A0A077ZG16_TRITR Loading...

DC STAMP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG16, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 589 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.8Very low74.2Confident217 Ų21779.3 Ų79.3100%1.06942%0.419SS*.  0-53.10-68.3-173.4-176.400113.8I3 Y4M1-I3 VanDerWaalsContact C-N 3.3Å; M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.11Å; M1-Y4 PolarHBondContact O-N 3.4Å
2A56.3Low75.3Confident54 Ų5475.6 Ų75.645%0.44640%0.403SS..THydrogen-bonded Turntrans-49.8-40.6-171.700000116Y4 R5A2-Y4 VanDerWaalsContact C-N 3.3Å; A2-Y4 PolarHBondContact O-N 3Å; A2-R5 WeakPolarHBondContact O-CB 3.46Å; A2-R5 PolarHBondContact O-N 2.75Å; A2-R5 VanDerWaalsContact O-N 3.1Å
3I56.3Low76.2Confident146 Ų14669.8 Ų69.875%0.74937%0.372SS*.THydrogen-bonded Turntrans-60-34.5-176.3-58.3171.2000113M1 R5 P6M1-I3 VanDerWaalsContact C-N 3.3Å; M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.11Å; I3-R5 VanDerWaalsContact C-N 3.3Å; I3-R5 PolarHBondContact O-N 3.31Å; I3-P6 WeakPolarHBondContact O-CD 3.44Å
4Y66.9Low76.9Confident185 Ų18567.6 Ų67.673%0.72536%0.36SS*.Hα-helixtrans-84.1-1.4-179.4-66.2-75000114M1 A2 S7 G8M1-Y4 PolarHBondContact O-N 3.4Å; A2-Y4 VanDerWaalsContact C-N 3.3Å; A2-Y4 PolarHBondContact O-N 3Å; Y4-S7 PolarHBondContact O-OG 2.88Å; Y4-G8 PolarHBondContact O-N 2.95Å
5R76.6Confident77.4Confident75 Ų7570.9 Ų70.928%0.28338%0.377SS..Hα-helixtrans-71.6-46.9-175.9-159.5173.2-169.2-178.41.7114.1A2 I3 C9 Y435 P437 E438A2-R5 WeakPolarHBondContact O-CB 3.46Å; A2-R5 PolarHBondContact O-N 2.75Å; A2-R5 VanDerWaalsContact O-N 3.1Å; I3-R5 VanDerWaalsContact C-N 3.3Å; I3-R5 PolarHBondContact O-N 3.31Å; R5-C9 WeakPolarHBondContact O-CB 3.16Å; R5-C9 PolarHBondContact O-N 3Å; R5-C9 VanDerWaalsContact O-N 3.12Å; R5-Y435 HydrophobicContact CG-CD1 4.42Å; R5-Y435 PolarHBondContact NE-O 2.72Å; R5-Y435 PolarHBondContact NH2-O 3.01Å; R5-P437 VanDerWaalsContact NH2-CD 3.31Å; R5-E438 IonicContact CZ-OE1 3.13Å; R5-E438 IonicContact NH1-OE1 2.79Å; R5-E438 PolarHBondContact NH1-OE1 3.44Å; R5-E438 IonicContact NH2-OE1 2.72Å; R5-E438 PolarHBondContact NH2-OE1 3.42Å
6P80.3Confident77.3Confident20 Ų2067.1 Ų67.113%0.1336%0.357CS..Hα-helixtrans-64.8-47.6175.223.1-33000112.2I3 G8 C9 V10 L282 Y436 L589I3-P6 WeakPolarHBondContact O-CD 3.44Å; P6-G8 PolarHBondContact O-N 2.94Å; P6-C9 WeakPolarHBondContact O-CB 3.04Å; P6-C9 PolarHBondContact O-N 3.26Å; P6-V10 WeakPolarHBondContact O-CB 3.04Å; P6-V10 WeakPolarHBondContact O-CG2 3.32Å; P6-V10 PolarHBondContact O-N 3.21Å; P6-L282 HydrophobicContact CB-CD2 4.29Å; P6-Y436 VanDerWaalsContact CA-OH 3.28Å; P6-Y436 WeakPolarHBondContact CA-OH 3.45Å; P6-L589 HydrophobicContact CB-CD2 3.85Å
7S83.4Confident77.4Confident59 Ų5964.3 Ų64.341%0.41334%0.343SS..Hα-helixtrans-62.4-43.9-179.250.80000112.5Y4 C9 V10 T11Y4-S7 PolarHBondContact O-OG 2.88Å; S7-C9 PolarHBondContact O-N 3.49Å; S7-V10 PolarHBondContact O-N 3.48Å; S7-T11 PolarHBondContact O-N 3.43Å; S7-T11 PolarHBondContact O-OG1 3.07Å
8G85.8Confident77.5Confident19 Ų1963.5 Ų63.520%0.19634%0.341CS..Hα-helixtrans-59.3-44.3172.900000113Y4 P6 V10 T11 C12 Y435Y4-G8 PolarHBondContact O-N 2.95Å; P6-G8 PolarHBondContact O-N 2.94Å; G8-V10 PolarHBondContact O-N 3.03Å; G8-T11 PolarHBondContact O-N 3.48Å; G8-C12 PolarHBondContact O-N 3.44Å; G8-Y435 VanDerWaalsContact C-CE1 3.45Å; G8-Y435 VanDerWaalsContact C-CZ 3.48Å; G8-Y435 PolarHBondContact O-OH 3.4Å
9C87Confident77.2Confident0 Ų064.1 Ų64.10%035%0.35CS..Hα-helixtrans-61.8-45.1176.9-172.70000111.5R5 P6 S7 C12 I13 L282 Y435 Y436R5-C9 WeakPolarHBondContact O-CB 3.16Å; R5-C9 PolarHBondContact O-N 3Å; R5-C9 VanDerWaalsContact O-N 3.12Å; P6-C9 WeakPolarHBondContact O-CB 3.04Å; P6-C9 PolarHBondContact O-N 3.26Å; S7-C9 PolarHBondContact O-N 3.49Å; C9-C12 PolarHBondContact O-N 2.04Å; C9-I13 VanDerWaalsContact O-CD1 3.32Å; C9-I13 WeakPolarHBondContact O-CD1 3.48Å; C9-I13 WeakPolarHBondContact O-CG1 3.35Å; C9-I13 PolarHBondContact O-N 3.08Å; C9-L282 HydrophobicContact CB-CD2 4.12Å; C9-Y435 HydrophobicContact CB-CD1 3.63Å; C9-Y435 HydrophobicContact CB-CD2 3.96Å; C9-Y435 HydrophobicContact CB-CE1 4.28Å; C9-Y435 HydrophobicContact CB-CG 3.46Å; C9-Y435 VanDerWaalsContact CB-CG 3.46Å; C9-Y435 VanDerWaalsContact N-CE1 3.31Å; C9-Y435 VanDerWaalsContact SG-CB 3.6Å; C9-Y436 HydrophobicContact CB-CE2 3.89Å
10V87.5Confident76.9Confident17 Ų1762.2 Ų62.210%0.10334%0.341CS..Hα-helixtrans-59.6-48.6177.7163.80000110.9P6 S7 G8 C12 I13 M14 A278 A279 L282P6-V10 WeakPolarHBondContact O-CB 3.04Å; P6-V10 WeakPolarHBondContact O-CG2 3.32Å; P6-V10 PolarHBondContact O-N 3.21Å; S7-V10 PolarHBondContact O-N 3.48Å; G8-V10 PolarHBondContact O-N 3.03Å; V10-C12 PolarHBondContact O-N 3.18Å; V10-I13 WeakPolarHBondContact O-CB 3.49Å; V10-I13 PolarHBondContact O-N 3.32Å; V10-I13 VanDerWaalsContact O-N 3.13Å; V10-M14 HydrophobicContact CG1-CE 3.64Å; V10-M14 WeakPolarHBondContact O-CG 3.47Å; V10-M14 PolarHBondContact O-N 2.85Å; V10-A278 HydrophobicContact CG1-CB 3.95Å; V10-A279 HydrophobicContact CG2-CB 4.23Å; V10-L282 HydrophobicContact CG2-CB 4.39Å; V10-L282 HydrophobicContact CG2-CD2 3.85Å
11T87Confident76.8Confident80 Ų8060.9 Ų60.949%0.49134%0.339SS..Hα-helixtrans-57.9-45175.6-61.80000112.6S7 G8 I13 M14 L15S7-T11 PolarHBondContact O-N 3.43Å; S7-T11 PolarHBondContact O-OG1 3.07Å; G8-T11 PolarHBondContact O-N 3.48Å; T11-I13 PolarHBondContact O-N 3.06Å; T11-M14 WeakPolarHBondContact O-CB 3.32Å; T11-M14 PolarHBondContact O-N 2.68Å; T11-L15 PolarHBondContact O-N 3.17Å
12C87.4Confident78.2Confident35 Ų3551.6 Ų51.624%0.23629%0.294CS..Hα-helixtrans-67.5-34.1176.4-70.20000112.7G8 C9 V10 M14 L15 P16 I431 Y435G8-C12 PolarHBondContact O-N 3.44Å; C9-C12 PolarHBondContact O-N 2.04Å; V10-C12 PolarHBondContact O-N 3.18Å; C12-M14 VanDerWaalsContact C-N 3.27Å; C12-M14 PolarHBondContact O-N 3.42Å; C12-L15 PolarHBondContact O-N 3.22Å; C12-P16 WeakPolarHBondContact O-CD 3.12Å; C12-I431 HydrophobicContact CB-CD1 4.43Å; C12-I431 HydrophobicContact CB-CG2 3.4Å; C12-I431 WeakPolarHBondContact O-CD1 3.43Å; C12-Y435 HydrophobicContact CB-CE2 3.94Å; C12-Y435 PolarHBondContact SG-OH 2.99Å; C12-Y435 VanDerWaalsContact SG-OH 3.36Å
13I86.4Confident79.4Confident0 Ų053 Ų530%029%0.293CS..Hα-helixtrans-63.5-33.1172.6-66.6155.9000111.2C9 V10 T11 P16 V17 A278 Y281 L282 I431 C432C9-I13 VanDerWaalsContact O-CD1 3.32Å; C9-I13 WeakPolarHBondContact O-CD1 3.48Å; C9-I13 WeakPolarHBondContact O-CG1 3.35Å; C9-I13 PolarHBondContact O-N 3.08Å; V10-I13 WeakPolarHBondContact O-CB 3.49Å; V10-I13 PolarHBondContact O-N 3.32Å; V10-I13 VanDerWaalsContact O-N 3.13Å; T11-I13 PolarHBondContact O-N 3.06Å; I13-P16 WeakPolarHBondContact O-CD 3.13Å; I13-P16 WeakPolarHBondContact O-CG 3.29Å; I13-V17 WeakPolarHBondContact O-CG2 3.44Å; I13-A278 HydrophobicContact CB-CB 4.12Å; I13-A278 HydrophobicContact CG2-CB 3.79Å; I13-Y281 HydrophobicContact CD1-CD1 4.22Å; I13-Y281 HydrophobicContact CG2-CD1 4.06Å; I13-L282 HydrophobicContact CD1-CB 4.18Å; I13-I431 HydrophobicContact CG1-CB 4.45Å; I13-I431 HydrophobicContact CG1-CG2 4.14Å; I13-C432 VanDerWaalsContact CD1-SG 3.51Å
14M86.4Confident80.7Confident39 Ų3948.7 Ų48.719%0.19227%0.268CS..Hα-helixtrans-63-43.9177.1-65.1-170.4-131.900112.2V10 T11 C12 V17 V18 L274 P275 A278V10-M14 HydrophobicContact CG1-CE 3.64Å; V10-M14 WeakPolarHBondContact O-CG 3.47Å; V10-M14 PolarHBondContact O-N 2.85Å; T11-M14 WeakPolarHBondContact O-CB 3.32Å; T11-M14 PolarHBondContact O-N 2.68Å; C12-M14 VanDerWaalsContact C-N 3.27Å; C12-M14 PolarHBondContact O-N 3.42Å; M14-V17 CarbonylContact O-C 3.5Å; M14-V17 WeakPolarHBondContact O-CA 3.34Å; M14-V17 WeakPolarHBondContact O-CB 3.39Å; M14-V17 PolarHBondContact O-N 3.05Å; M14-V18 WeakPolarHBondContact O-CG2 3.5Å; M14-V18 PolarHBondContact O-N 3.47Å; M14-L274 HydrophobicContact CB-CD1 3.98Å; M14-L274 HydrophobicContact CB-CD2 4.23Å; M14-L274 HydrophobicContact CB-CG 4.03Å; M14-L274 HydrophobicContact CG-CD1 4.11Å; M14-L274 HydrophobicContact CG-CD2 4.35Å; M14-L274 HydrophobicContact CG-CG 3.82Å; M14-L274 HydrophobicContact SD-CD2 3.99Å; M14-L274 HydrophobicContact SD-CG 3.8Å; M14-P275 HydrophobicContact CE-CB 3.65Å; M14-P275 HydrophobicContact SD-CB 4.13Å; M14-A278 HydrophobicContact CG-CB 3.89Å
15L83.5Confident81.5Confident118 Ų11841.2 Ų41.262%0.61825%0.245SC*.Hα-helixtrans-47.8-52.3-174.7-67172.8000114.9T11 C12 V18 S19T11-L15 PolarHBondContact O-N 3.17Å; C12-L15 PolarHBondContact O-N 3.22Å; L15-V18 PolarHBondContact O-N 3.12Å; L15-S19 PolarHBondContact O-N 3.48Å
16P76.9Confident82.1Confident10 Ų1038.8 Ų38.87%0.06524%0.238CC..Hα-helixtrans-74.6-22.8175.531.2-37.5000113.8C12 I13 S19 T20 T427 R428 I431C12-P16 WeakPolarHBondContact O-CD 3.12Å; I13-P16 WeakPolarHBondContact O-CD 3.13Å; I13-P16 WeakPolarHBondContact O-CG 3.29Å; P16-S19 PolarHBondContact O-OG 3.35Å; P16-T20 WeakPolarHBondContact O-CB 3.47Å; P16-T20 WeakPolarHBondContact O-CG2 3.18Å; P16-T20 PolarHBondContact O-N 3.12Å; P16-T20 VanDerWaalsContact O-N 3.11Å; P16-T20 PolarHBondContact O-OG1 2.97Å; P16-T427 WeakPolarHBondContact CB-OG1 3.41Å; P16-R428 HydrophobicContact CG-CG 4.35Å; P16-I431 HydrophobicContact CG-CD1 3.89Å
17V78Confident82.5Confident19 Ų1942.3 Ų42.312%0.11526%0.255CS..Hα-helixtrans-73.5-34.3174.5176.60000110.6I13 M14 A21 T22 L274 R428I13-V17 WeakPolarHBondContact O-CG2 3.44Å; M14-V17 CarbonylContact O-C 3.5Å; M14-V17 WeakPolarHBondContact O-CA 3.34Å; M14-V17 WeakPolarHBondContact O-CB 3.39Å; M14-V17 PolarHBondContact O-N 3.05Å; V17-A21 HydrophobicContact CG1-CB 4.46Å; V17-A21 WeakPolarHBondContact O-CA 3.4Å; V17-A21 WeakPolarHBondContact O-CB 3.45Å; V17-A21 PolarHBondContact O-N 3.15Å; V17-T22 HydrophobicContact CG1-CG2 4.35Å; V17-T22 PolarHBondContact O-N 3.21Å; V17-L274 HydrophobicContact CB-CD1 3.86Å; V17-L274 HydrophobicContact CG1-CD1 3.57Å; V17-R428 HydrophobicContact CG2-CG 3.98Å
18V80.6Confident82.7Confident50 Ų5040.5 Ų40.530%0.30324%0.24SC..Iπ-helixtrans-57.9-65.2169.4173.90000109.3M14 L15 T20 A21 T22 L23 L274M14-V18 WeakPolarHBondContact O-CG2 3.5Å; M14-V18 PolarHBondContact O-N 3.47Å; L15-V18 PolarHBondContact O-N 3.12Å; V18-T20 VanDerWaalsContact C-N 3.27Å; V18-T20 PolarHBondContact O-N 3.29Å; V18-A21 PolarHBondContact O-N 3.39Å; V18-T22 WeakPolarHBondContact CA-OG1 3.35Å; V18-T22 PolarHBondContact O-N 2.94Å; V18-L23 HydrophobicContact CG1-CB 4.03Å; V18-L23 WeakPolarHBondContact O-CB 3.49Å; V18-L23 PolarHBondContact O-N 3.24Å; V18-L274 HydrophobicContact CG2-CD1 4Å; V18-L274 HydrophobicContact CG2-CD2 3.48Å; V18-L274 VanDerWaalsContact CG2-CD2 3.48Å; V18-L274 HydrophobicContact CG2-CG 4.38Å
19S71.4Confident82.9Confident75 Ų7541 Ų4152%0.52424%0.238SC..Iπ-helixtrans-62.8-28.7-173.160.50000114.4L15 P16L15-S19 PolarHBondContact O-N 3.48Å; P16-S19 PolarHBondContact O-OG 3.35Å
20T70.4Confident83.1Confident25 Ų2544.3 Ų44.315%0.15326%0.255CS..Iπ-helixtrans-102.4-13.9-176.267.10000115.8P16 V18 R24 A425P16-T20 WeakPolarHBondContact O-CB 3.47Å; P16-T20 WeakPolarHBondContact O-CG2 3.18Å; P16-T20 PolarHBondContact O-N 3.12Å; P16-T20 VanDerWaalsContact O-N 3.11Å; P16-T20 PolarHBondContact O-OG1 2.97Å; V18-T20 VanDerWaalsContact C-N 3.27Å; V18-T20 PolarHBondContact O-N 3.29Å; T20-R24 PolarHBondContact O-NH1 3.1Å; T20-A425 HydrophobicContact CG2-CB 4.14Å
21A74.5Confident83.2Confident36 Ų3644.7 Ų44.730%0.29826%0.26SS..Iπ-helixtrans-139.3-65.3-17600000114V17 V18 R24 A25V17-A21 HydrophobicContact CG1-CB 4.46Å; V17-A21 WeakPolarHBondContact O-CA 3.4Å; V17-A21 WeakPolarHBondContact O-CB 3.45Å; V17-A21 PolarHBondContact O-N 3.15Å; V18-A21 PolarHBondContact O-N 3.39Å; A21-R24 PolarHBondContact O-N 3.02Å; A21-A25 PolarHBondContact O-N 3.47Å
22T80.5Confident83.4Confident22 Ų2242.3 Ų42.314%0.13524%0.244CC..Iπ-helixtrans-74.4-36-170.262.10000112.5V17 V18 R24 A25 V26 L274V17-T22 HydrophobicContact CG1-CG2 4.35Å; V17-T22 PolarHBondContact O-N 3.21Å; V18-T22 WeakPolarHBondContact CA-OG1 3.35Å; V18-T22 PolarHBondContact O-N 2.94Å; T22-R24 VanDerWaalsContact C-N 3.3Å; T22-R24 PolarHBondContact O-N 3.18Å; T22-A25 PolarHBondContact O-N 2.68Å; T22-A25 VanDerWaalsContact O-N 3.12Å; T22-V26 WeakPolarHBondContact O-CG2 3.43Å; T22-V26 PolarHBondContact O-N 3.1Å; T22-L274 HydrophobicContact CG2-CB 4.4Å; T22-L274 HydrophobicContact CG2-CD1 4.16Å
23L81.2Confident83.5Confident82 Ų8241.3 Ų41.343%0.42924%0.238SC..Hα-helixtrans-60.4-40.1173.3-177.560.2000111.3V18 V26 I27V18-L23 HydrophobicContact CG1-CB 4.03Å; V18-L23 WeakPolarHBondContact O-CB 3.49Å; V18-L23 PolarHBondContact O-N 3.24Å; L23-V26 PolarHBondContact O-N 3.28Å; L23-I27 HydrophobicContact CD1-CD1 4.02Å; L23-I27 HydrophobicContact CD1-CG1 4.25Å; L23-I27 HydrophobicContact CG-CD1 3.81Å; L23-I27 HydrophobicContact CG-CG1 4.44Å; L23-I27 WeakPolarHBondContact O-CB 3.27Å; L23-I27 WeakPolarHBondContact O-CG1 3.5Å; L23-I27 PolarHBondContact O-N 3.04Å
24R82.7Confident83.7Confident56 Ų5649.3 Ų49.321%0.21127%0.268CS..Hα-helixtrans-65.2-42.9174-173.1-170.962.6-99-13.1111.4T20 A21 T22 I27 L28 V350T20-R24 PolarHBondContact O-NH1 3.1Å; A21-R24 PolarHBondContact O-N 3.02Å; T22-R24 VanDerWaalsContact C-N 3.3Å; T22-R24 PolarHBondContact O-N 3.18Å; R24-I27 PolarHBondContact O-N 3.23Å; R24-L28 HydrophobicContact CG-CD1 4.05Å; R24-L28 HydrophobicContact CG-CG 4.36Å; R24-L28 WeakPolarHBondContact O-CB 3.43Å; R24-L28 VanDerWaalsContact O-CG 3.26Å; R24-L28 WeakPolarHBondContact O-CG 3.22Å; R24-L28 PolarHBondContact O-N 2.97Å; R24-V350 HydrophobicContact CG-CG2 4.46Å
25A85.2Confident83.9Confident29 Ų2947.9 Ų47.924%0.2426%0.262CS..Hα-helixtrans-61.1-45.3177.400000111.6A21 T22 L28 L29A21-A25 PolarHBondContact O-N 3.47Å; T22-A25 PolarHBondContact O-N 2.68Å; T22-A25 VanDerWaalsContact O-N 3.12Å; A25-L28 PolarHBondContact O-N 3.44Å; A25-L29 WeakPolarHBondContact O-CG 3.3Å; A25-L29 PolarHBondContact O-N 3.42Å
26V87.3Confident84Confident24 Ų2442.8 Ų42.815%0.14524%0.235CC..Hα-helixtrans-64-44.6175.8173.70000111.3T22 L23 L28 L29 L30 V267T22-V26 WeakPolarHBondContact O-CG2 3.43Å; T22-V26 PolarHBondContact O-N 3.1Å; L23-V26 PolarHBondContact O-N 3.28Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.07Å; V26-L29 PolarHBondContact O-N 3.33Å; V26-L30 HydrophobicContact CG1-CD1 3.77Å; V26-L30 HydrophobicContact CG1-CG 4.19Å; V26-L30 WeakPolarHBondContact O-CB 3.05Å; V26-L30 VanDerWaalsContact O-CG 3.27Å; V26-L30 WeakPolarHBondContact O-CG 3.06Å; V26-L30 PolarHBondContact O-N 3.33Å; V26-V267 HydrophobicContact CG1-CG1 4.27Å; V26-V267 HydrophobicContact CG1-CG2 4.38Å; V26-V267 HydrophobicContact CG2-CG1 4.19Å; V26-V267 HydrophobicContact CG2-CG2 4.48Å
27I89.1Confident84.5Confident94 Ų9447.3 Ų47.348%0.48226%0.256SS..Hα-helixtrans-59.6-41.6175.4-73.8168.4000111.6L23 R24 L30 A31L23-I27 HydrophobicContact CD1-CD1 4.02Å; L23-I27 HydrophobicContact CD1-CG1 4.25Å; L23-I27 HydrophobicContact CG-CD1 3.81Å; L23-I27 HydrophobicContact CG-CG1 4.44Å; L23-I27 WeakPolarHBondContact O-CB 3.27Å; L23-I27 WeakPolarHBondContact O-CG1 3.5Å; L23-I27 PolarHBondContact O-N 3.04Å; R24-I27 PolarHBondContact O-N 3.23Å; I27-L30 PolarHBondContact O-N 3.19Å; I27-A31 VanDerWaalsContact O-CB 3.27Å; I27-A31 WeakPolarHBondContact O-CB 3.49Å; I27-A31 PolarHBondContact O-N 3.11Å
28L88.9Confident84.9Confident21 Ų2147.9 Ų47.911%0.1127%0.265CS..Hα-helixtrans-69-38.7178.3-67.3172.6000112.1R24 A25 V26 L32 N349 V350 T353R24-L28 HydrophobicContact CG-CD1 4.05Å; R24-L28 HydrophobicContact CG-CG 4.36Å; R24-L28 WeakPolarHBondContact O-CB 3.43Å; R24-L28 VanDerWaalsContact O-CG 3.26Å; R24-L28 WeakPolarHBondContact O-CG 3.22Å; R24-L28 PolarHBondContact O-N 2.97Å; A25-L28 PolarHBondContact O-N 3.44Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.07Å; L28-L32 WeakPolarHBondContact O-CG 3.5Å; L28-L32 PolarHBondContact O-N 3.38Å; L28-N349 WeakPolarHBondContact CD1-ND2 3.24Å; L28-V350 HydrophobicContact CD1-CG2 3.95Å; L28-V350 HydrophobicContact CD2-CG2 4.36Å; L28-T353 HydrophobicContact CB-CG2 4.26Å; L28-T353 HydrophobicContact CD2-CG2 3.76Å
29L89.6Confident85.1Confident28 Ų2846.8 Ų46.815%0.14726%0.259CS..Hα-helixtrans-66.3-40.7173.6-72.1168.9000112.1A25 V26 L32 S33 F263 L266 V267A25-L29 WeakPolarHBondContact O-CG 3.3Å; A25-L29 PolarHBondContact O-N 3.42Å; V26-L29 PolarHBondContact O-N 3.33Å; L29-L32 PolarHBondContact O-N 3.08Å; L29-S33 WeakPolarHBondContact O-CB 3.4Å; L29-S33 PolarHBondContact O-N 2.97Å; L29-F263 HydrophobicContact CD2-CD1 4.07Å; L29-L266 HydrophobicContact CD1-CB 3.96Å; L29-L266 HydrophobicContact CD2-CB 4.38Å; L29-L266 HydrophobicContact CD2-CD1 4.22Å; L29-V267 HydrophobicContact CB-CG2 3.93Å; L29-V267 HydrophobicContact CD1-CG2 3.8Å
30L90.2Very high85.8Confident70 Ų7044 Ų4437%0.36624%0.238SC..Hα-helixtrans-67.4-40.4175.3-70.9174.2000111.9V26 I27 L32 S33 W34V26-L30 HydrophobicContact CG1-CD1 3.77Å; V26-L30 HydrophobicContact CG1-CG 4.19Å; V26-L30 WeakPolarHBondContact O-CB 3.05Å; V26-L30 VanDerWaalsContact O-CG 3.27Å; V26-L30 WeakPolarHBondContact O-CG 3.06Å; V26-L30 PolarHBondContact O-N 3.33Å; I27-L30 PolarHBondContact O-N 3.19Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.22Å; L30-S33 WeakPolarHBondContact O-CB 3.35Å; L30-S33 PolarHBondContact O-N 3.38Å; L30-W34 WeakPolarHBondContact O-CB 3.09Å; L30-W34 VanDerWaalsContact O-CG 3.3Å; L30-W34 PolarHBondContact O-N 3.4Å
31A90.9Very high86.4Confident25 Ų2544.3 Ų44.321%0.20724%0.238CC..Hα-helixtrans-62.9-39.8175.200000112.1I27 W34 T35 I357I27-A31 VanDerWaalsContact O-CB 3.27Å; I27-A31 WeakPolarHBondContact O-CB 3.49Å; I27-A31 PolarHBondContact O-N 3.11Å; A31-W34 PolarHBondContact O-N 3.28Å; A31-T35 PolarHBondContact O-N 3.47Å; A31-I357 HydrophobicContact CB-CD1 3.95Å
32L90.6Very high87Confident30 Ų3045.9 Ų45.916%0.15724%0.242CC..Hα-helixtrans-65.2-45.2173-73.3168.3000111.9L28 L29 L30 W34 T35 I36 F263 T353 V356 I357L28-L32 WeakPolarHBondContact O-CG 3.5Å; L28-L32 PolarHBondContact O-N 3.38Å; L29-L32 PolarHBondContact O-N 3.08Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.22Å; L32-W34 VanDerWaalsContact C-N 3.29Å; L32-W34 PolarHBondContact O-N 3.06Å; L32-T35 WeakPolarHBondContact CA-OG1 3.45Å; L32-T35 PolarHBondContact O-N 3.26Å; L32-T35 VanDerWaalsContact O-N 3.11Å; L32-T35 PolarHBondContact O-OG1 3.23Å; L32-I36 PolarHBondContact O-N 2.99Å; L32-I36 VanDerWaalsContact O-N 3.14Å; L32-F263 HydrophobicContact CB-CE2 3.78Å; L32-F263 HydrophobicContact CB-CZ 4.02Å; L32-T353 HydrophobicContact CD1-CG2 4.09Å; L32-T353 HydrophobicContact CD2-CG2 4.06Å; L32-T353 HydrophobicContact CG-CG2 3.87Å; L32-V356 HydrophobicContact CD2-CB 4.17Å; L32-V356 HydrophobicContact CD2-CG1 3.67Å; L32-I357 HydrophobicContact CD2-CG1 4.35Å
33S90.1Very high87.2Confident15 Ų1545.9 Ų45.911%0.10524%0.24CC..Hα-helixtrans-55.3-43.5172.7-171.90000111.7L29 L30 I36 Q37 N260L29-S33 WeakPolarHBondContact O-CB 3.4Å; L29-S33 PolarHBondContact O-N 2.97Å; L30-S33 WeakPolarHBondContact O-CB 3.35Å; L30-S33 PolarHBondContact O-N 3.38Å; S33-I36 WeakPolarHBondContact O-CB 3.4Å; S33-I36 PolarHBondContact O-N 3.12Å; S33-Q37 WeakPolarHBondContact O-CG 3.44Å; S33-Q37 PolarHBondContact O-N 3.13Å; S33-Q37 PolarHBondContact OG-NE2 3.38Å; S33-N260 PolarHBondContact OG-OD1 3.37Å
34W90.2Very high87.3Confident167 Ų16743.4 Ų43.463%0.63323%0.226SC*.Hα-helixtrans-68.9-31.3175.5-67.9-23.4000113.8L30 A31 L32 I36 G38L30-W34 WeakPolarHBondContact O-CB 3.09Å; L30-W34 VanDerWaalsContact O-CG 3.3Å; L30-W34 PolarHBondContact O-N 3.4Å; A31-W34 PolarHBondContact O-N 3.28Å; L32-W34 VanDerWaalsContact C-N 3.29Å; L32-W34 PolarHBondContact O-N 3.06Å; W34-I36 VanDerWaalsContact C-N 3.29Å; W34-I36 PolarHBondContact O-N 3.17Å; W34-G38 WeakPolarHBondContact O-CA 3.08Å; W34-G38 PolarHBondContact O-N 3.12Å
35T89.3Confident87.4Confident10 Ų1046.4 Ų46.46%0.06124%0.239CC..Hα-helixtrans-66.5-32.317148.60000113.1A31 L32 M40 I357A31-T35 PolarHBondContact O-N 3.47Å; L32-T35 WeakPolarHBondContact CA-OG1 3.45Å; L32-T35 PolarHBondContact O-N 3.26Å; L32-T35 VanDerWaalsContact O-N 3.11Å; L32-T35 PolarHBondContact O-OG1 3.23Å; T35-M40 PolarHBondContact O-N 3.39Å; T35-M40 VanDerWaalsContact O-N 3.09Å; T35-I357 HydrophobicContact CG2-CB 4.15Å; T35-I357 HydrophobicContact CG2-CG1 3.84Å; T35-I357 HydrophobicContact CG2-CG2 3.89Å
36I87Confident87.4Confident11 Ų1147 Ų476%0.05624%0.238CC..Iπ-helixtrans-70-54.6172.9-65.7175.4000109.8L32 S33 W34 G38 M40 M41 M256 V259 F263L32-I36 PolarHBondContact O-N 2.99Å; L32-I36 VanDerWaalsContact O-N 3.14Å; S33-I36 WeakPolarHBondContact O-CB 3.4Å; S33-I36 PolarHBondContact O-N 3.12Å; W34-I36 VanDerWaalsContact C-N 3.29Å; W34-I36 PolarHBondContact O-N 3.17Å; I36-G38 VanDerWaalsContact C-N 3.34Å; I36-G38 PolarHBondContact O-N 3.11Å; I36-M40 WeakPolarHBondContact O-CB 3.48Å; I36-M41 WeakPolarHBondContact O-CG 3.27Å; I36-M41 PolarHBondContact O-N 3.49Å; I36-M41 VanDerWaalsContact O-N 3.17Å; I36-M256 HydrophobicContact CD1-SD 4.21Å; I36-M256 HydrophobicContact CG1-SD 4.32Å; I36-M256 HydrophobicContact CG2-CB 3.57Å; I36-M256 HydrophobicContact CG2-CG 3.68Å; I36-M256 HydrophobicContact CG2-SD 3.72Å; I36-V259 HydrophobicContact CD1-CB 4.35Å; I36-V259 HydrophobicContact CD1-CG1 3.57Å; I36-F263 HydrophobicContact CD1-CE2 3.69Å; I36-F263 HydrophobicContact CD1-CZ 4.34Å
