47-T49 PolarHBondContact O-N 2.87Å; I47-I50 PolarHBondContact O-N 2.77Å; I47-R51 HydrophobicContact CG2-CG 4.48Å; I47-R51 WeakPolarHBondContact O-CG 3.32Å; I47-R51 PolarHBondContact O-N 2.88Å; I47-I63 HydrophobicContact CB-CD1 4.26Å; I47-I63 HydrophobicContact CG1-CD1 4.12Å; I47-I63 HydrophobicContact CG1-CG2 4.37Å; I47-I63 HydrophobicContact CG2-CD1 3.84Å; I47-F180 HydrophobicContact CD1-CE1 3.81Å; I47-F180 HydrophobicContact CD1-CZ 4.08Å; I47-E184 HydrophobicContact CD1-CB 3.94Å; I47-E184 HydrophobicContact CD1-CG 4.01Å; I47-V186 HydrophobicContact CD1-CG1 4.27Å
48D98.7Very high98.1Very high74 Ų7461 Ų6140%0.39631%0.306SS..Hα-helixtrans-62.6-42.8-179.2-71.6-20.6000111.9K44 G45 R46 R51 K52K44-D48 IonicContact NZ-OD1 3.53Å; K44-D48 PolarHBondContact NZ-OD1 2.91Å; K44-D48 IonicContact NZ-OD2 3.74Å; K44-D48 PolarHBondContact NZ-OD2 2.8Å; K44-D48 PolarHBondContact O-N 3.17Å; G45-D48 PolarHBondContact O-N 2.87Å; R46-D48 VanDerWaalsContact C-N 3.32Å; R46-D48 PolarHBondContact O-N 2.92Å; D48-R51 PolarHBondContact O-N 2.83Å; D48-K52 VanDerWaalsContact O-CB 3.26Å; D48-K52 WeakPolarHBondContact O-CB 3.46Å; D48-K52 PolarHBondContact O-N 3.29Å
49T98.7Very high98.3Very high32 Ų3265.1 Ų65.120%0.19632%0.315CS..Hα-helixtrans-64.5-45.3178-49.90000111E17 I20 G45 R46 I47 R51 K52 V53E17-T49 HydrophobicContact CB-CG2 4.1Å; E17-T49 HydrophobicContact CG-CG2 4.34Å; I20-T49 HydrophobicContact CD1-CG2 3.68Å; G45-T49 PolarHBondContact O-N 2.91Å; G45-T49 VanDerWaalsContact O-N 3.13Å; G45-T49 PolarHBondContact O-OG1 3.19Å; R46-T49 PolarHBondContact O-N 3.37Å; I47-T49 VanDerWaalsContact C-N 3.34Å; I47-T49 PolarHBondContact O-N 2.87Å; T49-R51 PolarHBondContact O-N 3.27Å; T49-K52 PolarHBondContact O-N 3.04Å; T49-V53 HydrophobicContact CG2-CG2 4.37Å; T49-V53 VanDerWaalsContact O-CG2 3.29Å; T49-V53 WeakPolarHBondContact O-CG2 3.22Å; T49-V53 PolarHBondContact O-N 2.77Å
50I98.8Very high98.4Very high1 Ų165 Ų651%0.00531%0.31CS..Hα-helixtrans-57.1-51.8176-65.6156.9000110.5I10 I20 A31 L33 R46 I47 K52 V53 A54 V61 I63I10-I50 HydrophobicContact CG1-CD1 4.23Å; I20-I50 HydrophobicContact CD1-CG1 3.9Å; A31-I50 HydrophobicContact CB-CD1 3.61Å; A31-I50 HydrophobicContact CB-CG1 4.22Å; A31-I50 HydrophobicContact CB-CG2 4.33Å; L33-I50 HydrophobicContact CD2-CD1 4.35Å; R46-I50 WeakPolarHBondContact O-CD1 3.43Å; R46-I50 VanDerWaalsContact O-CG1 3.22Å; R46-I50 WeakPolarHBondContact O-CG1 3.26Å; R46-I50 PolarHBondContact O-N 3.01Å; I47-I50 PolarHBondContact O-N 2.77Å; I50-K52 PolarHBondContact O-N 2.91Å; I50-V53 PolarHBondContact O-N 2.79Å; I50-A54 WeakPolarHBondContact O-CB 3.35Å; I50-A54 PolarHBondContact O-N 2.64Å; I50-V61 HydrophobicContact CG2-CG1 4.28Å; I50-I63 HydrophobicContact CB-CD1 4.48Å; I50-I63 HydrophobicContact CG2-CD1 4.26Å; I50-I63 HydrophobicContact CG2-CG1 4.2Å
51R98.6Very high98.4Very high79 Ų7962.5 Ų62.530%0.29830%0.299SS..Hα-helixtrans-62.4-42.5-178.4-70.5-176-177.2-72.53.1111.7I47 D48 T49 K55 I63 E184 N185I47-R51 HydrophobicContact CG2-CG 4.48Å; I47-R51 WeakPolarHBondContact O-CG 3.32Å; I47-R51 PolarHBondContact O-N 2.88Å; D48-R51 PolarHBondContact O-N 2.83Å; T49-R51 PolarHBondContact O-N 3.27Å; R51-K55 WeakPolarHBondContact O-CB 3.42Å; R51-K55 PolarHBondContact O-N 3.45Å; R51-I63 HydrophobicContact CG-CD1 4.23Å; R51-E184 PolarHBondContact NH2-O 2.79Å; R51-N185 PolarHBondContact NH2-O 2.84Å
52K98.6Very high98.4Very high118 Ų11854.6 Ų54.651%0.51326%0.262SS..Hα-helixtrans-60.5-50.6177.7-179.1-172.7175.8-166.70111.5E17 D48 T49 I50 R56E17-K52 IonicContact OE1-NZ 3.38Å; E17-K52 PolarHBondContact OE1-NZ 3Å; E17-K52 IonicContact OE2-NZ 3.67Å; E17-K52 PolarHBondContact OE2-NZ 2.91Å; D48-K52 VanDerWaalsContact O-CB 3.26Å; D48-K52 WeakPolarHBondContact O-CB 3.46Å; D48-K52 PolarHBondContact O-N 3.29Å; T49-K52 PolarHBondContact O-N 3.04Å; I50-K52 PolarHBondContact O-N 2.91Å; K52-R56 PolarHBondContact O-N 2.86Å
53V98.8Very high98.5Very high0 Ų050.3 Ų50.30%024%0.242CC..Hα-helixtrans-68.2-44.3-178.4-179.50000111.1E17 I20 E21 I24 T49 I50 K55 R56 L57E17-V53 HydrophobicContact CG-CG2 3.48Å; E17-V53 VanDerWaalsContact CG-CG2 3.48Å; I20-V53 HydrophobicContact CB-CG2 4.43Å; I20-V53 HydrophobicContact CG2-CB 3.91Å; I20-V53 HydrophobicContact CG2-CG1 4.05Å; I20-V53 HydrophobicContact CG2-CG2 4.1Å; E21-V53 HydrophobicContact CB-CG1 3.78Å; I24-V53 HydrophobicContact CD1-CB 4.42Å; I24-V53 HydrophobicContact CD1-CG1 3.94Å; T49-V53 HydrophobicContact CG2-CG2 4.37Å; T49-V53 VanDerWaalsContact O-CG2 3.29Å; T49-V53 WeakPolarHBondContact O-CG2 3.22Å; T49-V53 PolarHBondContact O-N 2.77Å; I50-V53 PolarHBondContact O-N 2.79Å; V53-K55 VanDerWaalsContact C-N 3.33Å; V53-K55 PolarHBondContact O-N 3.13Å; V53-R56 PolarHBondContact O-N 3.46Å; V53-R56 VanDerWaalsContact O-N 3.15Å; V53-L57 HydrophobicContact CG1-CD1 3.74Å; V53-L57 HydrophobicContact CG1-CG 4.23Å; V53-L57 WeakPolarHBondContact O-CG 3.12Å; V53-L57 PolarHBondContact O-N 2.85Å
54A98.5Very high98.5Very high10 Ų1050.2 Ų50.28%0.08324%0.242CC..Hα-helixtrans-58.3-44178.100000112I24 I50 L57 D58 K59 V61I24-A54 HydrophobicContact CD1-CB 4.33Å; I50-A54 WeakPolarHBondContact O-CB 3.35Å; I50-A54 PolarHBondContact O-N 2.64Å; A54-L57 PolarHBondContact O-N 3.25Å; A54-D58 PolarHBondContact O-N 2.84Å; A54-D58 VanDerWaalsContact O-N 3.13Å; A54-K59 PolarHBondContact O-N 3.41Å; A54-V61 HydrophobicContact CB-CB 4.34Å; A54-V61 HydrophobicContact CB-CG2 4.4Å
55K97.9Very high98.5Very high155 Ų15547.4 Ų47.467%0.67423%0.23SC*.Hα-helixtrans-63.4-42.2175-164.389.7-177.5179.50111.9R51 V53 D58 E404R51-K55 WeakPolarHBondContact O-CB 3.42Å; R51-K55 PolarHBondContact O-N 3.45Å; V53-K55 VanDerWaalsContact C-N 3.33Å; V53-K55 PolarHBondContact O-N 3.13Å; K55-D58 PolarHBondContact O-N 2.99Å; K55-E404 IonicContact NZ-OE1 2.76Å
56R98.4Very high98.5Very high111 Ų11145.8 Ų45.842%0.41921%0.213SC..Hα-helixtrans-62.8-41.4178.5178.4176.664.9-118.313.6112.1E17 E21 K52 V53 D58E17-R56 IonicContact OE1-CZ 2.65Å; E17-R56 IonicContact OE1-NH1 3.57Å; E17-R56 PolarHBondContact OE1-NH1 2.93Å; E17-R56 IonicContact OE1-NH2 3.73Å; E17-R56 PolarHBondContact OE1-NH2 2.67Å; E21-R56 IonicContact OE2-CZ 3.82Å; E21-R56 IonicContact OE2-NE 3.75Å; E21-R56 IonicContact OE2-NH2 2.99Å; E21-R56 PolarHBondContact OE2-NH2 3.28Å; K52-R56 PolarHBondContact O-N 2.86Å; V53-R56 PolarHBondContact O-N 3.46Å; V53-R56 VanDerWaalsContact O-N 3.15Å; R56-D58 VanDerWaalsContact C-N 3.29Å
57L98.2Very high98.5Very high39 Ų3945 Ų4520%0.20421%0.21CC..THydrogen-bonded Turntrans-83.2-4-178.8-63.4175.8000113.6E21 I24 V53 A54 K59E21-L57 HydrophobicContact CB-CD1 4.38Å; E21-L57 HydrophobicContact CG-CD1 4.01Å; E21-L57 HydrophobicContact CG-CD2 4.25Å; I24-L57 HydrophobicContact CB-CD1 4Å; I24-L57 HydrophobicContact CD1-CD1 4.29Å; I24-L57 HydrophobicContact CG2-CD1 3.82Å; V53-L57 HydrophobicContact CG1-CD1 3.74Å; V53-L57 HydrophobicContact CG1-CG 4.23Å; V53-L57 WeakPolarHBondContact O-CG 3.12Å; V53-L57 PolarHBondContact O-N 2.85Å; A54-L57 PolarHBondContact O-N 3.25Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 HydrophobicContact CB-CB 4.45Å; L57-K59 HydrophobicContact CB-CG 3.95Å; L57-K59 PolarHBondContact O-N 3Å
58D97Very high98.3Very high148 Ų14847.4 Ų47.479%0.79122%0.22SC*.THydrogen-bonded Turntrans51.648.1-171.6-163.236000112.1A54 K55 R56A54-D58 PolarHBondContact O-N 2.84Å; A54-D58 VanDerWaalsContact O-N 3.13Å; K55-D58 PolarHBondContact O-N 2.99Å; R56-D58 VanDerWaalsContact C-N 3.29Å
59K97.8Very high98Very high119 Ų11944 Ų4452%0.51720%0.202SC..  trans-120.6141.2179.8-65.1-64.1-179.3-173.80110.9I24 A54 L57I24-K59 HydrophobicContact CG2-CB 3.83Å; I24-K59 HydrophobicContact CG2-CG 3.8Å; A54-K59 PolarHBondContact O-N 3.41Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 HydrophobicContact CB-CB 4.45Å; L57-K59 HydrophobicContact CB-CG 3.95Å; L57-K59 PolarHBondContact O-N 3Å
60I98.3Very high97.6Very high45 Ų4542.6 Ų42.623%0.23119%0.194CC..  trans-89.7111.2176-55.2-171.1000108.6A407 R408 P418 V420I60-A407 HydrophobicContact CD1-CB 3.72Å; I60-A407 HydrophobicContact CG2-CB 4.34Å; I60-R408 HydrophobicContact CG2-CB 4.4Å; I60-R408 HydrophobicContact CG2-CG 3.74Å; I60-P418 HydrophobicContact CB-CG 4.41Å; I60-P418 HydrophobicContact CD1-CB 4.23Å; I60-P418 HydrophobicContact CD1-CG 4.11Å; I60-P418 HydrophobicContact CG2-CG 4.21Å; I60-V420 HydrophobicContact CD1-CG2 4.17Å
61V98.7Very high97.1Very high9 Ų945.1 Ų45.16%0.05521%0.206CC..  trans-127.5125.8176.2179.70000107.7I24 M28 N29 I50 A54 R408I24-V61 HydrophobicContact CD1-CG2 3.94Å; I24-V61 HydrophobicContact CG1-CG2 3.93Å; I24-V61 HydrophobicContact CG2-CG2 4.27Å; M28-V61 HydrophobicContact CE-CG1 4.12Å; N29-V61 WeakPolarHBondContact O-CA 3.47Å; I50-V61 HydrophobicContact CG2-CG1 4.28Å; A54-V61 HydrophobicContact CB-CB 4.34Å; A54-V61 HydrophobicContact CB-CG2 4.4Å; V61-R408 WeakPolarHBondContact O-CD 3.43Å
62A98.9Very high96.9Very high0 Ų041.9 Ų41.90%019%0.194CC..EExtended strand (participates in β ladder)trans-88.4162176.700000112.1N29 V30 A31 D187 F188 R408 S411N29-A62 PolarHBondContact O-N 3.33Å; V30-A62 CarbonylContact C-O 3.55Å; V30-A62 WeakPolarHBondContact CA-O 3.37Å; V30-A62 HydrophobicContact CG1-CB 4.22Å; V30-A62 HydrophobicContact CG2-CB 4.23Å; A31-A62 PolarHBondContact N-O 2.82Å; A62-D187 WeakPolarHBondContact CA-OD2 3.44Å; A62-D187 HydrophobicContact CB-CB 3.95Å; A62-F188 HydrophobicContact CB-CD2 3.99Å; A62-F188 HydrophobicContact CB-CE2 3.52Å; A62-R408 HydrophobicContact CB-CB 3.93Å; A62-R408 WeakPolarHBondContact CB-O 3.28Å; A62-S411 WeakPolarHBondContact CB-OG 3.49Å
63I98.9Very high96.7Very high1 Ų139.9 Ų39.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-114126.9174.9-59.1180000109.1A31 L33 I47 I50 R51 V186 D187 F188A31-I63 WeakPolarHBondContact O-CA 3.47Å; L33-I63 HydrophobicContact CD1-CG2 3.77Å; L33-I63 HydrophobicContact CG-CG2 4.26Å; I47-I63 HydrophobicContact CB-CD1 4.26Å; I47-I63 HydrophobicContact CG1-CD1 4.12Å; I47-I63 HydrophobicContact CG1-CG2 4.37Å; I47-I63 HydrophobicContact CG2-CD1 3.84Å; I50-I63 HydrophobicContact CB-CD1 4.48Å; I50-I63 HydrophobicContact CG2-CD1 4.26Å; I50-I63 HydrophobicContact CG2-CG1 4.2Å; R51-I63 HydrophobicContact CG-CD1 4.23Å; I63-V186 HydrophobicContact CG2-CB 4.29Å; I63-V186 HydrophobicContact CG2-CG1 3.97Å; I63-D187 PolarHBondContact N-OD2 2.94Å; I63-D187 PolarHBondContact O-N 3.13Å; I63-F188 PolarHBondContact O-N 3.09Å; I63-F188 VanDerWaalsContact O-N 3.08Å
64L98.9Very high96.7Very high0 Ų039.9 Ų39.90%018%0.184CC..EExtended strand (participates in β ladder)trans-113.1120.2176.7-179.5153.2000109.5V30 A31 R32 L33 D66 F188 A190 M240 I274V30-L64 HydrophobicContact CG1-CB 3.63Å; V30-L64 HydrophobicContact CG1-CD1 4.49Å; A31-L64 PolarHBondContact O-N 3.44Å; R32-L64 CarbonylContact C-O 3.54Å; R32-L64 WeakPolarHBondContact CA-O 3.32Å; R32-L64 HydrophobicContact CB-CD2 4.08Å; R32-L64 HydrophobicContact CG-CD2 3.85Å; L33-L64 PolarHBondContact N-O 3.14Å; L64-D66 HydrophobicContact CD2-CB 4.12Å; L64-F188 WeakPolarHBondContact CA-O 3.37Å; L64-F188 HydrophobicContact CB-CB 3.92Å; L64-F188 HydrophobicContact CB-CD2 4.41Å; L64-F188 HydrophobicContact CD1-CB 4Å; L64-F188 HydrophobicContact CG-CB 3.84Å; L64-A190 HydrophobicContact CD1-CB 4.46Å; L64-A190 HydrophobicContact CD2-CB 3.8Å; L64-A190 HydrophobicContact CG-CB 4.33Å; L64-M240 HydrophobicContact CD1-CE 4.31Å; L64-M240 HydrophobicContact CD2-CE 4.46Å; L64-I274 HydrophobicContact CD1-CD1 3.82Å
65L98.8Very high96.6Very high1 Ų140.6 Ų40.61%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-89.7120.3171.2-175.9154000108.5F35 T67 D177 V186 F188 I189 A190F35-L65 HydrophobicContact CD1-CD1 4.42Å; F35-L65 HydrophobicContact CD2-CD1 4.16Å; F35-L65 HydrophobicContact CD2-CD2 4.3Å; F35-L65 HydrophobicContact CD2-CG 3.68Å; F35-L65 HydrophobicContact CE1-CD1 3.95Å; F35-L65 HydrophobicContact CE1-CG 4.5Å; F35-L65 HydrophobicContact CE2-CB 4.46Å; F35-L65 HydrophobicContact CE2-CD1 3.69Å; F35-L65 HydrophobicContact CE2-CG 3.59Å; F35-L65 HydrophobicContact CG-CD2 4.43Å; F35-L65 HydrophobicContact CG-CG 4.21Å; F35-L65 HydrophobicContact CZ-CD1 3.56Å; F35-L65 HydrophobicContact CZ-CG 4.01Å; L65-T67 HydrophobicContact CD2-CG2 3.82Å; L65-D177 VanDerWaalsContact CD1-O 3.32Å; L65-D177 WeakPolarHBondContact CD1-O 3.18Å; L65-V186 HydrophobicContact CB-CG2 4.31Å; L65-F188 PolarHBondContact N-O 3.49Å; L65-I189 HydrophobicContact CB-CG1 4.49Å; L65-I189 CarbonylContact O-C 3.59Å; L65-I189 VanDerWaalsContact O-CA 3.3Å; L65-I189 WeakPolarHBondContact O-CA 3.4Å; L65-A190 PolarHBondContact O-N 3.2Å
66D98.7Very high96.6Very high0 Ų037 Ų370%017%0.173CC..EExtended strand (participates in β ladder)trans-101.6114.2174.9-169-27000108.8R32 L33 F35 L64 A190 S192 K219R32-D66 HydrophobicContact CG-CB 4.29Å; R32-D66 IonicContact CZ-OD2 3.93Å; R32-D66 IonicContact NE-OD2 2.8Å; R32-D66 PolarHBondContact NE-OD2 3.16Å; R32-D66 IonicContact NH2-OD2 2.64Å; R32-D66 PolarHBondContact NH2-OD2 3.33Å; L33-D66 PolarHBondContact O-N 2.94Å; F35-D66 WeakPolarHBondContact CB-O 3.36Å; F35-D66 PolarHBondContact N-O 2.91Å; L64-D66 HydrophobicContact CD2-CB 4.12Å; D66-A190 HydrophobicContact CB-CB 4.28Å; D66-S192 PolarHBondContact OD1-OG 3.06Å; D66-K219 WeakPolarHBondContact OD1-CD 3.42Å; D66-K219 IonicContact OD1-NZ 3.16Å; D66-K219 PolarHBondContact OD1-NZ 3.33Å; D66-K219 IonicContact OD2-NZ 3.3Å
67T98.2Very high96.5Very high2 Ų231.9 Ų31.91%0.01215%0.154CC..  trans-68.8156.9-177.167.60000110.5L65 D174 I178 I189 A190 S192L65-T67 HydrophobicContact CD2-CG2 3.82Å; T67-D174 WeakPolarHBondContact CB-OD1 3.32Å; T67-I178 HydrophobicContact CG2-CD1 4.35Å; T67-I178 HydrophobicContact CG2-CG1 4.19Å; T67-I189 HydrophobicContact CG2-CG2 3.9Å; T67-A190 PolarHBondContact N-O 3.11Å; T67-A190 PolarHBondContact OG1-O 2.75Å; T67-S192 WeakPolarHBondContact O-CB 3.26Å; T67-S192 PolarHBondContact O-OG 3.46Å; T67-S192 PolarHBondContact OG1-N 2.86Å
68K95.5Very high96.4Very high51 Ų5134.6 Ų34.622%0.22217%0.165CC..  trans-72.7-41.4176.1-175.6-178.6-179.2-147.90110.6E71 D174 S192K68-E71 WeakPolarHBondContact CE-OE1 3.45Å; K68-E71 IonicContact NZ-OE1 2.7Å; K68-E71 PolarHBondContact NZ-OE1 3.14Å; K68-D174 PolarHBondContact N-OD1 3.49Å; K68-S192 WeakPolarHBondContact O-CB 3.46Å
69G92.5Very high96.3Very high2 Ų234.4 Ų34.42%0.02116%0.163CC..  trans77.3171.4179.600000114.4E71 D174G69-E71 PolarHBondContact O-N 3.45Å; G69-D174 VanDerWaalsContact CA-OD2 3.23Å; G69-D174 WeakPolarHBondContact CA-OD2 3.28Å; G69-D174 PolarHBondContact N-OD1 3.42Å; G69-D174 PolarHBondContact N-OD2 3.15Å
70P90.4Very high96.2Very high4 Ų430 Ų303%0.02615%0.152CC..  trans-74.4117.5176.632.2-36.6000110.6L167 P168 T171 F193P70-L167 HydrophobicContact CB-CB 3.96Å; P70-L167 HydrophobicContact CB-CD1 4.1Å; P70-L167 HydrophobicContact CB-CG 4.47Å; P70-P168 VanDerWaalsContact CG-O 3.31Å; P70-P168 WeakPolarHBondContact CG-O 3.04Å; P70-T171 HydrophobicContact CB-CG2 4.33Å; P70-F193 HydrophobicContact CG-CB 4.24Å; P70-F193 WeakPolarHBondContact O-CD2 3.47Å
71E87.8Confident96Very high54 Ų5431.1 Ų31.125%0.25216%0.158SC..  trans-126.1149.5178.863.4-178.9172.200111.2K68 G69 R73 F193K68-E71 WeakPolarHBondContact CE-OE1 3.45Å; K68-E71 IonicContact NZ-OE1 2.7Å; K68-E71 PolarHBondContact NZ-OE1 3.14Å; G69-E71 PolarHBondContact O-N 3.45Å; E71-R73 VanDerWaalsContact CD-CZ 3.47Å; E71-R73 VanDerWaalsContact CD-NH2 3.25Å; E71-R73 HydrophobicContact CG-CG 4.2Å; E71-R73 IonicContact OE1-CZ 3.93Å; E71-R73 IonicContact OE1-NE 2.91Å; E71-R73 PolarHBondContact OE1-NE 3.3Å; E71-R73 IonicContact OE1-NH1 3.23Å; E71-R73 IonicContact OE1-NH2 3.81Å; E71-R73 PolarHBondContact OE1-NH2 3.47Å; E71-R73 IonicContact OE2-CZ 3.16Å; E71-R73 VanDerWaalsContact OE2-CZ 3.23Å; E71-R73 IonicContact OE2-NE 2.77Å; E71-R73 PolarHBondContact OE2-NE 3.05Å; E71-R73 IonicContact OE2-NH2 2.99Å; E71-R73 PolarHBondContact OE2-NH2 2.87Å; E71-F193 HydrophobicContact CB-CE2 4.39Å
72I94.2Very high95.9Very high10 Ų1031.2 Ų31.25%0.05116%0.158CC..EExtended strand (participates in β ladder)trans-96.3130.3169.3-49.8173.5000107.4V106 Y108 V158 L160 V165 L167I72-V106 HydrophobicContact CG2-CB 4.14Å; I72-Y108 HydrophobicContact CD1-CD1 3.63Å; I72-Y108 HydrophobicContact CD1-CE1 4.4Å; I72-Y108 HydrophobicContact CD1-CG 4.2Å; I72-Y108 HydrophobicContact CG1-CD1 4.13Å; I72-Y108 HydrophobicContact CG1-CG 4.2Å; I72-V158 HydrophobicContact CB-CB 3.92Å; I72-V158 HydrophobicContact CG2-CB 3.68Å; I72-V158 HydrophobicContact CG2-CG1 4.05Å; I72-V158 HydrophobicContact CG2-CG2 4.22Å; I72-V158 PolarHBondContact O-N 3.2Å; I72-L160 HydrophobicContact CD1-CD1 3.6Å; I72-L160 HydrophobicContact CD1-CG 4.17Å; I72-V165 HydrophobicContact CD1-CG1 4.1Å; I72-L167 HydrophobicContact CD1-CD1 4.44Å; I72-L167 HydrophobicContact CG1-CD1 3.81Å
73R95Very high95.8Very high77 Ų7738 Ų3829%0.29119%0.19SC..EExtended strand (participates in β ladder)trans-127157.2176.3-71.2-170.8174.2-170.810.7111.8E71 V106 T107 K155 K156E71-R73 VanDerWaalsContact CD-CZ 3.47Å; E71-R73 VanDerWaalsContact CD-NH2 3.25Å; E71-R73 HydrophobicContact CG-CG 4.2Å; E71-R73 IonicContact OE1-CZ 3.93Å; E71-R73 IonicContact OE1-NE 2.91Å; E71-R73 PolarHBondContact OE1-NE 3.3Å; E71-R73 IonicContact OE1-NH1 3.23Å; E71-R73 IonicContact OE1-NH2 3.81Å; E71-R73 PolarHBondContact OE1-NH2 3.47Å; E71-R73 IonicContact OE2-CZ 3.16Å; E71-R73 VanDerWaalsContact OE2-CZ 3.23Å; E71-R73 IonicContact OE2-NE 2.77Å; E71-R73 PolarHBondContact OE2-NE 3.05Å; E71-R73 IonicContact OE2-NH2 2.99Å; E71-R73 PolarHBondContact OE2-NH2 2.87Å; R73-V106 CarbonylContact O-C 3.54Å; R73-V106 VanDerWaalsContact O-CA 3.26Å; R73-V106 WeakPolarHBondContact O-CA 3.45Å; R73-T107 HydrophobicContact CB-CG2 4.12Å; R73-T107 PolarHBondContact N-OG1 3.13Å; R73-T107 WeakPolarHBondContact O-CG2 3.21Å; R73-T107 PolarHBondContact O-N 2.71Å; R73-T107 PolarHBondContact O-OG1 3.05Å; R73-K155 WeakPolarHBondContact CD-O 3.43Å; R73-K156 CarbonylContact C-O 3.59Å; R73-K156 WeakPolarHBondContact CA-O 3.46Å
74T97.3Very high95.7Very high0 Ų038.1 Ų38.10%019%0.19CC..BIsolated β-bridgetrans-71.5156165.262.80000110.8M77 F104 S105 L123 L152 K155 K156 V158T74-M77 VanDerWaalsContact CB-CE 3.44Å; T74-M77 HydrophobicContact CG2-CE 3.91Å; T74-F104 HydrophobicContact CG2-CD2 4.26Å; T74-F104 HydrophobicContact CG2-CE2 4.2Å; T74-S105 WeakPolarHBondContact CA-O 3.46Å; T74-L123 HydrophobicContact CG2-CD2 4.46Å; T74-L152 HydrophobicContact CG2-CD1 4.36Å; T74-L152 HydrophobicContact CG2-CD2 4.3Å; T74-K155 VanDerWaalsContact O-CA 3.3Å; T74-K155 WeakPolarHBondContact O-CA 3.37Å; T74-K155 VanDerWaalsContact O-CD 3.26Å; T74-K155 WeakPolarHBondContact O-CD 3.34Å; T74-K155 PolarHBondContact OG1-N 3.3Å; T74-K156 PolarHBondContact N-O 3.24Å; T74-K156 PolarHBondContact OG1-N 3.44Å; T74-V158 HydrophobicContact CG2-CG2 3.73Å
75H97.6Very high95.6Very high24 Ų2444 Ų4411%0.11122%0.218CC..  trans-79.5-164.3165.5-69.3102.9000111.1E96 S105 V106 K155H75-E96 HydrophobicContact CB-CG 4.24Å; H75-E96 VanDerWaalsContact CD2-CD 3.47Å; H75-E96 IonicContact CD2-OE1 3.01Å; H75-E96 PolarHBondContact CD2-OE1 3.31Å; H75-E96 IonicContact CG-OE1 3.12Å; H75-E96 IonicContact NE2-OE1 2.74Å; H75-S105 WeakPolarHBondContact CB-OG 3.45Å; H75-S105 PolarHBondContact N-O 3.18Å; H75-S105 PolarHBondContact ND1-OG 3.13Å; H75-V106 PolarHBondContact CE1-O 3.25Å; H75-V106 PolarHBondContact ND1-O 2.94Å; H75-K155 PolarHBondContact O-N 3.1Å
76N97.4Very high95.5Very high79 Ų7952.3 Ų52.342%0.42225%0.249SC..PPolyproline II helixtrans-73.7138.1179.1-66.6-20.5000110.3G99 K155N76-G99 PolarHBondContact O-N 2.89Å; N76-K155 VanDerWaalsContact OD1-CE 3.31Å; N76-K155 WeakPolarHBondContact OD1-CE 3.49Å
77M97.4Very high95.3Very high5 Ų555.3 Ų55.33%0.02528%0.28CS..BIsolated β-bridgetrans-88.9144.8173-59.6-59.8156.700109.1T74 D79 G80 I82 F104 L152 K153 N154T74-M77 VanDerWaalsContact CB-CE 3.44Å; T74-M77 HydrophobicContact CG2-CE 3.91Å; M77-D79 PolarHBondContact O-N 3.27Å; M77-G80 PolarHBondContact O-N 3.43Å; M77-I82 HydrophobicContact CB-CG1 4.38Å; M77-I82 HydrophobicContact CB-CG2 4.18Å; M77-I82 HydrophobicContact CG-CG1 4.15Å; M77-I82 HydrophobicContact SD-CD1 3.46Å; M77-I82 WeakPolarHBondContact SD-CD1 3.2Å; M77-I82 HydrophobicContact SD-CG1 3.73Å; M77-F104 HydrophobicContact CE-CB 4.22Å; M77-F104 HydrophobicContact CE-CD2 4.43Å; M77-F104 HydrophobicContact SD-CB 4.3Å; M77-L152 HydrophobicContact CE-CD2 3.31Å; M77-L152 HydrophobicContact CE-CG 3.68Å; M77-L152 HydrophobicContact SD-CD2 3.97Å; M77-L152 HydrophobicContact SD-CG 4.26Å; M77-K153 WeakPolarHBondContact CG-O 3.5Å; M77-N154 WeakPolarHBondContact CB-OD1 3.47Å; M77-N154 PolarHBondContact N-OD1 2.79Å; M77-N154 PolarHBondContact O-OD1 3.07Å
78K96.1Very high95.3Very high96 Ų9659 Ų5942%0.41730%0.3SS..G310 helixtrans-56.9136.3170.9-171.3175.8174.7179.40109.3G80 I81 E98 G99 T100K78-G80 PolarHBondContact O-N 2.82Å; K78-I81 PolarHBondContact O-N 3.34Å; K78-I81 VanDerWaalsContact O-O 3.09Å; K78-E98 HydrophobicContact CB-CG 3.87Å; K78-E98 HydrophobicContact CG-CG 4.43Å; K78-G99 WeakPolarHBondContact CB-O 3.45Å; K78-G99 PolarHBondContact N-O 3.38Å; K78-T100 HydrophobicContact CD-CG2 4.38Å
79D94.4Very high95.4Very high143 Ų14360.4 Ų60.477%0.76531%0.307SS*.G310 helixtrans58.613-177.3-54.3-47.9000114.5M77 I81M77-D79 PolarHBondContact O-N 3.27Å; D79-I81 PolarHBondContact O-N 3.41Å
80G94.6Very high95.7Very high28 Ų2860.3 Ų60.329%0.28931%0.306SS..G310 helixtrans79.4-10.9-179.200000115.2M77 K78M77-G80 PolarHBondContact O-N 3.43Å; K78-G80 PolarHBondContact O-N 2.82Å
81I95.5Very high96.1Very high67 Ų6762.3 Ų62.334%0.34432%0.316SS..EExtended strand (participates in β ladder)trans-153.5137.6-179.4-166169.5000110.5K78 D79 E151 L152 K153K78-I81 PolarHBondContact O-N 3.34Å; K78-I81 VanDerWaalsContact O-O 3.09Å; D79-I81 PolarHBondContact O-N 3.41Å; I81-E151 HydrophobicContact CD1-CB 3.91Å; I81-E151 HydrophobicContact CD1-CG 3.95Å; I81-E151 VanDerWaalsContact CD1-OE2 3.25Å; I81-E151 WeakPolarHBondContact CD1-OE2 3.5Å; I81-E151 HydrophobicContact CG1-CB 4.16Å; I81-E151 HydrophobicContact CG1-CG 4.47Å; I81-L152 WeakPolarHBondContact CA-O 3.47Å; I81-K153 HydrophobicContact CB-CG 4.39Å; I81-K153 HydrophobicContact CD1-CG 4.08Å; I81-K153 HydrophobicContact CG1-CG 3.96Å
82I96.7Very high96.6Very high12 Ų1259.8 Ų59.86%0.06230%0.304CS..EExtended strand (participates in β ladder)trans-128.6159.9171.360.4167.7000110.5M77 L84 G99 T100 E151 L152M77-I82 HydrophobicContact CB-CG1 4.38Å; M77-I82 HydrophobicContact CB-CG2 4.18Å; M77-I82 HydrophobicContact CG-CG1 4.15Å; M77-I82 HydrophobicContact SD-CD1 3.46Å; M77-I82 WeakPolarHBondContact SD-CD1 3.2Å; M77-I82 HydrophobicContact SD-CG1 3.73Å; I82-L84 HydrophobicContact CD1-CD2 4.41Å; I82-G99 WeakPolarHBondContact CG2-O 3.45Å; I82-T100 WeakPolarHBondContact CD1-O 2.85Å; I82-E151 CarbonylContact O-C 3.58Å; I82-E151 WeakPolarHBondContact O-CA 3.35Å; I82-L152 HydrophobicContact CD1-CD2 4.3Å; I82-L152 HydrophobicContact CG1-CB 3.96Å; I82-L152 PolarHBondContact N-O 2.92Å; I82-L152 PolarHBondContact O-N 2.96Å
83E96.9Very high96.8Very high142 Ų14259.4 Ų59.466%0.66430%0.302SS*.EExtended strand (participates in β ladder)trans-108133.4174.5-67-178.6178.800110.1
84L96.8Very high97Very high3 Ų355.8 Ų55.82%0.01629%0.289CS..EExtended strand (participates in β ladder)trans-110.1122172.3-64.7176.4000108.3I82 V90 L123 I128 I146 S149 G150 L152I82-L84 HydrophobicContact CD1-CD2 4.41Å; L84-V90 HydrophobicContact CD2-CB 4.48Å; L84-V90 HydrophobicContact CD2-CG2 4.1Å; L84-L123 HydrophobicContact CD1-CD1 3.97Å; L84-I128 HydrophobicContact CB-CD1 4.47Å; L84-I128 HydrophobicContact CD1-CD1 4.03Å; L84-I128 HydrophobicContact CD1-CG2 4Å; L84-I146 HydrophobicContact CB-CD1 4.02Å; L84-I146 HydrophobicContact CB-CG2 4.19Å; L84-I146 HydrophobicContact CD2-CD1 4.04Å; L84-S149 CarbonylContact O-C 3.6Å; L84-S149 WeakPolarHBondContact O-CA 3.37Å; L84-S149 WeakPolarHBondContact O-CB 3.35Å; L84-G150 PolarHBondContact N-O 3.36Å; L84-G150 PolarHBondContact O-N 3.11Å; L84-L152 HydrophobicContact CD1-CB 4.44Å; L84-L152 HydrophobicContact CD1-CD2 4.14Å
85E96.6Very high97Very high123 Ų12359.2 Ų59.258%0.57531%0.307SS*.  trans-99.7139-176.4-174.3179.6-161.100111.4N88 I146E85-N88 WeakPolarHBondContact O-CB 3.06Å; E85-N88 PolarHBondContact O-N 3.16Å; E85-N88 PolarHBondContact OE2-ND2 2.99Å; E85-N88 VanDerWaalsContact OE2-ND2 3.09Å; E85-I146 WeakPolarHBondContact O-CB 3.27Å; E85-I146 WeakPolarHBondContact O-CD1 3.44Å; E85-I146 WeakPolarHBondContact O-CG2 3.47Å
86R96Very high97Very high177 Ų17764.3 Ų64.367%0.66833%0.331SS*.THydrogen-bonded Turntrans-67.3135.2-176.7171.7175.9-174.3-167.62.4110.3N88 L147 S149R86-N88 VanDerWaalsContact C-N 3.28Å; R86-L147 WeakPolarHBondContact CD-O 3.34Å; R86-L147 VanDerWaalsContact CG-O 3.22Å; R86-L147 WeakPolarHBondContact CG-O 3.43Å; R86-L147 PolarHBondContact NE-O 3.15Å; R86-S149 WeakPolarHBondContact CB-OG 3.38Å; R86-S149 PolarHBondContact N-OG 2.97Å
87G95.5Very high97Very high63 Ų6362.7 Ų62.765%0.64932%0.324SS*.THydrogen-bonded Turntrans87.4-7.5-179.800000114.1I146G87-I146 PolarHBondContact N-O 3.34Å
88N97.4Very high97Very high79 Ų7968.4 Ų68.442%0.42235%0.35SS..  trans-86171.1169.3-67.9-11.1000110.9E85 R86 I146E85-N88 WeakPolarHBondContact O-CB 3.06Å; E85-N88 PolarHBondContact O-N 3.16Å; E85-N88 PolarHBondContact OE2-ND2 2.99Å; E85-N88 VanDerWaalsContact OE2-ND2 3.09Å; R86-N88 VanDerWaalsContact C-N 3.28Å; N88-I146 HydrophobicContact CB-CD1 4.15Å; N88-I146 PolarHBondContact O-N 2.87Å
89E98.1Very high97.1Very high80 Ų8063.8 Ų63.837%0.37433%0.331SS..EExtended strand (participates in β ladder)trans-106.9149.3177.4-61.6178142.400110.5K133 K143 C144E89-K133 VanDerWaalsContact OE1-CD 3.32Å; E89-K133 WeakPolarHBondContact OE1-CD 3.28Å; E89-K133 VanDerWaalsContact OE1-CE 3.23Å; E89-K133 WeakPolarHBondContact OE1-CE 3.43Å; E89-K133 IonicContact OE1-NZ 2.67Å; E89-K133 PolarHBondContact OE1-NZ 3.18Å; E89-K143 VanDerWaalsContact OE1-CE 3.32Å; E89-K143 WeakPolarHBondContact OE1-CE 3.37Å; E89-K143 IonicContact OE1-NZ 3.09Å; E89-K143 PolarHBondContact OE1-NZ 3.34Å; E89-K143 VanDerWaalsContact OE1-NZ 3.09Å; E89-K143 WeakPolarHBondContact OE2-CE 3.46Å; E89-K143 IonicContact OE2-NZ 2.66Å; E89-K143 PolarHBondContact OE2-NZ 2.98Å; E89-C144 CarbonylContact C-O 3.59Å; E89-C144 VanDerWaalsContact CA-O 3.26Å; E89-C144 WeakPolarHBondContact CA-O 3.47Å
90V98.4Very high97.2Very high0 Ų058.7 Ų58.70%030%0.304CS..EExtended strand (participates in β ladder)trans-135.4150.1173.566.50000110.7L84 F104 L130 C144 I146L84-V90 HydrophobicContact CD2-CB 4.48Å; L84-V90 HydrophobicContact CD2-CG2 4.1Å; V90-F104 HydrophobicContact CB-CE1 4.49Å; V90-F104 HydrophobicContact CG1-CE1 4.09Å; V90-F104 HydrophobicContact CG2-CD1 3.48Å; V90-F104 VanDerWaalsContact CG2-CD1 3.48Å; V90-F104 HydrophobicContact CG2-CE1 3.55Å; V90-L130 HydrophobicContact CG1-CD1 3.79Å; V90-L130 HydrophobicContact CG1-CD2 3.83Å; V90-L130 HydrophobicContact CG1-CG 4.43Å; V90-C144 HydrophobicContact CG1-CB 4.15Å; V90-C144 PolarHBondContact N-O 2.95Å; V90-C144 PolarHBondContact O-N 2.93Å; V90-I146 HydrophobicContact CB-CD1 4.1Å; V90-I146 HydrophobicContact CB-CG1 4.13Å; V90-I146 HydrophobicContact CG1-CD1 4.34Å; V90-I146 HydrophobicContact CG1-CG1 3.82Å
91I98.7Very high97.4Very high47 Ų4760.1 Ų60.124%0.24131%0.309CS..EExtended strand (participates in β ladder)trans-105.2121.7175.7-61.2166.6000109.6E102 K103 F104 E141I91-E102 WeakPolarHBondContact CB-O 3.49Å; I91-E102 PolarHBondContact N-O 3.49Å; I91-K103 HydrophobicContact CB-CB 4.25Å; I91-K103 HydrophobicContact CB-CG 3.99Å; I91-K103 HydrophobicContact CG2-CD 4.37Å; I91-K103 HydrophobicContact CG2-CG 4.04Å; I91-K103 VanDerWaalsContact O-CA 3.31Å; I91-K103 WeakPolarHBondContact O-CA 3.35Å; I91-F104 PolarHBondContact O-N 3.15Å; I91-E141 HydrophobicContact CG2-CB 3.82Å; I91-E141 HydrophobicContact CG2-CG 3.75Å
92V98.6Very high97.4Very high0 Ų062.8 Ų62.80%032%0.32CS..EExtended strand (participates in β ladder)trans-91.2108.1168.7-168.50000108.5M94 F104 V106 I121 L130 V142V92-M94 HydrophobicContact CB-CE 4.48Å; V92-M94 HydrophobicContact CG1-CE 3.8Å; V92-F104 HydrophobicContact CB-CZ 4.41Å; V92-F104 HydrophobicContact CG1-CE2 4.11Å; V92-F104 HydrophobicContact CG1-CZ 4.28Å; V92-F104 HydrophobicContact CG2-CE1 3.95Å; V92-F104 HydrophobicContact CG2-CE2 4.29Å; V92-F104 HydrophobicContact CG2-CZ 3.62Å; V92-V106 HydrophobicContact CG1-CG1 3.78Å; V92-V106 HydrophobicContact CG1-CG2 4.16Å; V92-I121 HydrophobicContact CG2-CD1 4.37Å; V92-L130 HydrophobicContact CG2-CD1 4.22Å; V92-V142 HydrophobicContact CB-CB 4.27Å; V92-V142 PolarHBondContact N-O 2.9Å; V92-V142 PolarHBondContact O-N 3.28Å
93S98.4Very high97.5Very high2 Ų265.1 Ų65.11%0.01433%0.33CS..EExtended strand (participates in β ladder)trans-89.3136.5179-165.30000111.6N95 F104 S105 V106S93-N95 PolarHBondContact OG-N 3.31Å; S93-N95 PolarHBondContact OG-O 2.8Å; S93-F104 PolarHBondContact N-O 3.32Å; S93-S105 VanDerWaalsContact O-CA 3.32Å; S93-S105 WeakPolarHBondContact O-CA 3.36Å; S93-S105 WeakPolarHBondContact O-CB 3.28Å; S93-V106 PolarHBondContact O-N 2.9Å
94M98.3Very high97.6Very high1 Ų158.4 Ų58.41%0.00530%0.298CS..SBendtrans-83.80.5171.8-54.8-62.496.600112.8V92 V106 E109 L111 I112 K140 V142V92-M94 HydrophobicContact CB-CE 4.48Å; V92-M94 HydrophobicContact CG1-CE 3.8Å; M94-V106 HydrophobicContact CE-CG2 3.64Å; M94-V106 HydrophobicContact SD-CG2 4.39Å; M94-E109 HydrophobicContact CB-CB 4.48Å; M94-E109 WeakPolarHBondContact CG-O 3.39Å; M94-E109 WeakPolarHBondContact O-CG 3.48Å; M94-E109 VanDerWaalsContact SD-O 3.33Å; M94-L111 HydrophobicContact CE-CB 4.12Å; M94-L111 HydrophobicContact CE-CD2 4.1Å; M94-L111 HydrophobicContact SD-CB 3.74Å; M94-I112 HydrophobicContact CG-CB 3.84Å; M94-I112 HydrophobicContact CG-CD1 4.5Å; M94-I112 HydrophobicContact CG-CG2 3.93Å; M94-I112 HydrophobicContact SD-CB 3.92Å; M94-I112 HydrophobicContact SD-CG2 4.27Å; M94-K140 HydrophobicContact CB-CB 3.91Å; M94-K140 WeakPolarHBondContact CB-O 3.26Å; M94-K140 HydrophobicContact CG-CB 4.18Å; M94-K140 WeakPolarHBondContact CG-O 3.34Å; M94-K140 PolarHBondContact N-O 2.96Å; M94-V142 HydrophobicContact CE-CG2 4.5Å
95N97.7Very high97.7Very high72 Ų7258.3 Ų58.339%0.38530%0.298SS..SBendtrans-110.5142.4170.9-56.6-46.3000108S93 V97 S105 K140S93-N95 PolarHBondContact OG-N 3.31Å; S93-N95 PolarHBondContact OG-O 2.8Å; N95-V97 PolarHBondContact O-N 2.88Å; N95-S105 WeakPolarHBondContact O-CB 3.33Å; N95-K140 PolarHBondContact OD1-NZ 3.16Å; N95-K140 VanDerWaalsContact OD1-NZ 3.13Å
96E98Very high97.7Very high131 Ų13152.6 Ų52.661%0.61227%0.271SS*.  trans-60.7127.3-178.9-175.7169.4-15900111.4H75H75-E96 HydrophobicContact CB-CG 4.24Å; H75-E96 VanDerWaalsContact CD2-CD 3.47Å; H75-E96 IonicContact CD2-OE1 3.01Å; H75-E96 PolarHBondContact CD2-OE1 3.31Å; H75-E96 IonicContact CG-OE1 3.12Å; H75-E96 IonicContact NE2-OE1 2.74Å
97V97.4Very high97.7Very high46 Ų4647 Ų4728%0.27926%0.257SS..  trans-141.1153.3174.3-58.90000110N95 G99 K103 S105N95-V97 PolarHBondContact O-N 2.88Å; V97-G99 PolarHBondContact O-N 3.19Å; V97-K103 HydrophobicContact CG2-CG 4.23Å; V97-S105 PolarHBondContact N-OG 3.07Å; V97-S105 PolarHBondContact O-OG 2.94Å; V97-S105 VanDerWaalsContact O-OG 3.06Å
98E97.4Very high97.7Very high124 Ų12445 Ų4558%0.57923%0.23SC*.  trans-67.9121.5167.5-168.5-179.5-154.800109.2K78K78-E98 HydrophobicContact CB-CG 3.87Å; K78-E98 HydrophobicContact CG-CG 4.43Å
99G97.5Very high97.6Very high0 Ų046.7 Ų46.70%024%0.235CC..BIsolated β-bridgetrans-68.7132.7-172.200000113.4N76 K78 I82 V97 K103N76-G99 PolarHBondContact O-N 2.89Å; K78-G99 WeakPolarHBondContact CB-O 3.45Å; K78-G99 PolarHBondContact N-O 3.38Å; I82-G99 WeakPolarHBondContact CG2-O 3.45Å; V97-G99 PolarHBondContact O-N 3.19Å; G99-K103 CarbonylContact C-O 3.57Å; G99-K103 WeakPolarHBondContact CA-O 3.31Å
100T97.8Very high97.5Very high35 Ų3545.8 Ų45.822%0.21523%0.233CC..  trans-127.7168.5172.178.10000109.8K78 I82 E102 K103K78-T100 HydrophobicContact CD-CG2 4.38Å; I82-T100 WeakPolarHBondContact CD1-O 2.85Å; T100-E102 WeakPolarHBondContact CB-OE2 3.42Å; T100-E102 PolarHBondContact O-N 3.39Å; T100-E102 VanDerWaalsContact O-N 3.15Å; T100-E102 PolarHBondContact OG1-N 3.24Å; T100-E102 PolarHBondContact OG1-OE2 2.64Å; T100-K103 PolarHBondContact N-O 3.46Å; T100-K103 CarbonylContact O-C 3.51Å; T100-K103 PolarHBondContact O-N 2.87Å; T100-K103 PolarHBondContact OG1-N 2.61Å
101P97Very high97.4Very high59 Ų5945.8 Ų45.838%0.38323%0.233SC..SBendtrans-55.6-28175-27.837.3000114.3
102E97.5Very high97.3Very high123 Ų12344 Ų4458%0.57522%0.223SC*.SBendtrans-87.1-30.9179.4-55.176.1-167.500113I91 T100I91-E102 WeakPolarHBondContact CB-O 3.49Å; I91-E102 PolarHBondContact N-O 3.49Å; T100-E102 WeakPolarHBondContact CB-OE2 3.42Å; T100-E102 PolarHBondContact O-N 3.39Å; T100-E102 VanDerWaalsContact O-N 3.15Å; T100-E102 PolarHBondContact OG1-N 3.24Å; T100-E102 PolarHBondContact OG1-OE2 2.64Å
103K98Very high97.2Very high61 Ų6148.6 Ų48.627%0.26525%0.248SC..EExtended strand (participates in β ladder)trans-154.1128.2-172.3-168.4173.9-165.31670112.7I91 V97 G99 T100 E141I91-K103 HydrophobicContact CB-CB 4.25Å; I91-K103 HydrophobicContact CB-CG 3.99Å; I91-K103 HydrophobicContact CG2-CD 4.37Å; I91-K103 HydrophobicContact CG2-CG 4.04Å; I91-K103 VanDerWaalsContact O-CA 3.31Å; I91-K103 WeakPolarHBondContact O-CA 3.35Å; V97-K103 HydrophobicContact CG2-CG 4.23Å; G99-K103 CarbonylContact C-O 3.57Å; G99-K103 WeakPolarHBondContact CA-O 3.31Å; T100-K103 PolarHBondContact N-O 3.46Å; T100-K103 CarbonylContact O-C 3.51Å; T100-K103 PolarHBondContact O-N 2.87Å; T100-K103 PolarHBondContact OG1-N 2.61Å; K103-E141 WeakPolarHBondContact CE-OE1 3.42Å; K103-E141 IonicContact NZ-OE1 2.56Å; K103-E141 PolarHBondContact NZ-OE1 3.26Å; K103-E141 IonicContact NZ-OE2 3.96Å
104F98.3Very high97.1Very high1 Ų150 Ų500%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-134.8173.2169.771.3-86.8000110.7T74 M77 V90 I91 V92 S93 V106 L123 L130T74-F104 HydrophobicContact CG2-CD2 4.26Å; T74-F104 HydrophobicContact CG2-CE2 4.2Å; M77-F104 HydrophobicContact CE-CB 4.22Å; M77-F104 HydrophobicContact CE-CD2 4.43Å; M77-F104 HydrophobicContact SD-CB 4.3Å; V90-F104 HydrophobicContact CB-CE1 4.49Å; V90-F104 HydrophobicContact CG1-CE1 4.09Å; V90-F104 HydrophobicContact CG2-CD1 3.48Å; V90-F104 VanDerWaalsContact CG2-CD1 3.48Å; V90-F104 HydrophobicContact CG2-CE1 3.55Å; I91-F104 PolarHBondContact O-N 3.15Å; V92-F104 HydrophobicContact CB-CZ 4.41Å; V92-F104 HydrophobicContact CG1-CE2 4.11Å; V92-F104 HydrophobicContact CG1-CZ 4.28Å; V92-F104 HydrophobicContact CG2-CE1 3.95Å; V92-F104 HydrophobicContact CG2-CE2 4.29Å; V92-F104 HydrophobicContact CG2-CZ 3.62Å; S93-F104 PolarHBondContact N-O 3.32Å; F104-V106 HydrophobicContact CE2-CG1 4.05Å; F104-L123 HydrophobicContact CE1-CD1 4.23Å; F104-L123 HydrophobicContact CE2-CD1 4.32Å; F104-L123 HydrophobicContact CE2-CD2 4.13Å; F104-L123 HydrophobicContact CZ-CD1 3.72Å; F104-L123 HydrophobicContact CZ-CD2 4.02Å; F104-L130 HydrophobicContact CE1-CD1 4.03Å; F104-L130 HydrophobicContact CZ-CD1 3.85Å
105S98.3Very high97Very high1 Ų150.4 Ų50.41%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-128159.3179.957.10000112.9T74 H75 S93 N95 V97T74-S105 WeakPolarHBondContact CA-O 3.46Å; H75-S105 WeakPolarHBondContact CB-OG 3.45Å; H75-S105 PolarHBondContact N-O 3.18Å; H75-S105 PolarHBondContact ND1-OG 3.13Å; S93-S105 VanDerWaalsContact O-CA 3.32Å; S93-S105 WeakPolarHBondContact O-CA 3.36Å; S93-S105 WeakPolarHBondContact O-CB 3.28Å; N95-S105 WeakPolarHBondContact O-CB 3.33Å; V97-S105 PolarHBondContact N-OG 3.07Å; V97-S105 PolarHBondContact O-OG 2.94Å; V97-S105 VanDerWaalsContact O-OG 3.06Å
106V98Very high96.9Very high2 Ų253.6 Ų53.61%0.01227%0.271CS..BIsolated β-bridgetrans-122154.4179.2-63.40000111.2I72 R73 H75 V92 S93 M94 F104 Y108 L111 V158I72-V106 HydrophobicContact CG2-CB 4.14Å; R73-V106 CarbonylContact O-C 3.54Å; R73-V106 VanDerWaalsContact O-CA 3.26Å; R73-V106 WeakPolarHBondContact O-CA 3.45Å; H75-V106 PolarHBondContact CE1-O 3.25Å; H75-V106 PolarHBondContact ND1-O 2.94Å; V92-V106 HydrophobicContact CG1-CG1 3.78Å; V92-V106 HydrophobicContact CG1-CG2 4.16Å; S93-V106 PolarHBondContact O-N 2.9Å; M94-V106 HydrophobicContact CE-CG2 3.64Å; M94-V106 HydrophobicContact SD-CG2 4.39Å; F104-V106 HydrophobicContact CE2-CG1 4.05Å; V106-Y108 VanDerWaalsContact C-N 3.27Å; V106-Y108 PolarHBondContact O-N 3.12Å; V106-L111 HydrophobicContact CG2-CD1 4.08Å; V106-V158 HydrophobicContact CG1-CG2 4.03Å
107T95.8Very high96.9Very high60 Ų6051.7 Ų51.737%0.36827%0.268SS..SBendtrans-72.2-18.2-179.556.40000113.7R73R73-T107 HydrophobicContact CB-CG2 4.12Å; R73-T107 PolarHBondContact N-OG1 3.13Å; R73-T107 WeakPolarHBondContact O-CG2 3.21Å; R73-T107 PolarHBondContact O-N 2.71Å; R73-T107 PolarHBondContact O-OG1 3.05Å
108Y95.6Very high96.9Very high21 Ų2151.1 Ų51.18%0.08227%0.271CS..  trans-99.691.1-179.4-179.2-128000110.6I72 V106 N110 L111 D114 V165 S166 L167I72-Y108 HydrophobicContact CD1-CD1 3.63Å; I72-Y108 HydrophobicContact CD1-CE1 4.4Å; I72-Y108 HydrophobicContact CD1-CG 4.2Å; I72-Y108 HydrophobicContact CG1-CD1 4.13Å; I72-Y108 HydrophobicContact CG1-CG 4.2Å; V106-Y108 VanDerWaalsContact C-N 3.27Å; V106-Y108 PolarHBondContact O-N 3.12Å; Y108-N110 HydrophobicContact CD2-CB 4.26Å; Y108-N110 HydrophobicContact CE1-CB 4.37Å; Y108-N110 HydrophobicContact CE2-CB 3.59Å; Y108-N110 PolarHBondContact O-N 2.97Å; Y108-N110 VanDerWaalsContact O-N 3.13Å; Y108-N110 PolarHBondContact OH-ND2 3.42Å; Y108-L111 HydrophobicContact CD1-CB 3.69Å; Y108-L111 HydrophobicContact CE1-CB 4.2Å; Y108-L111 VanDerWaalsContact O-CB 3.28Å; Y108-L111 WeakPolarHBondContact O-CB 3.25Å; Y108-L111 PolarHBondContact O-N 3.39Å; Y108-L111 VanDerWaalsContact O-N 3.09Å; Y108-D114 WeakPolarHBondContact CE1-OD2 3.48Å; Y108-D114 VanDerWaalsContact CZ-OD2 3.28Å; Y108-D114 PolarHBondContact OH-OD2 3.37Å; Y108-V165 HydrophobicContact CE1-CG1 4.14Å; Y108-S166 WeakPolarHBondContact OH-CA 3.46Å; Y108-S166 WeakPolarHBondContact OH-CB 3.49Å; Y108-S166 PolarHBondContact OH-N 3.3Å; Y108-L167 HydrophobicContact CD2-CD2 3.48Å; Y108-L167 VanDerWaalsContact CD2-CD2 3.48Å; Y108-L167 HydrophobicContact CD2-CG 4.1Å; Y108-L167 HydrophobicContact CE2-CD2 3.71Å; Y108-L167 HydrophobicContact CE2-CG 4.02Å; Y108-L167 HydrophobicContact CG-CD2 4.15Å
109E94.6Very high96.9Very high115 Ų11546 Ų4654%0.53725%0.249SC..THydrogen-bonded Turntrans-63.4-19.4-176.7-52.7-169.2-179.700114M94 L111 K140M94-E109 HydrophobicContact CB-CB 4.48Å; M94-E109 WeakPolarHBondContact CG-O 3.39Å; M94-E109 WeakPolarHBondContact O-CG 3.48Å; M94-E109 VanDerWaalsContact SD-O 3.33Å; E109-L111 VanDerWaalsContact C-N 3.33Å; E109-K140 IonicContact OE2-NZ 3.51Å; E109-K140 PolarHBondContact OE2-NZ 3.46Å
110N95.4Very high96.9Very high61 Ų6150.5 Ų50.533%0.32627%0.267SS..THydrogen-bonded Turntrans-89.42.4-180-165.663.1000112.7Y108 I112 N113Y108-N110 HydrophobicContact CD2-CB 4.26Å; Y108-N110 HydrophobicContact CE1-CB 4.37Å; Y108-N110 HydrophobicContact CE2-CB 3.59Å; Y108-N110 PolarHBondContact O-N 2.97Å; Y108-N110 VanDerWaalsContact O-N 3.13Å; Y108-N110 PolarHBondContact OH-ND2 3.42Å; N110-I112 PolarHBondContact O-N 3.36Å; N110-I112 VanDerWaalsContact O-N 3.16Å; N110-N113 PolarHBondContact O-N 2.72Å; N110-N113 PolarHBondContact OD1-ND2 2.78Å
111L96.8Very high96.9Very high0 Ų048.8 Ų48.80%026%0.256CS..Hα-helixtrans-51.3-40.7176-178.1156.6000111.7M94 V106 Y108 E109 N113 D114 V115 I121 V142 V158 L160M94-L111 HydrophobicContact CE-CB 4.12Å; M94-L111 HydrophobicContact CE-CD2 4.1Å; M94-L111 HydrophobicContact SD-CB 3.74Å; V106-L111 HydrophobicContact CG2-CD1 4.08Å; Y108-L111 HydrophobicContact CD1-CB 3.69Å; Y108-L111 HydrophobicContact CE1-CB 4.2Å; Y108-L111 VanDerWaalsContact O-CB 3.28Å; Y108-L111 WeakPolarHBondContact O-CB 3.25Å; Y108-L111 PolarHBondContact O-N 3.39Å; Y108-L111 VanDerWaalsContact O-N 3.09Å; E109-L111 VanDerWaalsContact C-N 3.33Å; L111-N113 PolarHBondContact O-N 2.8Å; L111-N113 VanDerWaalsContact O-N 3.13Å; L111-D114 PolarHBondContact O-N 2.85Å; L111-V115 HydrophobicContact CD2-CG1 3.82Å; L111-V115 HydrophobicContact CD2-CG2 3.85Å; L111-V115 HydrophobicContact CG-CG1 4.22Å; L111-V115 PolarHBondContact O-N 2.69Å; L111-V115 VanDerWaalsContact O-N 3.15Å; L111-I121 HydrophobicContact CD2-CD1 4.14Å; L111-V142 HydrophobicContact CD2-CG2 4.25Å; L111-V158 HydrophobicContact CD1-CG1 4.49Å; L111-L160 HydrophobicContact CD1-CD1 4.13Å; L111-L160 HydrophobicContact CD1-CD2 4.02Å; L111-L160 HydrophobicContact CG-CD1 4.04Å; L111-L160 HydrophobicContact CG-CD2 4.35Å
112I97.4Very high96.9Very high8 Ų846.8 Ų46.84%0.04124%0.242CC..Hα-helixtrans-57.7-25.8-179.2-166.6166.8000114M94 N110 I135 V142M94-I112 HydrophobicContact CG-CB 3.84Å; M94-I112 HydrophobicContact CG-CD1 4.5Å; M94-I112 HydrophobicContact CG-CG2 3.93Å; M94-I112 HydrophobicContact SD-CB 3.92Å; M94-I112 HydrophobicContact SD-CG2 4.27Å; N110-I112 PolarHBondContact O-N 3.36Å; N110-I112 VanDerWaalsContact O-N 3.16Å; I112-I135 HydrophobicContact CD1-CG2 3.82Å; I112-I135 HydrophobicContact CG1-CG2 3.5Å; I112-I135 VanDerWaalsContact CG1-CG2 3.5Å; I112-V142 HydrophobicContact CB-CG2 4.13Å; I112-V142 HydrophobicContact CD1-CG2 4.31Å; I112-V142 HydrophobicContact CG1-CG2 3.86Å
113N96.3Very high96.9Very high98 Ų9841 Ų4152%0.52422%0.215SC..Hα-helixtrans-90.7-16.6179.4-66-41.3000112.9N110 L111 H137N110-N113 PolarHBondContact O-N 2.72Å; N110-N113 PolarHBondContact OD1-ND2 2.78Å; L111-N113 PolarHBondContact O-N 2.8Å; L111-N113 VanDerWaalsContact O-N 3.13Å; N113-H137 PolarHBondContact OD1-CE1 3.46Å
114D95.4Very high96.6Very high31 Ų3139.2 Ų39.217%0.16621%0.208CC..Hα-helixtrans-93.3-30.8-178.8-66.8-10000111.4Y108 L111 V163 S166Y108-D114 WeakPolarHBondContact CE1-OD2 3.48Å; Y108-D114 VanDerWaalsContact CZ-OD2 3.28Å; Y108-D114 PolarHBondContact OH-OD2 3.37Å; L111-D114 PolarHBondContact O-N 2.85Å; D114-V163 HydrophobicContact CB-CG1 3.68Å; D114-V163 WeakPolarHBondContact O-CG1 2.98Å; D114-S166 PolarHBondContact OD1-OG 3.15Å; D114-S166 PolarHBondContact OD2-N 2.82Å
115V96.6Very high96.1Very high10 Ų1044.5 Ų44.56%0.06124%0.237CC..  trans-89.8158180-56.80000113.1L111 V132 I135 V142 L160 V163L111-V115 HydrophobicContact CD2-CG1 3.82Å; L111-V115 HydrophobicContact CD2-CG2 3.85Å; L111-V115 HydrophobicContact CG-CG1 4.22Å; L111-V115 PolarHBondContact O-N 2.69Å; L111-V115 VanDerWaalsContact O-N 3.15Å; V115-V132 HydrophobicContact CB-CG2 4.35Å; V115-V132 HydrophobicContact CG2-CG2 4.31Å; V115-I135 HydrophobicContact CG2-CD1 4.23Å; V115-I135 WeakPolarHBondContact O-CD1 3.5Å; V115-V142 HydrophobicContact CG2-CG1 4.36Å; V115-V142 HydrophobicContact CG2-CG2 4.28Å; V115-L160 HydrophobicContact CG1-CD1 4.37Å; V115-L160 HydrophobicContact CG1-CD2 4.02Å; V115-V163 HydrophobicContact CG1-CG2 4.47Å
116Q96.7Very high95.7Very high138 Ų13845.7 Ų45.765%0.64525%0.25SC*.  trans-132.8165.8173.961-177.224.900110.8G118 S119 V132Q116-G118 PolarHBondContact O-N 3.18Å; Q116-S119 WeakPolarHBondContact CG-OG 3.34Å; Q116-S119 PolarHBondContact N-OG 2.88Å; Q116-S119 VanDerWaalsContact N-OG 3.13Å; Q116-S119 WeakPolarHBondContact O-CB 3.46Å; Q116-S119 PolarHBondContact O-N 3Å; Q116-S119 PolarHBondContact O-OG 3.4Å; Q116-S119 VanDerWaalsContact O-OG 3.1Å; Q116-V132 WeakPolarHBondContact O-CB 3.33Å
117V98.1Very high95.4Very high91 Ų9150.3 Ų50.355%0.55227%0.274SS*.THydrogen-bonded Turntrans-55.4128.9173.9176.70000109.9
118G97.4Very high95.4Very high34 Ų3447.4 Ų47.435%0.35126%0.256SS..THydrogen-bonded Turntrans91.2-10.4-174.300000115.5Q116 V132Q116-G118 PolarHBondContact O-N 3.18Å; G118-V132 PolarHBondContact N-O 2.76Å
119S97.1Very high95.4Very high16 Ų1649.2 Ų49.211%0.11227%0.265CS..  trans-61.7153171.5-700000111.5Q116 Q131 V132Q116-S119 WeakPolarHBondContact CG-OG 3.34Å; Q116-S119 PolarHBondContact N-OG 2.88Å; Q116-S119 VanDerWaalsContact N-OG 3.13Å; Q116-S119 WeakPolarHBondContact O-CB 3.46Å; Q116-S119 PolarHBondContact O-N 3Å; Q116-S119 PolarHBondContact O-OG 3.4Å; Q116-S119 VanDerWaalsContact O-OG 3.1Å; S119-Q131 WeakPolarHBondContact O-CA 3.17Å; S119-V132 WeakPolarHBondContact O-CG2 3.43Å; S119-V132 PolarHBondContact O-N 3.45Å
120Y96.9Very high95.6Very high95 Ų9543.8 Ų43.837%0.37324%0.24SC..EExtended strand (participates in β ladder)trans-101.1144.4175.3-63.4-90.1000110.8E129 L130 Q131 L147Y120-E129 HydrophobicContact CD1-CG 4.02Å; Y120-E129 WeakPolarHBondContact CD1-OE1 3.48Å; Y120-E129 WeakPolarHBondContact CE1-OE1 3.43Å; Y120-L130 CarbonylContact C-O 3.59Å; Y120-L130 VanDerWaalsContact CA-O 3.28Å; Y120-L130 WeakPolarHBondContact CA-O 3.4Å; Y120-Q131 HydrophobicContact CD1-CB 4.34Å; Y120-Q131 HydrophobicContact CE1-CB 4.34Å; Y120-Q131 HydrophobicContact CE1-CG 4.44Å; Y120-Q131 PolarHBondContact OH-NE2 3.46Å; Y120-L147 HydrophobicContact CD1-CD1 3.97Å; Y120-L147 HydrophobicContact CE1-CD1 3.62Å
121I97.6Very high95.7Very high0 Ų043.5 Ų43.50%024%0.237CC..EExtended strand (participates in β ladder)trans-126122172.8-54178.7000107.4V92 L111 L123 L130 V132 V158 L160V92-I121 HydrophobicContact CG2-CD1 4.37Å; L111-I121 HydrophobicContact CD2-CD1 4.14Å; I121-L123 HydrophobicContact CG2-CD2 4.1Å; I121-L130 HydrophobicContact CB-CB 4.22Å; I121-L130 PolarHBondContact N-O 3.41Å; I121-L130 WeakPolarHBondContact O-CB 3.38Å; I121-L130 PolarHBondContact O-N 3.39Å; I121-V132 HydrophobicContact CD1-CG2 3.95Å; I121-V132 HydrophobicContact CG1-CG2 4.15Å; I121-V158 HydrophobicContact CG2-CG1 3.65Å; I121-L160 HydrophobicContact CB-CD2 4.21Å; I121-L160 HydrophobicContact CD1-CD2 4.45Å; I121-L160 HydrophobicContact CG1-CD2 3.77Å; I121-L160 HydrophobicContact CG2-CD2 3.98Å
122L97Very high95.8Very high17 Ų1743.7 Ų43.79%0.08924%0.237CC..EExtended strand (participates in β ladder)trans-104136.7-178.4-81.964.2000108.7I128 E129 V158 N159 P161 V248L122-I128 CarbonylContact C-O 3.46Å; L122-I128 WeakPolarHBondContact CA-O 3.22Å; L122-E129 HydrophobicContact CD1-CG 4.06Å; L122-E129 HydrophobicContact CG-CG 4.47Å; L122-V158 CarbonylContact O-C 3.55Å; L122-V158 VanDerWaalsContact O-CA 3.28Å; L122-V158 WeakPolarHBondContact O-CA 3.18Å; L122-N159 HydrophobicContact CB-CB 3.94Å; L122-N159 PolarHBondContact N-O 3.13Å; L122-N159 PolarHBondContact O-N 2.94Å; L122-P161 HydrophobicContact CD1-CG 3.51Å; L122-P161 HydrophobicContact CD2-CG 3.91Å; L122-P161 HydrophobicContact CG-CG 4.29Å; L122-V248 HydrophobicContact CD2-CG1 4.15Å; L122-V248 WeakPolarHBondContact CD2-O 3.48Å
123L96.8Very high95.9Very high0 Ų047.4 Ų47.40%025%0.253CS..EExtended strand (participates in β ladder)trans-120.6147179.5-47.5175.5000110.3T74 L84 F104 I121 G126 L127 I128 L130 L152 G157 V158T74-L123 HydrophobicContact CG2-CD2 4.46Å; L84-L123 HydrophobicContact CD1-CD1 3.97Å; F104-L123 HydrophobicContact CE1-CD1 4.23Å; F104-L123 HydrophobicContact CE2-CD1 4.32Å; F104-L123 HydrophobicContact CE2-CD2 4.13Å; F104-L123 HydrophobicContact CZ-CD1 3.72Å; F104-L123 HydrophobicContact CZ-CD2 4.02Å; I121-L123 HydrophobicContact CG2-CD2 4.1Å; L123-G126 PolarHBondContact O-N 3.03Å; L123-L127 PolarHBondContact O-N 2.58Å; L123-L127 VanDerWaalsContact O-N 3.09Å; L123-I128 HydrophobicContact CB-CB 4.23Å; L123-I128 HydrophobicContact CD1-CG2 4.38Å; L123-I128 PolarHBondContact N-O 2.8Å; L123-I128 PolarHBondContact O-N 2.95Å; L123-L130 HydrophobicContact CD1-CD1 3.93Å; L123-L130 HydrophobicContact CD1-CG 4.27Å; L123-L130 HydrophobicContact CG-CD1 4.35Å; L123-L152 HydrophobicContact CB-CD1 3.98Å; L123-L152 HydrophobicContact CD1-CD1 4.32Å; L123-L152 HydrophobicContact CD1-CD2 3.87Å; L123-G157 WeakPolarHBondContact CA-O 3.31Å; L123-V158 HydrophobicContact CD2-CB 4.38Å; L123-V158 HydrophobicContact CD2-CG1 4.07Å; L123-V158 HydrophobicContact CD2-CG2 3.8Å
124D92.8Very high95.9Very high24 Ų2447.1 Ų47.113%0.12825%0.252CS..THydrogen-bonded Turntrans52.460.4177.8-158.912000111.8G126 L127 L152 K156 G157D124-G126 PolarHBondContact O-N 3.02Å; D124-L127 HydrophobicContact CB-CB 4.2Å; D124-L127 VanDerWaalsContact O-CB 3.28Å; D124-L127 WeakPolarHBondContact O-CB 3.41Å; D124-L127 PolarHBondContact O-N 3.13Å; D124-L127 VanDerWaalsContact O-N 3.13Å; D124-L152 HydrophobicContact CB-CD1 4.36Å; D124-K156 HydrophobicContact CB-CB 3.99Å; D124-K156 HydrophobicContact CB-CD 4.49Å; D124-K156 HydrophobicContact CB-CG 4.1Å; D124-K156 VanDerWaalsContact OD1-CD 3.24Å; D124-K156 WeakPolarHBondContact OD1-CD 3.47Å; D124-K156 WeakPolarHBondContact OD1-CE 3.4Å; D124-K156 IonicContact OD1-NZ 2.68Å; D124-K156 PolarHBondContact OD1-NZ 3.09Å; D124-K156 VanDerWaalsContact OD2-CE 3.23Å; D124-K156 WeakPolarHBondContact OD2-CE 3.24Å; D124-K156 IonicContact OD2-NZ 2.92Å; D124-K156 PolarHBondContact OD2-NZ 2.69Å; D124-G157 PolarHBondContact N-O 3.15Å
125D87.9Confident96.1Very high112 Ų11247.3 Ų47.360%0.59925%0.252SS*.THydrogen-bonded Turntrans56.535.2179-51-28.4000113.3V248D125-V248 HydrophobicContact CB-CG2 4.28Å
126G89.3Confident96.1Very high27 Ų2749 Ų4928%0.27826%0.261SS..THydrogen-bonded Turntrans86.28.9178.200000115.1L123 D124 I128L123-G126 PolarHBondContact O-N 3.03Å; D124-G126 PolarHBondContact O-N 3.02Å; G126-I128 VanDerWaalsContact C-N 3.3Å; G126-I128 PolarHBondContact O-N 3.02Å
127L91.3Very high96.2Very high98 Ų9847.7 Ų47.751%0.51326%0.255SS..THydrogen-bonded Turntrans-61.1-40.4176.1-175.667.9000112.1L123 D124L123-L127 PolarHBondContact O-N 2.58Å; L123-L127 VanDerWaalsContact O-N 3.09Å; D124-L127 HydrophobicContact CB-CB 4.2Å; D124-L127 VanDerWaalsContact O-CB 3.28Å; D124-L127 WeakPolarHBondContact O-CB 3.41Å; D124-L127 PolarHBondContact O-N 3.13Å; D124-L127 VanDerWaalsContact O-N 3.13Å
128I95.5Very high96.1Very high0 Ų048.1 Ų48.10%027%0.268CS..EExtended strand (participates in β ladder)trans-120.6128.8-179.1-55.2174000108.3L84 L122 L123 G126 L130 L152L84-I128 HydrophobicContact CB-CD1 4.47Å; L84-I128 HydrophobicContact CD1-CD1 4.03Å; L84-I128 HydrophobicContact CD1-CG2 4Å; L122-I128 CarbonylContact C-O 3.46Å; L122-I128 WeakPolarHBondContact CA-O 3.22Å; L123-I128 HydrophobicContact CB-CB 4.23Å; L123-I128 HydrophobicContact CD1-CG2 4.38Å; L123-I128 PolarHBondContact N-O 2.8Å; L123-I128 PolarHBondContact O-N 2.95Å; G126-I128 VanDerWaalsContact C-N 3.3Å; G126-I128 PolarHBondContact O-N 3.02Å; I128-L130 HydrophobicContact CG2-CD2 4.17Å; I128-L152 HydrophobicContact CD1-CB 4.11Å
129E96.9Very high96.1Very high59 Ų5952.1 Ų52.128%0.27628%0.276SS..EExtended strand (participates in β ladder)trans-113.1129.9179.3-170.5-178.2132.400109.6Y120 L122 L147Y120-E129 HydrophobicContact CD1-CG 4.02Å; Y120-E129 WeakPolarHBondContact CD1-OE1 3.48Å; Y120-E129 WeakPolarHBondContact CE1-OE1 3.43Å; L122-E129 HydrophobicContact CD1-CG 4.06Å; L122-E129 HydrophobicContact CG-CG 4.47Å; E129-L147 HydrophobicContact CB-CB 4.36Å; E129-L147 HydrophobicContact CG-CD1 4.16Å; E129-L147 WeakPolarHBondContact O-CB 3.22Å; E129-L147 PolarHBondContact O-N 3.02Å; E129-L147 WeakPolarHBondContact OE1-CD1 3.47Å
130L98.2Very high96.1Very high0 Ų054.6 Ų54.60%028%0.284CS..EExtended strand (participates in β ladder)trans-114.8150.5175.4-50.7-178.1000109.7V90 V92 F104 Y120 I121 L123 I128 C144 D145 I146V90-L130 HydrophobicContact CG1-CD1 3.79Å; V90-L130 HydrophobicContact CG1-CD2 3.83Å; V90-L130 HydrophobicContact CG1-CG 4.43Å; V92-L130 HydrophobicContact CG2-CD1 4.22Å; F104-L130 HydrophobicContact CE1-CD1 4.03Å; F104-L130 HydrophobicContact CZ-CD1 3.85Å; Y120-L130 CarbonylContact C-O 3.59Å; Y120-L130 VanDerWaalsContact CA-O 3.28Å; Y120-L130 WeakPolarHBondContact CA-O 3.4Å; I121-L130 HydrophobicContact CB-CB 4.22Å; I121-L130 PolarHBondContact N-O 3.41Å; I121-L130 WeakPolarHBondContact O-CB 3.38Å; I121-L130 PolarHBondContact O-N 3.39Å; L123-L130 HydrophobicContact CD1-CD1 3.93Å; L123-L130 HydrophobicContact CD1-CG 4.27Å; L123-L130 HydrophobicContact CG-CD1 4.35Å; I128-L130 HydrophobicContact CG2-CD2 4.17Å; L130-C144 HydrophobicContact CB-CB 3.92Å; L130-C144 HydrophobicContact CD1-CB 4.33Å; L130-D145 CarbonylContact C-O 3.58Å; L130-D145 WeakPolarHBondContact CA-O 3.41Å; L130-I146 HydrophobicContact CD2-CB 4.14Å; L130-I146 HydrophobicContact CD2-CG1 3.74Å; L130-I146 HydrophobicContact CD2-CG2 4.22Å
131Q98.4Very high96.2Very high56 Ų5651.6 Ų51.626%0.26227%0.274SS..EExtended strand (participates in β ladder)trans-120.2128.5170.9-179.8170.859.800110.9S119 Y120 K133 C144 D145 L147S119-Q131 WeakPolarHBondContact O-CA 3.17Å; Y120-Q131 HydrophobicContact CD1-CB 4.34Å; Y120-Q131 HydrophobicContact CE1-CB 4.34Å; Y120-Q131 HydrophobicContact CE1-CG 4.44Å; Y120-Q131 PolarHBondContact OH-NE2 3.46Å; Q131-K133 PolarHBondContact O-N 2.95Å; Q131-C144 CarbonylContact O-C 3.43Å; Q131-C144 WeakPolarHBondContact O-CA 3.15Å; Q131-C144 WeakPolarHBondContact O-CB 3.15Å; Q131-D145 PolarHBondContact N-O 3.07Å; Q131-D145 PolarHBondContact O-N 3.29Å; Q131-L147 HydrophobicContact CB-CD1 3.98Å; Q131-L147 HydrophobicContact CB-CD2 4.39Å; Q131-L147 HydrophobicContact CB-CG 4.26Å
132V98.5Very high96.2Very high3 Ų351.6 Ų51.62%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-66.4119.6-179179.40000110.3V115 Q116 G118 S119 I121 I135 V142V115-V132 HydrophobicContact CB-CG2 4.35Å; V115-V132 HydrophobicContact CG2-CG2 4.31Å; Q116-V132 WeakPolarHBondContact O-CB 3.33Å; G118-V132 PolarHBondContact N-O 2.76Å; S119-V132 WeakPolarHBondContact O-CG2 3.43Å; S119-V132 PolarHBondContact O-N 3.45Å; I121-V132 HydrophobicContact CD1-CG2 3.95Å; I121-V132 HydrophobicContact CG1-CG2 4.15Å; V132-I135 HydrophobicContact CG1-CD1 4.12Å; V132-I135 HydrophobicContact CG1-CG1 3.83Å; V132-V142 HydrophobicContact CB-CG1 4.29Å; V132-V142 HydrophobicContact CG1-CG1 3.61Å; V132-V142 HydrophobicContact CG2-CG1 3.84Å
133K98.2Very high96.3Very high86 Ų8654.3 Ų54.337%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-97.4-44.9-178.5-172.1-178-155.91400112.6E89 Q131 K143 D145E89-K133 VanDerWaalsContact OE1-CD 3.32Å; E89-K133 WeakPolarHBondContact OE1-CD 3.28Å; E89-K133 VanDerWaalsContact OE1-CE 3.23Å; E89-K133 WeakPolarHBondContact OE1-CE 3.43Å; E89-K133 IonicContact OE1-NZ 2.67Å; E89-K133 PolarHBondContact OE1-NZ 3.18Å; Q131-K133 PolarHBondContact O-N 2.95Å; K133-K143 WeakPolarHBondContact CA-O 3.07Å; K133-K143 WeakPolarHBondContact CB-O 3.49Å; K133-K143 PolarHBondContact N-O 3.44Å; K133-D145 IonicContact NZ-OD1 2.77Å; K133-D145 PolarHBondContact NZ-OD1 3.37Å; K133-D145 IonicContact NZ-OD2 3.62Å
134D98.4Very high96.4Very high93 Ų9354.3 Ų54.350%0.49729%0.285SS..EExtended strand (participates in β ladder)trans-153.6154.2-178.2-168.424.2000110.7K143D134-K143 HydrophobicContact CB-CB 4.3Å; D134-K143 PolarHBondContact N-O 2.88Å; D134-K143 PolarHBondContact O-N 3.48Å
135I98.3Very high96.6Very high34 Ų3455.1 Ų55.117%0.17429%0.289CS..EExtended strand (participates in β ladder)trans-127.7112-177-58.3178.8000109.5I112 V115 V132 V142I112-I135 HydrophobicContact CD1-CG2 3.82Å; I112-I135 HydrophobicContact CG1-CG2 3.5Å; I112-I135 VanDerWaalsContact CG1-CG2 3.5Å; V115-I135 HydrophobicContact CG2-CD1 4.23Å; V115-I135 WeakPolarHBondContact O-CD1 3.5Å; V132-I135 HydrophobicContact CG1-CD1 4.12Å; V132-I135 HydrophobicContact CG1-CG1 3.83Å; I135-V142 HydrophobicContact CG1-CG1 4.45Å
136D97.7Very high97.1Very high45 Ų4550 Ų5024%0.24126%0.261CS..EExtended strand (participates in β ladder)trans-102.791.4177.9-171.8-27.1000109.7A138 K139 K140 E141D136-A138 PolarHBondContact O-N 2.79Å; D136-A138 WeakPolarHBondContact OD1-CA 3.46Å; D136-A138 WeakPolarHBondContact OD1-CB 3.48Å; D136-A138 PolarHBondContact OD1-N 2.68Å; D136-K139 HydrophobicContact CB-CB 4.44Å; D136-K139 PolarHBondContact O-N 3.26Å; D136-K139 PolarHBondContact OD1-N 3.11Å; D136-K139 VanDerWaalsContact OD2-CD 3.32Å; D136-K139 WeakPolarHBondContact OD2-CD 3.42Å; D136-K139 VanDerWaalsContact OD2-CE 3.3Å; D136-K139 WeakPolarHBondContact OD2-CE 3.35Å; D136-K139 WeakPolarHBondContact OD2-CG 3.46Å; D136-K139 IonicContact OD2-NZ 2.81Å; D136-K139 PolarHBondContact OD2-NZ 2.68Å; D136-K140 WeakPolarHBondContact O-CA 3.26Å; D136-K140 PolarHBondContact O-N 3.23Å; D136-E141 PolarHBondContact N-O 3.36Å; D136-E141 PolarHBondContact O-N 3.26Å
137H97.1Very high97.5Very high112 Ų11251 Ų5152%0.51926%0.26SS..THydrogen-bonded Turntrans-65.2-23.4176.3-75.2-84.1000113.3N113N113-H137 PolarHBondContact OD1-CE1 3.46Å
138A96.8Very high97.7Very high99 Ų9949.5 Ų49.582%0.81825%0.253SS*.THydrogen-bonded Turntrans-72-36.917900000111.3D136D136-A138 PolarHBondContact O-N 2.79Å; D136-A138 WeakPolarHBondContact OD1-CA 3.46Å; D136-A138 WeakPolarHBondContact OD1-CB 3.48Å; D136-A138 PolarHBondContact OD1-N 2.68Å
139K96.8Very high97.7Very high119 Ų11952.9 Ų52.952%0.51728%0.277SS..THydrogen-bonded Turntrans-90.7-10.8173.9-63.4-178.8-162.9127.50114.1D136 E141D136-K139 HydrophobicContact CB-CB 4.44Å; D136-K139 PolarHBondContact O-N 3.26Å; D136-K139 PolarHBondContact OD1-N 3.11Å; D136-K139 VanDerWaalsContact OD2-CD 3.32Å; D136-K139 WeakPolarHBondContact OD2-CD 3.42Å; D136-K139 VanDerWaalsContact OD2-CE 3.3Å; D136-K139 WeakPolarHBondContact OD2-CE 3.35Å; D136-K139 WeakPolarHBondContact OD2-CG 3.46Å; D136-K139 IonicContact OD2-NZ 2.81Å; D136-K139 PolarHBondContact OD2-NZ 2.68Å; K139-E141 HydrophobicContact CB-CB 4.18Å; K139-E141 HydrophobicContact CB-CG 3.96Å
140K97.8Very high97.7Very high67 Ų6751 Ų5129%0.29127%0.273SS..THydrogen-bonded Turntrans55.551.4-167.8-53.5174.663.6-163.10111.5M94 N95 E109 D136M94-K140 HydrophobicContact CB-CB 3.91Å; M94-K140 WeakPolarHBondContact CB-O 3.26Å; M94-K140 HydrophobicContact CG-CB 4.18Å; M94-K140 WeakPolarHBondContact CG-O 3.34Å; M94-K140 PolarHBondContact N-O 2.96Å; N95-K140 PolarHBondContact OD1-NZ 3.16Å; N95-K140 VanDerWaalsContact OD1-NZ 3.13Å; E109-K140 IonicContact OE2-NZ 3.51Å; E109-K140 PolarHBondContact OE2-NZ 3.46Å; D136-K140 WeakPolarHBondContact O-CA 3.26Å; D136-K140 PolarHBondContact O-N 3.23Å
141E98.4Very high97.6Very high33 Ų3355.6 Ų55.615%0.15429%0.294CS..EExtended strand (participates in β ladder)trans-129.2137.4-176.2-75.5171.3-16700111.3I91 K103 D136 K139I91-E141 HydrophobicContact CG2-CB 3.82Å; I91-E141 HydrophobicContact CG2-CG 3.75Å; K103-E141 WeakPolarHBondContact CE-OE1 3.42Å; K103-E141 IonicContact NZ-OE1 2.56Å; K103-E141 PolarHBondContact NZ-OE1 3.26Å; K103-E141 IonicContact NZ-OE2 3.96Å; D136-E141 PolarHBondContact N-O 3.36Å; D136-E141 PolarHBondContact O-N 3.26Å; K139-E141 HydrophobicContact CB-CB 4.18Å; K139-E141 HydrophobicContact CB-CG 3.96Å
142V98.5Very high97.5Very high0 Ų052.9 Ų52.90%028%0.282CS..EExtended strand (participates in β ladder)trans-110.6117.3173-1760000107.8V92 M94 L111 I112 V115 V132 I135V92-V142 HydrophobicContact CB-CB 4.27Å; V92-V142 PolarHBondContact N-O 2.9Å; V92-V142 PolarHBondContact O-N 3.28Å; M94-V142 HydrophobicContact CE-CG2 4.5Å; L111-V142 HydrophobicContact CD2-CG2 4.25Å; I112-V142 HydrophobicContact CB-CG2 4.13Å; I112-V142 HydrophobicContact CD1-CG2 4.31Å; I112-V142 HydrophobicContact CG1-CG2 3.86Å; V115-V142 HydrophobicContact CG2-CG1 4.36Å; V115-V142 HydrophobicContact CG2-CG2 4.28Å; V132-V142 HydrophobicContact CB-CG1 4.29Å; V132-V142 HydrophobicContact CG1-CG1 3.61Å; V132-V142 HydrophobicContact CG2-CG1 3.84Å; I135-V142 HydrophobicContact CG1-CG1 4.45Å
143K98.6Very high97.4Very high73 Ų7357.3 Ų57.332%0.31730%0.301SS..EExtended strand (participates in β ladder)trans-89.7129.8177.6-169.9176.9-176.6-169.50108.8E89 K133 D134E89-K143 VanDerWaalsContact OE1-CE 3.32Å; E89-K143 WeakPolarHBondContact OE1-CE 3.37Å; E89-K143 IonicContact OE1-NZ 3.09Å; E89-K143 PolarHBondContact OE1-NZ 3.34Å; E89-K143 VanDerWaalsContact OE1-NZ 3.09Å; E89-K143 WeakPolarHBondContact OE2-CE 3.46Å; E89-K143 IonicContact OE2-NZ 2.66Å; E89-K143 PolarHBondContact OE2-NZ 2.98Å; K133-K143 WeakPolarHBondContact CA-O 3.07Å; K133-K143 WeakPolarHBondContact CB-O 3.49Å; K133-K143 PolarHBondContact N-O 3.44Å; D134-K143 HydrophobicContact CB-CB 4.3Å; D134-K143 PolarHBondContact N-O 2.88Å; D134-K143 PolarHBondContact O-N 3.48Å
144C98.6Very high97.2Very high0 Ų056.3 Ų56.30%030%0.299CS..EExtended strand (participates in β ladder)trans-129.7149-176.1-58.50000112.5E89 V90 L130 Q131E89-C144 CarbonylContact C-O 3.59Å; E89-C144 VanDerWaalsContact CA-O 3.26Å; E89-C144 WeakPolarHBondContact CA-O 3.47Å; V90-C144 HydrophobicContact CG1-CB 4.15Å; V90-C144 PolarHBondContact N-O 2.95Å; V90-C144 PolarHBondContact O-N 2.93Å; L130-C144 HydrophobicContact CB-CB 3.92Å; L130-C144 HydrophobicContact CD1-CB 4.33Å; Q131-C144 CarbonylContact O-C 3.43Å; Q131-C144 WeakPolarHBondContact O-CA 3.15Å; Q131-C144 WeakPolarHBondContact O-CB 3.15Å
145D98.4Very high96.9Very high41 Ų4155.8 Ų55.822%0.21929%0.293CS..EExtended strand (participates in β ladder)trans-86.8133.7165.3-64-54.6000109.4L130 Q131 K133L130-D145 CarbonylContact C-O 3.58Å; L130-D145 WeakPolarHBondContact CA-O 3.41Å; Q131-D145 PolarHBondContact N-O 3.07Å; Q131-D145 PolarHBondContact O-N 3.29Å; K133-D145 IonicContact NZ-OD1 2.77Å; K133-D145 PolarHBondContact NZ-OD1 3.37Å; K133-D145 IonicContact NZ-OD2 3.62Å
146I98.4Very high96.7Very high4 Ų456.9 Ų56.92%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-84.6118.5177.8-57.8159.9000109.2L84 E85 G87 N88 V90 L130 N148L84-I146 HydrophobicContact CB-CD1 4.02Å; L84-I146 HydrophobicContact CB-CG2 4.19Å; L84-I146 HydrophobicContact CD2-CD1 4.04Å; E85-I146 WeakPolarHBondContact O-CB 3.27Å; E85-I146 WeakPolarHBondContact O-CD1 3.44Å; E85-I146 WeakPolarHBondContact O-CG2 3.47Å; G87-I146 PolarHBondContact N-O 3.34Å; N88-I146 HydrophobicContact CB-CD1 4.15Å; N88-I146 PolarHBondContact O-N 2.87Å; V90-I146 HydrophobicContact CB-CD1 4.1Å; V90-I146 HydrophobicContact CB-CG1 4.13Å; V90-I146 HydrophobicContact CG1-CD1 4.34Å; V90-I146 HydrophobicContact CG1-CG1 3.82Å; L130-I146 HydrophobicContact CD2-CB 4.14Å; L130-I146 HydrophobicContact CD2-CG1 3.74Å; L130-I146 HydrophobicContact CD2-CG2 4.22Å; I146-N148 VanDerWaalsContact CG2-O 3.3Å; I146-N148 WeakPolarHBondContact CG2-O 3.45Å
147L97.2Very high96.5Very high48 Ų4855.5 Ų55.525%0.25129%0.292SS..  trans-92.6-36.2-175.3-58.7-174.1000113.5R86 Y120 E129 Q131R86-L147 WeakPolarHBondContact CD-O 3.34Å; R86-L147 VanDerWaalsContact CG-O 3.22Å; R86-L147 WeakPolarHBondContact CG-O 3.43Å; R86-L147 PolarHBondContact NE-O 3.15Å; Y120-L147 HydrophobicContact CD1-CD1 3.97Å; Y120-L147 HydrophobicContact CE1-CD1 3.62Å; E129-L147 HydrophobicContact CB-CB 4.36Å; E129-L147 HydrophobicContact CG-CD1 4.16Å; E129-L147 WeakPolarHBondContact O-CB 3.22Å; E129-L147 PolarHBondContact O-N 3.02Å; E129-L147 WeakPolarHBondContact OE1-CD1 3.47Å; Q131-L147 HydrophobicContact CB-CD1 3.98Å; Q131-L147 HydrophobicContact CB-CD2 4.39Å; Q131-L147 HydrophobicContact CB-CG 4.26Å
148N95Very high96.4Very high68 Ų6850.4 Ų50.436%0.36427%0.269SS..SBendtrans-123136.8177.2-67.3-31.9000109.9I146I146-N148 VanDerWaalsContact CG2-O 3.3Å; I146-N148 WeakPolarHBondContact CG2-O 3.45Å
149S96.2Very high96.4Very high71 Ų7146.6 Ų46.650%0.49724%0.235SC..  trans-79.2145.6175.9-50.50000111.3L84 R86L84-S149 CarbonylContact O-C 3.6Å; L84-S149 WeakPolarHBondContact O-CA 3.37Å; L84-S149 WeakPolarHBondContact O-CB 3.35Å; R86-S149 WeakPolarHBondContact CB-OG 3.38Å; R86-S149 PolarHBondContact N-OG 2.97Å
150G95.6Very high96.3Very high19 Ų1941 Ų4120%0.19621%0.211CC..EExtended strand (participates in β ladder)trans-176.1167175.100000114.1L84L84-G150 PolarHBondContact N-O 3.36Å; L84-G150 PolarHBondContact O-N 3.11Å
151E96.1Very high96Very high96 Ų9639.3 Ų39.345%0.44921%0.207SC..EExtended strand (participates in β ladder)trans-81.6132.9170.5-68.3177.3-177.700109.9I81 I82I81-E151 HydrophobicContact CD1-CB 3.91Å; I81-E151 HydrophobicContact CD1-CG 3.95Å; I81-E151 VanDerWaalsContact CD1-OE2 3.25Å; I81-E151 WeakPolarHBondContact CD1-OE2 3.5Å; I81-E151 HydrophobicContact CG1-CB 4.16Å; I81-E151 HydrophobicContact CG1-CG 4.47Å; I82-E151 CarbonylContact O-C 3.58Å; I82-E151 WeakPolarHBondContact O-CA 3.35Å
152L97.2Very high95.3Very high0 Ų041 Ų410%023%0.234CC..EExtended strand (participates in β ladder)trans-115.8122.9172.8-174.565.8000109.7T74 M77 I81 I82 L84 L123 D124 I128 K156T74-L152 HydrophobicContact CG2-CD1 4.36Å; T74-L152 HydrophobicContact CG2-CD2 4.3Å; M77-L152 HydrophobicContact CE-CD2 3.31Å; M77-L152 HydrophobicContact CE-CG 3.68Å; M77-L152 HydrophobicContact SD-CD2 3.97Å; M77-L152 HydrophobicContact SD-CG 4.26Å; I81-L152 WeakPolarHBondContact CA-O 3.47Å; I82-L152 HydrophobicContact CD1-CD2 4.3Å; I82-L152 HydrophobicContact CG1-CB 3.96Å; I82-L152 PolarHBondContact N-O 2.92Å; I82-L152 PolarHBondContact O-N 2.96Å; L84-L152 HydrophobicContact CD1-CB 4.44Å; L84-L152 HydrophobicContact CD1-CD2 4.14Å; L123-L152 HydrophobicContact CB-CD1 3.98Å; L123-L152 HydrophobicContact CD1-CD1 4.32Å; L123-L152 HydrophobicContact CD1-CD2 3.87Å; D124-L152 HydrophobicContact CB-CD1 4.36Å; I128-L152 HydrophobicContact CD1-CB 4.11Å; L152-K156 HydrophobicContact CD1-CB 3.98Å; L152-K156 HydrophobicContact CD1-CG 4.16Å
153K95.9Very high94.8Very high96 Ų9641.7 Ų41.742%0.41724%0.238SC..EExtended strand (participates in β ladder)trans-100.1179.5178.8-63.5175.5-179.3171.70111.3M77 I81 K156M77-K153 WeakPolarHBondContact CG-O 3.5Å; I81-K153 HydrophobicContact CB-CG 4.39Å; I81-K153 HydrophobicContact CD1-CG 4.08Å; I81-K153 HydrophobicContact CG1-CG 3.96Å; K153-K156 HydrophobicContact CB-CD 4.44Å; K153-K156 HydrophobicContact CB-CG 4.22Å; K153-K156 WeakPolarHBondContact O-CG 3.47Å
154N95Very high94.5Very high64 Ų6446.9 Ų46.934%0.34226%0.255SS..THydrogen-bonded Turntrans-61.5143.4175.6-63.9-13.4000112.6M77 K156M77-N154 WeakPolarHBondContact CB-OD1 3.47Å; M77-N154 PolarHBondContact N-OD1 2.79Å; M77-N154 PolarHBondContact O-OD1 3.07Å; N154-K156 PolarHBondContact O-N 3.38Å; N154-K156 VanDerWaalsContact O-N 3.15Å
155K92Very high94Very high82 Ų8247.3 Ų47.336%0.35726%0.257SS..THydrogen-bonded Turntrans5436.1165.6-53.9-58.4-173178.50114.1R73 T74 H75 N76R73-K155 WeakPolarHBondContact CD-O 3.43Å; T74-K155 VanDerWaalsContact O-CA 3.3Å; T74-K155 WeakPolarHBondContact O-CA 3.37Å; T74-K155 VanDerWaalsContact O-CD 3.26Å; T74-K155 WeakPolarHBondContact O-CD 3.34Å; T74-K155 PolarHBondContact OG1-N 3.3Å; H75-K155 PolarHBondContact O-N 3.1Å; N76-K155 VanDerWaalsContact OD1-CE 3.31Å; N76-K155 WeakPolarHBondContact OD1-CE 3.49Å
156K94Very high93.6Very high57 Ų5748.6 Ų48.625%0.24827%0.27CS..  trans-80.3152.5177-66.1-50.9-157.4130.30111.5R73 T74 D124 L152 K153 N154R73-K156 CarbonylContact C-O 3.59Å; R73-K156 WeakPolarHBondContact CA-O 3.46Å; T74-K156 PolarHBondContact N-O 3.24Å; T74-K156 PolarHBondContact OG1-N 3.44Å; D124-K156 HydrophobicContact CB-CB 3.99Å; D124-K156 HydrophobicContact CB-CD 4.49Å; D124-K156 HydrophobicContact CB-CG 4.1Å; D124-K156 VanDerWaalsContact OD1-CD 3.24Å; D124-K156 WeakPolarHBondContact OD1-CD 3.47Å; D124-K156 WeakPolarHBondContact OD1-CE 3.4Å; D124-K156 IonicContact OD1-NZ 2.68Å; D124-K156 PolarHBondContact OD1-NZ 3.09Å; D124-K156 VanDerWaalsContact OD2-CE 3.23Å; D124-K156 WeakPolarHBondContact OD2-CE 3.24Å; D124-K156 IonicContact OD2-NZ 2.92Å; D124-K156 PolarHBondContact OD2-NZ 2.69Å; L152-K156 HydrophobicContact CD1-CB 3.98Å; L152-K156 HydrophobicContact CD1-CG 4.16Å; K153-K156 HydrophobicContact CB-CD 4.44Å; K153-K156 HydrophobicContact CB-CG 4.22Å; K153-K156 WeakPolarHBondContact O-CG 3.47Å; N154-K156 PolarHBondContact O-N 3.38Å; N154-K156 VanDerWaalsContact O-N 3.15Å
157G92.9Very high93.2Very high16 Ų1649.6 Ų49.617%0.16528%0.275CS..EExtended strand (participates in β ladder)trans-62.8149.6178.800000112.2L123 D124L123-G157 WeakPolarHBondContact CA-O 3.31Å; D124-G157 PolarHBondContact N-O 3.15Å
158V96Very high93Very high6 Ų650.6 Ų50.64%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-129.1128.7173.7-178.80000108.4I72 T74 V106 L111 I121 L122 L123I72-V158 HydrophobicContact CB-CB 3.92Å; I72-V158 HydrophobicContact CG2-CB 3.68Å; I72-V158 HydrophobicContact CG2-CG1 4.05Å; I72-V158 HydrophobicContact CG2-CG2 4.22Å; I72-V158 PolarHBondContact O-N 3.2Å; T74-V158 HydrophobicContact CG2-CG2 3.73Å; V106-V158 HydrophobicContact CG1-CG2 4.03Å; L111-V158 HydrophobicContact CD1-CG1 4.49Å; I121-V158 HydrophobicContact CG2-CG1 3.65Å; L122-V158 CarbonylContact O-C 3.55Å; L122-V158 VanDerWaalsContact O-CA 3.28Å; L122-V158 WeakPolarHBondContact O-CA 3.18Å; L123-V158 HydrophobicContact CD2-CB 4.38Å; L123-V158 HydrophobicContact CD2-CG1 4.07Å; L123-V158 HydrophobicContact CD2-CG2 3.8Å
159N94.9Very high92.7Very high19 Ų1947.7 Ų47.710%0.10227%0.27CS..EExtended strand (participates in β ladder)trans-123.6147.3-174.9-69.491.8000110.1L122 V248 E249L122-N159 HydrophobicContact CB-CB 3.94Å; L122-N159 PolarHBondContact N-O 3.13Å; L122-N159 PolarHBondContact O-N 2.94Å; N159-V248 HydrophobicContact CB-CG1 3.89Å; N159-E249 WeakPolarHBondContact CA-OE1 3.32Å; N159-E249 VanDerWaalsContact CB-OE1 3.22Å; N159-E249 WeakPolarHBondContact CB-OE1 3.28Å; N159-E249 PolarHBondContact ND2-OE1 3.35Å
160L94.7Very high92.6Very high1 Ų145.4 Ų45.41%0.00525%0.252CS..  trans-129.274.7-172.5-59176.2000110.9I72 L111 V115 I121 G162 V163 V165 E249I72-L160 HydrophobicContact CD1-CD1 3.6Å; I72-L160 HydrophobicContact CD1-CG 4.17Å; L111-L160 HydrophobicContact CD1-CD1 4.13Å; L111-L160 HydrophobicContact CD1-CD2 4.02Å; L111-L160 HydrophobicContact CG-CD1 4.04Å; L111-L160 HydrophobicContact CG-CD2 4.35Å; V115-L160 HydrophobicContact CG1-CD1 4.37Å; V115-L160 HydrophobicContact CG1-CD2 4.02Å; I121-L160 HydrophobicContact CB-CD2 4.21Å; I121-L160 HydrophobicContact CD1-CD2 4.45Å; I121-L160 HydrophobicContact CG1-CD2 3.77Å; I121-L160 HydrophobicContact CG2-CD2 3.98Å; L160-G162 PolarHBondContact O-N 3.38Å; L160-V163 HydrophobicContact CB-CB 3.87Å; L160-V163 HydrophobicContact CB-CG1 4.41Å; L160-V163 HydrophobicContact CB-CG2 4.2Å; L160-V163 WeakPolarHBondContact O-CB 3.49Å; L160-V163 PolarHBondContact O-N 3.42Å; L160-V165 HydrophobicContact CB-CG2 4.22Å; L160-V165 HydrophobicContact CD1-CG2 4.11Å; L160-E249 PolarHBondContact N-OE1 2.64Å
161P91.5Very high92.6Very high32 Ų3246.5 Ų46.521%0.20826%0.256CS..THydrogen-bonded Turntrans-56.1130.4-176.2-29.137.7000113.3L122 V163 E249L122-P161 HydrophobicContact CD1-CG 3.51Å; L122-P161 HydrophobicContact CD2-CG 3.91Å; L122-P161 HydrophobicContact CG-CG 4.29Å; P161-V163 PolarHBondContact O-N 3.1Å; P161-E249 WeakPolarHBondContact CA-OE2 3.45Å
162G84.5Confident92.6Very high69 Ų6949.6 Ų49.671%0.71127%0.27SS*.THydrogen-bonded Turntrans72.76.2179.100000114.9L160L160-G162 PolarHBondContact O-N 3.38Å
163V89Confident92.5Very high14 Ų1453.2 Ų53.29%0.08529%0.286CS..  trans-101.6136.7178.1178.10000110.2D114 V115 L160 P161 V165D114-V163 HydrophobicContact CB-CG1 3.68Å; D114-V163 WeakPolarHBondContact O-CG1 2.98Å; V115-V163 HydrophobicContact CG1-CG2 4.47Å; L160-V163 HydrophobicContact CB-CB 3.87Å; L160-V163 HydrophobicContact CB-CG1 4.41Å; L160-V163 HydrophobicContact CB-CG2 4.2Å; L160-V163 WeakPolarHBondContact O-CB 3.49Å; L160-V163 PolarHBondContact O-N 3.42Å; P161-V163 PolarHBondContact O-N 3.1Å; V163-V165 PolarHBondContact O-N 3.27Å
164R90.6Very high92.6Very high182 Ų18248.6 Ų48.669%0.68727%0.266SS*.  trans-79.5104.9170.3-68.2-176.7-179-179.7-3108.6E224R164-E224 HydrophobicContact CG-CG 4.39Å
165V88.8Confident92.7Very high8 Ų846.1 Ų46.15%0.04825%0.254CS..  trans-81.8122.2-176-175.10000109.6I72 Y108 L160 V163 L167 R196I72-V165 HydrophobicContact CD1-CG1 4.1Å; Y108-V165 HydrophobicContact CE1-CG1 4.14Å; L160-V165 HydrophobicContact CB-CG2 4.22Å; L160-V165 HydrophobicContact CD1-CG2 4.11Å; V163-V165 PolarHBondContact O-N 3.27Å; V165-L167 HydrophobicContact CG1-CB 4.12Å; V165-L167 HydrophobicContact CG1-CD1 3.65Å; V165-L167 HydrophobicContact CG1-CG 3.68Å; V165-L167 PolarHBondContact O-N 2.87Å; V165-L167 VanDerWaalsContact O-N 3.11Å; V165-R196 PolarHBondContact O-NH1 2.76Å
166S90Very high93Very high69 Ų6947.2 Ų47.248%0.48326%0.26SS..  trans-85.835.6-177.2-51.70000113Y108 D114Y108-S166 WeakPolarHBondContact OH-CA 3.46Å; Y108-S166 WeakPolarHBondContact OH-CB 3.49Å; Y108-S166 PolarHBondContact OH-N 3.3Å; D114-S166 PolarHBondContact OD1-OG 3.15Å; D114-S166 PolarHBondContact OD2-N 2.82Å
167L90.4Very high93.2Very high24 Ų2444.6 Ų44.613%0.12625%0.249CC..  trans-76.7150.2170.2-76.7169.2000110.6P70 I72 Y108 V165 R196P70-L167 HydrophobicContact CB-CB 3.96Å; P70-L167 HydrophobicContact CB-CD1 4.1Å; P70-L167 HydrophobicContact CB-CG 4.47Å; I72-L167 HydrophobicContact CD1-CD1 4.44Å; I72-L167 HydrophobicContact CG1-CD1 3.81Å; Y108-L167 HydrophobicContact CD2-CD2 3.48Å; Y108-L167 VanDerWaalsContact CD2-CD2 3.48Å; Y108-L167 HydrophobicContact CD2-CG 4.1Å; Y108-L167 HydrophobicContact CE2-CD2 3.71Å; Y108-L167 HydrophobicContact CE2-CG 4.02Å; Y108-L167 HydrophobicContact CG-CD2 4.15Å; V165-L167 HydrophobicContact CG1-CB 4.12Å; V165-L167 HydrophobicContact CG1-CD1 3.65Å; V165-L167 HydrophobicContact CG1-CG 3.68Å; V165-L167 PolarHBondContact O-N 2.87Å; V165-L167 VanDerWaalsContact O-N 3.11Å; L167-R196 PolarHBondContact O-NH2 3.4Å
168P91.8Very high93.5Very high70 Ų7043.8 Ų43.846%0.45524%0.241SC..  trans-60.8161173.329.2-36.5000111P70 I170P70-P168 VanDerWaalsContact CG-O 3.31Å; P70-P168 WeakPolarHBondContact CG-O 3.04Å; P168-I170 VanDerWaalsContact C-N 3.34Å
169G89.7Confident93.6Very high6 Ų649.2 Ų49.26%0.06226%0.261CS..SBendtrans-66.5-36.5177.600000112.9E202G169-E202 VanDerWaalsContact CA-OE2 3.31Å; G169-E202 WeakPolarHBondContact CA-OE2 3.14Å; G169-E202 PolarHBondContact N-OE1 2.93Å; G169-E202 PolarHBondContact N-OE2 3.02Å; G169-E202 VanDerWaalsContact N-OE2 3.11Å
170I94.4Very high93.8Very high23 Ų2349.2 Ų49.212%0.11826%0.26CS..SBendtrans-132.3151.8176.155.7174000112.5P168 D174 A175 I178 E202 I203 I206P168-I170 VanDerWaalsContact C-N 3.34Å; I170-D174 HydrophobicContact CB-CB 4.03Å; I170-D174 HydrophobicContact CG2-CB 4.33Å; I170-A175 HydrophobicContact CD1-CB 4.15Å; I170-I178 HydrophobicContact CG2-CD1 4.37Å; I170-E202 HydrophobicContact CD1-CB 4.25Å; I170-E202 HydrophobicContact CG1-CB 4.22Å; I170-E202 WeakPolarHBondContact CG1-OE2 3.45Å; I170-E202 PolarHBondContact N-OE2 3.04Å; I170-I203 HydrophobicContact CG2-CD1 3.89Å; I170-I203 HydrophobicContact CG2-CG1 3.57Å; I170-I206 HydrophobicContact CD1-CD1 3.45Å; I170-I206 VanDerWaalsContact CD1-CD1 3.45Å
171T94.8Very high94Very high43 Ų4349.2 Ų49.226%0.26426%0.26SS..  trans-85.7166.7169.368.40000111.5P70 K173 D174 A175P70-T171 HydrophobicContact CB-CG2 4.33Å; T171-K173 VanDerWaalsContact C-N 3.26Å; T171-K173 PolarHBondContact O-N 3.25Å; T171-D174 WeakPolarHBondContact CB-OD2 3.32Å; T171-D174 WeakPolarHBondContact CG2-OD2 3.18Å; T171-D174 PolarHBondContact N-OD2 2.85Å; T171-D174 PolarHBondContact O-N 3.49Å; T171-D174 VanDerWaalsContact O-N 3.13Å; T171-D174 PolarHBondContact OG1-N 3.13Å; T171-D174 PolarHBondContact OG1-OD2 2.89Å; T171-A175 PolarHBondContact O-N 3.48Å
172E95.8Very high94.3Very high161 Ų16148.7 Ų48.775%0.75226%0.255SS*.Hα-helixtrans-57.7-41.5172.1-174.8174.1-163.400111.4D174 A175 E176E172-D174 PolarHBondContact O-N 3.21Å; E172-A175 WeakPolarHBondContact O-CB 3.36Å; E172-A175 PolarHBondContact O-N 3.11Å; E172-E176 PolarHBondContact O-N 3.17Å
173K95.7Very high95Very high75 Ų7553 Ų5333%0.32626%0.255SS..Hα-helixtrans-59.8-45.7172.9170.6168.5169.744.50112F35 T171 A175 E176 D177F35-K173 WeakPolarHBondContact O-CE 3.34Å; T171-K173 VanDerWaalsContact C-N 3.26Å; T171-K173 PolarHBondContact O-N 3.25Å; K173-A175 VanDerWaalsContact C-N 3.27Å; K173-A175 PolarHBondContact O-N 3.07Å; K173-E176 WeakPolarHBondContact O-CB 3.38Å; K173-E176 PolarHBondContact O-N 3.43Å; K173-D177 WeakPolarHBondContact CE-OD2 3.32Å; K173-D177 WeakPolarHBondContact CG-OD2 3.25Å; K173-D177 VanDerWaalsContact NZ-CG 3.3Å; K173-D177 IonicContact NZ-OD1 3.4Å; K173-D177 PolarHBondContact NZ-OD1 3.23Å; K173-D177 IonicContact NZ-OD2 2.83Å; K173-D177 PolarHBondContact NZ-OD2 2.74Å; K173-D177 WeakPolarHBondContact O-CB 3.16Å; K173-D177 PolarHBondContact O-N 3.26Å
174D97.6Very high95.4Very high0 Ų053.6 Ų53.60%026%0.256CS..Hα-helixtrans-62.1-39.2178.8-62.7-50.8000110.9T67 K68 G69 I170 T171 E172 E176 D177 I178T67-D174 WeakPolarHBondContact CB-OD1 3.32Å; K68-D174 PolarHBondContact N-OD1 3.49Å; G69-D174 VanDerWaalsContact CA-OD2 3.23Å; G69-D174 WeakPolarHBondContact CA-OD2 3.28Å; G69-D174 PolarHBondContact N-OD1 3.42Å; G69-D174 PolarHBondContact N-OD2 3.15Å; I170-D174 HydrophobicContact CB-CB 4.03Å; I170-D174 HydrophobicContact CG2-CB 4.33Å; T171-D174 WeakPolarHBondContact CB-OD2 3.32Å; T171-D174 WeakPolarHBondContact CG2-OD2 3.18Å; T171-D174 PolarHBondContact N-OD2 2.85Å; T171-D174 PolarHBondContact O-N 3.49Å; T171-D174 VanDerWaalsContact O-N 3.13Å; T171-D174 PolarHBondContact OG1-N 3.13Å; T171-D174 PolarHBondContact OG1-OD2 2.89Å; E172-D174 PolarHBondContact O-N 3.21Å; D174-E176 VanDerWaalsContact C-N 3.34Å; D174-E176 PolarHBondContact O-N 3.43Å; D174-D177 PolarHBondContact O-N 2.97Å; D174-I178 WeakPolarHBondContact O-CB 3.49Å; D174-I178 WeakPolarHBondContact O-CD1 3.17Å; D174-I178 WeakPolarHBondContact O-CG1 3.39Å; D174-I178 PolarHBondContact O-N 3.01Å
175A97.9Very high95.8Very high12 Ų1250 Ų5010%0.09925%0.25CS..Hα-helixtrans-63.3-37.7175.800000112.4I170 T171 E172 K173 R179 I206I170-A175 HydrophobicContact CD1-CB 4.15Å; T171-A175 PolarHBondContact O-N 3.48Å; E172-A175 WeakPolarHBondContact O-CB 3.36Å; E172-A175 PolarHBondContact O-N 3.11Å; K173-A175 VanDerWaalsContact C-N 3.27Å; K173-A175 PolarHBondContact O-N 3.07Å; A175-R179 VanDerWaalsContact O-CG 3.3Å; A175-R179 WeakPolarHBondContact O-CG 3.49Å; A175-R179 PolarHBondContact O-N 3.23Å; A175-R179 PolarHBondContact O-NH1 2.72Å; A175-I206 HydrophobicContact CB-CD1 3.93Å
176E98Very high96.2Very high105 Ų10549.6 Ų49.649%0.49125%0.248SC..Hα-helixtrans-66.9-44.4171.9-69179.6169.200112.3E172 K173 D174 I178 R179 F180E172-E176 PolarHBondContact O-N 3.17Å; K173-E176 WeakPolarHBondContact O-CB 3.38Å; K173-E176 PolarHBondContact O-N 3.43Å; D174-E176 VanDerWaalsContact C-N 3.34Å; D174-E176 PolarHBondContact O-N 3.43Å; E176-I178 PolarHBondContact O-N 3.01Å; E176-R179 PolarHBondContact O-N 3.43Å; E176-F180 PolarHBondContact O-N 3.13Å
177D98.5Very high96.7Very high1 Ų146.3 Ų46.31%0.00523%0.225CC..Hα-helixtrans-62.5-41.4178.7-66.7-20.3000111.3F35 H40 L65 K173 D174 F180 G181F35-D177 HydrophobicContact CD1-CB 3.63Å; F35-D177 VanDerWaalsContact CD1-CG 3.4Å; F35-D177 HydrophobicContact CE1-CB 4.13Å; F35-D177 HydrophobicContact CG-CB 4.38Å; H40-D177 IonicContact CD2-OD1 2.61Å; H40-D177 IonicContact CE1-OD1 2.69Å; H40-D177 IonicContact NE2-OD1 2.8Å; H40-D177 PolarHBondContact NE2-OD1 3.18Å; L65-D177 VanDerWaalsContact CD1-O 3.32Å; L65-D177 WeakPolarHBondContact CD1-O 3.18Å; K173-D177 WeakPolarHBondContact CE-OD2 3.32Å; K173-D177 WeakPolarHBondContact CG-OD2 3.25Å; K173-D177 VanDerWaalsContact NZ-CG 3.3Å; K173-D177 IonicContact NZ-OD1 3.4Å; K173-D177 PolarHBondContact NZ-OD1 3.23Å; K173-D177 IonicContact NZ-OD2 2.83Å; K173-D177 PolarHBondContact NZ-OD2 2.74Å; K173-D177 WeakPolarHBondContact O-CB 3.16Å; K173-D177 PolarHBondContact O-N 3.26Å; D174-D177 PolarHBondContact O-N 2.97Å; D177-F180 WeakPolarHBondContact O-CB 3.37Å; D177-F180 PolarHBondContact O-N 3.05Å; D177-G181 PolarHBondContact O-N 3.39Å
178I98.6Very high97.1Very high0 Ų045.3 Ų45.30%022%0.22CC..Hα-helixtrans-63-45174.8-71.1160000110.6T67 I170 D174 E176 F180 G181 I182 I189 I203 I206 L207T67-I178 HydrophobicContact CG2-CD1 4.35Å; T67-I178 HydrophobicContact CG2-CG1 4.19Å; I170-I178 HydrophobicContact CG2-CD1 4.37Å; D174-I178 WeakPolarHBondContact O-CB 3.49Å; D174-I178 WeakPolarHBondContact O-CD1 3.17Å; D174-I178 WeakPolarHBondContact O-CG1 3.39Å; D174-I178 PolarHBondContact O-N 3.01Å; E176-I178 PolarHBondContact O-N 3.01Å; I178-F180 VanDerWaalsContact C-N 3.3Å; I178-F180 PolarHBondContact O-N 2.86Å; I178-G181 CarbonylContact O-C 3.54Å; I178-G181 WeakPolarHBondContact O-CA 3.22Å; I178-G181 PolarHBondContact O-N 3.38Å; I178-I182 HydrophobicContact CG2-CD1 4.31Å; I178-I182 WeakPolarHBondContact O-CG1 3.26Å; I178-I182 PolarHBondContact O-N 2.83Å; I178-I189 HydrophobicContact CG1-CD1 4.26Å; I178-I189 HydrophobicContact CG1-CG2 4.42Å; I178-I189 HydrophobicContact CG2-CD1 3.9Å; I178-I203 HydrophobicContact CD1-CB 4.39Å; I178-I203 HydrophobicContact CD1-CD1 4.19Å; I178-I203 HydrophobicContact CD1-CG1 3.82Å; I178-I203 HydrophobicContact CD1-CG2 3.98Å; I178-I206 HydrophobicContact CG2-CG2 3.93Å; I178-L207 HydrophobicContact CG2-CD2 4.43Å
179R98.5Very high97.4Very high120 Ų12042 Ų4245%0.45320%0.198SC..Hα-helixtrans-63.4-35.7176.6-72.9-179.9-174.3103.5-1.3112.4A175 E176 I182 K183 I206A175-R179 VanDerWaalsContact O-CG 3.3Å; A175-R179 WeakPolarHBondContact O-CG 3.49Å; A175-R179 PolarHBondContact O-N 3.23Å; A175-R179 PolarHBondContact O-NH1 2.72Å; E176-R179 PolarHBondContact O-N 3.43Å; R179-I182 PolarHBondContact O-N 3.5Å; R179-K183 PolarHBondContact O-N 3.4Å; R179-K183 VanDerWaalsContact O-N 3.07Å; R179-I206 HydrophobicContact CG-CG2 4.03Å
180F98.7Very high97.8Very high19 Ų1941.7 Ų41.78%0.08320%0.195CC..Hα-helixtrans-60.9-45.6168.6170.3-89000111.3F35 H40 H43 K44 I47 E176 D177 I178 I182 K183 E184F35-F180 AromaticContact CE1-CD1 3.78Å; F35-F180 HydrophobicContact CE1-CD1 3.78Å; F35-F180 HydrophobicContact CE1-CE1 4.16Å; F35-F180 AromaticContact CZ-CD1 3.66Å; F35-F180 HydrophobicContact CZ-CD1 3.66Å; F35-F180 AromaticContact CZ-CE1 3.68Å; F35-F180 HydrophobicContact CZ-CE1 3.68Å; H40-F180 HydrophobicContact CB-CD2 3.82Å; H40-F180 HydrophobicContact CB-CE2 3.86Å; H40-F180 HydrophobicContact CB-CG 4.42Å; H40-F180 AromaticContact CG-CD2 3.77Å; H40-F180 AromaticContact CG-CG 3.97Å; H40-F180 AromaticContact ND1-CD2 3.69Å; H40-F180 AromaticContact ND1-CG 3.87Å; H40-F180 WeakPolarHBondContact O-CZ 3.5Å; H43-F180 HydrophobicContact CB-CE1 4.28Å; H43-F180 HydrophobicContact CB-CZ 4.42Å; K44-F180 HydrophobicContact CB-CE2 4.2Å; K44-F180 HydrophobicContact CB-CZ 3.99Å; K44-F180 HydrophobicContact CD-CZ 4.5Å; I47-F180 HydrophobicContact CD1-CE1 3.81Å; I47-F180 HydrophobicContact CD1-CZ 4.08Å; E176-F180 PolarHBondContact O-N 3.13Å; D177-F180 WeakPolarHBondContact O-CB 3.37Å; D177-F180 PolarHBondContact O-N 3.05Å; I178-F180 VanDerWaalsContact C-N 3.3Å; I178-F180 PolarHBondContact O-N 2.86Å; F180-I182 VanDerWaalsContact C-N 3.34Å; F180-I182 PolarHBondContact O-N 3.18Å; F180-K183 WeakPolarHBondContact O-CB 3.49Å; F180-K183 PolarHBondContact O-N 3.29Å; F180-E184 HydrophobicContact CE1-CG 4.08Å; F180-E184 HydrophobicContact CE2-CG 4.08Å; F180-E184 HydrophobicContact CZ-CG 3.8Å; F180-E184 PolarHBondContact O-N 3.43Å; F180-E184 VanDerWaalsContact O-N 3.08Å