37Q85.8Confident87.2Confident105 Ų10548.4 Ų48.449%0.49124%0.244SC..Iπ-helixtrans-70.2-26.3-174.3-66.9176.14.900114.1S33 N260S33-Q37 WeakPolarHBondContact O-CG 3.44Å; S33-Q37 PolarHBondContact O-N 3.13Å; S33-Q37 PolarHBondContact OG-NE2 3.38Å; Q37-N260 PolarHBondContact NE2-ND2 3.41Å
38G86.6Confident86.9Confident31 Ų3144.6 Ų44.632%0.3223%0.225SC..Iπ-helixtrans-95.7-103.117600000112W34 I36 M40 M41 N42W34-G38 WeakPolarHBondContact O-CA 3.08Å; W34-G38 PolarHBondContact O-N 3.12Å; I36-G38 VanDerWaalsContact C-N 3.34Å; I36-G38 PolarHBondContact O-N 3.11Å; G38-M40 VanDerWaalsContact C-N 3.32Å; G38-M40 PolarHBondContact O-N 2.04Å; G38-M40 VanDerWaalsContact O-N 3.14Å; G38-M41 PolarHBondContact O-N 3.31Å; G38-M41 VanDerWaalsContact O-N 3.16Å; G38-N42 WeakPolarHBondContact O-CB 3.12Å; G38-N42 PolarHBondContact O-N 3.08Å
39P86.6Confident86.6Confident27 Ų2746.6 Ų46.618%0.17523%0.233CC..Iπ-helixtrans-45.4-45-174.3-31.434000115.8N42 M43 L361 D364P39-N42 PolarHBondContact O-N 3.03Å; P39-M43 VanDerWaalsContact O-CB 3.25Å; P39-M43 WeakPolarHBondContact O-CB 3.24Å; P39-M43 PolarHBondContact O-N 3.28Å; P39-L361 HydrophobicContact CB-CD2 4.39Å; P39-L361 HydrophobicContact CG-CD2 3.71Å; P39-D364 WeakPolarHBondContact CA-OD2 3.46Å; P39-D364 HydrophobicContact CB-CB 4.02Å
40M84.3Confident86.2Confident15 Ų1546.1 Ų46.17%0.07423%0.231CC..Iπ-helixtrans-69.9-42.9-177.7-173.3179.6175.700112.8T35 I36 G38 M43 Q44 I252 M256 W360T35-M40 PolarHBondContact O-N 3.39Å; T35-M40 VanDerWaalsContact O-N 3.09Å; I36-M40 WeakPolarHBondContact O-CB 3.48Å; G38-M40 VanDerWaalsContact C-N 3.32Å; G38-M40 PolarHBondContact O-N 2.04Å; G38-M40 VanDerWaalsContact O-N 3.14Å; M40-M43 HydrophobicContact CG-CE 4.41Å; M40-Q44 VanDerWaalsContact O-CG 3.27Å; M40-Q44 WeakPolarHBondContact O-CG 3.29Å; M40-Q44 PolarHBondContact O-N 2.72Å; M40-I252 HydrophobicContact CE-CG2 4.07Å; M40-M256 HydrophobicContact CE-CE 3.86Å; M40-M256 HydrophobicContact CE-CG 3.96Å; M40-M256 HydrophobicContact CE-SD 3.57Å; M40-M256 VanDerWaalsContact CE-SD 3.57Å; M40-M256 HydrophobicContact SD-CG 4.1Å; M40-M256 HydrophobicContact SD-SD 3.57Å; M40-W360 HydrophobicContact CB-CE3 4.3Å; M40-W360 HydrophobicContact CE-CH2 3.86Å; M40-W360 HydrophobicContact CE-CZ3 4.18Å; M40-W360 HydrophobicContact CG-CE3 4.21Å; M40-W360 HydrophobicContact CG-CH2 4.41Å; M40-W360 HydrophobicContact CG-CZ3 3.96Å; M40-W360 HydrophobicContact SD-CE3 4.28Å; M40-W360 HydrophobicContact SD-CH2 3.62Å; M40-W360 HydrophobicContact SD-CZ2 3.98Å; M40-W360 HydrophobicContact SD-CZ3 3.78Å
41M84.8Confident85.8Confident33 Ų3343 Ų4316%0.16322%0.215CC..Hα-helixtrans-70.2-33.9173.7-71.2-55.6-58.500112.4I36 G38 Q44 Y45 Y249 R253I36-M41 WeakPolarHBondContact O-CG 3.27Å; I36-M41 PolarHBondContact O-N 3.49Å; I36-M41 VanDerWaalsContact O-N 3.17Å; G38-M41 PolarHBondContact O-N 3.31Å; G38-M41 VanDerWaalsContact O-N 3.16Å; M41-Q44 PolarHBondContact O-N 3.39Å; M41-Y45 WeakPolarHBondContact O-CB 3.13Å; M41-Y45 PolarHBondContact O-N 2.77Å; M41-Y249 HydrophobicContact CE-CE1 4.42Å; M41-Y249 HydrophobicContact CE-CE2 3.79Å; M41-Y249 VanDerWaalsContact CE-OH 3.31Å; M41-Y249 WeakPolarHBondContact CE-OH 3.11Å; M41-R253 HydrophobicContact CE-CB 4.19Å; M41-R253 HydrophobicContact CE-CG 3.99Å
42N85.2Confident85.3Confident69 Ų6945.6 Ų45.637%0.36922%0.222SC..Hα-helixtrans-59.9-52.1172.7177.956.2000111G38 P39 Q44 Y45 N46 D364G38-N42 WeakPolarHBondContact O-CB 3.12Å; G38-N42 PolarHBondContact O-N 3.08Å; P39-N42 PolarHBondContact O-N 3.03Å; N42-Q44 VanDerWaalsContact C-N 3.3Å; N42-Q44 PolarHBondContact O-N 3.32Å; N42-Y45 PolarHBondContact O-N 3.3Å; N42-N46 VanDerWaalsContact CG-ND2 3.25Å; N42-N46 PolarHBondContact ND2-ND2 3.3Å; N42-N46 WeakPolarHBondContact O-CB 3.47Å; N42-N46 PolarHBondContact O-N 2.76Å; N42-N46 PolarHBondContact O-ND2 3.34Å; N42-N46 PolarHBondContact OD1-ND2 3.29Å; N42-D364 PolarHBondContact ND2-OD1 3.17Å; N42-D364 VanDerWaalsContact ND2-OD1 3.15Å; N42-D364 PolarHBondContact ND2-OD2 3.21Å
43M85.1Confident84.7Confident22 Ų2246.9 Ų46.911%0.10823%0.231CC..Hα-helixtrans-52.5-46.5175.2-177-174.968.600112P39 M40 N46 L47 L363 D364 V367P39-M43 VanDerWaalsContact O-CB 3.25Å; P39-M43 WeakPolarHBondContact O-CB 3.24Å; P39-M43 PolarHBondContact O-N 3.28Å; M40-M43 HydrophobicContact CG-CE 4.41Å; M43-N46 PolarHBondContact O-N 3.12Å; M43-L47 WeakPolarHBondContact O-CB 3.44Å; M43-L47 PolarHBondContact O-N 3.38Å; M43-L363 HydrophobicContact SD-CB 4.09Å; M43-D364 WeakPolarHBondContact CA-OD1 3.45Å; M43-D364 HydrophobicContact CB-CB 4.37Å; M43-D364 WeakPolarHBondContact CB-OD1 3.32Å; M43-D364 PolarHBondContact N-OD1 2.72Å; M43-V367 HydrophobicContact CG-CB 3.84Å; M43-V367 HydrophobicContact CG-CG1 3.76Å; M43-V367 HydrophobicContact CG-CG2 3.94Å; M43-V367 HydrophobicContact SD-CB 4.29Å; M43-V367 HydrophobicContact SD-CG2 3.81Å
44Q84.6Confident84.1Confident29 Ų2948 Ų4814%0.13624%0.236CC..Hα-helixtrans-67-43.3179.5-69.7-66.6-1400112.7M40 M41 N42 L47 Q48 Y249 I252M40-Q44 VanDerWaalsContact O-CG 3.27Å; M40-Q44 WeakPolarHBondContact O-CG 3.29Å; M40-Q44 PolarHBondContact O-N 2.72Å; M41-Q44 PolarHBondContact O-N 3.39Å; N42-Q44 VanDerWaalsContact C-N 3.3Å; N42-Q44 PolarHBondContact O-N 3.32Å; Q44-L47 PolarHBondContact O-N 3.05Å; Q44-Q48 PolarHBondContact O-N 3.13Å; Q44-Y249 HydrophobicContact CB-CD2 3.84Å; Q44-Y249 HydrophobicContact CB-CE2 3.98Å; Q44-I252 HydrophobicContact CG-CG2 4.42Å
45Y84.1Confident83.5Confident119 Ų11941.5 Ų41.547%0.46722%0.217SC..Hα-helixtrans-62.7-45174.3178.4-96.5000111.8M41 N42 L47 Q48 Q49M41-Y45 WeakPolarHBondContact O-CB 3.13Å; M41-Y45 PolarHBondContact O-N 2.77Å; N42-Y45 PolarHBondContact O-N 3.3Å; Y45-L47 VanDerWaalsContact C-N 3.31Å; Y45-L47 PolarHBondContact O-N 3.26Å; Y45-Q48 WeakPolarHBondContact O-CB 3.28Å; Y45-Q48 PolarHBondContact O-N 3.27Å; Y45-Q48 VanDerWaalsContact O-N 3.15Å; Y45-Q49 HydrophobicContact CD1-CG 4Å; Y45-Q49 HydrophobicContact CD2-CG 4.48Å; Y45-Q49 HydrophobicContact CE1-CG 3.61Å; Y45-Q49 HydrophobicContact CE2-CG 4.15Å; Y45-Q49 VanDerWaalsContact CE2-NE2 3.27Å; Y45-Q49 HydrophobicContact CG-CG 4.43Å; Y45-Q49 VanDerWaalsContact CZ-NE2 3.33Å; Y45-Q49 WeakPolarHBondContact O-CG 3.31Å; Y45-Q49 PolarHBondContact O-N 3.46Å; Y45-Q49 PolarHBondContact OH-NE2 3.45Å
46N84.2Confident82.9Confident42 Ų4244.8 Ų44.823%0.22524%0.24CC..Hα-helixtrans-63.7-36178.7-69.8-33.1000112.2N42 M43 T50 L371N42-N46 VanDerWaalsContact CG-ND2 3.25Å; N42-N46 PolarHBondContact ND2-ND2 3.3Å; N42-N46 WeakPolarHBondContact O-CB 3.47Å; N42-N46 PolarHBondContact O-N 2.76Å; N42-N46 PolarHBondContact O-ND2 3.34Å; N42-N46 PolarHBondContact OD1-ND2 3.29Å; M43-N46 PolarHBondContact O-N 3.12Å; N46-T50 WeakPolarHBondContact O-CB 3.2Å; N46-T50 PolarHBondContact O-N 3.47Å; N46-T50 PolarHBondContact O-OG1 3.39Å; N46-L371 HydrophobicContact CB-CD1 4Å
47L83.5Confident82.3Confident53 Ų5345.2 Ų45.228%0.27724%0.243SC..Hα-helixtrans-63.7-46.3171.6-175.663.6000111.3M43 Q44 Y45 T50 T51 L245 L371M43-L47 WeakPolarHBondContact O-CB 3.44Å; M43-L47 PolarHBondContact O-N 3.38Å; Q44-L47 PolarHBondContact O-N 3.05Å; Y45-L47 VanDerWaalsContact C-N 3.31Å; Y45-L47 PolarHBondContact O-N 3.26Å; L47-T50 PolarHBondContact O-N 3.14Å; L47-T51 PolarHBondContact O-N 3.47Å; L47-T51 PolarHBondContact O-OG1 2.82Å; L47-T51 VanDerWaalsContact O-OG1 3.09Å; L47-L245 HydrophobicContact CD2-CD2 4.1Å; L47-L371 HydrophobicContact CD1-CD2 4.12Å
48Q82.7Confident81.7Confident15 Ų1542.2 Ų42.27%0.0723%0.229CC..Hα-helixtrans-61-47.6176.8-167.3-167.120.800111.9Q44 Y45 T50 T51 K52 Y242 E246Q44-Q48 PolarHBondContact O-N 3.13Å; Y45-Q48 WeakPolarHBondContact O-CB 3.28Å; Y45-Q48 PolarHBondContact O-N 3.27Å; Y45-Q48 VanDerWaalsContact O-N 3.15Å; Q48-T50 VanDerWaalsContact C-N 3.33Å; Q48-T50 PolarHBondContact O-N 3.23Å; Q48-T51 PolarHBondContact O-N 2.87Å; Q48-K52 PolarHBondContact O-N 3.17Å; Q48-Y242 HydrophobicContact CG-CE2 3.82Å; Q48-Y242 PolarHBondContact NE2-OH 2.92Å; Q48-Y242 VanDerWaalsContact NE2-OH 3.13Å; Q48-E246 PolarHBondContact NE2-OE1 3.12Å
49Q82.7Confident81.1Confident62 Ų6245.1 Ų45.129%0.2924%0.237SC..Hα-helixtrans-66-33.9178.1-63.1-56.5-2300112.5Y45 K52 T53Y45-Q49 HydrophobicContact CD1-CG 4Å; Y45-Q49 HydrophobicContact CD2-CG 4.48Å; Y45-Q49 HydrophobicContact CE1-CG 3.61Å; Y45-Q49 HydrophobicContact CE2-CG 4.15Å; Y45-Q49 VanDerWaalsContact CE2-NE2 3.27Å; Y45-Q49 HydrophobicContact CG-CG 4.43Å; Y45-Q49 VanDerWaalsContact CZ-NE2 3.33Å; Y45-Q49 WeakPolarHBondContact O-CG 3.31Å; Y45-Q49 PolarHBondContact O-N 3.46Å; Y45-Q49 PolarHBondContact OH-NE2 3.45Å; Q49-K52 PolarHBondContact O-N 3.15Å; Q49-T53 WeakPolarHBondContact O-CB 3.45Å; Q49-T53 PolarHBondContact O-N 3.47Å; Q49-T53 PolarHBondContact O-OG1 3.3Å
50T82.2Confident80.3Confident18 Ų1846.5 Ų46.511%0.1125%0.245CC..Hα-helixtrans-69.7-37.7174.9-55.30000111N46 L47 Q48 T53 I54 L371N46-T50 WeakPolarHBondContact O-CB 3.2Å; N46-T50 PolarHBondContact O-N 3.47Å; N46-T50 PolarHBondContact O-OG1 3.39Å; L47-T50 PolarHBondContact O-N 3.14Å; Q48-T50 VanDerWaalsContact C-N 3.33Å; Q48-T50 PolarHBondContact O-N 3.23Å; T50-T53 CarbonylContact O-C 3.46Å; T50-T53 WeakPolarHBondContact O-CA 3.47Å; T50-T53 WeakPolarHBondContact O-CB 3.47Å; T50-T53 PolarHBondContact O-N 2.04Å; T50-T53 VanDerWaalsContact O-N 3.11Å; T50-I54 HydrophobicContact CG2-CD1 4.13Å; T50-I54 HydrophobicContact CG2-CG1 4.44Å; T50-I54 VanDerWaalsContact O-CG1 3.29Å; T50-I54 WeakPolarHBondContact O-CG1 3.3Å; T50-I54 PolarHBondContact O-N 3.19Å; T50-L371 HydrophobicContact CG2-CB 4.41Å; T50-L371 HydrophobicContact CG2-CD2 3.73Å
51T80.9Confident79.5Confident5 Ų546.6 Ų46.63%0.03125%0.247CC..Hα-helixtrans-63.6-41.1172.2-56.10000112.2L47 Q48 T53 I54 A55 V238 L241 Y242 L245L47-T51 PolarHBondContact O-N 3.47Å; L47-T51 PolarHBondContact O-OG1 2.82Å; L47-T51 VanDerWaalsContact O-OG1 3.09Å; Q48-T51 PolarHBondContact O-N 2.87Å; T51-T53 VanDerWaalsContact C-N 3.27Å; T51-T53 PolarHBondContact O-N 3.48Å; T51-I54 PolarHBondContact O-N 3.16Å; T51-A55 PolarHBondContact O-N 3.4Å; T51-V238 HydrophobicContact CG2-CG1 3.88Å; T51-L241 HydrophobicContact CG2-CG 4.36Å; T51-Y242 HydrophobicContact CG2-CD2 4.31Å; T51-L245 HydrophobicContact CG2-CD1 4.09Å; T51-L245 VanDerWaalsContact OG1-CD1 3.26Å; T51-L245 WeakPolarHBondContact OG1-CD1 2.93Å
52K80.5Confident78.7Confident79 Ų7946.8 Ų46.834%0.34326%0.257SS..Hα-helixtrans-57.8-41.1169.9-69-177.9-175.6-174.20111.6Q48 Q49 A55 C56 Y242Q48-K52 PolarHBondContact O-N 3.17Å; Q49-K52 PolarHBondContact O-N 3.15Å; K52-A55 PolarHBondContact O-N 3.41Å; K52-C56 WeakPolarHBondContact O-CB 3.4Å; K52-C56 PolarHBondContact O-N 2.76Å; K52-Y242 HydrophobicContact CD-CE2 4.02Å; K52-Y242 WeakPolarHBondContact CE-OH 3.14Å; K52-Y242 HydrophobicContact CG-CD2 3.88Å; K52-Y242 HydrophobicContact CG-CE2 3.56Å; K52-Y242 PolarHBondContact NZ-OH 3.17Å
53T78.4Confident77.8Confident57 Ų5750 Ų5035%0.3527%0.268SS..Hα-helixtrans-65-43.6176.3-57.10000111.6Q49 T50 T51 C56 V57Q49-T53 WeakPolarHBondContact O-CB 3.45Å; Q49-T53 PolarHBondContact O-N 3.47Å; Q49-T53 PolarHBondContact O-OG1 3.3Å; T50-T53 CarbonylContact O-C 3.46Å; T50-T53 WeakPolarHBondContact O-CA 3.47Å; T50-T53 WeakPolarHBondContact O-CB 3.47Å; T50-T53 PolarHBondContact O-N 2.04Å; T50-T53 VanDerWaalsContact O-N 3.11Å; T51-T53 VanDerWaalsContact C-N 3.27Å; T51-T53 PolarHBondContact O-N 3.48Å; T53-C56 PolarHBondContact O-N 3.09Å; T53-V57 HydrophobicContact CG2-CG2 4.47Å; T53-V57 WeakPolarHBondContact O-CB 3.45Å; T53-V57 VanDerWaalsContact O-CG2 3.26Å; T53-V57 WeakPolarHBondContact O-CG2 3.39Å; T53-V57 PolarHBondContact O-N 3.48Å
54I77.2Confident76.8Confident39 Ų3952.1 Ų52.120%0.228%0.277CS..Hα-helixtrans-62.4-42.6175.6-64.8161.3000110.9T50 T51 V57 Q58 V238 V374 L378T50-I54 HydrophobicContact CG2-CD1 4.13Å; T50-I54 HydrophobicContact CG2-CG1 4.44Å; T50-I54 VanDerWaalsContact O-CG1 3.29Å; T50-I54 WeakPolarHBondContact O-CG1 3.3Å; T50-I54 PolarHBondContact O-N 3.19Å; T51-I54 PolarHBondContact O-N 3.16Å; I54-V57 PolarHBondContact O-N 2.75Å; I54-Q58 HydrophobicContact CG2-CG 4.44Å; I54-Q58 WeakPolarHBondContact O-CG 3.49Å; I54-Q58 PolarHBondContact O-N 3.24Å; I54-V238 HydrophobicContact CB-CG1 4.25Å; I54-V238 HydrophobicContact CG2-CG1 3.96Å; I54-V238 HydrophobicContact CG2-CG2 4.05Å; I54-V374 HydrophobicContact CD1-CG1 4.39Å; I54-L378 HydrophobicContact CG1-CD1 3.68Å
55A77.9Confident75.7Confident30 Ų3050.9 Ų50.925%0.24827%0.272CS..Hα-helixtrans-60.9-45.1175.700000111.8T51 K52 Q58 N59 V238T51-A55 PolarHBondContact O-N 3.4Å; K52-A55 PolarHBondContact O-N 3.41Å; A55-Q58 PolarHBondContact O-N 3.41Å; A55-N59 WeakPolarHBondContact O-CB 3.48Å; A55-N59 PolarHBondContact O-N 3.32Å; A55-V238 HydrophobicContact CB-CG1 3.98Å
56C77.8Confident74.7Confident80 Ų8046.8 Ų46.854%0.54127%0.266SS..Hα-helixtrans-62.9-41.5175.5-172.20000112.1K52 T53 N59 T60K52-C56 WeakPolarHBondContact O-CB 3.4Å; K52-C56 PolarHBondContact O-N 2.76Å; T53-C56 PolarHBondContact O-N 3.09Å; C56-N59 PolarHBondContact O-N 3.36Å; C56-T60 WeakPolarHBondContact O-CB 3.37Å; C56-T60 PolarHBondContact O-N 3.17Å; C56-T60 PolarHBondContact O-OG1 3.49Å
57V73.3Confident73.6Confident20 Ų2049 Ų4912%0.12128%0.278CS..Hα-helixtrans-61.7-50174164.30000111T53 I54 N59 T60 V61 L378 T382T53-V57 HydrophobicContact CG2-CG2 4.47Å; T53-V57 WeakPolarHBondContact O-CB 3.45Å; T53-V57 VanDerWaalsContact O-CG2 3.26Å; T53-V57 WeakPolarHBondContact O-CG2 3.39Å; T53-V57 PolarHBondContact O-N 3.48Å; I54-V57 PolarHBondContact O-N 2.75Å; V57-N59 VanDerWaalsContact C-N 3.32Å; V57-N59 PolarHBondContact O-N 3.25Å; V57-T60 WeakPolarHBondContact O-CB 3.42Å; V57-T60 PolarHBondContact O-N 3.37Å; V57-T60 VanDerWaalsContact O-N 3.16Å; V57-V61 HydrophobicContact CG1-CG2 4.24Å; V57-V61 WeakPolarHBondContact O-CB 3.49Å; V57-V61 WeakPolarHBondContact O-CG2 3.39Å; V57-V61 PolarHBondContact O-N 3.13Å; V57-L378 HydrophobicContact CG1-CD2 3.87Å; V57-T382 HydrophobicContact CB-CG2 4.11Å; V57-T382 HydrophobicContact CG1-CG2 3.46Å; V57-T382 VanDerWaalsContact CG1-CG2 3.46Å; V57-T382 HydrophobicContact CG2-CG2 3.89Å
58Q74.3Confident72.4Confident41 Ų4149 Ų4919%0.19228%0.278CS..Hα-helixtrans-63-36.2178.6-74.2-173-7.700113I54 A55 G62 Y234 V238I54-Q58 HydrophobicContact CG2-CG 4.44Å; I54-Q58 WeakPolarHBondContact O-CG 3.49Å; I54-Q58 PolarHBondContact O-N 3.24Å; A55-Q58 PolarHBondContact O-N 3.41Å; Q58-G62 PolarHBondContact O-N 3.11Å; Q58-Y234 HydrophobicContact CB-CE1 4.17Å; Q58-Y234 HydrophobicContact CG-CD1 4.08Å; Q58-Y234 HydrophobicContact CG-CE1 3.81Å; Q58-Y234 PolarHBondContact O-OH 2.8Å; Q58-V238 VanDerWaalsContact NE2-CG2 3.34Å
59N73.6Confident71.1Confident93 Ų9357 Ų5750%0.49731%0.307SS..Hα-helixtrans-65.5-44173.4-169.8-18.2000110.9A55 C56 V57 G62 K63A55-N59 WeakPolarHBondContact O-CB 3.48Å; A55-N59 PolarHBondContact O-N 3.32Å; C56-N59 PolarHBondContact O-N 3.36Å; V57-N59 VanDerWaalsContact C-N 3.32Å; V57-N59 PolarHBondContact O-N 3.25Å; N59-G62 PolarHBondContact O-N 2.85Å; N59-K63 WeakPolarHBondContact O-CG 3.37Å; N59-K63 PolarHBondContact O-N 3.11Å; N59-K63 WeakPolarHBondContact OD1-CE 3.39Å
60T69.6Low70Confident55 Ų5556.8 Ų56.834%0.33731%0.311SS..Hα-helixtrans-63.3-46.3176.2-56.40000111.8C56 V57 G62 K63 Q64C56-T60 WeakPolarHBondContact O-CB 3.37Å; C56-T60 PolarHBondContact O-N 3.17Å; C56-T60 PolarHBondContact O-OG1 3.49Å; V57-T60 WeakPolarHBondContact O-CB 3.42Å; V57-T60 PolarHBondContact O-N 3.37Å; V57-T60 VanDerWaalsContact O-N 3.16Å; T60-G62 VanDerWaalsContact C-N 3.34Å; T60-G62 PolarHBondContact O-N 3.18Å; T60-K63 PolarHBondContact O-N 3.24Å; T60-Q64 HydrophobicContact CG2-CG 4.49Å; T60-Q64 WeakPolarHBondContact O-CB 3.45Å; T60-Q64 WeakPolarHBondContact O-CG 3.45Å; T60-Q64 PolarHBondContact O-N 3.11Å
61V67.5Low69Low18 Ų1858.8 Ų58.811%0.10932%0.323CS..Hα-helixtrans-64.5-37.5175.4171.60000111.2V57 Q64 A65 M232 T382 F384V57-V61 HydrophobicContact CG1-CG2 4.24Å; V57-V61 WeakPolarHBondContact O-CB 3.49Å; V57-V61 WeakPolarHBondContact O-CG2 3.39Å; V57-V61 PolarHBondContact O-N 3.13Å; V61-Q64 PolarHBondContact O-N 3.37Å; V61-A65 WeakPolarHBondContact O-CB 3.39Å; V61-A65 PolarHBondContact O-N 3.32Å; V61-M232 HydrophobicContact CG1-CE 4.22Å; V61-T382 HydrophobicContact CG2-CG2 4.08Å; V61-F384 HydrophobicContact CB-CE2 4.48Å; V61-F384 HydrophobicContact CG1-CE2 3.95Å; V61-F384 HydrophobicContact CG1-CZ 4.43Å; V61-F384 HydrophobicContact CG2-CE2 4.02Å
62G68.1Low67.9Low36 Ų3659.5 Ų59.537%0.37133%0.331SS..Hα-helixtrans-62.5-40.8174.200000113Q58 N59 T60 G66Q58-G62 PolarHBondContact O-N 3.11Å; N59-G62 PolarHBondContact O-N 2.85Å; T60-G62 VanDerWaalsContact C-N 3.34Å; T60-G62 PolarHBondContact O-N 3.18Å; G62-G66 PolarHBondContact O-N 3.44Å
63K66.5Low66.9Low137 Ų13758.7 Ų58.760%0.59633%0.333SS*.Hα-helixtrans-68.4-50173.8-71.5171.4177.5175.20111.7N59 T60 A65 G66 D67N59-K63 WeakPolarHBondContact O-CG 3.37Å; N59-K63 PolarHBondContact O-N 3.11Å; N59-K63 WeakPolarHBondContact OD1-CE 3.39Å; T60-K63 PolarHBondContact O-N 3.24Å; K63-A65 PolarHBondContact O-N 3.31Å; K63-G66 WeakPolarHBondContact O-CA 3.38Å; K63-G66 PolarHBondContact O-N 3.06Å; K63-D67 PolarHBondContact O-N 3.21Å; K63-D67 VanDerWaalsContact O-N 3.11Å
64Q63.4Low66Low66 Ų6662.8 Ų62.831%0.30835%0.345SS..Hα-helixtrans-61.7-27.7177.1-73.8178.4-24.900112.8T60 V61 G66 D67 L68T60-Q64 HydrophobicContact CG2-CG 4.49Å; T60-Q64 WeakPolarHBondContact O-CB 3.45Å; T60-Q64 WeakPolarHBondContact O-CG 3.45Å; T60-Q64 PolarHBondContact O-N 3.11Å; V61-Q64 PolarHBondContact O-N 3.37Å; Q64-G66 VanDerWaalsContact C-N 3.33Å; Q64-D67 CarbonylContact O-C 3.54Å; Q64-D67 PolarHBondContact O-N 3.19Å; Q64-L68 WeakPolarHBondContact O-CB 3.13Å; Q64-L68 PolarHBondContact O-N 3.11Å
65A61.7Low65.1Low3 Ų364.3 Ų64.33%0.02535%0.354CS..Hα-helixtrans-68.2-29.9171.300000112.8V61 K63 L68 Y230 M232V61-A65 WeakPolarHBondContact O-CB 3.39Å; V61-A65 PolarHBondContact O-N 3.32Å; K63-A65 PolarHBondContact O-N 3.31Å; A65-L68 WeakPolarHBondContact O-CB 3.41Å; A65-Y230 HydrophobicContact CB-CD2 4.17Å; A65-Y230 HydrophobicContact CB-CE2 4.07Å; A65-Y230 WeakPolarHBondContact O-CE2 3.49Å; A65-M232 HydrophobicContact CB-CE 3.67Å; A65-M232 HydrophobicContact CB-CG 4.04Å
66G62.6Low64Low33 Ų3364 Ų6434%0.3435%0.351SS..Hα-helixtrans-66.9-48.2166.600000111.5G62 K63 Q64 L68 R69G62-G66 PolarHBondContact O-N 3.44Å; K63-G66 WeakPolarHBondContact O-CA 3.38Å; K63-G66 PolarHBondContact O-N 3.06Å; Q64-G66 VanDerWaalsContact C-N 3.33Å; G66-L68 PolarHBondContact O-N 3.11Å; G66-R69 PolarHBondContact O-N 2.99Å
67D62.1Low63.1Low90 Ų9065.9 Ų65.948%0.48135%0.352SS..Hα-helixtrans-63.9-23.1176.8-64.5-38.9000113.1K63 Q64 R69 T70 V71K63-D67 PolarHBondContact O-N 3.21Å; K63-D67 VanDerWaalsContact O-N 3.11Å; Q64-D67 CarbonylContact O-C 3.54Å; Q64-D67 PolarHBondContact O-N 3.19Å; D67-R69 PolarHBondContact O-N 3.4Å; D67-R69 VanDerWaalsContact O-N 3.16Å; D67-T70 CarbonylContact O-C 3.48Å; D67-T70 WeakPolarHBondContact O-CA 3.22Å; D67-T70 WeakPolarHBondContact O-CB 3.31Å; D67-T70 PolarHBondContact O-N 3.38Å; D67-T70 PolarHBondContact O-OG1 3.14Å; D67-V71 PolarHBondContact O-N 3.11Å
68L56.6Low62.5Low53 Ų5367.8 Ų67.828%0.27737%0.37SS..Hα-helixtrans-58.7-25.3176.6-166.268.8000112.1Q64 A65 G66 T70 V71 G72Q64-L68 WeakPolarHBondContact O-CB 3.13Å; Q64-L68 PolarHBondContact O-N 3.11Å; A65-L68 WeakPolarHBondContact O-CB 3.41Å; G66-L68 PolarHBondContact O-N 3.11Å; L68-T70 VanDerWaalsContact C-N 3.34Å; L68-V71 PolarHBondContact O-N 3.4Å; L68-G72 WeakPolarHBondContact O-CA 3.15Å; L68-G72 PolarHBondContact O-N 3.11Å
69R57.2Low61.5Low181 Ų18173 Ų7368%0.68339%0.392SS*.Hα-helixtrans-66-36.8169.3-171.4176.5-177172.21.6111.9G66 D67 T73G66-R69 PolarHBondContact O-N 2.99Å; D67-R69 PolarHBondContact O-N 3.4Å; D67-R69 VanDerWaalsContact O-N 3.16Å; R69-T73 WeakPolarHBondContact O-CB 3.48Å; R69-T73 WeakPolarHBondContact O-CG2 3.31Å; R69-T73 PolarHBondContact O-N 3.1Å; R69-T73 VanDerWaalsContact O-N 3.13Å; R69-T73 PolarHBondContact O-OG1 3.1Å
70T59.4Low60.9Low59 Ų5970.1 Ų70.136%0.36238%0.376SS..Hα-helixtrans-76.7-33.3175.584.20000112D67 L68 T73 K74D67-T70 CarbonylContact O-C 3.48Å; D67-T70 WeakPolarHBondContact O-CA 3.22Å; D67-T70 WeakPolarHBondContact O-CB 3.31Å; D67-T70 PolarHBondContact O-N 3.38Å; D67-T70 PolarHBondContact O-OG1 3.14Å; L68-T70 VanDerWaalsContact C-N 3.34Å; T70-T73 WeakPolarHBondContact CA-OG1 3.28Å; T70-T73 PolarHBondContact O-OG1 3.46Å; T70-K74 WeakPolarHBondContact O-CB 3.49Å; T70-K74 VanDerWaalsContact O-CD 3.28Å; T70-K74 WeakPolarHBondContact O-CD 3.23Å; T70-K74 WeakPolarHBondContact O-CG 3.31Å; T70-K74 PolarHBondContact O-N 3.08Å