181G98.6Very high98Very high0 Ų040.7 Ų40.70%019%0.19CC..Hα-helixtrans-56.7-43.9174.900000113.2D177 I178 E184 N185 V186D177-G181 PolarHBondContact O-N 3.39Å; I178-G181 CarbonylContact O-C 3.54Å; I178-G181 WeakPolarHBondContact O-CA 3.22Å; I178-G181 PolarHBondContact O-N 3.38Å; G181-E184 CarbonylContact O-C 3.46Å; G181-E184 PolarHBondContact O-N 2.99Å; G181-N185 PolarHBondContact O-N 3.11Å; G181-N185 VanDerWaalsContact O-N 3.11Å; G181-V186 WeakPolarHBondContact O-CG2 3.41Å; G181-V186 PolarHBondContact O-N 2.61Å
182I98.5Very high98.1Very high22 Ų2238.8 Ų38.811%0.11318%0.179CC..Hα-helixtrans-58.6-48.9174.9-65168.9000110.5I178 R179 F180 E184 N185 I206 L207 Q210 A212 I214I178-I182 HydrophobicContact CG2-CD1 4.31Å; I178-I182 WeakPolarHBondContact O-CG1 3.26Å; I178-I182 PolarHBondContact O-N 2.83Å; R179-I182 PolarHBondContact O-N 3.5Å; F180-I182 VanDerWaalsContact C-N 3.34Å; F180-I182 PolarHBondContact O-N 3.18Å; I182-E184 PolarHBondContact O-N 3.06Å; I182-N185 PolarHBondContact O-N 2.89Å; I182-N185 PolarHBondContact O-OD1 2.8Å; I182-I206 HydrophobicContact CD1-CG2 4.11Å; I182-L207 HydrophobicContact CD1-CD2 3.88Å; I182-L207 HydrophobicContact CG1-CD2 3.75Å; I182-Q210 HydrophobicContact CD1-CB 4.3Å; I182-Q210 HydrophobicContact CD1-CG 4.31Å; I182-Q210 HydrophobicContact CG2-CB 3.86Å; I182-Q210 HydrophobicContact CG2-CG 4.26Å; I182-A212 HydrophobicContact CD1-CB 4.3Å; I182-A212 HydrophobicContact CG1-CB 3.91Å; I182-A212 HydrophobicContact CG2-CB 3.97Å; I182-I214 HydrophobicContact CG1-CD1 4.05Å
183K98.4Very high98.1Very high160 Ų16033.3 Ų33.370%0.69615%0.153SC*.Hα-helixtrans-57.3-38.2179.5-179.3-176174.6-175.30112.4R179 F180 N185R179-K183 PolarHBondContact O-N 3.4Å; R179-K183 VanDerWaalsContact O-N 3.07Å; F180-K183 WeakPolarHBondContact O-CB 3.49Å; F180-K183 PolarHBondContact O-N 3.29Å; K183-N185 VanDerWaalsContact C-N 3.34Å
184E98.4Very high98.2Very high26 Ų2629.8 Ų29.812%0.12114%0.137CC..THydrogen-bonded Turntrans-88.43.5-179.7-63.9-54.5138.800114K44 I47 R51 F180 G181 I182 V186K44-E184 HydrophobicContact CD-CG 4.03Å; K44-E184 WeakPolarHBondContact CD-OE1 3.32Å; K44-E184 VanDerWaalsContact CD-OE2 3.25Å; K44-E184 WeakPolarHBondContact CD-OE2 3.38Å; K44-E184 WeakPolarHBondContact CE-OE1 3.24Å; K44-E184 WeakPolarHBondContact CE-OE2 3.2Å; K44-E184 IonicContact NZ-OE2 3.99Å; I47-E184 HydrophobicContact CD1-CB 3.94Å; I47-E184 HydrophobicContact CD1-CG 4.01Å; R51-E184 PolarHBondContact NH2-O 2.79Å; F180-E184 HydrophobicContact CE1-CG 4.08Å; F180-E184 HydrophobicContact CE2-CG 4.08Å; F180-E184 HydrophobicContact CZ-CG 3.8Å; F180-E184 PolarHBondContact O-N 3.43Å; F180-E184 VanDerWaalsContact O-N 3.08Å; G181-E184 CarbonylContact O-C 3.46Å; G181-E184 PolarHBondContact O-N 2.99Å; I182-E184 PolarHBondContact O-N 3.06Å; E184-V186 VanDerWaalsContact C-N 3.3Å; E184-V186 HydrophobicContact CB-CG1 4.28Å; E184-V186 PolarHBondContact O-N 2.98Å
185N98.1Very high98Very high105 Ų10530.1 Ų30.156%0.56114%0.139SC*.THydrogen-bonded Turntrans48.150.1-174.3-60.2-47000112.1R51 G181 I182 K183R51-N185 PolarHBondContact NH2-O 2.84Å; G181-N185 PolarHBondContact O-N 3.11Å; G181-N185 VanDerWaalsContact O-N 3.11Å; I182-N185 PolarHBondContact O-N 2.89Å; I182-N185 PolarHBondContact O-OD1 2.8Å; K183-N185 VanDerWaalsContact C-N 3.34Å
186V98.7Very high98Very high1 Ų132.3 Ų32.31%0.00614%0.144CC..  trans-64.9152.9172-56.50000109.9I47 I63 L65 G181 E184 I214I47-V186 HydrophobicContact CD1-CG1 4.27Å; I63-V186 HydrophobicContact CG2-CB 4.29Å; I63-V186 HydrophobicContact CG2-CG1 3.97Å; L65-V186 HydrophobicContact CB-CG2 4.31Å; G181-V186 WeakPolarHBondContact O-CG2 3.41Å; G181-V186 PolarHBondContact O-N 2.61Å; E184-V186 VanDerWaalsContact C-N 3.3Å; E184-V186 HydrophobicContact CB-CG1 4.28Å; E184-V186 PolarHBondContact O-N 2.98Å; V186-I214 HydrophobicContact CG2-CD1 3.91Å; V186-I214 HydrophobicContact CG2-CG2 4.38Å; V186-I214 WeakPolarHBondContact O-CD1 3.34Å; V186-I214 WeakPolarHBondContact O-CG1 3.43Å
187D98.8Very high98Very high0 Ų029.1 Ų29.10%013%0.133CC..SBendtrans-93-29.1-168.8-54.5-66.6000112.6A62 I63 S215 R408A62-D187 WeakPolarHBondContact CA-OD2 3.44Å; A62-D187 HydrophobicContact CB-CB 3.95Å; I63-D187 PolarHBondContact N-OD2 2.94Å; I63-D187 PolarHBondContact O-N 3.13Å; D187-S215 PolarHBondContact O-N 2.92Å; D187-R408 HydrophobicContact CB-CB 4.38Å; D187-R408 VanDerWaalsContact CG-NE 3.28Å; D187-R408 WeakPolarHBondContact OD1-CB 3.14Å; D187-R408 IonicContact OD1-CZ 3.62Å; D187-R408 IonicContact OD1-NE 2.72Å; D187-R408 PolarHBondContact OD1-NE 3.15Å; D187-R408 IonicContact OD1-NH2 3.64Å; D187-R408 PolarHBondContact OD1-NH2 2.56Å; D187-R408 WeakPolarHBondContact OD2-CD 3.36Å; D187-R408 IonicContact OD2-NE 3.55Å; D187-R408 PolarHBondContact OD2-NE 3.05Å; D187-R408 VanDerWaalsContact OD2-NE 3.16Å
188F98.9Very high97.9Very high2 Ų231.4 Ų31.41%0.00915%0.149CC..EExtended strand (participates in β ladder)trans-136.3146.6-178.6-56.2-76.2000112V30 A62 I63 L64 L65 S215 F217 Q409 I412V30-F188 HydrophobicContact CG1-CD2 4.17Å; V30-F188 HydrophobicContact CG1-CE2 4.44Å; V30-F188 HydrophobicContact CG2-CE2 4.39Å; A62-F188 HydrophobicContact CB-CD2 3.99Å; A62-F188 HydrophobicContact CB-CE2 3.52Å; I63-F188 PolarHBondContact O-N 3.09Å; I63-F188 VanDerWaalsContact O-N 3.08Å; L64-F188 WeakPolarHBondContact CA-O 3.37Å; L64-F188 HydrophobicContact CB-CB 3.92Å; L64-F188 HydrophobicContact CB-CD2 4.41Å; L64-F188 HydrophobicContact CD1-CB 4Å; L64-F188 HydrophobicContact CG-CB 3.84Å; L65-F188 PolarHBondContact N-O 3.49Å; F188-S215 CarbonylContact C-O 3.2Å; F188-S215 VanDerWaalsContact CA-O 3.31Å; F188-S215 WeakPolarHBondContact CA-O 3.44Å; F188-F217 HydrophobicContact CD1-CD2 4Å; F188-F217 AromaticContact CD1-CE2 3.51Å; F188-F217 HydrophobicContact CD1-CE2 3.51Å; F188-F217 HydrophobicContact CD1-CZ 4.13Å; F188-F217 AromaticContact CE1-CE2 3.78Å; F188-F217 HydrophobicContact CE1-CE2 3.78Å; F188-F217 HydrophobicContact CE1-CZ 4.07Å; F188-Q409 HydrophobicContact CZ-CB 4.46Å; F188-I412 HydrophobicContact CE1-CG2 3.81Å; F188-I412 HydrophobicContact CE2-CB 4.2Å; F188-I412 HydrophobicContact CE2-CD1 4.4Å; F188-I412 HydrophobicContact CE2-CG2 4.31Å; F188-I412 HydrophobicContact CZ-CB 3.84Å; F188-I412 HydrophobicContact CZ-CD1 4.41Å; F188-I412 HydrophobicContact CZ-CG2 3.47Å; F188-I412 VanDerWaalsContact CZ-CG2 3.47Å
189I98.9Very high97.9Very high0 Ų031.5 Ų31.50%015%0.149CC..EExtended strand (participates in β ladder)trans-118.4119.2164.5-70.2158.4000107.9L65 T67 I178 I203 L207 I214 S215 V216 F217L65-I189 HydrophobicContact CB-CG1 4.49Å; L65-I189 CarbonylContact O-C 3.59Å; L65-I189 VanDerWaalsContact O-CA 3.3Å; L65-I189 WeakPolarHBondContact O-CA 3.4Å; T67-I189 HydrophobicContact CG2-CG2 3.9Å; I178-I189 HydrophobicContact CG1-CD1 4.26Å; I178-I189 HydrophobicContact CG1-CG2 4.42Å; I178-I189 HydrophobicContact CG2-CD1 3.9Å; I189-I203 HydrophobicContact CD1-CG2 4.39Å; I189-I203 HydrophobicContact CG2-CG2 4.45Å; I189-L207 HydrophobicContact CD1-CD1 4.45Å; I189-L207 HydrophobicContact CD1-CD2 3.98Å; I189-I214 HydrophobicContact CB-CG2 4.43Å; I189-I214 HydrophobicContact CD1-CB 4.37Å; I189-I214 HydrophobicContact CD1-CD1 4.39Å; I189-I214 HydrophobicContact CD1-CG2 3.77Å; I189-I214 HydrophobicContact CG1-CG2 3.81Å; I189-S215 PolarHBondContact N-O 2.92Å; I189-V216 CarbonylContact O-C 3.3Å; I189-V216 WeakPolarHBondContact O-CA 3.05Å; I189-F217 PolarHBondContact O-N 3.26Å
190A98.8Very high97.9Very high0 Ų025.8 Ų25.80%013%0.128CC..EExtended strand (participates in β ladder)trans-91.2116166.900000109.2L64 L65 D66 T67 F217 K219 M240L64-A190 HydrophobicContact CD1-CB 4.46Å; L64-A190 HydrophobicContact CD2-CB 3.8Å; L64-A190 HydrophobicContact CG-CB 4.33Å; L65-A190 PolarHBondContact O-N 3.2Å; D66-A190 HydrophobicContact CB-CB 4.28Å; T67-A190 PolarHBondContact N-O 3.11Å; T67-A190 PolarHBondContact OG1-O 2.75Å; A190-F217 CarbonylContact C-O 3.49Å; A190-F217 WeakPolarHBondContact CA-O 3.12Å; A190-K219 HydrophobicContact CB-CD 4.12Å; A190-K219 HydrophobicContact CB-CG 4.29Å; A190-M240 HydrophobicContact CB-CE 3.85Å
191A98.4Very high97.9Very high2 Ų229 Ų292%0.01715%0.145CC..EExtended strand (participates in β ladder)trans-95.1111.5-174.500000110.3V194 I203 V216 F217 K219A191-V194 HydrophobicContact CB-CG2 3.65Å; A191-V194 WeakPolarHBondContact O-CG2 3.21Å; A191-I203 HydrophobicContact CB-CD1 3.35Å; A191-V216 HydrophobicContact CB-CG1 4.44Å; A191-F217 PolarHBondContact N-O 3.26Å; A191-K219 WeakPolarHBondContact O-CB 3.29Å; A191-K219 PolarHBondContact O-N 2.96Å
192S97Very high97.8Very high3 Ų332 Ų322%0.02116%0.159CC..THydrogen-bonded Turntrans-67.8146.9-178.7-67.80000113.4D66 T67 K68 V194 K219D66-S192 PolarHBondContact OD1-OG 3.06Å; T67-S192 WeakPolarHBondContact O-CB 3.26Å; T67-S192 PolarHBondContact O-OG 3.46Å; T67-S192 PolarHBondContact OG1-N 2.86Å; K68-S192 WeakPolarHBondContact O-CB 3.46Å; S192-V194 VanDerWaalsContact C-N 3.27Å; S192-V194 PolarHBondContact O-N 3.24Å; S192-K219 PolarHBondContact OG-NZ 3.16Å
193F94.7Very high97.8Very high47 Ų4731 Ų3121%0.20615%0.154CC..THydrogen-bonded Turntrans53.634.1174.9-56.4-81.7000115.5P70 E71 R195 E221P70-F193 HydrophobicContact CG-CB 4.24Å; P70-F193 WeakPolarHBondContact O-CD2 3.47Å; E71-F193 HydrophobicContact CB-CE2 4.39Å; F193-R195 WeakPolarHBondContact O-CG 3.46Å; F193-R195 PolarHBondContact O-N 3.37Å; F193-R195 PolarHBondContact O-NH1 2.64Å; F193-E221 HydrophobicContact CD1-CB 4.32Å; F193-E221 WeakPolarHBondContact CD1-OE2 3.32Å; F193-E221 WeakPolarHBondContact CE1-OE2 3.21Å; F193-E221 WeakPolarHBondContact CG-OE2 3.39Å; F193-E221 WeakPolarHBondContact CZ-OE2 3.34Å; F193-E221 PolarHBondContact N-OE1 3.45Å
194V97.2Very high97.8Very high1 Ų125.9 Ų25.91%0.00613%0.13CC..  trans-70.8131.1176.8170.60000110.2A191 S192 D199 V200 P218 K219 I232A191-V194 HydrophobicContact CB-CG2 3.65Å; A191-V194 WeakPolarHBondContact O-CG2 3.21Å; S192-V194 VanDerWaalsContact C-N 3.27Å; S192-V194 PolarHBondContact O-N 3.24Å; V194-D199 HydrophobicContact CG1-CB 4.21Å; V194-D199 HydrophobicContact CG2-CB 4.3Å; V194-V200 HydrophobicContact CG1-CG2 3.76Å; V194-V200 HydrophobicContact CG2-CG2 4.47Å; V194-P218 HydrophobicContact CB-CB 3.79Å; V194-P218 HydrophobicContact CG1-CB 3.78Å; V194-P218 HydrophobicContact CG1-CG 4.42Å; V194-P218 HydrophobicContact CG2-CB 4.02Å; V194-K219 PolarHBondContact N-O 3.31Å; V194-I232 HydrophobicContact CG1-CD1 4.21Å; V194-I232 HydrophobicContact CG1-CG1 4.31Å; V194-I232 HydrophobicContact CG1-CG2 4.05Å
195R95.3Very high97.8Very high7 Ų730.5 Ų30.53%0.02615%0.152CC..  trans-126.3-23.5-175.9-63.9178.3-69.5-97.9-9.3112.9F193 D199 N222 E224 N228F193-R195 WeakPolarHBondContact O-CG 3.46Å; F193-R195 PolarHBondContact O-N 3.37Å; F193-R195 PolarHBondContact O-NH1 2.64Å; R195-D199 PolarHBondContact N-OD2 2.7Å; R195-N222 WeakPolarHBondContact CD-ND2 3.41Å; R195-N222 WeakPolarHBondContact CG-OD1 3.44Å; R195-E224 HydrophobicContact CB-CB 4.09Å; R195-E224 HydrophobicContact CB-CG 3.92Å; R195-E224 WeakPolarHBondContact CD-OE2 3.35Å; R195-E224 HydrophobicContact CG-CB 4.32Å; R195-E224 IonicContact NE-OE2 2.68Å; R195-N228 WeakPolarHBondContact O-CB 3.5Å; R195-N228 PolarHBondContact O-ND2 2.65Å
196R96.9Very high97.8Very high58 Ų5826.2 Ų26.222%0.21913%0.129CC..SBendtrans-142.1161.1-174.8-65.8175.1-64.1-101.71.5111.3V165 L167 S198 D199 E224V165-R196 PolarHBondContact O-NH1 2.76Å; L167-R196 PolarHBondContact O-NH2 3.4Å; R196-S198 WeakPolarHBondContact CB-OG 3.23Å; R196-S198 PolarHBondContact O-N 3.22Å; R196-D199 PolarHBondContact N-OD2 2.72Å; R196-D199 IonicContact NE-OD1 3.2Å; R196-D199 IonicContact NH2-OD1 3.81Å; R196-D199 PolarHBondContact O-N 3.49Å; R196-E224 WeakPolarHBondContact CD-OE1 3.03Å; R196-E224 WeakPolarHBondContact CG-OE1 3.47Å; R196-E224 IonicContact CZ-OE1 2.96Å; R196-E224 IonicContact NE-OE1 3.37Å; R196-E224 IonicContact NH1-OE1 2.69Å; R196-E224 PolarHBondContact NH1-OE1 2.97Å; R196-E224 IonicContact NH1-OE2 3.35Å; R196-E224 PolarHBondContact NH1-OE2 3.43Å
197P97.9Very high97.8Very high37 Ų3726.4 Ų26.424%0.2413%0.13CC..Hα-helixtrans-57.4-33.8173.9-25.534.9000113.5D199 V200 L201 E231 V235P197-D199 PolarHBondContact O-N 2.86Å; P197-V200 PolarHBondContact O-N 2.92Å; P197-L201 VanDerWaalsContact O-CG 3.31Å; P197-L201 WeakPolarHBondContact O-CG 3.32Å; P197-L201 PolarHBondContact O-N 3.4Å; P197-E231 HydrophobicContact CG-CB 3.55Å; P197-V235 HydrophobicContact CB-CG2 3.9Å
198S97.7Very high97.8Very high50 Ų5033.8 Ų33.835%0.3517%0.165SC..Hα-helixtrans-52.9-42.117749.40000112.2R196 V200 L201 E202R196-S198 WeakPolarHBondContact CB-OG 3.23Å; R196-S198 PolarHBondContact O-N 3.22Å; S198-V200 VanDerWaalsContact C-N 3.27Å; S198-V200 PolarHBondContact O-N 3.24Å; S198-L201 PolarHBondContact O-N 3.44Å; S198-L201 VanDerWaalsContact O-N 3.09Å; S198-E202 WeakPolarHBondContact O-CG 3.33Å; S198-E202 PolarHBondContact O-N 2.96Å
199D97.7Very high97.7Very high1 Ų139.5 Ų39.51%0.00519%0.191CC..Hα-helixtrans-67.6-33.8-173.3-43.1-21.1000110.8V194 R195 R196 P197V194-D199 HydrophobicContact CG1-CB 4.21Å; V194-D199 HydrophobicContact CG2-CB 4.3Å; R195-D199 PolarHBondContact N-OD2 2.7Å; R196-D199 PolarHBondContact N-OD2 2.72Å; R196-D199 IonicContact NE-OD1 3.2Å; R196-D199 IonicContact NH2-OD1 3.81Å; R196-D199 PolarHBondContact O-N 3.49Å; P197-D199 PolarHBondContact O-N 2.86Å
200V98.5Very high97.6Very high0 Ų045.7 Ų45.70%022%0.22CC..Hα-helixtrans-73.1-42.9172.9-175.70000110.7V194 P197 S198 E202 I203 R204 V216 P218 I232 V235V194-V200 HydrophobicContact CG1-CG2 3.76Å; V194-V200 HydrophobicContact CG2-CG2 4.47Å; P197-V200 PolarHBondContact O-N 2.92Å; S198-V200 VanDerWaalsContact C-N 3.27Å; S198-V200 PolarHBondContact O-N 3.24Å; V200-E202 VanDerWaalsContact C-N 3.31Å; V200-E202 PolarHBondContact O-N 3.22Å; V200-I203 WeakPolarHBondContact O-CB 3.35Å; V200-I203 PolarHBondContact O-N 3.13Å; V200-I203 VanDerWaalsContact O-N 3.15Å; V200-R204 HydrophobicContact CG1-CG 4.37Å; V200-R204 VanDerWaalsContact O-CG 3.31Å; V200-R204 WeakPolarHBondContact O-CG 3.32Å; V200-R204 PolarHBondContact O-N 3.43Å; V200-V216 HydrophobicContact CG1-CG1 4.03Å; V200-P218 HydrophobicContact CG2-CB 4.47Å; V200-P218 HydrophobicContact CG2-CG 3.76Å; V200-I232 HydrophobicContact CG2-CG2 4.32Å; V200-V235 HydrophobicContact CB-CG2 3.89Å; V200-V235 HydrophobicContact CG1-CG2 4.09Å; V200-V235 HydrophobicContact CG2-CG2 4.3Å
201L98.3Very high97.4Very high87 Ų8755 Ų5546%0.45526%0.261SS..Hα-helixtrans-64.2-34.1-178.6-69.6171.5000112.5P197 S198 I203 R204 E205 V235P197-L201 VanDerWaalsContact O-CG 3.31Å; P197-L201 WeakPolarHBondContact O-CG 3.32Å; P197-L201 PolarHBondContact O-N 3.4Å; S198-L201 PolarHBondContact O-N 3.44Å; S198-L201 VanDerWaalsContact O-N 3.09Å; L201-I203 VanDerWaalsContact C-N 3.27Å; L201-I203 PolarHBondContact O-N 3.25Å; L201-R204 WeakPolarHBondContact O-CB 3.36Å; L201-R204 PolarHBondContact O-N 2.98Å; L201-R204 VanDerWaalsContact O-N 3.12Å; L201-E205 PolarHBondContact O-N 3.18Å; L201-V235 HydrophobicContact CD2-CB 4.22Å; L201-V235 HydrophobicContact CD2-CG1 4.15Å; L201-V235 HydrophobicContact CG-CB 4.49Å; L201-V235 HydrophobicContact CG-CG1 4.43Å
202E97.7Very high97.4Very high63 Ų6356.1 Ų56.129%0.29427%0.27SS..Hα-helixtrans-56.9-40.9172.5-74.9173.5-148.400111.7G169 I170 S198 V200G169-E202 VanDerWaalsContact CA-OE2 3.31Å; G169-E202 WeakPolarHBondContact CA-OE2 3.14Å; G169-E202 PolarHBondContact N-OE1 2.93Å; G169-E202 PolarHBondContact N-OE2 3.02Å; G169-E202 VanDerWaalsContact N-OE2 3.11Å; I170-E202 HydrophobicContact CD1-CB 4.25Å; I170-E202 HydrophobicContact CG1-CB 4.22Å; I170-E202 WeakPolarHBondContact CG1-OE2 3.45Å; I170-E202 PolarHBondContact N-OE2 3.04Å; S198-E202 WeakPolarHBondContact O-CG 3.33Å; S198-E202 PolarHBondContact O-N 2.96Å; V200-E202 VanDerWaalsContact C-N 3.31Å; V200-E202 PolarHBondContact O-N 3.22Å
203I98.5Very high97.3Very high1 Ų159.8 Ų59.81%0.00529%0.289CS..Hα-helixtrans-70.9-41.2175.5-59.9176000110.7I170 I178 I189 A191 V200 L201 E205 I206 L207 V216I170-I203 HydrophobicContact CG2-CD1 3.89Å; I170-I203 HydrophobicContact CG2-CG1 3.57Å; I178-I203 HydrophobicContact CD1-CB 4.39Å; I178-I203 HydrophobicContact CD1-CD1 4.19Å; I178-I203 HydrophobicContact CD1-CG1 3.82Å; I178-I203 HydrophobicContact CD1-CG2 3.98Å; I189-I203 HydrophobicContact CD1-CG2 4.39Å; I189-I203 HydrophobicContact CG2-CG2 4.45Å; A191-I203 HydrophobicContact CB-CD1 3.35Å; V200-I203 WeakPolarHBondContact O-CB 3.35Å; V200-I203 PolarHBondContact O-N 3.13Å; V200-I203 VanDerWaalsContact O-N 3.15Å; L201-I203 VanDerWaalsContact C-N 3.27Å; L201-I203 PolarHBondContact O-N 3.25Å; I203-E205 VanDerWaalsContact C-N 3.3Å; I203-E205 PolarHBondContact O-N 3.48Å; I203-I206 PolarHBondContact O-N 3.47Å; I203-L207 HydrophobicContact CG2-CD1 4.11Å; I203-L207 HydrophobicContact CG2-CG 4.41Å; I203-L207 WeakPolarHBondContact O-CG 3.31Å; I203-L207 PolarHBondContact O-N 3.11Å; I203-V216 HydrophobicContact CD1-CG1 4.4Å; I203-V216 HydrophobicContact CG2-CG1 4.38Å; I203-V216 HydrophobicContact CG2-CG2 3.83Å
204R98.4Very high97.5Very high52 Ų5258 Ų5820%0.19628%0.281CS..Hα-helixtrans-59.4-41.4178.7-65.9-80.4-174.1-138.54.1112.1V200 L201 L207 E208 V235 D237V200-R204 HydrophobicContact CG1-CG 4.37Å; V200-R204 VanDerWaalsContact O-CG 3.31Å; V200-R204 WeakPolarHBondContact O-CG 3.32Å; V200-R204 PolarHBondContact O-N 3.43Å; L201-R204 WeakPolarHBondContact O-CB 3.36Å; L201-R204 PolarHBondContact O-N 2.98Å; L201-R204 VanDerWaalsContact O-N 3.12Å; R204-L207 PolarHBondContact O-N 3.01Å; R204-E208 WeakPolarHBondContact O-CB 3.49Å; R204-E208 PolarHBondContact O-N 3.05Å; R204-V235 PolarHBondContact NE-O 3.47Å; R204-V235 VanDerWaalsContact NE-O 3.14Å; R204-V235 PolarHBondContact NH2-O 3.42Å; R204-D237 IonicContact CZ-OD2 2.72Å; R204-D237 IonicContact NH1-OD2 3.46Å; R204-D237 PolarHBondContact NH1-OD2 2.92Å; R204-D237 IonicContact NH2-OD1 2.76Å; R204-D237 PolarHBondContact NH2-OD1 3.31Å; R204-D237 IonicContact NH2-OD2 2.66Å; R204-D237 PolarHBondContact NH2-OD2 3.25Å
205E98Very high97.6Very high124 Ų12458.5 Ų58.558%0.57929%0.286SS*.Hα-helixtrans-58.9-48177.9-175.1174.9-179.300110.7L201 I203 L207 E208 E209L201-E205 PolarHBondContact O-N 3.18Å; I203-E205 VanDerWaalsContact C-N 3.3Å; I203-E205 PolarHBondContact O-N 3.48Å; E205-L207 VanDerWaalsContact C-N 3.31Å; E205-L207 PolarHBondContact O-N 3.45Å; E205-E208 PolarHBondContact O-N 3.49Å; E205-E209 WeakPolarHBondContact O-CG 3.41Å; E205-E209 PolarHBondContact O-N 2.87Å
206I98.1Very high97.7Very high14 Ų1458.2 Ų58.27%0.07228%0.284CS..Hα-helixtrans-60.5-39.5175.9-62.3173.1000111.7I170 A175 I178 R179 I182 I203I170-I206 HydrophobicContact CD1-CD1 3.45Å; I170-I206 VanDerWaalsContact CD1-CD1 3.45Å; A175-I206 HydrophobicContact CB-CD1 3.93Å; I178-I206 HydrophobicContact CG2-CG2 3.93Å; R179-I206 HydrophobicContact CG-CG2 4.03Å; I182-I206 HydrophobicContact CD1-CG2 4.11Å; I203-I206 PolarHBondContact O-N 3.47Å
207L98.4Very high97.8Very high6 Ų655.5 Ų55.53%0.03127%0.274CS..Hα-helixtrans-68.2-40.8177.3-66.9173000111.8I178 I182 I189 I203 R204 E205 Q210 K211 A212 I214 V216I178-L207 HydrophobicContact CG2-CD2 4.43Å; I182-L207 HydrophobicContact CD1-CD2 3.88Å; I182-L207 HydrophobicContact CG1-CD2 3.75Å; I189-L207 HydrophobicContact CD1-CD1 4.45Å; I189-L207 HydrophobicContact CD1-CD2 3.98Å; I203-L207 HydrophobicContact CG2-CD1 4.11Å; I203-L207 HydrophobicContact CG2-CG 4.41Å; I203-L207 WeakPolarHBondContact O-CG 3.31Å; I203-L207 PolarHBondContact O-N 3.11Å; R204-L207 PolarHBondContact O-N 3.01Å; E205-L207 VanDerWaalsContact C-N 3.31Å; E205-L207 PolarHBondContact O-N 3.45Å; L207-Q210 CarbonylContact O-C 3.35Å; L207-Q210 PolarHBondContact O-N 3.28Å; L207-K211 PolarHBondContact O-N 2.99Å; L207-A212 HydrophobicContact CB-CB 4.28Å; L207-A212 HydrophobicContact CD2-CB 3.77Å; L207-A212 PolarHBondContact O-N 3.26Å; L207-I214 HydrophobicContact CD1-CB 4.3Å; L207-I214 HydrophobicContact CD2-CB 3.95Å; L207-I214 HydrophobicContact CD2-CD1 3.92Å; L207-I214 HydrophobicContact CD2-CG1 4.12Å; L207-V216 HydrophobicContact CD1-CG2 3.57Å
208E97.8Very high97.9Very high155 Ų15553.8 Ų53.872%0.72426%0.263SS*.Hα-helixtrans-64.3-40.6-179.9-175.7174.1-176.900111.8R204 E205 Q210 K211R204-E208 WeakPolarHBondContact O-CB 3.49Å; R204-E208 PolarHBondContact O-N 3.05Å; E205-E208 PolarHBondContact O-N 3.49Å; E208-Q210 PolarHBondContact O-N 2.84Å; E208-Q210 VanDerWaalsContact O-N 3.12Å; E208-K211 PolarHBondContact O-N 2.94Å
209E97.5Very high97.9Very high121 Ų12152.1 Ų52.157%0.56525%0.249SC*.Hα-helixtrans-51.8-36.3174.9-74.4-179.5170.400112.6E205E205-E209 WeakPolarHBondContact O-CG 3.41Å; E205-E209 PolarHBondContact O-N 2.87Å
210Q96.3Very high97.9Very high130 Ų13052 Ų5261%0.60725%0.249SC*.THydrogen-bonded Turntrans-103.45.3179.7-63.2-63.1-17.600113.7I182 L207 E208 A212I182-Q210 HydrophobicContact CD1-CB 4.3Å; I182-Q210 HydrophobicContact CD1-CG 4.31Å; I182-Q210 HydrophobicContact CG2-CB 3.86Å; I182-Q210 HydrophobicContact CG2-CG 4.26Å; L207-Q210 CarbonylContact O-C 3.35Å; L207-Q210 PolarHBondContact O-N 3.28Å; E208-Q210 PolarHBondContact O-N 2.84Å; E208-Q210 VanDerWaalsContact O-N 3.12Å; Q210-A212 PolarHBondContact O-N 2.85Å
211K96Very high97.8Very high196 Ų19652.2 Ų52.285%0.85225%0.25SC*.THydrogen-bonded Turntrans5136.2-173.6-57.1179.6179.4178.60112.7L207 E208L207-K211 PolarHBondContact O-N 2.99Å; E208-K211 PolarHBondContact O-N 2.94Å
212A96.9Very high97.6Very high25 Ų2548.5 Ų48.521%0.20723%0.231CC..  trans-78.1128.2-17700000110.7I182 L207 Q210 I214I182-A212 HydrophobicContact CD1-CB 4.3Å; I182-A212 HydrophobicContact CG1-CB 3.91Å; I182-A212 HydrophobicContact CG2-CB 3.97Å; L207-A212 HydrophobicContact CB-CB 4.28Å; L207-A212 HydrophobicContact CD2-CB 3.77Å; L207-A212 PolarHBondContact O-N 3.26Å; Q210-A212 PolarHBondContact O-N 2.85Å; A212-I214 VanDerWaalsContact C-N 3.33Å; A212-I214 HydrophobicContact CB-CD1 4.33Å; A212-I214 HydrophobicContact CB-CG1 4.22Å; A212-I214 PolarHBondContact O-N 3.14Å
213N96.1Very high97.4Very high81 Ų8148.8 Ų48.843%0.43323%0.232SC..  trans-94.857.1-179.8179.437.1000111.5E405 Q409N213-E405 WeakPolarHBondContact CB-OE1 3.46Å; N213-E405 VanDerWaalsContact ND2-CD 3.29Å; N213-E405 PolarHBondContact ND2-OE2 3.06Å; N213-E405 VanDerWaalsContact O-OE1 3.05Å; N213-Q409 PolarHBondContact O-NE2 3.11Å
214I98.4Very high97.2Very high8 Ų849.4 Ų49.44%0.04124%0.235CC..PPolyproline II helixtrans-102131.6-177.6-53.1-176.5000109.7I182 V186 I189 L207 A212I182-I214 HydrophobicContact CG1-CD1 4.05Å; V186-I214 HydrophobicContact CG2-CD1 3.91Å; V186-I214 HydrophobicContact CG2-CG2 4.38Å; V186-I214 WeakPolarHBondContact O-CD1 3.34Å; V186-I214 WeakPolarHBondContact O-CG1 3.43Å; I189-I214 HydrophobicContact CB-CG2 4.43Å; I189-I214 HydrophobicContact CD1-CB 4.37Å; I189-I214 HydrophobicContact CD1-CD1 4.39Å; I189-I214 HydrophobicContact CD1-CG2 3.77Å; I189-I214 HydrophobicContact CG1-CG2 3.81Å; L207-I214 HydrophobicContact CD1-CB 4.3Å; L207-I214 HydrophobicContact CD2-CB 3.95Å; L207-I214 HydrophobicContact CD2-CD1 3.92Å; L207-I214 HydrophobicContact CD2-CG1 4.12Å; A212-I214 VanDerWaalsContact C-N 3.33Å; A212-I214 HydrophobicContact CB-CD1 4.33Å; A212-I214 HydrophobicContact CB-CG1 4.22Å; A212-I214 PolarHBondContact O-N 3.14Å
215S98.7Very high97.1Very high13 Ų1347 Ų479%0.09123%0.225CC..EExtended strand (participates in β ladder)trans-79.9129178.9-70.40000111.3D187 F188 I189 D237 Q409D187-S215 PolarHBondContact O-N 2.92Å; F188-S215 CarbonylContact C-O 3.2Å; F188-S215 VanDerWaalsContact CA-O 3.31Å; F188-S215 WeakPolarHBondContact CA-O 3.44Å; I189-S215 PolarHBondContact N-O 2.92Å; S215-D237 VanDerWaalsContact CA-OD2 3.24Å; S215-D237 WeakPolarHBondContact CA-OD2 3.5Å; S215-Q409 PolarHBondContact OG-NE2 3.45Å
216V98.8Very high97.1Very high0 Ų042.2 Ų42.20%020%0.204CC..EExtended strand (participates in β ladder)trans-102.1126.1-177.6-178.70000110.9I189 A191 V200 I203 L207 D237 G238I189-V216 CarbonylContact O-C 3.3Å; I189-V216 WeakPolarHBondContact O-CA 3.05Å; A191-V216 HydrophobicContact CB-CG1 4.44Å; V200-V216 HydrophobicContact CG1-CG1 4.03Å; I203-V216 HydrophobicContact CD1-CG1 4.4Å; I203-V216 HydrophobicContact CG2-CG1 4.38Å; I203-V216 HydrophobicContact CG2-CG2 3.83Å; L207-V216 HydrophobicContact CD1-CG2 3.57Å; V216-D237 PolarHBondContact N-OD2 3.4Å; V216-D237 PolarHBondContact O-N 3.47Å; V216-G238 PolarHBondContact O-N 2.96Å
217F98.9Very high97.1Very high2 Ų246.4 Ų46.41%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-118.2100.6-176.1-81.7-123000109.2F188 I189 A190 A191 K219 D237 P272 I274 I412F188-F217 HydrophobicContact CD1-CD2 4Å; F188-F217 AromaticContact CD1-CE2 3.51Å; F188-F217 HydrophobicContact CD1-CE2 3.51Å; F188-F217 HydrophobicContact CD1-CZ 4.13Å; F188-F217 AromaticContact CE1-CE2 3.78Å; F188-F217 HydrophobicContact CE1-CE2 3.78Å; F188-F217 HydrophobicContact CE1-CZ 4.07Å; I189-F217 PolarHBondContact O-N 3.26Å; A190-F217 CarbonylContact C-O 3.49Å; A190-F217 WeakPolarHBondContact CA-O 3.12Å; A191-F217 PolarHBondContact N-O 3.26Å; F217-K219 PolarHBondContact O-N 3.17Å; F217-D237 HydrophobicContact CE2-CB 4.48Å; F217-P272 HydrophobicContact CE1-CB 4.15Å; F217-P272 WeakPolarHBondContact CE1-O 3.43Å; F217-P272 HydrophobicContact CZ-CB 4.03Å; F217-P272 HydrophobicContact CZ-CG 4.36Å; F217-I274 HydrophobicContact CD1-CD1 3.77Å; F217-I274 HydrophobicContact CD1-CG1 4.14Å; F217-I274 HydrophobicContact CE1-CD1 4.05Å; F217-I274 HydrophobicContact CE1-CG1 4.12Å; F217-I412 HydrophobicContact CE1-CD1 4.04Å; F217-I412 HydrophobicContact CZ-CD1 4.26Å; F217-I412 HydrophobicContact CZ-CG2 4.08Å
218P98.7Very high97Very high0 Ų048.1 Ų48.10%024%0.235CC..EExtended strand (participates in β ladder)trans-60.4138.3172.9-20.732.2000111.4V194 V200 I220 I232 S236 G238 L239 M240V194-P218 HydrophobicContact CB-CB 3.79Å; V194-P218 HydrophobicContact CG1-CB 3.78Å; V194-P218 HydrophobicContact CG1-CG 4.42Å; V194-P218 HydrophobicContact CG2-CB 4.02Å; V200-P218 HydrophobicContact CG2-CB 4.47Å; V200-P218 HydrophobicContact CG2-CG 3.76Å; P218-I220 HydrophobicContact CB-CD1 4.34Å; P218-I232 HydrophobicContact CB-CG2 3.77Å; P218-I232 HydrophobicContact CG-CG2 3.55Å; P218-S236 WeakPolarHBondContact CD-OG 3.49Å; P218-S236 WeakPolarHBondContact CG-OG 3.42Å; P218-G238 VanDerWaalsContact CD-O 3.23Å; P218-G238 WeakPolarHBondContact CD-O 3.38Å; P218-L239 HydrophobicContact CB-CD1 4.12Å; P218-L239 HydrophobicContact CG-CD1 4.42Å; P218-M240 PolarHBondContact O-N 3.49Å
219K98.6Very high97.1Very high15 Ų1541 Ų417%0.06520%0.202CC..EExtended strand (participates in β ladder)trans-95.6115.9166.6-65.3168.459.7-166.40108.2D66 A190 A191 S192 V194 F217 E221 M240D66-K219 WeakPolarHBondContact OD1-CD 3.42Å; D66-K219 IonicContact OD1-NZ 3.16Å; D66-K219 PolarHBondContact OD1-NZ 3.33Å; D66-K219 IonicContact OD2-NZ 3.3Å; A190-K219 HydrophobicContact CB-CD 4.12Å; A190-K219 HydrophobicContact CB-CG 4.29Å; A191-K219 WeakPolarHBondContact O-CB 3.29Å; A191-K219 PolarHBondContact O-N 2.96Å; S192-K219 PolarHBondContact OG-NZ 3.16Å; V194-K219 PolarHBondContact N-O 3.31Å; F217-K219 PolarHBondContact O-N 3.17Å; K219-E221 HydrophobicContact CB-CG 4.16Å; K219-E221 WeakPolarHBondContact CB-OE1 3.44Å; K219-E221 WeakPolarHBondContact CE-OE1 3.48Å; K219-E221 IonicContact NZ-OE1 2.79Å; K219-M240 WeakPolarHBondContact CA-O 3.32Å; K219-M240 HydrophobicContact CD-SD 4.02Å; K219-M240 HydrophobicContact CG-CB 3.85Å; K219-M240 HydrophobicContact CG-CG 4.13Å; K219-M240 HydrophobicContact CG-SD 3.8Å
220I97.9Very high97.1Very high0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-92.4114.4178.2-55.6-58.9000108.5P218 I226 I229 I232 L239 M240 M246 L262P218-I220 HydrophobicContact CB-CD1 4.34Å; I220-I226 HydrophobicContact CG2-CG1 3.78Å; I220-I229 HydrophobicContact CD1-CD1 4.41Å; I220-I229 HydrophobicContact CG1-CD1 4.13Å; I220-I232 HydrophobicContact CD1-CD1 3.8Å; I220-I232 HydrophobicContact CD1-CG2 4.26Å; I220-L239 HydrophobicContact CD1-CD1 4.17Å; I220-L239 HydrophobicContact CG1-CD1 3.63Å; I220-L239 HydrophobicContact CG1-CD2 4.35Å; I220-L239 HydrophobicContact CG1-CG 4.24Å; I220-M240 PolarHBondContact N-O 2.84Å; I220-M240 VanDerWaalsContact N-O 3.13Å; I220-M246 HydrophobicContact CG2-CE 4.2Å; I220-M246 WeakPolarHBondContact O-CE 3.32Å; I220-L262 HydrophobicContact CB-CD1 4.31Å; I220-L262 HydrophobicContact CG2-CD1 4.12Å
221E95.4Very high97.2Very high3 Ų336.3 Ų36.31%0.01419%0.189CC..  trans-129.4-7.1-166.6-63174.8-146.300112.5F193 K219 A242 D245 M246F193-E221 HydrophobicContact CD1-CB 4.32Å; F193-E221 WeakPolarHBondContact CD1-OE2 3.32Å; F193-E221 WeakPolarHBondContact CE1-OE2 3.21Å; F193-E221 WeakPolarHBondContact CG-OE2 3.39Å; F193-E221 WeakPolarHBondContact CZ-OE2 3.34Å; F193-E221 PolarHBondContact N-OE1 3.45Å; K219-E221 HydrophobicContact CB-CG 4.16Å; K219-E221 WeakPolarHBondContact CB-OE1 3.44Å; K219-E221 WeakPolarHBondContact CE-OE1 3.48Å; K219-E221 IonicContact NZ-OE1 2.79Å; E221-A242 HydrophobicContact CG-CB 4.08Å; E221-D245 HydrophobicContact CB-CB 3.99Å; E221-D245 HydrophobicContact CG-CB 3.85Å; E221-M246 WeakPolarHBondContact O-CA 3.36Å
222N93.7Very high97.4Very high10 Ų1027 Ų275%0.05315%0.149CC..SBendtrans-146.9177.4-179.681.3-10.4000113R195 E224 G225 I226 E249R195-N222 WeakPolarHBondContact CD-ND2 3.41Å; R195-N222 WeakPolarHBondContact CG-OD1 3.44Å; N222-E224 PolarHBondContact O-N 2.97Å; N222-E224 PolarHBondContact OD1-N 2.87Å; N222-G225 PolarHBondContact O-N 3.04Å; N222-G225 PolarHBondContact OD1-N 3.29Å; N222-I226 WeakPolarHBondContact O-CD1 3.27Å; N222-I226 VanDerWaalsContact O-CG1 3.27Å; N222-I226 WeakPolarHBondContact O-CG1 3.43Å; N222-I226 PolarHBondContact O-N 2.95Å; N222-I226 VanDerWaalsContact O-N 3.14Å; N222-E249 HydrophobicContact CB-CB 3.93Å; N222-E249 HydrophobicContact CB-CG 3.78Å
223Q94.1Very high97.4Very high68 Ų6825.8 Ų25.832%0.31814%0.139SC..Hα-helixtrans-62.6-40.3-178.1-168.861.854.400113.6G225 I226 D227 I250Q223-G225 VanDerWaalsContact C-N 3.34Å; Q223-G225 PolarHBondContact O-N 3.21Å; Q223-I226 WeakPolarHBondContact O-CB 3.3Å; Q223-I226 PolarHBondContact O-N 3.22Å; Q223-I226 VanDerWaalsContact O-N 3.13Å; Q223-D227 PolarHBondContact NE2-OD1 3.13Å; Q223-D227 VanDerWaalsContact O-CG 3.28Å; Q223-D227 PolarHBondContact O-N 2.88Å; Q223-I250 HydrophobicContact CB-CG2 4.45Å
224E95.3Very high97.6Very high15 Ų1528.3 Ų28.37%0.0715%0.148CC..Hα-helixtrans-62-41.4179.9-171.6179.6-174.900111.7R164 R195 R196 N222 D227 N228R164-E224 HydrophobicContact CG-CG 4.39Å; R195-E224 HydrophobicContact CB-CB 4.09Å; R195-E224 HydrophobicContact CB-CG 3.92Å; R195-E224 WeakPolarHBondContact CD-OE2 3.35Å; R195-E224 HydrophobicContact CG-CB 4.32Å; R195-E224 IonicContact NE-OE2 2.68Å; R196-E224 WeakPolarHBondContact CD-OE1 3.03Å; R196-E224 WeakPolarHBondContact CG-OE1 3.47Å; R196-E224 IonicContact CZ-OE1 2.96Å; R196-E224 IonicContact NE-OE1 3.37Å; R196-E224 IonicContact NH1-OE1 2.69Å; R196-E224 PolarHBondContact NH1-OE1 2.97Å; R196-E224 IonicContact NH1-OE2 3.35Å; R196-E224 PolarHBondContact NH1-OE2 3.43Å; N222-E224 PolarHBondContact O-N 2.97Å; N222-E224 PolarHBondContact OD1-N 2.87Å; E224-D227 PolarHBondContact O-N 2.57Å; E224-N228 WeakPolarHBondContact O-CB 3.44Å; E224-N228 PolarHBondContact O-N 3.44Å; E224-N228 PolarHBondContact O-ND2 3.42Å; E224-N228 VanDerWaalsContact O-ND2 3.17Å
225G96.8Very high97.6Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-67.3-33.6174.100000113.4N222 Q223 I229N222-G225 PolarHBondContact O-N 3.04Å; N222-G225 PolarHBondContact OD1-N 3.29Å; Q223-G225 VanDerWaalsContact C-N 3.34Å; Q223-G225 PolarHBondContact O-N 3.21Å; G225-I229 PolarHBondContact O-N 3.14Å
226I97.4Very high97.5Very high24 Ų2429.2 Ų29.212%0.12315%0.153CC..Hα-helixtrans-66.4-43.3174-65.8161000110.5I220 N222 Q223 I229 M246 I250 V258I220-I226 HydrophobicContact CG2-CG1 3.78Å; N222-I226 WeakPolarHBondContact O-CD1 3.27Å; N222-I226 VanDerWaalsContact O-CG1 3.27Å; N222-I226 WeakPolarHBondContact O-CG1 3.43Å; N222-I226 PolarHBondContact O-N 2.95Å; N222-I226 VanDerWaalsContact O-N 3.14Å; Q223-I226 WeakPolarHBondContact O-CB 3.3Å; Q223-I226 PolarHBondContact O-N 3.22Å; Q223-I226 VanDerWaalsContact O-N 3.13Å; I226-I229 WeakPolarHBondContact O-CB 3.49Å; I226-I229 WeakPolarHBondContact O-CG2 3.47Å; I226-M246 HydrophobicContact CD1-CE 4.4Å; I226-M246 HydrophobicContact CD1-CG 4.46Å; I226-M246 HydrophobicContact CD1-SD 4.32Å; I226-M246 HydrophobicContact CG1-CE 4.46Å; I226-I250 HydrophobicContact CD1-CD1 3.93Å; I226-I250 HydrophobicContact CD1-CG2 4.15Å; I226-V258 HydrophobicContact CD1-CG1 3.61Å; I226-V258 HydrophobicContact CD1-CG2 4.42Å; I226-V258 HydrophobicContact CG1-CG1 3.72Å; I226-V258 HydrophobicContact CG2-CG1 4.02Å
227D97.3Very high97.5Very high102 Ų10232 Ų3255%0.54517%0.169SC..Hα-helixtrans-68-38.5-178.7-68.2-12.4000111.9Q223 E224 I229Q223-D227 PolarHBondContact NE2-OD1 3.13Å; Q223-D227 VanDerWaalsContact O-CG 3.28Å; Q223-D227 PolarHBondContact O-N 2.88Å; E224-D227 PolarHBondContact O-N 2.57Å; D227-I229 VanDerWaalsContact C-N 3.34Å
228N97.7Very high97.5Very high42 Ų4232 Ų3223%0.22517%0.168CC..THydrogen-bonded Turntrans-92.415.1-178-63.8-36.4000113.8R195 E224 A230 E231 I232R195-N228 WeakPolarHBondContact O-CB 3.5Å; R195-N228 PolarHBondContact O-ND2 2.65Å; E224-N228 WeakPolarHBondContact O-CB 3.44Å; E224-N228 PolarHBondContact O-N 3.44Å; E224-N228 PolarHBondContact O-ND2 3.42Å; E224-N228 VanDerWaalsContact O-ND2 3.17Å; N228-A230 VanDerWaalsContact C-N 3.25Å; N228-A230 PolarHBondContact O-N 2.78Å; N228-E231 PolarHBondContact O-N 2.7Å; N228-I232 HydrophobicContact CB-CD1 3.93Å; N228-I232 HydrophobicContact CB-CG1 4.21Å; N228-I232 WeakPolarHBondContact O-CB 3.39Å; N228-I232 VanDerWaalsContact O-CG1 3.27Å; N228-I232 WeakPolarHBondContact O-CG1 3.29Å; N228-I232 PolarHBondContact O-N 2.98Å
229I98.5Very high97.5Very high5 Ų532 Ų323%0.02617%0.168CC..Hα-helixtrans-58.6-35.1-170.8-179.862.3000113.3I220 G225 I226 D227 L233 L239 L262I220-I229 HydrophobicContact CD1-CD1 4.41Å; I220-I229 HydrophobicContact CG1-CD1 4.13Å; G225-I229 PolarHBondContact O-N 3.14Å; I226-I229 WeakPolarHBondContact O-CB 3.49Å; I226-I229 WeakPolarHBondContact O-CG2 3.47Å; D227-I229 VanDerWaalsContact C-N 3.34Å; I229-L233 HydrophobicContact CD1-CD1 3.95Å; I229-L233 HydrophobicContact CD1-CD2 4.44Å; I229-L233 HydrophobicContact CD1-CG 3.78Å; I229-L233 HydrophobicContact CG1-CD1 3.86Å; I229-L233 HydrophobicContact CG1-CG 4.16Å; I229-L233 VanDerWaalsContact O-CB 3.25Å; I229-L233 WeakPolarHBondContact O-CB 3.03Å; I229-L233 VanDerWaalsContact O-CG 3.24Å; I229-L233 WeakPolarHBondContact O-CG 3.06Å; I229-L233 PolarHBondContact O-N 3.36Å; I229-L239 HydrophobicContact CD1-CD1 3.77Å; I229-L239 HydrophobicContact CD1-CD2 3.8Å; I229-L239 HydrophobicContact CD1-CG 4.46Å; I229-L262 HydrophobicContact CB-CD2 3.88Å; I229-L262 HydrophobicContact CD1-CD2 3.72Å; I229-L262 HydrophobicContact CG1-CD2 3.48Å; I229-L262 VanDerWaalsContact CG1-CD2 3.48Å; I229-L262 HydrophobicContact CG2-CD2 4.28Å
230A98.3Very high97.5Very high52 Ų5231.3 Ų31.343%0.4317%0.165SC..Hα-helixtrans-66.1-46.4-179.400000111.1N228 L233 E234N228-A230 VanDerWaalsContact C-N 3.25Å; N228-A230 PolarHBondContact O-N 2.78Å; A230-L233 PolarHBondContact O-N 2.92Å; A230-E234 PolarHBondContact O-N 3.45Å; A230-E234 VanDerWaalsContact O-N 3.08Å
231E98.5Very high97.6Very high101 Ų10131.3 Ų31.347%0.47217%0.165SC..Hα-helixtrans-70.2-39.7179.2-61.380.1179.400111.7P197 N228 E234P197-E231 HydrophobicContact CG-CB 3.55Å; N228-E231 PolarHBondContact O-N 2.7Å; E231-E234 WeakPolarHBondContact O-CB 3.22Å; E231-E234 PolarHBondContact O-N 3.47Å
232I98.8Very high97.6Very high0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-61.5-48.5173.8-70.6164.8000109.7V194 V200 P218 I220 N228 E234 V235 S236V194-I232 HydrophobicContact CG1-CD1 4.21Å; V194-I232 HydrophobicContact CG1-CG1 4.31Å; V194-I232 HydrophobicContact CG1-CG2 4.05Å; V200-I232 HydrophobicContact CG2-CG2 4.32Å; P218-I232 HydrophobicContact CB-CG2 3.77Å; P218-I232 HydrophobicContact CG-CG2 3.55Å; I220-I232 HydrophobicContact CD1-CD1 3.8Å; I220-I232 HydrophobicContact CD1-CG2 4.26Å; N228-I232 HydrophobicContact CB-CD1 3.93Å; N228-I232 HydrophobicContact CB-CG1 4.21Å; N228-I232 WeakPolarHBondContact O-CB 3.39Å; N228-I232 VanDerWaalsContact O-CG1 3.27Å; N228-I232 WeakPolarHBondContact O-CG1 3.29Å; N228-I232 PolarHBondContact O-N 2.98Å; I232-E234 VanDerWaalsContact C-N 3.27Å; I232-E234 PolarHBondContact O-N 3.06Å; I232-V235 WeakPolarHBondContact O-CG2 3.25Å; I232-V235 PolarHBondContact O-N 2.97Å; I232-S236 VanDerWaalsContact O-CB 3.32Å; I232-S236 WeakPolarHBondContact O-CB 3.29Å; I232-S236 PolarHBondContact O-N 3.45Å; I232-S236 PolarHBondContact O-OG 3.41Å
233L98.7Very high97.8Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-60.1-40.5179.9-79.5173.7000110.7I229 A230 V235 S236 L239 Q265 L269 K271I229-L233 HydrophobicContact CD1-CD1 3.95Å; I229-L233 HydrophobicContact CD1-CD2 4.44Å; I229-L233 HydrophobicContact CD1-CG 3.78Å; I229-L233 HydrophobicContact CG1-CD1 3.86Å; I229-L233 HydrophobicContact CG1-CG 4.16Å; I229-L233 VanDerWaalsContact O-CB 3.25Å; I229-L233 WeakPolarHBondContact O-CB 3.03Å; I229-L233 VanDerWaalsContact O-CG 3.24Å; I229-L233 WeakPolarHBondContact O-CG 3.06Å; I229-L233 PolarHBondContact O-N 3.36Å; A230-L233 PolarHBondContact O-N 2.92Å; L233-V235 VanDerWaalsContact C-N 3.27Å; L233-V235 PolarHBondContact O-N 3.34Å; L233-S236 PolarHBondContact O-N 3.01Å; L233-L239 HydrophobicContact CD2-CB 4.14Å; L233-L239 HydrophobicContact CD2-CD1 4.01Å; L233-L239 HydrophobicContact CD2-CG 4.49Å; L233-Q265 HydrophobicContact CD1-CB 3.94Å; L233-L269 HydrophobicContact CB-CD1 3.63Å; L233-L269 HydrophobicContact CD1-CD1 4.03Å; L233-L269 HydrophobicContact CG-CD1 4.4Å; L233-K271 HydrophobicContact CD2-CD 4.41Å; L233-K271 WeakPolarHBondContact O-CD 3.17Å; L233-K271 WeakPolarHBondContact O-CE 3.34Å; L233-K271 PolarHBondContact O-NZ 3.17Å
234E98.3Very high97.7Very high134 Ų13429.1 Ų29.163%0.62616%0.159SC*.Hα-helixtrans-51.1-44.4-179.5-172.657.9-159.400112.7A230 E231 I232 K271A230-E234 PolarHBondContact O-N 3.45Å; A230-E234 VanDerWaalsContact O-N 3.08Å; E231-E234 WeakPolarHBondContact O-CB 3.22Å; E231-E234 PolarHBondContact O-N 3.47Å; I232-E234 VanDerWaalsContact C-N 3.27Å; I232-E234 PolarHBondContact O-N 3.06Å; E234-K271 PolarHBondContact O-NZ 3.44Å
235V98.5Very high97.5Very high39 Ų3931.2 Ų31.224%0.23617%0.171CC..Hα-helixtrans-90.71.5-178.6-61.60000114.9P197 V200 L201 R204 I232 L233P197-V235 HydrophobicContact CB-CG2 3.9Å; V200-V235 HydrophobicContact CB-CG2 3.89Å; V200-V235 HydrophobicContact CG1-CG2 4.09Å; V200-V235 HydrophobicContact CG2-CG2 4.3Å; L201-V235 HydrophobicContact CD2-CB 4.22Å; L201-V235 HydrophobicContact CD2-CG1 4.15Å; L201-V235 HydrophobicContact CG-CB 4.49Å; L201-V235 HydrophobicContact CG-CG1 4.43Å; R204-V235 PolarHBondContact NE-O 3.47Å; R204-V235 VanDerWaalsContact NE-O 3.14Å; R204-V235 PolarHBondContact NH2-O 3.42Å; I232-V235 WeakPolarHBondContact O-CG2 3.25Å; I232-V235 PolarHBondContact O-N 2.97Å; L233-V235 VanDerWaalsContact C-N 3.27Å; L233-V235 PolarHBondContact O-N 3.34Å
236S98.6Very high97.4Very high1 Ų131.2 Ų31.21%0.00717%0.171CC..  trans-106.7163.3-174.8-59.60000113.5P218 I232 L233 K271P218-S236 WeakPolarHBondContact CD-OG 3.49Å; P218-S236 WeakPolarHBondContact CG-OG 3.42Å; I232-S236 VanDerWaalsContact O-CB 3.32Å; I232-S236 WeakPolarHBondContact O-CB 3.29Å; I232-S236 PolarHBondContact O-N 3.45Å; I232-S236 PolarHBondContact O-OG 3.41Å; L233-S236 PolarHBondContact O-N 3.01Å; S236-K271 WeakPolarHBondContact O-CD 3.26Å; S236-K271 WeakPolarHBondContact O-CE 3.39Å; S236-K271 PolarHBondContact O-NZ 3.28Å
237D98.5Very high97.2Very high60 Ų6031.2 Ų31.232%0.32118%0.176SC..SBendtrans-99.4-16.6175.1-60.1-56.2000113.5R204 S215 V216 F217 P272R204-D237 IonicContact CZ-OD2 2.72Å; R204-D237 IonicContact NH1-OD2 3.46Å; R204-D237 PolarHBondContact NH1-OD2 2.92Å; R204-D237 IonicContact NH2-OD1 2.76Å; R204-D237 PolarHBondContact NH2-OD1 3.31Å; R204-D237 IonicContact NH2-OD2 2.66Å; R204-D237 PolarHBondContact NH2-OD2 3.25Å; S215-D237 VanDerWaalsContact CA-OD2 3.24Å; S215-D237 WeakPolarHBondContact CA-OD2 3.5Å; V216-D237 PolarHBondContact N-OD2 3.4Å; V216-D237 PolarHBondContact O-N 3.47Å; F217-D237 HydrophobicContact CE2-CB 4.48Å; D237-P272 VanDerWaalsContact O-CD 3.26Å; D237-P272 WeakPolarHBondContact O-CD 3.27Å
238G98.8Very high97Very high0 Ų027.5 Ų27.50%016%0.157CC..  trans-164.5-161.5-178.700000110.8V216 P218 P272V216-G238 PolarHBondContact O-N 2.96Å; P218-G238 VanDerWaalsContact CD-O 3.23Å; P218-G238 WeakPolarHBondContact CD-O 3.38Å; G238-P272 CarbonylContact C-O 3.08Å; G238-P272 WeakPolarHBondContact CA-O 3.39Å