71V60.8Low60.6Low60 Ų6074.3 Ų74.336%0.36439%0.39SS..Hα-helixtrans-72.2-42.4175179.60000110.7D67 L68 K74 L75D67-V71 PolarHBondContact O-N 3.11Å; L68-V71 PolarHBondContact O-N 3.4Å; V71-K74 PolarHBondContact O-N 3.21Å; V71-L75 VanDerWaalsContact O-CB 3.23Å; V71-L75 WeakPolarHBondContact O-CB 3.26Å; V71-L75 PolarHBondContact O-N 3.37Å
72G56.5Low60.5Low20 Ų2077.5 Ų77.521%0.20641%0.411CS..Hα-helixtrans-58.1-55.6174.500000111.7L68 K74 L75 A76L68-G72 WeakPolarHBondContact O-CA 3.15Å; L68-G72 PolarHBondContact O-N 3.11Å; G72-K74 PolarHBondContact O-N 3.44Å; G72-L75 PolarHBondContact O-N 3.18Å; G72-L75 VanDerWaalsContact O-N 3.16Å; G72-A76 VanDerWaalsContact O-CB 3.28Å; G72-A76 WeakPolarHBondContact O-CB 3.2Å; G72-A76 PolarHBondContact O-N 3.18Å
73T59.7Low60.2Low61 Ų6182.1 Ų82.137%0.37442%0.421SS..Hα-helixtrans-61.1-38.6176.747.80000113R69 T70 H77R69-T73 WeakPolarHBondContact O-CB 3.48Å; R69-T73 WeakPolarHBondContact O-CG2 3.31Å; R69-T73 PolarHBondContact O-N 3.1Å; R69-T73 VanDerWaalsContact O-N 3.13Å; R69-T73 PolarHBondContact O-OG1 3.1Å; T70-T73 WeakPolarHBondContact CA-OG1 3.28Å; T70-T73 PolarHBondContact O-OG1 3.46Å; T73-H77 WeakPolarHBondContact O-CB 3.44Å; T73-H77 PolarHBondContact O-N 2.99Å
74K60.6Low60.1Low143 Ų14378.9 Ų78.962%0.62241%0.41SS*.Hα-helixtrans-65-42.1173.2-77.2167.8-174.2165.40112.5T70 V71 G72 A78T70-K74 WeakPolarHBondContact O-CB 3.49Å; T70-K74 VanDerWaalsContact O-CD 3.28Å; T70-K74 WeakPolarHBondContact O-CD 3.23Å; T70-K74 WeakPolarHBondContact O-CG 3.31Å; T70-K74 PolarHBondContact O-N 3.08Å; V71-K74 PolarHBondContact O-N 3.21Å; G72-K74 PolarHBondContact O-N 3.44Å; K74-A78 VanDerWaalsContact O-CB 3.23Å; K74-A78 WeakPolarHBondContact O-CB 3.42Å; K74-A78 PolarHBondContact O-N 2.95Å
75L57Low60.3Low72 Ų7281.2 Ų81.238%0.37742%0.421SS..Hα-helixtrans-69.3-43.8178.9-178.464.3000111.1V71 G72 A78 K79 M386V71-L75 VanDerWaalsContact O-CB 3.23Å; V71-L75 WeakPolarHBondContact O-CB 3.26Å; V71-L75 PolarHBondContact O-N 3.37Å; G72-L75 PolarHBondContact O-N 3.18Å; G72-L75 VanDerWaalsContact O-N 3.16Å; L75-A78 PolarHBondContact O-N 2.88Å; L75-K79 HydrophobicContact CD1-CG 4.24Å; L75-K79 WeakPolarHBondContact O-CB 3.24Å; L75-K79 WeakPolarHBondContact O-CG 3.44Å; L75-K79 PolarHBondContact O-N 3.43Å; L75-M386 HydrophobicContact CD1-CE 4.16Å; L75-M386 HydrophobicContact CD2-CE 3.98Å; L75-M386 HydrophobicContact CD2-SD 3.82Å
76A55.3Low60.4Low23 Ų2385.6 Ų85.619%0.1944%0.441CS..Hα-helixtrans-57-52.8172.500000109.7G72 A78 K79 L80 M224G72-A76 VanDerWaalsContact O-CB 3.28Å; G72-A76 WeakPolarHBondContact O-CB 3.2Å; G72-A76 PolarHBondContact O-N 3.18Å; A76-A78 PolarHBondContact O-N 3.11Å; A76-K79 CarbonylContact O-C 3.53Å; A76-K79 PolarHBondContact O-N 2.99Å; A76-L80 VanDerWaalsContact O-CB 3.27Å; A76-L80 WeakPolarHBondContact O-CB 3.5Å; A76-L80 WeakPolarHBondContact O-CD1 3.39Å; A76-L80 PolarHBondContact O-N 3.35Å; A76-M224 HydrophobicContact CB-CE 3.85Å
77H60.2Low60.5Low119 Ų11985.5 Ų85.555%0.55144%0.436SS*.Hα-helixtrans-60.1-41.9177.1-171.983.6000112.9T73 L80 K81T73-H77 WeakPolarHBondContact O-CB 3.44Å; T73-H77 PolarHBondContact O-N 2.99Å; H77-L80 PolarHBondContact O-N 3.33Å; H77-K81 WeakPolarHBondContact O-CB 3.36Å; H77-K81 PolarHBondContact O-N 3.2Å
78A60.1Low60.9Low61 Ų6184.2 Ų84.250%0.50443%0.434SS..Hα-helixtrans-65.9-39.3177.300000112.7K74 L75 A76K74-A78 VanDerWaalsContact O-CB 3.23Å; K74-A78 WeakPolarHBondContact O-CB 3.42Å; K74-A78 PolarHBondContact O-N 2.95Å; L75-A78 PolarHBondContact O-N 2.88Å; A76-A78 PolarHBondContact O-N 3.11Å
79K52.3Low61.6Low150 Ų15085.9 Ų85.965%0.65244%0.441SS*.Hα-helixtrans-75.9-27.6174.7-70.1-72.2-174.5175.90112.7L75 A76 P82 F83L75-K79 HydrophobicContact CD1-CG 4.24Å; L75-K79 WeakPolarHBondContact O-CB 3.24Å; L75-K79 WeakPolarHBondContact O-CG 3.44Å; L75-K79 PolarHBondContact O-N 3.43Å; A76-K79 CarbonylContact O-C 3.53Å; A76-K79 PolarHBondContact O-N 2.99Å; K79-P82 WeakPolarHBondContact O-CD 3.25Å; K79-F83 WeakPolarHBondContact O-CD2 3.43Å
80L61.7Low62.1Low32 Ų3281.7 Ų81.717%0.16843%0.428CS..Hα-helixtrans-77.9-28.1173.2-106.472000113.2A76 H77 P82 F83 L84 F222 M224A76-L80 VanDerWaalsContact O-CB 3.27Å; A76-L80 WeakPolarHBondContact O-CB 3.5Å; A76-L80 WeakPolarHBondContact O-CD1 3.39Å; A76-L80 PolarHBondContact O-N 3.35Å; H77-L80 PolarHBondContact O-N 3.33Å; L80-P82 VanDerWaalsContact C-CD 3.47Å; L80-P82 VanDerWaalsContact C-N 3.28Å; L80-P82 VanDerWaalsContact O-N 3.13Å; L80-F83 CarbonylContact O-C 3.5Å; L80-F83 WeakPolarHBondContact O-CA 3.3Å; L80-F83 WeakPolarHBondContact O-CB 3.41Å; L80-F83 PolarHBondContact O-N 2.97Å; L80-L84 HydrophobicContact CB-CD1 4Å; L80-L84 HydrophobicContact CB-CG 4.16Å; L80-L84 HydrophobicContact CD2-CD1 4.32Å; L80-L84 HydrophobicContact CD2-CD2 4.49Å; L80-L84 HydrophobicContact CD2-CG 4.35Å; L80-L84 PolarHBondContact O-N 3.18Å; L80-F222 HydrophobicContact CD1-CZ 4.3Å; L80-F222 HydrophobicContact CD2-CE1 3.55Å; L80-F222 HydrophobicContact CD2-CZ 3.7Å; L80-F222 HydrophobicContact CG-CE1 4.22Å; L80-F222 HydrophobicContact CG-CZ 3.88Å; L80-M224 HydrophobicContact CD1-SD 4.09Å; L80-M224 HydrophobicContact CD2-SD 3.32Å; L80-M224 WeakPolarHBondContact CD2-SD 3.33Å; L80-M224 HydrophobicContact CG-SD 4.35Å
81K63.2Low62.7Low143 Ų14381.8 Ų81.862%0.62243%0.429SS*.Hα-helixtrans-49.9-40.9-174.9-173.5175.2179.7-179.90113.5H77 H85H77-K81 WeakPolarHBondContact O-CB 3.36Å; H77-K81 PolarHBondContact O-N 3.2Å; K81-H85 VanDerWaalsContact O-CB 3.3Å; K81-H85 WeakPolarHBondContact O-CB 3.36Å; K81-H85 PolarHBondContact O-N 3.03Å
82P64.7Low63.5Low85 Ų8583.6 Ų83.655%0.55243%0.433SS*.Hα-helixtrans-62.6-42.4170.4-23.735.5000114.4K79 L80 H85 M86K79-P82 WeakPolarHBondContact O-CD 3.25Å; L80-P82 VanDerWaalsContact C-CD 3.47Å; L80-P82 VanDerWaalsContact C-N 3.28Å; L80-P82 VanDerWaalsContact O-N 3.13Å; P82-H85 PolarHBondContact O-N 3.07Å; P82-M86 WeakPolarHBondContact O-CB 3.48Å; P82-M86 PolarHBondContact O-N 3.2Å
83F61.8Low64.6Low134 Ų13485.9 Ų85.959%0.58844%0.443SS*.Hα-helixtrans-70.3-38.7178.5-64.4-79.6000112.6K79 L80 M86 S87K79-F83 WeakPolarHBondContact O-CD2 3.43Å; L80-F83 CarbonylContact O-C 3.5Å; L80-F83 WeakPolarHBondContact O-CA 3.3Å; L80-F83 WeakPolarHBondContact O-CB 3.41Å; L80-F83 PolarHBondContact O-N 2.97Å; F83-M86 WeakPolarHBondContact O-CB 3.4Å; F83-M86 PolarHBondContact O-N 3.06Å; F83-S87 WeakPolarHBondContact O-CB 3.46Å; F83-S87 PolarHBondContact O-N 3.43Å
84L65.7Low65.2Low68 Ų6883.6 Ų83.636%0.35643%0.43SS..Hα-helixtrans-65.5-39.1173.2-68.1173.2000111.3L80 S87 S88L80-L84 HydrophobicContact CB-CD1 4Å; L80-L84 HydrophobicContact CB-CG 4.16Å; L80-L84 HydrophobicContact CD2-CD1 4.32Å; L80-L84 HydrophobicContact CD2-CD2 4.49Å; L80-L84 HydrophobicContact CD2-CG 4.35Å; L80-L84 PolarHBondContact O-N 3.18Å; L84-S87 WeakPolarHBondContact O-CB 3.32Å; L84-S87 PolarHBondContact O-N 3.45Å; L84-S88 PolarHBondContact O-N 3.28Å
85H67.5Low66Low116 Ų11681.6 Ų81.654%0.53743%0.426SS..Hα-helixtrans-63.4-47.5172.4-170.6-82.7000111.2K81 P82 S87 S88 M89K81-H85 VanDerWaalsContact O-CB 3.3Å; K81-H85 WeakPolarHBondContact O-CB 3.36Å; K81-H85 PolarHBondContact O-N 3.03Å; P82-H85 PolarHBondContact O-N 3.07Å; H85-S87 VanDerWaalsContact C-N 3.32Å; H85-S87 PolarHBondContact O-N 3.17Å; H85-S88 PolarHBondContact O-N 3.19Å; H85-S88 VanDerWaalsContact O-N 3.08Å; H85-S88 PolarHBondContact O-OG 3.37Å; H85-M89 WeakPolarHBondContact O-CG 3.47Å; H85-M89 PolarHBondContact O-N 3.09Å; H85-M89 VanDerWaalsContact O-N 3.13Å
86M64.3Low67.2Low94 Ų9486.2 Ų86.246%0.46344%0.439SS..Hα-helixtrans-55.6-45.9175.6-170.36774.300112.1P82 F83 S88 M89 F90P82-M86 WeakPolarHBondContact O-CB 3.48Å; P82-M86 PolarHBondContact O-N 3.2Å; F83-M86 WeakPolarHBondContact O-CB 3.4Å; F83-M86 PolarHBondContact O-N 3.06Å; M86-S88 PolarHBondContact O-N 3.13Å; M86-M89 HydrophobicContact CE-CE 4.44Å; M86-M89 PolarHBondContact O-N 2.99Å; M86-M89 HydrophobicContact SD-CE 3.64Å; M86-F90 HydrophobicContact CG-CD2 4.11Å; M86-F90 HydrophobicContact CG-CE2 3.68Å; M86-F90 VanDerWaalsContact O-CD2 3.28Å; M86-F90 WeakPolarHBondContact O-CD2 3.27Å; M86-F90 PolarHBondContact O-N 3.14Å; M86-F90 HydrophobicContact SD-CE2 3.89Å; M86-F90 HydrophobicContact SD-CZ 4.45Å
87S63.6Low68.2Low31 Ų3187.2 Ų87.222%0.21744%0.443CS..Hα-helixtrans-52.9-49.1171.7151.10000112.6F83 L84 H85 M89 F90 T91 F220F83-S87 WeakPolarHBondContact O-CB 3.46Å; F83-S87 PolarHBondContact O-N 3.43Å; L84-S87 WeakPolarHBondContact O-CB 3.32Å; L84-S87 PolarHBondContact O-N 3.45Å; H85-S87 VanDerWaalsContact C-N 3.32Å; H85-S87 PolarHBondContact O-N 3.17Å; S87-M89 VanDerWaalsContact C-N 3.33Å; S87-M89 PolarHBondContact O-N 3.04Å; S87-F90 PolarHBondContact O-N 3.36Å; S87-T91 PolarHBondContact O-N 2.97Å; S87-T91 PolarHBondContact O-OG1 3.5Å; S87-F220 VanDerWaalsContact O-CZ 3.26Å; S87-F220 WeakPolarHBondContact O-CZ 3.43Å; S87-F220 VanDerWaalsContact OG-CE2 3.23Å; S87-F220 WeakPolarHBondContact OG-CE2 3.44Å; S87-F220 WeakPolarHBondContact OG-CZ 3.41Å
88S70Confident69Low63 Ų6385.4 Ų85.444%0.44143%0.433SS..Hα-helixtrans-62.7-37.6-179.169.10000113L84 H85 M86 T91 E92L84-S88 PolarHBondContact O-N 3.28Å; H85-S88 PolarHBondContact O-N 3.19Å; H85-S88 VanDerWaalsContact O-N 3.08Å; H85-S88 PolarHBondContact O-OG 3.37Å; M86-S88 PolarHBondContact O-N 3.13Å; S88-T91 PolarHBondContact O-N 3.12Å; S88-E92 PolarHBondContact O-N 3.01Å
89M70.9Confident70Confident88 Ų8885.1 Ų85.143%0.43343%0.431SS..Hα-helixtrans-64.3-46177.1-61.2-165.4-51.500112.2H85 M86 S87 T91 E92 V93H85-M89 WeakPolarHBondContact O-CG 3.47Å; H85-M89 PolarHBondContact O-N 3.09Å; H85-M89 VanDerWaalsContact O-N 3.13Å; M86-M89 HydrophobicContact CE-CE 4.44Å; M86-M89 PolarHBondContact O-N 2.99Å; M86-M89 HydrophobicContact SD-CE 3.64Å; S87-M89 VanDerWaalsContact C-N 3.33Å; S87-M89 PolarHBondContact O-N 3.04Å; M89-T91 VanDerWaalsContact C-N 3.3Å; M89-T91 PolarHBondContact O-N 3.36Å; M89-E92 PolarHBondContact O-N 3.19Å; M89-V93 PolarHBondContact O-N 3.22Å
90F69.1Low71.4Confident93 Ų9382.9 Ų82.941%0.40843%0.425SS..Hα-helixtrans-62.6-37.8175.7-74.1-61.6000112.3M86 S87 E92 V93 A94 Y218 F220M86-F90 HydrophobicContact CG-CD2 4.11Å; M86-F90 HydrophobicContact CG-CE2 3.68Å; M86-F90 VanDerWaalsContact O-CD2 3.28Å; M86-F90 WeakPolarHBondContact O-CD2 3.27Å; M86-F90 PolarHBondContact O-N 3.14Å; M86-F90 HydrophobicContact SD-CE2 3.89Å; M86-F90 HydrophobicContact SD-CZ 4.45Å; S87-F90 PolarHBondContact O-N 3.36Å; F90-E92 PolarHBondContact O-N 3.32Å; F90-V93 PolarHBondContact O-N 3.05Å; F90-A94 PolarHBondContact O-N 3.31Å; F90-Y218 HydrophobicContact CD1-CD1 4.33Å; F90-Y218 HydrophobicContact CD1-CE1 4.46Å; F90-F220 HydrophobicContact CB-CD1 4.17Å; F90-F220 HydrophobicContact CB-CE1 3.59Å; F90-F220 HydrophobicContact CB-CZ 4.43Å; F90-F220 HydrophobicContact CG-CE1 4.49Å
91T71.3Confident72.3Confident62 Ų6282.7 Ų82.738%0.3842%0.424SS..Hα-helixtrans-65.8-36.5178.3-51.10000112.2S87 S88 M89 N95S87-T91 PolarHBondContact O-N 2.97Å; S87-T91 PolarHBondContact O-OG1 3.5Å; S88-T91 PolarHBondContact O-N 3.12Å; M89-T91 VanDerWaalsContact C-N 3.3Å; M89-T91 PolarHBondContact O-N 3.36Å; T91-N95 PolarHBondContact O-N 3.19Å; T91-N95 PolarHBondContact O-ND2 3.32Å; T91-N95 VanDerWaalsContact O-ND2 3.1Å
92E78.8Confident73.2Confident98 Ų9881.7 Ų81.746%0.45842%0.42SS..Hα-helixtrans-66.6-43.2177.4-161-168.1154.100112.1S88 M89 F90 A94 N95 R96S88-E92 PolarHBondContact O-N 3.01Å; M89-E92 PolarHBondContact O-N 3.19Å; F90-E92 PolarHBondContact O-N 3.32Å; E92-A94 VanDerWaalsContact C-N 3.34Å; E92-A94 PolarHBondContact O-N 3.04Å; E92-N95 PolarHBondContact O-N 3.06Å; E92-R96 WeakPolarHBondContact O-CG 3.33Å; E92-R96 PolarHBondContact O-N 3.07Å; E92-R96 IonicContact OE1-CZ 2.81Å; E92-R96 IonicContact OE1-NE 2.62Å; E92-R96 PolarHBondContact OE1-NE 3.3Å; E92-R96 IonicContact OE1-NH2 3.14Å; E92-R96 PolarHBondContact OE1-NH2 2.81Å
93V78.4Confident74.1Confident67 Ų6783.3 Ų83.341%0.40642%0.424SS..Hα-helixtrans-59.2-44.2178172.80000111.4M89 F90 T97 Y218M89-V93 PolarHBondContact O-N 3.22Å; F90-V93 PolarHBondContact O-N 3.05Å; V93-T97 PolarHBondContact O-N 3.2Å; V93-T97 PolarHBondContact O-OG1 3.32Å; V93-Y218 HydrophobicContact CG1-CE1 4.16Å
94A72.3Confident75.1Confident13 Ų1381.1 Ų81.111%0.10742%0.417CS..Hα-helixtrans-61.7-47.1176.100000112F90 E92 T97 K98 Y218F90-A94 PolarHBondContact O-N 3.31Å; E92-A94 VanDerWaalsContact C-N 3.34Å; E92-A94 PolarHBondContact O-N 3.04Å; A94-T97 PolarHBondContact O-N 2.68Å; A94-K98 PolarHBondContact O-N 3.41Å; A94-Y218 HydrophobicContact CB-CG 4.45Å
95N77.2Confident75.6Confident102 Ų10281.8 Ų81.855%0.54542%0.418SS..Hα-helixtrans-64.6-42.5-179.6-79.1-43.6000113.2T91 E92 T97 K98 A99T91-N95 PolarHBondContact O-N 3.19Å; T91-N95 PolarHBondContact O-ND2 3.32Å; T91-N95 VanDerWaalsContact O-ND2 3.1Å; E92-N95 PolarHBondContact O-N 3.06Å; N95-T97 VanDerWaalsContact C-N 3.27Å; N95-T97 PolarHBondContact O-N 3.36Å; N95-K98 PolarHBondContact O-N 3.4Å; N95-A99 PolarHBondContact O-N 3.23Å
96R82.7Confident76.3Confident169 Ų16979.6 Ų79.664%0.63841%0.413SS*.Hα-helixtrans-57.6-42.4174.4-73.9177.8178.1-138.27.1111.2E92 A99E92-R96 WeakPolarHBondContact O-CG 3.33Å; E92-R96 PolarHBondContact O-N 3.07Å; E92-R96 IonicContact OE1-CZ 2.81Å; E92-R96 IonicContact OE1-NE 2.62Å; E92-R96 PolarHBondContact OE1-NE 3.3Å; E92-R96 IonicContact OE1-NH2 3.14Å; E92-R96 PolarHBondContact OE1-NH2 2.81Å; R96-A99 PolarHBondContact O-N 3.42Å
97T75.9Confident77.2Confident44 Ų4477.2 Ų77.227%0.2741%0.412SS..Hα-helixtrans-71.4-40.1-177.8-490000112.2V93 A94 N95 A99 I100 L101 L214V93-T97 PolarHBondContact O-N 3.2Å; V93-T97 PolarHBondContact O-OG1 3.32Å; A94-T97 PolarHBondContact O-N 2.68Å; N95-T97 VanDerWaalsContact C-N 3.27Å; N95-T97 PolarHBondContact O-N 3.36Å; T97-A99 VanDerWaalsContact C-N 3.3Å; T97-A99 PolarHBondContact O-N 2.8Å; T97-I100 WeakPolarHBondContact O-CB 3.34Å; T97-I100 PolarHBondContact O-N 3.3Å; T97-I100 VanDerWaalsContact O-N 3.13Å; T97-L101 PolarHBondContact O-N 3.38Å; T97-L214 HydrophobicContact CG2-CD1 3.65Å; T97-L214 HydrophobicContact CG2-CD2 3.71Å; T97-L214 HydrophobicContact CG2-CG 4.34Å
98K77Confident78.1Confident80 Ų8076.5 Ų76.535%0.34841%0.407SS..Hα-helixtrans-59.3-37.6173.6176.2163.9175.7145.10113A94 N95 I100 L101 K102 E211A94-K98 PolarHBondContact O-N 3.41Å; N95-K98 PolarHBondContact O-N 3.4Å; K98-I100 VanDerWaalsContact C-N 3.27Å; K98-I100 PolarHBondContact O-N 3.09Å; K98-L101 PolarHBondContact O-N 3.15Å; K98-K102 PolarHBondContact O-N 3.01Å; K98-E211 WeakPolarHBondContact CE-OE1 3.26Å; K98-E211 IonicContact NZ-OE1 2.76Å; K98-E211 PolarHBondContact NZ-OE1 2.93Å
99A81.2Confident78.5Confident55 Ų5575.4 Ų75.446%0.45540%0.399SS..Hα-helixtrans-62.8-33.2176.600000112.9N95 R96 T97 N103N95-A99 PolarHBondContact O-N 3.23Å; R96-A99 PolarHBondContact O-N 3.42Å; T97-A99 VanDerWaalsContact C-N 3.3Å; T97-A99 PolarHBondContact O-N 2.8Å; A99-N103 PolarHBondContact O-N 3.26Å; A99-N103 PolarHBondContact O-ND2 3.25Å
100I82.3Confident79Confident104 Ų10474.3 Ų74.353%0.53340%0.398SS..Hα-helixtrans-67.8-48.2176.7-61.9169.8000110.4T97 K98 K102 N103 I104T97-I100 WeakPolarHBondContact O-CB 3.34Å; T97-I100 PolarHBondContact O-N 3.3Å; T97-I100 VanDerWaalsContact O-N 3.13Å; K98-I100 VanDerWaalsContact C-N 3.27Å; K98-I100 PolarHBondContact O-N 3.09Å; I100-K102 PolarHBondContact O-N 2.62Å; I100-N103 PolarHBondContact O-N 3.19Å; I100-I104 HydrophobicContact CG2-CD1 4.43Å; I100-I104 PolarHBondContact O-N 3.39Å
101L80.3Confident79.5Confident27 Ų2775.1 Ų75.114%0.14141%0.406CS..Hα-helixtrans-58.6-45-179.8-68.5171.7000112.2T97 K98 N103 I104 E105 A210 E211T97-L101 PolarHBondContact O-N 3.38Å; K98-L101 PolarHBondContact O-N 3.15Å; L101-N103 VanDerWaalsContact C-N 3.3Å; L101-N103 PolarHBondContact O-N 3.48Å; L101-I104 WeakPolarHBondContact O-CB 3.49Å; L101-I104 PolarHBondContact O-N 3.35Å; L101-E105 PolarHBondContact O-N 3.37Å; L101-A210 HydrophobicContact CD2-CB 4.34Å; L101-E211 HydrophobicContact CD1-CB 3.94Å; L101-E211 HydrophobicContact CD1-CG 4.12Å
102K82.1Confident79.8Confident123 Ų12372.3 Ų72.354%0.53539%0.388SS..Hα-helixtrans-62.4-32.2179.1-173.3171.8-177176.60113.9K98 I100 I104 T106K98-K102 PolarHBondContact O-N 3.01Å; I100-K102 PolarHBondContact O-N 2.62Å; K102-I104 VanDerWaalsContact C-N 3.32Å; K102-T106 WeakPolarHBondContact O-CB 3.23Å; K102-T106 PolarHBondContact O-N 3.36Å; K102-T106 PolarHBondContact O-OG1 2.81Å
103N84.3Confident79.8Confident119 Ų11974.4 Ų74.464%0.63639%0.392SS*.Hα-helixtrans-67.6-35.5174.9-71.3-22.2000111.5A99 I100 L101 G107A99-N103 PolarHBondContact O-N 3.26Å; A99-N103 PolarHBondContact O-ND2 3.25Å; I100-N103 PolarHBondContact O-N 3.19Å; L101-N103 VanDerWaalsContact C-N 3.3Å; L101-N103 PolarHBondContact O-N 3.48Å; N103-G107 PolarHBondContact O-N 3.17Å
104I81.1Confident79.8Confident87 Ų8773.1 Ų73.145%0.44639%0.392SS..Hα-helixtrans-69.4-47.4176.6-56.8168.7000110.3I100 L101 K102 T106 G107 V108 I207I100-I104 HydrophobicContact CG2-CD1 4.43Å; I100-I104 PolarHBondContact O-N 3.39Å; L101-I104 WeakPolarHBondContact O-CB 3.49Å; L101-I104 PolarHBondContact O-N 3.35Å; K102-I104 VanDerWaalsContact C-N 3.32Å; I104-T106 VanDerWaalsContact C-N 3.32Å; I104-T106 PolarHBondContact O-N 2.94Å; I104-G107 PolarHBondContact O-N 2.99Å; I104-G107 VanDerWaalsContact O-N 3.09Å; I104-V108 PolarHBondContact O-N 3.31Å; I104-I207 HydrophobicContact CB-CD1 4.48Å; I104-I207 HydrophobicContact CG2-CD1 3.77Å; I104-I207 HydrophobicContact CG2-CG1 4.34Å
105E77.8Confident79.9Confident83 Ų8374.7 Ų74.739%0.38840%0.399SS..Hα-helixtrans-50.6-50.4173.9-173.5-140.2148.800111.6L101 G107 V108 S109 I207L101-E105 PolarHBondContact O-N 3.37Å; E105-G107 VanDerWaalsContact C-N 3.27Å; E105-G107 PolarHBondContact O-N 3.13Å; E105-V108 PolarHBondContact O-N 2.81Å; E105-S109 WeakPolarHBondContact O-CB 3.02Å; E105-S109 PolarHBondContact O-N 3.17Å; E105-I207 HydrophobicContact CB-CG2 4.2Å
106T82.5Confident79.7Confident70 Ų7077 Ų7743%0.42940%0.4SS..Hα-helixtrans-60.3-36.5179.9-570000112.1K102 I104 T110K102-T106 WeakPolarHBondContact O-CB 3.23Å; K102-T106 PolarHBondContact O-N 3.36Å; K102-T106 PolarHBondContact O-OG1 2.81Å; I104-T106 VanDerWaalsContact C-N 3.32Å; I104-T106 PolarHBondContact O-N 2.94Å; T106-T110 WeakPolarHBondContact O-CB 3.2Å; T106-T110 PolarHBondContact O-N 3.3Å; T106-T110 PolarHBondContact O-OG1 3.43Å
107G82.9Confident79.4Confident43 Ų4376.6 Ų76.644%0.44340%0.403SS..Hα-helixtrans-64.9-50.2173.700000112.8N103 I104 E105 T110 L111N103-G107 PolarHBondContact O-N 3.17Å; I104-G107 PolarHBondContact O-N 2.99Å; I104-G107 VanDerWaalsContact O-N 3.09Å; E105-G107 VanDerWaalsContact C-N 3.27Å; E105-G107 PolarHBondContact O-N 3.13Å; G107-T110 WeakPolarHBondContact O-CB 3.41Å; G107-T110 PolarHBondContact O-N 3.4Å; G107-L111 PolarHBondContact O-N 3.22Å
108V82.2Confident79.3Confident16 Ų1679 Ų7910%0.09742%0.417CS..Hα-helixtrans-61.2-48-179.5176.40000111.4I104 E105 T110 L111 G112 I200 L203 E204 I207I104-V108 PolarHBondContact O-N 3.31Å; E105-V108 PolarHBondContact O-N 2.81Å; V108-T110 PolarHBondContact O-N 2.66Å; V108-L111 WeakPolarHBondContact O-CB 3.23Å; V108-L111 PolarHBondContact O-N 2.96Å; V108-L111 VanDerWaalsContact O-N 3.17Å; V108-G112 PolarHBondContact O-N 3.45Å; V108-I200 HydrophobicContact CG1-CG2 4.2Å; V108-L203 HydrophobicContact CG1-CB 4.01Å; V108-L203 HydrophobicContact CG2-CB 4.3Å; V108-E204 HydrophobicContact CG1-CG 3.69Å; V108-I207 HydrophobicContact CG2-CD1 4.01Å
109S77.8Confident78.8Confident40 Ų4079.1 Ų79.128%0.2842%0.421SS..Hα-helixtrans-59.1-35.6176.4173.40000112.4E105 G112 R113E105-S109 WeakPolarHBondContact O-CB 3.02Å; E105-S109 PolarHBondContact O-N 3.17Å; S109-G112 PolarHBondContact O-N 3Å; S109-R113 WeakPolarHBondContact O-CG 3.28Å; S109-R113 PolarHBondContact O-N 3.3Å
110T82.3Confident78.2Confident66 Ų6680.2 Ų80.241%0.40543%0.426SS..Hα-helixtrans-69.2-42.1176.7-58.20000112.2T106 G107 V108 G112 R113 G114T106-T110 WeakPolarHBondContact O-CB 3.2Å; T106-T110 PolarHBondContact O-N 3.3Å; T106-T110 PolarHBondContact O-OG1 3.43Å; G107-T110 WeakPolarHBondContact O-CB 3.41Å; G107-T110 PolarHBondContact O-N 3.4Å; V108-T110 PolarHBondContact O-N 2.66Å; T110-G112 VanDerWaalsContact C-N 3.33Å; T110-G112 PolarHBondContact O-N 3.43Å; T110-R113 PolarHBondContact O-N 3.48Å; T110-R113 PolarHBondContact OG1-NH2 3.32Å; T110-G114 PolarHBondContact O-N 3.05Å; T110-G114 VanDerWaalsContact O-N 3.14Å
111L79.3Confident77.8Confident110 Ų11083.6 Ų83.658%0.57643%0.432SS*.Hα-helixtrans-58.1-46.1172.2-15985.3000111.1G107 V108 R113 G114 I115G107-L111 PolarHBondContact O-N 3.22Å; V108-L111 WeakPolarHBondContact O-CB 3.23Å; V108-L111 PolarHBondContact O-N 2.96Å; V108-L111 VanDerWaalsContact O-N 3.17Å; L111-R113 VanDerWaalsContact C-N 3.28Å; L111-R113 PolarHBondContact O-N 3.04Å; L111-G114 PolarHBondContact O-N 3.31Å; L111-G114 VanDerWaalsContact O-N 3.13Å; L111-I115 HydrophobicContact CD2-CD1 4.47Å; L111-I115 HydrophobicContact CG-CD1 4.34Å; L111-I115 PolarHBondContact O-N 3.42Å; L111-I115 VanDerWaalsContact O-N 3.14Å
112G77Confident77.1Confident2 Ų286.6 Ų86.62%0.02145%0.448CS..Hα-helixtrans-67-21.5178.100000115V108 S109 T110 R116V108-G112 PolarHBondContact O-N 3.45Å; S109-G112 PolarHBondContact O-N 3Å; T110-G112 VanDerWaalsContact C-N 3.33Å; T110-G112 PolarHBondContact O-N 3.43Å; G112-R116 WeakPolarHBondContact O-CG 3.49Å; G112-R116 PolarHBondContact O-NE 3.1Å
113R78.7Confident76.3Confident142 Ų14283.1 Ų83.154%0.53644%0.439SS..Hα-helixtrans-77-39.2168.9-74-179-67.7153.2-0.2111.9S109 T110 L111 R116 K117S109-R113 WeakPolarHBondContact O-CG 3.28Å; S109-R113 PolarHBondContact O-N 3.3Å; T110-R113 PolarHBondContact O-N 3.48Å; T110-R113 PolarHBondContact OG1-NH2 3.32Å; L111-R113 VanDerWaalsContact C-N 3.28Å; L111-R113 PolarHBondContact O-N 3.04Å; R113-R116 PolarHBondContact O-N 3.34Å; R113-K117 PolarHBondContact O-N 3.18Å
114G78.5Confident75.4Confident40 Ų4079.4 Ų79.441%0.41243%0.429SS..Hα-helixtrans-59.3-50.9175.800000112.6T110 L111 R116 K117 V118T110-G114 PolarHBondContact O-N 3.05Å; T110-G114 VanDerWaalsContact O-N 3.14Å; L111-G114 PolarHBondContact O-N 3.31Å; L111-G114 VanDerWaalsContact O-N 3.13Å; G114-R116 VanDerWaalsContact C-N 3.32Å; G114-R116 PolarHBondContact O-N 3.25Å; G114-K117 PolarHBondContact O-N 3.25Å; G114-K117 VanDerWaalsContact O-N 3.07Å; G114-V118 PolarHBondContact O-N 3.35Å; G114-V118 VanDerWaalsContact O-N 3.11Å
115I74.9Confident74.7Confident47 Ų4778.9 Ų78.924%0.24143%0.429CS..Hα-helixtrans-60-39.9179.8-70.8157.5000111.8L111 K117 V118 N119 I195 I200L111-I115 HydrophobicContact CD2-CD1 4.47Å; L111-I115 HydrophobicContact CG-CD1 4.34Å; L111-I115 PolarHBondContact O-N 3.42Å; L111-I115 VanDerWaalsContact O-N 3.14Å; I115-K117 PolarHBondContact O-N 3.27Å; I115-V118 PolarHBondContact O-N 3.02Å; I115-N119 PolarHBondContact O-N 3.08Å; I115-N119 VanDerWaalsContact O-N 3.11Å; I115-I195 HydrophobicContact CD1-CG2 3.94Å; I115-I200 HydrophobicContact CD1-CD1 3.9Å
116R72.8Confident73.9Confident150 Ų15076.7 Ų76.757%0.56642%0.42SS*.Hα-helixtrans-60.3-40.6174-82.1-179.6-86.9-168.9-8.9112.8G112 R113 G114 N119 S120G112-R116 WeakPolarHBondContact O-CG 3.49Å; G112-R116 PolarHBondContact O-NE 3.1Å; R113-R116 PolarHBondContact O-N 3.34Å; G114-R116 VanDerWaalsContact C-N 3.32Å; G114-R116 PolarHBondContact O-N 3.25Å; R116-N119 PolarHBondContact O-N 2.91Å; R116-S120 PolarHBondContact O-N 3.38Å; R116-S120 VanDerWaalsContact O-N 3.11Å
117K75.5Confident72.9Confident160 Ų16078.3 Ų78.370%0.69643%0.425SS*.Hα-helixtrans-69.2-36.9179.1-168.7175.8-178.7-179.80112.6R113 G114 I115 S120 W121R113-K117 PolarHBondContact O-N 3.18Å; G114-K117 PolarHBondContact O-N 3.25Å; G114-K117 VanDerWaalsContact O-N 3.07Å; I115-K117 PolarHBondContact O-N 3.27Å; K117-S120 PolarHBondContact O-OG 3.43Å; K117-W121 WeakPolarHBondContact O-CB 3.43Å; K117-W121 PolarHBondContact O-N 2.69Å; K117-W121 VanDerWaalsContact O-N 3.11Å
118V74Confident71.9Confident95 Ų9584.4 Ų84.458%0.57643%0.434SS*.Hα-helixtrans-63.3-44173.3175.70000110.7G114 I115 W121 L122G114-V118 PolarHBondContact O-N 3.35Å; G114-V118 VanDerWaalsContact O-N 3.11Å; I115-V118 PolarHBondContact O-N 3.02Å; V118-W121 PolarHBondContact O-N 3.45Å; V118-L122 WeakPolarHBondContact O-CB 3.38Å; V118-L122 PolarHBondContact O-N 3.04Å
119N67.9Low71Confident82 Ų8285 Ų8544%0.43944%0.439SS..Hα-helixtrans-63.9-41.3179-169.243000112.9I115 R116 L122 S123 A192I115-N119 PolarHBondContact O-N 3.08Å; I115-N119 VanDerWaalsContact O-N 3.11Å; R116-N119 PolarHBondContact O-N 2.91Å; N119-L122 PolarHBondContact O-N 3.46Å; N119-S123 PolarHBondContact O-N 3.44Å; N119-S123 VanDerWaalsContact O-N 3.11Å; N119-A192 HydrophobicContact CB-CB 4.3Å; N119-A192 VanDerWaalsContact OD1-CB 3.28Å; N119-A192 WeakPolarHBondContact OD1-CB 3.49Å
120S67.8Low70.3Confident79 Ų7987.5 Ų87.555%0.55245%0.449SS*.Hα-helixtrans-68.9-37.8177.6720000112.6R116 K117 S123 G124R116-S120 PolarHBondContact O-N 3.38Å; R116-S120 VanDerWaalsContact O-N 3.11Å; K117-S120 PolarHBondContact O-OG 3.43Å; S120-S123 WeakPolarHBondContact O-CB 3.28Å; S120-S123 PolarHBondContact O-N 2.93Å; S120-G124 PolarHBondContact O-N 2.69Å
121W74Confident69.4Low175 Ų17588.7 Ų88.766%0.66345%0.453SS*.Hα-helixtrans-60.9-46.2173178.984000111.8K117 V118 S123 G124 V125K117-W121 WeakPolarHBondContact O-CB 3.43Å; K117-W121 PolarHBondContact O-N 2.69Å; K117-W121 VanDerWaalsContact O-N 3.11Å; V118-W121 PolarHBondContact O-N 3.45Å; W121-S123 VanDerWaalsContact C-N 3.27Å; W121-S123 PolarHBondContact O-N 3.13Å; W121-G124 PolarHBondContact O-N 3.36Å; W121-V125 HydrophobicContact CD2-CG2 4.28Å; W121-V125 HydrophobicContact CE3-CG2 4.4Å; W121-V125 HydrophobicContact CH2-CG2 4.08Å; W121-V125 HydrophobicContact CZ2-CG2 3.93Å; W121-V125 HydrophobicContact CZ3-CG2 4.31Å; W121-V125 PolarHBondContact O-N 3.29Å
122L66.2Low68.5Low89 Ų8989.6 Ų89.647%0.46645%0.454SS..Hα-helixtrans-59.7-38.1177.7-156.978.1000111.9V118 N119 G124 V125 M126V118-L122 WeakPolarHBondContact O-CB 3.38Å; V118-L122 PolarHBondContact O-N 3.04Å; N119-L122 PolarHBondContact O-N 3.46Å; L122-G124 VanDerWaalsContact C-N 3.34Å; L122-G124 PolarHBondContact O-N 3.36Å; L122-V125 PolarHBondContact O-N 2.81Å; L122-M126 VanDerWaalsContact O-CG 3.31Å; L122-M126 WeakPolarHBondContact O-CG 3.48Å; L122-M126 PolarHBondContact O-N 3.37Å; L122-M126 VanDerWaalsContact O-N 3.13Å
123S63.9Low67.7Low51 Ų5192.3 Ų92.336%0.35747%0.468SS..Hα-helixtrans-62.4-39.4175-161.60000112.5N119 S120 W121 M126 I127N119-S123 PolarHBondContact O-N 3.44Å; N119-S123 VanDerWaalsContact O-N 3.11Å; S120-S123 WeakPolarHBondContact O-CB 3.28Å; S120-S123 PolarHBondContact O-N 2.93Å; W121-S123 VanDerWaalsContact C-N 3.27Å; W121-S123 PolarHBondContact O-N 3.13Å; S123-M126 PolarHBondContact O-N 2.91Å; S123-I127 PolarHBondContact O-N 2.79Å
124G67.1Low66.8Low41 Ų4190.9 Ų90.942%0.42347%0.468SS..Hα-helixtrans-65.4-38.1176.500000113.7S120 W121 L122S120-G124 PolarHBondContact O-N 2.69Å; W121-G124 PolarHBondContact O-N 3.36Å; L122-G124 VanDerWaalsContact C-N 3.34Å; L122-G124 PolarHBondContact O-N 3.36Å
125V66.2Low66Low75 Ų7595.6 Ų95.646%0.45548%0.478SS..Hα-helixtrans-65-42.6174.5178.80000110.9W121 L122 I127 R128W121-V125 HydrophobicContact CD2-CG2 4.28Å; W121-V125 HydrophobicContact CE3-CG2 4.4Å; W121-V125 HydrophobicContact CH2-CG2 4.08Å; W121-V125 HydrophobicContact CZ2-CG2 3.93Å; W121-V125 HydrophobicContact CZ3-CG2 4.31Å; W121-V125 PolarHBondContact O-N 3.29Å; L122-V125 PolarHBondContact O-N 2.81Å; V125-I127 VanDerWaalsContact C-N 3.26Å; V125-I127 PolarHBondContact O-N 2.82Å; V125-R128 PolarHBondContact O-N 3.21Å
126M60.4Low65.6Low37 Ų3797 Ų9718%0.18249%0.489CS..Hα-helixtrans-63.4-25.7-178.2-71.3-70.3-10000114.1L122 S123 C129 C185 K188L122-M126 VanDerWaalsContact O-CG 3.31Å; L122-M126 WeakPolarHBondContact O-CG 3.48Å; L122-M126 PolarHBondContact O-N 3.37Å; L122-M126 VanDerWaalsContact O-N 3.13Å; S123-M126 PolarHBondContact O-N 2.91Å; M126-C129 WeakPolarHBondContact O-CB 3.09Å; M126-C129 PolarHBondContact O-N 3.39Å; M126-C185 WeakPolarHBondContact CE-O 3.2Å; M126-K188 HydrophobicContact CE-CB 3.61Å; M126-K188 HydrophobicContact CE-CD 4.26Å; M126-K188 HydrophobicContact CE-CG 3.87Å
127I62.4Low65.5Low104 Ų10493.7 Ų93.753%0.53348%0.478SS..Hα-helixtrans-66.3-39.8177.8-67.8166.1000111.1S123 V125 C129 N130 D131S123-I127 PolarHBondContact O-N 2.79Å; V125-I127 VanDerWaalsContact C-N 3.26Å; V125-I127 PolarHBondContact O-N 2.82Å; I127-C129 VanDerWaalsContact C-N 3.28Å; I127-C129 PolarHBondContact O-N 2.77Å; I127-N130 WeakPolarHBondContact O-CB 3.34Å; I127-N130 PolarHBondContact O-N 3.35Å; I127-N130 VanDerWaalsContact O-N 3.16Å; I127-D131 PolarHBondContact O-N 3.26Å
128R61.9Low65.3Low171 Ų17191.2 Ų91.265%0.64547%0.468SS*.Hα-helixtrans-65.7-31.3176.3-61.5-170.5-174.2-176.30.3112.8V125 N130 D131 E132V125-R128 PolarHBondContact O-N 3.21Å; R128-N130 PolarHBondContact O-N 3.41Å; R128-D131 PolarHBondContact O-N 2.86Å; R128-E132 PolarHBondContact O-N 2.97Å; R128-E132 VanDerWaalsContact O-N 3.11Å
129C62.6Low65.4Low28 Ų2896 Ų9619%0.18948%0.476CS..Hα-helixtrans-56.3-31174.9-138.40000112M126 I127 I133 C185M126-C129 WeakPolarHBondContact O-CB 3.09Å; M126-C129 PolarHBondContact O-N 3.39Å; I127-C129 VanDerWaalsContact C-N 3.28Å; I127-C129 PolarHBondContact O-N 2.77Å; C129-I133 WeakPolarHBondContact O-CB 3.22Å; C129-C185 HydrophobicContact CB-CB 3.85Å; C129-C185 WeakPolarHBondContact CB-SG 3.43Å; C129-C185 PolarHBondContact O-SG 2.89Å; C129-C185 WeakPolarHBondContact SG-CA 3.3Å; C129-C185 WeakPolarHBondContact SG-CB 3.21Å; C129-C185 CovalentContact SG-SG 2.04Å; C129-C185 PolarHBondContact SG-SG 2.74Å
130N63.8Low66.1Low94 Ų9494.1 Ų94.150%0.50347%0.469SS..Hα-helixtrans-82.3-52.4179.3-161.776.6000111.9I127 R128 M134I127-N130 WeakPolarHBondContact O-CB 3.34Å; I127-N130 PolarHBondContact O-N 3.35Å; I127-N130 VanDerWaalsContact O-N 3.16Å; R128-N130 PolarHBondContact O-N 3.41Å; N130-M134 WeakPolarHBondContact O-CG 3.17Å
131D63.4Low66.9Low90 Ų9091.1 Ų91.148%0.48145%0.447SS..Hα-helixtrans-84.3-23-166.3-76.17.7000115I127 R128 K135I127-D131 PolarHBondContact O-N 3.26Å; R128-D131 PolarHBondContact O-N 2.86Å; D131-K135 WeakPolarHBondContact O-CD 3.44Å; D131-K135 VanDerWaalsContact O-CE 3.24Å; D131-K135 WeakPolarHBondContact O-CE 3.48Å; D131-K135 PolarHBondContact O-NZ 2.87Å
132E60.4Low67.4Low129 Ų12985.8 Ų85.860%0.60343%0.432SS*.THydrogen-bonded Turntrans-99.2-33.1179.7-67.3-178.517900112.6R128 P136R128-E132 PolarHBondContact O-N 2.97Å; R128-E132 VanDerWaalsContact O-N 3.11Å; E132-P136 WeakPolarHBondContact O-CD 3.4Å
133I59.1Low68.3Low60 Ų6085.2 Ų85.231%0.30843%0.432SS..THydrogen-bonded Turntrans-88.1-26.5-171.7-49.4-175.8000113.1C129 P136 L181C129-I133 WeakPolarHBondContact O-CB 3.22Å; I133-P136 VanDerWaalsContact O-CD 3.27Å; I133-P136 WeakPolarHBondContact O-CD 3.35Å; I133-P136 VanDerWaalsContact O-CG 3.29Å; I133-P136 WeakPolarHBondContact O-CG 3.42Å; I133-L181 HydrophobicContact CG2-CB 4.13Å; I133-L181 HydrophobicContact CG2-CD1 3.88Å
134M59.8Low69.5Low111 Ų11185.1 Ų85.155%0.54743%0.425SS..Hα-helixtrans-71.3-31.1175.6-70.3-167.172.200113.5N130 Y137N130-M134 WeakPolarHBondContact O-CG 3.17Å; M134-Y137 PolarHBondContact O-N 3.35Å
135K62.3Low70.4Confident140 Ų14088.1 Ų88.161%0.60942%0.424SS*.Hα-helixtrans-60.6-46.6-178.4-71.1172.1-177.7137.90114.7D131 Y137 H138 R139D131-K135 WeakPolarHBondContact O-CD 3.44Å; D131-K135 VanDerWaalsContact O-CE 3.24Å; D131-K135 WeakPolarHBondContact O-CE 3.48Å; D131-K135 PolarHBondContact O-NZ 2.87Å; K135-Y137 VanDerWaalsContact C-N 3.33Å; K135-Y137 PolarHBondContact O-N 3.41Å; K135-H138 PolarHBondContact O-N 2.92Å; K135-R139 PolarHBondContact O-N 3.16Å; K135-R139 VanDerWaalsContact O-N 3.14Å
136P67.2Low71.4Confident75 Ų7591.3 Ų91.349%0.48743%0.427SS..Hα-helixtrans-63.7-31.2179.921.3-33.3000114.3E132 I133 R139 C140E132-P136 WeakPolarHBondContact O-CD 3.4Å; I133-P136 VanDerWaalsContact O-CD 3.27Å; I133-P136 WeakPolarHBondContact O-CD 3.35Å; I133-P136 VanDerWaalsContact O-CG 3.29Å; I133-P136 WeakPolarHBondContact O-CG 3.42Å; P136-R139 PolarHBondContact O-N 3.37Å; P136-C140 WeakPolarHBondContact O-CB 3.3Å; P136-C140 PolarHBondContact O-N 2.85Å
137Y69.5Low72.6Confident82 Ų8291.5 Ų91.532%0.32244%0.435SS..Hα-helixtrans-60-54.2176.2168.7-104.5000111.7M134 K135 R139 C140 V141 C175 L179M134-Y137 PolarHBondContact O-N 3.35Å; K135-Y137 VanDerWaalsContact C-N 3.33Å; K135-Y137 PolarHBondContact O-N 3.41Å; Y137-R139 PolarHBondContact O-N 2.87Å; Y137-C140 WeakPolarHBondContact O-CB 3.47Å; Y137-C140 PolarHBondContact O-N 3.07Å; Y137-V141 HydrophobicContact CD2-CG2 4.48Å; Y137-V141 HydrophobicContact CE2-CG2 4.03Å; Y137-V141 PolarHBondContact O-N 2.71Å; Y137-V141 VanDerWaalsContact O-N 3.12Å; Y137-C175 HydrophobicContact CD2-CB 4.25Å; Y137-C175 HydrophobicContact CE2-CB 4.36Å; Y137-L179 HydrophobicContact CE2-CD1 4.17Å
138H72.1Confident73.7Confident107 Ų10786.7 Ų86.750%0.49541%0.411SS..Hα-helixtrans-61.2-45178-73.4-83000111.8K135 C140 V141 D142K135-H138 PolarHBondContact O-N 2.92Å; H138-C140 VanDerWaalsContact C-N 3.28Å; H138-C140 PolarHBondContact O-N 2.77Å; H138-V141 PolarHBondContact O-N 2.95Å; H138-D142 PolarHBondContact O-N 2.74Å
139R76.5Confident74.8Confident196 Ų19685.4 Ų85.474%0.7441%0.406SS*.Hα-helixtrans-60.3-36.4177.6-178.6174.4-80.5-174.4-5.8112.5K135 P136 Y137 V143K135-R139 PolarHBondContact O-N 3.16Å; K135-R139 VanDerWaalsContact O-N 3.14Å; P136-R139 PolarHBondContact O-N 3.37Å; Y137-R139 PolarHBondContact O-N 2.87Å; R139-V143 WeakPolarHBondContact O-CG2 3.33Å; R139-V143 PolarHBondContact O-N 2.92Å
140C82Confident75.9Confident43 Ų4391 Ų9129%0.29143%0.427SS..Hα-helixtrans-64.8-51.9175.6179.50000111.5P136 Y137 H138 D142 V143 F144 C175P136-C140 WeakPolarHBondContact O-CB 3.3Å; P136-C140 PolarHBondContact O-N 2.85Å; Y137-C140 WeakPolarHBondContact O-CB 3.47Å; Y137-C140 PolarHBondContact O-N 3.07Å; H138-C140 VanDerWaalsContact C-N 3.28Å; H138-C140 PolarHBondContact O-N 2.77Å; C140-D142 VanDerWaalsContact C-N 3.27Å; C140-D142 PolarHBondContact O-N 3.21Å; C140-V143 PolarHBondContact O-N 3.11Å; C140-V143 VanDerWaalsContact O-N 3.08Å; C140-F144 WeakPolarHBondContact O-CD2 3.35Å; C140-C175 HydrophobicContact CB-CB 3.76Å; C140-C175 WeakPolarHBondContact CB-SG 3.42Å; C140-C175 VanDerWaalsContact SG-CA 3.55Å; C140-C175 WeakPolarHBondContact SG-CB 3.38Å; C140-C175 CovalentContact SG-SG 2.04Å; C140-C175 PolarHBondContact SG-SG 2.77Å
141V85Confident76.8Confident16 Ų1688 Ų8810%0.09741%0.414CS..Hα-helixtrans-58.8-40.2179.6174.40000111.2Y137 H138 V143 F144 R145 K172 C175Y137-V141 HydrophobicContact CD2-CG2 4.48Å; Y137-V141 HydrophobicContact CE2-CG2 4.03Å; Y137-V141 PolarHBondContact O-N 2.71Å; Y137-V141 VanDerWaalsContact O-N 3.12Å; H138-V141 PolarHBondContact O-N 2.95Å; V141-V143 VanDerWaalsContact C-N 3.3Å; V141-V143 PolarHBondContact O-N 2.91Å; V141-F144 PolarHBondContact O-N 3.39Å; V141-R145 WeakPolarHBondContact O-CB 3.5Å; V141-R145 PolarHBondContact O-N 2.77Å; V141-R145 VanDerWaalsContact O-N 3.08Å; V141-K172 HydrophobicContact CG1-CB 4.47Å; V141-C175 HydrophobicContact CG2-CB 3.83Å; V141-C175 PolarHBondContact N-SG 2.8Å; V141-C175 VanDerWaalsContact N-SG 3.39Å
142D84.4Confident77.8Confident62 Ų6287.1 Ų87.133%0.33241%0.408SS..Hα-helixtrans-73.5-13.6179.4-75.6-29000114.7H138 C140 R145 R146H138-D142 PolarHBondContact O-N 2.74Å; C140-D142 VanDerWaalsContact C-N 3.27Å; C140-D142 PolarHBondContact O-N 3.21Å; D142-R145 IonicContact OD1-CZ 3.81Å; D142-R145 IonicContact OD1-NH1 2.72Å; D142-R145 PolarHBondContact OD1-NH1 3.41Å; D142-R146 WeakPolarHBondContact O-CB 3.41Å; D142-R146 WeakPolarHBondContact O-CG 3.47Å; D142-R146 PolarHBondContact O-N 3.22Å; D142-R146 PolarHBondContact O-NE 3.23Å; D142-R146 PolarHBondContact O-NH2 3.13Å
143V85.4Confident79Confident77 Ų7786.6 Ų86.647%0.46741%0.406SS..Hα-helixtrans-72.9-54.1169.7167.50000109.8R139 C140 V141 R145 R146 A147R139-V143 WeakPolarHBondContact O-CG2 3.33Å; R139-V143 PolarHBondContact O-N 2.92Å; C140-V143 PolarHBondContact O-N 3.11Å; C140-V143 VanDerWaalsContact O-N 3.08Å; V141-V143 VanDerWaalsContact C-N 3.3Å; V141-V143 PolarHBondContact O-N 2.91Å; V143-R145 VanDerWaalsContact C-N 3.34Å; V143-R145 PolarHBondContact O-N 2.94Å; V143-R146 PolarHBondContact O-N 3.16Å; V143-R146 VanDerWaalsContact O-N 3.13Å; V143-A147 PolarHBondContact O-N 2.8Å
144F87.4Confident80Confident49 Ų4987.6 Ų87.622%0.21542%0.418CS..Hα-helixtrans-62.3-39.6179.8-65.4-70000112.5C140 V141 R146 A147 G148 L171 K172C140-F144 WeakPolarHBondContact O-CD2 3.35Å; V141-F144 PolarHBondContact O-N 3.39Å; F144-R146 VanDerWaalsContact C-N 3.32Å; F144-R146 PolarHBondContact O-N 3.46Å; F144-A147 PolarHBondContact O-N 2.79Å; F144-G148 PolarHBondContact O-N 2.8Å; F144-L171 HydrophobicContact CD1-CB 3.41Å; F144-L171 VanDerWaalsContact CD1-CB 3.41Å; F144-L171 HydrophobicContact CD1-CD1 4.31Å; F144-L171 HydrophobicContact CE1-CB 3.47Å; F144-L171 VanDerWaalsContact CE1-CB 3.47Å; F144-L171 HydrophobicContact CE1-CD1 4.1Å; F144-L171 HydrophobicContact CE1-CG 4.44Å; F144-L171 HydrophobicContact CG-CB 4.11Å; F144-L171 HydrophobicContact CZ-CB 4.21Å; F144-K172 HydrophobicContact CB-CB 3.9Å; F144-K172 HydrophobicContact CD2-CB 4.39Å; F144-K172 HydrophobicContact CG-CB 4.44Å
145R87.1Confident81.1Confident105 Ų10583.4 Ų83.440%0.39640%0.399SS..Hα-helixtrans-60.8-35.7174.3-175.6-179-74.6142-10.9113.4V141 D142 V143 R149V141-R145 WeakPolarHBondContact O-CB 3.5Å; V141-R145 PolarHBondContact O-N 2.77Å; V141-R145 VanDerWaalsContact O-N 3.08Å; D142-R145 IonicContact OD1-CZ 3.81Å; D142-R145 IonicContact OD1-NH1 2.72Å; D142-R145 PolarHBondContact OD1-NH1 3.41Å; V143-R145 VanDerWaalsContact C-N 3.34Å; V143-R145 PolarHBondContact O-N 2.94Å; R145-R149 PolarHBondContact O-N 3.03Å
146R86.9Confident81.9Confident141 Ų14186.6 Ų86.653%0.53241%0.407SS..Hα-helixtrans-76.6-35174.6-83176.5-71.5168.1-0.5112.5D142 V143 F144 K150D142-R146 WeakPolarHBondContact O-CB 3.41Å; D142-R146 WeakPolarHBondContact O-CG 3.47Å; D142-R146 PolarHBondContact O-N 3.22Å; D142-R146 PolarHBondContact O-NE 3.23Å; D142-R146 PolarHBondContact O-NH2 3.13Å; V143-R146 PolarHBondContact O-N 3.16Å; V143-R146 VanDerWaalsContact O-N 3.13Å; F144-R146 VanDerWaalsContact C-N 3.32Å; F144-R146 PolarHBondContact O-N 3.46Å; R146-K150 PolarHBondContact O-N 3.24Å
147A84.6Confident82.5Confident42 Ų4289.1 Ų89.135%0.34741%0.411SS..Hα-helixtrans-65.4-44176.700000111.9V143 F144 K150 C151 V168V143-A147 PolarHBondContact O-N 2.8Å; F144-A147 PolarHBondContact O-N 2.79Å; A147-K150 PolarHBondContact O-N 3Å; A147-C151 PolarHBondContact O-N 3.48Å; A147-C151 VanDerWaalsContact O-N 3.1Å; A147-V168 HydrophobicContact CB-CG1 3.51Å
148G85.9Confident82.8Confident2 Ų289 Ų892%0.02142%0.415CS..Hα-helixtrans-58.5-48.3173.700000112.6F144 K150 C151 D152F144-G148 PolarHBondContact O-N 2.8Å; G148-K150 PolarHBondContact O-N 3.22Å; G148-C151 VanDerWaalsContact O-CB 3.32Å; G148-C151 WeakPolarHBondContact O-CB 3.22Å; G148-C151 PolarHBondContact O-N 2.82Å; G148-C151 VanDerWaalsContact O-N 3.12Å; G148-D152 PolarHBondContact O-N 3.29Å
149R86Confident82.8Confident144 Ų14488.6 Ų88.654%0.54342%0.422SS..Hα-helixtrans-61.6-44.4178.9-167.1-171.5-58.4161.41.4113.3R145 C151 D152 E153R145-R149 PolarHBondContact O-N 3.03Å; R149-C151 PolarHBondContact O-N 2.81Å; R149-D152 PolarHBondContact O-N 3.11Å; R149-E153 WeakPolarHBondContact CD-OE1 3.39Å; R149-E153 WeakPolarHBondContact CG-OE1 3.31Å; R149-E153 WeakPolarHBondContact O-CG 3.39Å; R149-E153 PolarHBondContact O-N 2.91Å
150K85.2Confident82.9Confident145 Ų14585 Ų8563%0.6342%0.422SS*.Hα-helixtrans-62.3-31.3175.4-81.5-164168.2-160.60112.9R146 A147 G148 S154R146-K150 PolarHBondContact O-N 3.24Å; A147-K150 PolarHBondContact O-N 3Å; G148-K150 PolarHBondContact O-N 3.22Å; K150-S154 WeakPolarHBondContact O-CB 3.46Å; K150-S154 PolarHBondContact O-N 2.82Å; K150-S154 VanDerWaalsContact O-N 3.15Å; K150-S154 PolarHBondContact O-OG 2.81Å
151C83.4Confident82.7Confident33 Ų3386 Ų8622%0.22342%0.424CS..Hα-helixtrans-66.9-49.9173.3-178.60000110.6A147 G148 R149 E153 S154 V155 C165A147-C151 PolarHBondContact O-N 3.48Å; A147-C151 VanDerWaalsContact O-N 3.1Å; G148-C151 VanDerWaalsContact O-CB 3.32Å; G148-C151 WeakPolarHBondContact O-CB 3.22Å; G148-C151 PolarHBondContact O-N 2.82Å; G148-C151 VanDerWaalsContact O-N 3.12Å; R149-C151 PolarHBondContact O-N 2.81Å; C151-E153 VanDerWaalsContact C-N 3.34Å; C151-E153 PolarHBondContact O-N 3.46Å; C151-S154 WeakPolarHBondContact O-CA 3.47Å; C151-S154 WeakPolarHBondContact O-CB 3.41Å; C151-S154 PolarHBondContact O-N 3.03Å; C151-V155 PolarHBondContact O-N 3.39Å; C151-V155 VanDerWaalsContact O-N 3.12Å; C151-C165 HydrophobicContact CB-CB 3.5Å; C151-C165 VanDerWaalsContact CB-CB 3.5Å; C151-C165 WeakPolarHBondContact CB-SG 3.47Å; C151-C165 WeakPolarHBondContact SG-CA 3.41Å; C151-C165 WeakPolarHBondContact SG-CB 3.31Å; C151-C165 CovalentContact SG-SG 2.04Å; C151-C165 PolarHBondContact SG-SG 3.02Å
152D84.5Confident82.4Confident70 Ų7087.2 Ų87.237%0.37443%0.431SS..Hα-helixtrans-57.8-44.3176.7-74.7-32.1000111.9G148 R149 S154 V155 W156 C165G148-D152 PolarHBondContact O-N 3.29Å; R149-D152 PolarHBondContact O-N 3.11Å; D152-S154 PolarHBondContact O-N 3.05Å; D152-V155 PolarHBondContact O-N 3.36Å; D152-W156 PolarHBondContact O-N 2.79Å; D152-C165 PolarHBondContact N-SG 3.49Å; D152-C165 VanDerWaalsContact N-SG 3.44Å; D152-C165 WeakPolarHBondContact OD1-CB 3.34Å