239L98.9Very high96.7Very high0 Ų026.5 Ų26.50%015%0.151CC..EExtended strand (participates in β ladder)trans-153.2151.1176.9-162.877000110.9P218 I220 I229 L233 V241 L262 C266 P272 V273 I274P218-L239 HydrophobicContact CB-CD1 4.12Å; P218-L239 HydrophobicContact CG-CD1 4.42Å; I220-L239 HydrophobicContact CD1-CD1 4.17Å; I220-L239 HydrophobicContact CG1-CD1 3.63Å; I220-L239 HydrophobicContact CG1-CD2 4.35Å; I220-L239 HydrophobicContact CG1-CG 4.24Å; I229-L239 HydrophobicContact CD1-CD1 3.77Å; I229-L239 HydrophobicContact CD1-CD2 3.8Å; I229-L239 HydrophobicContact CD1-CG 4.46Å; L233-L239 HydrophobicContact CD2-CB 4.14Å; L233-L239 HydrophobicContact CD2-CD1 4.01Å; L233-L239 HydrophobicContact CD2-CG 4.49Å; L239-V241 HydrophobicContact CD2-CG2 4.1Å; L239-L262 HydrophobicContact CD2-CB 4.18Å; L239-C266 WeakPolarHBondContact CB-SG 3.32Å; L239-C266 WeakPolarHBondContact CD2-SG 3.43Å; L239-P272 PolarHBondContact N-O 2.84Å; L239-V273 HydrophobicContact CB-CB 4.49Å; L239-V273 HydrophobicContact CB-CG2 4.18Å; L239-V273 HydrophobicContact CD2-CG2 4.38Å; L239-V273 CarbonylContact O-C 3.55Å; L239-V273 WeakPolarHBondContact O-CA 3.48Å; L239-I274 PolarHBondContact O-N 3.04Å
240M98.9Very high96.5Very high1 Ų126.8 Ų26.81%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-121.3129.7164.3-176.9178.5-62.100110L64 A190 P218 K219 I220 I274 A276 M309L64-M240 HydrophobicContact CD1-CE 4.31Å; L64-M240 HydrophobicContact CD2-CE 4.46Å; A190-M240 HydrophobicContact CB-CE 3.85Å; P218-M240 PolarHBondContact O-N 3.49Å; K219-M240 WeakPolarHBondContact CA-O 3.32Å; K219-M240 HydrophobicContact CD-SD 4.02Å; K219-M240 HydrophobicContact CG-CB 3.85Å; K219-M240 HydrophobicContact CG-CG 4.13Å; K219-M240 HydrophobicContact CG-SD 3.8Å; I220-M240 PolarHBondContact N-O 2.84Å; I220-M240 VanDerWaalsContact N-O 3.13Å; M240-I274 WeakPolarHBondContact CA-O 3.19Å; M240-I274 HydrophobicContact CB-CB 4.34Å; M240-I274 HydrophobicContact CE-CB 4.45Å; M240-I274 HydrophobicContact CE-CD1 3.67Å; M240-I274 HydrophobicContact CE-CG2 4.33Å; M240-I274 HydrophobicContact CG-CB 4.2Å; M240-I274 HydrophobicContact CG-CG2 4.46Å; M240-A276 HydrophobicContact CG-CB 3.63Å; M240-A276 HydrophobicContact SD-CB 3.8Å; M240-M309 HydrophobicContact CE-SD 3.7Å; M240-M309 HydrophobicContact SD-CE 4.12Å; M240-M309 HydrophobicContact SD-SD 4.01Å
241V98.7Very high96.3Very high0 Ų027.8 Ų27.80%016%0.155CC..EExtended strand (participates in β ladder)trans-100.197.3175-1770000108L239 R243 M246 Q259 L262 I263 V273 I274 A276L239-V241 HydrophobicContact CD2-CG2 4.1Å; V241-R243 HydrophobicContact CG1-CG 4.19Å; V241-R243 PolarHBondContact O-N 2.96Å; V241-M246 HydrophobicContact CG1-CE 4.08Å; V241-Q259 HydrophobicContact CG1-CB 4.3Å; V241-Q259 HydrophobicContact CG1-CG 4.33Å; V241-L262 HydrophobicContact CG1-CD1 4.15Å; V241-L262 HydrophobicContact CG2-CB 4.05Å; V241-L262 HydrophobicContact CG2-CD1 4.06Å; V241-I263 HydrophobicContact CG2-CG1 4.47Å; V241-V273 HydrophobicContact CG2-CG2 3.92Å; V241-I274 PolarHBondContact N-O 2.9Å; V241-A276 PolarHBondContact O-N 3.04Å
242A96.5Very high96.1Very high1 Ų127.6 Ų27.61%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-92.593.2-178.300000110.2E221 G244 D245 M246 T277E221-A242 HydrophobicContact CG-CB 4.08Å; A242-G244 PolarHBondContact O-N 3.02Å; A242-D245 WeakPolarHBondContact CB-OD2 3.39Å; A242-M246 WeakPolarHBondContact O-CB 3.19Å; A242-M246 PolarHBondContact O-N 3.46Å; A242-T277 HydrophobicContact CB-CG2 4.44Å
243R96.8Very high96Very high17 Ų1735 Ų356%0.06420%0.197CC..Hα-helixtrans-71.6-30-168.2-55.4173-53.2140.3-6.9113.8V241 G247 V255 A276 T277 Q278 M279 D296V241-R243 HydrophobicContact CG1-CG 4.19Å; V241-R243 PolarHBondContact O-N 2.96Å; R243-G247 PolarHBondContact O-N 3.19Å; R243-V255 HydrophobicContact CB-CG1 4.23Å; R243-V255 HydrophobicContact CG-CG1 4.49Å; R243-A276 PolarHBondContact N-O 3.49Å; R243-A276 PolarHBondContact NE-O 3.1Å; R243-T277 VanDerWaalsContact CZ-O 3.31Å; R243-T277 PolarHBondContact N-OG1 3.25Å; R243-T277 PolarHBondContact NE-O 3.2Å; R243-T277 PolarHBondContact NH2-O 3.34Å; R243-Q278 PolarHBondContact NH2-O 3.06Å; R243-M279 PolarHBondContact NH2-SD 3.36Å; R243-D296 IonicContact CZ-OD1 3.45Å; R243-D296 IonicContact CZ-OD2 2.95Å; R243-D296 IonicContact NH1-OD1 2.87Å; R243-D296 PolarHBondContact NH1-OD1 2.9Å; R243-D296 IonicContact NH1-OD2 2.7Å; R243-D296 PolarHBondContact NH1-OD2 3.08Å; R243-D296 IonicContact NH2-OD2 2.57Å; R243-D296 PolarHBondContact NH2-OD2 2.97Å
244G91.2Very high95.9Very high17 Ų1740.5 Ų40.518%0.17522%0.221CC..Hα-helixtrans-62.8-58.3175.500000110.3A242 M246 G247 T277A242-G244 PolarHBondContact O-N 3.02Å; G244-M246 VanDerWaalsContact C-N 3.35Å; G244-M246 PolarHBondContact O-N 2.83Å; G244-G247 PolarHBondContact O-N 3.27Å; G244-G247 VanDerWaalsContact O-N 3.15Å; G244-T277 PolarHBondContact N-OG1 3.45Å
245D91.9Very high95.9Very high60 Ų6034.8 Ų34.832%0.32120%0.195SC..Hα-helixtrans-61.5-44178.8-51.2-54.3000111E221 A242 G247 V248E221-D245 HydrophobicContact CB-CB 3.99Å; E221-D245 HydrophobicContact CG-CB 3.85Å; A242-D245 WeakPolarHBondContact CB-OD2 3.39Å; D245-G247 VanDerWaalsContact C-N 3.31Å; D245-G247 PolarHBondContact O-N 3.38Å; D245-V248 WeakPolarHBondContact O-CB 3.35Å; D245-V248 PolarHBondContact O-N 3.26Å; D245-V248 VanDerWaalsContact O-N 3.13Å
246M95.1Very high95.9Very high0 Ų035.8 Ų35.80%020%0.202CC..Hα-helixtrans-59-39174.9-177-177.7-63.300113.1I220 E221 I226 V241 A242 G244 V248 E249 I250 V255 V258 L262I220-M246 HydrophobicContact CG2-CE 4.2Å; I220-M246 WeakPolarHBondContact O-CE 3.32Å; E221-M246 WeakPolarHBondContact O-CA 3.36Å; I226-M246 HydrophobicContact CD1-CE 4.4Å; I226-M246 HydrophobicContact CD1-CG 4.46Å; I226-M246 HydrophobicContact CD1-SD 4.32Å; I226-M246 HydrophobicContact CG1-CE 4.46Å; V241-M246 HydrophobicContact CG1-CE 4.08Å; A242-M246 WeakPolarHBondContact O-CB 3.19Å; A242-M246 PolarHBondContact O-N 3.46Å; G244-M246 VanDerWaalsContact C-N 3.35Å; G244-M246 PolarHBondContact O-N 2.83Å; M246-V248 PolarHBondContact O-N 2.99Å; M246-E249 PolarHBondContact O-N 3.11Å; M246-E249 VanDerWaalsContact O-N 3.14Å; M246-I250 HydrophobicContact CG-CD1 3.65Å; M246-I250 HydrophobicContact CG-CG1 3.71Å; M246-I250 VanDerWaalsContact O-CG1 3.28Å; M246-I250 WeakPolarHBondContact O-CG1 3.48Å; M246-I250 PolarHBondContact O-N 3.05Å; M246-I250 HydrophobicContact SD-CD1 3.88Å; M246-V255 HydrophobicContact CG-CG2 4.39Å; M246-V255 HydrophobicContact SD-CG1 4.12Å; M246-V258 HydrophobicContact CE-CG1 4.15Å; M246-V258 HydrophobicContact SD-CB 4.27Å; M246-V258 HydrophobicContact SD-CG1 3.74Å; M246-L262 HydrophobicContact CE-CD1 3.69Å
247G94Very high95.9Very high23 Ų2340.7 Ų40.724%0.23723%0.226CC..Hα-helixtrans-68.3-11.1179.800000114.6R243 G244 D245 I250R243-G247 PolarHBondContact O-N 3.19Å; G244-G247 PolarHBondContact O-N 3.27Å; G244-G247 VanDerWaalsContact O-N 3.15Å; D245-G247 VanDerWaalsContact C-N 3.31Å; D245-G247 PolarHBondContact O-N 3.38Å; G247-I250 CarbonylContact C-O 3.53Å
248V92.7Very high95.9Very high25 Ų2539.1 Ų39.115%0.15222%0.219CC..Hα-helixtrans-82.3-41.6170.3-1760000110.6L122 D125 N159 D245 M246L122-V248 HydrophobicContact CD2-CG1 4.15Å; L122-V248 WeakPolarHBondContact CD2-O 3.48Å; D125-V248 HydrophobicContact CB-CG2 4.28Å; N159-V248 HydrophobicContact CB-CG1 3.89Å; D245-V248 WeakPolarHBondContact O-CB 3.35Å; D245-V248 PolarHBondContact O-N 3.26Å; D245-V248 VanDerWaalsContact O-N 3.13Å; M246-V248 PolarHBondContact O-N 2.99Å
249E91.3Very high95.9Very high21 Ų2139.5 Ų39.510%0.09822%0.22CC..Hα-helixtrans-87.1-24.7-174.2-70.7-77.9171.700113.8N159 L160 P161 N222 M246N159-E249 WeakPolarHBondContact CA-OE1 3.32Å; N159-E249 VanDerWaalsContact CB-OE1 3.22Å; N159-E249 WeakPolarHBondContact CB-OE1 3.28Å; N159-E249 PolarHBondContact ND2-OE1 3.35Å; L160-E249 PolarHBondContact N-OE1 2.64Å; P161-E249 WeakPolarHBondContact CA-OE2 3.45Å; N222-E249 HydrophobicContact CB-CB 3.93Å; N222-E249 HydrophobicContact CB-CG 3.78Å; M246-E249 PolarHBondContact O-N 3.11Å; M246-E249 VanDerWaalsContact O-N 3.14Å
250I93.8Very high95.9Very high10 Ų1043.5 Ų43.55%0.05124%0.238CC..SBendtrans-128151.9175.169.5167.4000111.2Q223 I226 M246 G247 V255 V258Q223-I250 HydrophobicContact CB-CG2 4.45Å; I226-I250 HydrophobicContact CD1-CD1 3.93Å; I226-I250 HydrophobicContact CD1-CG2 4.15Å; M246-I250 HydrophobicContact CG-CD1 3.65Å; M246-I250 HydrophobicContact CG-CG1 3.71Å; M246-I250 VanDerWaalsContact O-CG1 3.28Å; M246-I250 WeakPolarHBondContact O-CG1 3.48Å; M246-I250 PolarHBondContact O-N 3.05Å; M246-I250 HydrophobicContact SD-CD1 3.88Å; G247-I250 CarbonylContact C-O 3.53Å; I250-V255 HydrophobicContact CD1-CG2 3.89Å; I250-V255 HydrophobicContact CG1-CG2 3.75Å; I250-V258 HydrophobicContact CD1-CB 4.23Å; I250-V258 HydrophobicContact CD1-CG1 4.48Å; I250-V258 HydrophobicContact CD1-CG2 3.79Å
251P93.7Very high95.9Very high74 Ų7446.7 Ų46.748%0.48126%0.255SS..  trans-54.7132.4180-27.735.5000112.5E253 K254 V255P251-E253 HydrophobicContact CB-CG 3.92Å; P251-E253 PolarHBondContact O-N 2.76Å; P251-E253 VanDerWaalsContact O-N 3.07Å; P251-K254 HydrophobicContact CB-CG 4.4Å; P251-K254 WeakPolarHBondContact O-CA 3.3Å; P251-K254 WeakPolarHBondContact O-CB 3.49Å; P251-K254 PolarHBondContact O-N 2.92Å; P251-V255 PolarHBondContact O-N 2.84Å
252P94.6Very high95.9Very high96 Ų9646.8 Ų46.862%0.62326%0.255SS*.THydrogen-bonded Turntrans-54.4-32.3-179.1-30.435.7000114.2K254 V255 P256P252-K254 PolarHBondContact O-N 2.82Å; P252-V255 PolarHBondContact O-N 2.88Å; P252-P256 WeakPolarHBondContact O-CD 3.47Å
253E97.2Very high96Very high155 Ų15546.7 Ų46.772%0.72426%0.255SS*.THydrogen-bonded Turntrans-64.7-19.7175.159.4-172-133.100114.1P251 M257P251-E253 HydrophobicContact CB-CG 3.92Å; P251-E253 PolarHBondContact O-N 2.76Å; P251-E253 VanDerWaalsContact O-N 3.07Å; E253-M257 WeakPolarHBondContact O-CE 3.2Å
254K97.3Very high96.1Very high117 Ų11752.4 Ų52.451%0.50928%0.277SS..THydrogen-bonded Turntrans-94.1-26.9177.3-69.9-70.5-177.51750113.8P251 P252 P256 M257 V258P251-K254 HydrophobicContact CB-CG 4.4Å; P251-K254 WeakPolarHBondContact O-CA 3.3Å; P251-K254 WeakPolarHBondContact O-CB 3.49Å; P251-K254 PolarHBondContact O-N 2.92Å; P252-K254 PolarHBondContact O-N 2.82Å; K254-P256 VanDerWaalsContact C-CD 3.46Å; K254-P256 VanDerWaalsContact C-N 3.35Å; K254-M257 HydrophobicContact CD-CE 3.96Å; K254-M257 PolarHBondContact O-N 3.25Å; K254-M257 VanDerWaalsContact O-N 3.09Å; K254-V258 PolarHBondContact O-N 2.76Å
255V97.9Very high96.5Very high14 Ų1453.9 Ų53.99%0.08528%0.279CS..Hα-helixtrans-50.7-44.2-176177.40000113.1R243 M246 I250 P251 P252 M257 V258 Q259R243-V255 HydrophobicContact CB-CG1 4.23Å; R243-V255 HydrophobicContact CG-CG1 4.49Å; M246-V255 HydrophobicContact CG-CG2 4.39Å; M246-V255 HydrophobicContact SD-CG1 4.12Å; I250-V255 HydrophobicContact CD1-CG2 3.89Å; I250-V255 HydrophobicContact CG1-CG2 3.75Å; P251-V255 PolarHBondContact O-N 2.84Å; P252-V255 PolarHBondContact O-N 2.88Å; V255-M257 VanDerWaalsContact C-N 3.32Å; V255-M257 PolarHBondContact O-N 3.03Å; V255-V258 PolarHBondContact O-N 3.45Å; V255-Q259 WeakPolarHBondContact O-CB 3.4Å; V255-Q259 PolarHBondContact O-N 2.89Å
256P98.5Very high96.8Very high60 Ų6051 Ų5139%0.3926%0.263SS..Hα-helixtrans-62.2-35.4-179.1-25.235.6000114P252 K254 K260P252-P256 WeakPolarHBondContact O-CD 3.47Å; K254-P256 VanDerWaalsContact C-CD 3.46Å; K254-P256 VanDerWaalsContact C-N 3.35Å; P256-K260 VanDerWaalsContact O-CG 3.29Å; P256-K260 WeakPolarHBondContact O-CG 3.31Å; P256-K260 PolarHBondContact O-N 3.18Å
257M98.5Very high96.9Very high104 Ų10451.1 Ų51.151%0.51226%0.264SS..Hα-helixtrans-73.4-38.1178.1-70.978.776.200111.5E253 K254 V255 K260 D261E253-M257 WeakPolarHBondContact O-CE 3.2Å; K254-M257 HydrophobicContact CD-CE 3.96Å; K254-M257 PolarHBondContact O-N 3.25Å; K254-M257 VanDerWaalsContact O-N 3.09Å; V255-M257 VanDerWaalsContact C-N 3.32Å; V255-M257 PolarHBondContact O-N 3.03Å; M257-K260 PolarHBondContact O-N 3.11Å; M257-D261 PolarHBondContact O-N 3.22Å; M257-D261 VanDerWaalsContact O-N 3.14Å
258V98.4Very high97.1Very high26 Ų2655.2 Ų55.216%0.15828%0.275CS..Hα-helixtrans-64.1-48174.8174.30000110.4I226 M246 I250 K254 V255 K260 D261 L262I226-V258 HydrophobicContact CD1-CG1 3.61Å; I226-V258 HydrophobicContact CD1-CG2 4.42Å; I226-V258 HydrophobicContact CG1-CG1 3.72Å; I226-V258 HydrophobicContact CG2-CG1 4.02Å; M246-V258 HydrophobicContact CE-CG1 4.15Å; M246-V258 HydrophobicContact SD-CB 4.27Å; M246-V258 HydrophobicContact SD-CG1 3.74Å; I250-V258 HydrophobicContact CD1-CB 4.23Å; I250-V258 HydrophobicContact CD1-CG1 4.48Å; I250-V258 HydrophobicContact CD1-CG2 3.79Å; K254-V258 PolarHBondContact O-N 2.76Å; V255-V258 PolarHBondContact O-N 3.45Å; V258-K260 VanDerWaalsContact C-N 3.3Å; V258-K260 PolarHBondContact O-N 2.85Å; V258-D261 PolarHBondContact O-N 2.87Å; V258-D261 VanDerWaalsContact O-N 3.1Å; V258-L262 HydrophobicContact CG1-CD1 3.78Å; V258-L262 HydrophobicContact CG1-CG 3.99Å; V258-L262 WeakPolarHBondContact O-CG 3.4Å; V258-L262 PolarHBondContact O-N 2.89Å
259Q98.7Very high97.3Very high8 Ų857.1 Ų57.14%0.03728%0.284CS..Hα-helixtrans-51.8-49.1175.4171.8-175.2-54.600111.7V241 V255 D261 L262 I263 D303V241-Q259 HydrophobicContact CG1-CB 4.3Å; V241-Q259 HydrophobicContact CG1-CG 4.33Å; V255-Q259 WeakPolarHBondContact O-CB 3.4Å; V255-Q259 PolarHBondContact O-N 2.89Å; Q259-D261 VanDerWaalsContact C-N 3.31Å; Q259-D261 PolarHBondContact O-N 3.49Å; Q259-L262 PolarHBondContact O-N 2.81Å; Q259-I263 HydrophobicContact CG-CD1 3.65Å; Q259-I263 HydrophobicContact CG-CG1 4.46Å; Q259-I263 WeakPolarHBondContact O-CB 3.43Å; Q259-I263 VanDerWaalsContact O-CG1 3.28Å; Q259-I263 WeakPolarHBondContact O-CG1 3.34Å; Q259-I263 PolarHBondContact O-N 2.84Å; Q259-D303 PolarHBondContact NE2-OD2 2.96Å
260K98.8Very high97.6Very high84 Ų8456.7 Ų56.737%0.36529%0.286SS..Hα-helixtrans-57.2-45.6179-76.6177.5-162.7-450111.6P256 M257 V258 R264 D303P256-K260 VanDerWaalsContact O-CG 3.29Å; P256-K260 WeakPolarHBondContact O-CG 3.31Å; P256-K260 PolarHBondContact O-N 3.18Å; M257-K260 PolarHBondContact O-N 3.11Å; V258-K260 VanDerWaalsContact C-N 3.3Å; V258-K260 PolarHBondContact O-N 2.85Å; K260-R264 VanDerWaalsContact O-CB 3.25Å; K260-R264 WeakPolarHBondContact O-CB 3.35Å; K260-R264 PolarHBondContact O-N 2.81Å; K260-D303 HydrophobicContact CG-CB 4.38Å; K260-D303 VanDerWaalsContact CG-CG 3.45Å; K260-D303 WeakPolarHBondContact CG-OD1 3.36Å; K260-D303 VanDerWaalsContact CG-OD2 3.3Å; K260-D303 WeakPolarHBondContact CG-OD2 3.22Å; K260-D303 IonicContact NZ-OD1 3.38Å; K260-D303 PolarHBondContact NZ-OD1 2.8Å; K260-D303 IonicContact NZ-OD2 3.86Å; K260-D303 PolarHBondContact NZ-OD2 3.47Å
261D98.6Very high97.8Very high69 Ų6958.1 Ų58.137%0.36929%0.292SS..Hα-helixtrans-71.5-43.9-178.2-165.161.5000112.3M257 V258 Q259 I263 R264 Q265M257-D261 PolarHBondContact O-N 3.22Å; M257-D261 VanDerWaalsContact O-N 3.14Å; V258-D261 PolarHBondContact O-N 2.87Å; V258-D261 VanDerWaalsContact O-N 3.1Å; Q259-D261 VanDerWaalsContact C-N 3.31Å; Q259-D261 PolarHBondContact O-N 3.49Å; D261-I263 PolarHBondContact O-N 2.86Å; D261-R264 CarbonylContact O-C 3.49Å; D261-R264 WeakPolarHBondContact O-CA 3.13Å; D261-R264 WeakPolarHBondContact O-CB 3.45Å; D261-R264 PolarHBondContact O-N 3.45Å; D261-R264 VanDerWaalsContact O-N 3.08Å; D261-Q265 WeakPolarHBondContact O-CG 3.22Å; D261-Q265 PolarHBondContact O-N 3.37Å; D261-Q265 PolarHBondContact OD2-NE2 2.66Å
262L98.8Very high98Very high1 Ų154.8 Ų54.81%0.00527%0.27CS..Hα-helixtrans-57.2-47.9175.4-66.8179.2000111.8I220 I229 L239 V241 M246 V258 Q259 R264 Q265 C266I220-L262 HydrophobicContact CB-CD1 4.31Å; I220-L262 HydrophobicContact CG2-CD1 4.12Å; I229-L262 HydrophobicContact CB-CD2 3.88Å; I229-L262 HydrophobicContact CD1-CD2 3.72Å; I229-L262 HydrophobicContact CG1-CD2 3.48Å; I229-L262 VanDerWaalsContact CG1-CD2 3.48Å; I229-L262 HydrophobicContact CG2-CD2 4.28Å; L239-L262 HydrophobicContact CD2-CB 4.18Å; V241-L262 HydrophobicContact CG1-CD1 4.15Å; V241-L262 HydrophobicContact CG2-CB 4.05Å; V241-L262 HydrophobicContact CG2-CD1 4.06Å; M246-L262 HydrophobicContact CE-CD1 3.69Å; V258-L262 HydrophobicContact CG1-CD1 3.78Å; V258-L262 HydrophobicContact CG1-CG 3.99Å; V258-L262 WeakPolarHBondContact O-CG 3.4Å; V258-L262 PolarHBondContact O-N 2.89Å; Q259-L262 PolarHBondContact O-N 2.81Å; L262-R264 VanDerWaalsContact C-N 3.31Å; L262-R264 PolarHBondContact O-N 2.91Å; L262-Q265 PolarHBondContact O-N 2.83Å; L262-C266 PolarHBondContact O-N 2.85Å; L262-C266 PolarHBondContact O-SG 2.95Å
263I98.8Very high98.2Very high0 Ų050.2 Ų50.20%024%0.24CC..Hα-helixtrans-62-41176.2-69.6170.6000110.5V241 Q259 D261 Q265 C266 N267 V273 D303V241-I263 HydrophobicContact CG2-CG1 4.47Å; Q259-I263 HydrophobicContact CG-CD1 3.65Å; Q259-I263 HydrophobicContact CG-CG1 4.46Å; Q259-I263 WeakPolarHBondContact O-CB 3.43Å; Q259-I263 VanDerWaalsContact O-CG1 3.28Å; Q259-I263 WeakPolarHBondContact O-CG1 3.34Å; Q259-I263 PolarHBondContact O-N 2.84Å; D261-I263 PolarHBondContact O-N 2.86Å; I263-Q265 PolarHBondContact O-N 3.4Å; I263-C266 PolarHBondContact O-N 2.71Å; I263-N267 VanDerWaalsContact CG2-ND2 3.35Å; I263-N267 WeakPolarHBondContact CG2-ND2 3.44Å; I263-N267 WeakPolarHBondContact O-CB 3.39Å; I263-N267 VanDerWaalsContact O-CG 3.24Å; I263-N267 PolarHBondContact O-N 3.44Å; I263-N267 PolarHBondContact O-ND2 3.4Å; I263-V273 HydrophobicContact CB-CG1 4.35Å; I263-V273 HydrophobicContact CG1-CG1 4.12Å; I263-V273 HydrophobicContact CG1-CG2 3.94Å; I263-V273 HydrophobicContact CG2-CG1 4.01Å; I263-D303 HydrophobicContact CD1-CB 3.87Å; I263-D303 HydrophobicContact CG2-CB 4.34Å; I263-D303 WeakPolarHBondContact CG2-O 3.38Å
264R98.6Very high98.3Very high137 Ų13742.9 Ų42.952%0.51721%0.206SC..Hα-helixtrans-62.3-42177.1-178.1178.4-172.9-117.30.4112K260 D261 L262 N267 K268 L350K260-R264 VanDerWaalsContact O-CB 3.25Å; K260-R264 WeakPolarHBondContact O-CB 3.35Å; K260-R264 PolarHBondContact O-N 2.81Å; D261-R264 CarbonylContact O-C 3.49Å; D261-R264 WeakPolarHBondContact O-CA 3.13Å; D261-R264 WeakPolarHBondContact O-CB 3.45Å; D261-R264 PolarHBondContact O-N 3.45Å; D261-R264 VanDerWaalsContact O-N 3.08Å; L262-R264 VanDerWaalsContact C-N 3.31Å; L262-R264 PolarHBondContact O-N 2.91Å; R264-N267 PolarHBondContact O-N 2.95Å; R264-K268 PolarHBondContact O-N 2.84Å; R264-L350 HydrophobicContact CG-CD1 4.12Å; R264-L350 HydrophobicContact CG-CD2 4.09Å
265Q98.6Very high98.4Very high47 Ų4737.3 Ų37.322%0.2218%0.182CC..Hα-helixtrans-66.7-39.9178-68.2-167.158.500112.1L233 D261 L262 I263 N267 K268 L269L233-Q265 HydrophobicContact CD1-CB 3.94Å; D261-Q265 WeakPolarHBondContact O-CG 3.22Å; D261-Q265 PolarHBondContact O-N 3.37Å; D261-Q265 PolarHBondContact OD2-NE2 2.66Å; L262-Q265 PolarHBondContact O-N 2.83Å; I263-Q265 PolarHBondContact O-N 3.4Å; Q265-N267 PolarHBondContact O-N 3.36Å; Q265-K268 WeakPolarHBondContact O-CB 3.39Å; Q265-K268 PolarHBondContact O-N 3.42Å; Q265-L269 PolarHBondContact O-N 2.92Å
266C98.7Very high98.4Very high0 Ų036.6 Ų36.60%018%0.178CC..Hα-helixtrans-58.8-48.6171.3-65.80000111.8L239 L262 I263 K268 L269 G270 K271 V273L239-C266 WeakPolarHBondContact CB-SG 3.32Å; L239-C266 WeakPolarHBondContact CD2-SG 3.43Å; L262-C266 PolarHBondContact O-N 2.85Å; L262-C266 PolarHBondContact O-SG 2.95Å; I263-C266 PolarHBondContact O-N 2.71Å; C266-K268 VanDerWaalsContact C-N 3.29Å; C266-K268 PolarHBondContact O-N 3.02Å; C266-L269 PolarHBondContact O-N 3.05Å; C266-L269 VanDerWaalsContact O-N 3.16Å; C266-G270 PolarHBondContact O-N 3.22Å; C266-K271 WeakPolarHBondContact CB-O 3.46Å; C266-K271 PolarHBondContact O-N 3.27Å; C266-V273 HydrophobicContact CB-CB 3.82Å; C266-V273 HydrophobicContact CB-CG1 4.1Å; C266-V273 HydrophobicContact CB-CG2 4.5Å
267N98.3Very high98.1Very high2 Ų235 Ų351%0.01117%0.166CC..Hα-helixtrans-61.9-34.5178.7-75.7-48.3000113.2I263 R264 Q265 L269 G270 G304 R347 R392I263-N267 VanDerWaalsContact CG2-ND2 3.35Å; I263-N267 WeakPolarHBondContact CG2-ND2 3.44Å; I263-N267 WeakPolarHBondContact O-CB 3.39Å; I263-N267 VanDerWaalsContact O-CG 3.24Å; I263-N267 PolarHBondContact O-N 3.44Å; I263-N267 PolarHBondContact O-ND2 3.4Å; R264-N267 PolarHBondContact O-N 2.95Å; Q265-N267 PolarHBondContact O-N 3.36Å; N267-L269 VanDerWaalsContact C-N 3.32Å; N267-L269 PolarHBondContact O-N 3.42Å; N267-G270 PolarHBondContact O-N 3.08Å; N267-G304 PolarHBondContact ND2-O 2.9Å; N267-G304 PolarHBondContact OD1-O 3.09Å; N267-R347 PolarHBondContact ND2-NH2 3.3Å; N267-R347 VanDerWaalsContact ND2-NH2 3.11Å; N267-R392 PolarHBondContact OD1-NH2 3.07Å
268K97.5Very high97.9Very high109 Ų10935.1 Ų35.147%0.47417%0.166SC..Hα-helixtrans-59.6-43.7175.1-179.8-179177.5-167.90111.3R264 Q265 C266 L350R264-K268 PolarHBondContact O-N 2.84Å; Q265-K268 WeakPolarHBondContact O-CB 3.39Å; Q265-K268 PolarHBondContact O-N 3.42Å; C266-K268 VanDerWaalsContact C-N 3.29Å; C266-K268 PolarHBondContact O-N 3.02Å; K268-L350 HydrophobicContact CB-CD1 4.32Å; K268-L350 HydrophobicContact CB-CD2 4.18Å; K268-L350 HydrophobicContact CB-CG 3.95Å; K268-L350 HydrophobicContact CG-CD1 4.48Å; K268-L350 HydrophobicContact CG-CG 4.23Å
269L96.6Very high97.9Very high65 Ų6533.9 Ų33.934%0.3416%0.158SC..Hα-helixtrans-83-21.8179.1-60.1174.8000112.2L233 Q265 C266 N267 K271 K390L233-L269 HydrophobicContact CB-CD1 3.63Å; L233-L269 HydrophobicContact CD1-CD1 4.03Å; L233-L269 HydrophobicContact CG-CD1 4.4Å; Q265-L269 PolarHBondContact O-N 2.92Å; C266-L269 PolarHBondContact O-N 3.05Å; C266-L269 VanDerWaalsContact O-N 3.16Å; N267-L269 VanDerWaalsContact C-N 3.32Å; N267-L269 PolarHBondContact O-N 3.42Å; L269-K271 HydrophobicContact CB-CD 4.44Å; L269-K271 HydrophobicContact CB-CG 4Å; L269-K271 HydrophobicContact CD1-CD 4.5Å; L269-K390 PolarHBondContact O-NZ 3.14Å
270G96.9Very high97.9Very high13 Ų1333.5 Ų33.513%0.13416%0.157CC..THydrogen-bonded Turntrans76.829.1-172.900000112.9C266 N267C266-G270 PolarHBondContact O-N 3.22Å; N267-G270 PolarHBondContact O-N 3.08Å
271K98.3Very high97.9Very high40 Ų4032.2 Ų32.217%0.17415%0.154CC..  trans-90.3130.4173.2-61-165.9178.1-162.60108.4L233 E234 S236 C266 L269L233-K271 HydrophobicContact CD2-CD 4.41Å; L233-K271 WeakPolarHBondContact O-CD 3.17Å; L233-K271 WeakPolarHBondContact O-CE 3.34Å; L233-K271 PolarHBondContact O-NZ 3.17Å; E234-K271 PolarHBondContact O-NZ 3.44Å; S236-K271 WeakPolarHBondContact O-CD 3.26Å; S236-K271 WeakPolarHBondContact O-CE 3.39Å; S236-K271 PolarHBondContact O-NZ 3.28Å; C266-K271 WeakPolarHBondContact CB-O 3.46Å; C266-K271 PolarHBondContact O-N 3.27Å; L269-K271 HydrophobicContact CB-CD 4.44Å; L269-K271 HydrophobicContact CB-CG 4Å; L269-K271 HydrophobicContact CD1-CD 4.5Å
272P98.8Very high97.8Very high4 Ų430.2 Ų30.23%0.02615%0.145CC..  trans-64.1140.1-177.5-21.534.5000111.5F217 D237 G238 L239 D306 I412 V413F217-P272 HydrophobicContact CE1-CB 4.15Å; F217-P272 WeakPolarHBondContact CE1-O 3.43Å; F217-P272 HydrophobicContact CZ-CB 4.03Å; F217-P272 HydrophobicContact CZ-CG 4.36Å; D237-P272 VanDerWaalsContact O-CD 3.26Å; D237-P272 WeakPolarHBondContact O-CD 3.27Å; G238-P272 CarbonylContact C-O 3.08Å; G238-P272 WeakPolarHBondContact CA-O 3.39Å; L239-P272 PolarHBondContact N-O 2.84Å; P272-D306 HydrophobicContact CB-CB 4.13Å; P272-I412 HydrophobicContact CB-CG2 4.04Å; P272-I412 HydrophobicContact CG-CG2 4.25Å; P272-V413 HydrophobicContact CG-CG2 3.89Å
273V98.9Very high97.8Very high0 Ų030.2 Ų30.20%015%0.145CC..EExtended strand (participates in β ladder)trans-120.4137.4177.461.20000111.7L239 V241 I263 C266 T305 D306 A307L239-V273 HydrophobicContact CB-CB 4.49Å; L239-V273 HydrophobicContact CB-CG2 4.18Å; L239-V273 HydrophobicContact CD2-CG2 4.38Å; L239-V273 CarbonylContact O-C 3.55Å; L239-V273 WeakPolarHBondContact O-CA 3.48Å; V241-V273 HydrophobicContact CG2-CG2 3.92Å; I263-V273 HydrophobicContact CB-CG1 4.35Å; I263-V273 HydrophobicContact CG1-CG1 4.12Å; I263-V273 HydrophobicContact CG1-CG2 3.94Å; I263-V273 HydrophobicContact CG2-CG1 4.01Å; C266-V273 HydrophobicContact CB-CB 3.82Å; C266-V273 HydrophobicContact CB-CG1 4.1Å; C266-V273 HydrophobicContact CB-CG2 4.5Å; V273-T305 PolarHBondContact O-OG1 3.21Å; V273-D306 PolarHBondContact N-OD2 2.91Å; V273-D306 PolarHBondContact O-N 3.42Å; V273-D306 VanDerWaalsContact O-N 3.08Å; V273-A307 PolarHBondContact O-N 2.72Å
274I98.9Very high97.8Very high0 Ų033.4 Ų33.40%016%0.16CC..EExtended strand (participates in β ladder)trans-106.9123.3176.1-50.2168.9000108.5V7 L64 F217 L239 M240 V241 A307 M309 I412V7-I274 HydrophobicContact CG2-CG2 4.21Å; L64-I274 HydrophobicContact CD1-CD1 3.82Å; F217-I274 HydrophobicContact CD1-CD1 3.77Å; F217-I274 HydrophobicContact CD1-CG1 4.14Å; F217-I274 HydrophobicContact CE1-CD1 4.05Å; F217-I274 HydrophobicContact CE1-CG1 4.12Å; L239-I274 PolarHBondContact O-N 3.04Å; M240-I274 WeakPolarHBondContact CA-O 3.19Å; M240-I274 HydrophobicContact CB-CB 4.34Å; M240-I274 HydrophobicContact CE-CB 4.45Å; M240-I274 HydrophobicContact CE-CD1 3.67Å; M240-I274 HydrophobicContact CE-CG2 4.33Å; M240-I274 HydrophobicContact CG-CB 4.2Å; M240-I274 HydrophobicContact CG-CG2 4.46Å; V241-I274 PolarHBondContact N-O 2.9Å; I274-A307 WeakPolarHBondContact CA-O 3.3Å; I274-A307 HydrophobicContact CG1-CB 4.26Å; I274-A307 HydrophobicContact CG2-CB 4.5Å; I274-M309 HydrophobicContact CG2-CB 3.77Å; I274-M309 HydrophobicContact CG2-SD 4.47Å; I274-I412 HydrophobicContact CD1-CD1 3.51Å; I274-I412 HydrophobicContact CG1-CD1 3.76Å; I274-I412 HydrophobicContact CG1-CG1 4.44Å
275T98.9Very high97.8Very high0 Ų036.5 Ų36.50%017%0.172CC..EExtended strand (participates in β ladder)trans-88.5121167.1-52.40000109.3M279 A300 T305 A307 M309T275-M279 HydrophobicContact CG2-CE 4.44Å; T275-M279 HydrophobicContact CG2-SD 4.15Å; T275-A300 HydrophobicContact CG2-CB 3.84Å; T275-T305 PolarHBondContact N-OG1 3.49Å; T275-T305 WeakPolarHBondContact OG1-CB 3.38Å; T275-T305 PolarHBondContact OG1-OG1 3.38Å; T275-A307 PolarHBondContact N-O 3.41Å; T275-M309 PolarHBondContact O-N 2.93Å
276A97.8Very high97.8Very high0 Ų038.1 Ų38.10%018%0.182CC..EExtended strand (participates in β ladder)trans-125.8159.9-166.900000113.1M240 V241 R243 M309M240-A276 HydrophobicContact CG-CB 3.63Å; M240-A276 HydrophobicContact SD-CB 3.8Å; V241-A276 PolarHBondContact O-N 3.04Å; R243-A276 PolarHBondContact N-O 3.49Å; R243-A276 PolarHBondContact NE-O 3.1Å; A276-M309 HydrophobicContact CB-CB 4.23Å; A276-M309 HydrophobicContact CB-CE 3.48Å; A276-M309 VanDerWaalsContact CB-CE 3.48Å; A276-M309 HydrophobicContact CB-SD 4.09Å
277T93.6Very high97.8Very high25 Ų2541.7 Ų41.715%0.15321%0.205CC..SBendtrans61.5154.5178.267.90000114.3A242 R243 G244 M279A242-T277 HydrophobicContact CB-CG2 4.44Å; R243-T277 VanDerWaalsContact CZ-O 3.31Å; R243-T277 PolarHBondContact N-OG1 3.25Å; R243-T277 PolarHBondContact NE-O 3.2Å; R243-T277 PolarHBondContact NH2-O 3.34Å; G244-T277 PolarHBondContact N-OG1 3.45Å; T277-M279 PolarHBondContact O-N 3.13Å; T277-M279 VanDerWaalsContact O-N 3.11Å
278Q94.3Very high97.8Very high107 Ų10751.1 Ų51.150%0.524%0.241SC..SBendtrans54.230.6175.9-61.8-177.1-7.600115.3R243 D281R243-Q278 PolarHBondContact NH2-O 3.06Å; Q278-D281 WeakPolarHBondContact CA-OD2 3.48Å
279M97.9Very high97.8Very high0 Ų046.9 Ų46.90%023%0.226CC..SBendtrans-83.3-65.8-174.4-67.1-64.5-8600111.2R243 T275 T277 E293 V297 A300 V308 M309 M327R243-M279 PolarHBondContact NH2-SD 3.36Å; T275-M279 HydrophobicContact CG2-CE 4.44Å; T275-M279 HydrophobicContact CG2-SD 4.15Å; T277-M279 PolarHBondContact O-N 3.13Å; T277-M279 VanDerWaalsContact O-N 3.11Å; M279-E293 WeakPolarHBondContact O-CB 3.34Å; M279-E293 WeakPolarHBondContact O-CG 3.41Å; M279-V297 HydrophobicContact CB-CG2 4.32Å; M279-V297 HydrophobicContact CE-CB 4.32Å; M279-V297 HydrophobicContact CE-CG1 4.32Å; M279-V297 HydrophobicContact CE-CG2 3.82Å; M279-V297 HydrophobicContact SD-CG2 4.42Å; M279-A300 HydrophobicContact CE-CB 4.43Å; M279-V308 HydrophobicContact CE-CB 3.64Å; M279-V308 HydrophobicContact CE-CG1 3.52Å; M279-M309 VanDerWaalsContact CG-O 3.28Å; M279-M309 WeakPolarHBondContact CG-O 3.5Å; M279-M327 HydrophobicContact CB-CE 3.93Å; M279-M327 HydrophobicContact CE-CE 4.27Å; M279-M327 HydrophobicContact CG-CE 4.49Å
280L98.5Very high97.9Very high0 Ų046.9 Ų46.90%023%0.229CC..SBendtrans-126.734.3179.4-57.6-176.3000110.5S282 M283 A289 E293 V297 L310 E313 T326 M327 I330L280-S282 PolarHBondContact O-N 2.86Å; L280-M283 HydrophobicContact CB-CB 4.43Å; L280-M283 HydrophobicContact CB-CG 4.13Å; L280-M283 HydrophobicContact CB-SD 4.22Å; L280-M283 HydrophobicContact CD1-SD 3.97Å; L280-M283 WeakPolarHBondContact O-CA 3.46Å; L280-M283 WeakPolarHBondContact O-CB 3.27Å; L280-M283 PolarHBondContact O-N 2.87Å; L280-A289 HydrophobicContact CD2-CB 3.76Å; L280-E293 HydrophobicContact CD2-CB 3.95Å; L280-V297 HydrophobicContact CD2-CG2 3.71Å; L280-V297 HydrophobicContact CG-CG2 4.28Å; L280-L310 HydrophobicContact CB-CD2 4.1Å; L280-L310 HydrophobicContact CD1-CD2 4.11Å; L280-L310 HydrophobicContact CG-CD2 4.18Å; L280-E313 WeakPolarHBondContact CA-OE1 3.43Å; L280-E313 HydrophobicContact CB-CG 4.25Å; L280-E313 PolarHBondContact N-OE1 3.28Å; L280-E313 VanDerWaalsContact O-CG 3.25Å; L280-E313 WeakPolarHBondContact O-CG 3.19Å; L280-T326 HydrophobicContact CD1-CG2 4.13Å; L280-M327 HydrophobicContact CD1-CB 4.17Å; L280-M327 HydrophobicContact CD1-CE 4.01Å; L280-M327 HydrophobicContact CG-CE 3.98Å; L280-I330 HydrophobicContact CD2-CD1 4.06Å
281D97.7Very high97.9Very high57 Ų5757.4 Ų57.431%0.30526%0.264SS..G310 helixtrans-49.3-36-169.6-78.72.3000114.3Q278 M283 Q284 E293 E313Q278-D281 WeakPolarHBondContact CA-OD2 3.48Å; D281-M283 PolarHBondContact O-N 3.1Å; D281-M283 VanDerWaalsContact O-N 3.11Å; D281-Q284 WeakPolarHBondContact O-CB 3.49Å; D281-Q284 WeakPolarHBondContact O-CG 3.42Å; D281-Q284 PolarHBondContact O-N 3.3Å; D281-E293 PolarHBondContact N-OE1 3.4Å; D281-E313 PolarHBondContact N-OE1 3Å
282S98.3Very high97.9Very high28 Ų2859 Ų5920%0.19629%0.285CS..G310 helixtrans-59.7-23.1176.9790000113.1L280 Q284 R285 N286 E293L280-S282 PolarHBondContact O-N 2.86Å; S282-Q284 PolarHBondContact O-N 2.79Å; S282-R285 PolarHBondContact O-N 3.33Å; S282-R285 VanDerWaalsContact O-N 3.14Å; S282-N286 WeakPolarHBondContact O-CB 3.16Å; S282-N286 PolarHBondContact O-N 3.39Å; S282-N286 PolarHBondContact O-ND2 3.04Å; S282-E293 WeakPolarHBondContact CB-OE1 3.36Å; S282-E293 PolarHBondContact N-OE1 3.08Å; S282-E293 VanDerWaalsContact OG-CD 3.23Å; S282-E293 PolarHBondContact OG-OE1 3.41Å; S282-E293 PolarHBondContact OG-OE2 3.46Å
283M98.6Very high97.9Very high0 Ų059.9 Ų59.90%029%0.289CS..G310 helixtrans-74.2-7.1177.7-62.2-160.764.100114L280 D281 R285 N286 P287 A289 E322 A323 T326L280-M283 HydrophobicContact CB-CB 4.43Å; L280-M283 HydrophobicContact CB-CG 4.13Å; L280-M283 HydrophobicContact CB-SD 4.22Å; L280-M283 HydrophobicContact CD1-SD 3.97Å; L280-M283 WeakPolarHBondContact O-CA 3.46Å; L280-M283 WeakPolarHBondContact O-CB 3.27Å; L280-M283 PolarHBondContact O-N 2.87Å; D281-M283 PolarHBondContact O-N 3.1Å; D281-M283 VanDerWaalsContact O-N 3.11Å; M283-R285 PolarHBondContact O-N 3.15Å; M283-N286 WeakPolarHBondContact CA-O 3.35Å; M283-P287 WeakPolarHBondContact CE-O 3.28Å; M283-A289 HydrophobicContact CG-CB 3.96Å; M283-A289 HydrophobicContact SD-CB 3.79Å; M283-A289 PolarHBondContact SD-N 3.04Å; M283-A289 VanDerWaalsContact SD-N 3.44Å; M283-E322 HydrophobicContact CE-CB 3.87Å; M283-A323 HydrophobicContact CB-CB 4.38Å; M283-A323 HydrophobicContact CE-CB 4.42Å; M283-A323 HydrophobicContact SD-CB 4.45Å; M283-T326 HydrophobicContact SD-CG2 4.02Å
284Q98.5Very high97.9Very high67 Ų6761.5 Ų61.531%0.31330%0.302SS..G310 helixtrans-59.2-33.3164.2-69.5178.659.200111.4D281 S282 E313 L318D281-Q284 WeakPolarHBondContact O-CB 3.49Å; D281-Q284 WeakPolarHBondContact O-CG 3.42Å; D281-Q284 PolarHBondContact O-N 3.3Å; S282-Q284 PolarHBondContact O-N 2.79Å; Q284-E313 HydrophobicContact CG-CG 4.32Å; Q284-L318 PolarHBondContact O-N 3.21Å
285R98.5Very high97.9Very high203 Ų20364.6 Ų64.677%0.76632%0.324SS*.THydrogen-bonded Turntrans-114.3-18-176.4-59.3-178.9-174.4174.12.4113.7S282 M283 Y319S282-R285 PolarHBondContact O-N 3.33Å; S282-R285 VanDerWaalsContact O-N 3.14Å; M283-R285 PolarHBondContact O-N 3.15Å; R285-Y319 WeakPolarHBondContact O-CE2 3.44Å
286N98.4Very high97.9Very high80 Ų8066.6 Ų66.643%0.42833%0.334SS..  trans-123.2146.1-172.6-60.7-70.9000112.2S282 M283 R288 Y319S282-N286 WeakPolarHBondContact O-CB 3.16Å; S282-N286 PolarHBondContact O-N 3.39Å; S282-N286 PolarHBondContact O-ND2 3.04Å; M283-N286 WeakPolarHBondContact CA-O 3.35Å; N286-R288 PolarHBondContact O-N 3.11Å; N286-Y319 WeakPolarHBondContact O-CD2 3.1Å
287P97.9Very high97.9Very high76 Ų7666.6 Ų66.649%0.49433%0.334SS..SBendtrans-75.1-1.6178.130.6-36.2000113.9M283 Y319M283-P287 WeakPolarHBondContact CE-O 3.28Å; P287-Y319 HydrophobicContact CB-CD1 3.86Å; P287-Y319 HydrophobicContact CB-CE1 3.69Å; P287-Y319 HydrophobicContact CB-CG 4.33Å; P287-Y319 HydrophobicContact CG-CE1 4.43Å
288R98.1Very high98.2Very high200 Ų20066.1 Ų66.176%0.75533%0.333SS*.SBendtrans-148.5139.4-179.2-164.3-175.2-59150.43.7110.6N286N286-R288 PolarHBondContact O-N 3.11Å
289A98.2Very high98.4Very high19 Ų1964 Ų6416%0.15733%0.325CS..  trans-68159.4174.100000112.9L280 M283 E293 T326L280-A289 HydrophobicContact CD2-CB 3.76Å; M283-A289 HydrophobicContact CG-CB 3.96Å; M283-A289 HydrophobicContact SD-CB 3.79Å; M283-A289 PolarHBondContact SD-N 3.04Å; M283-A289 VanDerWaalsContact SD-N 3.44Å; A289-E293 WeakPolarHBondContact CA-OE2 3.4Å; A289-E293 HydrophobicContact CB-CB 4.24Å; A289-T326 HydrophobicContact CB-CG2 4.26Å
290T98.4Very high98.4Very high66 Ų6664.1 Ų64.141%0.40533%0.326SS..  trans-73.8165.917167.80000111.7A292 E293 A294T290-A292 VanDerWaalsContact C-N 3.28Å; T290-A292 PolarHBondContact O-N 2.71Å; T290-E293 WeakPolarHBondContact CB-OE2 3.36Å; T290-E293 WeakPolarHBondContact CG2-OE2 3.49Å; T290-E293 PolarHBondContact N-OE2 3.37Å; T290-E293 WeakPolarHBondContact OG1-CB 3.35Å; T290-E293 VanDerWaalsContact OG1-CD 3.32Å; T290-E293 VanDerWaalsContact OG1-CG 3.26Å; T290-E293 WeakPolarHBondContact OG1-CG 3.33Å; T290-E293 PolarHBondContact OG1-N 3.26Å; T290-E293 VanDerWaalsContact OG1-N 3.17Å; T290-E293 PolarHBondContact OG1-OE2 3.08Å; T290-A294 PolarHBondContact O-N 3.28Å; T290-A294 VanDerWaalsContact O-N 3.11Å
291R98.2Very high98.4Very high233 Ų23364.3 Ų64.388%0.87933%0.327SS*.Hα-helixtrans-64-34.2172.9-69.4-104.8-73.9-166.9-2.7112.3S295R291-S295 WeakPolarHBondContact O-CB 3.15Å; R291-S295 PolarHBondContact O-N 3.18Å
292A98.3Very high98.5Very high73 Ų7367 Ų6760%0.60333%0.334SS*.Hα-helixtrans-67.6-48179.700000111.1T290 A294 S295 D296T290-A292 VanDerWaalsContact C-N 3.28Å; T290-A292 PolarHBondContact O-N 2.71Å; A292-A294 PolarHBondContact O-N 3.45Å; A292-S295 WeakPolarHBondContact O-CB 3.49Å; A292-S295 PolarHBondContact O-N 3.07Å; A292-D296 WeakPolarHBondContact O-CB 3.25Å; A292-D296 PolarHBondContact O-N 3.4Å
293E98.6Very high98.5Very high24 Ų2467 Ų6711%0.11233%0.331CS..Hα-helixtrans-60.7-44.1175.5-71.9164.9148.100111.9M279 L280 D281 S282 A289 T290 S295 D296 V297M279-E293 WeakPolarHBondContact O-CB 3.34Å; M279-E293 WeakPolarHBondContact O-CG 3.41Å; L280-E293 HydrophobicContact CD2-CB 3.95Å; D281-E293 PolarHBondContact N-OE1 3.4Å; S282-E293 WeakPolarHBondContact CB-OE1 3.36Å; S282-E293 PolarHBondContact N-OE1 3.08Å; S282-E293 VanDerWaalsContact OG-CD 3.23Å; S282-E293 PolarHBondContact OG-OE1 3.41Å; S282-E293 PolarHBondContact OG-OE2 3.46Å; A289-E293 WeakPolarHBondContact CA-OE2 3.4Å; A289-E293 HydrophobicContact CB-CB 4.24Å; T290-E293 WeakPolarHBondContact CB-OE2 3.36Å; T290-E293 WeakPolarHBondContact CG2-OE2 3.49Å; T290-E293 PolarHBondContact N-OE2 3.37Å; T290-E293 WeakPolarHBondContact OG1-CB 3.35Å; T290-E293 VanDerWaalsContact OG1-CD 3.32Å; T290-E293 VanDerWaalsContact OG1-CG 3.26Å; T290-E293 WeakPolarHBondContact OG1-CG 3.33Å; T290-E293 PolarHBondContact OG1-N 3.26Å; T290-E293 VanDerWaalsContact OG1-N 3.17Å; T290-E293 PolarHBondContact OG1-OE2 3.08Å; E293-S295 VanDerWaalsContact C-N 3.3Å; E293-S295 PolarHBondContact O-N 3.42Å; E293-D296 PolarHBondContact O-N 3.13Å; E293-V297 WeakPolarHBondContact O-CG2 3.42Å; E293-V297 PolarHBondContact O-N 3.42Å
294A98.7Very high98.5Very high34 Ų3467.3 Ų67.328%0.28134%0.335SS..Hα-helixtrans-61.3-39175.900000112.6T290 A292 A298 I330T290-A294 PolarHBondContact O-N 3.28Å; T290-A294 VanDerWaalsContact O-N 3.11Å; A292-A294 PolarHBondContact O-N 3.45Å; A294-A298 WeakPolarHBondContact O-CB 3.3Å; A294-A298 PolarHBondContact O-N 3.01Å; A294-A298 VanDerWaalsContact O-N 3.15Å; A294-I330 HydrophobicContact CB-CD1 4.09Å; A294-I330 HydrophobicContact CB-CG1 4.46Å
295S98.6Very high98.5Very high64 Ų6464.1 Ų64.145%0.44832%0.32SS..Hα-helixtrans-65.2-42.5174.1178.60000111.7R291 A292 E293 A298 N299R291-S295 WeakPolarHBondContact O-CB 3.15Å; R291-S295 PolarHBondContact O-N 3.18Å; A292-S295 WeakPolarHBondContact O-CB 3.49Å; A292-S295 PolarHBondContact O-N 3.07Å; E293-S295 VanDerWaalsContact C-N 3.3Å; E293-S295 PolarHBondContact O-N 3.42Å; S295-A298 PolarHBondContact O-N 2.84Å; S295-N299 PolarHBondContact O-N 3.05Å; S295-N299 PolarHBondContact O-ND2 2.89Å; S295-N299 PolarHBondContact OG-ND2 3.42Å
296D98.6Very high98.5Very high43 Ų4354.7 Ų54.723%0.2329%0.285CS..Hα-helixtrans-64.7-49-178.8-176.747000112R243 A292 E293 A298 N299 A300R243-D296 IonicContact CZ-OD1 3.45Å; R243-D296 IonicContact CZ-OD2 2.95Å; R243-D296 IonicContact NH1-OD1 2.87Å; R243-D296 PolarHBondContact NH1-OD1 2.9Å; R243-D296 IonicContact NH1-OD2 2.7Å; R243-D296 PolarHBondContact NH1-OD2 3.08Å; R243-D296 IonicContact NH2-OD2 2.57Å; R243-D296 PolarHBondContact NH2-OD2 2.97Å; A292-D296 WeakPolarHBondContact O-CB 3.25Å; A292-D296 PolarHBondContact O-N 3.4Å; E293-D296 PolarHBondContact O-N 3.13Å; D296-A298 VanDerWaalsContact C-N 3.32Å; D296-A298 PolarHBondContact O-N 3.04Å; D296-N299 PolarHBondContact O-N 3.4Å; D296-N299 VanDerWaalsContact O-N 3.11Å; D296-A300 PolarHBondContact O-N 2.84Å
297V98.7Very high98.5Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-57.7-44.4173.6175.30000111.2M279 L280 E293 N299 A300 I301 M327 I330M279-V297 HydrophobicContact CB-CG2 4.32Å; M279-V297 HydrophobicContact CE-CB 4.32Å; M279-V297 HydrophobicContact CE-CG1 4.32Å; M279-V297 HydrophobicContact CE-CG2 3.82Å; M279-V297 HydrophobicContact SD-CG2 4.42Å; L280-V297 HydrophobicContact CD2-CG2 3.71Å; L280-V297 HydrophobicContact CG-CG2 4.28Å; E293-V297 WeakPolarHBondContact O-CG2 3.42Å; E293-V297 PolarHBondContact O-N 3.42Å; V297-N299 VanDerWaalsContact C-N 3.33Å; V297-N299 PolarHBondContact O-N 3.18Å; V297-A300 PolarHBondContact O-N 3.35Å; V297-I301 WeakPolarHBondContact O-CG1 3.41Å; V297-I301 PolarHBondContact O-N 3.15Å; V297-M327 HydrophobicContact CG1-SD 3.49Å; V297-M327 WeakPolarHBondContact CG1-SD 3.45Å; V297-M327 HydrophobicContact CG2-CE 4.19Å; V297-M327 HydrophobicContact CG2-SD 4.14Å; V297-I330 HydrophobicContact CB-CD1 4.37Å; V297-I330 HydrophobicContact CB-CG2 3.96Å; V297-I330 HydrophobicContact CG1-CB 4.17Å; V297-I330 HydrophobicContact CG1-CD1 4.43Å; V297-I330 HydrophobicContact CG1-CG2 3.62Å
298A98.6Very high98.6Very high15 Ų1547.3 Ų47.312%0.12424%0.241CC..Hα-helixtrans-62.4-40.4177.400000112A294 S295 D296 I301 Y302 I330 A334A294-A298 WeakPolarHBondContact O-CB 3.3Å; A294-A298 PolarHBondContact O-N 3.01Å; A294-A298 VanDerWaalsContact O-N 3.15Å; S295-A298 PolarHBondContact O-N 2.84Å; D296-A298 VanDerWaalsContact C-N 3.32Å; D296-A298 PolarHBondContact O-N 3.04Å; A298-I301 WeakPolarHBondContact O-CB 3.47Å; A298-I301 PolarHBondContact O-N 3.32Å; A298-I301 VanDerWaalsContact O-N 3.17Å; A298-Y302 HydrophobicContact CB-CD2 4.48Å; A298-Y302 HydrophobicContact CB-CE2 3.95Å; A298-Y302 WeakPolarHBondContact O-CD2 3.47Å; A298-Y302 PolarHBondContact O-N 2.93Å; A298-I330 HydrophobicContact CB-CG2 4.25Å; A298-A334 HydrophobicContact CB-CB 4.16Å
299N98.7Very high98.6Very high63 Ų6337.9 Ų37.934%0.33721%0.205SC..Hα-helixtrans-64.6-39176.3-83.2-74.4000112.7S295 D296 V297 I301 Y302 D303S295-N299 PolarHBondContact O-N 3.05Å; S295-N299 PolarHBondContact O-ND2 2.89Å; S295-N299 PolarHBondContact OG-ND2 3.42Å; D296-N299 PolarHBondContact O-N 3.4Å; D296-N299 VanDerWaalsContact O-N 3.11Å; V297-N299 VanDerWaalsContact C-N 3.33Å; V297-N299 PolarHBondContact O-N 3.18Å; N299-I301 PolarHBondContact O-N 3.16Å; N299-Y302 PolarHBondContact O-N 3.06Å; N299-Y302 VanDerWaalsContact O-N 3.16Å; N299-D303 WeakPolarHBondContact O-CB 3.33Å; N299-D303 PolarHBondContact O-N 3.29Å
300A98.7Very high98.6Very high1 Ų137 Ų371%0.00820%0.198CC..Hα-helixtrans-56.9-37.1172.700000112.2T275 M279 D296 V297 G304 T305T275-A300 HydrophobicContact CG2-CB 3.84Å; M279-A300 HydrophobicContact CE-CB 4.43Å; D296-A300 PolarHBondContact O-N 2.84Å; V297-A300 PolarHBondContact O-N 3.35Å; A300-G304 PolarHBondContact O-N 2.88Å; A300-T305 HydrophobicContact CB-CG2 4.19Å; A300-T305 VanDerWaalsContact O-CB 3.3Å; A300-T305 WeakPolarHBondContact O-CB 3.45Å; A300-T305 VanDerWaalsContact O-CG2 3.27Å; A300-T305 WeakPolarHBondContact O-CG2 3.21Å; A300-T305 PolarHBondContact O-N 3Å; A300-T305 VanDerWaalsContact O-N 3.13Å
301I98.7Very high98.6Very high4 Ų434.8 Ų34.82%0.02119%0.186CC..Hα-helixtrans-73.2-40.6177.1-59.7175.3000111.4T4 V297 A298 N299 D303 G304 T305 A331 A334 E335 Q338T4-I301 HydrophobicContact CG2-CD1 4.48Å; T4-I301 HydrophobicContact CG2-CG1 4.16Å; V297-I301 WeakPolarHBondContact O-CG1 3.41Å; V297-I301 PolarHBondContact O-N 3.15Å; A298-I301 WeakPolarHBondContact O-CB 3.47Å; A298-I301 PolarHBondContact O-N 3.32Å; A298-I301 VanDerWaalsContact O-N 3.17Å; N299-I301 PolarHBondContact O-N 3.16Å; I301-D303 VanDerWaalsContact C-N 3.28Å; I301-D303 PolarHBondContact O-N 2.59Å; I301-G304 WeakPolarHBondContact O-CA 3.45Å; I301-G304 PolarHBondContact O-N 2.83Å; I301-T305 HydrophobicContact CG1-CG2 4.41Å; I301-A331 VanDerWaalsContact CD1-CA 3.42Å; I301-A331 HydrophobicContact CD1-CB 3.67Å; I301-A334 HydrophobicContact CB-CB 4.44Å; I301-A334 HydrophobicContact CD1-CB 4.26Å; I301-A334 HydrophobicContact CG2-CB 4.34Å; I301-E335 HydrophobicContact CG2-CG 4.1Å; I301-Q338 PolarHBondContact O-NE2 3.19Å