153E83.9Confident82.2Confident118 Ų11889 Ų8955%0.55145%0.445SS*.Hα-helixtrans-58-32.9173.7-72.1163.8-172.800112.6R149 C151R149-E153 WeakPolarHBondContact CD-OE1 3.39Å; R149-E153 WeakPolarHBondContact CG-OE1 3.31Å; R149-E153 WeakPolarHBondContact O-CG 3.39Å; R149-E153 PolarHBondContact O-N 2.91Å; C151-E153 VanDerWaalsContact C-N 3.34Å; C151-E153 PolarHBondContact O-N 3.46Å
154S81.6Confident82.1Confident81 Ų8192.4 Ų92.457%0.56645%0.453SS*.Hα-helixtrans-83.9-23.7-176.9-58.20000114K150 C151 D152K150-S154 WeakPolarHBondContact O-CB 3.46Å; K150-S154 PolarHBondContact O-N 2.82Å; K150-S154 VanDerWaalsContact O-N 3.15Å; K150-S154 PolarHBondContact O-OG 2.81Å; C151-S154 WeakPolarHBondContact O-CA 3.47Å; C151-S154 WeakPolarHBondContact O-CB 3.41Å; C151-S154 PolarHBondContact O-N 3.03Å; D152-S154 PolarHBondContact O-N 3.05Å
155V81.7Confident81.9Confident23 Ų2390.1 Ų90.114%0.13944%0.443CS..SBendtrans-109.219.1-176.1-54.60000113.8C151 D152 F157 L158 L161 T162C151-V155 PolarHBondContact O-N 3.39Å; C151-V155 VanDerWaalsContact O-N 3.12Å; D152-V155 PolarHBondContact O-N 3.36Å; V155-F157 PolarHBondContact O-N 2.91Å; V155-L158 CarbonylContact O-C 3.51Å; V155-L158 PolarHBondContact O-N 3.06Å; V155-L161 HydrophobicContact CB-CB 3.88Å; V155-L161 HydrophobicContact CB-CD1 4.33Å; V155-L161 HydrophobicContact CG1-CB 3.98Å; V155-L161 HydrophobicContact CG1-CD1 4.06Å; V155-L161 HydrophobicContact CG2-CB 4.01Å; V155-T162 HydrophobicContact CG2-CG2 4.07Å
156W78.9Confident81.8Confident207 Ų20793.8 Ų93.878%0.78446%0.457SS*.THydrogen-bonded Turntrans-50.5-28-174.171.5-92.1000115.5D152D152-W156 PolarHBondContact O-N 2.79Å
157F80.2Confident81.5Confident128 Ų12889 Ų8956%0.56145%0.452SS*.THydrogen-bonded Turntrans-91.3-4.8-178.964.1-79.9000114.1V155V155-F157 PolarHBondContact O-N 2.91Å
158L75.2Confident81.3Confident80 Ų8089.4 Ų89.442%0.41945%0.45SS..  trans-132.182-179.6-77170.3000110.7V155 V160 L161V155-L158 CarbonylContact O-C 3.51Å; V155-L158 PolarHBondContact O-N 3.06Å; L158-V160 PolarHBondContact O-N 3.5Å; L158-L161 HydrophobicContact CB-CD1 3.87Å; L158-L161 HydrophobicContact CB-CG 4.05Å; L158-L161 HydrophobicContact CD1-CD1 3.71Å; L158-L161 HydrophobicContact CG-CD1 4.45Å; L158-L161 PolarHBondContact O-N 3.29Å
159P73.8Confident81.2Confident98 Ų9892.1 Ų92.164%0.63646%0.462SS*.G310 helixtrans-53.3-31.5-173.4-29.536000115.3L161 T162P159-L161 VanDerWaalsContact C-N 3.25Å; P159-L161 PolarHBondContact O-N 3.48Å; P159-T162 WeakPolarHBondContact O-CG2 3.39Å; P159-T162 PolarHBondContact O-N 2.9Å; P159-T162 PolarHBondContact O-OG1 3.26Å
160V77.5Confident81Confident121 Ų12187.5 Ų87.573%0.73345%0.454SS*.G310 helixtrans-59.9-32.4177.6178.70000112.5L158 T162L158-V160 PolarHBondContact O-N 3.5Å; V160-T162 VanDerWaalsContact C-N 3.31Å; V160-T162 PolarHBondContact O-N 3.32Å
161L78.6Confident81Confident63 Ų6384.6 Ų84.633%0.3345%0.446SS..G310 helixtrans-75.4-17-176.1-65.1-178.1000113.8V155 L158 P159 V163 F164V155-L161 HydrophobicContact CB-CB 3.88Å; V155-L161 HydrophobicContact CB-CD1 4.33Å; V155-L161 HydrophobicContact CG1-CB 3.98Å; V155-L161 HydrophobicContact CG1-CD1 4.06Å; V155-L161 HydrophobicContact CG2-CB 4.01Å; L158-L161 HydrophobicContact CB-CD1 3.87Å; L158-L161 HydrophobicContact CB-CG 4.05Å; L158-L161 HydrophobicContact CD1-CD1 3.71Å; L158-L161 HydrophobicContact CG-CD1 4.45Å; L158-L161 PolarHBondContact O-N 3.29Å; P159-L161 VanDerWaalsContact C-N 3.25Å; P159-L161 PolarHBondContact O-N 3.48Å; L161-V163 PolarHBondContact O-N 2.83Å; L161-V163 VanDerWaalsContact O-N 3.08Å; L161-F164 HydrophobicContact CD2-CD2 4.06Å; L161-F164 HydrophobicContact CD2-CE2 4.07Å; L161-F164 WeakPolarHBondContact O-CB 3.33Å; L161-F164 PolarHBondContact O-N 3.02Å
162T77.7Confident81Confident42 Ų4285.1 Ų85.126%0.25844%0.444SS..Hα-helixtrans-58.8-22.8178.362.30000113.3V155 P159 V160 F164 C165 R166V155-T162 HydrophobicContact CG2-CG2 4.07Å; P159-T162 WeakPolarHBondContact O-CG2 3.39Å; P159-T162 PolarHBondContact O-N 2.9Å; P159-T162 PolarHBondContact O-OG1 3.26Å; V160-T162 VanDerWaalsContact C-N 3.31Å; V160-T162 PolarHBondContact O-N 3.32Å; T162-F164 VanDerWaalsContact C-N 3.31Å; T162-F164 PolarHBondContact O-N 2.86Å; T162-C165 WeakPolarHBondContact O-CB 3.44Å; T162-C165 PolarHBondContact O-N 2.73Å; T162-R166 PolarHBondContact O-N 3.39Å; T162-R166 VanDerWaalsContact O-N 3.07Å
163V80.6Confident80.9Confident101 Ų10189.4 Ų89.461%0.61246%0.456SS*.Hα-helixtrans-60-39.9173.41780000111.5L161 C165 R166 G167L161-V163 PolarHBondContact O-N 2.83Å; L161-V163 VanDerWaalsContact O-N 3.08Å; V163-C165 VanDerWaalsContact C-N 3.35Å; V163-R166 PolarHBondContact O-N 3.01Å; V163-G167 PolarHBondContact O-N 2.83Å
164F82.5Confident80.8Confident147 Ų14788.5 Ų88.565%0.64545%0.454SS*.Hα-helixtrans-68.1-36176.3-64-77.1000111.6L161 T162 R166 G167 V168L161-F164 HydrophobicContact CD2-CD2 4.06Å; L161-F164 HydrophobicContact CD2-CE2 4.07Å; L161-F164 WeakPolarHBondContact O-CB 3.33Å; L161-F164 PolarHBondContact O-N 3.02Å; T162-F164 VanDerWaalsContact C-N 3.31Å; T162-F164 PolarHBondContact O-N 2.86Å; F164-R166 PolarHBondContact O-N 2.83Å; F164-G167 WeakPolarHBondContact O-CA 3.36Å; F164-G167 PolarHBondContact O-N 3.49Å; F164-V168 PolarHBondContact O-N 3.39Å
165C84.9Confident80.8Confident1 Ų185.1 Ų85.11%0.00743%0.43CS..Hα-helixtrans-65.3-37177.2-55.20000112.7C151 D152 T162 V163 G167 V168 E169C151-C165 HydrophobicContact CB-CB 3.5Å; C151-C165 VanDerWaalsContact CB-CB 3.5Å; C151-C165 WeakPolarHBondContact CB-SG 3.47Å; C151-C165 WeakPolarHBondContact SG-CA 3.41Å; C151-C165 WeakPolarHBondContact SG-CB 3.31Å; C151-C165 CovalentContact SG-SG 2.04Å; C151-C165 PolarHBondContact SG-SG 3.02Å; D152-C165 PolarHBondContact N-SG 3.49Å; D152-C165 VanDerWaalsContact N-SG 3.44Å; D152-C165 WeakPolarHBondContact OD1-CB 3.34Å; T162-C165 WeakPolarHBondContact O-CB 3.44Å; T162-C165 PolarHBondContact O-N 2.73Å; V163-C165 VanDerWaalsContact C-N 3.35Å; C165-G167 VanDerWaalsContact C-N 3.31Å; C165-G167 PolarHBondContact O-N 3.32Å; C165-V168 WeakPolarHBondContact O-CB 3.32Å; C165-V168 PolarHBondContact O-N 3.02Å; C165-E169 PolarHBondContact O-N 2.86Å; C165-E169 VanDerWaalsContact O-N 3.17Å
166R83.8Confident80.6Confident183 Ų18387.4 Ų87.469%0.69144%0.442SS*.Hα-helixtrans-63.1-36.1168.5-65.1-178.8-173.9-169.92.8112.4T162 V163 F164 V168 E169 A170T162-R166 PolarHBondContact O-N 3.39Å; T162-R166 VanDerWaalsContact O-N 3.07Å; V163-R166 PolarHBondContact O-N 3.01Å; F164-R166 PolarHBondContact O-N 2.83Å; R166-V168 VanDerWaalsContact C-N 3.33Å; R166-V168 PolarHBondContact O-N 3.4Å; R166-E169 PolarHBondContact O-N 3.28Å; R166-A170 PolarHBondContact O-N 2.99Å
167G81.2Confident80.1Confident41 Ų4183.8 Ų83.842%0.42344%0.436SS..Hα-helixtrans-59.4-40.817200000112.9V163 F164 C165 A170V163-G167 PolarHBondContact O-N 2.83Å; F164-G167 WeakPolarHBondContact O-CA 3.36Å; F164-G167 PolarHBondContact O-N 3.49Å; C165-G167 VanDerWaalsContact C-N 3.31Å; C165-G167 PolarHBondContact O-N 3.32Å; G167-A170 PolarHBondContact O-N 2.97Å
168V80.9Confident79.3Confident50 Ų5079.1 Ų79.130%0.30342%0.424SS..Hα-helixtrans-64.4-40.1174.71780000111.8A147 F164 C165 R166 A170A147-V168 HydrophobicContact CB-CG1 3.51Å; F164-V168 PolarHBondContact O-N 3.39Å; C165-V168 WeakPolarHBondContact O-CB 3.32Å; C165-V168 PolarHBondContact O-N 3.02Å; R166-V168 VanDerWaalsContact C-N 3.33Å; R166-V168 PolarHBondContact O-N 3.4Å; V168-A170 VanDerWaalsContact C-N 3.35Å
169E83.2Confident78.8Confident59 Ų5979.3 Ų79.328%0.27643%0.425SS..Hα-helixtrans-69.5-32.2176.9-145.9-130.3152.900112.2C165 R166 L171 K172C165-E169 PolarHBondContact O-N 2.86Å; C165-E169 VanDerWaalsContact O-N 3.17Å; R166-E169 PolarHBondContact O-N 3.28Å; E169-L171 PolarHBondContact O-N 3.16Å; E169-K172 HydrophobicContact CG-CD 4.45Å; E169-K172 WeakPolarHBondContact O-CB 3.29Å; E169-K172 WeakPolarHBondContact O-CD 3.17Å; E169-K172 WeakPolarHBondContact O-CG 3.42Å; E169-K172 PolarHBondContact O-N 2.88Å; E169-K172 IonicContact OE1-NZ 2.68Å; E169-K172 PolarHBondContact OE1-NZ 2.82Å; E169-K172 IonicContact OE2-NZ 2.85Å; E169-K172 PolarHBondContact OE2-NZ 3.23Å
170A82.4Confident78.2Confident46 Ų4680.8 Ų80.838%0.3843%0.427SS..Hα-helixtrans-62-25.7179.700000113.7R166 G167 V168 K172 Y173R166-A170 PolarHBondContact O-N 2.99Å; G167-A170 PolarHBondContact O-N 2.97Å; V168-A170 VanDerWaalsContact C-N 3.35Å; A170-K172 PolarHBondContact O-N 3.45Å; A170-Y173 WeakPolarHBondContact O-CD2 3.26Å; A170-Y173 PolarHBondContact O-N 2.81Å
171L83.6Confident77.5Confident85 Ų8579.1 Ų79.145%0.44541%0.413SS..G310 helixtrans-59.8-15.6175.8-65.2176.5000113.8F144 E169 Y173 I174F144-L171 HydrophobicContact CD1-CB 3.41Å; F144-L171 VanDerWaalsContact CD1-CB 3.41Å; F144-L171 HydrophobicContact CD1-CD1 4.31Å; F144-L171 HydrophobicContact CE1-CB 3.47Å; F144-L171 VanDerWaalsContact CE1-CB 3.47Å; F144-L171 HydrophobicContact CE1-CD1 4.1Å; F144-L171 HydrophobicContact CE1-CG 4.44Å; F144-L171 HydrophobicContact CG-CB 4.11Å; F144-L171 HydrophobicContact CZ-CB 4.21Å; E169-L171 PolarHBondContact O-N 3.16Å; L171-Y173 PolarHBondContact O-N 3.39Å; L171-I174 HydrophobicContact CD2-CD1 4.22Å; L171-I174 WeakPolarHBondContact O-CB 3.5Å; L171-I174 WeakPolarHBondContact O-CG1 3.42Å; L171-I174 PolarHBondContact O-N 2.8Å; L171-I174 VanDerWaalsContact O-N 3.07Å
172K84.4Confident76.6Confident44 Ų4481.7 Ų81.719%0.19142%0.424CS..G310 helixtrans-53.3-24.2173.372.5-163.9170.9-163.30114.4V141 F144 E169 A170 I174 C175V141-K172 HydrophobicContact CG1-CB 4.47Å; F144-K172 HydrophobicContact CB-CB 3.9Å; F144-K172 HydrophobicContact CD2-CB 4.39Å; F144-K172 HydrophobicContact CG-CB 4.44Å; E169-K172 HydrophobicContact CG-CD 4.45Å; E169-K172 WeakPolarHBondContact O-CB 3.29Å; E169-K172 WeakPolarHBondContact O-CD 3.17Å; E169-K172 WeakPolarHBondContact O-CG 3.42Å; E169-K172 PolarHBondContact O-N 2.88Å; E169-K172 IonicContact OE1-NZ 2.68Å; E169-K172 PolarHBondContact OE1-NZ 2.82Å; E169-K172 IonicContact OE2-NZ 2.85Å; E169-K172 PolarHBondContact OE2-NZ 3.23Å; A170-K172 PolarHBondContact O-N 3.45Å; K172-I174 PolarHBondContact O-N 3.49Å; K172-C175 VanDerWaalsContact O-CB 3.27Å; K172-C175 WeakPolarHBondContact O-CB 3.11Å; K172-C175 PolarHBondContact O-N 3.4Å; K172-C175 PolarHBondContact O-SG 2.9Å; K172-C175 VanDerWaalsContact O-SG 3.33Å
173Y82.6Confident76Confident159 Ų15987.5 Ų87.562%0.62445%0.445SS*.G310 helixtrans-65-22.2177.6-66.9-58.7000113.9A170 L171 C175 N176A170-Y173 WeakPolarHBondContact O-CD2 3.26Å; A170-Y173 PolarHBondContact O-N 2.81Å; L171-Y173 PolarHBondContact O-N 3.39Å; Y173-C175 PolarHBondContact O-N 3.42Å; Y173-N176 VanDerWaalsContact O-CB 3.29Å; Y173-N176 WeakPolarHBondContact O-CB 3.36Å; Y173-N176 PolarHBondContact O-N 3.49Å; Y173-N176 VanDerWaalsContact O-N 3.1Å
174I81.2Confident75.2Confident100 Ų10088.3 Ų88.351%0.51345%0.446SS..G310 helixtrans-61.9-28.4175.6-61.3171.4000111.1L171 K172 N176 I177L171-I174 HydrophobicContact CD2-CD1 4.22Å; L171-I174 WeakPolarHBondContact O-CB 3.5Å; L171-I174 WeakPolarHBondContact O-CG1 3.42Å; L171-I174 PolarHBondContact O-N 2.8Å; L171-I174 VanDerWaalsContact O-N 3.07Å; K172-I174 PolarHBondContact O-N 3.49Å; I174-N176 PolarHBondContact O-N 3.16Å; I174-N176 VanDerWaalsContact O-N 3.11Å; I174-I177 PolarHBondContact O-N 2.85Å
175C81.2Confident74.4Confident9 Ų982.8 Ų82.86%0.06143%0.425CS..G310 helixtrans-62.2-17.9176.8-54.30000113.7Y137 C140 V141 K172 Y173 I177 G178Y137-C175 HydrophobicContact CD2-CB 4.25Å; Y137-C175 HydrophobicContact CE2-CB 4.36Å; C140-C175 HydrophobicContact CB-CB 3.76Å; C140-C175 WeakPolarHBondContact CB-SG 3.42Å; C140-C175 VanDerWaalsContact SG-CA 3.55Å; C140-C175 WeakPolarHBondContact SG-CB 3.38Å; C140-C175 CovalentContact SG-SG 2.04Å; C140-C175 PolarHBondContact SG-SG 2.77Å; V141-C175 HydrophobicContact CG2-CB 3.83Å; V141-C175 PolarHBondContact N-SG 2.8Å; V141-C175 VanDerWaalsContact N-SG 3.39Å; K172-C175 VanDerWaalsContact O-CB 3.27Å; K172-C175 WeakPolarHBondContact O-CB 3.11Å; K172-C175 PolarHBondContact O-N 3.4Å; K172-C175 PolarHBondContact O-SG 2.9Å; K172-C175 VanDerWaalsContact O-SG 3.33Å; Y173-C175 PolarHBondContact O-N 3.42Å; C175-I177 PolarHBondContact O-N 2.91Å; C175-I177 VanDerWaalsContact O-N 3.11Å; C175-G178 PolarHBondContact O-N 2.79Å
176N77.6Confident73.3Confident72 Ų7287.5 Ų87.539%0.38545%0.454SS..G310 helixtrans-65.5-12.4-178.4-70.3-10.4000114.2Y173 I174 G178 L179Y173-N176 VanDerWaalsContact O-CB 3.29Å; Y173-N176 WeakPolarHBondContact O-CB 3.36Å; Y173-N176 PolarHBondContact O-N 3.49Å; Y173-N176 VanDerWaalsContact O-N 3.1Å; I174-N176 PolarHBondContact O-N 3.16Å; I174-N176 VanDerWaalsContact O-N 3.11Å; N176-G178 PolarHBondContact O-N 3.33Å; N176-G178 VanDerWaalsContact O-N 3.12Å; N176-L179 HydrophobicContact CB-CD1 4.44Å; N176-L179 WeakPolarHBondContact O-CB 3.24Å; N176-L179 PolarHBondContact O-N 3.29Å
177I68.5Low72.3Confident131 Ų13186.7 Ų86.767%0.67246%0.456SS*.G310 helixtrans-54.4-29170.7-65.4171.7000111.2I174 C175 L179 L180I174-I177 PolarHBondContact O-N 2.85Å; C175-I177 PolarHBondContact O-N 2.91Å; C175-I177 VanDerWaalsContact O-N 3.11Å; I177-L179 PolarHBondContact O-N 3Å; I177-L180 WeakPolarHBondContact O-CB 3.29Å; I177-L180 PolarHBondContact O-N 2.83Å; I177-L180 VanDerWaalsContact O-N 3.12Å
178G64.5Low71.1Confident29 Ų2991.3 Ų91.330%0.29946%0.464SS..Hα-helixtrans-58.7-26.9174.100000115.1C175 N176 L180 L181 Q182C175-G178 PolarHBondContact O-N 2.79Å; N176-G178 PolarHBondContact O-N 3.33Å; N176-G178 VanDerWaalsContact O-N 3.12Å; G178-L180 PolarHBondContact O-N 3.2Å; G178-L181 PolarHBondContact O-N 2.8Å; G178-Q182 PolarHBondContact O-N 2.8Å
179L63.6Low70Confident84 Ų8491.1 Ų91.144%0.4447%0.472SS..Hα-helixtrans-68.5-17.9177.4-81.379.3000112.8Y137 N176 I177 Q182Y137-L179 HydrophobicContact CE2-CD1 4.17Å; N176-L179 HydrophobicContact CB-CD1 4.44Å; N176-L179 WeakPolarHBondContact O-CB 3.24Å; N176-L179 PolarHBondContact O-N 3.29Å; I177-L179 PolarHBondContact O-N 3Å; L179-Q182 VanDerWaalsContact O-CB 3.3Å; L179-Q182 WeakPolarHBondContact O-CB 3.22Å; L179-Q182 PolarHBondContact O-N 2.97Å
180L62.8Low68.8Low130 Ų13095.7 Ų95.768%0.68149%0.494SS*.Hα-helixtrans-74.3-33.3178-152.5148.4000111.2I177 G178 Q182I177-L180 WeakPolarHBondContact O-CB 3.29Å; I177-L180 PolarHBondContact O-N 2.83Å; I177-L180 VanDerWaalsContact O-N 3.12Å; G178-L180 PolarHBondContact O-N 3.2Å; L180-Q182 VanDerWaalsContact C-N 3.35Å
181L60.7Low67.7Low86 Ų8699.5 Ų99.545%0.4551%0.507SS..Hα-helixtrans-68.8-32.2171.2-65172.9000112.3I133 G178 K183 L184 C185I133-L181 HydrophobicContact CG2-CB 4.13Å; I133-L181 HydrophobicContact CG2-CD1 3.88Å; G178-L181 PolarHBondContact O-N 2.8Å; L181-K183 VanDerWaalsContact C-N 3.25Å; L181-K183 PolarHBondContact O-N 3.36Å; L181-L184 PolarHBondContact O-N 2.9Å; L181-C185 PolarHBondContact O-N 3.34Å; L181-C185 VanDerWaalsContact O-N 3.12Å
182Q61.2Low66.5Low117 Ų11796.6 Ų96.655%0.54750%0.495SS..Hα-helixtrans-54.2-41.8177.2-169.4-174.93.700111.8G178 L179 L180 L184 C185 T186G178-Q182 PolarHBondContact O-N 2.8Å; L179-Q182 VanDerWaalsContact O-CB 3.3Å; L179-Q182 WeakPolarHBondContact O-CB 3.22Å; L179-Q182 PolarHBondContact O-N 2.97Å; L180-Q182 VanDerWaalsContact C-N 3.35Å; Q182-L184 VanDerWaalsContact C-N 3.31Å; Q182-L184 PolarHBondContact O-N 3.41Å; Q182-C185 PolarHBondContact O-N 2.84Å; Q182-T186 PolarHBondContact O-N 3.47Å; Q182-T186 VanDerWaalsContact O-N 3.13Å; Q182-T186 PolarHBondContact O-OG1 2.8Å
183K64.5Low65.4Low163 Ų163100.6 Ų100.671%0.70951%0.514SS*.Hα-helixtrans-62.2-36.1178.3-74.9-171.7175.1-178.20113.1L181 T186L181-K183 VanDerWaalsContact C-N 3.25Å; L181-K183 PolarHBondContact O-N 3.36Å; K183-T186 WeakPolarHBondContact CA-OG1 3.43Å; K183-T186 PolarHBondContact O-N 2.74Å; K183-T186 PolarHBondContact O-OG1 3.32Å
184L64.8Low64.4Low118 Ų118100.4 Ų100.462%0.61852%0.517SS*.Hα-helixtrans-70.8-42176.7-65.6172.1000111.3L181 Q182 T186 F187L181-L184 PolarHBondContact O-N 2.9Å; Q182-L184 VanDerWaalsContact C-N 3.31Å; Q182-L184 PolarHBondContact O-N 3.41Å; L184-T186 PolarHBondContact O-N 3.23Å; L184-T186 VanDerWaalsContact O-N 3.15Å; L184-F187 PolarHBondContact O-N 3.39Å; L184-F187 VanDerWaalsContact O-N 3.17Å
185C65.7Low63.6Low32 Ų3299.1 Ų99.122%0.21651%0.51CS..Hα-helixtrans-62.1-18.9172.4-61.20000113.4M126 C129 L181 Q182M126-C185 WeakPolarHBondContact CE-O 3.2Å; C129-C185 HydrophobicContact CB-CB 3.85Å; C129-C185 WeakPolarHBondContact CB-SG 3.43Å; C129-C185 PolarHBondContact O-SG 2.89Å; C129-C185 WeakPolarHBondContact SG-CA 3.3Å; C129-C185 WeakPolarHBondContact SG-CB 3.21Å; C129-C185 CovalentContact SG-SG 2.04Å; C129-C185 PolarHBondContact SG-SG 2.74Å; L181-C185 PolarHBondContact O-N 3.34Å; L181-C185 VanDerWaalsContact O-N 3.12Å; Q182-C185 PolarHBondContact O-N 2.84Å
186T60.3Low62.7Low99 Ų99103 Ų10361%0.60753%0.526SS*.THydrogen-bonded Turntrans-91.22.4176540000115.6Q182 K183 L184 K188Q182-T186 PolarHBondContact O-N 3.47Å; Q182-T186 VanDerWaalsContact O-N 3.13Å; Q182-T186 PolarHBondContact O-OG1 2.8Å; K183-T186 WeakPolarHBondContact CA-OG1 3.43Å; K183-T186 PolarHBondContact O-N 2.74Å; K183-T186 PolarHBondContact O-OG1 3.32Å; L184-T186 PolarHBondContact O-N 3.23Å; L184-T186 VanDerWaalsContact O-N 3.15Å; T186-K188 PolarHBondContact O-N 3.11Å
187F64.2Low62.1Low167 Ų167104 Ų10473%0.73253%0.532SS*.  trans-7432.7179.5-162.7-107.8000114.1L184L184-F187 PolarHBondContact O-N 3.39Å; L184-F187 VanDerWaalsContact O-N 3.17Å
188K55.7Low61.9Low138 Ų13899.6 Ų99.660%0.652%0.515SS*.  trans-86.9121.4-171.9-152.1174.4-174.8178.40111.3M126 T186M126-K188 HydrophobicContact CE-CB 3.61Å; M126-K188 HydrophobicContact CE-CD 4.26Å; M126-K188 HydrophobicContact CE-CG 3.87Å; T186-K188 PolarHBondContact O-N 3.11Å
189G57Low62.1Low46 Ų46101.6 Ų101.647%0.47452%0.521SS..SBendtrans123.3-48.7158.500000116.9L191 A192G189-L191 VanDerWaalsContact C-N 3.32Å; G189-L191 PolarHBondContact O-N 2.91Å; G189-L191 VanDerWaalsContact O-N 3.09Å; G189-A192 PolarHBondContact O-N 3Å
190Q58Low62.4Low155 Ų15598.3 Ų98.372%0.72450%0.504SS*.THydrogen-bonded Turntrans-65.7-22.9-159-65.6-167.8-1.400116.7
191L60Low62.9Low126 Ų12694 Ų9466%0.6649%0.49SS*.THydrogen-bonded Turntrans-88.2-36.5-175.3-172.660.7000113.7G189 I195G189-L191 VanDerWaalsContact C-N 3.32Å; G189-L191 PolarHBondContact O-N 2.91Å; G189-L191 VanDerWaalsContact O-N 3.09Å; L191-I195 HydrophobicContact CD1-CD1 4.24Å; L191-I195 HydrophobicContact CG-CD1 4.45Å; L191-I195 WeakPolarHBondContact O-CD1 3.33Å; L191-I195 WeakPolarHBondContact O-CG1 3.32Å
192A58.7Low63.8Low24 Ų2498.1 Ų98.120%0.19850%0.5CS..Hα-helixtrans-79.3-43.5-17000000113.4N119 G189 I195 K196N119-A192 HydrophobicContact CB-CB 4.3Å; N119-A192 VanDerWaalsContact OD1-CB 3.28Å; N119-A192 WeakPolarHBondContact OD1-CB 3.49Å; G189-A192 PolarHBondContact O-N 3Å; A192-I195 PolarHBondContact O-N 2.94Å; A192-K196 PolarHBondContact O-N 3.45Å
193E60.5Low64.6Low127 Ų12796.5 Ų96.559%0.59350%0.495SS*.Hα-helixtrans-69.9-40.8-178.3-65.8-139.9114.600112.6I195 K196 D197E193-I195 PolarHBondContact O-N 2.88Å; E193-K196 PolarHBondContact O-N 3.13Å; E193-K196 VanDerWaalsContact O-N 3.11Å; E193-D197 PolarHBondContact O-N 3.03Å
194K61.9Low65.3Low156 Ų15691.8 Ų91.868%0.67848%0.475SS*.Hα-helixtrans-59.1-29.6178.7-77-172.2173.7-179.20113.2A198K194-A198 WeakPolarHBondContact O-CB 3.45Å
195I63.7Low66.1Low73 Ų7393.4 Ų93.437%0.37448%0.477SS..Hα-helixtrans-81.7-41.4176.3-63172.1000110.8I115 L191 A192 E193I115-I195 HydrophobicContact CD1-CG2 3.94Å; L191-I195 HydrophobicContact CD1-CD1 4.24Å; L191-I195 HydrophobicContact CG-CD1 4.45Å; L191-I195 WeakPolarHBondContact O-CD1 3.33Å; L191-I195 WeakPolarHBondContact O-CG1 3.32Å; A192-I195 PolarHBondContact O-N 2.94Å; E193-I195 PolarHBondContact O-N 2.88Å
196K62.5Low66.9Low89 Ų89100.2 Ų100.239%0.38750%0.498SS..Iπ-helixtrans-55.9-61.8-178.9174-177.8150.7-850112.2A192 E193A192-K196 PolarHBondContact O-N 3.45Å; E193-K196 PolarHBondContact O-N 3.13Å; E193-K196 VanDerWaalsContact O-N 3.11Å
197D65.1Low67.9Low94 Ų9496.4 Ų96.450%0.50347%0.474SS..Iπ-helixtrans-88.7-22.8-166.8-62.1-45.6000113.5E193E193-D197 PolarHBondContact O-N 3.03Å
198A65Low68.7Low38 Ų3892.5 Ų92.531%0.31446%0.461SS..Iπ-helixtrans-80.7-23.7-178.700000114K194 R202K194-A198 WeakPolarHBondContact O-CB 3.45Å; A198-R202 PolarHBondContact O-NE 3.09Å; A198-R202 PolarHBondContact O-NH2 2.88Å
199V67.7Low70Confident72 Ų7290.1 Ų90.144%0.43645%0.452SS..Iπ-helixtrans-115.6-58.7-171.3-176.70000112R202 L203V199-R202 PolarHBondContact O-N 3.44Å; V199-L203 HydrophobicContact CG1-CD1 4.04Å; V199-L203 PolarHBondContact O-N 3.18Å