302Y98.5Very high98.6Very high115 Ų11524.6 Ų24.645%0.45115%0.153SC..Hα-helixtrans-64.3-33173.6-64.2-53.1000112.7A298 N299 G304 A334 Q338A298-Y302 HydrophobicContact CB-CD2 4.48Å; A298-Y302 HydrophobicContact CB-CE2 3.95Å; A298-Y302 WeakPolarHBondContact O-CD2 3.47Å; A298-Y302 PolarHBondContact O-N 2.93Å; N299-Y302 PolarHBondContact O-N 3.06Å; N299-Y302 VanDerWaalsContact O-N 3.16Å; Y302-G304 PolarHBondContact O-N 3.43Å; Y302-A334 HydrophobicContact CE1-CB 4.47Å; Y302-Q338 HydrophobicContact CD1-CG 3.8Å; Y302-Q338 HydrophobicContact CE1-CG 3.66Å
303D98.5Very high98.6Very high26 Ų2621.1 Ų21.114%0.13912%0.124CC..Hα-helixtrans-66.5-21.7174.1-64.3-15.4000111.7Q259 K260 I263 N299 I301Q259-D303 PolarHBondContact NE2-OD2 2.96Å; K260-D303 HydrophobicContact CG-CB 4.38Å; K260-D303 VanDerWaalsContact CG-CG 3.45Å; K260-D303 WeakPolarHBondContact CG-OD1 3.36Å; K260-D303 VanDerWaalsContact CG-OD2 3.3Å; K260-D303 WeakPolarHBondContact CG-OD2 3.22Å; K260-D303 IonicContact NZ-OD1 3.38Å; K260-D303 PolarHBondContact NZ-OD1 2.8Å; K260-D303 IonicContact NZ-OD2 3.86Å; K260-D303 PolarHBondContact NZ-OD2 3.47Å; I263-D303 HydrophobicContact CD1-CB 3.87Å; I263-D303 HydrophobicContact CG2-CB 4.34Å; I263-D303 WeakPolarHBondContact CG2-O 3.38Å; N299-D303 WeakPolarHBondContact O-CB 3.33Å; N299-D303 PolarHBondContact O-N 3.29Å; I301-D303 VanDerWaalsContact C-N 3.28Å; I301-D303 PolarHBondContact O-N 2.59Å
304G98.4Very high98.6Very high8 Ų820 Ų208%0.08212%0.119CC..THydrogen-bonded Turntrans100.831.417300000113.7N267 A300 I301 Y302 R392N267-G304 PolarHBondContact ND2-O 2.9Å; N267-G304 PolarHBondContact OD1-O 3.09Å; A300-G304 PolarHBondContact O-N 2.88Å; I301-G304 WeakPolarHBondContact O-CA 3.45Å; I301-G304 PolarHBondContact O-N 2.83Å; Y302-G304 PolarHBondContact O-N 3.43Å; G304-R392 PolarHBondContact O-NH2 2.8Å
305T98.8Very high98.6Very high0 Ų019.1 Ų19.10%011%0.112CC..  trans-63.3141176.6-1580000112.4T4 V273 T275 A300 I301 A307 V308T4-T305 HydrophobicContact CG2-CG2 3.93Å; T4-T305 PolarHBondContact OG1-O 3.33Å; V273-T305 PolarHBondContact O-OG1 3.21Å; T275-T305 PolarHBondContact N-OG1 3.49Å; T275-T305 WeakPolarHBondContact OG1-CB 3.38Å; T275-T305 PolarHBondContact OG1-OG1 3.38Å; A300-T305 HydrophobicContact CB-CG2 4.19Å; A300-T305 VanDerWaalsContact O-CB 3.3Å; A300-T305 WeakPolarHBondContact O-CB 3.45Å; A300-T305 VanDerWaalsContact O-CG2 3.27Å; A300-T305 WeakPolarHBondContact O-CG2 3.21Å; A300-T305 PolarHBondContact O-N 3Å; A300-T305 VanDerWaalsContact O-N 3.13Å; I301-T305 HydrophobicContact CG1-CG2 4.41Å; T305-A307 PolarHBondContact OG1-O 3.36Å; T305-V308 HydrophobicContact CG2-CG1 3.87Å
306D98.9Very high98.5Very high5 Ų519.4 Ų19.43%0.02712%0.118CC..SBendtrans-77.5-35.6175.4-72-102.3000111.3T4 K5 P272 V273 R392 W414T4-D306 CarbonylContact C-O 3.52Å; T4-D306 WeakPolarHBondContact CA-O 3.43Å; K5-D306 PolarHBondContact N-O 2.83Å; P272-D306 HydrophobicContact CB-CB 4.13Å; V273-D306 PolarHBondContact N-OD2 2.91Å; V273-D306 PolarHBondContact O-N 3.42Å; V273-D306 VanDerWaalsContact O-N 3.08Å; D306-R392 IonicContact OD1-CZ 3.16Å; D306-R392 IonicContact OD1-NH1 2.68Å; D306-R392 PolarHBondContact OD1-NH1 2.9Å; D306-R392 IonicContact OD1-NH2 3.38Å; D306-R392 PolarHBondContact OD1-NH2 3.43Å; D306-R392 IonicContact OD2-CZ 2.88Å; D306-R392 IonicContact OD2-NH2 2.64Å; D306-R392 PolarHBondContact OD2-NH2 2.81Å; D306-W414 HydrophobicContact CB-CB 4.07Å; D306-W414 WeakPolarHBondContact OD1-CB 3.27Å; D306-W414 PolarHBondContact OD1-N 2.95Å
307A98.9Very high98.5Very high0 Ų017.6 Ų17.60%011%0.109CC..EExtended strand (participates in β ladder)trans-143.4152.4-177.800000113.1K5 V7 V273 I274 T275 T305 I412K5-A307 HydrophobicContact CB-CB 3.92Å; K5-A307 CarbonylContact O-C 3.53Å; K5-A307 VanDerWaalsContact O-CA 3.22Å; K5-A307 WeakPolarHBondContact O-CA 3.39Å; V7-A307 HydrophobicContact CG2-CB 4.08Å; V273-A307 PolarHBondContact O-N 2.72Å; I274-A307 WeakPolarHBondContact CA-O 3.3Å; I274-A307 HydrophobicContact CG1-CB 4.26Å; I274-A307 HydrophobicContact CG2-CB 4.5Å; T275-A307 PolarHBondContact N-O 3.41Å; T305-A307 PolarHBondContact OG1-O 3.36Å; A307-I412 HydrophobicContact CB-CG1 3.95Å
308V98.9Very high98.4Very high0 Ų023.8 Ų23.80%014%0.141CC..EExtended strand (participates in β ladder)trans-117.1141.7174.3-70.50000109.4T4 K5 I6 V7 M279 T305 M327T4-V308 HydrophobicContact CG2-CG1 4Å; T4-V308 HydrophobicContact CG2-CG2 4.24Å; K5-V308 WeakPolarHBondContact O-CG2 3.37Å; K5-V308 PolarHBondContact O-N 2.72Å; I6-V308 WeakPolarHBondContact CA-O 3.31Å; I6-V308 HydrophobicContact CG1-CG2 4.23Å; V7-V308 PolarHBondContact N-O 2.93Å; M279-V308 HydrophobicContact CE-CB 3.64Å; M279-V308 HydrophobicContact CE-CG1 3.52Å; T305-V308 HydrophobicContact CG2-CG1 3.87Å; V308-M327 HydrophobicContact CB-CE 4.29Å; V308-M327 HydrophobicContact CB-SD 3.82Å; V308-M327 HydrophobicContact CG1-SD 4.49Å; V308-M327 HydrophobicContact CG2-CE 4.26Å; V308-M327 HydrophobicContact CG2-CG 3.6Å; V308-M327 HydrophobicContact CG2-SD 3.36Å; V308-M327 WeakPolarHBondContact CG2-SD 3.48Å
309M98.9Very high98.4Very high2 Ų226.5 Ų26.51%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-119.1132.3-173.1-173.3177.194.100113.5V7 R32 M240 I274 T275 A276 M279V7-M309 HydrophobicContact CB-CB 4.02Å; V7-M309 HydrophobicContact CB-CG 3.9Å; V7-M309 HydrophobicContact CG1-CG 3.92Å; V7-M309 HydrophobicContact CG1-SD 4.27Å; V7-M309 CarbonylContact O-C 3.48Å; V7-M309 VanDerWaalsContact O-CA 3.32Å; V7-M309 WeakPolarHBondContact O-CA 3.14Å; R32-M309 WeakPolarHBondContact CD-SD 3.26Å; M240-M309 HydrophobicContact CE-SD 3.7Å; M240-M309 HydrophobicContact SD-CE 4.12Å; M240-M309 HydrophobicContact SD-SD 4.01Å; I274-M309 HydrophobicContact CG2-CB 3.77Å; I274-M309 HydrophobicContact CG2-SD 4.47Å; T275-M309 PolarHBondContact O-N 2.93Å; A276-M309 HydrophobicContact CB-CB 4.23Å; A276-M309 HydrophobicContact CB-CE 3.48Å; A276-M309 VanDerWaalsContact CB-CE 3.48Å; A276-M309 HydrophobicContact CB-SD 4.09Å; M279-M309 VanDerWaalsContact CG-O 3.28Å; M279-M309 WeakPolarHBondContact CG-O 3.5Å
310L98.8Very high98.4Very high0 Ų023.8 Ų23.80%014%0.135CC..EExtended strand (participates in β ladder)trans-96.9135.6168.2-66.3167.5000110.1V7 T9 L280 E313 T314 A323 V324 M327V7-L310 PolarHBondContact O-N 2.83Å; T9-L310 WeakPolarHBondContact CB-O 3.3Å; T9-L310 PolarHBondContact N-O 3.19Å; T9-L310 PolarHBondContact OG1-O 2.62Å; L280-L310 HydrophobicContact CB-CD2 4.1Å; L280-L310 HydrophobicContact CD1-CD2 4.11Å; L280-L310 HydrophobicContact CG-CD2 4.18Å; L310-E313 HydrophobicContact CB-CB 4.48Å; L310-E313 HydrophobicContact CD2-CB 4.05Å; L310-E313 HydrophobicContact CD2-CG 4.02Å; L310-E313 WeakPolarHBondContact CD2-OE1 3.16Å; L310-T314 HydrophobicContact CB-CG2 3.8Å; L310-T314 HydrophobicContact CD1-CG2 3.69Å; L310-T314 HydrophobicContact CG-CG2 4.36Å; L310-A323 HydrophobicContact CD1-CB 4.1Å; L310-A323 HydrophobicContact CD2-CB 4.43Å; L310-V324 HydrophobicContact CD1-CB 4.49Å; L310-V324 HydrophobicContact CD1-CG2 3.82Å; L310-M327 HydrophobicContact CD1-CB 4.34Å; L310-M327 HydrophobicContact CD2-CE 3.51Å; L310-M327 HydrophobicContact CG-CE 3.86Å
311S97.9Very high98.4Very high21 Ų2125.1 Ų25.115%0.14714%0.141CC..SBendtrans-108.6-103-176.4-55.80000110.3E313 T314 A315S311-E313 VanDerWaalsContact C-OE2 3.3Å; S311-E313 WeakPolarHBondContact CA-OE2 3.43Å; S311-E313 PolarHBondContact N-OE2 3.25Å; S311-E313 PolarHBondContact O-N 3.18Å; S311-T314 PolarHBondContact O-N 3.42Å; S311-A315 WeakPolarHBondContact O-CB 3.47Å; S311-A315 PolarHBondContact O-N 2.99Å; S311-A315 VanDerWaalsContact O-N 3.15Å
312G97.1Very high98.4Very high18 Ų1828.1 Ų28.119%0.18616%0.155CC..Hα-helixtrans-63.2-28-18000000112.8T314 A315 A316 G317G312-T314 VanDerWaalsContact C-N 3.26Å; G312-T314 PolarHBondContact O-N 3.27Å; G312-A315 PolarHBondContact O-N 2.82Å; G312-A316 PolarHBondContact O-N 3.37Å; G312-G317 PolarHBondContact O-N 3.38Å
313E98.7Very high98.5Very high1 Ų122.6 Ų22.61%0.00513%0.133CC..Hα-helixtrans-55-41.2-178.8-53.596.1128.200112.3L280 D281 Q284 L310 S311 A323L280-E313 WeakPolarHBondContact CA-OE1 3.43Å; L280-E313 HydrophobicContact CB-CG 4.25Å; L280-E313 PolarHBondContact N-OE1 3.28Å; L280-E313 VanDerWaalsContact O-CG 3.25Å; L280-E313 WeakPolarHBondContact O-CG 3.19Å; D281-E313 PolarHBondContact N-OE1 3Å; Q284-E313 HydrophobicContact CG-CG 4.32Å; L310-E313 HydrophobicContact CB-CB 4.48Å; L310-E313 HydrophobicContact CD2-CB 4.05Å; L310-E313 HydrophobicContact CD2-CG 4.02Å; L310-E313 WeakPolarHBondContact CD2-OE1 3.16Å; S311-E313 VanDerWaalsContact C-OE2 3.3Å; S311-E313 WeakPolarHBondContact CA-OE2 3.43Å; S311-E313 PolarHBondContact N-OE2 3.25Å; S311-E313 PolarHBondContact O-N 3.18Å; E313-A323 HydrophobicContact CB-CB 3.91Å
314T98.7Very high98.5Very high0 Ų021.4 Ų21.40%013%0.127CC..Hα-helixtrans-99.4-25.4178.4570000113C8 T9 S14 L310 S311 G312 V324C8-T314 HydrophobicContact CB-CG2 4.06Å; T9-T314 PolarHBondContact N-OG1 3.15Å; T9-T314 VanDerWaalsContact N-OG1 3.11Å; T9-T314 CarbonylContact O-C 3.59Å; T9-T314 WeakPolarHBondContact O-CB 3.31Å; T9-T314 PolarHBondContact O-OG1 2.8Å; S14-T314 WeakPolarHBondContact CB-O 3.14Å; S14-T314 PolarHBondContact OG-O 2.8Å; L310-T314 HydrophobicContact CB-CG2 3.8Å; L310-T314 HydrophobicContact CD1-CG2 3.69Å; L310-T314 HydrophobicContact CG-CG2 4.36Å; S311-T314 PolarHBondContact O-N 3.42Å; G312-T314 VanDerWaalsContact C-N 3.26Å; G312-T314 PolarHBondContact O-N 3.27Å; T314-V324 HydrophobicContact CG2-CG2 3.83Å
315A98Very high98.5Very high16 Ų1624.8 Ų24.813%0.13214%0.139CC..Hα-helixtrans-78.4-45.5-176.100000113.1T9 G11 P12 A13 S311 G312T9-A315 HydrophobicContact CG2-CB 3.88Å; T9-A315 WeakPolarHBondContact O-CA 3.44Å; T9-A315 PolarHBondContact O-N 3.3Å; G11-A315 CarbonylContact C-O 3.58Å; G11-A315 VanDerWaalsContact CA-O 3.27Å; G11-A315 WeakPolarHBondContact CA-O 3.45Å; P12-A315 WeakPolarHBondContact CD-O 3.41Å; P12-A315 VanDerWaalsContact N-O 3.08Å; A13-A315 WeakPolarHBondContact CB-O 3.26Å; A13-A315 PolarHBondContact N-O 3.06Å; S311-A315 WeakPolarHBondContact O-CB 3.47Å; S311-A315 PolarHBondContact O-N 2.99Å; S311-A315 VanDerWaalsContact O-N 3.15Å; G312-A315 PolarHBondContact O-N 2.82Å
316A97.7Very high98.5Very high70 Ų7026.2 Ų26.258%0.57915%0.148SC*.THydrogen-bonded Turntrans-139.31.5-173.300000113.8G312G312-A316 PolarHBondContact O-N 3.37Å
317G97.6Very high98.5Very high4 Ų426 Ų264%0.04115%0.147CC..  trans-72.4158.7177.800000113.5A13 G312 Y319A13-G317 VanDerWaalsContact CB-O 3.31Å; A13-G317 WeakPolarHBondContact CB-O 2.98Å; G312-G317 PolarHBondContact O-N 3.38Å; G317-Y319 VanDerWaalsContact C-N 3.32Å
318L98.5Very high98.5Very high130 Ų13030 Ų3068%0.68116%0.162SC*.SBendtrans-75.5-20.1178.7-63.6173.2000113.5Q284 P320Q284-L318 PolarHBondContact O-N 3.21Å; L318-P320 WeakPolarHBondContact O-CD 3.12Å
319Y98.6Very high98.5Very high73 Ų7333.9 Ų33.929%0.28618%0.183SC..  trans-127.255.8-171.3-58.4-80.8000113.1R285 N286 P287 G317 E321 E322 A323R285-Y319 WeakPolarHBondContact O-CE2 3.44Å; N286-Y319 WeakPolarHBondContact O-CD2 3.1Å; P287-Y319 HydrophobicContact CB-CD1 3.86Å; P287-Y319 HydrophobicContact CB-CE1 3.69Å; P287-Y319 HydrophobicContact CB-CG 4.33Å; P287-Y319 HydrophobicContact CG-CE1 4.43Å; G317-Y319 VanDerWaalsContact C-N 3.32Å; Y319-E321 PolarHBondContact O-N 3.35Å; Y319-E322 WeakPolarHBondContact CA-OE2 3.23Å; Y319-E322 HydrophobicContact CD1-CG 4.46Å; Y319-E322 PolarHBondContact O-N 2.87Å; Y319-A323 WeakPolarHBondContact O-CB 3.38Å; Y319-A323 PolarHBondContact O-N 3.46Å
320P98.6Very high98.5Very high6 Ų635 Ų354%0.03919%0.188CC..Hα-helixtrans-65.6-40.6-173.727.9-36.4000112.7M19 L23 L318 V324M19-P320 HydrophobicContact CE-CG 3.86Å; M19-P320 HydrophobicContact CG-CG 4.19Å; M19-P320 HydrophobicContact SD-CB 4.49Å; M19-P320 HydrophobicContact SD-CG 3.74Å; L23-P320 HydrophobicContact CD1-CB 4.39Å; L318-P320 WeakPolarHBondContact O-CD 3.12Å; P320-V324 WeakPolarHBondContact O-CG2 2.97Å; P320-V324 PolarHBondContact O-N 3.11Å
321E98.8Very high98.4Very high28 Ų2835 Ų3513%0.13119%0.188CC..Hα-helixtrans-66.8-43179.2-175.4-175.9164.400111.2M19 K22 Y319 V324 K325M19-E321 HydrophobicContact SD-CB 4.35Å; K22-E321 HydrophobicContact CB-CG 4.1Å; K22-E321 VanDerWaalsContact CD-OE2 3.26Å; K22-E321 WeakPolarHBondContact CD-OE2 3.36Å; K22-E321 WeakPolarHBondContact CE-OE2 3.28Å; K22-E321 IonicContact NZ-OE2 2.85Å; K22-E321 PolarHBondContact NZ-OE2 2.92Å; Y319-E321 PolarHBondContact O-N 3.35Å; E321-V324 PolarHBondContact O-N 2.88Å; E321-K325 HydrophobicContact CG-CD 4.21Å; E321-K325 WeakPolarHBondContact O-CB 3.31Å; E321-K325 WeakPolarHBondContact O-CG 3.43Å; E321-K325 PolarHBondContact O-N 3.22Å; E321-K325 WeakPolarHBondContact OE1-CE 3.4Å; E321-K325 IonicContact OE1-NZ 3.92Å; E321-K325 PolarHBondContact OE1-NZ 3.19Å
322E98.8Very high98.5Very high67 Ų6737.1 Ų37.131%0.31320%0.2SC..Hα-helixtrans-67-36.7179.4-64.769.8-16100111.8M283 Y319 K325 T326M283-E322 HydrophobicContact CE-CB 3.87Å; Y319-E322 WeakPolarHBondContact CA-OE2 3.23Å; Y319-E322 HydrophobicContact CD1-CG 4.46Å; Y319-E322 PolarHBondContact O-N 2.87Å; E322-K325 PolarHBondContact O-N 3.24Å; E322-T326 VanDerWaalsContact O-CB 3.24Å; E322-T326 WeakPolarHBondContact O-CB 3.31Å; E322-T326 PolarHBondContact O-N 2.99Å; E322-T326 PolarHBondContact O-OG1 2.96Å
323A98.8Very high98.5Very high0 Ų040.2 Ų40.20%022%0.219CC..Hα-helixtrans-61-46.8175.100000110.9M283 L310 E313 Y319 T326 M327M283-A323 HydrophobicContact CB-CB 4.38Å; M283-A323 HydrophobicContact CE-CB 4.42Å; M283-A323 HydrophobicContact SD-CB 4.45Å; L310-A323 HydrophobicContact CD1-CB 4.1Å; L310-A323 HydrophobicContact CD2-CB 4.43Å; E313-A323 HydrophobicContact CB-CB 3.91Å; Y319-A323 WeakPolarHBondContact O-CB 3.38Å; Y319-A323 PolarHBondContact O-N 3.46Å; A323-T326 PolarHBondContact O-N 3.48Å; A323-M327 VanDerWaalsContact O-CB 3.31Å; A323-M327 WeakPolarHBondContact O-CB 3.32Å; A323-M327 PolarHBondContact O-N 3.43Å
324V98.8Very high98.5Very high0 Ų040.3 Ų40.30%022%0.22CC..Hα-helixtrans-65.5-43.4176.8-177.80000111.7I6 C8 L23 A26 L310 T314 P320 E321 T326 M327 R328I6-V324 HydrophobicContact CD1-CG1 4.46Å; I6-V324 HydrophobicContact CG2-CG1 4.43Å; C8-V324 WeakPolarHBondContact SG-CG2 3.45Å; L23-V324 HydrophobicContact CG-CG2 4.09Å; A26-V324 HydrophobicContact CB-CB 3.81Å; A26-V324 HydrophobicContact CB-CG1 3.52Å; L310-V324 HydrophobicContact CD1-CB 4.49Å; L310-V324 HydrophobicContact CD1-CG2 3.82Å; T314-V324 HydrophobicContact CG2-CG2 3.83Å; P320-V324 WeakPolarHBondContact O-CG2 2.97Å; P320-V324 PolarHBondContact O-N 3.11Å; E321-V324 PolarHBondContact O-N 2.88Å; V324-T326 VanDerWaalsContact C-N 3.34Å; V324-T326 PolarHBondContact O-N 3.42Å; V324-M327 PolarHBondContact O-N 2.99Å; V324-R328 PolarHBondContact O-N 3.37Å
325K98.7Very high98.5Very high79 Ų7940.5 Ų40.534%0.34322%0.221SC..Hα-helixtrans-59.6-44.6175.7-77.4173.4169.4171.10111.7A26 E321 E322 R328 N329A26-K325 HydrophobicContact CB-CG 3.9Å; E321-K325 HydrophobicContact CG-CD 4.21Å; E321-K325 WeakPolarHBondContact O-CB 3.31Å; E321-K325 WeakPolarHBondContact O-CG 3.43Å; E321-K325 PolarHBondContact O-N 3.22Å; E321-K325 WeakPolarHBondContact OE1-CE 3.4Å; E321-K325 IonicContact OE1-NZ 3.92Å; E321-K325 PolarHBondContact OE1-NZ 3.19Å; E322-K325 PolarHBondContact O-N 3.24Å; K325-R328 PolarHBondContact O-N 3.07Å; K325-N329 WeakPolarHBondContact O-CB 3.43Å; K325-N329 PolarHBondContact O-N 2.87Å; K325-N329 PolarHBondContact O-ND2 3.16Å; K325-N329 PolarHBondContact O-OD1 3.36Å
326T98.7Very high98.4Very high31 Ų3144 Ų4419%0.1925%0.249CC..Hα-helixtrans-65.8-45.6179.2-60.20000110.8L280 M283 A289 E322 A323 V324 R328 N329 I330L280-T326 HydrophobicContact CD1-CG2 4.13Å; M283-T326 HydrophobicContact SD-CG2 4.02Å; A289-T326 HydrophobicContact CB-CG2 4.26Å; E322-T326 VanDerWaalsContact O-CB 3.24Å; E322-T326 WeakPolarHBondContact O-CB 3.31Å; E322-T326 PolarHBondContact O-N 2.99Å; E322-T326 PolarHBondContact O-OG1 2.96Å; A323-T326 PolarHBondContact O-N 3.48Å; V324-T326 VanDerWaalsContact C-N 3.34Å; V324-T326 PolarHBondContact O-N 3.42Å; T326-R328 VanDerWaalsContact C-N 3.35Å; T326-R328 PolarHBondContact O-N 3.03Å; T326-N329 PolarHBondContact O-N 3.5Å; T326-N329 VanDerWaalsContact O-N 3.13Å; T326-I330 HydrophobicContact CG2-CD1 3.89Å; T326-I330 HydrophobicContact CG2-CG1 4.48Å; T326-I330 WeakPolarHBondContact O-CG1 3.11Å; T326-I330 PolarHBondContact O-N 3.28Å
327M98.8Very high98.3Very high0 Ų044.2 Ų44.20%025%0.251CS..Hα-helixtrans-55.1-48.7174.9-175.363.47900111.6I6 M279 L280 V297 V308 L310 A323 V324 N329 I330 A331I6-M327 HydrophobicContact CD1-CB 4.25Å; I6-M327 HydrophobicContact CD1-CG 3.97Å; I6-M327 HydrophobicContact CG1-CG 4.03Å; I6-M327 HydrophobicContact CG2-CG 4.14Å; M279-M327 HydrophobicContact CB-CE 3.93Å; M279-M327 HydrophobicContact CE-CE 4.27Å; M279-M327 HydrophobicContact CG-CE 4.49Å; L280-M327 HydrophobicContact CD1-CB 4.17Å; L280-M327 HydrophobicContact CD1-CE 4.01Å; L280-M327 HydrophobicContact CG-CE 3.98Å; V297-M327 HydrophobicContact CG1-SD 3.49Å; V297-M327 WeakPolarHBondContact CG1-SD 3.45Å; V297-M327 HydrophobicContact CG2-CE 4.19Å; V297-M327 HydrophobicContact CG2-SD 4.14Å; V308-M327 HydrophobicContact CB-CE 4.29Å; V308-M327 HydrophobicContact CB-SD 3.82Å; V308-M327 HydrophobicContact CG1-SD 4.49Å; V308-M327 HydrophobicContact CG2-CE 4.26Å; V308-M327 HydrophobicContact CG2-CG 3.6Å; V308-M327 HydrophobicContact CG2-SD 3.36Å; V308-M327 WeakPolarHBondContact CG2-SD 3.48Å; L310-M327 HydrophobicContact CD1-CB 4.34Å; L310-M327 HydrophobicContact CD2-CE 3.51Å; L310-M327 HydrophobicContact CG-CE 3.86Å; A323-M327 VanDerWaalsContact O-CB 3.31Å; A323-M327 WeakPolarHBondContact O-CB 3.32Å; A323-M327 PolarHBondContact O-N 3.43Å; V324-M327 PolarHBondContact O-N 2.99Å; M327-N329 PolarHBondContact O-N 3.27Å; M327-I330 PolarHBondContact O-N 3.25Å; M327-A331 PolarHBondContact O-N 3.12Å
328R98.7Very high98.1Very high84 Ų8445.1 Ų45.132%0.31726%0.255SS..Hα-helixtrans-59.3-45.4175.6-179.3-167.865.9-167.96.7112I6 A26 V324 K325 T326 A331 V332I6-R328 HydrophobicContact CD1-CB 3.84Å; A26-R328 WeakPolarHBondContact O-CD 3.3Å; A26-R328 PolarHBondContact O-NH1 2.98Å; V324-R328 PolarHBondContact O-N 3.37Å; K325-R328 PolarHBondContact O-N 3.07Å; T326-R328 VanDerWaalsContact C-N 3.35Å; T326-R328 PolarHBondContact O-N 3.03Å; R328-A331 PolarHBondContact O-N 3.22Å; R328-V332 WeakPolarHBondContact O-CG2 3.24Å; R328-V332 PolarHBondContact O-N 3.1Å
329N98.6Very high98Very high82 Ų8243.4 Ų43.444%0.43925%0.246SC..Hα-helixtrans-65.8-42.8-176-66.5-9.4000111.2K325 T326 M327 A331 V332 S333K325-N329 WeakPolarHBondContact O-CB 3.43Å; K325-N329 PolarHBondContact O-N 2.87Å; K325-N329 PolarHBondContact O-ND2 3.16Å; K325-N329 PolarHBondContact O-OD1 3.36Å; T326-N329 PolarHBondContact O-N 3.5Å; T326-N329 VanDerWaalsContact O-N 3.13Å; M327-N329 PolarHBondContact O-N 3.27Å; N329-A331 VanDerWaalsContact C-N 3.3Å; N329-A331 PolarHBondContact O-N 3.41Å; N329-V332 PolarHBondContact O-N 3.27Å; N329-S333 WeakPolarHBondContact O-CB 3.25Å; N329-S333 PolarHBondContact O-N 2.88Å; N329-S333 PolarHBondContact O-OG 2.68Å
330I98.7Very high97.9Very high25 Ų2541.2 Ų41.213%0.12824%0.237CC..Hα-helixtrans-58.9-45.1173.4-65160.9000110.1L280 A294 V297 A298 T326 M327 V332 S333 A334L280-I330 HydrophobicContact CD2-CD1 4.06Å; A294-I330 HydrophobicContact CB-CD1 4.09Å; A294-I330 HydrophobicContact CB-CG1 4.46Å; V297-I330 HydrophobicContact CB-CD1 4.37Å; V297-I330 HydrophobicContact CB-CG2 3.96Å; V297-I330 HydrophobicContact CG1-CB 4.17Å; V297-I330 HydrophobicContact CG1-CD1 4.43Å; V297-I330 HydrophobicContact CG1-CG2 3.62Å; A298-I330 HydrophobicContact CB-CG2 4.25Å; T326-I330 HydrophobicContact CG2-CD1 3.89Å; T326-I330 HydrophobicContact CG2-CG1 4.48Å; T326-I330 WeakPolarHBondContact O-CG1 3.11Å; T326-I330 PolarHBondContact O-N 3.28Å; M327-I330 PolarHBondContact O-N 3.25Å; I330-V332 PolarHBondContact O-N 3.12Å; I330-S333 PolarHBondContact O-N 3.02Å; I330-A334 WeakPolarHBondContact O-CB 3.27Å; I330-A334 PolarHBondContact O-N 2.87Å
331A98.7Very high97.9Very high0 Ų047.9 Ų47.90%027%0.266CS..Hα-helixtrans-59.8-49.1179.800000112.8R2 I301 M327 R328 N329 S333 A334 E335R2-A331 HydrophobicContact CG-CB 4.09Å; I301-A331 VanDerWaalsContact CD1-CA 3.42Å; I301-A331 HydrophobicContact CD1-CB 3.67Å; M327-A331 PolarHBondContact O-N 3.12Å; R328-A331 PolarHBondContact O-N 3.22Å; N329-A331 VanDerWaalsContact C-N 3.3Å; N329-A331 PolarHBondContact O-N 3.41Å; A331-S333 VanDerWaalsContact C-N 3.33Å; A331-S333 PolarHBondContact O-N 3.46Å; A331-A334 PolarHBondContact O-N 3.02Å; A331-E335 WeakPolarHBondContact O-CB 3.45Å; A331-E335 WeakPolarHBondContact O-CG 3.42Å; A331-E335 PolarHBondContact O-N 3.28Å
332V98.5Very high97.8Very high66 Ų6652.3 Ų52.340%0.429%0.285SS..Hα-helixtrans-61.3-41.6177.6172.80000111.5R2 R328 N329 I330 A336R2-V332 HydrophobicContact CB-CG2 3.98Å; R2-V332 HydrophobicContact CG-CG2 4.35Å; R328-V332 WeakPolarHBondContact O-CG2 3.24Å; R328-V332 PolarHBondContact O-N 3.1Å; N329-V332 PolarHBondContact O-N 3.27Å; I330-V332 PolarHBondContact O-N 3.12Å; V332-A336 VanDerWaalsContact O-CB 3.27Å; V332-A336 WeakPolarHBondContact O-CB 3.45Å; V332-A336 PolarHBondContact O-N 3.27Å
333S98.4Very high97.7Very high83 Ų8350.8 Ų50.858%0.5828%0.279SS*.Hα-helixtrans-66.7-42.9178.4-67.30000112.9N329 I330 A331N329-S333 WeakPolarHBondContact O-CB 3.25Å; N329-S333 PolarHBondContact O-N 2.88Å; N329-S333 PolarHBondContact O-OG 2.68Å; I330-S333 PolarHBondContact O-N 3.02Å; A331-S333 VanDerWaalsContact C-N 3.33Å; A331-S333 PolarHBondContact O-N 3.46Å
334A98.1Very high97.6Very high3 Ų351.1 Ų51.13%0.02528%0.28CS..Hα-helixtrans-66.5-45.7178.600000111.2A298 I301 Y302 I330 A331 A336 A337 Q338A298-A334 HydrophobicContact CB-CB 4.16Å; I301-A334 HydrophobicContact CB-CB 4.44Å; I301-A334 HydrophobicContact CD1-CB 4.26Å; I301-A334 HydrophobicContact CG2-CB 4.34Å; Y302-A334 HydrophobicContact CE1-CB 4.47Å; I330-A334 WeakPolarHBondContact O-CB 3.27Å; I330-A334 PolarHBondContact O-N 2.87Å; A331-A334 PolarHBondContact O-N 3.02Å; A334-A336 PolarHBondContact O-N 2.83Å; A334-A337 PolarHBondContact O-N 3.29Å; A334-Q338 WeakPolarHBondContact O-CG 3.46Å
335E98.1Very high97.6Very high4 Ų453.4 Ų53.42%0.01930%0.296CS..Hα-helixtrans-63.2-40.3178.4-70.7165178.900112.7R2 K3 T4 I301 A331 A337 Q338R2-E335 VanDerWaalsContact CA-OE2 3.32Å; R2-E335 WeakPolarHBondContact CA-OE2 3.13Å; K3-E335 WeakPolarHBondContact CA-OE1 3.22Å; K3-E335 WeakPolarHBondContact CB-OE1 3.44Å; K3-E335 VanDerWaalsContact N-CD 3.26Å; K3-E335 PolarHBondContact N-OE1 3.21Å; K3-E335 PolarHBondContact N-OE2 3.49Å; T4-E335 WeakPolarHBondContact CB-OE1 3.46Å; T4-E335 PolarHBondContact N-OE1 3.31Å; T4-E335 PolarHBondContact OG1-OE1 2.88Å; I301-E335 HydrophobicContact CG2-CG 4.1Å; A331-E335 WeakPolarHBondContact O-CB 3.45Å; A331-E335 WeakPolarHBondContact O-CG 3.42Å; A331-E335 PolarHBondContact O-N 3.28Å; E335-A337 PolarHBondContact O-N 3.47Å; E335-Q338 WeakPolarHBondContact O-CB 3.34Å; E335-Q338 PolarHBondContact O-N 2.82Å; E335-Q338 VanDerWaalsContact O-N 3.1Å
336A96.9Very high97.4Very high88 Ų8852.9 Ų52.973%0.72730%0.297SS*.Hα-helixtrans-62.2-24.7178.700000113.2V332 A334V332-A336 VanDerWaalsContact O-CB 3.27Å; V332-A336 WeakPolarHBondContact O-CB 3.45Å; V332-A336 PolarHBondContact O-N 3.27Å; A334-A336 PolarHBondContact O-N 2.83Å
337A95.6Very high97.3Very high75 Ų7552.6 Ų52.662%0.6229%0.293SS*.THydrogen-bonded Turntrans-94.52.5178.800000113.6A334 E335A334-A337 PolarHBondContact O-N 3.29Å; E335-A337 PolarHBondContact O-N 3.47Å
338Q93.1Very high97.2Very high24 Ų2454.8 Ų54.811%0.11231%0.306CS..  trans-86.3141.3-179.4-73.4-179.9-9.900112.6I301 Y302 A334 E335 Y340I301-Q338 PolarHBondContact O-NE2 3.19Å; Y302-Q338 HydrophobicContact CD1-CG 3.8Å; Y302-Q338 HydrophobicContact CE1-CG 3.66Å; A334-Q338 WeakPolarHBondContact O-CG 3.46Å; E335-Q338 WeakPolarHBondContact O-CB 3.34Å; E335-Q338 PolarHBondContact O-N 2.82Å; E335-Q338 VanDerWaalsContact O-N 3.1Å; Q338-Y340 PolarHBondContact O-N 3.19Å
339D96.6Very high97Very high93 Ų9358.5 Ų58.550%0.49732%0.324SS..  trans-86.998.1172-178.4-4.9000110.8K341 K342 L343D339-K341 PolarHBondContact O-N 3.35Å; D339-K341 WeakPolarHBondContact OD1-CA 3.25Å; D339-K341 VanDerWaalsContact OD1-CB 3.22Å; D339-K341 WeakPolarHBondContact OD1-CB 3.44Å; D339-K341 PolarHBondContact OD1-N 3.03Å; D339-K342 HydrophobicContact CB-CB 4.01Å; D339-K342 WeakPolarHBondContact O-CB 3.49Å; D339-K342 PolarHBondContact O-N 3.05Å; D339-K342 VanDerWaalsContact O-N 3.1Å; D339-K342 PolarHBondContact OD1-N 2.9Å; D339-L343 WeakPolarHBondContact O-CD1 3.44Å; D339-L343 PolarHBondContact O-N 3.12Å
340Y96.9Very high96.7Very high27 Ų2755.9 Ų55.911%0.10631%0.311CS..Hα-helixtrans-61.2-24.1177.6-72.3-73.1000114.1Q338 L343 L344 R392 H394 W414Q338-Y340 PolarHBondContact O-N 3.19Å; Y340-L343 HydrophobicContact CD1-CD2 4.25Å; Y340-L343 HydrophobicContact CE1-CD2 4.44Å; Y340-L344 WeakPolarHBondContact O-CB 3.48Å; Y340-L344 PolarHBondContact O-N 3.26Å; Y340-R392 WeakPolarHBondContact CD1-O 3.19Å; Y340-H394 HydrophobicContact CD1-CB 4.13Å; Y340-H394 HydrophobicContact CD2-CB 3.61Å; Y340-H394 AromaticContact CD2-CD2 3.84Å; Y340-H394 AromaticContact CD2-CG 3.58Å; Y340-H394 HydrophobicContact CE2-CB 4.06Å; Y340-H394 AromaticContact CE2-CD2 3.5Å; Y340-H394 AromaticContact CE2-CG 3.76Å; Y340-H394 HydrophobicContact CG-CB 3.64Å; Y340-W414 AromaticContact CE1-CH2 3.81Å; Y340-W414 HydrophobicContact CE1-CH2 3.81Å; Y340-W414 HydrophobicContact CE1-CZ2 4.01Å
341K97.5Very high96.4Very high146 Ų14655.2 Ų55.264%0.63531%0.308SS*.Hα-helixtrans-70.5-42174.3-177.2173.5-178.6162.30110.7D339 S345 L368D339-K341 PolarHBondContact O-N 3.35Å; D339-K341 WeakPolarHBondContact OD1-CA 3.25Å; D339-K341 VanDerWaalsContact OD1-CB 3.22Å; D339-K341 WeakPolarHBondContact OD1-CB 3.44Å; D339-K341 PolarHBondContact OD1-N 3.03Å; K341-S345 WeakPolarHBondContact O-CB 3.46Å; K341-S345 PolarHBondContact O-N 3.46Å; K341-L368 HydrophobicContact CB-CD2 3.98Å; K341-L368 HydrophobicContact CG-CD2 4.06Å
342K97.3Very high96Very high121 Ų12162.4 Ų62.453%0.52634%0.341SS..Hα-helixtrans-64.1-48.3173.3-177.617916758.50111D339 L344 S345 D346D339-K342 HydrophobicContact CB-CB 4.01Å; D339-K342 WeakPolarHBondContact O-CB 3.49Å; D339-K342 PolarHBondContact O-N 3.05Å; D339-K342 VanDerWaalsContact O-N 3.1Å; D339-K342 PolarHBondContact OD1-N 2.9Å; K342-L344 PolarHBondContact O-N 3.28Å; K342-S345 PolarHBondContact O-N 2.72Å; K342-S345 VanDerWaalsContact O-N 3.16Å; K342-D346 IonicContact NZ-OD2 3.09Å; K342-D346 WeakPolarHBondContact O-CB 3.44Å; K342-D346 VanDerWaalsContact O-CG 3.28Å; K342-D346 PolarHBondContact O-N 3.46Å
343L96.6Very high95.7Very high36 Ų3665.3 Ų65.319%0.18836%0.359CS..Hα-helixtrans-54.4-50.7177-93.362.4000111.2D339 Y340 S345 D346 R347 R392D339-L343 WeakPolarHBondContact O-CD1 3.44Å; D339-L343 PolarHBondContact O-N 3.12Å; Y340-L343 HydrophobicContact CD1-CD2 4.25Å; Y340-L343 HydrophobicContact CE1-CD2 4.44Å; L343-S345 PolarHBondContact O-N 2.94Å; L343-D346 PolarHBondContact O-N 3.17Å; L343-R347 VanDerWaalsContact O-CG 3.3Å; L343-R347 WeakPolarHBondContact O-CG 3.49Å; L343-R347 PolarHBondContact O-N 3.07Å; L343-R392 HydrophobicContact CB-CB 4.46Å; L343-R392 HydrophobicContact CD2-CB 4.16Å
344L97Very high95.4Very high6 Ų663.6 Ų63.63%0.03135%0.347CS..Hα-helixtrans-59.4-47.1177.3177.455.3000111.6Y340 K342 D346 R347 T348 A364 L368 Y391Y340-L344 WeakPolarHBondContact O-CB 3.48Å; Y340-L344 PolarHBondContact O-N 3.26Å; K342-L344 PolarHBondContact O-N 3.28Å; L344-D346 VanDerWaalsContact C-N 3.29Å; L344-D346 PolarHBondContact O-N 2.86Å; L344-R347 PolarHBondContact O-N 2.79Å; L344-T348 WeakPolarHBondContact O-CB 3.41Å; L344-T348 PolarHBondContact O-N 3.48Å; L344-T348 PolarHBondContact O-OG1 3.04Å; L344-A364 HydrophobicContact CD1-CB 3.51Å; L344-A364 HydrophobicContact CD2-CB 4.22Å; L344-L368 HydrophobicContact CD2-CB 4.41Å; L344-L368 HydrophobicContact CD2-CD2 4.05Å; L344-Y391 HydrophobicContact CD1-CD1 4.28Å
345S97.1Very high95Very high48 Ų4869.2 Ų69.234%0.33638%0.376SS..Hα-helixtrans-58.6-40.9178.9-169.20000112.7K341 K342 L343 K349K341-S345 WeakPolarHBondContact O-CB 3.46Å; K341-S345 PolarHBondContact O-N 3.46Å; K342-S345 PolarHBondContact O-N 2.72Å; K342-S345 VanDerWaalsContact O-N 3.16Å; L343-S345 PolarHBondContact O-N 2.94Å; S345-K349 WeakPolarHBondContact O-CG 3.39Å; S345-K349 PolarHBondContact O-N 2.66Å
346D96.3Very high94.7Very high68 Ų6870.6 Ų70.636%0.36439%0.385SS..Hα-helixtrans-67.4-40.8178.9-68.3-17.1000110.6K342 L343 L344 K349 L350K342-D346 IonicContact NZ-OD2 3.09Å; K342-D346 WeakPolarHBondContact O-CB 3.44Å; K342-D346 VanDerWaalsContact O-CG 3.28Å; K342-D346 PolarHBondContact O-N 3.46Å; L343-D346 PolarHBondContact O-N 3.17Å; L344-D346 VanDerWaalsContact C-N 3.29Å; L344-D346 PolarHBondContact O-N 2.86Å; D346-K349 PolarHBondContact O-N 2.96Å; D346-L350 VanDerWaalsContact O-CB 3.26Å; D346-L350 WeakPolarHBondContact O-CB 3.42Å; D346-L350 PolarHBondContact O-N 3.14Å; D346-L350 VanDerWaalsContact O-N 3.08Å
347R96.2Very high94.5Very high25 Ų2567.1 Ų67.19%0.09435%0.354CS..Hα-helixtrans-70.6-39.2177.4-60.4-57.5174.4-160.10.6113.3N267 L343 L344 K349 L350 V351 K390 Y391N267-R347 PolarHBondContact ND2-NH2 3.3Å; N267-R347 VanDerWaalsContact ND2-NH2 3.11Å; L343-R347 VanDerWaalsContact O-CG 3.3Å; L343-R347 WeakPolarHBondContact O-CG 3.49Å; L343-R347 PolarHBondContact O-N 3.07Å; L344-R347 PolarHBondContact O-N 2.79Å; R347-K349 PolarHBondContact O-N 3Å; R347-L350 VanDerWaalsContact NH1-CD2 3.35Å; R347-L350 PolarHBondContact O-N 3.39Å; R347-L350 VanDerWaalsContact O-N 3.15Å; R347-V351 WeakPolarHBondContact O-CG2 3.39Å; R347-V351 PolarHBondContact O-N 2.71Å; R347-K390 WeakPolarHBondContact CD-O 3.3Å; R347-K390 WeakPolarHBondContact CG-O 3.48Å; R347-Y391 HydrophobicContact CB-CD1 4.13Å
348T95.6Very high94.5Very high46 Ų4665.8 Ų65.828%0.28234%0.343SS..Hα-helixtrans-59.5-31176.3-61.10000112.1L344 I361L344-T348 WeakPolarHBondContact O-CB 3.41Å; L344-T348 PolarHBondContact O-N 3.48Å; L344-T348 PolarHBondContact O-OG1 3.04Å; T348-I361 HydrophobicContact CG2-CG2 4.43Å
349K95.6Very high94.7Very high162 Ų16266 Ų6670%0.70435%0.345SS*.Hα-helixtrans-86.4-29.5175.9-64.4169-170.3163.60113.5S345 D346 R347S345-K349 WeakPolarHBondContact O-CG 3.39Å; S345-K349 PolarHBondContact O-N 2.66Å; D346-K349 PolarHBondContact O-N 2.96Å; R347-K349 PolarHBondContact O-N 3Å
350L91.7Very high94.7Very high28 Ų2861.6 Ų61.615%0.14732%0.321CS..Hα-helixtrans-78.5-42.1-174.118067.4000112.6R264 K268 D346 R347R264-L350 HydrophobicContact CG-CD1 4.12Å; R264-L350 HydrophobicContact CG-CD2 4.09Å; K268-L350 HydrophobicContact CB-CD1 4.32Å; K268-L350 HydrophobicContact CB-CD2 4.18Å; K268-L350 HydrophobicContact CB-CG 3.95Å; K268-L350 HydrophobicContact CG-CD1 4.48Å; K268-L350 HydrophobicContact CG-CG 4.23Å; D346-L350 VanDerWaalsContact O-CB 3.26Å; D346-L350 WeakPolarHBondContact O-CB 3.42Å; D346-L350 PolarHBondContact O-N 3.14Å; D346-L350 VanDerWaalsContact O-N 3.08Å; R347-L350 VanDerWaalsContact NH1-CD2 3.35Å; R347-L350 PolarHBondContact O-N 3.39Å; R347-L350 VanDerWaalsContact O-N 3.15Å
351V92.4Very high94.7Very high11 Ų1162.1 Ų62.17%0.06733%0.325CS..SBendtrans-84.8143.3-172.6-178.50000110.3R347 N357 K390 Y391R347-V351 WeakPolarHBondContact O-CG2 3.39Å; R347-V351 PolarHBondContact O-N 2.71Å; V351-N357 WeakPolarHBondContact CG1-ND2 3.24Å; V351-K390 HydrophobicContact CG1-CD 4.1Å; V351-K390 HydrophobicContact CG2-CD 4.27Å; V351-Y391 HydrophobicContact CB-CE1 4.49Å
352E91.1Very high94.7Very high151 Ų15157.7 Ų57.771%0.70631%0.313SS*.PPolyproline II helixtrans-68.3148.2178.9-172.2176-173.900113S354 N357E352-S354 PolarHBondContact O-N 3.33Å; E352-N357 PolarHBondContact O-ND2 2.67Å
353T90.8Very high94.7Very high126 Ų12651.9 Ų51.977%0.77329%0.288SS*.PPolyproline II helixtrans-73.1118.4172.7-55.10000110.6
354S92.1Very high94.8Very high48 Ų4850.3 Ų50.334%0.33628%0.28SS..  trans-145.8167.5173.775.40000110.5E352 V356 N357 A358E352-S354 PolarHBondContact O-N 3.33Å; S354-V356 VanDerWaalsContact C-N 3.32Å; S354-V356 PolarHBondContact O-N 3.22Å; S354-N357 PolarHBondContact O-N 2.76Å; S354-N357 WeakPolarHBondContact OG-CB 3.43Å; S354-N357 VanDerWaalsContact OG-CG 3.29Å; S354-N357 PolarHBondContact OG-N 3.34Å; S354-N357 PolarHBondContact OG-ND2 3.28Å; S354-A358 WeakPolarHBondContact O-CB 3.08Å; S354-A358 PolarHBondContact O-N 2.89Å
355L90.4Very high94.8Very high121 Ų12153.3 Ų53.363%0.63429%0.293SS*.Hα-helixtrans-54.2-49.2177.5-176.5162.5000111.4N357 A358 N465L355-N357 PolarHBondContact O-N 2.73Å; L355-A358 WeakPolarHBondContact O-CB 3.47Å; L355-A358 PolarHBondContact O-N 3.17Å; L355-N465 HydrophobicContact CD2-CB 4.36Å
356V91.5Very high94.9Very high33 Ų3352.5 Ų52.520%0.229%0.287CS..Hα-helixtrans-64.9-41.6-179.2175.50000111S354 A358 I359 G360 T387 G462S354-V356 VanDerWaalsContact C-N 3.32Å; S354-V356 PolarHBondContact O-N 3.22Å; V356-A358 VanDerWaalsContact C-N 3.34Å; V356-A358 PolarHBondContact O-N 2.92Å; V356-I359 PolarHBondContact O-N 3.01Å; V356-G360 PolarHBondContact O-N 3.32Å; V356-T387 HydrophobicContact CG1-CG2 3.78Å; V356-G462 WeakPolarHBondContact CG2-O 3.36Å
357N93.8Very high95Very high14 Ų1449.3 Ų49.38%0.07527%0.27CS..Hα-helixtrans-71.3-28.2-179.8-74.2-17.8000112.5V351 E352 S354 L355 I359 G360 I361 Y391V351-N357 WeakPolarHBondContact CG1-ND2 3.24Å; E352-N357 PolarHBondContact O-ND2 2.67Å; S354-N357 PolarHBondContact O-N 2.76Å; S354-N357 WeakPolarHBondContact OG-CB 3.43Å; S354-N357 VanDerWaalsContact OG-CG 3.29Å; S354-N357 PolarHBondContact OG-N 3.34Å; S354-N357 PolarHBondContact OG-ND2 3.28Å; L355-N357 PolarHBondContact O-N 2.73Å; N357-I359 VanDerWaalsContact C-N 3.3Å; N357-I359 PolarHBondContact O-N 2.93Å; N357-G360 PolarHBondContact O-N 2.82Å; N357-G360 VanDerWaalsContact O-N 3.12Å; N357-I361 VanDerWaalsContact O-CG1 3.32Å; N357-I361 WeakPolarHBondContact O-CG1 3.26Å; N357-I361 PolarHBondContact O-N 2.59Å; N357-Y391 VanDerWaalsContact CB-OH 3.25Å; N357-Y391 WeakPolarHBondContact CB-OH 3.12Å; N357-Y391 PolarHBondContact O-OH 3.22Å
358A95.3Very high95Very high47 Ų4751 Ų5139%0.38828%0.28SS..Hα-helixtrans-59.9-40.4176.100000112.1S354 L355 V356 S362S354-A358 WeakPolarHBondContact O-CB 3.08Å; S354-A358 PolarHBondContact O-N 2.89Å; L355-A358 WeakPolarHBondContact O-CB 3.47Å; L355-A358 PolarHBondContact O-N 3.17Å; V356-A358 VanDerWaalsContact C-N 3.34Å; V356-A358 PolarHBondContact O-N 2.92Å; A358-S362 WeakPolarHBondContact O-CB 3.41Å; A358-S362 PolarHBondContact O-N 2.96Å; A358-S362 VanDerWaalsContact O-N 3.07Å; A358-S362 PolarHBondContact O-OG 3.33Å
359I96.5Very high95.1Very high29 Ų2954.7 Ų54.715%0.14930%0.298CS..Hα-helixtrans-67.5-43.7173.1-60.1-61.7000110.8V356 N357 I361 S362 V363 T464 M467V356-I359 PolarHBondContact O-N 3.01Å; N357-I359 VanDerWaalsContact C-N 3.3Å; N357-I359 PolarHBondContact O-N 2.93Å; I359-I361 PolarHBondContact O-N 3.37Å; I359-S362 PolarHBondContact O-N 3.07Å; I359-V363 HydrophobicContact CG2-CG2 3.98Å; I359-V363 WeakPolarHBondContact O-CB 3.37Å; I359-V363 VanDerWaalsContact O-CG2 3.27Å; I359-V363 WeakPolarHBondContact O-CG2 3.38Å; I359-V363 PolarHBondContact O-N 3.5Å; I359-T464 HydrophobicContact CB-CG2 4.32Å; I359-T464 HydrophobicContact CG2-CG2 3.88Å; I359-M467 HydrophobicContact CG2-CB 4.47Å
360G96.4Very high95.1Very high0 Ų049.4 Ų49.40%028%0.277CS..Hα-helixtrans-57.5-46.2177.500000113.4V356 N357 A364V356-G360 PolarHBondContact O-N 3.32Å; N357-G360 PolarHBondContact O-N 2.82Å; N357-G360 VanDerWaalsContact O-N 3.12Å; G360-A364 WeakPolarHBondContact O-CB 3.42Å; G360-A364 PolarHBondContact O-N 3.16Å
361I96.7Very high95.2Very high38 Ų3853.7 Ų53.720%0.19530%0.3CS..Hα-helixtrans-60.2-48.5175.1-68.1167.9000110.4T348 N357 I359 A364 H365 Y391T348-I361 HydrophobicContact CG2-CG2 4.43Å; N357-I361 VanDerWaalsContact O-CG1 3.32Å; N357-I361 WeakPolarHBondContact O-CG1 3.26Å; N357-I361 PolarHBondContact O-N 2.59Å; I359-I361 PolarHBondContact O-N 3.37Å; I361-A364 PolarHBondContact O-N 3.33Å; I361-H365 PolarHBondContact O-CD2 3.4Å; I361-H365 VanDerWaalsContact O-CD2 3.28Å; I361-H365 PolarHBondContact O-N 3.28Å; I361-Y391 HydrophobicContact CD1-CE1 4.32Å; I361-Y391 HydrophobicContact CG1-CD1 4.24Å; I361-Y391 HydrophobicContact CG1-CE1 3.4Å; I361-Y391 HydrophobicContact CG1-CE2 4.35Å; I361-Y391 VanDerWaalsContact CG1-CZ 3.48Å; I361-Y391 WeakPolarHBondContact CG1-OH 3.33Å
362S97.8Very high95.4Very high53 Ų5353.3 Ų53.337%0.37130%0.298SS..Hα-helixtrans-61.5-49.6-178.6-58.80000111.3A358 I359 A364 H365 T366A358-S362 WeakPolarHBondContact O-CB 3.41Å; A358-S362 PolarHBondContact O-N 2.96Å; A358-S362 VanDerWaalsContact O-N 3.07Å; A358-S362 PolarHBondContact O-OG 3.33Å; I359-S362 PolarHBondContact O-N 3.07Å; S362-A364 VanDerWaalsContact C-N 3.33Å; S362-A364 PolarHBondContact O-N 3.34Å; S362-H365 PolarHBondContact O-N 2.87Å; S362-T366 WeakPolarHBondContact O-CB 3.5Å; S362-T366 PolarHBondContact O-N 3.29Å; S362-T366 PolarHBondContact O-OG1 3.08Å
363V98.3Very high95.6Very high0 Ų050.8 Ų50.80%029%0.285CS..Hα-helixtrans-57.5-46.1176.8169.40000110.9I359 A367 I375 I388 I451 M467I359-V363 HydrophobicContact CG2-CG2 3.98Å; I359-V363 WeakPolarHBondContact O-CB 3.37Å; I359-V363 VanDerWaalsContact O-CG2 3.27Å; I359-V363 WeakPolarHBondContact O-CG2 3.38Å; I359-V363 PolarHBondContact O-N 3.5Å; V363-A367 WeakPolarHBondContact O-CB 3.42Å; V363-A367 PolarHBondContact O-N 3.46Å; V363-I375 HydrophobicContact CG1-CD1 3.92Å; V363-I375 HydrophobicContact CG1-CG1 4.18Å; V363-I375 HydrophobicContact CG1-CG2 3.74Å; V363-I388 HydrophobicContact CB-CD1 3.95Å; V363-I388 HydrophobicContact CG1-CD1 3.83Å; V363-I388 HydrophobicContact CG2-CD1 4.21Å; V363-I451 HydrophobicContact CG1-CD1 4.37Å; V363-I451 HydrophobicContact CG1-CG2 4.03Å; V363-I451 HydrophobicContact CG2-CG2 4.07Å; V363-M467 HydrophobicContact CG2-CB 3.7Å; V363-M467 HydrophobicContact CG2-CE 4.19Å; V363-M467 HydrophobicContact CG2-CG 4.31Å; V363-M467 HydrophobicContact CG2-SD 3.72Å
364A98.1Very high95.9Very high3 Ų344.8 Ų44.83%0.02525%0.248CC..Hα-helixtrans-67.6-41.5-177.900000112.9L344 G360 I361 S362 A367 L368 Y391L344-A364 HydrophobicContact CD1-CB 3.51Å; L344-A364 HydrophobicContact CD2-CB 4.22Å; G360-A364 WeakPolarHBondContact O-CB 3.42Å; G360-A364 PolarHBondContact O-N 3.16Å; I361-A364 PolarHBondContact O-N 3.33Å; S362-A364 VanDerWaalsContact C-N 3.33Å; S362-A364 PolarHBondContact O-N 3.34Å; A364-A367 PolarHBondContact O-N 3.01Å; A364-L368 PolarHBondContact O-N 2.9Å; A364-L368 VanDerWaalsContact O-N 3.13Å; A364-Y391 HydrophobicContact CB-CG 4.31Å
365H98Very high96.2Very high69 Ų6942.5 Ų42.532%0.31923%0.232SC..Hα-helixtrans-66.6-45.1175-83.3-67.4000112.3I361 S362 A367 L368 N369I361-H365 PolarHBondContact O-CD2 3.4Å; I361-H365 VanDerWaalsContact O-CD2 3.28Å; I361-H365 PolarHBondContact O-N 3.28Å; S362-H365 PolarHBondContact O-N 2.87Å; H365-A367 VanDerWaalsContact C-N 3.3Å; H365-A367 PolarHBondContact O-N 3.18Å; H365-L368 PolarHBondContact O-N 3.16Å; H365-N369 WeakPolarHBondContact O-CB 3.36Å; H365-N369 VanDerWaalsContact O-CG 3.23Å; H365-N369 PolarHBondContact O-N 3.08Å; H365-N369 PolarHBondContact O-ND2 2.96Å
366T98.2Very high96.6Very high31 Ų3136.7 Ų36.719%0.1920%0.202CC..Hα-helixtrans-60.7-42.5175.6-63.20000111S362 L368 N369 L370 I451 M467 I469S362-T366 WeakPolarHBondContact O-CB 3.5Å; S362-T366 PolarHBondContact O-N 3.29Å; S362-T366 PolarHBondContact O-OG1 3.08Å; T366-L368 VanDerWaalsContact C-N 3.33Å; T366-L368 PolarHBondContact O-N 3.46Å; T366-N369 PolarHBondContact O-N 3.39Å; T366-L370 HydrophobicContact CG2-CD1 3.72Å; T366-L370 HydrophobicContact CG2-CG 4.26Å; T366-L370 WeakPolarHBondContact O-CB 3.4Å; T366-L370 PolarHBondContact O-N 3.39Å; T366-I451 HydrophobicContact CG2-CD1 3.62Å; T366-I451 HydrophobicContact CG2-CG1 4.44Å; T366-M467 HydrophobicContact CG2-CE 4.04Å; T366-I469 HydrophobicContact CG2-CD1 3.47Å; T366-I469 VanDerWaalsContact CG2-CD1 3.47Å; T366-I469 HydrophobicContact CG2-CG1 3.83Å
367A98Very high96.9Very high1 Ų135.1 Ų35.11%0.00819%0.192CC..Hα-helixtrans-59.6-43.8179.300000112.3V363 A364 H365 N371 V372 I375 I451V363-A367 WeakPolarHBondContact O-CB 3.42Å; V363-A367 PolarHBondContact O-N 3.46Å; A364-A367 PolarHBondContact O-N 3.01Å; H365-A367 VanDerWaalsContact C-N 3.3Å; H365-A367 PolarHBondContact O-N 3.18Å; A367-N371 WeakPolarHBondContact O-CA 3.21Å; A367-N371 PolarHBondContact O-N 3Å; A367-N371 VanDerWaalsContact O-N 3.12Å; A367-V372 VanDerWaalsContact CA-CG2 3.46Å; A367-V372 HydrophobicContact CB-CG2 3.5Å; A367-V372 VanDerWaalsContact CB-CG2 3.5Å; A367-V372 PolarHBondContact O-N 2.86Å; A367-I375 HydrophobicContact CB-CD1 3.92Å; A367-I375 HydrophobicContact CB-CG1 4.32Å; A367-I451 HydrophobicContact CB-CD1 3.93Å