200I71Confident71.1Confident14 Ų1489.9 Ų89.97%0.07245%0.446CS..Iπ-helixtrans-65.5-55.8-168.8-65.2154.1000111.1V108 I115 R202 L203 E204V108-I200 HydrophobicContact CG1-CG2 4.2Å; I115-I200 HydrophobicContact CD1-CD1 3.9Å; I200-R202 PolarHBondContact O-N 3.21Å; I200-R202 VanDerWaalsContact O-N 3.08Å; I200-L203 PolarHBondContact O-N 2.97Å; I200-E204 VanDerWaalsContact CG2-CD 3.49Å; I200-E204 HydrophobicContact CG2-CG 4.24Å; I200-E204 WeakPolarHBondContact CG2-OE1 3.45Å; I200-E204 PolarHBondContact O-N 3.38Å
201G73.6Confident72.1Confident39 Ų3984.6 Ų84.640%0.40242%0.421SS..Hα-helixtrans-65.1-14.8-178.400000115.1
202R78.6Confident73Confident173 Ų17385.1 Ų85.165%0.65342%0.42SS*.Hα-helixtrans-87.1-27.2170.8-77.2-164.3-75.6-153.7-0.7113.3A198 V199 I200 R206A198-R202 PolarHBondContact O-NE 3.09Å; A198-R202 PolarHBondContact O-NH2 2.88Å; V199-R202 PolarHBondContact O-N 3.44Å; I200-R202 PolarHBondContact O-N 3.21Å; I200-R202 VanDerWaalsContact O-N 3.08Å; R202-R206 VanDerWaalsContact O-CG 3.3Å; R202-R206 WeakPolarHBondContact O-CG 3.18Å
203L78.7Confident74Confident83 Ų8388.6 Ų88.644%0.43544%0.435SS..Hα-helixtrans-75.8-48.5172.8-85.7160.2000111.2V108 V199 I200 K205 R206 I207V108-L203 HydrophobicContact CG1-CB 4.01Å; V108-L203 HydrophobicContact CG2-CB 4.3Å; V199-L203 HydrophobicContact CG1-CD1 4.04Å; V199-L203 PolarHBondContact O-N 3.18Å; I200-L203 PolarHBondContact O-N 2.97Å; L203-K205 PolarHBondContact O-N 2.82Å; L203-R206 PolarHBondContact O-N 3.4Å; L203-R206 VanDerWaalsContact O-N 3.1Å; L203-I207 WeakPolarHBondContact O-CG1 3.22Å; L203-I207 PolarHBondContact O-N 3.48Å; L203-I207 VanDerWaalsContact O-N 3.11Å
204E78.9Confident74.5Confident64 Ų6484.7 Ų84.730%0.29942%0.418SS..Hα-helixtrans-53.7-56178.7-67.1170.6156.500110.4V108 I200 R206 I207 D208V108-E204 HydrophobicContact CG1-CG 3.69Å; I200-E204 VanDerWaalsContact CG2-CD 3.49Å; I200-E204 HydrophobicContact CG2-CG 4.24Å; I200-E204 WeakPolarHBondContact CG2-OE1 3.45Å; I200-E204 PolarHBondContact O-N 3.38Å; E204-R206 PolarHBondContact O-N 3.46Å; E204-R206 VanDerWaalsContact O-N 3.1Å; E204-I207 PolarHBondContact O-N 3.3Å; E204-D208 PolarHBondContact O-N 2.98Å
205K81.6Confident75Confident152 Ų15279.7 Ų79.766%0.66140%0.399SS*.Hα-helixtrans-59.4-26178.3-174.7169.4-178.6174.30114.9L203 Q209L203-K205 PolarHBondContact O-N 2.82Å; K205-Q209 PolarHBondContact O-N 2.87Å
206R82.5Confident75.3Confident176 Ų17679 Ų7966%0.66440%0.404SS*.Hα-helixtrans-78.4-32.4175.9-82.6-66.4-163.3-175.16.1112.4R202 L203 E204 A210R202-R206 VanDerWaalsContact O-CG 3.3Å; R202-R206 WeakPolarHBondContact O-CG 3.18Å; L203-R206 PolarHBondContact O-N 3.4Å; L203-R206 VanDerWaalsContact O-N 3.1Å; E204-R206 PolarHBondContact O-N 3.46Å; E204-R206 VanDerWaalsContact O-N 3.1Å; R206-A210 WeakPolarHBondContact O-CB 3.36Å; R206-A210 PolarHBondContact O-N 2.89Å
207I81.3Confident75.5Confident18 Ų1882.6 Ų82.69%0.09242%0.422CS..Hα-helixtrans-71.4-44.9175.4-62.3159.9000109.4I104 E105 V108 L203 E204 Q209 A210 E211I104-I207 HydrophobicContact CB-CD1 4.48Å; I104-I207 HydrophobicContact CG2-CD1 3.77Å; I104-I207 HydrophobicContact CG2-CG1 4.34Å; E105-I207 HydrophobicContact CB-CG2 4.2Å; V108-I207 HydrophobicContact CG2-CD1 4.01Å; L203-I207 WeakPolarHBondContact O-CG1 3.22Å; L203-I207 PolarHBondContact O-N 3.48Å; L203-I207 VanDerWaalsContact O-N 3.11Å; E204-I207 PolarHBondContact O-N 3.3Å; I207-Q209 VanDerWaalsContact C-N 3.3Å; I207-Q209 PolarHBondContact O-N 3.43Å; I207-A210 PolarHBondContact O-N 3.48Å; I207-E211 PolarHBondContact O-N 3.26Å
208D80.7Confident75.5Confident85 Ų8582.5 Ų82.546%0.45542%0.415SS..Hα-helixtrans-53.4-46.1175.5-61.3-29.3000112.1E204 E211 Q212E204-D208 PolarHBondContact O-N 2.98Å; D208-E211 PolarHBondContact O-N 3.32Å; D208-Q212 WeakPolarHBondContact O-CG 3.23Å; D208-Q212 PolarHBondContact O-N 3.38Å
209Q83.9Confident75.2Confident88 Ų8889.6 Ų89.641%0.41143%0.434SS..Hα-helixtrans-67.1-44.3180-173.5175.6400111.7K205 I207 E211 Q212 D213K205-Q209 PolarHBondContact O-N 2.87Å; I207-Q209 VanDerWaalsContact C-N 3.3Å; I207-Q209 PolarHBondContact O-N 3.43Å; Q209-E211 VanDerWaalsContact C-N 3.29Å; Q209-E211 PolarHBondContact O-N 2.98Å; Q209-Q212 PolarHBondContact O-N 3.4Å; Q209-Q212 VanDerWaalsContact O-N 3.12Å; Q209-D213 PolarHBondContact O-N 3.4Å
210A80.3Confident74.9Confident42 Ų4289.9 Ų89.935%0.34743%0.429SS..Hα-helixtrans-64.1-31.417900000113L101 R206 I207 L214L101-A210 HydrophobicContact CD2-CB 4.34Å; R206-A210 WeakPolarHBondContact O-CB 3.36Å; R206-A210 PolarHBondContact O-N 2.89Å; I207-A210 PolarHBondContact O-N 3.48Å; A210-L214 WeakPolarHBondContact O-CB 3.19Å; A210-L214 PolarHBondContact O-N 2.97Å
211E77.9Confident74.1Confident44 Ų4496.5 Ų96.521%0.20647%0.465CS..Hα-helixtrans-69-41.4172-160.6-169.113600111.6K98 L101 I207 D208 Q209 L215K98-E211 WeakPolarHBondContact CE-OE1 3.26Å; K98-E211 IonicContact NZ-OE1 2.76Å; K98-E211 PolarHBondContact NZ-OE1 2.93Å; L101-E211 HydrophobicContact CD1-CB 3.94Å; L101-E211 HydrophobicContact CD1-CG 4.12Å; I207-E211 PolarHBondContact O-N 3.26Å; D208-E211 PolarHBondContact O-N 3.32Å; Q209-E211 VanDerWaalsContact C-N 3.29Å; Q209-E211 PolarHBondContact O-N 2.98Å; E211-L215 HydrophobicContact CG-CD1 3.93Å; E211-L215 HydrophobicContact CG-CG 4.44Å; E211-L215 VanDerWaalsContact O-CB 3.31Å; E211-L215 WeakPolarHBondContact O-CB 3.48Å; E211-L215 WeakPolarHBondContact O-CG 3.45Å; E211-L215 PolarHBondContact O-N 2.88Å
212Q79.8Confident73.1Confident136 Ų13699.6 Ų99.664%0.63647%0.467SS*.Hα-helixtrans-67-45.3-179.4-70.9176.629.900112.6D208 Q209 L215 A216D208-Q212 WeakPolarHBondContact O-CG 3.23Å; D208-Q212 PolarHBondContact O-N 3.38Å; Q209-Q212 PolarHBondContact O-N 3.4Å; Q209-Q212 VanDerWaalsContact O-N 3.12Å; Q212-L215 PolarHBondContact O-N 3.15Å; Q212-A216 PolarHBondContact O-N 3.04Å; Q212-A216 VanDerWaalsContact O-N 3.15Å
213D78.3Confident71.5Confident98 Ų9897.1 Ų97.152%0.52447%0.471SS..Hα-helixtrans-63.3-44.1179.4-66.3-24.7000110.9Q209 L215 A216 E217Q209-D213 PolarHBondContact O-N 3.4Å; D213-L215 PolarHBondContact O-N 3.46Å; D213-A216 WeakPolarHBondContact O-CB 3.27Å; D213-A216 PolarHBondContact O-N 3.4Å; D213-A216 VanDerWaalsContact O-N 3.09Å; D213-E217 PolarHBondContact O-N 3.07Å
214L71.5Confident70.2Confident45 Ų4597 Ų9724%0.23647%0.47CS..Hα-helixtrans-69.1-33.4178.4-169.1121.8000113T97 A210 A216 Y218T97-L214 HydrophobicContact CG2-CD1 3.65Å; T97-L214 HydrophobicContact CG2-CD2 3.71Å; T97-L214 HydrophobicContact CG2-CG 4.34Å; A210-L214 WeakPolarHBondContact O-CB 3.19Å; A210-L214 PolarHBondContact O-N 2.97Å; L214-A216 PolarHBondContact O-N 3Å; L214-Y218 HydrophobicContact CD1-CE2 4.44Å; L214-Y218 HydrophobicContact CG-CD2 4.26Å; L214-Y218 HydrophobicContact CG-CE2 4.33Å
215L71.6Confident68.9Low51 Ų51101.2 Ų101.227%0.26749%0.494SS..Hα-helixtrans-73.7-7.7172.2-72174.1000113.4E211 Q212 D213 R219E211-L215 HydrophobicContact CG-CD1 3.93Å; E211-L215 HydrophobicContact CG-CG 4.44Å; E211-L215 VanDerWaalsContact O-CB 3.31Å; E211-L215 WeakPolarHBondContact O-CB 3.48Å; E211-L215 WeakPolarHBondContact O-CG 3.45Å; E211-L215 PolarHBondContact O-N 2.88Å; Q212-L215 PolarHBondContact O-N 3.15Å; D213-L215 PolarHBondContact O-N 3.46Å; L215-R219 WeakPolarHBondContact O-CD 3.25Å; L215-R219 WeakPolarHBondContact O-CG 3.4Å
216A71.5Confident67.5Low58 Ų5897.6 Ų97.648%0.47948%0.48SS..Hα-helixtrans-87-49.3171.100000111.7Q212 D213 L214 Y218 R219Q212-A216 PolarHBondContact O-N 3.04Å; Q212-A216 VanDerWaalsContact O-N 3.15Å; D213-A216 WeakPolarHBondContact O-CB 3.27Å; D213-A216 PolarHBondContact O-N 3.4Å; D213-A216 VanDerWaalsContact O-N 3.09Å; L214-A216 PolarHBondContact O-N 3Å; A216-Y218 VanDerWaalsContact C-N 3.32Å; A216-Y218 PolarHBondContact O-N 2.85Å; A216-R219 WeakPolarHBondContact O-CB 3.39Å; A216-R219 PolarHBondContact O-N 3.15Å
217E66.5Low65.8Low164 Ų16494.8 Ų94.877%0.76648%0.483SS*.Hα-helixtrans-62.9-35.6-173.3-163.465.4-167.900113.3D213D213-E217 PolarHBondContact O-N 3.07Å
218Y64Low64.3Low92 Ų9297.5 Ų97.536%0.36150%0.5SS..THydrogen-bonded Turntrans-91.49.1-179.7-67.9-85.3000114.3F90 V93 A94 L214 A216 F220F90-Y218 HydrophobicContact CD1-CD1 4.33Å; F90-Y218 HydrophobicContact CD1-CE1 4.46Å; V93-Y218 HydrophobicContact CG1-CE1 4.16Å; A94-Y218 HydrophobicContact CB-CG 4.45Å; L214-Y218 HydrophobicContact CD1-CE2 4.44Å; L214-Y218 HydrophobicContact CG-CD2 4.26Å; L214-Y218 HydrophobicContact CG-CE2 4.33Å; A216-Y218 VanDerWaalsContact C-N 3.32Å; A216-Y218 PolarHBondContact O-N 2.85Å; Y218-F220 WeakPolarHBondContact O-CD1 3.34Å; Y218-F220 PolarHBondContact O-N 2.82Å
219R58.5Low62.7Low187 Ų18799.9 Ų99.971%0.70652%0.517SS*.  trans-84.888.5178.4-97.7176.1175.7149.6-5.5112.6L215 A216L215-R219 WeakPolarHBondContact O-CD 3.25Å; L215-R219 WeakPolarHBondContact O-CG 3.4Å; A216-R219 WeakPolarHBondContact O-CB 3.39Å; A216-R219 PolarHBondContact O-N 3.15Å
220F61.8Low61.3Low78 Ų78100.9 Ų100.934%0.34252%0.518SS..  trans-93.9121.9161.663.7-82.3000109.6S87 F90 Y218 F222S87-F220 VanDerWaalsContact O-CZ 3.26Å; S87-F220 WeakPolarHBondContact O-CZ 3.43Å; S87-F220 VanDerWaalsContact OG-CE2 3.23Å; S87-F220 WeakPolarHBondContact OG-CE2 3.44Å; S87-F220 WeakPolarHBondContact OG-CZ 3.41Å; F90-F220 HydrophobicContact CB-CD1 4.17Å; F90-F220 HydrophobicContact CB-CE1 3.59Å; F90-F220 HydrophobicContact CB-CZ 4.43Å; F90-F220 HydrophobicContact CG-CE1 4.49Å; Y218-F220 WeakPolarHBondContact O-CD1 3.34Å; Y218-F220 PolarHBondContact O-N 2.82Å; F220-F222 HydrophobicContact CD2-CB 4.47Å
221N54.7Low59.9Low153 Ų153107.7 Ų107.782%0.81854%0.54SS*.  trans-96.392.7172.4-84.4-16.3000109.4T223N221-T223 PolarHBondContact O-N 3.41Å
222F53.2Low58.9Low105 Ų105109.5 Ų109.546%0.46155%0.55SS..  trans-82105.4174-174.2-88.1000110.5L80 F220 M224L80-F222 HydrophobicContact CD1-CZ 4.3Å; L80-F222 HydrophobicContact CD2-CE1 3.55Å; L80-F222 HydrophobicContact CD2-CZ 3.7Å; L80-F222 HydrophobicContact CG-CE1 4.22Å; L80-F222 HydrophobicContact CG-CZ 3.88Å; F220-F222 HydrophobicContact CD2-CB 4.47Å; F222-M224 HydrophobicContact CE1-CB 4.03Å
223T45.3Very low58Low120 Ų120107.9 Ų107.974%0.73655%0.549SS*.  trans-112.4132.3174.850.20000110.9N221N221-T223 PolarHBondContact O-N 3.41Å
224M49.7Very low57.3Low82 Ų82108 Ų10840%0.40454%0.543SS..  trans-123.8103.1179.2173-179.1153.900109.6A76 L80 F222 E226A76-M224 HydrophobicContact CB-CE 3.85Å; L80-M224 HydrophobicContact CD1-SD 4.09Å; L80-M224 HydrophobicContact CD2-SD 3.32Å; L80-M224 WeakPolarHBondContact CD2-SD 3.33Å; L80-M224 HydrophobicContact CG-SD 4.35Å; F222-M224 HydrophobicContact CE1-CB 4.03Å; M224-E226 HydrophobicContact CE-CB 3.7Å; M224-E226 HydrophobicContact CE-CG 4.17Å; M224-E226 WeakPolarHBondContact CE-OE2 3.36Å
225N51.8Low56.7Low152 Ų152117.9 Ų117.981%0.81358%0.577SS**  trans-95.492.1171.2-71.6-10.4000109T227N225-T227 PolarHBondContact O-N 3.27Å
226E52.6Low56.4Low75 Ų75119.1 Ų119.135%0.3559%0.587SS.*  trans-84.9103.9179.2-174.3177.2-177.200111.6M224 V228M224-E226 HydrophobicContact CE-CB 3.7Å; M224-E226 HydrophobicContact CE-CG 4.17Å; M224-E226 WeakPolarHBondContact CE-OE2 3.36Å; E226-V228 HydrophobicContact CG-CG2 3.84Å
227T47.3Very low56.4Low118 Ų118120.3 Ų120.372%0.72459%0.585SS**  trans-115.370.1176490000111.8N225 T229N225-T227 PolarHBondContact O-N 3.27Å; T227-T229 VanDerWaalsContact C-N 3.34Å; T227-T229 PolarHBondContact O-N 2.91Å
228V50.2Low56.6Low75 Ų75112.7 Ų112.746%0.45555%0.55SS..  trans-73.984.9175.5-177.50000110.7E226 Y230E226-V228 HydrophobicContact CG-CG2 3.84Å; V228-Y230 PolarHBondContact O-N 3.06Å
229T47Very low57Low134 Ų134111.9 Ų111.982%0.82256%0.555SS**  trans-8696.5172.555.90000110.7T227T227-T229 VanDerWaalsContact C-N 3.34Å; T227-T229 PolarHBondContact O-N 2.91Å
230Y53.9Low58.1Low109 Ų109109 Ų10943%0.42755%0.549SS..  trans-91.1133.6169.864.1-83.8000110.5A65 V228A65-Y230 HydrophobicContact CB-CD2 4.17Å; A65-Y230 HydrophobicContact CB-CE2 4.07Å; A65-Y230 WeakPolarHBondContact O-CE2 3.49Å; V228-Y230 PolarHBondContact O-N 3.06Å
231K50.6Low58.9Low185 Ų185108.9 Ų108.980%0.80455%0.551SS**  trans-123.595.3174.7-176179.6177.2178.10109.6T233K231-T233 WeakPolarHBondContact CE-OG1 3.35Å
232M57.5Low60Low83 Ų83103.3 Ų103.341%0.40952%0.519SS..  trans-72.3132.2167.1-66.4-56-175.200109.2V61 A65V61-M232 HydrophobicContact CG1-CE 4.22Å; A65-M232 HydrophobicContact CB-CE 3.67Å; A65-M232 HydrophobicContact CB-CG 4.04Å
233T61.1Low61.4Low102 Ų102101.8 Ų101.863%0.62652%0.516SS*.  trans-142.597.2177-62.80000108.4K231K231-T233 WeakPolarHBondContact CE-OG1 3.35Å
234Y63.1Low63.1Low99 Ų99100 Ų10039%0.38850%0.499SS..  trans-74.9127.6173.8-57.3-62.7000109.1Q58 T236Q58-Y234 HydrophobicContact CB-CE1 4.17Å; Q58-Y234 HydrophobicContact CG-CD1 4.08Å; Q58-Y234 HydrophobicContact CG-CE1 3.81Å; Q58-Y234 PolarHBondContact O-OH 2.8Å; Y234-T236 PolarHBondContact O-N 2.84Å
235R60Low64.6Low253 Ų25397.5 Ų97.596%0.95549%0.487SS*.SBendtrans-67.8-23.7178.3-75.4-171.9175.6-169.5-0.8113.2
236T64.4Low66.1Low78 Ų7893.7 Ų93.748%0.47947%0.465SS..SBendtrans-133.5139.5179.447.90000108.7Y234 V238Y234-T236 PolarHBondContact O-N 2.84Å; T236-V238 PolarHBondContact O-N 3.35Å
237N71.1Confident67.6Low82 Ų8296 Ų9644%0.43947%0.474SS..  trans-79.8106167.9-175.96.8000107.9T239 Q240 L241N237-T239 PolarHBondContact ND2-OG1 3.28Å; N237-T239 PolarHBondContact O-N 2.9Å; N237-T239 PolarHBondContact OD1-OG1 3.49Å; N237-Q240 HydrophobicContact CB-CB 4.37Å; N237-Q240 HydrophobicContact CB-CG 4.25Å; N237-Q240 WeakPolarHBondContact O-CB 3.47Å; N237-Q240 PolarHBondContact O-N 2.84Å; N237-L241 PolarHBondContact O-N 2.85Å; N237-L241 VanDerWaalsContact O-N 3.13Å
238V71.4Confident69.2Low4 Ų494.7 Ų94.72%0.02446%0.459CS..Hα-helixtrans-70.7-16-170.2178.40000112.8T51 I54 A55 Q58 T236 Y242T51-V238 HydrophobicContact CG2-CG1 3.88Å; I54-V238 HydrophobicContact CB-CG1 4.25Å; I54-V238 HydrophobicContact CG2-CG1 3.96Å; I54-V238 HydrophobicContact CG2-CG2 4.05Å; A55-V238 HydrophobicContact CB-CG1 3.98Å; Q58-V238 VanDerWaalsContact NE2-CG2 3.34Å; T236-V238 PolarHBondContact O-N 3.35Å; V238-Y242 VanDerWaalsContact O-CB 3.23Å; V238-Y242 WeakPolarHBondContact O-CB 3.33Å; V238-Y242 PolarHBondContact O-N 3.48Å
239T72.7Confident70.9Confident76 Ų7692.7 Ų92.747%0.46644%0.444SS..Hα-helixtrans-67-43.6167.1670000111.3N237 L241 Y242 D243N237-T239 PolarHBondContact ND2-OG1 3.28Å; N237-T239 PolarHBondContact O-N 2.9Å; N237-T239 PolarHBondContact OD1-OG1 3.49Å; T239-L241 VanDerWaalsContact C-N 3.35Å; T239-L241 PolarHBondContact O-N 2.83Å; T239-Y242 WeakPolarHBondContact O-CA 3.38Å; T239-Y242 WeakPolarHBondContact O-CB 3.35Å; T239-Y242 PolarHBondContact O-N 3.45Å; T239-Y242 VanDerWaalsContact O-N 3.12Å; T239-D243 PolarHBondContact O-N 3.02Å
240Q79.9Confident72.7Confident126 Ų12690.7 Ų90.759%0.58943%0.428SS*.Hα-helixtrans-65.6-37.8176.1-69.1173.8-25.600112N237 Y242 D243 E244N237-Q240 HydrophobicContact CB-CB 4.37Å; N237-Q240 HydrophobicContact CB-CG 4.25Å; N237-Q240 WeakPolarHBondContact O-CB 3.47Å; N237-Q240 PolarHBondContact O-N 2.84Å; Q240-Y242 VanDerWaalsContact C-N 3.3Å; Q240-D243 PolarHBondContact O-N 3.12Å; Q240-E244 VanDerWaalsContact O-CB 3.31Å; Q240-E244 WeakPolarHBondContact O-CB 3.38Å; Q240-E244 PolarHBondContact O-N 3.41Å
241L79Confident74.3Confident75 Ų7590.3 Ų90.339%0.39344%0.437SS..Hα-helixtrans-64.9-36.2172.6-179.860.8000111.7T51 N237 T239 L245T51-L241 HydrophobicContact CG2-CG 4.36Å; N237-L241 PolarHBondContact O-N 2.85Å; N237-L241 VanDerWaalsContact O-N 3.13Å; T239-L241 VanDerWaalsContact C-N 3.35Å; T239-L241 PolarHBondContact O-N 2.83Å; L241-L245 HydrophobicContact CD1-CD1 4.09Å; L241-L245 HydrophobicContact CD1-CG 4.25Å; L241-L245 HydrophobicContact CG-CD1 4.04Å; L241-L245 WeakPolarHBondContact O-CB 3.31Å; L241-L245 VanDerWaalsContact O-CG 3.27Å; L241-L245 WeakPolarHBondContact O-CG 3.49Å; L241-L245 PolarHBondContact O-N 3.18Å
242Y79Confident75.9Confident36 Ų3683.6 Ų83.614%0.14141%0.409CS..Hα-helixtrans-65.8-50.9174.3173.8-96.2000111.8Q48 T51 K52 V238 T239 Q240 E244 L245 E246Q48-Y242 HydrophobicContact CG-CE2 3.82Å; Q48-Y242 PolarHBondContact NE2-OH 2.92Å; Q48-Y242 VanDerWaalsContact NE2-OH 3.13Å; T51-Y242 HydrophobicContact CG2-CD2 4.31Å; K52-Y242 HydrophobicContact CD-CE2 4.02Å; K52-Y242 WeakPolarHBondContact CE-OH 3.14Å; K52-Y242 HydrophobicContact CG-CD2 3.88Å; K52-Y242 HydrophobicContact CG-CE2 3.56Å; K52-Y242 PolarHBondContact NZ-OH 3.17Å; V238-Y242 VanDerWaalsContact O-CB 3.23Å; V238-Y242 WeakPolarHBondContact O-CB 3.33Å; V238-Y242 PolarHBondContact O-N 3.48Å; T239-Y242 WeakPolarHBondContact O-CA 3.38Å; T239-Y242 WeakPolarHBondContact O-CB 3.35Å; T239-Y242 PolarHBondContact O-N 3.45Å; T239-Y242 VanDerWaalsContact O-N 3.12Å; Q240-Y242 VanDerWaalsContact C-N 3.3Å; Y242-E244 PolarHBondContact O-N 3.3Å; Y242-L245 PolarHBondContact O-N 3.34Å; Y242-E246 HydrophobicContact CE1-CB 4.49Å; Y242-E246 WeakPolarHBondContact CE1-OE2 3.23Å; Y242-E246 PolarHBondContact O-N 2.94Å; Y242-E246 PolarHBondContact OH-OE1 2.94Å; Y242-E246 PolarHBondContact OH-OE2 3.16Å
243D81.2Confident77.3Confident74 Ų7485.1 Ų85.140%0.39641%0.411SS..Hα-helixtrans-60.7-33.4179.6-57.2-25.1000111.8T239 Q240 K247T239-D243 PolarHBondContact O-N 3.02Å; Q240-D243 PolarHBondContact O-N 3.12Å; D243-K247 WeakPolarHBondContact O-CD 3.33Å; D243-K247 WeakPolarHBondContact O-CE 3.41Å; D243-K247 VanDerWaalsContact O-CG 3.26Å; D243-K247 WeakPolarHBondContact O-CG 3.32Å; D243-K247 PolarHBondContact O-N 3.25Å
244E81.4Confident78.7Confident82 Ų8282.7 Ų82.738%0.38340%0.398SS..Hα-helixtrans-75.4-43175.5-174.956-154.100112.1Q240 Y242 E246 K247 Q248Q240-E244 VanDerWaalsContact O-CB 3.31Å; Q240-E244 WeakPolarHBondContact O-CB 3.38Å; Q240-E244 PolarHBondContact O-N 3.41Å; Y242-E244 PolarHBondContact O-N 3.3Å; E244-E246 VanDerWaalsContact C-N 3.32Å; E244-E246 PolarHBondContact O-N 3.45Å; E244-K247 PolarHBondContact O-N 3.45Å; E244-Q248 WeakPolarHBondContact O-CB 3.27Å; E244-Q248 WeakPolarHBondContact O-CG 3.49Å; E244-Q248 PolarHBondContact O-N 3.15Å; E244-Q248 PolarHBondContact OE1-NE2 3.33Å
245L81.5Confident79.9Confident29 Ų2979.9 Ų79.915%0.15240%0.395CS..Hα-helixtrans-66.9-30.5175.1-75.7171.9000112.8L47 T51 L241 Y242 Y249L47-L245 HydrophobicContact CD2-CD2 4.1Å; T51-L245 HydrophobicContact CG2-CD1 4.09Å; T51-L245 VanDerWaalsContact OG1-CD1 3.26Å; T51-L245 WeakPolarHBondContact OG1-CD1 2.93Å; L241-L245 HydrophobicContact CD1-CD1 4.09Å; L241-L245 HydrophobicContact CD1-CG 4.25Å; L241-L245 HydrophobicContact CG-CD1 4.04Å; L241-L245 WeakPolarHBondContact O-CB 3.31Å; L241-L245 VanDerWaalsContact O-CG 3.27Å; L241-L245 WeakPolarHBondContact O-CG 3.49Å; L241-L245 PolarHBondContact O-N 3.18Å; Y242-L245 PolarHBondContact O-N 3.34Å; L245-Y249 VanDerWaalsContact O-CB 3.23Å; L245-Y249 WeakPolarHBondContact O-CB 3.5Å; L245-Y249 PolarHBondContact O-N 3.4Å
246E82.7Confident81.1Confident73 Ų7369.3 Ų69.334%0.34136%0.357SS..Hα-helixtrans-69.2-42.7173.6-175.6147.5-118.700111.5Q48 Y242 E244 Q248 Y249 D250Q48-E246 PolarHBondContact NE2-OE1 3.12Å; Y242-E246 HydrophobicContact CE1-CB 4.49Å; Y242-E246 WeakPolarHBondContact CE1-OE2 3.23Å; Y242-E246 PolarHBondContact O-N 2.94Å; Y242-E246 PolarHBondContact OH-OE1 2.94Å; Y242-E246 PolarHBondContact OH-OE2 3.16Å; E244-E246 VanDerWaalsContact C-N 3.32Å; E244-E246 PolarHBondContact O-N 3.45Å; E246-Q248 PolarHBondContact O-N 3.23Å; E246-Y249 WeakPolarHBondContact O-CB 3.39Å; E246-Y249 PolarHBondContact O-N 3.4Å; E246-D250 PolarHBondContact O-N 3.02Å; E246-D250 VanDerWaalsContact O-N 3.11Å
247K84.5Confident82.2Confident124 Ų12469.8 Ų69.854%0.53936%0.356SS..Hα-helixtrans-61.6-44.2171.2-67.6163.2-161.6159.40112.1D243 E244 Y249 D250 V251D243-K247 WeakPolarHBondContact O-CD 3.33Å; D243-K247 WeakPolarHBondContact O-CE 3.41Å; D243-K247 VanDerWaalsContact O-CG 3.26Å; D243-K247 WeakPolarHBondContact O-CG 3.32Å; D243-K247 PolarHBondContact O-N 3.25Å; E244-K247 PolarHBondContact O-N 3.45Å; K247-Y249 VanDerWaalsContact C-N 3.34Å; K247-D250 PolarHBondContact O-N 3.13Å; K247-V251 WeakPolarHBondContact O-CG2 3.37Å; K247-V251 PolarHBondContact O-N 3.19Å
248Q82.4Confident83.1Confident90 Ų9071.5 Ų71.542%0.42136%0.36SS..Hα-helixtrans-67.2-35.5178.4-71.2-176.72200111.7E244 E246 V251 I252E244-Q248 WeakPolarHBondContact O-CB 3.27Å; E244-Q248 WeakPolarHBondContact O-CG 3.49Å; E244-Q248 PolarHBondContact O-N 3.15Å; E244-Q248 PolarHBondContact OE1-NE2 3.33Å; E246-Q248 PolarHBondContact O-N 3.23Å; Q248-V251 PolarHBondContact O-N 2.92Å; Q248-I252 VanDerWaalsContact O-CB 3.26Å; Q248-I252 WeakPolarHBondContact O-CB 3.26Å; Q248-I252 WeakPolarHBondContact O-CD1 3.44Å; Q248-I252 WeakPolarHBondContact O-CG1 3.26Å; Q248-I252 PolarHBondContact O-N 2.81Å