368L96.8Very high96.9Very high60 Ų6035.1 Ų35.131%0.31419%0.194SC..Hα-helixtrans-68.5-46.8177.2-177.364.3000112.1K341 L344 A364 H365 T366 N371K341-L368 HydrophobicContact CB-CD2 3.98Å; K341-L368 HydrophobicContact CG-CD2 4.06Å; L344-L368 HydrophobicContact CD2-CB 4.41Å; L344-L368 HydrophobicContact CD2-CD2 4.05Å; A364-L368 PolarHBondContact O-N 2.9Å; A364-L368 VanDerWaalsContact O-N 3.13Å; H365-L368 PolarHBondContact O-N 3.16Å; T366-L368 VanDerWaalsContact C-N 3.33Å; T366-L368 PolarHBondContact O-N 3.46Å; L368-N371 PolarHBondContact O-N 3.43Å
369N96.8Very high96.9Very high124 Ų12433.4 Ų33.466%0.66318%0.179SC*.Hα-helixtrans-70.8-35.7-173.7-70.6-12.2000113H365 T366H365-N369 WeakPolarHBondContact O-CB 3.36Å; H365-N369 VanDerWaalsContact O-CG 3.23Å; H365-N369 PolarHBondContact O-N 3.08Å; H365-N369 PolarHBondContact O-ND2 2.96Å; T366-N369 PolarHBondContact O-N 3.39Å
370L95.5Very high96.7Very high50 Ų5036 Ų3626%0.26219%0.19SC..THydrogen-bonded Turntrans-96.94.7179.1-57-176.3000112.9T366 V372 L449 I469 V584T366-L370 HydrophobicContact CG2-CD1 3.72Å; T366-L370 HydrophobicContact CG2-CG 4.26Å; T366-L370 WeakPolarHBondContact O-CB 3.4Å; T366-L370 PolarHBondContact O-N 3.39Å; L370-V372 VanDerWaalsContact C-N 3.27Å; L370-V372 HydrophobicContact CB-CG1 3.87Å; L370-V372 PolarHBondContact O-N 3.21Å; L370-L449 HydrophobicContact CB-CD1 4.14Å; L370-I469 HydrophobicContact CD1-CD1 3.93Å; L370-I469 HydrophobicContact CD1-CG2 4.2Å; L370-V584 HydrophobicContact CD2-CG1 4.28Å
371N94.7Very high96.5Very high119 Ų11937.8 Ų37.864%0.63620%0.203SC*.THydrogen-bonded Turntrans46.948.7-177.6-169.637.1000112.9A367 L368A367-N371 WeakPolarHBondContact O-CA 3.21Å; A367-N371 PolarHBondContact O-N 3Å; A367-N371 VanDerWaalsContact O-N 3.12Å; L368-N371 PolarHBondContact O-N 3.43Å
372V95.8Very high96.4Very high3 Ų336 Ų362%0.01819%0.193CC..  trans-67.9141.7-174-50.70000110.3A367 L370 I375 S395 L449 I451A367-V372 VanDerWaalsContact CA-CG2 3.46Å; A367-V372 HydrophobicContact CB-CG2 3.5Å; A367-V372 VanDerWaalsContact CB-CG2 3.5Å; A367-V372 PolarHBondContact O-N 2.86Å; L370-V372 VanDerWaalsContact C-N 3.27Å; L370-V372 HydrophobicContact CB-CG1 3.87Å; L370-V372 PolarHBondContact O-N 3.21Å; V372-I375 HydrophobicContact CG2-CG1 4.34Å; V372-S395 WeakPolarHBondContact CG2-OG 3.38Å; V372-S395 WeakPolarHBondContact O-CB 3.47Å; V372-S395 PolarHBondContact O-OG 2.79Å; V372-L449 CarbonylContact C-O 3.49Å; V372-L449 HydrophobicContact CB-CB 4.26Å; V372-L449 HydrophobicContact CG1-CB 4Å; V372-I451 HydrophobicContact CB-CG1 4.31Å; V372-I451 HydrophobicContact CG1-CD1 4.02Å; V372-I451 HydrophobicContact CG1-CG1 3.94Å; V372-I451 HydrophobicContact CG2-CD1 3.93Å; V372-I451 HydrophobicContact CG2-CG1 4.02Å
373K95.7Very high96.2Very high97 Ų9734.6 Ų34.642%0.42218%0.184SC..SBendtrans-69.2-44.7-175.5-169.469.8170.4-162.40112D396 R443 V444 D448 L449K373-D396 PolarHBondContact O-N 2.9Å; K373-R443 WeakPolarHBondContact CE-O 3.44Å; K373-R443 WeakPolarHBondContact CG-O 3.25Å; K373-V444 HydrophobicContact CB-CG2 4.41Å; K373-V444 HydrophobicContact CG-CG2 4.06Å; K373-D448 HydrophobicContact CB-CB 3.87Å; K373-D448 HydrophobicContact CG-CB 4.28Å; K373-L449 PolarHBondContact N-O 2.95Å
374A97.8Very high96.1Very high0 Ų034.9 Ų34.90%019%0.186CC..EExtended strand (participates in β ladder)trans-144.9150.9-17600000112.6D396 I398 V444 I450 I451A374-D396 CarbonylContact C-O 3.6Å; A374-D396 VanDerWaalsContact CA-O 3.27Å; A374-D396 WeakPolarHBondContact CA-O 3.14Å; A374-I398 HydrophobicContact CB-CD1 4.04Å; A374-V444 HydrophobicContact CB-CG2 3.63Å; A374-I450 HydrophobicContact CB-CG2 4.22Å; A374-I450 VanDerWaalsContact O-CA 3.29Å; A374-I450 WeakPolarHBondContact O-CA 3.27Å; A374-I451 PolarHBondContact O-N 3.38Å
375I98.6Very high96.1Very high0 Ų034.8 Ų34.80%019%0.185CC..EExtended strand (participates in β ladder)trans-111.6113.6169.4-58.3162.6000107.4V363 A367 V372 I388 P393 D396 I397 I398 I451 T453V363-I375 HydrophobicContact CG1-CD1 3.92Å; V363-I375 HydrophobicContact CG1-CG1 4.18Å; V363-I375 HydrophobicContact CG1-CG2 3.74Å; A367-I375 HydrophobicContact CB-CD1 3.92Å; A367-I375 HydrophobicContact CB-CG1 4.32Å; V372-I375 HydrophobicContact CG2-CG1 4.34Å; I375-I388 HydrophobicContact CB-CG2 4.44Å; I375-I388 HydrophobicContact CD1-CG2 3.88Å; I375-I388 HydrophobicContact CG2-CG1 4.39Å; I375-I388 HydrophobicContact CG2-CG2 3.92Å; I375-P393 HydrophobicContact CD1-CB 3.79Å; I375-P393 HydrophobicContact CD1-CG 3.66Å; I375-D396 PolarHBondContact N-O 3.28Å; I375-I397 CarbonylContact O-C 3.46Å; I375-I397 WeakPolarHBondContact O-CA 3.43Å; I375-I398 PolarHBondContact O-N 3.45Å; I375-I451 CarbonylContact C-O 3.5Å; I375-I451 VanDerWaalsContact CA-O 3.3Å; I375-I451 WeakPolarHBondContact CA-O 3.49Å; I375-I451 HydrophobicContact CG1-CB 4.45Å; I375-T453 HydrophobicContact CG2-CG2 4.11Å
376V98.1Very high96Very high0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-93.5104.6179-166.10000109I398 V400 A434 A438 I450 I451 I452 T453V376-I398 CarbonylContact C-O 3.53Å; V376-I398 WeakPolarHBondContact CA-O 3.36Å; V376-V400 HydrophobicContact CG1-CG2 3.51Å; V376-A434 HydrophobicContact CB-CB 4.21Å; V376-A434 HydrophobicContact CG1-CB 3.66Å; V376-A438 HydrophobicContact CG2-CB 3.81Å; V376-I450 HydrophobicContact CG2-CD1 4.24Å; V376-I451 PolarHBondContact N-O 3.05Å; V376-I452 HydrophobicContact CB-CG1 4.46Å; V376-I452 WeakPolarHBondContact O-CA 3.39Å; V376-T453 PolarHBondContact O-N 3.25Å
377A97.3Very high96Very high0 Ų033.5 Ų33.50%018%0.175CC..EExtended strand (participates in β ladder)trans-94.9100.3179.100000109.9T384 A385 I397 I398 A399 V400 T453A377-T384 HydrophobicContact CB-CG2 3.96Å; A377-A385 HydrophobicContact CB-CB 4.38Å; A377-I397 HydrophobicContact CB-CG2 4.3Å; A377-I398 PolarHBondContact N-O 2.97Å; A377-A399 CarbonylContact O-C 3.2Å; A377-A399 WeakPolarHBondContact O-CA 3.46Å; A377-V400 PolarHBondContact O-N 3.46Å; A377-T453 WeakPolarHBondContact CA-O 3.37Å; A377-T453 HydrophobicContact CB-CG2 4.23Å
378A95.2Very high96Very high14 Ų1433.5 Ų33.512%0.11618%0.175CC..EExtended strand (participates in β ladder)trans-76.1126.4173.100000109.6V400 L430 T453 A454A378-V400 WeakPolarHBondContact CA-O 3.48Å; A378-L430 HydrophobicContact CB-CD1 3.85Å; A378-L430 HydrophobicContact CB-CD2 3.82Å; A378-L430 HydrophobicContact CB-CG 3.96Å; A378-T453 PolarHBondContact N-O 3.05Å; A378-A454 HydrophobicContact CB-CB 4Å
379T94Very high96.1Very high10 Ų1030.7 Ų30.76%0.06116%0.16CC..  trans-152140.9-169.6-163.20000114G382 S383 A385 A399 V400 T401T379-G382 WeakPolarHBondContact OG1-CA 3.35Å; T379-G382 PolarHBondContact OG1-N 3.21Å; T379-S383 PolarHBondContact OG1-N 2.99Å; T379-A385 HydrophobicContact CG2-CB 4.49Å; T379-A399 HydrophobicContact CG2-CB 4.34Å; T379-V400 PolarHBondContact N-O 3.21Å; T379-T401 VanDerWaalsContact O-CA 3.27Å; T379-T401 WeakPolarHBondContact O-CA 3.27Å; T379-T401 WeakPolarHBondContact O-CB 3.3Å; T379-T401 PolarHBondContact O-OG1 2.93Å
380E92.2Very high96.1Very high83 Ų8325.8 Ų25.839%0.38813%0.133SC..SBendtrans-95.7-42174-69.2-179.3-151.600112.4P402 T406 G459 T461E380-P402 HydrophobicContact CG-CG 4.36Å; E380-T406 WeakPolarHBondContact O-CG2 3.48Å; E380-T406 PolarHBondContact O-OG1 2.94Å; E380-G459 WeakPolarHBondContact OE1-CA 3.35Å; E380-G459 PolarHBondContact OE1-N 3.4Å; E380-T461 HydrophobicContact CB-CG2 4.49Å
381S92Very high96.2Very high38 Ų3823.4 Ų23.427%0.26612%0.12SC..SBendtrans-108.32.5-179.365.30000114.6S383 R386S381-S383 VanDerWaalsContact C-N 3.26Å; S381-S383 PolarHBondContact O-N 3.23Å; S381-S383 PolarHBondContact OG-OG 2.99Å; S381-R386 PolarHBondContact O-NH1 2.89Å; S381-R386 PolarHBondContact O-NH2 3.34Å; S381-R386 VanDerWaalsContact O-NH2 3.16Å
382G95.2Very high96.4Very high0 Ų018 Ų180%09%0.091CC..SBendtrans82-4.2-177.900000114.5T379 T384 A385 R386T379-G382 WeakPolarHBondContact OG1-CA 3.35Å; T379-G382 PolarHBondContact OG1-N 3.21Å; G382-T384 PolarHBondContact O-N 2.9Å; G382-A385 WeakPolarHBondContact O-CB 3.42Å; G382-A385 PolarHBondContact O-N 3.11Å; G382-A385 VanDerWaalsContact O-N 3.14Å; G382-R386 PolarHBondContact O-N 3.37Å
383S94.5Very high96.5Very high25 Ų2518.2 Ų18.218%0.1759%0.092CC..Hα-helixtrans-60.5-44-176.161.10000112.8T379 S381 A385 R386 T387T379-S383 PolarHBondContact OG1-N 2.99Å; S381-S383 VanDerWaalsContact C-N 3.26Å; S381-S383 PolarHBondContact O-N 3.23Å; S381-S383 PolarHBondContact OG-OG 2.99Å; S383-A385 VanDerWaalsContact C-N 3.32Å; S383-A385 PolarHBondContact O-N 2.89Å; S383-R386 PolarHBondContact O-N 3.45Å; S383-T387 WeakPolarHBondContact O-CB 3.39Å; S383-T387 PolarHBondContact O-N 2.68Å; S383-T387 PolarHBondContact O-OG1 3.32Å; S383-T387 VanDerWaalsContact O-OG1 3.07Å
384T95.7Very high96.5Very high6 Ų618.8 Ų18.84%0.03710%0.096CC..Hα-helixtrans-57.2-44.4174-54.90000111.7A377 G382 R386 T387 I388 T453 T464A377-T384 HydrophobicContact CB-CG2 3.96Å; G382-T384 PolarHBondContact O-N 2.9Å; T384-R386 PolarHBondContact O-N 2.86Å; T384-T387 PolarHBondContact O-N 3.14Å; T384-I388 WeakPolarHBondContact O-CG1 3.26Å; T384-I388 PolarHBondContact O-N 2.97Å; T384-T453 HydrophobicContact CG2-CG2 3.95Å; T384-T464 WeakPolarHBondContact CA-OG1 3.34Å; T384-T464 WeakPolarHBondContact CB-OG1 3.3Å; T384-T464 HydrophobicContact CG2-CG2 3.78Å; T384-T464 PolarHBondContact OG1-OG1 3.44Å
385A97.5Very high96.5Very high0 Ų019.2 Ų19.20%010%0.099CC..Hα-helixtrans-63.4-41.7178.800000111.7A377 T379 G382 S383 I388 S389 A399 V416A377-A385 HydrophobicContact CB-CB 4.38Å; T379-A385 HydrophobicContact CG2-CB 4.49Å; G382-A385 WeakPolarHBondContact O-CB 3.42Å; G382-A385 PolarHBondContact O-N 3.11Å; G382-A385 VanDerWaalsContact O-N 3.14Å; S383-A385 VanDerWaalsContact C-N 3.32Å; S383-A385 PolarHBondContact O-N 2.89Å; A385-I388 PolarHBondContact O-N 2.95Å; A385-S389 WeakPolarHBondContact O-CB 3.26Å; A385-S389 PolarHBondContact O-N 3.16Å; A385-A399 HydrophobicContact CB-CB 3.87Å; A385-V416 HydrophobicContact CB-CG1 4.19Å; A385-V416 HydrophobicContact CB-CG2 4.16Å
386R97.4Very high96.5Very high64 Ų6420.1 Ų20.124%0.24210%0.104CC..Hα-helixtrans-65.5-39.4173.1-70.2-172.3-68.3-84.12.1112.3S381 G382 S383 T384 I388 S389 K390 V413S381-R386 PolarHBondContact O-NH1 2.89Å; S381-R386 PolarHBondContact O-NH2 3.34Å; S381-R386 VanDerWaalsContact O-NH2 3.16Å; G382-R386 PolarHBondContact O-N 3.37Å; S383-R386 PolarHBondContact O-N 3.45Å; T384-R386 PolarHBondContact O-N 2.86Å; R386-I388 VanDerWaalsContact C-N 3.35Å; R386-I388 PolarHBondContact O-N 3.36Å; R386-S389 PolarHBondContact O-N 3.36Å; R386-K390 PolarHBondContact O-N 2.82Å; R386-V413 HydrophobicContact CG-CG1 3.99Å; R386-V413 HydrophobicContact CG-CG2 3.8Å
387T96.7Very high96.5Very high10 Ų1020.1 Ų20.16%0.06110%0.104CC..Hα-helixtrans-60.8-41.8176-65.10000112V356 S383 T384 K390 Y391V356-T387 HydrophobicContact CG1-CG2 3.78Å; S383-T387 WeakPolarHBondContact O-CB 3.39Å; S383-T387 PolarHBondContact O-N 2.68Å; S383-T387 PolarHBondContact O-OG1 3.32Å; S383-T387 VanDerWaalsContact O-OG1 3.07Å; T384-T387 PolarHBondContact O-N 3.14Å; T387-K390 WeakPolarHBondContact O-CG 3.5Å; T387-Y391 WeakPolarHBondContact O-CD2 3.44Å
388I98Very high96.6Very high1 Ų120.4 Ų20.41%0.00511%0.105CC..Hα-helixtrans-73-42.2174.8-60.4-46.7000111.1V363 I375 T384 A385 R386 K390 Y391 P393 I397 T453V363-I388 HydrophobicContact CB-CD1 3.95Å; V363-I388 HydrophobicContact CG1-CD1 3.83Å; V363-I388 HydrophobicContact CG2-CD1 4.21Å; I375-I388 HydrophobicContact CB-CG2 4.44Å; I375-I388 HydrophobicContact CD1-CG2 3.88Å; I375-I388 HydrophobicContact CG2-CG1 4.39Å; I375-I388 HydrophobicContact CG2-CG2 3.92Å; T384-I388 WeakPolarHBondContact O-CG1 3.26Å; T384-I388 PolarHBondContact O-N 2.97Å; A385-I388 PolarHBondContact O-N 2.95Å; R386-I388 VanDerWaalsContact C-N 3.35Å; R386-I388 PolarHBondContact O-N 3.36Å; I388-K390 VanDerWaalsContact C-N 3.32Å; I388-K390 PolarHBondContact O-N 3.39Å; I388-Y391 PolarHBondContact O-N 3.37Å; I388-P393 HydrophobicContact CG2-CG 4.09Å; I388-P393 WeakPolarHBondContact O-CD 3.4Å; I388-I397 HydrophobicContact CB-CD1 4.4Å; I388-I397 HydrophobicContact CG2-CD1 3.77Å; I388-I397 HydrophobicContact CG2-CG1 3.94Å; I388-I397 HydrophobicContact CG2-CG2 4.39Å; I388-T453 HydrophobicContact CD1-CG2 3.99Å; I388-T453 HydrophobicContact CG1-CG2 3.78Å
389S98.4Very high96.7Very high1 Ų119.7 Ų19.71%0.00710%0.1CC..Hα-helixtrans-60-37.5-178.1178.30000113.3A385 R386 Y391 R392 V413 W414A385-S389 WeakPolarHBondContact O-CB 3.26Å; A385-S389 PolarHBondContact O-N 3.16Å; R386-S389 PolarHBondContact O-N 3.36Å; S389-Y391 PolarHBondContact O-N 2.91Å; S389-Y391 VanDerWaalsContact O-N 3.17Å; S389-R392 WeakPolarHBondContact O-CA 3.34Å; S389-R392 WeakPolarHBondContact O-CD 3.12Å; S389-R392 PolarHBondContact O-N 2.8Å; S389-R392 PolarHBondContact O-NH1 3.02Å; S389-R392 PolarHBondContact OG-NH1 3.47Å; S389-V413 WeakPolarHBondContact OG-CG1 3.26Å; S389-W414 WeakPolarHBondContact CB-O 3.41Å; S389-W414 PolarHBondContact OG-O 2.91Å
390K97.7Very high96.8Very high21 Ų2119.7 Ų19.79%0.09110%0.1CC..THydrogen-bonded Turntrans-62.5-24.3-178.982.7178.577.8-171.30113.7L269 R347 V351 R386 T387 I388 R392L269-K390 PolarHBondContact O-NZ 3.14Å; R347-K390 WeakPolarHBondContact CD-O 3.3Å; R347-K390 WeakPolarHBondContact CG-O 3.48Å; V351-K390 HydrophobicContact CG1-CD 4.1Å; V351-K390 HydrophobicContact CG2-CD 4.27Å; R386-K390 PolarHBondContact O-N 2.82Å; T387-K390 WeakPolarHBondContact O-CG 3.5Å; I388-K390 VanDerWaalsContact C-N 3.32Å; I388-K390 PolarHBondContact O-N 3.39Å; K390-R392 VanDerWaalsContact C-N 3.3Å
391Y98.2Very high97Very high0 Ų015.8 Ų15.80%08%0.081CC..THydrogen-bonded Turntrans-84.7-2.3175-68.8-73.8000113.9L344 R347 V351 N357 I361 A364 T387 I388 S389L344-Y391 HydrophobicContact CD1-CD1 4.28Å; R347-Y391 HydrophobicContact CB-CD1 4.13Å; V351-Y391 HydrophobicContact CB-CE1 4.49Å; N357-Y391 VanDerWaalsContact CB-OH 3.25Å; N357-Y391 WeakPolarHBondContact CB-OH 3.12Å; N357-Y391 PolarHBondContact O-OH 3.22Å; I361-Y391 HydrophobicContact CD1-CE1 4.32Å; I361-Y391 HydrophobicContact CG1-CD1 4.24Å; I361-Y391 HydrophobicContact CG1-CE1 3.4Å; I361-Y391 HydrophobicContact CG1-CE2 4.35Å; I361-Y391 VanDerWaalsContact CG1-CZ 3.48Å; I361-Y391 WeakPolarHBondContact CG1-OH 3.33Å; A364-Y391 HydrophobicContact CB-CG 4.31Å; T387-Y391 WeakPolarHBondContact O-CD2 3.44Å; I388-Y391 PolarHBondContact O-N 3.37Å; S389-Y391 PolarHBondContact O-N 2.91Å; S389-Y391 VanDerWaalsContact O-N 3.17Å
392R98.1Very high97.1Very high5 Ų517 Ų172%0.0199%0.089CC..  trans49.354.1173.4-58.8-67.3-169.6-111.59.8114.3N267 G304 D306 Y340 L343 S389 K390 W414N267-R392 PolarHBondContact OD1-NH2 3.07Å; G304-R392 PolarHBondContact O-NH2 2.8Å; D306-R392 IonicContact OD1-CZ 3.16Å; D306-R392 IonicContact OD1-NH1 2.68Å; D306-R392 PolarHBondContact OD1-NH1 2.9Å; D306-R392 IonicContact OD1-NH2 3.38Å; D306-R392 PolarHBondContact OD1-NH2 3.43Å; D306-R392 IonicContact OD2-CZ 2.88Å; D306-R392 IonicContact OD2-NH2 2.64Å; D306-R392 PolarHBondContact OD2-NH2 2.81Å; Y340-R392 WeakPolarHBondContact CD1-O 3.19Å; L343-R392 HydrophobicContact CB-CB 4.46Å; L343-R392 HydrophobicContact CD2-CB 4.16Å; S389-R392 WeakPolarHBondContact O-CA 3.34Å; S389-R392 WeakPolarHBondContact O-CD 3.12Å; S389-R392 PolarHBondContact O-N 2.8Å; S389-R392 PolarHBondContact O-NH1 3.02Å; S389-R392 PolarHBondContact OG-NH1 3.47Å; K390-R392 VanDerWaalsContact C-N 3.3Å; R392-W414 VanDerWaalsContact CA-CZ3 3.49Å; R392-W414 HydrophobicContact CB-CH2 4.02Å; R392-W414 HydrophobicContact CB-CZ2 4.42Å; R392-W414 HydrophobicContact CB-CZ3 4.12Å
393P98Very high97.1Very high8 Ų818.8 Ų18.85%0.05210%0.101CC..  trans-68.4152.117930.2-36.2000112.3I375 I388 S395 I397 W414I375-P393 HydrophobicContact CD1-CB 3.79Å; I375-P393 HydrophobicContact CD1-CG 3.66Å; I388-P393 HydrophobicContact CG2-CG 4.09Å; I388-P393 WeakPolarHBondContact O-CD 3.4Å; P393-S395 VanDerWaalsContact C-N 3.34Å; P393-I397 HydrophobicContact CG-CD1 4Å; P393-I397 HydrophobicContact CG-CG1 4.16Å; P393-W414 WeakPolarHBondContact O-CH2 3.47Å
394H96.8Very high97.2Very high109 Ų10922.2 Ų22.251%0.50511%0.114SC..SBendtrans-65.4-38.5172.4-174.1-173.3000111.5K3 Y340K3-H394 VanDerWaalsContact CE-O 3.31Å; K3-H394 WeakPolarHBondContact CE-O 3.25Å; K3-H394 PolarHBondContact NZ-O 3.34Å; Y340-H394 HydrophobicContact CD1-CB 4.13Å; Y340-H394 HydrophobicContact CD2-CB 3.61Å; Y340-H394 AromaticContact CD2-CD2 3.84Å; Y340-H394 AromaticContact CD2-CG 3.58Å; Y340-H394 HydrophobicContact CE2-CB 4.06Å; Y340-H394 AromaticContact CE2-CD2 3.5Å; Y340-H394 AromaticContact CE2-CG 3.76Å; Y340-H394 HydrophobicContact CG-CB 3.64Å
395S97.8Very high97.3Very high9 Ų924.1 Ų24.16%0.06312%0.123CC..SBendtrans-56147.8178.9-49.10000112.4K3 V372 P393K3-S395 VanDerWaalsContact NZ-C 3.31Å; K3-S395 PolarHBondContact NZ-O 2.98Å; V372-S395 WeakPolarHBondContact CG2-OG 3.38Å; V372-S395 WeakPolarHBondContact O-CB 3.47Å; V372-S395 PolarHBondContact O-OG 2.79Å; P393-S395 VanDerWaalsContact C-N 3.34Å
396D97.8Very high97.3Very high19 Ų1924.3 Ų24.310%0.10212%0.124CC..EExtended strand (participates in β ladder)trans-72.2131.9176.6-69.4-31.6000110.4M1 K3 K373 A374 I375 R443M1-D396 WeakPolarHBondContact CB-OD1 3.38Å; M1-D396 HydrophobicContact CE-CB 3.88Å; M1-D396 WeakPolarHBondContact CE-OD2 3.47Å; M1-D396 HydrophobicContact SD-CB 4.36Å; K3-D396 IonicContact NZ-OD1 2.56Å; K3-D396 PolarHBondContact NZ-OD1 3.23Å; K373-D396 PolarHBondContact O-N 2.9Å; A374-D396 CarbonylContact C-O 3.6Å; A374-D396 VanDerWaalsContact CA-O 3.27Å; A374-D396 WeakPolarHBondContact CA-O 3.14Å; I375-D396 PolarHBondContact N-O 3.28Å; D396-R443 HydrophobicContact CB-CG 4.48Å
397I98.5Very high97.3Very high0 Ų021.3 Ų21.30%011%0.112CC..EExtended strand (participates in β ladder)trans-94.8119.8179.4-53.4168.1000108I375 A377 I388 P393 G415 V416 Q417I375-I397 CarbonylContact O-C 3.46Å; I375-I397 WeakPolarHBondContact O-CA 3.43Å; A377-I397 HydrophobicContact CB-CG2 4.3Å; I388-I397 HydrophobicContact CB-CD1 4.4Å; I388-I397 HydrophobicContact CG2-CD1 3.77Å; I388-I397 HydrophobicContact CG2-CG1 3.94Å; I388-I397 HydrophobicContact CG2-CG2 4.39Å; P393-I397 HydrophobicContact CG-CD1 4Å; P393-I397 HydrophobicContact CG-CG1 4.16Å; I397-G415 PolarHBondContact N-O 2.75Å; I397-V416 HydrophobicContact CB-CG2 4.2Å; I397-V416 HydrophobicContact CD1-CG2 4.32Å; I397-V416 HydrophobicContact CG2-CG2 3.98Å; I397-V416 CarbonylContact O-C 3.58Å; I397-V416 WeakPolarHBondContact O-CA 3.24Å; I397-Q417 PolarHBondContact O-N 2.87Å
398I98.3Very high97.4Very high5 Ų522.3 Ų22.33%0.02612%0.115CC..EExtended strand (participates in β ladder)trans-106.3110176.8-58.2174.8000107.7A374 I375 V376 A377 V400 Q417 V419 A438 T441A374-I398 HydrophobicContact CB-CD1 4.04Å; I375-I398 PolarHBondContact O-N 3.45Å; V376-I398 CarbonylContact C-O 3.53Å; V376-I398 WeakPolarHBondContact CA-O 3.36Å; A377-I398 PolarHBondContact N-O 2.97Å; I398-V400 HydrophobicContact CG2-CG2 4.17Å; I398-Q417 WeakPolarHBondContact CA-O 3.44Å; I398-V419 HydrophobicContact CG2-CG2 3.76Å; I398-A438 HydrophobicContact CD1-CB 4.25Å; I398-T441 HydrophobicContact CD1-CG2 4.14Å; I398-T441 HydrophobicContact CG2-CG2 4.38Å
399A97.6Very high97.4Very high0 Ų022.7 Ų22.70%012%0.117CC..EExtended strand (participates in β ladder)trans-90.3107177.800000110.1A377 T379 A385 V416 Q417 P418 V419A377-A399 CarbonylContact O-C 3.2Å; A377-A399 WeakPolarHBondContact O-CA 3.46Å; T379-A399 HydrophobicContact CG2-CB 4.34Å; A385-A399 HydrophobicContact CB-CB 3.87Å; A399-V416 HydrophobicContact CB-CG1 3.44Å; A399-V416 VanDerWaalsContact CB-CG1 3.44Å; A399-Q417 PolarHBondContact N-O 3.21Å; A399-P418 CarbonylContact O-C 3.59Å; A399-P418 WeakPolarHBondContact O-CA 3.45Å; A399-V419 PolarHBondContact O-N 3.26Å
400V96.7Very high97.4Very high10 Ų1022.7 Ų22.76%0.06112%0.117CC..EExtended strand (participates in β ladder)trans-92.7116.4178-172.60000108.5V376 A377 A378 T379 I398 V419 K421 T437V376-V400 HydrophobicContact CG1-CG2 3.51Å; A377-V400 PolarHBondContact O-N 3.46Å; A378-V400 WeakPolarHBondContact CA-O 3.48Å; T379-V400 PolarHBondContact N-O 3.21Å; I398-V400 HydrophobicContact CG2-CG2 4.17Å; V400-V419 HydrophobicContact CB-CG2 4.25Å; V400-V419 HydrophobicContact CG1-CG2 4.45Å; V400-V419 HydrophobicContact CG2-CG2 3.77Å; V400-K421 HydrophobicContact CG1-CB 3.83Å; V400-K421 HydrophobicContact CG1-CG 3.98Å; V400-T437 HydrophobicContact CG2-CG2 3.87Å
401T95.8Very high97.4Very high0 Ų021.8 Ų21.80%011%0.113CC..EExtended strand (participates in β ladder)trans-135146.7-175.8-175.60000112.3T379 S403 A407 V419 V420 K421T379-T401 VanDerWaalsContact O-CA 3.27Å; T379-T401 WeakPolarHBondContact O-CA 3.27Å; T379-T401 WeakPolarHBondContact O-CB 3.3Å; T379-T401 PolarHBondContact O-OG1 2.93Å; T401-S403 VanDerWaalsContact C-N 3.34Å; T401-S403 WeakPolarHBondContact CG2-O 3.43Å; T401-S403 PolarHBondContact OG1-N 3.25Å; T401-A407 HydrophobicContact CG2-CB 3.65Å; T401-V419 PolarHBondContact N-O 2.79Å; T401-V420 CarbonylContact O-C 3.59Å; T401-V420 VanDerWaalsContact O-CA 3.26Å; T401-V420 WeakPolarHBondContact O-CA 3.42Å; T401-K421 PolarHBondContact O-N 3.42Å
402P94.4Very high97.5Very high65 Ų6521.8 Ų21.842%0.42211%0.113SC..SBendtrans-78.7-16.5169.432.3-35.2000113.6E380 K421E380-P402 HydrophobicContact CG-CG 4.36Å; P402-K421 VanDerWaalsContact CA-O 3.26Å; P402-K421 WeakPolarHBondContact CA-O 3.5Å
403S95.5Very high97.5Very high36 Ų3621.7 Ų21.725%0.25211%0.113SC..  trans-98.1120.5-174.9175.90000111.7T401 E405 T406 A407T401-S403 VanDerWaalsContact C-N 3.34Å; T401-S403 WeakPolarHBondContact CG2-O 3.43Å; T401-S403 PolarHBondContact OG1-N 3.25Å; S403-E405 VanDerWaalsContact C-N 3.27Å; S403-E405 PolarHBondContact O-N 3.12Å; S403-E405 PolarHBondContact OG-N 3.47Å; S403-T406 WeakPolarHBondContact CB-OG1 3.43Å; S403-T406 PolarHBondContact O-N 3.03Å; S403-T406 PolarHBondContact OG-N 3.43Å; S403-T406 PolarHBondContact OG-OG1 3.42Å; S403-A407 WeakPolarHBondContact O-CB 3.2Å; S403-A407 PolarHBondContact O-N 3.36Å
404E96.7Very high97.5Very high97 Ų9721.5 Ų21.545%0.45311%0.111SC..Hα-helixtrans-59.8-37.1171.9-80-107.5-152.800112K55 A407 R408 V420K55-E404 IonicContact NZ-OE1 2.76Å; E404-A407 WeakPolarHBondContact O-CB 3.29Å; E404-A407 PolarHBondContact O-N 2.67Å; E404-R408 WeakPolarHBondContact O-CG 3.25Å; E404-R408 PolarHBondContact O-N 3.33Å; E404-R408 VanDerWaalsContact O-N 3.12Å; E404-R408 PolarHBondContact O-NH1 2.72Å; E404-V420 HydrophobicContact CG-CG1 4.26Å; E404-V420 HydrophobicContact CG-CG2 4.31Å
405E97.2Very high97.6Very high47 Ų4716.3 Ų16.322%0.229%0.087CC..Hα-helixtrans-66-49.1176.7177.5-174.9-139.300111.5N213 S403 A407 R408 Q409N213-E405 WeakPolarHBondContact CB-OE1 3.46Å; N213-E405 VanDerWaalsContact ND2-CD 3.29Å; N213-E405 PolarHBondContact ND2-OE2 3.06Å; N213-E405 VanDerWaalsContact O-OE1 3.05Å; S403-E405 VanDerWaalsContact C-N 3.27Å; S403-E405 PolarHBondContact O-N 3.12Å; S403-E405 PolarHBondContact OG-N 3.47Å; E405-A407 PolarHBondContact O-N 3.42Å; E405-R408 CarbonylContact O-C 3.53Å; E405-R408 WeakPolarHBondContact O-CA 3.35Å; E405-R408 WeakPolarHBondContact O-CB 3.33Å; E405-R408 PolarHBondContact O-N 2.87Å; E405-Q409 PolarHBondContact O-N 2.94Å
406T96.9Very high97.7Very high4 Ų415.9 Ų15.93%0.0258%0.084CC..Hα-helixtrans-63-34.4177.4-57.60000111.7E380 S403 R408 Q409 C410E380-T406 WeakPolarHBondContact O-CG2 3.48Å; E380-T406 PolarHBondContact O-OG1 2.94Å; S403-T406 WeakPolarHBondContact CB-OG1 3.43Å; S403-T406 PolarHBondContact O-N 3.03Å; S403-T406 PolarHBondContact OG-N 3.43Å; S403-T406 PolarHBondContact OG-OG1 3.42Å; T406-R408 VanDerWaalsContact C-N 3.31Å; T406-R408 PolarHBondContact O-N 3.24Å; T406-Q409 PolarHBondContact O-N 3.32Å; T406-C410 PolarHBondContact O-N 3.12Å; T406-C410 PolarHBondContact O-SG 3.36Å
407A98.3Very high97.6Very high0 Ų017.7 Ų17.70%09%0.092CC..Hα-helixtrans-60.5-43173.200000111.2I60 T401 S403 E404 E405 C410 S411 P418 V420I60-A407 HydrophobicContact CD1-CB 3.72Å; I60-A407 HydrophobicContact CG2-CB 4.34Å; T401-A407 HydrophobicContact CG2-CB 3.65Å; S403-A407 WeakPolarHBondContact O-CB 3.2Å; S403-A407 PolarHBondContact O-N 3.36Å; E404-A407 WeakPolarHBondContact O-CB 3.29Å; E404-A407 PolarHBondContact O-N 2.67Å; E405-A407 PolarHBondContact O-N 3.42Å; A407-C410 PolarHBondContact O-N 3.13Å; A407-S411 PolarHBondContact O-N 3.02Å; A407-P418 HydrophobicContact CB-CB 4.05Å; A407-P418 WeakPolarHBondContact O-CB 3.19Å; A407-P418 VanDerWaalsContact O-CG 3.25Å; A407-P418 WeakPolarHBondContact O-CG 3.33Å; A407-V420 HydrophobicContact CB-CG2 3.57Å
408R98.6Very high97.6Very high32 Ų3218.5 Ų18.512%0.12110%0.098CC..Hα-helixtrans-66-40.3172.4-68.2-170.8-49.5-82.8-6.1111.9I60 V61 A62 D187 E404 E405 T406 C410 S411I60-R408 HydrophobicContact CG2-CB 4.4Å; I60-R408 HydrophobicContact CG2-CG 3.74Å; V61-R408 WeakPolarHBondContact O-CD 3.43Å; A62-R408 HydrophobicContact CB-CB 3.93Å; A62-R408 WeakPolarHBondContact CB-O 3.28Å; D187-R408 HydrophobicContact CB-CB 4.38Å; D187-R408 VanDerWaalsContact CG-NE 3.28Å; D187-R408 WeakPolarHBondContact OD1-CB 3.14Å; D187-R408 IonicContact OD1-CZ 3.62Å; D187-R408 IonicContact OD1-NE 2.72Å; D187-R408 PolarHBondContact OD1-NE 3.15Å; D187-R408 IonicContact OD1-NH2 3.64Å; D187-R408 PolarHBondContact OD1-NH2 2.56Å; D187-R408 WeakPolarHBondContact OD2-CD 3.36Å; D187-R408 IonicContact OD2-NE 3.55Å; D187-R408 PolarHBondContact OD2-NE 3.05Å; D187-R408 VanDerWaalsContact OD2-NE 3.16Å; E404-R408 WeakPolarHBondContact O-CG 3.25Å; E404-R408 PolarHBondContact O-N 3.33Å; E404-R408 VanDerWaalsContact O-N 3.12Å; E404-R408 PolarHBondContact O-NH1 2.72Å; E405-R408 CarbonylContact O-C 3.53Å; E405-R408 WeakPolarHBondContact O-CA 3.35Å; E405-R408 WeakPolarHBondContact O-CB 3.33Å; E405-R408 PolarHBondContact O-N 2.87Å; T406-R408 VanDerWaalsContact C-N 3.31Å; T406-R408 PolarHBondContact O-N 3.24Å; R408-C410 VanDerWaalsContact C-N 3.26Å; R408-C410 PolarHBondContact O-N 3.31Å; R408-S411 WeakPolarHBondContact O-CB 3.5Å; R408-S411 PolarHBondContact O-N 3.48Å; R408-S411 PolarHBondContact O-OG 3.5Å
409Q98.5Very high97.5Very high9 Ų919.9 Ų19.94%0.04211%0.106CC..Hα-helixtrans-61.1-32.4173-69.5178-2300112.9F188 N213 S215 E405 T406 S411F188-Q409 HydrophobicContact CZ-CB 4.46Å; N213-Q409 PolarHBondContact O-NE2 3.11Å; S215-Q409 PolarHBondContact OG-NE2 3.45Å; E405-Q409 PolarHBondContact O-N 2.94Å; T406-Q409 PolarHBondContact O-N 3.32Å; Q409-S411 VanDerWaalsContact C-N 3.28Å; Q409-S411 PolarHBondContact O-N 2.9Å
410C98.5Very high97.5Very high0 Ų022.4 Ų22.40%012%0.122CC..Hα-helixtrans-74-15.7173.4-760000113.7K5 T406 A407 R408 I412 V413 V416 P418K5-C410 PolarHBondContact NZ-O 2.97Å; K5-C410 VanDerWaalsContact NZ-O 3.07Å; T406-C410 PolarHBondContact O-N 3.12Å; T406-C410 PolarHBondContact O-SG 3.36Å; A407-C410 PolarHBondContact O-N 3.13Å; R408-C410 VanDerWaalsContact C-N 3.26Å; R408-C410 PolarHBondContact O-N 3.31Å; C410-I412 PolarHBondContact O-N 3.43Å; C410-I412 VanDerWaalsContact O-N 3.16Å; C410-V413 PolarHBondContact O-N 2.65Å; C410-V416 HydrophobicContact CB-CG1 3.94Å; C410-P418 HydrophobicContact CB-CB 3.92Å; C410-P418 HydrophobicContact CB-CG 4.24Å
411S98.5Very high97.4Very high2 Ų225 Ų251%0.01413%0.132CC..THydrogen-bonded Turntrans-62.9-22.5-178.374.10000113K5 N29 A62 A407 R408 Q409K5-S411 VanDerWaalsContact CD-O 3.26Å; K5-S411 WeakPolarHBondContact CD-O 3.26Å; K5-S411 WeakPolarHBondContact CG-O 3.43Å; K5-S411 VanDerWaalsContact NZ-C 3.33Å; K5-S411 PolarHBondContact NZ-O 2.92Å; N29-S411 PolarHBondContact O-OG 2.88Å; A62-S411 WeakPolarHBondContact CB-OG 3.49Å; A407-S411 PolarHBondContact O-N 3.02Å; R408-S411 WeakPolarHBondContact O-CB 3.5Å; R408-S411 PolarHBondContact O-N 3.48Å; R408-S411 PolarHBondContact O-OG 3.5Å; Q409-S411 VanDerWaalsContact C-N 3.28Å; Q409-S411 PolarHBondContact O-N 2.9Å
412I98.8Very high97.2Very high1 Ų133.7 Ų33.71%0.00517%0.17CC..THydrogen-bonded Turntrans-93.4-16.9178.1-150165.8000114.5K5 V7 V30 F188 F217 P272 I274 A307 C410K5-I412 WeakPolarHBondContact CG-O 3.46Å; V7-I412 HydrophobicContact CG2-CD1 4.38Å; V30-I412 HydrophobicContact CG2-CB 4.06Å; V30-I412 HydrophobicContact CG2-CD1 4.15Å; V30-I412 HydrophobicContact CG2-CG1 4.02Å; F188-I412 HydrophobicContact CE1-CG2 3.81Å; F188-I412 HydrophobicContact CE2-CB 4.2Å; F188-I412 HydrophobicContact CE2-CD1 4.4Å; F188-I412 HydrophobicContact CE2-CG2 4.31Å; F188-I412 HydrophobicContact CZ-CB 3.84Å; F188-I412 HydrophobicContact CZ-CD1 4.41Å; F188-I412 HydrophobicContact CZ-CG2 3.47Å; F188-I412 VanDerWaalsContact CZ-CG2 3.47Å; F217-I412 HydrophobicContact CE1-CD1 4.04Å; F217-I412 HydrophobicContact CZ-CD1 4.26Å; F217-I412 HydrophobicContact CZ-CG2 4.08Å; P272-I412 HydrophobicContact CB-CG2 4.04Å; P272-I412 HydrophobicContact CG-CG2 4.25Å; I274-I412 HydrophobicContact CD1-CD1 3.51Å; I274-I412 HydrophobicContact CG1-CD1 3.76Å; I274-I412 HydrophobicContact CG1-CG1 4.44Å; A307-I412 HydrophobicContact CB-CG1 3.95Å; C410-I412 PolarHBondContact O-N 3.43Å; C410-I412 VanDerWaalsContact O-N 3.16Å
413V98.8Very high96.7Very high2 Ų233.2 Ų33.21%0.01218%0.176CC..SBendtrans-76.7132.2-175-1770000110.9K5 P272 R386 S389 C410 G415 V416K5-V413 WeakPolarHBondContact CE-O 3.24Å; K5-V413 PolarHBondContact NZ-O 3.29Å; P272-V413 HydrophobicContact CG-CG2 3.89Å; R386-V413 HydrophobicContact CG-CG1 3.99Å; R386-V413 HydrophobicContact CG-CG2 3.8Å; S389-V413 WeakPolarHBondContact OG-CG1 3.26Å; C410-V413 PolarHBondContact O-N 2.65Å; V413-G415 PolarHBondContact O-N 3.08Å; V413-V416 HydrophobicContact CB-CB 4.28Å; V413-V416 HydrophobicContact CB-CG2 3.99Å; V413-V416 HydrophobicContact CG1-CB 4.48Å; V413-V416 HydrophobicContact CG1-CG2 3.66Å; V413-V416 PolarHBondContact O-N 3.34Å
414W98.8Very high96.3Very high4 Ų437.5 Ų37.52%0.01519%0.187CC..THydrogen-bonded Turntrans-53.5133.4-176.4-17695.2000112.8K3 D306 Y340 S389 R392 P393 V416K3-W414 HydrophobicContact CB-CD2 3.89Å; K3-W414 HydrophobicContact CB-CE3 4.48Å; K3-W414 HydrophobicContact CB-CG 4.38Å; K3-W414 HydrophobicContact CB-CH2 4.11Å; K3-W414 HydrophobicContact CB-CZ2 3.48Å; K3-W414 VanDerWaalsContact CB-CZ2 3.48Å; K3-W414 HydrophobicContact CD-CH2 4.01Å; K3-W414 HydrophobicContact CD-CZ2 4.22Å; K3-W414 HydrophobicContact CD-CZ3 4.31Å; K3-W414 HydrophobicContact CG-CH2 3.91Å; K3-W414 HydrophobicContact CG-CZ2 3.61Å; D306-W414 HydrophobicContact CB-CB 4.07Å; D306-W414 WeakPolarHBondContact OD1-CB 3.27Å; D306-W414 PolarHBondContact OD1-N 2.95Å; Y340-W414 AromaticContact CE1-CH2 3.81Å; Y340-W414 HydrophobicContact CE1-CH2 3.81Å; Y340-W414 HydrophobicContact CE1-CZ2 4.01Å; S389-W414 WeakPolarHBondContact CB-O 3.41Å; S389-W414 PolarHBondContact OG-O 2.91Å; R392-W414 VanDerWaalsContact CA-CZ3 3.49Å; R392-W414 HydrophobicContact CB-CH2 4.02Å; R392-W414 HydrophobicContact CB-CZ2 4.42Å; R392-W414 HydrophobicContact CB-CZ3 4.12Å; P393-W414 WeakPolarHBondContact O-CH2 3.47Å; W414-V416 PolarHBondContact O-N 2.74Å
415G98.3Very high95.7Very high0 Ų042.3 Ų42.30%021%0.206CC..THydrogen-bonded Turntrans71.9-8172.100000116.2K3 I397 V413K3-G415 PolarHBondContact O-N 3.3Å; I397-G415 PolarHBondContact N-O 2.75Å; V413-G415 PolarHBondContact O-N 3.08Å
416V98.6Very high95.3Very high0 Ų042.9 Ų42.90%022%0.216CC..EExtended strand (participates in β ladder)trans-85.4127-176.6-179.20000111.6K5 A385 I397 A399 C410 V413 W414K5-V416 WeakPolarHBondContact CE-O 3.47Å; K5-V416 PolarHBondContact NZ-O 3.43Å; A385-V416 HydrophobicContact CB-CG1 4.19Å; A385-V416 HydrophobicContact CB-CG2 4.16Å; I397-V416 HydrophobicContact CB-CG2 4.2Å; I397-V416 HydrophobicContact CD1-CG2 4.32Å; I397-V416 HydrophobicContact CG2-CG2 3.98Å; I397-V416 CarbonylContact O-C 3.58Å; I397-V416 WeakPolarHBondContact O-CA 3.24Å; A399-V416 HydrophobicContact CB-CG1 3.44Å; A399-V416 VanDerWaalsContact CB-CG1 3.44Å; C410-V416 HydrophobicContact CB-CG1 3.94Å; V413-V416 HydrophobicContact CB-CB 4.28Å; V413-V416 HydrophobicContact CB-CG2 3.99Å; V413-V416 HydrophobicContact CG1-CB 4.48Å; V413-V416 HydrophobicContact CG1-CG2 3.66Å; V413-V416 PolarHBondContact O-N 3.34Å; W414-V416 PolarHBondContact O-N 2.74Å
417Q97.6Very high95Very high57 Ų5745.2 Ų45.227%0.26623%0.23SC..EExtended strand (participates in β ladder)trans-109.4102.7168.9-56.4-57.9-37.500108.6M1 I397 I398 A399M1-Q417 HydrophobicContact CE-CG 4.05Å; M1-Q417 HydrophobicContact SD-CG 3.47Å; M1-Q417 WeakPolarHBondContact SD-CG 3.5Å; M1-Q417 PolarHBondContact SD-NE2 3.09Å; I397-Q417 PolarHBondContact O-N 2.87Å; I398-Q417 WeakPolarHBondContact CA-O 3.44Å; A399-Q417 PolarHBondContact N-O 3.21Å
418P97.9Very high94.6Very high18 Ų1850.7 Ų50.712%0.11726%0.259CS..EExtended strand (participates in β ladder)trans-77.5145.8-177.629.6-32.1000111.9I60 A399 A407 C410I60-P418 HydrophobicContact CB-CG 4.41Å; I60-P418 HydrophobicContact CD1-CB 4.23Å; I60-P418 HydrophobicContact CD1-CG 4.11Å; I60-P418 HydrophobicContact CG2-CG 4.21Å; A399-P418 CarbonylContact O-C 3.59Å; A399-P418 WeakPolarHBondContact O-CA 3.45Å; A407-P418 HydrophobicContact CB-CB 4.05Å; A407-P418 WeakPolarHBondContact O-CB 3.19Å; A407-P418 VanDerWaalsContact O-CG 3.25Å; A407-P418 WeakPolarHBondContact O-CG 3.33Å; C410-P418 HydrophobicContact CB-CB 3.92Å; C410-P418 HydrophobicContact CB-CG 4.24Å
419V96.9Very high94.2Very high34 Ų3450.8 Ų50.821%0.20627%0.267CS..EExtended strand (participates in β ladder)trans-139.7133.1175.1-67.40000109.5I398 A399 V400 T401 T437 T441I398-V419 HydrophobicContact CG2-CG2 3.76Å; A399-V419 PolarHBondContact O-N 3.26Å; V400-V419 HydrophobicContact CB-CG2 4.25Å; V400-V419 HydrophobicContact CG1-CG2 4.45Å; V400-V419 HydrophobicContact CG2-CG2 3.77Å; T401-V419 PolarHBondContact N-O 2.79Å; V419-T437 HydrophobicContact CB-CG2 4.21Å; V419-T437 HydrophobicContact CG2-CG2 3.39Å; V419-T441 HydrophobicContact CG1-CG2 4.21Å
420V97.2Very high93.8Very high53 Ų5351.1 Ų51.132%0.32127%0.269SS..EExtended strand (participates in β ladder)trans-92.3118.7-178.8-177.70000109.6I60 T401 E404 A407I60-V420 HydrophobicContact CD1-CG2 4.17Å; T401-V420 CarbonylContact O-C 3.59Å; T401-V420 VanDerWaalsContact O-CA 3.26Å; T401-V420 WeakPolarHBondContact O-CA 3.42Å; E404-V420 HydrophobicContact CG-CG1 4.26Å; E404-V420 HydrophobicContact CG-CG2 4.31Å; A407-V420 HydrophobicContact CB-CG2 3.57Å
421K94.8Very high93.5Very high64 Ų6451.8 Ų51.828%0.27827%0.272SS..  trans-134145.2175-66.3-66.1-174.3-178.80109.8V400 T401 P402 G423 T437 E440V400-K421 HydrophobicContact CG1-CB 3.83Å; V400-K421 HydrophobicContact CG1-CG 3.98Å; T401-K421 PolarHBondContact O-N 3.42Å; P402-K421 VanDerWaalsContact CA-O 3.26Å; P402-K421 WeakPolarHBondContact CA-O 3.5Å; K421-G423 PolarHBondContact O-N 2.92Å; K421-T437 HydrophobicContact CG-CG2 4.12Å; K421-E440 VanDerWaalsContact CE-OE2 3.26Å; K421-E440 WeakPolarHBondContact CE-OE2 3.46Å; K421-E440 IonicContact NZ-OE2 2.8Å; K421-E440 PolarHBondContact NZ-OE2 3.21Å
422K90.7Very high93.1Very high183 Ų18356.8 Ų56.880%0.79630%0.299SS*.  trans-57.1135.1178.2-65.5-171.5178.8-177.20110.5
423G83.9Confident92.7Very high54 Ų5458 Ų5856%0.55731%0.305SS*.  trans-59147.2-179.200000112.9K421K421-G423 PolarHBondContact O-N 2.92Å
424R86.6Confident92.4Very high126 Ų12657.9 Ų57.948%0.47531%0.305SS..  trans-120.9137.9178.4-56.7-59.9-175.31703.9108.7A429 L430 N433 T458R424-A429 HydrophobicContact CB-CB 3.93Å; R424-A429 HydrophobicContact CG-CB 4.29Å; R424-L430 HydrophobicContact CB-CB 4.44Å; R424-N433 HydrophobicContact CG-CB 4.04Å; R424-T458 PolarHBondContact O-OG1 3.15Å
425K84.9Confident92.1Very high199 Ų19958.8 Ų58.887%0.86531%0.311SS*.SBendtrans-86.3-39.8-173.6-65.7-174176.3-174.50114T458K425-T458 PolarHBondContact O-OG1 2.7Å
426S89.2Confident91.8Very high59 Ų5960.8 Ų60.841%0.41333%0.327SS..SBendtrans-91145.6179.859.30000110.5D428 A429 L430S426-D428 VanDerWaalsContact C-N 3.31Å; S426-D428 PolarHBondContact O-N 2.94Å; S426-A429 PolarHBondContact O-N 2.9Å; S426-A429 WeakPolarHBondContact OG-CB 3.37Å; S426-A429 PolarHBondContact OG-N 2.87Å; S426-L430 PolarHBondContact O-N 2.88Å
427T90.1Very high91.5Very high52 Ų5260.9 Ų60.932%0.31933%0.328SS..Hα-helixtrans-52.8-45.3174.1-540000112.3A429 L430 L431 V456T427-A429 PolarHBondContact O-N 3.02Å; T427-L430 WeakPolarHBondContact O-CA 3.44Å; T427-L430 WeakPolarHBondContact O-CB 3.43Å; T427-L430 PolarHBondContact O-N 2.74Å; T427-L430 VanDerWaalsContact O-N 3.08Å; T427-L431 HydrophobicContact CG2-CD1 4.08Å; T427-L431 HydrophobicContact CG2-CG 4.22Å; T427-L431 VanDerWaalsContact O-CG 3.31Å; T427-L431 WeakPolarHBondContact O-CG 3.44Å; T427-L431 PolarHBondContact O-N 2.91Å; T427-V456 HydrophobicContact CG2-CG1 4.15Å
428D89.5Confident91.4Very high115 Ų11558.2 Ų58.262%0.61532%0.315SS*.Hα-helixtrans-59.8-45.5179.9-63.2-64.5000112.8S426 L430 L431 N432S426-D428 VanDerWaalsContact C-N 3.31Å; S426-D428 PolarHBondContact O-N 2.94Å; D428-L430 VanDerWaalsContact C-N 3.31Å; D428-L430 PolarHBondContact O-N 2.7Å; D428-L431 PolarHBondContact O-N 2.86Å; D428-N432 WeakPolarHBondContact O-CB 3.42Å; D428-N432 PolarHBondContact O-N 3.17Å
429A90.1Very high91.1Very high34 Ų3460.2 Ų60.228%0.28133%0.327SS..Hα-helixtrans-64-35.5175.300000112.5R424 S426 T427 N433R424-A429 HydrophobicContact CB-CB 3.93Å; R424-A429 HydrophobicContact CG-CB 4.29Å; S426-A429 PolarHBondContact O-N 2.9Å; S426-A429 WeakPolarHBondContact OG-CB 3.37Å; S426-A429 PolarHBondContact OG-N 2.87Å; T427-A429 PolarHBondContact O-N 3.02Å; A429-N433 WeakPolarHBondContact O-CB 3.25Å; A429-N433 PolarHBondContact O-N 3.05Å
430L91.1Very high90.9Very high17 Ų1764.5 Ų64.59%0.08935%0.345CS..Hα-helixtrans-64.1-47.4173.2178.3156.8000110.9A378 R424 S426 T427 D428 N433 A434 I452 A454 T458A378-L430 HydrophobicContact CB-CD1 3.85Å; A378-L430 HydrophobicContact CB-CD2 3.82Å; A378-L430 HydrophobicContact CB-CG 3.96Å; R424-L430 HydrophobicContact CB-CB 4.44Å; S426-L430 PolarHBondContact O-N 2.88Å; T427-L430 WeakPolarHBondContact O-CA 3.44Å; T427-L430 WeakPolarHBondContact O-CB 3.43Å; T427-L430 PolarHBondContact O-N 2.74Å; T427-L430 VanDerWaalsContact O-N 3.08Å; D428-L430 VanDerWaalsContact C-N 3.31Å; D428-L430 PolarHBondContact O-N 2.7Å; L430-N433 PolarHBondContact O-N 2.83Å; L430-A434 WeakPolarHBondContact O-CB 3.38Å; L430-A434 PolarHBondContact O-N 3.47Å; L430-I452 HydrophobicContact CD2-CG2 4.42Å; L430-A454 HydrophobicContact CD1-CB 4.22Å; L430-A454 HydrophobicContact CD2-CB 4.06Å; L430-T458 HydrophobicContact CD1-CG2 3.43Å; L430-T458 VanDerWaalsContact CD1-CG2 3.43Å
431L91Very high90.7Very high14 Ų1464.1 Ų64.17%0.07334%0.343CS..Hα-helixtrans-61.1-48.5179.7-66.8175.2000111.1T427 D428 N433 A434 V435 I452 M466 K468T427-L431 HydrophobicContact CG2-CD1 4.08Å; T427-L431 HydrophobicContact CG2-CG 4.22Å; T427-L431 VanDerWaalsContact O-CG 3.31Å; T427-L431 WeakPolarHBondContact O-CG 3.44Å; T427-L431 PolarHBondContact O-N 2.91Å; D428-L431 PolarHBondContact O-N 2.86Å; L431-N433 VanDerWaalsContact C-N 3.33Å; L431-N433 PolarHBondContact O-N 3.45Å; L431-A434 WeakPolarHBondContact O-CB 3.45Å; L431-A434 PolarHBondContact O-N 2.84Å; L431-A434 VanDerWaalsContact O-N 3.16Å; L431-V435 WeakPolarHBondContact O-CG2 3.37Å; L431-V435 PolarHBondContact O-N 3.33Å; L431-I452 HydrophobicContact CB-CD1 4.5Å; L431-I452 HydrophobicContact CD2-CB 4.12Å; L431-I452 HydrophobicContact CD2-CD1 4.1Å; L431-I452 HydrophobicContact CD2-CG2 3.68Å; L431-M466 HydrophobicContact CD2-CE 4.19Å; L431-M466 HydrophobicContact CD2-SD 4.4Å; L431-K468 HydrophobicContact CD1-CD 3.81Å; L431-K468 HydrophobicContact CD2-CB 4.32Å; L431-K468 HydrophobicContact CD2-CD 4.03Å; L431-K468 HydrophobicContact CG-CD 4.43Å
432N89.8Confident90.5Very high106 Ų10664.3 Ų64.357%0.56736%0.363SS*.Hα-helixtrans-63.6-40.1178.3-68.5-15.8000111.7D428 A434 V435 A436D428-N432 WeakPolarHBondContact O-CB 3.42Å; D428-N432 PolarHBondContact O-N 3.17Å; N432-A434 VanDerWaalsContact C-N 3.31Å; N432-A434 PolarHBondContact O-N 3.39Å; N432-V435 PolarHBondContact O-N 2.98Å; N432-A436 WeakPolarHBondContact O-CB 3.42Å; N432-A436 PolarHBondContact O-N 2.87Å
433N91.5Very high90.5Very high26 Ų2660.7 Ų60.714%0.13934%0.344CS..Hα-helixtrans-64.8-35.9175.3-172.779.6000111.9R424 A429 L430 L431 T437R424-N433 HydrophobicContact CG-CB 4.04Å; A429-N433 WeakPolarHBondContact O-CB 3.25Å; A429-N433 PolarHBondContact O-N 3.05Å; L430-N433 PolarHBondContact O-N 2.83Å; L431-N433 VanDerWaalsContact C-N 3.33Å; L431-N433 PolarHBondContact O-N 3.45Å; N433-T437 VanDerWaalsContact O-CB 3.24Å; N433-T437 WeakPolarHBondContact O-CB 3.29Å; N433-T437 PolarHBondContact O-N 3.39Å; N433-T437 PolarHBondContact O-OG1 3.34Å
434A92.8Very high90.9Very high1 Ų158.4 Ų58.41%0.00832%0.319CS..Hα-helixtrans-64.2-44.4175.500000111.7V376 L430 L431 N432 T437 A438 I452V376-A434 HydrophobicContact CB-CB 4.21Å; V376-A434 HydrophobicContact CG1-CB 3.66Å; L430-A434 WeakPolarHBondContact O-CB 3.38Å; L430-A434 PolarHBondContact O-N 3.47Å; L431-A434 WeakPolarHBondContact O-CB 3.45Å; L431-A434 PolarHBondContact O-N 2.84Å; L431-A434 VanDerWaalsContact O-N 3.16Å; N432-A434 VanDerWaalsContact C-N 3.31Å; N432-A434 PolarHBondContact O-N 3.39Å; A434-T437 PolarHBondContact O-N 3.22Å; A434-A438 WeakPolarHBondContact O-CB 2.8Å; A434-A438 PolarHBondContact O-N 2.86Å; A434-I452 HydrophobicContact CB-CD1 4.07Å; A434-I452 HydrophobicContact CB-CG1 4.05Å; A434-I452 HydrophobicContact CB-CG2 3.7Å