249Y84.2Confident83.9Confident33 Ų3373.5 Ų73.513%0.12937%0.372CS..Hα-helixtrans-57.7-49.6172.2177.3-88.9000111.4M41 Q44 L245 E246 K247 I252 R253M41-Y249 HydrophobicContact CE-CE1 4.42Å; M41-Y249 HydrophobicContact CE-CE2 3.79Å; M41-Y249 VanDerWaalsContact CE-OH 3.31Å; M41-Y249 WeakPolarHBondContact CE-OH 3.11Å; Q44-Y249 HydrophobicContact CB-CD2 3.84Å; Q44-Y249 HydrophobicContact CB-CE2 3.98Å; L245-Y249 VanDerWaalsContact O-CB 3.23Å; L245-Y249 WeakPolarHBondContact O-CB 3.5Å; L245-Y249 PolarHBondContact O-N 3.4Å; E246-Y249 WeakPolarHBondContact O-CB 3.39Å; E246-Y249 PolarHBondContact O-N 3.4Å; K247-Y249 VanDerWaalsContact C-N 3.34Å; Y249-I252 PolarHBondContact O-N 2.98Å; Y249-R253 WeakPolarHBondContact O-CB 3.39Å; Y249-R253 PolarHBondContact O-N 2.88Å
250D85Confident84.7Confident92 Ų9270.8 Ų70.849%0.49236%0.355SS..Hα-helixtrans-68.2-36.5179.4-79.1-19.9000113E246 K247 S254E246-D250 PolarHBondContact O-N 3.02Å; E246-D250 VanDerWaalsContact O-N 3.11Å; K247-D250 PolarHBondContact O-N 3.13Å; D250-S254 VanDerWaalsContact O-CB 3.32Å; D250-S254 WeakPolarHBondContact O-CB 3.45Å; D250-S254 PolarHBondContact O-N 2.65Å
251V87.4Confident85.2Confident101 Ų10169.5 Ų69.561%0.61235%0.349SS*.Hα-helixtrans-65.4-46173.6169.70000111.4K247 Q248 S254 A255K247-V251 WeakPolarHBondContact O-CG2 3.37Å; K247-V251 PolarHBondContact O-N 3.19Å; Q248-V251 PolarHBondContact O-N 2.92Å; V251-S254 PolarHBondContact O-N 2.84Å; V251-A255 WeakPolarHBondContact O-CB 3.33Å; V251-A255 PolarHBondContact O-N 2.87Å
252I85.6Confident85.8Confident43 Ų4370.4 Ų70.422%0.22135%0.353CS..Hα-helixtrans-63.5-44.6177-71.1167.4000109.8M40 Q44 Q248 Y249 A255 M256M40-I252 HydrophobicContact CE-CG2 4.07Å; Q44-I252 HydrophobicContact CG-CG2 4.42Å; Q248-I252 VanDerWaalsContact O-CB 3.26Å; Q248-I252 WeakPolarHBondContact O-CB 3.26Å; Q248-I252 WeakPolarHBondContact O-CD1 3.44Å; Q248-I252 WeakPolarHBondContact O-CG1 3.26Å; Q248-I252 PolarHBondContact O-N 2.81Å; Y249-I252 PolarHBondContact O-N 2.98Å; I252-A255 WeakPolarHBondContact O-CB 3.5Å; I252-A255 PolarHBondContact O-N 3.44Å; I252-M256 HydrophobicContact CG2-CG 4.27Å; I252-M256 WeakPolarHBondContact O-CB 3.46Å; I252-M256 VanDerWaalsContact O-CG 3.31Å; I252-M256 WeakPolarHBondContact O-CG 3.16Å; I252-M256 PolarHBondContact O-N 2.88Å
253R86.6Confident86.3Confident116 Ų11670.5 Ų70.544%0.43835%0.354SS..Hα-helixtrans-59.1-49.5175.7-174.3177.5-174.7163.57.3111.6M41 Y249 A255 M256 D257M41-R253 HydrophobicContact CE-CB 4.19Å; M41-R253 HydrophobicContact CE-CG 3.99Å; Y249-R253 WeakPolarHBondContact O-CB 3.39Å; Y249-R253 PolarHBondContact O-N 2.88Å; R253-A255 VanDerWaalsContact C-N 3.27Å; R253-A255 PolarHBondContact O-N 2.85Å; R253-M256 PolarHBondContact O-N 3.14Å; R253-M256 VanDerWaalsContact O-N 3.09Å; R253-D257 PolarHBondContact O-N 3.31Å
254S88.9Confident86.7Confident51 Ų5168.9 Ų68.936%0.35736%0.355SS..Hα-helixtrans-60.2-35.9176.2-173.30000112.7D250 V251 K258D250-S254 VanDerWaalsContact O-CB 3.32Å; D250-S254 WeakPolarHBondContact O-CB 3.45Å; D250-S254 PolarHBondContact O-N 2.65Å; V251-S254 PolarHBondContact O-N 2.84Å; S254-K258 WeakPolarHBondContact O-CD 3.31Å; S254-K258 VanDerWaalsContact O-CG 3.27Å; S254-K258 WeakPolarHBondContact O-CG 3.21Å; S254-K258 PolarHBondContact O-N 3.09Å; S254-K258 PolarHBondContact OG-NZ 2.83Å
255A88.2Confident87.2Confident40 Ų4071.4 Ų71.433%0.33136%0.362SS..Hα-helixtrans-68.8-42.2173.200000112V251 I252 R253 K258 V259V251-A255 WeakPolarHBondContact O-CB 3.33Å; V251-A255 PolarHBondContact O-N 2.87Å; I252-A255 WeakPolarHBondContact O-CB 3.5Å; I252-A255 PolarHBondContact O-N 3.44Å; R253-A255 VanDerWaalsContact C-N 3.27Å; R253-A255 PolarHBondContact O-N 2.85Å; A255-K258 WeakPolarHBondContact O-CB 3.47Å; A255-K258 PolarHBondContact O-N 3.16Å; A255-V259 WeakPolarHBondContact O-CG2 3.41Å; A255-V259 PolarHBondContact O-N 3.17Å
256M85.1Confident87.6Confident31 Ų3173.6 Ų73.615%0.15337%0.373CS..Hα-helixtrans-68.2-36.8178.2-72.5-45.6105.500112.8I36 M40 I252 R253 K258 V259 N260I36-M256 HydrophobicContact CD1-SD 4.21Å; I36-M256 HydrophobicContact CG1-SD 4.32Å; I36-M256 HydrophobicContact CG2-CB 3.57Å; I36-M256 HydrophobicContact CG2-CG 3.68Å; I36-M256 HydrophobicContact CG2-SD 3.72Å; M40-M256 HydrophobicContact CE-CE 3.86Å; M40-M256 HydrophobicContact CE-CG 3.96Å; M40-M256 HydrophobicContact CE-SD 3.57Å; M40-M256 VanDerWaalsContact CE-SD 3.57Å; M40-M256 HydrophobicContact SD-CG 4.1Å; M40-M256 HydrophobicContact SD-SD 3.57Å; I252-M256 HydrophobicContact CG2-CG 4.27Å; I252-M256 WeakPolarHBondContact O-CB 3.46Å; I252-M256 VanDerWaalsContact O-CG 3.31Å; I252-M256 WeakPolarHBondContact O-CG 3.16Å; I252-M256 PolarHBondContact O-N 2.88Å; R253-M256 PolarHBondContact O-N 3.14Å; R253-M256 VanDerWaalsContact O-N 3.09Å; M256-K258 VanDerWaalsContact C-N 3.32Å; M256-K258 PolarHBondContact O-N 3.37Å; M256-V259 HydrophobicContact CE-CG2 4.5Å; M256-V259 PolarHBondContact O-N 3.36Å; M256-N260 WeakPolarHBondContact O-CB 3.47Å; M256-N260 VanDerWaalsContact O-CG 3.26Å; M256-N260 PolarHBondContact O-N 3.28Å; M256-N260 PolarHBondContact O-ND2 2.98Å
257D88Confident87.9Confident88 Ų8871.7 Ų71.747%0.47137%0.367SS..Hα-helixtrans-64.3-37.7173.2-71.2-31.1000111.1R253 N260 Q261R253-D257 PolarHBondContact O-N 3.31Å; D257-N260 PolarHBondContact O-N 3.41Å; D257-Q261 WeakPolarHBondContact O-CB 3.45Å; D257-Q261 PolarHBondContact O-N 3.11Å
258K90.5Very high88.2Confident117 Ų11772.1 Ų72.151%0.50937%0.369SS..Hα-helixtrans-66.4-38.6170.9-69.8162.8-171.7160.80112.7S254 A255 M256 Q261 I262S254-K258 WeakPolarHBondContact O-CD 3.31Å; S254-K258 VanDerWaalsContact O-CG 3.27Å; S254-K258 WeakPolarHBondContact O-CG 3.21Å; S254-K258 PolarHBondContact O-N 3.09Å; S254-K258 PolarHBondContact OG-NZ 2.83Å; A255-K258 WeakPolarHBondContact O-CB 3.47Å; A255-K258 PolarHBondContact O-N 3.16Å; M256-K258 VanDerWaalsContact C-N 3.32Å; M256-K258 PolarHBondContact O-N 3.37Å; K258-Q261 WeakPolarHBondContact O-CB 3.31Å; K258-Q261 PolarHBondContact O-N 3.32Å; K258-I262 VanDerWaalsContact O-CG1 3.31Å; K258-I262 WeakPolarHBondContact O-CG1 3.35Å; K258-I262 PolarHBondContact O-N 3Å
259V88.9Confident88.5Confident46 Ų4671.7 Ų71.728%0.27937%0.369SS..Hα-helixtrans-65.5-42.1174.2172.20000111I36 A255 M256 Q261 I262 F263I36-V259 HydrophobicContact CD1-CB 4.35Å; I36-V259 HydrophobicContact CD1-CG1 3.57Å; A255-V259 WeakPolarHBondContact O-CG2 3.41Å; A255-V259 PolarHBondContact O-N 3.17Å; M256-V259 HydrophobicContact CE-CG2 4.5Å; M256-V259 PolarHBondContact O-N 3.36Å; V259-Q261 VanDerWaalsContact C-N 3.33Å; V259-Q261 PolarHBondContact O-N 3.49Å; V259-I262 WeakPolarHBondContact O-CB 3.44Å; V259-I262 PolarHBondContact O-N 3.39Å; V259-F263 HydrophobicContact CG1-CD2 4.38Å; V259-F263 HydrophobicContact CG1-CE1 4.19Å; V259-F263 HydrophobicContact CG1-CE2 3.93Å; V259-F263 HydrophobicContact CG1-CZ 3.82Å; V259-F263 WeakPolarHBondContact O-CG 3.46Å; V259-F263 PolarHBondContact O-N 3.1Å
260N87.9Confident88.6Confident19 Ų1971.3 Ų71.310%0.10237%0.37CS..Hα-helixtrans-64.5-36.5174.2-70.4-27.3000111.9S33 Q37 M256 D257 F263 G264S33-N260 PolarHBondContact OG-OD1 3.37Å; Q37-N260 PolarHBondContact NE2-ND2 3.41Å; M256-N260 WeakPolarHBondContact O-CB 3.47Å; M256-N260 VanDerWaalsContact O-CG 3.26Å; M256-N260 PolarHBondContact O-N 3.28Å; M256-N260 PolarHBondContact O-ND2 2.98Å; D257-N260 PolarHBondContact O-N 3.41Å; N260-F263 PolarHBondContact O-N 3.48Å; N260-G264 PolarHBondContact O-N 2.81Å
261Q90.5Very high88.7Confident100 Ų10070 Ų7047%0.46737%0.367SS..Hα-helixtrans-63.9-41.5171.7-170.2-174.1-2.800111.6D257 K258 V259 G264 Y265D257-Q261 WeakPolarHBondContact O-CB 3.45Å; D257-Q261 PolarHBondContact O-N 3.11Å; K258-Q261 WeakPolarHBondContact O-CB 3.31Å; K258-Q261 PolarHBondContact O-N 3.32Å; V259-Q261 VanDerWaalsContact C-N 3.33Å; V259-Q261 PolarHBondContact O-N 3.49Å; Q261-G264 WeakPolarHBondContact O-CA 3.34Å; Q261-G264 PolarHBondContact O-N 3Å; Q261-G264 VanDerWaalsContact O-N 3.17Å; Q261-Y265 HydrophobicContact CG-CD2 4.25Å; Q261-Y265 HydrophobicContact CG-CE2 3.63Å; Q261-Y265 PolarHBondContact NE2-OH 3.01Å; Q261-Y265 VanDerWaalsContact O-CD2 3.28Å; Q261-Y265 WeakPolarHBondContact O-CD2 3.36Å; Q261-Y265 PolarHBondContact O-N 3.14Å
262I91.6Very high88.8Confident94 Ų9469 Ų6948%0.48236%0.358SS..Hα-helixtrans-62.6-42.8172.6-69.2163000110.9K258 V259 G264 Y265 L266K258-I262 VanDerWaalsContact O-CG1 3.31Å; K258-I262 WeakPolarHBondContact O-CG1 3.35Å; K258-I262 PolarHBondContact O-N 3Å; V259-I262 WeakPolarHBondContact O-CB 3.44Å; V259-I262 PolarHBondContact O-N 3.39Å; I262-G264 VanDerWaalsContact C-N 3.29Å; I262-G264 PolarHBondContact O-N 3.47Å; I262-Y265 PolarHBondContact O-N 3.5Å; I262-L266 HydrophobicContact CG2-CD1 4.24Å; I262-L266 HydrophobicContact CG2-CG 4.45Å; I262-L266 WeakPolarHBondContact O-CG 3.39Å; I262-L266 PolarHBondContact O-N 2.96Å
263F90.2Very high88.7Confident37 Ų3772.9 Ų72.916%0.16238%0.375CS..Hα-helixtrans-61.5-37.6172.3-67.8-17.4000112L29 L32 I36 V259 N260 L266 V267L29-F263 HydrophobicContact CD2-CD1 4.07Å; L32-F263 HydrophobicContact CB-CE2 3.78Å; L32-F263 HydrophobicContact CB-CZ 4.02Å; I36-F263 HydrophobicContact CD1-CE2 3.69Å; I36-F263 HydrophobicContact CD1-CZ 4.34Å; V259-F263 HydrophobicContact CG1-CD2 4.38Å; V259-F263 HydrophobicContact CG1-CE1 4.19Å; V259-F263 HydrophobicContact CG1-CE2 3.93Å; V259-F263 HydrophobicContact CG1-CZ 3.82Å; V259-F263 WeakPolarHBondContact O-CG 3.46Å; V259-F263 PolarHBondContact O-N 3.1Å; N260-F263 PolarHBondContact O-N 3.48Å; F263-L266 HydrophobicContact CD1-CD1 4.35Å; F263-L266 PolarHBondContact O-N 3.33Å; F263-V267 WeakPolarHBondContact O-CG2 3.42Å; F263-V267 PolarHBondContact O-N 3.31Å
264G89.5Confident88.7Confident40 Ų4068.5 Ų68.541%0.41236%0.361SS..Hα-helixtrans-59.5-46.517100000112.8N260 Q261 I262 V267 F268N260-G264 PolarHBondContact O-N 2.81Å; Q261-G264 WeakPolarHBondContact O-CA 3.34Å; Q261-G264 PolarHBondContact O-N 3Å; Q261-G264 VanDerWaalsContact O-N 3.17Å; I262-G264 VanDerWaalsContact C-N 3.29Å; I262-G264 PolarHBondContact O-N 3.47Å; G264-V267 PolarHBondContact O-N 3.25Å; G264-F268 WeakPolarHBondContact O-CB 3.27Å; G264-F268 PolarHBondContact O-N 2.73Å
265Y92.4Very high88.7Confident136 Ų13668.1 Ų68.153%0.53336%0.357SS..Hα-helixtrans-65-37.4174.2-66.6-49.2000112.6Q261 I262 F268 L269Q261-Y265 HydrophobicContact CG-CD2 4.25Å; Q261-Y265 HydrophobicContact CG-CE2 3.63Å; Q261-Y265 PolarHBondContact NE2-OH 3.01Å; Q261-Y265 VanDerWaalsContact O-CD2 3.28Å; Q261-Y265 WeakPolarHBondContact O-CD2 3.36Å; Q261-Y265 PolarHBondContact O-N 3.14Å; I262-Y265 PolarHBondContact O-N 3.5Å; Y265-F268 PolarHBondContact O-N 3.31Å; Y265-L269 WeakPolarHBondContact O-CB 3.48Å; Y265-L269 VanDerWaalsContact O-CG 3.24Å; Y265-L269 WeakPolarHBondContact O-CG 3.43Å; Y265-L269 PolarHBondContact O-N 2.95Å
266L90.4Very high88.7Confident75 Ų7571.5 Ų71.539%0.39337%0.369SS..Hα-helixtrans-67-41.6174.7-71175.3000111.9L29 I262 F263 L269 T270L29-L266 HydrophobicContact CD1-CB 3.96Å; L29-L266 HydrophobicContact CD2-CB 4.38Å; L29-L266 HydrophobicContact CD2-CD1 4.22Å; I262-L266 HydrophobicContact CG2-CD1 4.24Å; I262-L266 HydrophobicContact CG2-CG 4.45Å; I262-L266 WeakPolarHBondContact O-CG 3.39Å; I262-L266 PolarHBondContact O-N 2.96Å; F263-L266 HydrophobicContact CD1-CD1 4.35Å; F263-L266 PolarHBondContact O-N 3.33Å; L266-L269 PolarHBondContact O-N 3.45Å; L266-T270 WeakPolarHBondContact O-CG2 3.24Å; L266-T270 PolarHBondContact O-N 3.38Å; L266-T270 PolarHBondContact O-OG1 3.14Å
267V88.9Confident88.7Confident33 Ų3371.6 Ų71.620%0.238%0.378CS..Hα-helixtrans-58.8-50.5171.7166.80000109.8V26 L29 F263 G264 L269 T270 C271V26-V267 HydrophobicContact CG1-CG1 4.27Å; V26-V267 HydrophobicContact CG1-CG2 4.38Å; V26-V267 HydrophobicContact CG2-CG1 4.19Å; V26-V267 HydrophobicContact CG2-CG2 4.48Å; L29-V267 HydrophobicContact CB-CG2 3.93Å; L29-V267 HydrophobicContact CD1-CG2 3.8Å; F263-V267 WeakPolarHBondContact O-CG2 3.42Å; F263-V267 PolarHBondContact O-N 3.31Å; G264-V267 PolarHBondContact O-N 3.25Å; V267-L269 VanDerWaalsContact C-N 3.35Å; V267-L269 PolarHBondContact O-N 3.47Å; V267-T270 PolarHBondContact O-N 3.48Å; V267-T270 PolarHBondContact O-OG1 3.11Å; V267-C271 PolarHBondContact O-N 2.84Å; V267-C271 PolarHBondContact O-SG 3.07Å; V267-C271 VanDerWaalsContact O-SG 3.39Å
268F89.7Confident88.7Confident132 Ų13267.5 Ų67.558%0.57936%0.356SS*.Hα-helixtrans-56-45.7176.1179.5-98.3000112.5G264 Y265 C271 L272G264-F268 WeakPolarHBondContact O-CB 3.27Å; G264-F268 PolarHBondContact O-N 2.73Å; Y265-F268 PolarHBondContact O-N 3.31Å; F268-C271 CarbonylContact O-C 3.56Å; F268-C271 PolarHBondContact O-N 3.38Å; F268-L272 HydrophobicContact CE1-CD2 4.26Å; F268-L272 WeakPolarHBondContact O-CB 3.33Å; F268-L272 PolarHBondContact O-N 2.9Å
269L89.6Confident88.6Confident81 Ų8163.2 Ų63.242%0.42434%0.343SS..Hα-helixtrans-64.2-40.2177-73.9169000112.4Y265 L266 V267 C271 L272 Q273Y265-L269 WeakPolarHBondContact O-CB 3.48Å; Y265-L269 VanDerWaalsContact O-CG 3.24Å; Y265-L269 WeakPolarHBondContact O-CG 3.43Å; Y265-L269 PolarHBondContact O-N 2.95Å; L266-L269 PolarHBondContact O-N 3.45Å; V267-L269 VanDerWaalsContact C-N 3.35Å; V267-L269 PolarHBondContact O-N 3.47Å; L269-C271 VanDerWaalsContact C-N 3.33Å; L269-C271 PolarHBondContact O-N 2.84Å; L269-L272 PolarHBondContact O-N 3.05Å; L269-Q273 WeakPolarHBondContact O-CB 3.34Å; L269-Q273 VanDerWaalsContact O-CG 3.23Å; L269-Q273 WeakPolarHBondContact O-CG 3.41Å; L269-Q273 PolarHBondContact O-N 2.95Å
270T86.5Confident88.5Confident25 Ų2567 Ų6715%0.15336%0.356CS..Hα-helixtrans-67.5-33.1174.660.50000112.7L266 V267 L274L266-T270 WeakPolarHBondContact O-CG2 3.24Å; L266-T270 PolarHBondContact O-N 3.38Å; L266-T270 PolarHBondContact O-OG1 3.14Å; V267-T270 PolarHBondContact O-N 3.48Å; V267-T270 PolarHBondContact O-OG1 3.11Å; T270-L274 PolarHBondContact O-N 3.24Å
271C87.4Confident88.4Confident65 Ų6566.9 Ų66.944%0.43935%0.354SS..Hα-helixtrans-70.6-34172.1-70.60000112.4V267 F268 L269 L274 P275V267-C271 PolarHBondContact O-N 2.84Å; V267-C271 PolarHBondContact O-SG 3.07Å; V267-C271 VanDerWaalsContact O-SG 3.39Å; F268-C271 CarbonylContact O-C 3.56Å; F268-C271 PolarHBondContact O-N 3.38Å; L269-C271 VanDerWaalsContact C-N 3.33Å; L269-C271 PolarHBondContact O-N 2.84Å; C271-L274 WeakPolarHBondContact O-CB 3.47Å; C271-P275 WeakPolarHBondContact O-CD 3.48Å
272L88Confident88.3Confident80 Ų8062.1 Ų62.142%0.41933%0.332SS..Hα-helixtrans-75.1-34.3175-175.363.2000112.4F268 L269 L274 P275 L276F268-L272 HydrophobicContact CE1-CD2 4.26Å; F268-L272 WeakPolarHBondContact O-CB 3.33Å; F268-L272 PolarHBondContact O-N 2.9Å; L269-L272 PolarHBondContact O-N 3.05Å; L272-L274 VanDerWaalsContact C-N 3.25Å; L272-L274 PolarHBondContact O-N 3.39Å; L272-P275 VanDerWaalsContact O-CD 3.28Å; L272-P275 WeakPolarHBondContact O-CD 3.28Å; L272-P275 WeakPolarHBondContact O-CG 3.35Å; L272-L276 HydrophobicContact CG-CD1 4.18Å; L272-L276 WeakPolarHBondContact O-CD1 3.49Å; L272-L276 WeakPolarHBondContact O-CG 3.46Å
273Q84.7Confident88.1Confident124 Ų12461.9 Ų61.958%0.57933%0.325SS*.Hα-helixtrans-67.9-22.3173.6-76.2172.81.700113.2L269 G277L269-Q273 WeakPolarHBondContact O-CB 3.34Å; L269-Q273 VanDerWaalsContact O-CG 3.23Å; L269-Q273 WeakPolarHBondContact O-CG 3.41Å; L269-Q273 PolarHBondContact O-N 2.95Å; Q273-G277 WeakPolarHBondContact O-CA 3.43Å; Q273-G277 PolarHBondContact O-N 3.49Å
274L85.5Confident87.8Confident25 Ų2565.5 Ų65.513%0.13134%0.338CS..Hα-helixtrans-61.8-56.9179177.368.4000113.3M14 V17 V18 T22 T270 C271 L272 A278M14-L274 HydrophobicContact CB-CD1 3.98Å; M14-L274 HydrophobicContact CB-CD2 4.23Å; M14-L274 HydrophobicContact CB-CG 4.03Å; M14-L274 HydrophobicContact CG-CD1 4.11Å; M14-L274 HydrophobicContact CG-CD2 4.35Å; M14-L274 HydrophobicContact CG-CG 3.82Å; M14-L274 HydrophobicContact SD-CD2 3.99Å; M14-L274 HydrophobicContact SD-CG 3.8Å; V17-L274 HydrophobicContact CB-CD1 3.86Å; V17-L274 HydrophobicContact CG1-CD1 3.57Å; V18-L274 HydrophobicContact CG2-CD1 4Å; V18-L274 HydrophobicContact CG2-CD2 3.48Å; V18-L274 VanDerWaalsContact CG2-CD2 3.48Å; V18-L274 HydrophobicContact CG2-CG 4.38Å; T22-L274 HydrophobicContact CG2-CB 4.4Å; T22-L274 HydrophobicContact CG2-CD1 4.16Å; T270-L274 PolarHBondContact O-N 3.24Å; C271-L274 WeakPolarHBondContact O-CB 3.47Å; L272-L274 VanDerWaalsContact C-N 3.25Å; L272-L274 PolarHBondContact O-N 3.39Å; L274-A278 WeakPolarHBondContact O-CB 3.45Å; L274-A278 PolarHBondContact O-N 3.13Å; L274-A278 VanDerWaalsContact O-N 3.08Å
275P88.3Confident87.5Confident43 Ų4363.6 Ų63.628%0.27932%0.318SS..Hα-helixtrans-65.8-42.3176.125.2-34.1000112.2M14 C271 L272 G277 A278 A279M14-P275 HydrophobicContact CE-CB 3.65Å; M14-P275 HydrophobicContact SD-CB 4.13Å; C271-P275 WeakPolarHBondContact O-CD 3.48Å; L272-P275 VanDerWaalsContact O-CD 3.28Å; L272-P275 WeakPolarHBondContact O-CD 3.28Å; L272-P275 WeakPolarHBondContact O-CG 3.35Å; P275-G277 PolarHBondContact O-N 3.35Å; P275-A278 PolarHBondContact O-N 3.33Å; P275-A279 WeakPolarHBondContact O-CB 3.31Å; P275-A279 PolarHBondContact O-N 3.17Å
276L88.5Confident87Confident110 Ų11057.5 Ų57.558%0.57630%0.295SS*.Hα-helixtrans-62.1-43.7179.8-64.3174.5000111.7L272 A278 A279 F280L272-L276 HydrophobicContact CG-CD1 4.18Å; L272-L276 WeakPolarHBondContact O-CD1 3.49Å; L272-L276 WeakPolarHBondContact O-CG 3.46Å; L276-A278 VanDerWaalsContact C-N 3.34Å; L276-A278 PolarHBondContact O-N 3.48Å; L276-A279 PolarHBondContact O-N 2.91Å; L276-F280 VanDerWaalsContact O-CB 3.3Å; L276-F280 WeakPolarHBondContact O-CB 3.37Å; L276-F280 PolarHBondContact O-N 2.75Å
277G86.4Confident86.5Confident34 Ų3457 Ų5735%0.35130%0.298SS..Hα-helixtrans-71.1-25.1176.500000114.1Q273 P275 Y281Q273-G277 WeakPolarHBondContact O-CA 3.43Å; Q273-G277 PolarHBondContact O-N 3.49Å; P275-G277 PolarHBondContact O-N 3.35Å; G277-Y281 VanDerWaalsContact O-CB 3.24Å; G277-Y281 WeakPolarHBondContact O-CB 3.49Å; G277-Y281 PolarHBondContact O-N 2.91Å
278A87Confident85.8Confident2 Ų256.2 Ų56.22%0.01729%0.294CS..Hα-helixtrans-76.1-43.3171.300000111.7V10 I13 M14 L274 P275 L276 Y281 L282V10-A278 HydrophobicContact CG1-CB 3.95Å; I13-A278 HydrophobicContact CB-CB 4.12Å; I13-A278 HydrophobicContact CG2-CB 3.79Å; M14-A278 HydrophobicContact CG-CB 3.89Å; L274-A278 WeakPolarHBondContact O-CB 3.45Å; L274-A278 PolarHBondContact O-N 3.13Å; L274-A278 VanDerWaalsContact O-N 3.08Å; P275-A278 PolarHBondContact O-N 3.33Å; L276-A278 VanDerWaalsContact C-N 3.34Å; L276-A278 PolarHBondContact O-N 3.48Å; A278-Y281 PolarHBondContact O-N 2.99Å; A278-L282 PolarHBondContact O-N 3.32Å
279A88.3Confident85.3Confident27 Ų2751.9 Ų51.922%0.22328%0.277CS..Hα-helixtrans-62.5-49.6173.600000111.8V10 P275 L276 Y281 L282 Y283V10-A279 HydrophobicContact CG2-CB 4.23Å; P275-A279 WeakPolarHBondContact O-CB 3.31Å; P275-A279 PolarHBondContact O-N 3.17Å; L276-A279 PolarHBondContact O-N 2.91Å; A279-Y281 VanDerWaalsContact C-N 3.28Å; A279-Y281 PolarHBondContact O-N 3.43Å; A279-L282 CarbonylContact O-C 3.54Å; A279-L282 WeakPolarHBondContact O-CA 3.32Å; A279-L282 WeakPolarHBondContact O-CB 3.31Å; A279-L282 PolarHBondContact O-N 3.14Å; A279-Y283 PolarHBondContact O-N 3.38Å
280F87.2Confident84.6Confident124 Ų12454.2 Ų54.254%0.54429%0.286SS..Hα-helixtrans-61.9-33.8176.4-177.5-112.5000113L276 R284L276-F280 VanDerWaalsContact O-CB 3.3Å; L276-F280 WeakPolarHBondContact O-CB 3.37Å; L276-F280 PolarHBondContact O-N 2.75Å; F280-R284 HydrophobicContact CE1-CG 4.32Å; F280-R284 HydrophobicContact CE2-CG 4.31Å; F280-R284 HydrophobicContact CZ-CG 4.16Å; F280-R284 WeakPolarHBondContact O-CB 3.21Å; F280-R284 WeakPolarHBondContact O-CG 3.49Å; F280-R284 PolarHBondContact O-N 2.91Å
281Y85.4Confident84.2Confident18 Ų1854.2 Ų54.27%0.07129%0.285CS..Hα-helixtrans-69.1-38.6172.2177.1-97.9000112.2I13 G277 A278 A279 R284 F285 L291 E292 R428 S429 C432I13-Y281 HydrophobicContact CD1-CD1 4.22Å; I13-Y281 HydrophobicContact CG2-CD1 4.06Å; G277-Y281 VanDerWaalsContact O-CB 3.24Å; G277-Y281 WeakPolarHBondContact O-CB 3.49Å; G277-Y281 PolarHBondContact O-N 2.91Å; A278-Y281 PolarHBondContact O-N 2.99Å; A279-Y281 VanDerWaalsContact C-N 3.28Å; A279-Y281 PolarHBondContact O-N 3.43Å; Y281-R284 PolarHBondContact O-N 3.38Å; Y281-F285 VanDerWaalsContact O-CB 3.31Å; Y281-F285 WeakPolarHBondContact O-CB 3.41Å; Y281-F285 PolarHBondContact O-N 2.92Å; Y281-L291 HydrophobicContact CD2-CD2 4.16Å; Y281-L291 HydrophobicContact CE2-CD2 4.02Å; Y281-L291 HydrophobicContact CE2-CG 4.48Å; Y281-E292 PolarHBondContact OH-OE2 3.4Å; Y281-R428 VanDerWaalsContact CB-NH2 3.26Å; Y281-R428 HydrophobicContact CE1-CB 4.24Å; Y281-S429 VanDerWaalsContact OH-CA 3.22Å; Y281-S429 WeakPolarHBondContact OH-CA 3.41Å; Y281-S429 WeakPolarHBondContact OH-CB 3.48Å; Y281-S429 PolarHBondContact OH-N 2.91Å; Y281-C432 VanDerWaalsContact CE1-SG 3.55Å