435V91.9Very high90.9Very high23 Ų2355.8 Ų55.814%0.13932%0.32CS..Hα-helixtrans-60.5-54174.5-179.70000110.6L431 N432 T437 A438 V439 I450 I452 H470L431-V435 WeakPolarHBondContact O-CG2 3.37Å; L431-V435 PolarHBondContact O-N 3.33Å; N432-V435 PolarHBondContact O-N 2.98Å; V435-T437 VanDerWaalsContact C-N 3.28Å; V435-T437 PolarHBondContact O-N 2.84Å; V435-A438 WeakPolarHBondContact O-CB 3.36Å; V435-A438 PolarHBondContact O-N 3.43Å; V435-A438 VanDerWaalsContact O-N 3.12Å; V435-V439 PolarHBondContact O-N 3.38Å; V435-V439 VanDerWaalsContact O-N 3.11Å; V435-I450 HydrophobicContact CG2-CD1 4.14Å; V435-I452 HydrophobicContact CG2-CD1 3.84Å; V435-H470 VanDerWaalsContact CG2-CD2 3.43Å; V435-H470 WeakPolarHBondContact CG2-CD2 3.33Å
436A91Very high90.9Very high42 Ų4249.2 Ų49.235%0.34730%0.295SS..Hα-helixtrans-56.5-44.9-179.800000111.5N432 A438 V439 E440N432-A436 WeakPolarHBondContact O-CB 3.42Å; N432-A436 PolarHBondContact O-N 2.87Å; A436-A438 PolarHBondContact O-N 3.12Å; A436-V439 PolarHBondContact O-N 3.49Å; A436-E440 WeakPolarHBondContact O-CB 3.13Å; A436-E440 VanDerWaalsContact O-CG 3.24Å; A436-E440 WeakPolarHBondContact O-CG 3.29Å; A436-E440 PolarHBondContact O-N 3.23Å
437T93.9Very high90.6Very high2 Ų246.6 Ų46.61%0.01228%0.277CS..Hα-helixtrans-64.5-40.6179.2-55.50000112V400 V419 K421 N433 A434 V435 V439 E440 T441V400-T437 HydrophobicContact CG2-CG2 3.87Å; V419-T437 HydrophobicContact CB-CG2 4.21Å; V419-T437 HydrophobicContact CG2-CG2 3.39Å; K421-T437 HydrophobicContact CG-CG2 4.12Å; N433-T437 VanDerWaalsContact O-CB 3.24Å; N433-T437 WeakPolarHBondContact O-CB 3.29Å; N433-T437 PolarHBondContact O-N 3.39Å; N433-T437 PolarHBondContact O-OG1 3.34Å; A434-T437 PolarHBondContact O-N 3.22Å; V435-T437 VanDerWaalsContact C-N 3.28Å; V435-T437 PolarHBondContact O-N 2.84Å; T437-V439 VanDerWaalsContact C-N 3.33Å; T437-V439 PolarHBondContact O-N 3.5Å; T437-E440 PolarHBondContact O-N 3.21Å; T437-T441 WeakPolarHBondContact O-CG2 3.15Å; T437-T441 PolarHBondContact O-N 2.79Å; T437-T441 VanDerWaalsContact O-N 3.11Å
438A94Very high90.6Very high0 Ų045.4 Ų45.40%027%0.269CS..Hα-helixtrans-60-44177.200000111.8V376 I398 A434 V435 A436 T441 V444 I450V376-A438 HydrophobicContact CG2-CB 3.81Å; I398-A438 HydrophobicContact CD1-CB 4.25Å; A434-A438 WeakPolarHBondContact O-CB 2.8Å; A434-A438 PolarHBondContact O-N 2.86Å; V435-A438 WeakPolarHBondContact O-CB 3.36Å; V435-A438 PolarHBondContact O-N 3.43Å; V435-A438 VanDerWaalsContact O-N 3.12Å; A436-A438 PolarHBondContact O-N 3.12Å; A438-T441 PolarHBondContact O-N 3.25Å; A438-T441 PolarHBondContact O-OG1 3.04Å; A438-V444 HydrophobicContact CB-CB 4.4Å; A438-V444 HydrophobicContact CB-CG2 4.14Å; A438-I450 HydrophobicContact CB-CD1 4.34Å
439V92.6Very high90.8Very high60 Ų6040.5 Ų40.536%0.36424%0.243SC..Hα-helixtrans-66.7-46176.7176.90000111.3V435 A436 T437 T441 G442 V472V435-V439 PolarHBondContact O-N 3.38Å; V435-V439 VanDerWaalsContact O-N 3.11Å; A436-V439 PolarHBondContact O-N 3.49Å; T437-V439 VanDerWaalsContact C-N 3.33Å; T437-V439 PolarHBondContact O-N 3.5Å; V439-T441 PolarHBondContact O-N 3.27Å; V439-T441 VanDerWaalsContact O-N 3.14Å; V439-G442 PolarHBondContact O-N 2.94Å; V439-V472 HydrophobicContact CG2-CG1 3.72Å
440E93Very high91.1Very high124 Ų12438.9 Ų38.958%0.57923%0.229SC*.Hα-helixtrans-59.5-25.8178.7-75.3173-16800113.3K421 A436 T437 G442K421-E440 VanDerWaalsContact CE-OE2 3.26Å; K421-E440 WeakPolarHBondContact CE-OE2 3.46Å; K421-E440 IonicContact NZ-OE2 2.8Å; K421-E440 PolarHBondContact NZ-OE2 3.21Å; A436-E440 WeakPolarHBondContact O-CB 3.13Å; A436-E440 VanDerWaalsContact O-CG 3.24Å; A436-E440 WeakPolarHBondContact O-CG 3.29Å; A436-E440 PolarHBondContact O-N 3.23Å; T437-E440 PolarHBondContact O-N 3.21Å; E440-G442 PolarHBondContact O-N 3.47Å
441T92.1Very high91.4Very high46 Ų4638.1 Ų38.128%0.28223%0.225SC..THydrogen-bonded Turntrans-69.6-10.4174.171.70000114I398 V419 T437 A438 V439 R443I398-T441 HydrophobicContact CD1-CG2 4.14Å; I398-T441 HydrophobicContact CG2-CG2 4.38Å; V419-T441 HydrophobicContact CG1-CG2 4.21Å; T437-T441 WeakPolarHBondContact O-CG2 3.15Å; T437-T441 PolarHBondContact O-N 2.79Å; T437-T441 VanDerWaalsContact O-N 3.11Å; A438-T441 PolarHBondContact O-N 3.25Å; A438-T441 PolarHBondContact O-OG1 3.04Å; V439-T441 PolarHBondContact O-N 3.27Å; V439-T441 VanDerWaalsContact O-N 3.14Å; T441-R443 PolarHBondContact O-N 3.41Å; T441-R443 VanDerWaalsContact OG1-CB 3.3Å; T441-R443 WeakPolarHBondContact OG1-CB 3.4Å; T441-R443 PolarHBondContact OG1-N 2.93Å
442G91.5Very high91.8Very high68 Ų6837.4 Ų37.470%0.70122%0.222SC*.THydrogen-bonded Turntrans67.612.6-173.500000113.9V439 E440V439-G442 PolarHBondContact O-N 2.94Å; E440-G442 PolarHBondContact O-N 3.47Å
443R90.4Very high92.1Very high106 Ų10632.4 Ų32.440%0.420%0.195SC..SBendtrans-93.3-21.1-178.1-153.36051.3142.77.4113.7M1 K373 D396 T441M1-R443 HydrophobicContact CE-CG 4.01Å; K373-R443 WeakPolarHBondContact CE-O 3.44Å; K373-R443 WeakPolarHBondContact CG-O 3.25Å; D396-R443 HydrophobicContact CB-CG 4.48Å; T441-R443 PolarHBondContact O-N 3.41Å; T441-R443 VanDerWaalsContact OG1-CB 3.3Å; T441-R443 WeakPolarHBondContact OG1-CB 3.4Å; T441-R443 PolarHBondContact OG1-N 2.93Å
444V91.6Very high92.3Very high6 Ų631.2 Ų31.24%0.03619%0.188CC..  trans-130.1134.8-174.7-175.50000107.5K373 A374 A438 D448 I450 V472K373-V444 HydrophobicContact CB-CG2 4.41Å; K373-V444 HydrophobicContact CG-CG2 4.06Å; A374-V444 HydrophobicContact CB-CG2 3.63Å; A438-V444 HydrophobicContact CB-CB 4.4Å; A438-V444 HydrophobicContact CB-CG2 4.14Å; V444-D448 WeakPolarHBondContact CA-OD2 3.41Å; V444-D448 HydrophobicContact CG1-CB 3.61Å; V444-I450 HydrophobicContact CB-CG2 4.38Å; V444-I450 HydrophobicContact CG1-CG2 3.56Å; V444-I450 HydrophobicContact CG2-CG2 3.91Å; V444-V472 HydrophobicContact CG1-CB 4.2Å; V444-V472 HydrophobicContact CG1-CG1 4.48Å; V444-V472 HydrophobicContact CG1-CG2 3.61Å
445S87.6Confident92.2Very high71 Ų7131.9 Ų31.950%0.49720%0.196SC..  trans-123.1172175.350.40000111.4G447 D448S445-G447 PolarHBondContact O-N 3.48Å; S445-D448 PolarHBondContact N-OD2 2.89Å; S445-D448 WeakPolarHBondContact O-CB 2.97Å; S445-D448 PolarHBondContact O-N 3.38Å; S445-D448 VanDerWaalsContact O-N 3.08Å; S445-D448 PolarHBondContact OG-OD2 2.95Å
446N84Confident92Very high61 Ų6132.1 Ų32.133%0.32620%0.197SC..THydrogen-bonded Turntrans-52.9133.5169.7-72.710.5000109.7V472N446-V472 CarbonylContact C-O 3.57Å; N446-V472 WeakPolarHBondContact CA-O 3.49Å
447G83.2Confident91.7Very high4 Ų434.4 Ų34.44%0.04121%0.209CC..THydrogen-bonded Turntrans99.6-21.9-173.100000116.6S445 L471 V472 Y581S445-G447 PolarHBondContact O-N 3.48Å; G447-L471 WeakPolarHBondContact O-CD1 3.48Å; G447-V472 PolarHBondContact N-O 3Å; G447-Y581 CarbonylContact C-O 3.55Å; G447-Y581 VanDerWaalsContact C-O 3.3Å; G447-Y581 WeakPolarHBondContact CA-O 3.49Å
448D90.2Very high90.9Very high27 Ų2736.2 Ų36.214%0.14422%0.22CC..  trans-78.3142.8-179.7-75.8-41.2000111.6K373 V444 S445 V472K373-D448 HydrophobicContact CB-CB 3.87Å; K373-D448 HydrophobicContact CG-CB 4.28Å; V444-D448 WeakPolarHBondContact CA-OD2 3.41Å; V444-D448 HydrophobicContact CG1-CB 3.61Å; S445-D448 PolarHBondContact N-OD2 2.89Å; S445-D448 WeakPolarHBondContact O-CB 2.97Å; S445-D448 PolarHBondContact O-N 3.38Å; S445-D448 VanDerWaalsContact O-N 3.08Å; S445-D448 PolarHBondContact OG-OD2 2.95Å; D448-V472 WeakPolarHBondContact O-CB 3.37Å; D448-V472 PolarHBondContact O-N 3.28Å
449L93.7Very high89.7Confident13 Ų1338.7 Ų38.77%0.06825%0.245CC..EExtended strand (participates in β ladder)trans-85.1137.5166.7-75.2173.2000110.8L370 V372 K373 I469 L471 V584L370-L449 HydrophobicContact CB-CD1 4.14Å; V372-L449 CarbonylContact C-O 3.49Å; V372-L449 HydrophobicContact CB-CB 4.26Å; V372-L449 HydrophobicContact CG1-CB 4Å; K373-L449 PolarHBondContact N-O 2.95Å; L449-I469 HydrophobicContact CD2-CG2 4.22Å; L449-L471 HydrophobicContact CD2-CB 3.99Å; L449-L471 HydrophobicContact CD2-CD1 4.07Å; L449-L471 HydrophobicContact CG-CD1 4.38Å; L449-V584 HydrophobicContact CD1-CB 3.97Å; L449-V584 HydrophobicContact CD1-CG2 4.17Å
450I96.3Very high88.7Confident0 Ų042.1 Ų42.10%026%0.257CS..EExtended strand (participates in β ladder)trans-123.7157.8168.165.6173000111A374 V376 V435 A438 V444 I452 H470 V472A374-I450 HydrophobicContact CB-CG2 4.22Å; A374-I450 VanDerWaalsContact O-CA 3.29Å; A374-I450 WeakPolarHBondContact O-CA 3.27Å; V376-I450 HydrophobicContact CG2-CD1 4.24Å; V435-I450 HydrophobicContact CG2-CD1 4.14Å; A438-I450 HydrophobicContact CB-CD1 4.34Å; V444-I450 HydrophobicContact CB-CG2 4.38Å; V444-I450 HydrophobicContact CG1-CG2 3.56Å; V444-I450 HydrophobicContact CG2-CG2 3.91Å; I450-I452 HydrophobicContact CD1-CD1 4.31Å; I450-I452 HydrophobicContact CD1-CG1 4.09Å; I450-I452 HydrophobicContact CG1-CG1 4.48Å; I450-H470 HydrophobicContact CG1-CB 3.96Å; I450-H470 PolarHBondContact N-O 3.4Å; I450-H470 PolarHBondContact O-N 2.99Å; I450-V472 HydrophobicContact CD1-CG2 4.03Å; I450-V472 HydrophobicContact CG1-CG2 4.1Å; I450-V472 HydrophobicContact CG2-CG2 4.03Å
451I98.2Very high87.6Confident0 Ų040.7 Ų40.70%026%0.257CS..EExtended strand (participates in β ladder)trans-114.7126167.1-58176.3000108.2V363 T366 A367 V372 A374 I375 V376 M467 K468V363-I451 HydrophobicContact CG1-CD1 4.37Å; V363-I451 HydrophobicContact CG1-CG2 4.03Å; V363-I451 HydrophobicContact CG2-CG2 4.07Å; T366-I451 HydrophobicContact CG2-CD1 3.62Å; T366-I451 HydrophobicContact CG2-CG1 4.44Å; A367-I451 HydrophobicContact CB-CD1 3.93Å; V372-I451 HydrophobicContact CB-CG1 4.31Å; V372-I451 HydrophobicContact CG1-CD1 4.02Å; V372-I451 HydrophobicContact CG1-CG1 3.94Å; V372-I451 HydrophobicContact CG2-CD1 3.93Å; V372-I451 HydrophobicContact CG2-CG1 4.02Å; A374-I451 PolarHBondContact O-N 3.38Å; I375-I451 CarbonylContact C-O 3.5Å; I375-I451 VanDerWaalsContact CA-O 3.3Å; I375-I451 WeakPolarHBondContact CA-O 3.49Å; I375-I451 HydrophobicContact CG1-CB 4.45Å; V376-I451 PolarHBondContact N-O 3.05Å; I451-M467 HydrophobicContact CD1-CE 4.48Å; I451-M467 HydrophobicContact CG2-CB 4.23Å; I451-M467 HydrophobicContact CG2-CE 4.1Å; I451-K468 CarbonylContact C-O 3.54Å; I451-K468 WeakPolarHBondContact CA-O 3.41Å
452I97.6Very high86.3Confident0 Ų040.3 Ų40.30%026%0.262CS..EExtended strand (participates in β ladder)trans-100.2129.9173.1-54.1164.4000107.7V376 L430 L431 A434 V435 I450 M466 M467 K468 H470V376-I452 HydrophobicContact CB-CG1 4.46Å; V376-I452 WeakPolarHBondContact O-CA 3.39Å; L430-I452 HydrophobicContact CD2-CG2 4.42Å; L431-I452 HydrophobicContact CB-CD1 4.5Å; L431-I452 HydrophobicContact CD2-CB 4.12Å; L431-I452 HydrophobicContact CD2-CD1 4.1Å; L431-I452 HydrophobicContact CD2-CG2 3.68Å; A434-I452 HydrophobicContact CB-CD1 4.07Å; A434-I452 HydrophobicContact CB-CG1 4.05Å; A434-I452 HydrophobicContact CB-CG2 3.7Å; V435-I452 HydrophobicContact CG2-CD1 3.84Å; I450-I452 HydrophobicContact CD1-CD1 4.31Å; I450-I452 HydrophobicContact CD1-CG1 4.09Å; I450-I452 HydrophobicContact CG1-CG1 4.48Å; I452-M466 WeakPolarHBondContact O-CE 3.38Å; I452-M467 CarbonylContact O-C 3.59Å; I452-M467 VanDerWaalsContact O-CA 3.23Å; I452-M467 WeakPolarHBondContact O-CA 3.33Å; I452-K468 PolarHBondContact N-O 2.99Å; I452-K468 PolarHBondContact O-N 3.43Å; I452-H470 HydrophobicContact CD1-CB 4.46Å
453T97.5Very high85.3Confident0 Ų039.7 Ų39.70%025%0.245CC..EExtended strand (participates in β ladder)trans-136.2142.8176.3-173.70000110.9I375 V376 A377 A378 T384 I388 T464 M466I375-T453 HydrophobicContact CG2-CG2 4.11Å; V376-T453 PolarHBondContact O-N 3.25Å; A377-T453 WeakPolarHBondContact CA-O 3.37Å; A377-T453 HydrophobicContact CB-CG2 4.23Å; A378-T453 PolarHBondContact N-O 3.05Å; T384-T453 HydrophobicContact CG2-CG2 3.95Å; I388-T453 HydrophobicContact CD1-CG2 3.99Å; I388-T453 HydrophobicContact CG1-CG2 3.78Å; T453-T464 WeakPolarHBondContact OG1-CG2 3.42Å; T453-M466 WeakPolarHBondContact CA-O 3.32Å; T453-M466 PolarHBondContact OG1-O 2.86Å
454A94.4Very high85.2Confident1 Ų134.7 Ų34.71%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-159167.8-173.600000110.6A378 L430 V456 N465 M466A378-A454 HydrophobicContact CB-CB 4Å; L430-A454 HydrophobicContact CD1-CB 4.22Å; L430-A454 HydrophobicContact CD2-CB 4.06Å; A454-V456 HydrophobicContact CB-CG1 4.35Å; A454-N465 PolarHBondContact O-N 2.84Å; A454-M466 HydrophobicContact CB-CG 4.31Å; A454-M466 HydrophobicContact CB-SD 4.28Å; A454-M466 PolarHBondContact N-O 3.38Å; A454-M466 WeakPolarHBondContact O-CG 3.32Å; A454-M466 PolarHBondContact O-N 2.98Å
455G91.9Very high85.3Confident16 Ų1637.6 Ų37.617%0.16524%0.241CC..  trans-95.4126.3156.900000109.9T463G455-T463 WeakPolarHBondContact CA-O 3.45Å
456V87.2Confident85.7Confident28 Ų2835.6 Ų35.617%0.1722%0.224CC..SBendtrans-126.7142.5176.5-61.70000110.8T427 A454 N465 M466T427-V456 HydrophobicContact CG2-CG1 4.15Å; A454-V456 HydrophobicContact CB-CG1 4.35Å; V456-N465 PolarHBondContact N-OD1 3.36Å; V456-N465 PolarHBondContact O-ND2 3.06Å; V456-M466 HydrophobicContact CG1-CG 4.2Å; V456-M466 HydrophobicContact CG1-SD 4.18Å; V456-M466 HydrophobicContact CG2-CB 4.38Å; V456-M466 HydrophobicContact CG2-CG 3.94Å
457P84.6Confident86.3Confident90 Ų9035.3 Ų35.358%0.58422%0.222SC*.SBendcis-62.5148.9-2.1-20.133.3000113.9
458T76.9Confident86.9Confident40 Ų4038.8 Ų38.825%0.24524%0.236CC..THydrogen-bonded Turntrans-65.6143.6175.955.20000110.3R424 K425 L430R424-T458 PolarHBondContact O-OG1 3.15Å; K425-T458 PolarHBondContact O-OG1 2.7Å; L430-T458 HydrophobicContact CD1-CG2 3.43Å; L430-T458 VanDerWaalsContact CD1-CG2 3.43Å
459G69.9Low87.2Confident51 Ų5141.1 Ų41.153%0.52625%0.247SC..THydrogen-bonded Turntrans105.3-19.6-174.500000114.3E380E380-G459 WeakPolarHBondContact OE1-CA 3.35Å; E380-G459 PolarHBondContact OE1-N 3.4Å
460E71.1Confident87.2Confident133 Ų13343 Ų4362%0.62126%0.255SS*.  trans-95.2110171.3-69.5-177.9-167.500110
461T69Low86.9Confident94 Ų9444.2 Ų44.258%0.57726%0.262SS*.THydrogen-bonded Turntrans-76.2143.9-179.755.50000112E380E380-T461 HydrophobicContact CB-CG2 4.49Å
462G66.1Low86.3Confident38 Ų3844.4 Ų44.439%0.39226%0.263SS..THydrogen-bonded Turntrans101-8.9165.300000115.9V356V356-G462 WeakPolarHBondContact CG2-O 3.36Å
463T71.1Confident85.2Confident55 Ų5545.6 Ų45.634%0.33728%0.275SS..  trans-111.667.6-172.8500000112G455 N465G455-T463 WeakPolarHBondContact CA-O 3.45Å; T463-N465 WeakPolarHBondContact O-CB 3.28Å; T463-N465 PolarHBondContact O-N 3.46Å; T463-N465 PolarHBondContact O-OD1 3.16Å
464T88.3Confident84.2Confident1 Ų150.7 Ų50.71%0.00630%0.303CS..  trans-62.7109.9169.1-56.20000108.7I359 T384 T453I359-T464 HydrophobicContact CB-CG2 4.32Å; I359-T464 HydrophobicContact CG2-CG2 3.88Å; T384-T464 WeakPolarHBondContact CA-OG1 3.34Å; T384-T464 WeakPolarHBondContact CB-OG1 3.3Å; T384-T464 HydrophobicContact CG2-CG2 3.78Å; T384-T464 PolarHBondContact OG1-OG1 3.44Å; T453-T464 WeakPolarHBondContact OG1-CG2 3.42Å
465N93.1Very high83.7Confident66 Ų6654.2 Ų54.235%0.35332%0.319SS..  trans-135.20.1-165.766.9-8.9000113.9L355 A454 V456 T463L355-N465 HydrophobicContact CD2-CB 4.36Å; A454-N465 PolarHBondContact O-N 2.84Å; V456-N465 PolarHBondContact N-OD1 3.36Å; V456-N465 PolarHBondContact O-ND2 3.06Å; T463-N465 WeakPolarHBondContact O-CB 3.28Å; T463-N465 PolarHBondContact O-N 3.46Å; T463-N465 PolarHBondContact O-OD1 3.16Å
466M94.7Very high83.6Confident30 Ų3056.2 Ų56.215%0.14833%0.325CS..EExtended strand (participates in β ladder)trans-138.4153.2178.367.4125.8-68.500113.1L431 I452 T453 A454 V456 K468L431-M466 HydrophobicContact CD2-CE 4.19Å; L431-M466 HydrophobicContact CD2-SD 4.4Å; I452-M466 WeakPolarHBondContact O-CE 3.38Å; T453-M466 WeakPolarHBondContact CA-O 3.32Å; T453-M466 PolarHBondContact OG1-O 2.86Å; A454-M466 HydrophobicContact CB-CG 4.31Å; A454-M466 HydrophobicContact CB-SD 4.28Å; A454-M466 PolarHBondContact N-O 3.38Å; A454-M466 WeakPolarHBondContact O-CG 3.32Å; A454-M466 PolarHBondContact O-N 2.98Å; V456-M466 HydrophobicContact CG1-CG 4.2Å; V456-M466 HydrophobicContact CG1-SD 4.18Å; V456-M466 HydrophobicContact CG2-CB 4.38Å; V456-M466 HydrophobicContact CG2-CG 3.94Å; M466-K468 HydrophobicContact CE-CB 4.17Å
467M97Very high83.9Confident55 Ų5555.7 Ų55.727%0.27132%0.324SS..EExtended strand (participates in β ladder)trans-139.1146.6164.463.8178.2-77.800110.7I359 V363 T366 I451 I452 I469I359-M467 HydrophobicContact CG2-CB 4.47Å; V363-M467 HydrophobicContact CG2-CB 3.7Å; V363-M467 HydrophobicContact CG2-CE 4.19Å; V363-M467 HydrophobicContact CG2-CG 4.31Å; V363-M467 HydrophobicContact CG2-SD 3.72Å; T366-M467 HydrophobicContact CG2-CE 4.04Å; I451-M467 HydrophobicContact CD1-CE 4.48Å; I451-M467 HydrophobicContact CG2-CB 4.23Å; I451-M467 HydrophobicContact CG2-CE 4.1Å; I452-M467 CarbonylContact O-C 3.59Å; I452-M467 VanDerWaalsContact O-CA 3.23Å; I452-M467 WeakPolarHBondContact O-CA 3.33Å; M467-I469 HydrophobicContact CE-CG1 4.21Å
468K97Very high84.4Confident76 Ų7655.8 Ų55.833%0.3332%0.32SS..EExtended strand (participates in β ladder)trans-131123.1173176.6178.7177.4-176.40108.6L431 I451 I452 M466L431-K468 HydrophobicContact CD1-CD 3.81Å; L431-K468 HydrophobicContact CD2-CB 4.32Å; L431-K468 HydrophobicContact CD2-CD 4.03Å; L431-K468 HydrophobicContact CG-CD 4.43Å; I451-K468 CarbonylContact C-O 3.54Å; I451-K468 WeakPolarHBondContact CA-O 3.41Å; I452-K468 PolarHBondContact N-O 2.99Å; I452-K468 PolarHBondContact O-N 3.43Å; M466-K468 HydrophobicContact CE-CB 4.17Å
469I96.6Very high85.3Confident76 Ų7655.1 Ų55.139%0.3932%0.32SS..EExtended strand (participates in β ladder)trans-80.9134.7167.6-51.9167000106.8T366 L370 L449 M467T366-I469 HydrophobicContact CG2-CD1 3.47Å; T366-I469 VanDerWaalsContact CG2-CD1 3.47Å; T366-I469 HydrophobicContact CG2-CG1 3.83Å; L370-I469 HydrophobicContact CD1-CD1 3.93Å; L370-I469 HydrophobicContact CD1-CG2 4.2Å; L449-I469 HydrophobicContact CD2-CG2 4.22Å; M467-I469 HydrophobicContact CE-CG1 4.21Å
470H92.7Very high86.5Confident52 Ų5257.5 Ų57.524%0.24132%0.318CS..EExtended strand (participates in β ladder)trans-142.4127.6-176.6-166.670.2000110.5V435 I450 I452V435-H470 VanDerWaalsContact CG2-CD2 3.43Å; V435-H470 WeakPolarHBondContact CG2-CD2 3.33Å; I450-H470 HydrophobicContact CG1-CB 3.96Å; I450-H470 PolarHBondContact N-O 3.4Å; I450-H470 PolarHBondContact O-N 2.99Å; I452-H470 HydrophobicContact CD1-CB 4.46Å
471L89.3Confident87.6Confident26 Ų2651.7 Ų51.714%0.13629%0.293CS..EExtended strand (participates in β ladder)trans-80.4121.9167-179.666.4000108.2G447 L449 G473 F578 A582 L585G447-L471 WeakPolarHBondContact O-CD1 3.48Å; L449-L471 HydrophobicContact CD2-CB 3.99Å; L449-L471 HydrophobicContact CD2-CD1 4.07Å; L449-L471 HydrophobicContact CG-CD1 4.38Å; L471-G473 PolarHBondContact O-N 3.32Å; L471-F578 HydrophobicContact CD2-CD1 4.19Å; L471-F578 HydrophobicContact CD2-CD2 4.28Å; L471-F578 HydrophobicContact CD2-CE1 4.09Å; L471-F578 HydrophobicContact CD2-CE2 4.2Å; L471-F578 HydrophobicContact CD2-CG 4.27Å; L471-F578 HydrophobicContact CD2-CZ 4.09Å; L471-A582 HydrophobicContact CD1-CB 3.74Å; L471-A582 HydrophobicContact CD2-CB 3.63Å; L471-A582 HydrophobicContact CG-CB 4.31Å; L471-L585 HydrophobicContact CD2-CD1 4.3Å; L471-L585 HydrophobicContact CD2-CD2 3.63Å; L471-L585 HydrophobicContact CD2-CG 4.21Å
472V86.5Confident88.9Confident4 Ų448 Ų482%0.02427%0.27CS..  trans-75.7120.9169.4-178.70000106.8V439 V444 N446 G447 D448 I450V439-V472 HydrophobicContact CG2-CG1 3.72Å; V444-V472 HydrophobicContact CG1-CB 4.2Å; V444-V472 HydrophobicContact CG1-CG1 4.48Å; V444-V472 HydrophobicContact CG1-CG2 3.61Å; N446-V472 CarbonylContact C-O 3.57Å; N446-V472 WeakPolarHBondContact CA-O 3.49Å; G447-V472 PolarHBondContact N-O 3Å; D448-V472 WeakPolarHBondContact O-CB 3.37Å; D448-V472 PolarHBondContact O-N 3.28Å; I450-V472 HydrophobicContact CD1-CG2 4.03Å; I450-V472 HydrophobicContact CG1-CG2 4.1Å; I450-V472 HydrophobicContact CG2-CG2 4.03Å
473G74.7Confident90.1Very high25 Ų2547.7 Ų47.726%0.25827%0.267SS..  trans164.5143.6178.900000111L471L471-G473 PolarHBondContact O-N 3.32Å
474D75.3Confident91Very high108 Ų10856.1 Ų56.158%0.57829%0.293SS*.  trans-85.1125.8171.3-65.7-44.8000108.5I476D474-I476 PolarHBondContact O-N 3.14Å; D474-I476 VanDerWaalsContact O-N 3.14Å
475E84.9Confident91.1Very high74 Ų7457.8 Ų57.835%0.34631%0.31SS..EExtended strand (participates in β ladder)trans-66.2107166.4-178.1-175.4127.300107.2N478 K576 F578E475-N478 WeakPolarHBondContact OE1-CB 3.4Å; E475-N478 PolarHBondContact OE1-ND2 3.47Å; E475-K576 HydrophobicContact CG-CG 4.5Å; E475-K576 WeakPolarHBondContact OE2-CD 3.12Å; E475-K576 VanDerWaalsContact OE2-CE 3.3Å; E475-K576 WeakPolarHBondContact OE2-CE 3.38Å; E475-K576 IonicContact OE2-NZ 2.71Å; E475-K576 PolarHBondContact OE2-NZ 3.46Å; E475-F578 HydrophobicContact CB-CE1 4.27Å
476I90.8Very high91Very high59 Ų5957.2 Ų57.230%0.30331%0.311SS..EExtended strand (participates in β ladder)trans-80.2-26.4-179.260169.5000111.6D474 M566 V568 I577 E579D474-I476 PolarHBondContact O-N 3.14Å; D474-I476 VanDerWaalsContact O-N 3.14Å; I476-M566 HydrophobicContact CD1-CE 4.04Å; I476-M566 HydrophobicContact CD1-SD 4.25Å; I476-M566 HydrophobicContact CG2-CE 4.39Å; I476-V568 HydrophobicContact CD1-CG1 3.82Å; I476-I577 HydrophobicContact CD1-CG2 3.87Å; I476-I577 HydrophobicContact CG1-CB 4.21Å; I476-I577 HydrophobicContact CG1-CG2 3.82Å; I476-I577 WeakPolarHBondContact CG1-O 3.48Å; I476-I577 PolarHBondContact N-O 3.35Å; I476-E579 HydrophobicContact CG2-CB 3.78Å
477A93.3Very high90.9Very high17 Ų1757.1 Ų57.114%0.1431%0.313CS..EExtended strand (participates in β ladder)trans-161.4158.7178.700000110.8V555 I562 I577A477-V555 HydrophobicContact CB-CG1 3.69Å; A477-I562 HydrophobicContact CB-CD1 4.2Å; A477-I577 HydrophobicContact CB-CB 4.25Å; A477-I577 HydrophobicContact CB-CD1 3.85Å; A477-I577 PolarHBondContact N-O 3.18Å; A477-I577 PolarHBondContact O-N 3.19Å
478N94Very high90.7Very high92 Ų9256.3 Ų56.349%0.49231%0.31SS..EExtended strand (participates in β ladder)trans-141167.4172.764.349.1000110.9E475 G575E475-N478 WeakPolarHBondContact OE1-CB 3.4Å; E475-N478 PolarHBondContact OE1-ND2 3.47Å; N478-G575 CarbonylContact C-O 3.35Å; N478-G575 VanDerWaalsContact CA-O 3.25Å; N478-G575 WeakPolarHBondContact CA-O 3.38Å; N478-G575 WeakPolarHBondContact CB-O 3.43Å
479G95Very high90.4Very high25 Ų2552.9 Ų52.926%0.25830%0.297SS..  trans-174.8-159.2175.500000110.9G481 V553 G575G479-G481 PolarHBondContact O-N 2.97Å; G479-V553 CarbonylContact C-O 3.58Å; G479-G575 PolarHBondContact N-O 3.49Å; G479-G575 WeakPolarHBondContact O-CA 3.18Å
480Q95.4Very high90.4Very high102 Ų10250.5 Ų50.548%0.47729%0.286SS..EExtended strand (participates in β ladder)trans-85.5109.2173.5-179.559.563.800109.5I482 I536 V553Q480-I482 HydrophobicContact CG-CD1 4.26Å; Q480-I536 HydrophobicContact CG-CG2 3.76Å; Q480-V553 HydrophobicContact CB-CG2 3.9Å; Q480-V553 HydrophobicContact CG-CG2 4.29Å; Q480-V553 PolarHBondContact N-O 2.99Å; Q480-V553 WeakPolarHBondContact O-CG2 3.41Å; Q480-V553 PolarHBondContact O-N 3.26Å
481G95.6Very high90.6Very high10 Ų1048.1 Ų48.110%0.10328%0.275CS..EExtended strand (participates in β ladder)trans-69.8141.9173.600000112.6G479 T551 A572G479-G481 PolarHBondContact O-N 2.97Å; G481-T551 CarbonylContact C-O 3.6Å; G481-A572 CarbonylContact C-O 3.58Å; G481-A572 WeakPolarHBondContact CA-O 3.4Å
482I95.4Very high90.9Very high16 Ų1647.6 Ų47.68%0.08227%0.272CS..EExtended strand (participates in β ladder)trans-128.3121179.5-53.8-65.4000109Q480 I536 A541 L545 T551 V553 A572Q480-I482 HydrophobicContact CG-CD1 4.26Å; I482-I536 HydrophobicContact CD1-CB 4.27Å; I482-I536 HydrophobicContact CD1-CG2 4.09Å; I482-A541 HydrophobicContact CD1-CB 3.87Å; I482-A541 HydrophobicContact CG1-CB 3.76Å; I482-A541 HydrophobicContact CG2-CB 4.22Å; I482-A541 WeakPolarHBondContact CG2-O 3.23Å; I482-L545 HydrophobicContact CG2-CB 4.03Å; I482-L545 HydrophobicContact CG2-CD1 4.37Å; I482-T551 PolarHBondContact N-O 2.71Å; I482-T551 PolarHBondContact O-N 2.89Å; I482-V553 HydrophobicContact CD1-CG2 4.36Å; I482-V553 HydrophobicContact CG1-CG1 4.12Å; I482-V553 HydrophobicContact CG1-CG2 4.12Å; I482-A572 WeakPolarHBondContact O-CB 3.42Å
483G92Very high91.4Very high33 Ų3348.5 Ų48.534%0.3428%0.277SS..SBendtrans95.7-166.7-167.600000111.7
484R89.9Confident92.4Very high231 Ų23147.3 Ų47.387%0.87227%0.265SS*.SBendtrans-139.13.7-179.8-65.4-174.1178.4-177.6-0.7113.9
485G90.6Very high93.2Very high36 Ų3649.3 Ų49.337%0.37127%0.271SS..  trans-86.7172.7178.300000112A572G485-A572 WeakPolarHBondContact O-CB 3.08Å; G485-A572 PolarHBondContact O-N 3.45Å
486S91.4Very high93.7Very high54 Ų5449 Ų4938%0.37827%0.274SS..EExtended strand (participates in β ladder)trans-135.3151.317055.70000109.6I570S486-I570 WeakPolarHBondContact CA-O 3.37Å; S486-I570 WeakPolarHBondContact CB-O 3.4Å
487V92.5Very high93.7Very high29 Ų2948 Ų4818%0.17627%0.271CS..EExtended strand (participates in β ladder)trans-143.5148.5178.8-75.60000110.1L527 P550 T569 I570V487-L527 HydrophobicContact CB-CB 4.41Å; V487-L527 HydrophobicContact CG2-CB 4.48Å; V487-L527 WeakPolarHBondContact CG2-O 3.39Å; V487-P550 HydrophobicContact CG1-CG 4.05Å; V487-P550 HydrophobicContact CG2-CB 4.22Å; V487-P550 HydrophobicContact CG2-CG 4.25Å; V487-T569 WeakPolarHBondContact O-CA 3.34Å; V487-I570 HydrophobicContact CG2-CB 4.31Å; V487-I570 HydrophobicContact CG2-CD1 4.34Å; V487-I570 PolarHBondContact N-O 2.78Å; V487-I570 PolarHBondContact O-N 2.72Å
488V91Very high93.7Very high37 Ų3754.8 Ų54.822%0.22430%0.297CS..EExtended strand (participates in β ladder)trans-107.9128168.5-171.10000107.9L527 L567 V568 T569 Y581V488-L527 WeakPolarHBondContact O-CD1 3.41Å; V488-L567 HydrophobicContact CG1-CD1 3.91Å; V488-L567 HydrophobicContact CG1-CD2 4.49Å; V488-L567 HydrophobicContact CG1-CG 4.13Å; V488-V568 WeakPolarHBondContact CA-O 3.49Å; V488-T569 HydrophobicContact CG2-CG2 4.1Å; V488-T569 WeakPolarHBondContact CG2-OG1 3.43Å; V488-Y581 HydrophobicContact CB-CD2 4.1Å; V488-Y581 HydrophobicContact CB-CE2 4.29Å; V488-Y581 HydrophobicContact CG1-CD2 3.71Å; V488-Y581 HydrophobicContact CG1-CE2 4.38Å; V488-Y581 HydrophobicContact CG1-CG 4.17Å; V488-Y581 HydrophobicContact CG2-CD1 4.43Å; V488-Y581 HydrophobicContact CG2-CD2 3.92Å; V488-Y581 HydrophobicContact CG2-CE1 4.36Å; V488-Y581 HydrophobicContact CG2-CE2 4Å; V488-Y581 HydrophobicContact CG2-CG 4.14Å
489G92.1Very high93.6Very high4 Ų453.1 Ų53.14%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-160.2166.818000000111.6D507 V568G489-D507 WeakPolarHBondContact CA-O 3.39Å; G489-V568 PolarHBondContact N-O 2.94Å; G489-V568 PolarHBondContact O-N 2.85Å
490T95.5Very high93.5Very high27 Ų2751.9 Ų51.917%0.16628%0.276CS..EExtended strand (participates in β ladder)trans-89.2132.5176.342.30000110D507 K508 V509 M566 L567T490-D507 PolarHBondContact N-O 3.36Å; T490-K508 CarbonylContact O-C 3.5Å; T490-K508 VanDerWaalsContact O-CA 3.25Å; T490-K508 WeakPolarHBondContact O-CA 3.07Å; T490-K508 WeakPolarHBondContact O-CD 3.45Å; T490-K508 WeakPolarHBondContact OG1-CD 3.39Å; T490-K508 WeakPolarHBondContact OG1-CE 3.47Å; T490-K508 PolarHBondContact OG1-NZ 3.43Å; T490-V509 PolarHBondContact O-N 2.63Å; T490-M566 CarbonylContact C-O 3.57Å; T490-M566 WeakPolarHBondContact CA-O 3.15Å; T490-L567 HydrophobicContact CG2-CB 4.4Å; T490-L567 HydrophobicContact CG2-CD1 3.88Å
491T96.5Very high93.3Very high1 Ų153.2 Ų53.21%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-65.2141.7-17855.40000110.7V509 V511 I562 S563 N564 N565 M566 V568T491-V509 CarbonylContact C-O 3.55Å; T491-V509 VanDerWaalsContact CA-O 3.3Å; T491-V509 WeakPolarHBondContact CA-O 3.43Å; T491-V511 HydrophobicContact CG2-CG2 4.17Å; T491-I562 HydrophobicContact CG2-CG2 3.75Å; T491-S563 PolarHBondContact OG1-O 3.28Å; T491-N564 PolarHBondContact O-OD1 3.48Å; T491-N565 VanDerWaalsContact O-CA 3.25Å; T491-N565 WeakPolarHBondContact O-CA 3.45Å; T491-N565 PolarHBondContact O-N 3.48Å; T491-N565 PolarHBondContact OG1-N 2.97Å; T491-M566 PolarHBondContact N-O 3.09Å; T491-M566 PolarHBondContact OG1-N 2.86Å; T491-M566 PolarHBondContact OG1-O 3.44Å; T491-V568 HydrophobicContact CG2-CB 4.15Å; T491-V568 HydrophobicContact CG2-CG1 3.56Å; T491-V568 HydrophobicContact CG2-CG2 3.45Å; T491-V568 VanDerWaalsContact CG2-CG2 3.45Å
492L97.1Very high93.1Very high15 Ų1556.8 Ų56.88%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-127.8100.1168.4-171.370.8000108A494 L500 K503 L505 K508 V509 V511 N564L492-A494 PolarHBondContact O-N 2.96Å; L492-L500 HydrophobicContact CD2-CD2 3.42Å; L492-L500 VanDerWaalsContact CD2-CD2 3.42Å; L492-L500 HydrophobicContact CG-CD2 4.11Å; L492-K503 HydrophobicContact CD1-CD 3.89Å; L492-K503 HydrophobicContact CD2-CB 4.49Å; L492-K503 HydrophobicContact CD2-CD 3.88Å; L492-K503 HydrophobicContact CG-CD 4.48Å; L492-L505 HydrophobicContact CD2-CD2 3.36Å; L492-K508 HydrophobicContact CB-CB 4.32Å; L492-V509 PolarHBondContact N-O 2.92Å; L492-V511 PolarHBondContact O-N 2.82Å; L492-N564 WeakPolarHBondContact CA-OD1 3.17Å
493V96.9Very high92.9Very high23 Ų2360.9 Ų60.914%0.13934%0.336CS..EExtended strand (participates in β ladder)trans-75.5123.6177.7-177.30000108.6V511 V559 I562 N564V493-V511 WeakPolarHBondContact CA-O 3.47Å; V493-V511 HydrophobicContact CG2-CB 4.11Å; V493-V511 HydrophobicContact CG2-CG2 4.43Å; V493-V559 HydrophobicContact CG1-CB 4.32Å; V493-V559 HydrophobicContact CG1-CG1 3.68Å; V493-I562 WeakPolarHBondContact CG2-O 3.22Å; V493-N564 HydrophobicContact CB-CB 4.16Å; V493-N564 HydrophobicContact CG2-CB 3.91Å; V493-N564 PolarHBondContact N-OD1 2.97Å
494A95.8Very high92.7Very high0 Ų064.4 Ų64.40%035%0.347CS..  trans-130.5115.4-178.800000109.8L492 D499 L500 V511 T512 F519L492-A494 PolarHBondContact O-N 2.96Å; A494-D499 HydrophobicContact CB-CB 3.84Å; A494-L500 HydrophobicContact CB-CD1 4.28Å; A494-L500 HydrophobicContact CB-CD2 3.58Å; A494-L500 HydrophobicContact CB-CG 3.77Å; A494-V511 PolarHBondContact N-O 2.82Å; A494-T512 WeakPolarHBondContact O-CA 3.39Å; A494-T512 WeakPolarHBondContact O-CB 3.34Å; A494-T512 PolarHBondContact O-OG1 2.85Å; A494-F519 HydrophobicContact CB-CE1 4.27Å
495E92.3Very high92.9Very high150 Ų15053.7 Ų53.770%0.70131%0.307SS*.SBendtrans-83-27.9173-68.2-171.8-174.300110.8D499 V559E495-D499 PolarHBondContact N-OD2 2.8Å; E495-V559 HydrophobicContact CG-CG1 3.84Å
496T93.8Very high92.9Very high68 Ų6855.4 Ų55.442%0.41731%0.314SS..SBendtrans-139.4160.3179.569.60000110.9K498 D499T496-K498 PolarHBondContact O-N 3.34Å; T496-K498 VanDerWaalsContact O-N 3.11Å; T496-D499 PolarHBondContact N-OD2 2.96Å; T496-D499 VanDerWaalsContact O-CB 3.3Å; T496-D499 WeakPolarHBondContact O-CB 3.3Å; T496-D499 PolarHBondContact O-N 2.7Å; T496-D499 PolarHBondContact OG1-OD2 3.47Å
497V92.5Very high92.9Very high37 Ų3756.5 Ų56.522%0.22432%0.315CS..G310 helixtrans-58.5-25.1175.6-69.50000114.4D499 L500 E501 T518 F519 Y522V497-D499 PolarHBondContact O-N 3.44Å; V497-L500 PolarHBondContact O-N 2.97Å; V497-L500 VanDerWaalsContact O-N 3.11Å; V497-E501 PolarHBondContact O-N 3.07Å; V497-T518 WeakPolarHBondContact CG1-OG1 3.4Å; V497-F519 HydrophobicContact CG1-CB 4.33Å; V497-F519 HydrophobicContact CG1-CD1 3.98Å; V497-F519 HydrophobicContact CG1-CD2 3.37Å; V497-F519 HydrophobicContact CG1-CE1 4.12Å; V497-F519 HydrophobicContact CG1-CE2 3.54Å; V497-F519 HydrophobicContact CG1-CG 3.61Å; V497-F519 HydrophobicContact CG1-CZ 3.92Å; V497-Y522 HydrophobicContact CB-CE2 4.3Å
498K92.8Very high93.1Very high161 Ų16156.8 Ų56.870%0.731%0.314SS*.G310 helixtrans-64.9-24.4176.1-65.6-178.2179.1177.80112.1T496 L500 E501T496-K498 PolarHBondContact O-N 3.34Å; T496-K498 VanDerWaalsContact O-N 3.11Å; K498-L500 PolarHBondContact O-N 2.77Å; K498-E501 PolarHBondContact O-N 3.11Å
499D92.2Very high93.4Very high56 Ų5655 Ų5530%0.29930%0.303SS..G310 helixtrans-72.6-14.9177.5-58.3-46.3000112.4A494 E495 T496 V497 K503A494-D499 HydrophobicContact CB-CB 3.84Å; E495-D499 PolarHBondContact N-OD2 2.8Å; T496-D499 PolarHBondContact N-OD2 2.96Å; T496-D499 VanDerWaalsContact O-CB 3.3Å; T496-D499 WeakPolarHBondContact O-CB 3.3Å; T496-D499 PolarHBondContact O-N 2.7Å; T496-D499 PolarHBondContact OG1-OD2 3.47Å; V497-D499 PolarHBondContact O-N 3.44Å; D499-K503 VanDerWaalsContact O-CD 3.29Å; D499-K503 WeakPolarHBondContact O-CD 3.23Å; D499-K503 WeakPolarHBondContact O-CE 3.38Å; D499-K503 PolarHBondContact O-NZ 2.97Å
500L92.8Very high93.6Very high0 Ų054.9 Ų54.90%030%0.301CS..THydrogen-bonded Turntrans-101.8-17.8178.6-56.6177.7000112.6L492 A494 V497 K498 G502 K503 L505 I510 F519 Y522L492-L500 HydrophobicContact CD2-CD2 3.42Å; L492-L500 VanDerWaalsContact CD2-CD2 3.42Å; L492-L500 HydrophobicContact CG-CD2 4.11Å; A494-L500 HydrophobicContact CB-CD1 4.28Å; A494-L500 HydrophobicContact CB-CD2 3.58Å; A494-L500 HydrophobicContact CB-CG 3.77Å; V497-L500 PolarHBondContact O-N 2.97Å; V497-L500 VanDerWaalsContact O-N 3.11Å; K498-L500 PolarHBondContact O-N 2.77Å; L500-G502 PolarHBondContact O-N 3.38Å; L500-K503 PolarHBondContact O-N 3.4Å; L500-L505 HydrophobicContact CD2-CD2 4.16Å; L500-I510 HydrophobicContact CD1-CD1 4.03Å; L500-I510 HydrophobicContact CD1-CG2 4.42Å; L500-I510 HydrophobicContact CD2-CD1 4.28Å; L500-I510 HydrophobicContact CD2-CG1 4.24Å; L500-I510 HydrophobicContact CD2-CG2 4.37Å; L500-F519 HydrophobicContact CD1-CD1 3.65Å; L500-F519 HydrophobicContact CD1-CE1 3.69Å; L500-Y522 HydrophobicContact CB-CD1 3.88Å; L500-Y522 HydrophobicContact CB-CE1 4.26Å; L500-Y522 HydrophobicContact CB-CG 4.06Å; L500-Y522 HydrophobicContact CD1-CD2 4.39Å; L500-Y522 HydrophobicContact CD1-CG 4.03Å
501E90.8Very high93.7Very high130 Ų13053.6 Ų53.661%0.60729%0.294SS*.THydrogen-bonded Turntrans-63.2130.1-174.1-167.3174.1-174.100111.8V497 K498 K503V497-E501 PolarHBondContact O-N 3.07Å; K498-E501 PolarHBondContact O-N 3.11Å; E501-K503 PolarHBondContact O-N 2.85Å
502G90.3Very high93.7Very high85 Ų8553.6 Ų53.688%0.87629%0.294SS*.THydrogen-bonded Turntrans73.62179.400000115.8L500L500-G502 PolarHBondContact O-N 3.38Å
503K91.1Very high93.7Very high102 Ų10257.4 Ų57.444%0.44331%0.314SS..  trans-92.5147.6176.8-62.3-177.3-177.1168.90111.3L492 D499 L500 E501 L505L492-K503 HydrophobicContact CD1-CD 3.89Å; L492-K503 HydrophobicContact CD2-CB 4.49Å; L492-K503 HydrophobicContact CD2-CD 3.88Å; L492-K503 HydrophobicContact CG-CD 4.48Å; D499-K503 VanDerWaalsContact O-CD 3.29Å; D499-K503 WeakPolarHBondContact O-CD 3.23Å; D499-K503 WeakPolarHBondContact O-CE 3.38Å; D499-K503 PolarHBondContact O-NZ 2.97Å; L500-K503 PolarHBondContact O-N 3.4Å; E501-K503 PolarHBondContact O-N 2.85Å; K503-L505 HydrophobicContact CB-CD2 4.46Å
504D89.8Confident93.6Very high107 Ų10758.2 Ų58.257%0.57232%0.321SS*.  trans-76.9126.3166.6-170.6-5.3000108.9S506 K508D504-S506 WeakPolarHBondContact OD1-CB 3.39Å; D504-S506 PolarHBondContact OD1-N 3.05Å; D504-S506 PolarHBondContact OD1-OG 3.35Å; D504-S506 PolarHBondContact OD2-OG 3.18Å; D504-K508 WeakPolarHBondContact O-CG 3.38Å
505L92.8Very high93.5Very high5 Ų558.4 Ų58.43%0.02632%0.322CS..  trans-108.7-7.6-176.4-59177.2000112.2L492 L500 K503 D507 K508 I510 Y522 K525 A526L492-L505 HydrophobicContact CD2-CD2 3.36Å; L500-L505 HydrophobicContact CD2-CD2 4.16Å; K503-L505 HydrophobicContact CB-CD2 4.46Å; L505-D507 PolarHBondContact O-N 3.17Å; L505-K508 PolarHBondContact O-N 2.97Å; L505-I510 HydrophobicContact CD1-CD1 4.28Å; L505-Y522 HydrophobicContact CD1-CD1 3.89Å; L505-Y522 HydrophobicContact CD1-CG 4.34Å; L505-Y522 WeakPolarHBondContact CD1-O 3.43Å; L505-K525 CarbonylContact C-O 3.56Å; L505-K525 HydrophobicContact CB-CB 4.08Å; L505-K525 HydrophobicContact CD1-CB 4.34Å; L505-A526 WeakPolarHBondContact O-CA 3.41Å
506S90.3Very high93.5Very high73 Ų7354.5 Ų54.551%0.5131%0.306SS..THydrogen-bonded Turntrans-63.1-18.7-169.361.10000114.6D504 K525 L527D504-S506 WeakPolarHBondContact OD1-CB 3.39Å; D504-S506 PolarHBondContact OD1-N 3.05Å; D504-S506 PolarHBondContact OD1-OG 3.35Å; D504-S506 PolarHBondContact OD2-OG 3.18Å; S506-K525 WeakPolarHBondContact CA-O 3.3Å; S506-K525 PolarHBondContact N-O 3.02Å; S506-L527 VanDerWaalsContact O-CG 3.28Å; S506-L527 WeakPolarHBondContact O-CG 3.3Å
507D92Very high93.4Very high76 Ų7658.7 Ų58.741%0.40632%0.321SS..THydrogen-bonded Turntrans-118.713176.173.7-24.8000113.2G489 T490 L505 L527G489-D507 WeakPolarHBondContact CA-O 3.39Å; T490-D507 PolarHBondContact N-O 3.36Å; L505-D507 PolarHBondContact O-N 3.17Å; D507-L527 VanDerWaalsContact CA-CD1 3.5Å; D507-L527 HydrophobicContact CB-CD1 4.5Å
508K96.3Very high93.5Very high36 Ų3659.8 Ų59.816%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-108.8149.5-170.9-56.6-57.9178.5-177.50113.5T490 L492 D504 L505 L527T490-K508 CarbonylContact O-C 3.5Å; T490-K508 VanDerWaalsContact O-CA 3.25Å; T490-K508 WeakPolarHBondContact O-CA 3.07Å; T490-K508 WeakPolarHBondContact O-CD 3.45Å; T490-K508 WeakPolarHBondContact OG1-CD 3.39Å; T490-K508 WeakPolarHBondContact OG1-CE 3.47Å; T490-K508 PolarHBondContact OG1-NZ 3.43Å; L492-K508 HydrophobicContact CB-CB 4.32Å; D504-K508 WeakPolarHBondContact O-CG 3.38Å; L505-K508 PolarHBondContact O-N 2.97Å; K508-L527 PolarHBondContact O-N 2.96Å
509V96.8Very high93.6Very high0 Ų052.6 Ų52.60%030%0.296CS..EExtended strand (participates in β ladder)trans-107115.1168.3169.30000108.2T490 T491 L492 G528 I530 V568 I570T490-V509 PolarHBondContact O-N 2.63Å; T491-V509 CarbonylContact C-O 3.55Å; T491-V509 VanDerWaalsContact CA-O 3.3Å; T491-V509 WeakPolarHBondContact CA-O 3.43Å; L492-V509 PolarHBondContact N-O 2.92Å; V509-G528 WeakPolarHBondContact CA-O 3.5Å; V509-I530 HydrophobicContact CG1-CD1 3.63Å; V509-I530 HydrophobicContact CG1-CG1 4Å; V509-V568 HydrophobicContact CB-CG2 4.29Å; V509-V568 HydrophobicContact CG1-CG2 4.32Å; V509-V568 HydrophobicContact CG2-CG2 4.29Å; V509-I570 HydrophobicContact CB-CD1 4.15Å; V509-I570 HydrophobicContact CG1-CD1 3.24Å; V509-I570 HydrophobicContact CG1-CG1 4.16Å; V509-I570 HydrophobicContact CG2-CD1 3.78Å
510I97.3Very high93.6Very high0 Ų051.9 Ų51.90%029%0.294CS..EExtended strand (participates in β ladder)trans-78.3134.2-179.1-62.7172.8000109.5L500 L505 T512 A526 G528 L529 I530L500-I510 HydrophobicContact CD1-CD1 4.03Å; L500-I510 HydrophobicContact CD1-CG2 4.42Å; L500-I510 HydrophobicContact CD2-CD1 4.28Å; L500-I510 HydrophobicContact CD2-CG1 4.24Å; L500-I510 HydrophobicContact CD2-CG2 4.37Å; L505-I510 HydrophobicContact CD1-CD1 4.28Å; I510-T512 HydrophobicContact CG2-CG2 4.38Å; I510-A526 HydrophobicContact CD1-CB 3.68Å; I510-A526 HydrophobicContact CG1-CB 3.88Å; I510-G528 PolarHBondContact N-O 3.39Å; I510-L529 HydrophobicContact CB-CD1 4.16Å; I510-L529 HydrophobicContact CG2-CD1 4.23Å; I510-I530 PolarHBondContact O-N 3.21Å
511V97.7Very high93.6Very high0 Ų054.6 Ų54.60%031%0.311CS..EExtended strand (participates in β ladder)trans-118.2115.1172.7-170.80000108.6T491 L492 V493 A494 I530 A558 I562T491-V511 HydrophobicContact CG2-CG2 4.17Å; L492-V511 PolarHBondContact O-N 2.82Å; V493-V511 WeakPolarHBondContact CA-O 3.47Å; V493-V511 HydrophobicContact CG2-CB 4.11Å; V493-V511 HydrophobicContact CG2-CG2 4.43Å; A494-V511 PolarHBondContact N-O 2.82Å; V511-I530 WeakPolarHBondContact CA-O 3.43Å; V511-I530 HydrophobicContact CG1-CB 4.34Å; V511-I530 HydrophobicContact CG1-CG2 4.26Å; V511-I530 HydrophobicContact CG2-CB 4.25Å; V511-I530 HydrophobicContact CG2-CD1 4.09Å; V511-A558 HydrophobicContact CG1-CB 3.75Å; V511-I562 HydrophobicContact CG1-CD1 4.45Å; V511-I562 HydrophobicContact CG2-CG2 4.28Å
512T97.3Very high93.8Very high2 Ų251 Ų511%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-141.8172.4-176.7-176.60000111.4A494 I510 S514 I515 L529 I530 T531 E532A494-T512 WeakPolarHBondContact O-CA 3.39Å; A494-T512 WeakPolarHBondContact O-CB 3.34Å; A494-T512 PolarHBondContact O-OG1 2.85Å; I510-T512 HydrophobicContact CG2-CG2 4.38Å; T512-S514 PolarHBondContact OG1-O 3.43Å; T512-I515 HydrophobicContact CG2-CD1 3.76Å; T512-L529 HydrophobicContact CG2-CD1 4.21Å; T512-I530 PolarHBondContact N-O 3.27Å; T512-T531 HydrophobicContact CG2-CG2 3.74Å; T512-T531 VanDerWaalsContact O-CA 3.27Å; T512-T531 WeakPolarHBondContact O-CA 3.45Å; T512-E532 PolarHBondContact O-N 3.05Å
513N96Very high94Very high94 Ų9447 Ų4750%0.50325%0.251SS..SBendtrans-72.4-50.5174.5-179.646.4000111.7E532 E533N513-E532 PolarHBondContact O-N 2.84Å; N513-E533 WeakPolarHBondContact O-CB 3.22Å; N513-E533 PolarHBondContact O-N 3.08Å
514S95.6Very high94.1Very high40 Ų4046.6 Ų46.628%0.2825%0.251SS..  trans-158.4166.6-174.61730000109.2T512 E533T512-S514 PolarHBondContact OG1-O 3.43Å; S514-E533 VanDerWaalsContact CB-OE2 3.23Å; S514-E533 WeakPolarHBondContact CB-OE2 3.46Å; S514-E533 VanDerWaalsContact OG-CD 3.24Å; S514-E533 PolarHBondContact OG-OE2 2.98Å
515I94Very high94.3Very high4 Ų447.2 Ų47.22%0.02125%0.249CC..  trans-108.3129.3175.8-63.5-61.2000109.7T512 F519 V520 V523 L529 T531 P539 S540 V543T512-I515 HydrophobicContact CG2-CD1 3.76Å; I515-F519 HydrophobicContact CD1-CB 3.63Å; I515-F519 HydrophobicContact CD1-CD1 4.13Å; I515-F519 HydrophobicContact CD1-CG 4Å; I515-F519 HydrophobicContact CG2-CB 4.05Å; I515-V520 HydrophobicContact CG2-CG2 3.91Å; I515-V523 HydrophobicContact CD1-CG2 3.47Å; I515-V523 VanDerWaalsContact CD1-CG2 3.47Å; I515-V523 HydrophobicContact CG1-CG2 4.28Å; I515-L529 HydrophobicContact CD1-CD1 4.07Å; I515-L529 HydrophobicContact CD1-CD2 4.33Å; I515-L529 HydrophobicContact CG1-CD1 4.47Å; I515-L529 HydrophobicContact CG1-CD2 3.96Å; I515-T531 HydrophobicContact CG1-CG2 4.41Å; I515-P539 HydrophobicContact CB-CB 4.45Å; I515-P539 WeakPolarHBondContact O-CB 3.16Å; I515-S540 VanDerWaalsContact CG1-OG 3.22Å; I515-S540 WeakPolarHBondContact CG1-OG 3.11Å; I515-S540 PolarHBondContact N-OG 2.91Å; I515-V543 HydrophobicContact CG2-CG2 4.32Å
516D91.8Very high94.5Very high68 Ų6847.5 Ų47.536%0.36425%0.251SS..  trans-114.9179.6168.26525.7000110.1T518 F519 V520D516-T518 VanDerWaalsContact CG-OG1 3.31Å; D516-T518 PolarHBondContact O-N 3.03Å; D516-T518 VanDerWaalsContact O-N 3.08Å; D516-T518 VanDerWaalsContact OD1-CA 3.32Å; D516-T518 WeakPolarHBondContact OD1-CA 3.27Å; D516-T518 WeakPolarHBondContact OD1-CB 3.48Å; D516-T518 PolarHBondContact OD1-N 2.86Å; D516-T518 PolarHBondContact OD1-OG1 3.31Å; D516-T518 PolarHBondContact OD2-OG1 2.83Å; D516-F519 PolarHBondContact O-N 3.5Å; D516-F519 VanDerWaalsContact O-N 3.09Å; D516-F519 WeakPolarHBondContact OD1-CD2 3.47Å; D516-F519 PolarHBondContact OD1-N 3.08Å; D516-V520 WeakPolarHBondContact O-CG2 3.49Å; D516-V520 PolarHBondContact O-N 2.92Å
517E91.5Very high94.7Very high156 Ų15646.7 Ų46.773%0.72924%0.241SC*.THydrogen-bonded Turntrans-56.9-23.3178.365.8-79.8-175.900114
518T93.7Very high94.9Very high60 Ų6043.1 Ų43.137%0.36822%0.222SC..THydrogen-bonded Turntrans-83.6-27.2-179.970.70000112.4V497 D516 Y522V497-T518 WeakPolarHBondContact CG1-OG1 3.4Å; D516-T518 VanDerWaalsContact CG-OG1 3.31Å; D516-T518 PolarHBondContact O-N 3.03Å; D516-T518 VanDerWaalsContact O-N 3.08Å; D516-T518 VanDerWaalsContact OD1-CA 3.32Å; D516-T518 WeakPolarHBondContact OD1-CA 3.27Å; D516-T518 WeakPolarHBondContact OD1-CB 3.48Å; D516-T518 PolarHBondContact OD1-N 2.86Å; D516-T518 PolarHBondContact OD1-OG1 3.31Å; D516-T518 PolarHBondContact OD2-OG1 2.83Å; T518-Y522 WeakPolarHBondContact O-CD2 3.18Å
519F94.8Very high95Very high10 Ų1041.4 Ų41.44%0.04421%0.214CC..THydrogen-bonded Turntrans-79.8-30.8175.4-86-88.4000113.6A494 V497 L500 I515 D516 P521 Y522 V523A494-F519 HydrophobicContact CB-CE1 4.27Å; V497-F519 HydrophobicContact CG1-CB 4.33Å; V497-F519 HydrophobicContact CG1-CD1 3.98Å; V497-F519 HydrophobicContact CG1-CD2 3.37Å; V497-F519 HydrophobicContact CG1-CE1 4.12Å; V497-F519 HydrophobicContact CG1-CE2 3.54Å; V497-F519 HydrophobicContact CG1-CG 3.61Å; V497-F519 HydrophobicContact CG1-CZ 3.92Å; L500-F519 HydrophobicContact CD1-CD1 3.65Å; L500-F519 HydrophobicContact CD1-CE1 3.69Å; I515-F519 HydrophobicContact CD1-CB 3.63Å; I515-F519 HydrophobicContact CD1-CD1 4.13Å; I515-F519 HydrophobicContact CD1-CG 4Å; I515-F519 HydrophobicContact CG2-CB 4.05Å; D516-F519 PolarHBondContact O-N 3.5Å; D516-F519 VanDerWaalsContact O-N 3.09Å; D516-F519 WeakPolarHBondContact OD1-CD2 3.47Å; D516-F519 PolarHBondContact OD1-N 3.08Å; F519-P521 VanDerWaalsContact C-CD 3.45Å; F519-Y522 WeakPolarHBondContact O-CB 3.3Å; F519-Y522 PolarHBondContact O-N 3.47Å; F519-V523 PolarHBondContact O-N 2.98Å; F519-V523 VanDerWaalsContact O-N 3.09Å
520V93Very high95Very high41 Ų4141.4 Ų41.425%0.24821%0.214CC..Hα-helixtrans-49.3-45.6-174.31780000114.2I515 D516 Y522 V523 E524 V543I515-V520 HydrophobicContact CG2-CG2 3.91Å; D516-V520 WeakPolarHBondContact O-CG2 3.49Å; D516-V520 PolarHBondContact O-N 2.92Å; V520-Y522 PolarHBondContact O-N 2.91Å; V520-V523 PolarHBondContact O-N 2.82Å; V520-E524 PolarHBondContact O-N 3Å; V520-V543 HydrophobicContact CG1-CG1 4.34Å; V520-V543 HydrophobicContact CG2-CG2 3.87Å
521P93.3Very high95Very high57 Ų5741.4 Ų41.437%0.3721%0.214SC..Hα-helixtrans-66.5-16.1179.6-20.634.1000114.7F519 E524 K525F519-P521 VanDerWaalsContact C-CD 3.45Å; P521-E524 WeakPolarHBondContact O-CG 3.31Å; P521-K525 VanDerWaalsContact O-CE 3.27Å; P521-K525 WeakPolarHBondContact O-CE 3.49Å
522Y95.2Very high95Very high54 Ų5443.8 Ų43.821%0.21223%0.226CC..Hα-helixtrans-92.3-39.8175.8-63.5-77.8000111.4V497 L500 L505 T518 F519 V520 E524 K525V497-Y522 HydrophobicContact CB-CE2 4.3Å; L500-Y522 HydrophobicContact CB-CD1 3.88Å; L500-Y522 HydrophobicContact CB-CE1 4.26Å; L500-Y522 HydrophobicContact CB-CG 4.06Å; L500-Y522 HydrophobicContact CD1-CD2 4.39Å; L500-Y522 HydrophobicContact CD1-CG 4.03Å; L505-Y522 HydrophobicContact CD1-CD1 3.89Å; L505-Y522 HydrophobicContact CD1-CG 4.34Å; L505-Y522 WeakPolarHBondContact CD1-O 3.43Å; T518-Y522 WeakPolarHBondContact O-CD2 3.18Å; F519-Y522 WeakPolarHBondContact O-CB 3.3Å; F519-Y522 PolarHBondContact O-N 3.47Å; V520-Y522 PolarHBondContact O-N 2.91Å; Y522-E524 VanDerWaalsContact C-N 3.28Å; Y522-E524 PolarHBondContact O-N 2.87Å; Y522-K525 WeakPolarHBondContact O-CB 3.4Å; Y522-K525 PolarHBondContact O-N 3.16Å
523V93.9Very high94.7Very high1 Ų145.2 Ų45.21%0.00623%0.232CC..Hα-helixtrans-58.3-41.7177.9176.10000111.2I515 F519 V520 K525 A526 L529 V543 I549I515-V523 HydrophobicContact CD1-CG2 3.47Å; I515-V523 VanDerWaalsContact CD1-CG2 3.47Å; I515-V523 HydrophobicContact CG1-CG2 4.28Å; F519-V523 PolarHBondContact O-N 2.98Å; F519-V523 VanDerWaalsContact O-N 3.09Å; V520-V523 PolarHBondContact O-N 2.82Å; V523-K525 PolarHBondContact O-N 2.81Å; V523-A526 WeakPolarHBondContact O-CB 3.35Å; V523-A526 PolarHBondContact O-N 2.96Å; V523-L529 HydrophobicContact CG1-CD2 4.04Å; V523-L529 HydrophobicContact CG2-CD1 4.4Å; V523-L529 HydrophobicContact CG2-CD2 4.46Å; V523-V543 HydrophobicContact CB-CG1 4.19Å; V523-V543 HydrophobicContact CG1-CG1 3.84Å; V523-I549 HydrophobicContact CG1-CD1 4.23Å; V523-I549 WeakPolarHBondContact O-CD1 3.44Å
524E93.2Very high94.2Very high95 Ų9546.6 Ų46.644%0.44424%0.24SC..THydrogen-bonded Turntrans-63.5-12.6179.367.9179.1-172.500114.7V520 P521 Y522 K547V520-E524 PolarHBondContact O-N 3Å; P521-E524 WeakPolarHBondContact O-CG 3.31Å; Y522-E524 VanDerWaalsContact C-N 3.28Å; Y522-E524 PolarHBondContact O-N 2.87Å; E524-K547 HydrophobicContact CB-CD 4.1Å; E524-K547 HydrophobicContact CB-CG 4.4Å; E524-K547 IonicContact OE2-NZ 3.78Å; E524-K547 PolarHBondContact OE2-NZ 3.17Å
525K94.9Very high94Very high120 Ų12046.1 Ų46.152%0.52224%0.241SC..THydrogen-bonded Turntrans-99-7.7176.9-58.2175.1-175.1168.10112.7L505 S506 P521 Y522 V523L505-K525 CarbonylContact C-O 3.56Å; L505-K525 HydrophobicContact CB-CB 4.08Å; L505-K525 HydrophobicContact CD1-CB 4.34Å; S506-K525 WeakPolarHBondContact CA-O 3.3Å; S506-K525 PolarHBondContact N-O 3.02Å; P521-K525 VanDerWaalsContact O-CE 3.27Å; P521-K525 WeakPolarHBondContact O-CE 3.49Å; Y522-K525 WeakPolarHBondContact O-CB 3.4Å; Y522-K525 PolarHBondContact O-N 3.16Å; V523-K525 PolarHBondContact O-N 2.81Å
526A95.8Very high93.9Very high10 Ų1051.5 Ų51.58%0.08327%0.269CS..SBendtrans-88.6158.9-177.600000112.2L505 I510 V523L505-A526 WeakPolarHBondContact O-CA 3.41Å; I510-A526 HydrophobicContact CD1-CB 3.68Å; I510-A526 HydrophobicContact CG1-CB 3.88Å; V523-A526 WeakPolarHBondContact O-CB 3.35Å; V523-A526 PolarHBondContact O-N 2.96Å
527L95.5Very high94Very high57 Ų5753.6 Ų53.630%0.29828%0.284SS..SBendtrans-75.8-35170.9-78.9178.2000112.7V487 V488 S506 D507 K508V487-L527 HydrophobicContact CB-CB 4.41Å; V487-L527 HydrophobicContact CG2-CB 4.48Å; V487-L527 WeakPolarHBondContact CG2-O 3.39Å; V488-L527 WeakPolarHBondContact O-CD1 3.41Å; S506-L527 VanDerWaalsContact O-CG 3.28Å; S506-L527 WeakPolarHBondContact O-CG 3.3Å; D507-L527 VanDerWaalsContact CA-CD1 3.5Å; D507-L527 HydrophobicContact CB-CD1 4.5Å; K508-L527 PolarHBondContact O-N 2.96Å
528G96.3Very high94.1Very high0 Ų046.7 Ų46.70%025%0.253CS..EExtended strand (participates in β ladder)trans-157.5163.5-172.200000112.4V509 I510 P550V509-G528 WeakPolarHBondContact CA-O 3.5Å; I510-G528 PolarHBondContact N-O 3.39Å; G528-P550 WeakPolarHBondContact CA-O 3.48Å
529L97.2Very high94.2Very high0 Ų047.1 Ų47.10%026%0.257CS..EExtended strand (participates in β ladder)trans-135.7134.5-177.2177.165.1000111.7I510 T512 I515 V523 T531 P550 T551 V552I510-L529 HydrophobicContact CB-CD1 4.16Å; I510-L529 HydrophobicContact CG2-CD1 4.23Å; T512-L529 HydrophobicContact CG2-CD1 4.21Å; I515-L529 HydrophobicContact CD1-CD1 4.07Å; I515-L529 HydrophobicContact CD1-CD2 4.33Å; I515-L529 HydrophobicContact CG1-CD1 4.47Å; I515-L529 HydrophobicContact CG1-CD2 3.96Å; V523-L529 HydrophobicContact CG1-CD2 4.04Å; V523-L529 HydrophobicContact CG2-CD1 4.4Å; V523-L529 HydrophobicContact CG2-CD2 4.46Å; L529-T531 HydrophobicContact CD1-CG2 3.81Å; L529-T531 HydrophobicContact CD2-CG2 4.19Å; L529-T531 HydrophobicContact CG-CG2 3.9Å; L529-P550 PolarHBondContact N-O 3.28Å; L529-T551 HydrophobicContact CB-CG2 3.97Å; L529-T551 HydrophobicContact CD2-CG2 3.87Å; L529-T551 HydrophobicContact CG-CG2 3.95Å; L529-T551 CarbonylContact O-C 3.57Å; L529-T551 VanDerWaalsContact O-CA 3.24Å; L529-T551 WeakPolarHBondContact O-CA 3.39Å; L529-V552 PolarHBondContact O-N 3.11Å
530I97.7Very high94.2Very high0 Ų046.7 Ų46.70%026%0.255CS..EExtended strand (participates in β ladder)trans-127126.3174.4-60.4164.8000108.1V509 I510 V511 T512 V552 V555 A558 I562 I570 I577V509-I530 HydrophobicContact CG1-CD1 3.63Å; V509-I530 HydrophobicContact CG1-CG1 4Å; I510-I530 PolarHBondContact O-N 3.21Å; V511-I530 WeakPolarHBondContact CA-O 3.43Å; V511-I530 HydrophobicContact CG1-CB 4.34Å; V511-I530 HydrophobicContact CG1-CG2 4.26Å; V511-I530 HydrophobicContact CG2-CB 4.25Å; V511-I530 HydrophobicContact CG2-CD1 4.09Å; T512-I530 PolarHBondContact N-O 3.27Å; I530-V552 WeakPolarHBondContact CA-O 3.27Å; I530-V555 HydrophobicContact CG2-CB 3.98Å; I530-V555 HydrophobicContact CG2-CG1 4.19Å; I530-V555 HydrophobicContact CG2-CG2 3.8Å; I530-A558 HydrophobicContact CG2-CB 3.9Å; I530-I562 HydrophobicContact CD1-CD1 4.07Å; I530-I562 HydrophobicContact CG2-CD1 4.03Å; I530-I570 HydrophobicContact CD1-CD1 4.07Å; I530-I570 HydrophobicContact CD1-CG1 4.06Å; I530-I570 HydrophobicContact CG1-CD1 3.88Å; I530-I570 HydrophobicContact CG1-CG1 4.18Å; I530-I577 HydrophobicContact CB-CD1 4.49Å; I530-I577 HydrophobicContact CD1-CD1 3.67Å; I530-I577 HydrophobicContact CD1-CG1 4.15Å; I530-I577 HydrophobicContact CD1-CG2 4.16Å; I530-I577 HydrophobicContact CG1-CD1 3.85Å; I530-I577 HydrophobicContact CG1-CG1 4.46Å; I530-I577 HydrophobicContact CG2-CD1 3.79Å
531T97.6Very high94.4Very high0 Ų044.8 Ų44.80%024%0.243CC..EExtended strand (participates in β ladder)trans-130.2148178.565.70000114.2T512 I515 L529 S540 V552 V553 G554 V555T512-T531 HydrophobicContact CG2-CG2 3.74Å; T512-T531 VanDerWaalsContact O-CA 3.27Å; T512-T531 WeakPolarHBondContact O-CA 3.45Å; I515-T531 HydrophobicContact CG1-CG2 4.41Å; L529-T531 HydrophobicContact CD1-CG2 3.81Å; L529-T531 HydrophobicContact CD2-CG2 4.19Å; L529-T531 HydrophobicContact CG-CG2 3.9Å; T531-S540 VanDerWaalsContact CG2-OG 3.23Å; T531-S540 WeakPolarHBondContact CG2-OG 3.34Å; T531-S540 PolarHBondContact OG1-OG 2.87Å; T531-V552 PolarHBondContact N-O 3.22Å; T531-V553 CarbonylContact O-C 3.57Å; T531-V553 WeakPolarHBondContact OG1-CG1 3Å; T531-G554 PolarHBondContact O-N 3.23Å; T531-V555 PolarHBondContact O-N 3.04Å
532E97.1Very high94.5Very high50 Ų5045.6 Ų45.623%0.23424%0.244CC..SBendtrans-75.3-28172.1-58.8-166177.400112T512 N513 V555 K557 A558 V559T512-E532 PolarHBondContact O-N 3.05Å; N513-E532 PolarHBondContact O-N 2.84Å; E532-V555 WeakPolarHBondContact CA-O 3.34Å; E532-K557 WeakPolarHBondContact OE1-CA 3.32Å; E532-A558 HydrophobicContact CG-CB 3.72Å; E532-A558 PolarHBondContact OE1-N 2.91Å; E532-V559 HydrophobicContact CG-CG2 4.33Å; E532-V559 WeakPolarHBondContact OE1-CB 3.23Å; E532-V559 PolarHBondContact OE1-N 2.9Å
533E91.5Very high94.4Very high32 Ų3243.7 Ų43.715%0.1524%0.238CC..  trans-61.4140.4178.672.4167.5-172.900112N513 S514 S538 S540 V553 G554N513-E533 WeakPolarHBondContact O-CB 3.22Å; N513-E533 PolarHBondContact O-N 3.08Å; S514-E533 VanDerWaalsContact CB-OE2 3.23Å; S514-E533 WeakPolarHBondContact CB-OE2 3.46Å; S514-E533 VanDerWaalsContact OG-CD 3.24Å; S514-E533 PolarHBondContact OG-OE2 2.98Å; E533-S538 WeakPolarHBondContact OE1-CB 3.24Å; E533-S538 PolarHBondContact OE1-OG 2.89Å; E533-S540 WeakPolarHBondContact OE1-CA 3.42Å; E533-S540 WeakPolarHBondContact OE1-CB 3.43Å; E533-S540 PolarHBondContact OE1-N 3.49Å; E533-S540 PolarHBondContact OE1-OG 3.3Å; E533-V553 CarbonylContact O-C 3.58Å; E533-V553 WeakPolarHBondContact O-CB 3.1Å; E533-G554 WeakPolarHBondContact O-CA 3.48Å; E533-G554 PolarHBondContact O-N 3.49Å
534N84.6Confident94.4Very high124 Ų12443.7 Ų43.766%0.66324%0.238SC*.  trans-99.6150.1179.6-89.4-73.2000111.5G554N534-G554 WeakPolarHBondContact OD1-CA 3.48Å
535G90.4Very high94.5Very high30 Ų3044.5 Ų44.531%0.30925%0.245SC..  trans125.4133.2166.800000113.6T537 S538 A541G535-T537 PolarHBondContact O-N 3.17Å; G535-S538 VanDerWaalsContact O-CB 3.28Å; G535-S538 WeakPolarHBondContact O-CB 3.42Å; G535-S538 PolarHBondContact O-N 3.22Å; G535-S538 VanDerWaalsContact O-N 3.17Å; G535-S538 PolarHBondContact O-OG 3.16Å; G535-A541 WeakPolarHBondContact O-CB 3.38Å
536I92.3Very high94.5Very high117 Ų11746 Ų4660%0.625%0.254SS*.THydrogen-bonded Turntrans-70.3-14.7179.960.5171.9000113.9Q480 I482 A541Q480-I536 HydrophobicContact CG-CG2 3.76Å; I482-I536 HydrophobicContact CD1-CB 4.27Å; I482-I536 HydrophobicContact CD1-CG2 4.09Å; I536-A541 WeakPolarHBondContact O-CB 3.06Å
537T93.6Very high94.3Very high112 Ų11250 Ų5069%0.68727%0.269SS*.THydrogen-bonded Turntrans-11518.1174.959.20000111.9G535 I542G535-T537 PolarHBondContact O-N 3.17Å; T537-I542 WeakPolarHBondContact O-CD1 3.35Å
538S95.2Very high94.2Very high11 Ų1150.3 Ų50.38%0.07729%0.286CS..SBendtrans-66.5158.4173.860.60000110.6E533 G535 S540 A541 I542E533-S538 WeakPolarHBondContact OE1-CB 3.24Å; E533-S538 PolarHBondContact OE1-OG 2.89Å; G535-S538 VanDerWaalsContact O-CB 3.28Å; G535-S538 WeakPolarHBondContact O-CB 3.42Å; G535-S538 PolarHBondContact O-N 3.22Å; G535-S538 VanDerWaalsContact O-N 3.17Å; G535-S538 PolarHBondContact O-OG 3.16Å; S538-S540 PolarHBondContact O-N 3.18Å; S538-A541 PolarHBondContact O-N 3.3Å; S538-A541 VanDerWaalsContact O-N 3.13Å; S538-A541 VanDerWaalsContact OG-CB 3.31Å; S538-A541 WeakPolarHBondContact OG-CB 3.36Å; S538-A541 PolarHBondContact OG-N 3.19Å; S538-I542 WeakPolarHBondContact O-CG1 3.36Å; S538-I542 PolarHBondContact O-N 3.09Å
539P94.7Very high94.2Very high69 Ų6951 Ų5145%0.44829%0.29SS..Hα-helixtrans-51.6-42.2172.4-27.136000112.6I515 A541 I542 V543I515-P539 HydrophobicContact CB-CB 4.45Å; I515-P539 WeakPolarHBondContact O-CB 3.16Å; P539-A541 PolarHBondContact O-N 2.81Å; P539-I542 PolarHBondContact O-N 3.05Å; P539-V543 WeakPolarHBondContact O-CB 3.14Å; P539-V543 WeakPolarHBondContact O-CG2 3.36Å; P539-V543 PolarHBondContact O-N 2.85Å
540S95.8Very high94.1Very high0 Ų051.7 Ų51.70%029%0.294CS..Hα-helixtrans-62-45.6177.1-56.40000112.3I515 T531 E533 S538 G544I515-S540 VanDerWaalsContact CG1-OG 3.22Å; I515-S540 WeakPolarHBondContact CG1-OG 3.11Å; I515-S540 PolarHBondContact N-OG 2.91Å; T531-S540 VanDerWaalsContact CG2-OG 3.23Å; T531-S540 WeakPolarHBondContact CG2-OG 3.34Å; T531-S540 PolarHBondContact OG1-OG 2.87Å; E533-S540 WeakPolarHBondContact OE1-CA 3.42Å; E533-S540 WeakPolarHBondContact OE1-CB 3.43Å; E533-S540 PolarHBondContact OE1-N 3.49Å; E533-S540 PolarHBondContact OE1-OG 3.3Å; S538-S540 PolarHBondContact O-N 3.18Å; S540-G544 PolarHBondContact O-N 3.49Å
541A95.8Very high94.1Very high1 Ų151.7 Ų51.71%0.00829%0.294CS..Hα-helixtrans-64.5-46.2-179.500000111.6I482 G535 I536 S538 P539 G544 L545 V553I482-A541 HydrophobicContact CD1-CB 3.87Å; I482-A541 HydrophobicContact CG1-CB 3.76Å; I482-A541 HydrophobicContact CG2-CB 4.22Å; I482-A541 WeakPolarHBondContact CG2-O 3.23Å; G535-A541 WeakPolarHBondContact O-CB 3.38Å; I536-A541 WeakPolarHBondContact O-CB 3.06Å; S538-A541 PolarHBondContact O-N 3.3Å; S538-A541 VanDerWaalsContact O-N 3.13Å; S538-A541 VanDerWaalsContact OG-CB 3.31Å; S538-A541 WeakPolarHBondContact OG-CB 3.36Å; S538-A541 PolarHBondContact OG-N 3.19Å; P539-A541 PolarHBondContact O-N 2.81Å; A541-G544 PolarHBondContact O-N 2.8Å; A541-L545 WeakPolarHBondContact O-CB 3.32Å; A541-L545 PolarHBondContact O-N 3.44Å; A541-V553 HydrophobicContact CB-CG1 4.17Å
542I95.4Very high94.1Very high74 Ų7451.7 Ų51.738%0.37929%0.294SS..Hα-helixtrans-64.1-47.3-179.2-67.8173.2000110.3T537 S538 P539 G544 L545 E546T537-I542 WeakPolarHBondContact O-CD1 3.35Å; S538-I542 WeakPolarHBondContact O-CG1 3.36Å; S538-I542 PolarHBondContact O-N 3.09Å; P539-I542 PolarHBondContact O-N 3.05Å; I542-G544 PolarHBondContact O-N 3.24Å; I542-L545 PolarHBondContact O-N 3.37Å; I542-E546 HydrophobicContact CG2-CG 4.19Å; I542-E546 WeakPolarHBondContact O-CB 3.25Å; I542-E546 WeakPolarHBondContact O-CG 3.33Å; I542-E546 PolarHBondContact O-N 3.32Å
543V94.4Very high94.1Very high15 Ų1549.3 Ų49.39%0.09128%0.283CS..Hα-helixtrans-62.9-44.6-179.9172.70000111I515 V520 V523 P539 L545 K547I515-V543 HydrophobicContact CG2-CG2 4.32Å; V520-V543 HydrophobicContact CG1-CG1 4.34Å; V520-V543 HydrophobicContact CG2-CG2 3.87Å; V523-V543 HydrophobicContact CB-CG1 4.19Å; V523-V543 HydrophobicContact CG1-CG1 3.84Å; P539-V543 WeakPolarHBondContact O-CB 3.14Å; P539-V543 WeakPolarHBondContact O-CG2 3.36Å; P539-V543 PolarHBondContact O-N 2.85Å; V543-L545 PolarHBondContact O-N 2.95Å; V543-K547 HydrophobicContact CG1-CG 4.32Å; V543-K547 WeakPolarHBondContact O-CB 3.46Å; V543-K547 VanDerWaalsContact O-CG 3.23Å; V543-K547 WeakPolarHBondContact O-CG 3.3Å; V543-K547 PolarHBondContact O-N 3.17Å
544G94.2Very high94.4Very high0 Ų048.5 Ų48.50%028%0.283CS..Hα-helixtrans-57.8-46.7175.600000112.3S540 A541 I542 G548 I549 T551S540-G544 PolarHBondContact O-N 3.49Å; A541-G544 PolarHBondContact O-N 2.8Å; I542-G544 PolarHBondContact O-N 3.24Å; G544-G548 PolarHBondContact O-N 3.03Å; G544-I549 PolarHBondContact O-N 2.96Å; G544-T551 WeakPolarHBondContact CA-OG1 3.36Å
545L94.3Very high94.9Very high112 Ų11242.7 Ų42.759%0.58625%0.252SS*.Hα-helixtrans-67.4-46.1-179.8-168.370.1000112.7I482 A541 I542 V543 K547 G548I482-L545 HydrophobicContact CG2-CB 4.03Å; I482-L545 HydrophobicContact CG2-CD1 4.37Å; A541-L545 WeakPolarHBondContact O-CB 3.32Å; A541-L545 PolarHBondContact O-N 3.44Å; I542-L545 PolarHBondContact O-N 3.37Å; V543-L545 PolarHBondContact O-N 2.95Å; L545-K547 VanDerWaalsContact C-N 3.31Å; L545-K547 PolarHBondContact O-N 3.09Å; L545-G548 PolarHBondContact O-N 2.83Å
546E94.5Very high95.2Very high152 Ų15247.8 Ų47.871%0.7127%0.268SS*.Hα-helixtrans-64.1-35.9-179.8-77.3-172.4170.800112.5I542I542-E546 HydrophobicContact CG2-CG 4.19Å; I542-E546 WeakPolarHBondContact O-CB 3.25Å; I542-E546 WeakPolarHBondContact O-CG 3.33Å; I542-E546 PolarHBondContact O-N 3.32Å
547K93.1Very high95.3Very high94 Ų9447.1 Ų47.141%0.40926%0.261SS..Hα-helixtrans-87.9-4.8179.4-58.6-66.3178.41580113.1E524 V543 L545 I549E524-K547 HydrophobicContact CB-CD 4.1Å; E524-K547 HydrophobicContact CB-CG 4.4Å; E524-K547 IonicContact OE2-NZ 3.78Å; E524-K547 PolarHBondContact OE2-NZ 3.17Å; V543-K547 HydrophobicContact CG1-CG 4.32Å; V543-K547 WeakPolarHBondContact O-CB 3.46Å; V543-K547 VanDerWaalsContact O-CG 3.23Å; V543-K547 WeakPolarHBondContact O-CG 3.3Å; V543-K547 PolarHBondContact O-N 3.17Å; L545-K547 VanDerWaalsContact C-N 3.31Å; L545-K547 PolarHBondContact O-N 3.09Å; K547-I549 VanDerWaalsContact C-N 3.3Å; K547-I549 HydrophobicContact CB-CD1 3.91Å; K547-I549 HydrophobicContact CB-CG1 4.01Å; K547-I549 PolarHBondContact O-N 3.29Å
548G93.4Very high95.4Very high63 Ų6341.8 Ų41.865%0.64923%0.228SC*.THydrogen-bonded Turntrans69.625.6-17900000113.8G544 L545G544-G548 PolarHBondContact O-N 3.03Å; L545-G548 PolarHBondContact O-N 2.83Å
549I95.1Very high95.4Very high16 Ų1642.3 Ų42.38%0.08223%0.231CC..  trans-96.8122.3-176.5-65177.3000109.3V523 G544 K547 T551V523-I549 HydrophobicContact CG1-CD1 4.23Å; V523-I549 WeakPolarHBondContact O-CD1 3.44Å; G544-I549 PolarHBondContact O-N 2.96Å; K547-I549 VanDerWaalsContact C-N 3.3Å; K547-I549 HydrophobicContact CB-CD1 3.91Å; K547-I549 HydrophobicContact CB-CG1 4.01Å; K547-I549 PolarHBondContact O-N 3.29Å; I549-T551 PolarHBondContact O-N 2.69Å; I549-T551 VanDerWaalsContact O-N 3.16Å; I549-T551 PolarHBondContact O-OG1 3.44Å
550P96Very high95.3Very high13 Ų1347.5 Ų47.58%0.08425%0.246CC..  trans-56.9121.2175-2737.8000111.4V487 G528 L529 I570 A572V487-P550 HydrophobicContact CG1-CG 4.05Å; V487-P550 HydrophobicContact CG2-CB 4.22Å; V487-P550 HydrophobicContact CG2-CG 4.25Å; G528-P550 WeakPolarHBondContact CA-O 3.48Å; L529-P550 PolarHBondContact N-O 3.28Å; P550-I570 HydrophobicContact CB-CG2 4.47Å; P550-A572 HydrophobicContact CB-CB 3.98Å
551T97.3Very high95.2Very high0 Ų052.5 Ų52.50%027%0.273CS..EExtended strand (participates in β ladder)trans-129.8142.4-171.8-59.50000110.6G481 I482 L529 G544 I549 V553G481-T551 CarbonylContact C-O 3.6Å; I482-T551 PolarHBondContact N-O 2.71Å; I482-T551 PolarHBondContact O-N 2.89Å; L529-T551 HydrophobicContact CB-CG2 3.97Å; L529-T551 HydrophobicContact CD2-CG2 3.87Å; L529-T551 HydrophobicContact CG-CG2 3.95Å; L529-T551 CarbonylContact O-C 3.57Å; L529-T551 VanDerWaalsContact O-CA 3.24Å; L529-T551 WeakPolarHBondContact O-CA 3.39Å; G544-T551 WeakPolarHBondContact CA-OG1 3.36Å; I549-T551 PolarHBondContact O-N 2.69Å; I549-T551 VanDerWaalsContact O-N 3.16Å; I549-T551 PolarHBondContact O-OG1 3.44Å; T551-V553 HydrophobicContact CG2-CG1 3.84Å
552V97.4Very high95.1Very high0 Ų052.8 Ų52.80%027%0.274CS..EExtended strand (participates in β ladder)trans-125.5117.5169.1-173.60000108.5L529 I530 T531 V555 I570 I577L529-V552 PolarHBondContact O-N 3.11Å; I530-V552 WeakPolarHBondContact CA-O 3.27Å; T531-V552 PolarHBondContact N-O 3.22Å; V552-V555 HydrophobicContact CB-CG2 4.15Å; V552-V555 HydrophobicContact CG1-CG2 3.55Å; V552-I570 HydrophobicContact CG2-CG2 3.59Å; V552-I577 HydrophobicContact CB-CD1 4.5Å; V552-I577 HydrophobicContact CG2-CG1 4.44Å
553V97.4Very high95Very high0 Ų052.9 Ų52.90%028%0.282CS..EExtended strand (participates in β ladder)trans-102.3158.9178.6-53.90000109.8G479 Q480 I482 T531 E533 A541 T551G479-V553 CarbonylContact C-O 3.58Å; Q480-V553 HydrophobicContact CB-CG2 3.9Å; Q480-V553 HydrophobicContact CG-CG2 4.29Å; Q480-V553 PolarHBondContact N-O 2.99Å; Q480-V553 WeakPolarHBondContact O-CG2 3.41Å; Q480-V553 PolarHBondContact O-N 3.26Å; I482-V553 HydrophobicContact CD1-CG2 4.36Å; I482-V553 HydrophobicContact CG1-CG1 4.12Å; I482-V553 HydrophobicContact CG1-CG2 4.12Å; T531-V553 CarbonylContact O-C 3.57Å; T531-V553 WeakPolarHBondContact OG1-CG1 3Å; E533-V553 CarbonylContact O-C 3.58Å; E533-V553 WeakPolarHBondContact O-CB 3.1Å; A541-V553 HydrophobicContact CB-CG1 4.17Å; T551-V553 HydrophobicContact CG2-CG1 3.84Å
554G96.7Very high95Very high16 Ų1656.4 Ų56.417%0.16530%0.3CS..  trans77.623.6176.100000114.6T531 E533 N534 E556T531-G554 PolarHBondContact O-N 3.23Å; E533-G554 WeakPolarHBondContact O-CA 3.48Å; E533-G554 PolarHBondContact O-N 3.49Å; N534-G554 WeakPolarHBondContact OD1-CA 3.48Å; G554-E556 PolarHBondContact O-N 2.9Å
555V97.1Very high94.9Very high2 Ų261.7 Ų61.71%0.01233%0.328CS..  trans-80.5116.3-177.1-179.10000109.9A477 I530 T531 E532 V552 K557 A558 I562 I577A477-V555 HydrophobicContact CB-CG1 3.69Å; I530-V555 HydrophobicContact CG2-CB 3.98Å; I530-V555 HydrophobicContact CG2-CG1 4.19Å; I530-V555 HydrophobicContact CG2-CG2 3.8Å; T531-V555 PolarHBondContact O-N 3.04Å; E532-V555 WeakPolarHBondContact CA-O 3.34Å; V552-V555 HydrophobicContact CB-CG2 4.15Å; V552-V555 HydrophobicContact CG1-CG2 3.55Å; V555-K557 PolarHBondContact O-N 2.57Å; V555-K557 VanDerWaalsContact O-N 3.09Å; V555-A558 HydrophobicContact CB-CB 3.89Å; V555-A558 HydrophobicContact CG1-CB 3.74Å; V555-A558 PolarHBondContact O-N 3.01Å; V555-I562 HydrophobicContact CG1-CD1 4.44Å; V555-I577 HydrophobicContact CG1-CD1 4.19Å; V555-I577 HydrophobicContact CG2-CD1 3.99Å
556E95Very high94.8Very high136 Ų13658.2 Ų58.264%0.63631%0.309SS*.THydrogen-bonded Turntrans-60.2117.4-173.4-167.8-168.6157.300111.8G554 A558 N561G554-E556 PolarHBondContact O-N 2.9Å; E556-A558 PolarHBondContact O-N 3.38Å; E556-N561 PolarHBondContact O-ND2 2.99Å; E556-N561 VanDerWaalsContact O-ND2 3.09Å
557K94.8Very high94.6Very high104 Ų10454.7 Ų54.745%0.45230%0.295SS..THydrogen-bonded Turntrans5236.5177-61.9165.1-171.5131.90112.4E532 V555 V559 K560 N561E532-K557 WeakPolarHBondContact OE1-CA 3.32Å; V555-K557 PolarHBondContact O-N 2.57Å; V555-K557 VanDerWaalsContact O-N 3.09Å; K557-V559 PolarHBondContact O-N 2.82Å; K557-K560 HydrophobicContact CB-CB 4.39Å; K557-K560 PolarHBondContact O-N 2.77Å; K557-N561 WeakPolarHBondContact O-CB 3.41Å; K557-N561 PolarHBondContact O-N 3.35Å
558A95.2Very high94.6Very high0 Ų050.2 Ų50.20%028%0.275CS..Hα-helixtrans-46.8-44.5-178.700000113.4V511 I530 E532 V555 E556 K560 N561 I562V511-A558 HydrophobicContact CG1-CB 3.75Å; I530-A558 HydrophobicContact CG2-CB 3.9Å; E532-A558 HydrophobicContact CG-CB 3.72Å; E532-A558 PolarHBondContact OE1-N 2.91Å; V555-A558 HydrophobicContact CB-CB 3.89Å; V555-A558 HydrophobicContact CG1-CB 3.74Å; V555-A558 PolarHBondContact O-N 3.01Å; E556-A558 PolarHBondContact O-N 3.38Å; A558-K560 VanDerWaalsContact C-N 3.25Å; A558-K560 PolarHBondContact O-N 3.08Å; A558-N561 PolarHBondContact O-N 3.09Å; A558-I562 HydrophobicContact CB-CD1 4.26Å; A558-I562 VanDerWaalsContact O-CB 3.3Å; A558-I562 WeakPolarHBondContact O-CB 2.99Å; A558-I562 PolarHBondContact O-N 3.46Å
559V95.3Very high94.5Very high22 Ų2247.2 Ų47.213%0.13325%0.245CC..Hα-helixtrans-64.7-31.1-178.11760000111.6V493 E495 E532 K557V493-V559 HydrophobicContact CG1-CB 4.32Å; V493-V559 HydrophobicContact CG1-CG1 3.68Å; E495-V559 HydrophobicContact CG-CG1 3.84Å; E532-V559 HydrophobicContact CG-CG2 4.33Å; E532-V559 WeakPolarHBondContact OE1-CB 3.23Å; E532-V559 PolarHBondContact OE1-N 2.9Å; K557-V559 PolarHBondContact O-N 2.82Å
560K93.8Very high94.4Very high177 Ų17746.5 Ų46.577%0.7724%0.241SC*.Hα-helixtrans-91.6-36.7179.9-66-174.9176.8179.80113.3K557 A558K557-K560 HydrophobicContact CB-CB 4.39Å; K557-K560 PolarHBondContact O-N 2.77Å; A558-K560 VanDerWaalsContact C-N 3.25Å; A558-K560 PolarHBondContact O-N 3.08Å
561N93.8Very high94.2Very high106 Ų10646 Ų4657%0.56724%0.237SC*.Hα-helixtrans-88.5-33.6-170.3-70.1-10.6000112.3E556 K557 A558E556-N561 PolarHBondContact O-ND2 2.99Å; E556-N561 VanDerWaalsContact O-ND2 3.09Å; K557-N561 WeakPolarHBondContact O-CB 3.41Å; K557-N561 PolarHBondContact O-N 3.35Å; A558-N561 PolarHBondContact O-N 3.09Å
562I93.7Very high94.1Very high7 Ų746 Ų464%0.03624%0.238CC..SBendtrans-89120.7179.5-57.4178.6000108.3A477 T491 V493 V511 I530 V555 A558 I577A477-I562 HydrophobicContact CB-CD1 4.2Å; T491-I562 HydrophobicContact CG2-CG2 3.75Å; V493-I562 WeakPolarHBondContact CG2-O 3.22Å; V511-I562 HydrophobicContact CG1-CD1 4.45Å; V511-I562 HydrophobicContact CG2-CG2 4.28Å; I530-I562 HydrophobicContact CD1-CD1 4.07Å; I530-I562 HydrophobicContact CG2-CD1 4.03Å; V555-I562 HydrophobicContact CG1-CD1 4.44Å; A558-I562 HydrophobicContact CB-CD1 4.26Å; A558-I562 VanDerWaalsContact O-CB 3.3Å; A558-I562 WeakPolarHBondContact O-CB 2.99Å; A558-I562 PolarHBondContact O-N 3.46Å; I562-I577 HydrophobicContact CD1-CD1 4.08Å
563S93.1Very high93.8Very high76 Ų7648.8 Ų48.853%0.53126%0.261SS..PPolyproline II helixtrans-67.5144.2-179.9-68.90000111.2T491 M566T491-S563 PolarHBondContact OG1-O 3.28Å; S563-M566 WeakPolarHBondContact O-CB 3.38Å
564N94.2Very high93.4Very high88 Ų8854.8 Ų54.847%0.47129%0.289SS..THydrogen-bonded Turntrans-72.1146.2174.2-163.619.3000111.2T491 L492 V493 M566T491-N564 PolarHBondContact O-OD1 3.48Å; L492-N564 WeakPolarHBondContact CA-OD1 3.17Å; V493-N564 HydrophobicContact CB-CB 4.16Å; V493-N564 HydrophobicContact CG2-CB 3.91Å; V493-N564 PolarHBondContact N-OD1 2.97Å; N564-M566 PolarHBondContact O-N 3.06Å
565N92.5Very high93.2Very high112 Ų11254 Ų5460%0.59928%0.281SS*.THydrogen-bonded Turntrans58.328.1-178.5-157.552.9000114.5T491T491-N565 VanDerWaalsContact O-CA 3.25Å; T491-N565 WeakPolarHBondContact O-CA 3.45Å; T491-N565 PolarHBondContact O-N 3.48Å; T491-N565 PolarHBondContact OG1-N 2.97Å
566M91.4Very high93.1Very high38 Ų3857.3 Ų57.319%0.18730%0.295CS..  trans-90.8135174.9-178178.5-17900109.4I476 T490 T491 S563 N564 V568 E579I476-M566 HydrophobicContact CD1-CE 4.04Å; I476-M566 HydrophobicContact CD1-SD 4.25Å; I476-M566 HydrophobicContact CG2-CE 4.39Å; T490-M566 CarbonylContact C-O 3.57Å; T490-M566 WeakPolarHBondContact CA-O 3.15Å; T491-M566 PolarHBondContact N-O 3.09Å; T491-M566 PolarHBondContact OG1-N 2.86Å; T491-M566 PolarHBondContact OG1-O 3.44Å; S563-M566 WeakPolarHBondContact O-CB 3.38Å; N564-M566 PolarHBondContact O-N 3.06Å; M566-V568 HydrophobicContact CB-CG1 4.46Å; M566-V568 HydrophobicContact CG-CG1 4.05Å; M566-V568 PolarHBondContact O-N 2.98Å; M566-V568 HydrophobicContact SD-CG1 4.29Å; M566-E579 HydrophobicContact CE-CB 3.64Å; M566-E579 VanDerWaalsContact CE-CD 3.46Å; M566-E579 HydrophobicContact CE-CG 3.37Å; M566-E579 WeakPolarHBondContact CE-OE1 3.31Å
567L91Very high93Very high78 Ų7850.8 Ų50.841%0.40827%0.265SS..EExtended strand (participates in β ladder)trans-72.6125.4171.6-17172000109V488 T490 G580V488-L567 HydrophobicContact CG1-CD1 3.91Å; V488-L567 HydrophobicContact CG1-CD2 4.49Å; V488-L567 HydrophobicContact CG1-CG 4.13Å; T490-L567 HydrophobicContact CG2-CB 4.4Å; T490-L567 HydrophobicContact CG2-CD1 3.88Å; L567-G580 WeakPolarHBondContact O-CA 3.28Å; L567-G580 PolarHBondContact O-N 3.28Å
568V92.6Very high92.7Very high0 Ų046.8 Ų46.80%025%0.247CC..EExtended strand (participates in β ladder)trans-134.2157.9179.9-60.80000111.2I476 V488 G489 T491 V509 M566 I577 F578 G580I476-V568 HydrophobicContact CD1-CG1 3.82Å; V488-V568 WeakPolarHBondContact CA-O 3.49Å; G489-V568 PolarHBondContact N-O 2.94Å; G489-V568 PolarHBondContact O-N 2.85Å; T491-V568 HydrophobicContact CG2-CB 4.15Å; T491-V568 HydrophobicContact CG2-CG1 3.56Å; T491-V568 HydrophobicContact CG2-CG2 3.45Å; T491-V568 VanDerWaalsContact CG2-CG2 3.45Å; V509-V568 HydrophobicContact CB-CG2 4.29Å; V509-V568 HydrophobicContact CG1-CG2 4.32Å; V509-V568 HydrophobicContact CG2-CG2 4.29Å; M566-V568 HydrophobicContact CB-CG1 4.46Å; M566-V568 HydrophobicContact CG-CG1 4.05Å; M566-V568 PolarHBondContact O-N 2.98Å; M566-V568 HydrophobicContact SD-CG1 4.29Å; V568-I577 HydrophobicContact CB-CG2 4.22Å; V568-F578 VanDerWaalsContact CA-O 3.3Å; V568-F578 WeakPolarHBondContact CA-O 3.35Å; V568-G580 CarbonylContact C-O 3.57Å
569T91.3Very high92.3Very high1 Ų150.9 Ų50.91%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-114127.6166.1-55.60000109.8V487 V488 I577 F578 G580 Y581 A582 L585V487-T569 WeakPolarHBondContact O-CA 3.34Å; V488-T569 HydrophobicContact CG2-CG2 4.1Å; V488-T569 WeakPolarHBondContact CG2-OG1 3.43Å; T569-I577 WeakPolarHBondContact O-CA 3.47Å; T569-F578 PolarHBondContact N-O 3.28Å; T569-F578 PolarHBondContact O-N 3.17Å; T569-G580 PolarHBondContact N-O 3.48Å; T569-G580 VanDerWaalsContact N-O 3.15Å; T569-G580 PolarHBondContact OG1-O 3.5Å; T569-Y581 WeakPolarHBondContact OG1-CA 3.46Å; T569-A582 HydrophobicContact CG2-CB 3.87Å; T569-A582 PolarHBondContact OG1-N 3.13Å; T569-L585 HydrophobicContact CG2-CD1 4.04Å
570I93.1Very high91.6Very high0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-98.7134171.3-62.2164.1000109.2S486 V487 V509 I530 P550 V552S486-I570 WeakPolarHBondContact CA-O 3.37Å; S486-I570 WeakPolarHBondContact CB-O 3.4Å; V487-I570 HydrophobicContact CG2-CB 4.31Å; V487-I570 HydrophobicContact CG2-CD1 4.34Å; V487-I570 PolarHBondContact N-O 2.78Å; V487-I570 PolarHBondContact O-N 2.72Å; V509-I570 HydrophobicContact CB-CD1 4.15Å; V509-I570 HydrophobicContact CG1-CD1 3.24Å; V509-I570 HydrophobicContact CG1-CG1 4.16Å; V509-I570 HydrophobicContact CG2-CD1 3.78Å; I530-I570 HydrophobicContact CD1-CD1 4.07Å; I530-I570 HydrophobicContact CD1-CG1 4.06Å; I530-I570 HydrophobicContact CG1-CD1 3.88Å; I530-I570 HydrophobicContact CG1-CG1 4.18Å; P550-I570 HydrophobicContact CB-CG2 4.47Å; V552-I570 HydrophobicContact CG2-CG2 3.59Å
571D92.4Very high90.8Very high2 Ų247.9 Ų47.91%0.01125%0.254CS..EExtended strand (participates in β ladder)trans-119.5105.7166.6169.66.7000110.3A573 Q574 G575 K576 L585D571-A573 VanDerWaalsContact C-N 3.3Å; D571-A573 PolarHBondContact O-N 3.45Å; D571-A573 WeakPolarHBondContact OD1-CA 3.4Å; D571-A573 WeakPolarHBondContact OD1-CB 3.46Å; D571-A573 PolarHBondContact OD1-N 2.51Å; D571-Q574 PolarHBondContact OD1-N 2.85Å; D571-Q574 VanDerWaalsContact OD2-CB 3.22Å; D571-Q574 WeakPolarHBondContact OD2-CB 3.44Å; D571-Q574 WeakPolarHBondContact OD2-CG 3.23Å; D571-G575 WeakPolarHBondContact O-CA 3.4Å; D571-G575 PolarHBondContact O-N 2.45Å; D571-K576 PolarHBondContact N-O 2.73Å; D571-K576 PolarHBondContact O-N 3.4Å; D571-K576 VanDerWaalsContact O-N 3.08Å; D571-L585 HydrophobicContact CB-CB 4.02Å; D571-L585 HydrophobicContact CB-CD1 3.47Å; D571-L585 VanDerWaalsContact CB-CD1 3.47Å; D571-L585 HydrophobicContact CB-CG 4.24Å; D571-L585 WeakPolarHBondContact OD2-CB 3.43Å
572A93.4Very high89.8Confident2 Ų243 Ų432%0.01723%0.229CC..THydrogen-bonded Turntrans-73.5-20.4179.500000113.2G481 I482 G485 P550G481-A572 CarbonylContact C-O 3.58Å; G481-A572 WeakPolarHBondContact CA-O 3.4Å; I482-A572 WeakPolarHBondContact O-CB 3.42Å; G485-A572 WeakPolarHBondContact O-CB 3.08Å; G485-A572 PolarHBondContact O-N 3.45Å; P550-A572 HydrophobicContact CB-CB 3.98Å
573A91.1Very high88.1Confident58 Ų5846.7 Ų46.748%0.47925%0.249SC..THydrogen-bonded Turntrans-75.7-41.3178.900000111.4D571D571-A573 VanDerWaalsContact C-N 3.3Å; D571-A573 PolarHBondContact O-N 3.45Å; D571-A573 WeakPolarHBondContact OD1-CA 3.4Å; D571-A573 WeakPolarHBondContact OD1-CB 3.46Å; D571-A573 PolarHBondContact OD1-N 2.51Å
574Q89.2Confident86.4Confident125 Ų12546.2 Ų46.258%0.58424%0.242SC*.THydrogen-bonded Turntrans-91.4-14.8176.7-58.4-65.1-3100113.3D571 K576D571-Q574 PolarHBondContact OD1-N 2.85Å; D571-Q574 VanDerWaalsContact OD2-CB 3.22Å; D571-Q574 WeakPolarHBondContact OD2-CB 3.44Å; D571-Q574 WeakPolarHBondContact OD2-CG 3.23Å; Q574-K576 HydrophobicContact CB-CB 4.38Å; Q574-K576 HydrophobicContact CB-CD 4Å; Q574-K576 HydrophobicContact CB-CG 3.93Å
575G93.9Very high84.5Confident1 Ų146.2 Ų46.21%0.0124%0.242CC..THydrogen-bonded Turntrans69.535.8-174.400000112.6N478 G479 D571N478-G575 CarbonylContact C-O 3.35Å; N478-G575 VanDerWaalsContact CA-O 3.25Å; N478-G575 WeakPolarHBondContact CA-O 3.38Å; N478-G575 WeakPolarHBondContact CB-O 3.43Å; G479-G575 PolarHBondContact N-O 3.49Å; G479-G575 WeakPolarHBondContact O-CA 3.18Å; D571-G575 WeakPolarHBondContact O-CA 3.4Å; D571-G575 PolarHBondContact O-N 2.45Å
576K93.2Very high84.1Confident70 Ų7042.9 Ų42.930%0.30422%0.224SC..EExtended strand (participates in β ladder)trans-118.9149-174.1-65.7-176.4178.6-134.90111.6E475 D571 Q574 F578E475-K576 HydrophobicContact CG-CG 4.5Å; E475-K576 WeakPolarHBondContact OE2-CD 3.12Å; E475-K576 VanDerWaalsContact OE2-CE 3.3Å; E475-K576 WeakPolarHBondContact OE2-CE 3.38Å; E475-K576 IonicContact OE2-NZ 2.71Å; E475-K576 PolarHBondContact OE2-NZ 3.46Å; D571-K576 PolarHBondContact N-O 2.73Å; D571-K576 PolarHBondContact O-N 3.4Å; D571-K576 VanDerWaalsContact O-N 3.08Å; Q574-K576 HydrophobicContact CB-CB 4.38Å; Q574-K576 HydrophobicContact CB-CD 4Å; Q574-K576 HydrophobicContact CB-CG 3.93Å; K576-F578 HydrophobicContact CB-CD2 4.4Å; K576-F578 HydrophobicContact CB-CE2 3.59Å; K576-F578 HydrophobicContact CB-CZ 3.78Å; K576-F578 HydrophobicContact CD-CE2 4.36Å; K576-F578 HydrophobicContact CD-CZ 3.77Å; K576-F578 HydrophobicContact CG-CZ 4.44Å
577I93.2Very high83.8Confident0 Ų043.2 Ų43.20%023%0.226CC..EExtended strand (participates in β ladder)trans-125.2126.8176.2-54.8158.8000107.4I476 A477 I530 V552 V555 I562 V568 T569I476-I577 HydrophobicContact CD1-CG2 3.87Å; I476-I577 HydrophobicContact CG1-CB 4.21Å; I476-I577 HydrophobicContact CG1-CG2 3.82Å; I476-I577 WeakPolarHBondContact CG1-O 3.48Å; I476-I577 PolarHBondContact N-O 3.35Å; A477-I577 HydrophobicContact CB-CB 4.25Å; A477-I577 HydrophobicContact CB-CD1 3.85Å; A477-I577 PolarHBondContact N-O 3.18Å; A477-I577 PolarHBondContact O-N 3.19Å; I530-I577 HydrophobicContact CB-CD1 4.49Å; I530-I577 HydrophobicContact CD1-CD1 3.67Å; I530-I577 HydrophobicContact CD1-CG1 4.15Å; I530-I577 HydrophobicContact CD1-CG2 4.16Å; I530-I577 HydrophobicContact CG1-CD1 3.85Å; I530-I577 HydrophobicContact CG1-CG1 4.46Å; I530-I577 HydrophobicContact CG2-CD1 3.79Å; V552-I577 HydrophobicContact CB-CD1 4.5Å; V552-I577 HydrophobicContact CG2-CG1 4.44Å; V555-I577 HydrophobicContact CG1-CD1 4.19Å; V555-I577 HydrophobicContact CG2-CD1 3.99Å; I562-I577 HydrophobicContact CD1-CD1 4.08Å; V568-I577 HydrophobicContact CB-CG2 4.22Å; T569-I577 WeakPolarHBondContact O-CA 3.47Å
578F89.8Confident83.4Confident19 Ų1941.2 Ų41.28%0.08322%0.215CC..EExtended strand (participates in β ladder)trans-115148.4-177.8-60.5-84.7000110.8L471 E475 V568 T569 K576 L585L471-F578 HydrophobicContact CD2-CD1 4.19Å; L471-F578 HydrophobicContact CD2-CD2 4.28Å; L471-F578 HydrophobicContact CD2-CE1 4.09Å; L471-F578 HydrophobicContact CD2-CE2 4.2Å; L471-F578 HydrophobicContact CD2-CG 4.27Å; L471-F578 HydrophobicContact CD2-CZ 4.09Å; E475-F578 HydrophobicContact CB-CE1 4.27Å; V568-F578 VanDerWaalsContact CA-O 3.3Å; V568-F578 WeakPolarHBondContact CA-O 3.35Å; T569-F578 PolarHBondContact N-O 3.28Å; T569-F578 PolarHBondContact O-N 3.17Å; K576-F578 HydrophobicContact CB-CD2 4.4Å; K576-F578 HydrophobicContact CB-CE2 3.59Å; K576-F578 HydrophobicContact CB-CZ 3.78Å; K576-F578 HydrophobicContact CD-CE2 4.36Å; K576-F578 HydrophobicContact CD-CZ 3.77Å; K576-F578 HydrophobicContact CG-CZ 4.44Å; F578-L585 HydrophobicContact CD2-CD1 3.76Å; F578-L585 HydrophobicContact CE2-CD1 3.61Å; F578-L585 HydrophobicContact CE2-CD2 4.01Å; F578-L585 HydrophobicContact CZ-CD2 4.38Å
579E86.1Confident82.8Confident87 Ų8743.6 Ų43.641%0.40723%0.228SC..EExtended strand (participates in β ladder)trans-70.2131.1167.7176166.9-149.900111I476 M566I476-E579 HydrophobicContact CG2-CB 3.78Å; M566-E579 HydrophobicContact CE-CB 3.64Å; M566-E579 VanDerWaalsContact CE-CD 3.46Å; M566-E579 HydrophobicContact CE-CG 3.37Å; M566-E579 WeakPolarHBondContact CE-OE1 3.31Å
580G81.7Confident82.3Confident16 Ų1646.3 Ų46.317%0.16524%0.242CC..SBendtrans81.5-151.5175.400000114.1L567 V568 T569L567-G580 WeakPolarHBondContact O-CA 3.28Å; L567-G580 PolarHBondContact O-N 3.28Å; V568-G580 CarbonylContact C-O 3.57Å; T569-G580 PolarHBondContact N-O 3.48Å; T569-G580 VanDerWaalsContact N-O 3.15Å; T569-G580 PolarHBondContact OG1-O 3.5Å
581Y75.7Confident81.6Confident119 Ų11949.4 Ų49.447%0.46726%0.258SS..  trans-102.7112.7-170.9-174.8-65.1000110.1G447 V488 T569 N583G447-Y581 CarbonylContact C-O 3.55Å; G447-Y581 VanDerWaalsContact C-O 3.3Å; G447-Y581 WeakPolarHBondContact CA-O 3.49Å; V488-Y581 HydrophobicContact CB-CD2 4.1Å; V488-Y581 HydrophobicContact CB-CE2 4.29Å; V488-Y581 HydrophobicContact CG1-CD2 3.71Å; V488-Y581 HydrophobicContact CG1-CE2 4.38Å; V488-Y581 HydrophobicContact CG1-CG 4.17Å; V488-Y581 HydrophobicContact CG2-CD1 4.43Å; V488-Y581 HydrophobicContact CG2-CD2 3.92Å; V488-Y581 HydrophobicContact CG2-CE1 4.36Å; V488-Y581 HydrophobicContact CG2-CE2 4Å; V488-Y581 HydrophobicContact CG2-CG 4.14Å; T569-Y581 WeakPolarHBondContact OG1-CA 3.46Å; Y581-N583 HydrophobicContact CD1-CB 4.5Å; Y581-N583 HydrophobicContact CE1-CB 3.95Å; Y581-N583 VanDerWaalsContact CE1-ND2 3.29Å; Y581-N583 WeakPolarHBondContact CE1-ND2 3.4Å; Y581-N583 WeakPolarHBondContact CE1-OD1 3.45Å; Y581-N583 PolarHBondContact OH-OD1 2.94Å; Y581-N583 VanDerWaalsContact OH-OD1 3.06Å
582A72.3Confident80.8Confident5 Ų552.8 Ų52.84%0.04128%0.276CS..  trans-107.8117.6172.400000111.2L471 T569 L585L471-A582 HydrophobicContact CD1-CB 3.74Å; L471-A582 HydrophobicContact CD2-CB 3.63Å; L471-A582 HydrophobicContact CG-CB 4.31Å; T569-A582 HydrophobicContact CG2-CB 3.87Å; T569-A582 PolarHBondContact OG1-N 3.13Å; A582-L585 HydrophobicContact CB-CD1 4.07Å
583N59Low79.8Confident84 Ų8456.7 Ų56.745%0.44930%0.296SS..SBendtrans-74.8-24.2-164.9-104.5-55.7000116.2Y581Y581-N583 HydrophobicContact CD1-CB 4.5Å; Y581-N583 HydrophobicContact CE1-CB 3.95Å; Y581-N583 VanDerWaalsContact CE1-ND2 3.29Å; Y581-N583 WeakPolarHBondContact CE1-ND2 3.4Å; Y581-N583 WeakPolarHBondContact CE1-OD1 3.45Å; Y581-N583 PolarHBondContact OH-OD1 2.94Å; Y581-N583 VanDerWaalsContact OH-OD1 3.06Å
584V57.3Low78.9Confident66 Ų6656.6 Ų56.640%0.428%0.281SS..  trans-157.4125.9178.6-167.90000108.1L370 L449L370-V584 HydrophobicContact CD2-CG1 4.28Å; L449-V584 HydrophobicContact CD1-CB 3.97Å; L449-V584 HydrophobicContact CD1-CG2 4.17Å
585L55.3Low77.9Confident87 Ų8750.4 Ų50.446%0.45525%0.253SS..  trans-127.90176.7-81167.8000110.7L471 T569 D571 F578 A582L471-L585 HydrophobicContact CD2-CD1 4.3Å; L471-L585 HydrophobicContact CD2-CD2 3.63Å; L471-L585 HydrophobicContact CD2-CG 4.21Å; T569-L585 HydrophobicContact CG2-CD1 4.04Å; D571-L585 HydrophobicContact CB-CB 4.02Å; D571-L585 HydrophobicContact CB-CD1 3.47Å; D571-L585 VanDerWaalsContact CB-CD1 3.47Å; D571-L585 HydrophobicContact CB-CG 4.24Å; D571-L585 WeakPolarHBondContact OD2-CB 3.43Å; F578-L585 HydrophobicContact CD2-CD1 3.76Å; F578-L585 HydrophobicContact CE2-CD1 3.61Å; F578-L585 HydrophobicContact CE2-CD2 4.01Å; F578-L585 HydrophobicContact CZ-CD2 4.38Å; A582-L585 HydrophobicContact CB-CD1 4.07Å

Retrieved 585 of 585 residues in 1349.6 ms (Link to these results)

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