282L88.4Confident83.6Confident0 Ų052.4 Ų52.40%027%0.27CS..Hα-helixtrans-64.2-47.5172.7175.957.9000111.4P6 C9 V10 I13 A278 A279 R284 F285 M286 Y436 L589P6-L282 HydrophobicContact CB-CD2 4.29Å; C9-L282 HydrophobicContact CB-CD2 4.12Å; V10-L282 HydrophobicContact CG2-CB 4.39Å; V10-L282 HydrophobicContact CG2-CD2 3.85Å; I13-L282 HydrophobicContact CD1-CB 4.18Å; A278-L282 PolarHBondContact O-N 3.32Å; A279-L282 CarbonylContact O-C 3.54Å; A279-L282 WeakPolarHBondContact O-CA 3.32Å; A279-L282 WeakPolarHBondContact O-CB 3.31Å; A279-L282 PolarHBondContact O-N 3.14Å; L282-R284 VanDerWaalsContact C-N 3.33Å; L282-R284 PolarHBondContact O-N 2.86Å; L282-F285 CarbonylContact O-C 3.4Å; L282-F285 WeakPolarHBondContact O-CB 3.44Å; L282-F285 PolarHBondContact O-N 3.29Å; L282-F285 VanDerWaalsContact O-N 3.08Å; L282-M286 HydrophobicContact CD1-CG 4.01Å; L282-M286 HydrophobicContact CG-CG 4.49Å; L282-M286 WeakPolarHBondContact O-CG 3.48Å; L282-M286 PolarHBondContact O-N 3.12Å; L282-Y436 HydrophobicContact CD1-CD2 3.91Å; L282-Y436 HydrophobicContact CD1-CE2 3.56Å; L282-Y436 HydrophobicContact CD2-CE2 4.08Å; L282-Y436 HydrophobicContact CG-CE2 4.43Å; L282-L589 HydrophobicContact CD2-CD1 4.25Å; L282-L589 HydrophobicContact CD2-CD2 4.06Å; L282-L589 HydrophobicContact CG-CD1 4.12Å
283Y87.1Confident83.3Confident89 Ų8949.5 Ų49.535%0.34926%0.255SS..Hα-helixtrans-52-51.6172.7177.8-84.1000110.8A279 F285 M286 S287 I586 L589A279-Y283 PolarHBondContact O-N 3.38Å; Y283-F285 VanDerWaalsContact C-N 3.33Å; Y283-F285 PolarHBondContact O-N 3.45Å; Y283-M286 CarbonylContact O-C 3.52Å; Y283-M286 WeakPolarHBondContact O-CA 3.43Å; Y283-M286 PolarHBondContact O-N 2.91Å; Y283-M286 VanDerWaalsContact O-N 3.08Å; Y283-S287 PolarHBondContact O-N 3.21Å; Y283-S287 PolarHBondContact O-OG 3.3Å; Y283-I586 HydrophobicContact CE2-CG2 4.1Å; Y283-L589 HydrophobicContact CD2-CB 4.37Å
284R83.6Confident83Confident112 Ų11245.8 Ų45.842%0.42324%0.236SC..Hα-helixtrans-65.2-31.9177.3-72.3-170.866.1176.72.8113.6F280 Y281 L282 M286 S287 A288 L291F280-R284 HydrophobicContact CE1-CG 4.32Å; F280-R284 HydrophobicContact CE2-CG 4.31Å; F280-R284 HydrophobicContact CZ-CG 4.16Å; F280-R284 WeakPolarHBondContact O-CB 3.21Å; F280-R284 WeakPolarHBondContact O-CG 3.49Å; F280-R284 PolarHBondContact O-N 2.91Å; Y281-R284 PolarHBondContact O-N 3.38Å; L282-R284 VanDerWaalsContact C-N 3.33Å; L282-R284 PolarHBondContact O-N 2.86Å; R284-M286 VanDerWaalsContact C-N 3.32Å; R284-S287 PolarHBondContact O-N 3.32Å; R284-A288 WeakPolarHBondContact O-CB 3.34Å; R284-A288 PolarHBondContact O-N 2.94Å; R284-L291 HydrophobicContact CB-CD2 3.86Å
285F84.5Confident82.8Confident0 Ų045.4 Ų45.40%023%0.233CC..Hα-helixtrans-68.3-32.5173-177.1-84.1000111.8Y281 L282 Y283 L291 C432 E433 R439Y281-F285 VanDerWaalsContact O-CB 3.31Å; Y281-F285 WeakPolarHBondContact O-CB 3.41Å; Y281-F285 PolarHBondContact O-N 2.92Å; L282-F285 CarbonylContact O-C 3.4Å; L282-F285 WeakPolarHBondContact O-CB 3.44Å; L282-F285 PolarHBondContact O-N 3.29Å; L282-F285 VanDerWaalsContact O-N 3.08Å; Y283-F285 VanDerWaalsContact C-N 3.33Å; Y283-F285 PolarHBondContact O-N 3.45Å; F285-L291 HydrophobicContact CB-CD2 4.12Å; F285-C432 HydrophobicContact CD1-CB 3.64Å; F285-C432 HydrophobicContact CD2-CB 3.63Å; F285-C432 HydrophobicContact CE1-CB 3.52Å; F285-C432 HydrophobicContact CE2-CB 3.51Å; F285-C432 HydrophobicContact CG-CB 3.71Å; F285-C432 HydrophobicContact CZ-CB 3.46Å; F285-C432 VanDerWaalsContact CZ-CB 3.46Å; F285-E433 HydrophobicContact CE2-CG 4.27Å; F285-E433 HydrophobicContact CZ-CG 3.83Å; F285-R439 HydrophobicContact CD1-CG 4.42Å; F285-R439 HydrophobicContact CE1-CB 3.85Å; F285-R439 HydrophobicContact CE1-CG 3.98Å; F285-R439 HydrophobicContact CZ-CB 4.46Å
286M82.4Confident82.5Confident9 Ų944.2 Ų44.24%0.04422%0.224CC..Hα-helixtrans-80-17.9174.5-66.8-65.9-79.300113.3L282 Y283 R284 Y436 R439L282-M286 HydrophobicContact CD1-CG 4.01Å; L282-M286 HydrophobicContact CG-CG 4.49Å; L282-M286 WeakPolarHBondContact O-CG 3.48Å; L282-M286 PolarHBondContact O-N 3.12Å; Y283-M286 CarbonylContact O-C 3.52Å; Y283-M286 WeakPolarHBondContact O-CA 3.43Å; Y283-M286 PolarHBondContact O-N 2.91Å; Y283-M286 VanDerWaalsContact O-N 3.08Å; R284-M286 VanDerWaalsContact C-N 3.32Å; M286-Y436 HydrophobicContact CE-CD1 3.75Å; M286-Y436 HydrophobicContact CE-CE1 3.8Å; M286-Y436 HydrophobicContact SD-CD1 3.74Å; M286-Y436 HydrophobicContact SD-CE1 4.12Å; M286-Y436 HydrophobicContact SD-CG 3.97Å; M286-R439 VanDerWaalsContact O-CZ 3.25Å; M286-R439 PolarHBondContact O-NH1 3.29Å; M286-R439 PolarHBondContact O-NH2 2.94Å; M286-R439 HydrophobicContact SD-CG 3.7Å
287S78.7Confident82.3Confident65 Ų6540 Ų4046%0.45520%0.203SC..Hα-helixtrans-100.7-30.8176.1-59.20000114.1Y283 R284Y283-S287 PolarHBondContact O-N 3.21Å; Y283-S287 PolarHBondContact O-OG 3.3Å; R284-S287 PolarHBondContact O-N 3.32Å
288A75.7Confident82.2Confident15 Ų1543.8 Ų43.812%0.12422%0.215CC..  trans-124.6102.8-17000000113.9R284 H290 L291R284-A288 WeakPolarHBondContact O-CB 3.34Å; R284-A288 PolarHBondContact O-N 2.94Å; A288-H290 PolarHBondContact O-N 2.87Å; A288-H290 VanDerWaalsContact O-N 3.13Å; A288-L291 HydrophobicContact CB-CB 4.29Å; A288-L291 VanDerWaalsContact O-CB 3.29Å; A288-L291 WeakPolarHBondContact O-CB 3.44Å; A288-L291 PolarHBondContact O-N 2.85Å
289D78.4Confident82Confident41 Ų4150.6 Ų50.622%0.21924%0.241CC..THydrogen-bonded Turntrans-64.5-18178.1-70.3-40.7000114.2N293 R439 R443 N446D289-N293 WeakPolarHBondContact O-CB 3.37Å; D289-N293 PolarHBondContact O-ND2 2.81Å; D289-R439 IonicContact OD1-CZ 2.73Å; D289-R439 IonicContact OD1-NE 2.73Å; D289-R439 IonicContact OD1-NH2 3.59Å; D289-R439 PolarHBondContact OD1-NH2 3.41Å; D289-R439 IonicContact OD2-NH2 3.54Å; D289-R443 HydrophobicContact CB-CG 4.1Å; D289-R443 WeakPolarHBondContact OD1-CG 3.23Å; D289-N446 HydrophobicContact CB-CB 4Å; D289-N446 PolarHBondContact O-OD1 3.03Å
290H73.6Confident82Confident130 Ų13049.3 Ų49.360%0.60223%0.23SC*.THydrogen-bonded Turntrans-80.7-11.7174.765.4-101.8000113.7A288 E292 N293A288-H290 PolarHBondContact O-N 2.87Å; A288-H290 VanDerWaalsContact O-N 3.13Å; H290-E292 PolarHBondContact O-N 3.12Å; H290-E292 VanDerWaalsContact O-N 3.17Å; H290-N293 PolarHBondContact O-N 3.17Å; H290-N293 VanDerWaalsContact O-N 3.15Å
291L78.3Confident81.8Confident25 Ų2548 Ų4813%0.13122%0.224CC..THydrogen-bonded Turntrans-65.5115.4-173.3-175.870.9000111.5Y281 R284 F285 A288 N293 R443Y281-L291 HydrophobicContact CD2-CD2 4.16Å; Y281-L291 HydrophobicContact CE2-CD2 4.02Å; Y281-L291 HydrophobicContact CE2-CG 4.48Å; R284-L291 HydrophobicContact CB-CD2 3.86Å; F285-L291 HydrophobicContact CB-CD2 4.12Å; A288-L291 HydrophobicContact CB-CB 4.29Å; A288-L291 VanDerWaalsContact O-CB 3.29Å; A288-L291 WeakPolarHBondContact O-CB 3.44Å; A288-L291 PolarHBondContact O-N 2.85Å; L291-N293 PolarHBondContact O-N 3.18Å; L291-R443 VanDerWaalsContact O-CZ 3.31Å; L291-R443 PolarHBondContact O-NH1 3.37Å; L291-R443 PolarHBondContact O-NH2 3.03Å
292E75.4Confident81.8Confident28 Ų2848.8 Ų48.813%0.13124%0.238CC..THydrogen-bonded Turntrans51.620.8-172.8-59.5-162.5124.800114.5Y281 H290 Y294 F295 K342 S429Y281-E292 PolarHBondContact OH-OE2 3.4Å; H290-E292 PolarHBondContact O-N 3.12Å; H290-E292 VanDerWaalsContact O-N 3.17Å; E292-Y294 HydrophobicContact CB-CE1 4.33Å; E292-Y294 PolarHBondContact O-N 3.05Å; E292-F295 HydrophobicContact CB-CE2 4.38Å; E292-F295 VanDerWaalsContact O-CD2 3.32Å; E292-F295 WeakPolarHBondContact O-CD2 3.26Å; E292-K342 IonicContact OE1-NZ 2.82Å; E292-K342 PolarHBondContact OE1-NZ 3.34Å; E292-S429 WeakPolarHBondContact OE2-CB 3.42Å
293N81.1Confident81.7Confident19 Ų1951 Ų5110%0.10225%0.248CC..THydrogen-bonded Turntrans-86.961.5-174.8-164.722.6000111.6D289 H290 L291 R443 N446D289-N293 WeakPolarHBondContact O-CB 3.37Å; D289-N293 PolarHBondContact O-ND2 2.81Å; H290-N293 PolarHBondContact O-N 3.17Å; H290-N293 VanDerWaalsContact O-N 3.15Å; L291-N293 PolarHBondContact O-N 3.18Å; N293-R443 PolarHBondContact ND2-O 2.95Å; N293-N446 PolarHBondContact ND2-OD1 2.73Å
294Y79.4Confident81.7Confident46 Ų4647 Ų4718%0.1823%0.232CC..THydrogen-bonded Turntrans-131.26.5175.856.7-99.4000113E292 F326 I327 T335E292-Y294 HydrophobicContact CB-CE1 4.33Å; E292-Y294 PolarHBondContact O-N 3.05Å; Y294-F326 WeakPolarHBondContact O-CA 3.38Å; Y294-I327 PolarHBondContact O-N 3.39Å; Y294-T335 HydrophobicContact CE2-CG2 4.43Å
295F81.5Confident81.9Confident16 Ų1646.9 Ų46.97%0.0724%0.236CC..EExtended strand (participates in β ladder)trans-89.8119.8178.6-65.4-66.3000111.6E292 T297 I327 R329E292-F295 HydrophobicContact CB-CE2 4.38Å; E292-F295 VanDerWaalsContact O-CD2 3.32Å; E292-F295 WeakPolarHBondContact O-CD2 3.26Å; F295-T297 PolarHBondContact O-N 3.47Å; F295-I327 CarbonylContact C-O 3.27Å; F295-I327 WeakPolarHBondContact CA-O 3.25Å; F295-I327 HydrophobicContact CD1-CD1 4.48Å; F295-I327 HydrophobicContact CD1-CG1 4.01Å; F295-I327 HydrophobicContact CE1-CD1 4.11Å; F295-I327 HydrophobicContact CE1-CG1 4.13Å; F295-R329 HydrophobicContact CB-CB 4.16Å; F295-R329 HydrophobicContact CB-CG 4.3Å; F295-R329 HydrophobicContact CD1-CB 4.27Å; F295-R329 HydrophobicContact CD1-CG 4.18Å; F295-R329 HydrophobicContact CG-CB 4.38Å; F295-R329 HydrophobicContact CG-CG 4.16Å
296L82.3Confident81.9Confident19 Ų1950.8 Ų50.810%0.09926%0.257CS..EExtended strand (participates in β ladder)trans-73.3120171-58166.9000108.3F300 F316 L318 F326 I327 R329 I451L296-F300 HydrophobicContact CD2-CD1 3.97Å; L296-F300 HydrophobicContact CD2-CE1 4.06Å; L296-F316 HydrophobicContact CD2-CZ 4.18Å; L296-L318 HydrophobicContact CD1-CD1 3.38Å; L296-L318 HydrophobicContact CD2-CD1 4.01Å; L296-L318 HydrophobicContact CG-CD1 4.35Å; L296-F326 HydrophobicContact CD1-CB 4.11Å; L296-F326 HydrophobicContact CD2-CB 4.04Å; L296-F326 HydrophobicContact CG-CB 4.01Å; L296-I327 PolarHBondContact N-O 3.37Å; L296-R329 PolarHBondContact O-N 3.48Å; L296-I451 HydrophobicContact CD2-CD1 4.44Å
297T84.3Confident81.9Confident21 Ų2151.7 Ų51.713%0.12926%0.262CS..  trans-120.3161.1178.161.70000110.4F295 R299 F300 K301F295-T297 PolarHBondContact O-N 3.47Å; T297-R299 PolarHBondContact O-N 2.64Å; T297-F300 WeakPolarHBondContact O-CA 3.5Å; T297-F300 VanDerWaalsContact O-CB 3.27Å; T297-F300 WeakPolarHBondContact O-CB 3.37Å; T297-F300 PolarHBondContact O-N 3.44Å; T297-F300 PolarHBondContact OG1-N 2.81Å; T297-K301 PolarHBondContact O-N 3.09Å
298D83.6Confident81.9Confident114 Ų11454.7 Ų54.761%0.6127%0.27SS*.Hα-helixtrans-69-25.7177-53.5-76.3000112.2F300 K301 G302D298-F300 VanDerWaalsContact C-N 3.32Å; D298-F300 PolarHBondContact O-N 3.48Å; D298-K301 PolarHBondContact O-N 3.05Å; D298-K301 WeakPolarHBondContact OD1-CD 3.41Å; D298-K301 VanDerWaalsContact OD1-CE 3.3Å; D298-K301 WeakPolarHBondContact OD1-CE 3.43Å; D298-K301 IonicContact OD1-NZ 3.63Å; D298-K301 PolarHBondContact OD1-NZ 2.9Å; D298-G302 PolarHBondContact O-N 3.3Å
299R82.7Confident82.2Confident145 Ų14564 Ų6455%0.54730%0.302SS..Hα-helixtrans-62.1-39166.7-59.3-170.7-171.1-149.43.7111.6T297 F303 L444T297-R299 PolarHBondContact O-N 2.64Å; R299-F303 WeakPolarHBondContact O-CB 3.43Å; R299-F303 PolarHBondContact O-N 3.23Å; R299-L444 HydrophobicContact CB-CD1 4.19Å
300F87.8Confident82.3Confident0 Ų069.2 Ų69.20%032%0.323CS..Hα-helixtrans-65-43.9172.7-176.8-106.5000112L296 T297 D298 G302 F303 D304 A315 F316 L444 L447 H448 I451L296-F300 HydrophobicContact CD2-CD1 3.97Å; L296-F300 HydrophobicContact CD2-CE1 4.06Å; T297-F300 WeakPolarHBondContact O-CA 3.5Å; T297-F300 VanDerWaalsContact O-CB 3.27Å; T297-F300 WeakPolarHBondContact O-CB 3.37Å; T297-F300 PolarHBondContact O-N 3.44Å; T297-F300 PolarHBondContact OG1-N 2.81Å; D298-F300 VanDerWaalsContact C-N 3.32Å; D298-F300 PolarHBondContact O-N 3.48Å; F300-G302 PolarHBondContact O-N 2.83Å; F300-F303 PolarHBondContact O-N 3.2Å; F300-D304 WeakPolarHBondContact O-CB 3.34Å; F300-D304 PolarHBondContact O-N 2.97Å; F300-A315 HydrophobicContact CE1-CB 4.18Å; F300-A315 HydrophobicContact CZ-CB 3.77Å; F300-F316 AromaticContact CD1-CE2 3.56Å; F300-F316 HydrophobicContact CD1-CE2 3.56Å; F300-F316 AromaticContact CD1-CZ 3.84Å; F300-F316 HydrophobicContact CD1-CZ 3.84Å; F300-F316 HydrophobicContact CE1-CD2 4.38Å; F300-F316 AromaticContact CE1-CE2 3.55Å; F300-F316 HydrophobicContact CE1-CE2 3.55Å; F300-F316 AromaticContact CE1-CZ 3.93Å; F300-F316 HydrophobicContact CE1-CZ 3.93Å; F300-L444 HydrophobicContact CB-CD2 3.82Å; F300-L444 HydrophobicContact CD2-CB 4.45Å; F300-L444 HydrophobicContact CD2-CD2 4.01Å; F300-L444 HydrophobicContact CG-CD2 4.42Å; F300-L447 HydrophobicContact CD1-CD2 4.31Å; F300-L447 HydrophobicContact CD2-CB 4.25Å; F300-L447 HydrophobicContact CD2-CD2 3.66Å; F300-L447 HydrophobicContact CD2-CG 3.94Å; F300-L447 HydrophobicContact CE2-CB 3.95Å; F300-L447 HydrophobicContact CE2-CD2 3.91Å; F300-L447 HydrophobicContact CE2-CG 3.65Å; F300-L447 HydrophobicContact CG-CD2 3.89Å; F300-L447 HydrophobicContact CZ-CD2 4.36Å; F300-L447 HydrophobicContact CZ-CG 4.01Å; F300-H448 HydrophobicContact CE2-CB 3.82Å; F300-H448 HydrophobicContact CZ-CB 4.23Å; F300-I451 HydrophobicContact CE1-CD1 3.82Å; F300-I451 HydrophobicContact CZ-CD1 3.62Å
301K84Confident82.3Confident95 Ų9566.6 Ų66.641%0.41333%0.331SS..Hα-helixtrans-57.2-48.1174.7-60.9175.6-171166.10111.9T297 D298 D304 Q305 F316T297-K301 PolarHBondContact O-N 3.09Å; D298-K301 PolarHBondContact O-N 3.05Å; D298-K301 WeakPolarHBondContact OD1-CD 3.41Å; D298-K301 VanDerWaalsContact OD1-CE 3.3Å; D298-K301 WeakPolarHBondContact OD1-CE 3.43Å; D298-K301 IonicContact OD1-NZ 3.63Å; D298-K301 PolarHBondContact OD1-NZ 2.9Å; K301-D304 PolarHBondContact O-N 2.89Å; K301-Q305 WeakPolarHBondContact O-CB 3.43Å; K301-Q305 VanDerWaalsContact O-CG 3.29Å; K301-Q305 WeakPolarHBondContact O-CG 3.42Å; K301-Q305 PolarHBondContact O-N 3.25Å; K301-F316 HydrophobicContact CB-CE2 4.35Å; K301-F316 HydrophobicContact CG-CE2 3.9Å; K301-F316 HydrophobicContact CG-CZ 3.96Å
302G85.8Confident82.1Confident35 Ų3574 Ų7436%0.36136%0.357SS..Hα-helixtrans-67.3-33.9179.500000113.8D298 F300 N306D298-G302 PolarHBondContact O-N 3.3Å; F300-G302 PolarHBondContact O-N 2.83Å; G302-N306 PolarHBondContact O-N 3.29Å; G302-N306 VanDerWaalsContact O-N 3.11Å
303F86.3Confident82Confident48 Ų4875.7 Ų75.721%0.21137%0.365CS..Hα-helixtrans-65.3-45.5171.9176.8-99.9000111.6R299 F300 N306 I307 L444 H448R299-F303 WeakPolarHBondContact O-CB 3.43Å; R299-F303 PolarHBondContact O-N 3.23Å; F300-F303 PolarHBondContact O-N 3.2Å; F303-N306 WeakPolarHBondContact O-CB 3.21Å; F303-N306 PolarHBondContact O-N 3.22Å; F303-N306 VanDerWaalsContact O-N 3.12Å; F303-I307 HydrophobicContact CD1-CD1 3.94Å; F303-I307 HydrophobicContact CE1-CD1 3.39Å; F303-I307 HydrophobicContact CE1-CG1 4.41Å; F303-I307 HydrophobicContact CE2-CD1 4.47Å; F303-I307 HydrophobicContact CZ-CD1 3.7Å; F303-I307 PolarHBondContact O-N 2.93Å; F303-L444 HydrophobicContact CB-CB 4.38Å; F303-L444 HydrophobicContact CB-CD1 3.74Å; F303-L444 HydrophobicContact CD1-CB 3.78Å; F303-L444 HydrophobicContact CD2-CB 4.25Å; F303-L444 HydrophobicContact CD2-CD1 4.38Å; F303-L444 HydrophobicContact CE1-CB 4.02Å; F303-L444 HydrophobicContact CE2-CB 4.47Å; F303-L444 HydrophobicContact CG-CB 3.89Å; F303-L444 HydrophobicContact CG-CD1 4.05Å; F303-L444 HydrophobicContact CZ-CB 4.36Å; F303-H448 HydrophobicContact CE1-CB 3.97Å
304D86.7Confident81.8Confident4 Ų475.7 Ų75.72%0.02137%0.368CS..Hα-helixtrans-63.5-41.7177.6-15662000112.2F300 K301 N306 I307 M308 A315 F316 H448F300-D304 WeakPolarHBondContact O-CB 3.34Å; F300-D304 PolarHBondContact O-N 2.97Å; K301-D304 PolarHBondContact O-N 2.89Å; D304-N306 VanDerWaalsContact C-N 3.28Å; D304-N306 PolarHBondContact O-N 3.05Å; D304-I307 PolarHBondContact O-N 2.85Å; D304-M308 WeakPolarHBondContact O-CB 3.27Å; D304-M308 PolarHBondContact O-N 3.28Å; D304-A315 WeakPolarHBondContact OD1-CB 3.34Å; D304-A315 PolarHBondContact OD1-N 3.29Å; D304-A315 PolarHBondContact OD2-N 3.02Å; D304-F316 HydrophobicContact CB-CD2 4.03Å; D304-F316 HydrophobicContact CB-CE2 4.4Å; D304-F316 WeakPolarHBondContact OD2-CD2 3.27Å; D304-F316 PolarHBondContact OD2-N 2.76Å; D304-H448 IonicContact OD1-CE1 3.75Å; D304-H448 PolarHBondContact OD1-CE1 2.85Å; D304-H448 VanDerWaalsContact OD1-CE1 3.26Å; D304-H448 IonicContact OD1-ND1 2.72Å; D304-H448 PolarHBondContact OD1-ND1 3.04Å
305Q86.7Confident81.9Confident110 Ų11073.5 Ų73.551%0.51436%0.359SS..Hα-helixtrans-61.3-33.1172.2-74.3171.2-1400113K301 R309K301-Q305 WeakPolarHBondContact O-CB 3.43Å; K301-Q305 VanDerWaalsContact O-CG 3.29Å; K301-Q305 WeakPolarHBondContact O-CG 3.42Å; K301-Q305 PolarHBondContact O-N 3.25Å; Q305-R309 WeakPolarHBondContact O-CB 3.38Å; Q305-R309 VanDerWaalsContact O-CG 3.27Å; Q305-R309 WeakPolarHBondContact O-CG 3.29Å; Q305-R309 PolarHBondContact O-N 2.95Å
306N86.2Confident81.8Confident82 Ų8275.9 Ų75.944%0.43937%0.37SS..Hα-helixtrans-73.7-37.5175.5-165.11.8000111.6G302 F303 D304 R309 K310G302-N306 PolarHBondContact O-N 3.29Å; G302-N306 VanDerWaalsContact O-N 3.11Å; F303-N306 WeakPolarHBondContact O-CB 3.21Å; F303-N306 PolarHBondContact O-N 3.22Å; F303-N306 VanDerWaalsContact O-N 3.12Å; D304-N306 VanDerWaalsContact C-N 3.28Å; D304-N306 PolarHBondContact O-N 3.05Å; N306-R309 PolarHBondContact O-N 3.29Å; N306-K310 WeakPolarHBondContact O-CG 3.31Å; N306-K310 PolarHBondContact O-N 3.46Å; N306-K310 VanDerWaalsContact O-N 3.12Å
307I80.4Confident81.5Confident27 Ų2780 Ų8014%0.13840%0.397CS..Hα-helixtrans-62-45.5171.4-70-179.2000110.5F303 D304 R309 K310 R312F303-I307 HydrophobicContact CD1-CD1 3.94Å; F303-I307 HydrophobicContact CE1-CD1 3.39Å; F303-I307 HydrophobicContact CE1-CG1 4.41Å; F303-I307 HydrophobicContact CE2-CD1 4.47Å; F303-I307 HydrophobicContact CZ-CD1 3.7Å; F303-I307 PolarHBondContact O-N 2.93Å; D304-I307 PolarHBondContact O-N 2.85Å; I307-R309 PolarHBondContact O-N 3.15Å; I307-K310 CarbonylContact O-C 3.58Å; I307-K310 WeakPolarHBondContact O-CA 3.47Å; I307-K310 PolarHBondContact O-N 2.98Å; I307-K310 VanDerWaalsContact O-N 3.08Å; I307-R312 HydrophobicContact CG2-CB 3.52Å; I307-R312 PolarHBondContact O-N 3.33Å
308M78.9Confident80.9Confident128 Ų12879.7 Ų79.763%0.63140%0.395SS*.Hα-helixtrans-59.4-45.1175-174.2-175.1175.100112.4D304 K310 G311 A314D304-M308 WeakPolarHBondContact O-CB 3.27Å; D304-M308 PolarHBondContact O-N 3.28Å; M308-K310 PolarHBondContact O-N 3.35Å; M308-G311 PolarHBondContact O-N 2.83Å; M308-A314 HydrophobicContact CB-CB 4.26Å; M308-A314 HydrophobicContact CG-CB 4.46Å
309R81.7Confident80.1Confident210 Ų21078.5 Ų78.579%0.79239%0.387SS*.Hα-helixtrans-62.1-24.2174.7-77.2172.5-178.8173.10.7113.6Q305 N306 I307 G311Q305-R309 WeakPolarHBondContact O-CB 3.38Å; Q305-R309 VanDerWaalsContact O-CG 3.27Å; Q305-R309 WeakPolarHBondContact O-CG 3.29Å; Q305-R309 PolarHBondContact O-N 2.95Å; N306-R309 PolarHBondContact O-N 3.29Å; I307-R309 PolarHBondContact O-N 3.15Å; R309-G311 VanDerWaalsContact C-N 3.28Å
310K81.5Confident79.2Confident152 Ų15279.4 Ų79.466%0.66140%0.397SS*.THydrogen-bonded Turntrans-89.116.6173.1-67.5-174.5177.9-159.80113.3N306 I307 M308 R312N306-K310 WeakPolarHBondContact O-CG 3.31Å; N306-K310 PolarHBondContact O-N 3.46Å; N306-K310 VanDerWaalsContact O-N 3.12Å; I307-K310 CarbonylContact O-C 3.58Å; I307-K310 WeakPolarHBondContact O-CA 3.47Å; I307-K310 PolarHBondContact O-N 2.98Å; I307-K310 VanDerWaalsContact O-N 3.08Å; M308-K310 PolarHBondContact O-N 3.35Å; K310-R312 VanDerWaalsContact C-N 3.27Å; K310-R312 PolarHBondContact O-N 3.42Å
311G73.2Confident77.9Confident75 Ų7587.7 Ų87.777%0.77343%0.433SS*.THydrogen-bonded Turntrans70.915.6176.200000115M308 R309M308-G311 PolarHBondContact O-N 2.83Å; R309-G311 VanDerWaalsContact C-N 3.28Å
312R75.4Confident77.2Confident180 Ų18083.7 Ų83.768%0.67942%0.416SS*.PPolyproline II helixtrans-101.8156.5-179.4-63.8-177.2-170.6-153.31.3110.9I307 K310I307-R312 HydrophobicContact CG2-CB 3.52Å; I307-R312 PolarHBondContact O-N 3.33Å; K310-R312 VanDerWaalsContact C-N 3.27Å; K310-R312 PolarHBondContact O-N 3.42Å
313E73.3Confident76.5Confident63 Ų6388.6 Ų88.629%0.29442%0.423SS..PPolyproline II helixtrans-58.7136.8-176.8-175.5173.4-13900112H448 L452 S459E313-H448 PolarHBondContact O-CE1 2.87Å; E313-L452 HydrophobicContact CB-CD1 4.06Å; E313-L452 HydrophobicContact CG-CD1 4.16Å; E313-L452 HydrophobicContact CG-CD2 3.85Å; E313-S459 VanDerWaalsContact OE1-CB 3.24Å; E313-S459 WeakPolarHBondContact OE1-CB 3.1Å; E313-S459 PolarHBondContact OE1-OG 3.13Å
314A77Confident75.7Confident20 Ų2092.5 Ų92.517%0.16544%0.44CS..PPolyproline II helixtrans-96.5142.2-178.100000112.5M308 F316 R455M308-A314 HydrophobicContact CB-CB 4.26Å; M308-A314 HydrophobicContact CG-CB 4.46Å; A314-F316 VanDerWaalsContact C-N 3.33Å; A314-R455 PolarHBondContact O-NH1 2.65Å
315A79.8Confident75Confident0 Ų099.1 Ų99.10%047%0.465CS..SBendtrans-77-16.7172.500000112.8F300 D304 L318 I451 R455F300-A315 HydrophobicContact CE1-CB 4.18Å; F300-A315 HydrophobicContact CZ-CB 3.77Å; D304-A315 WeakPolarHBondContact OD1-CB 3.34Å; D304-A315 PolarHBondContact OD1-N 3.29Å; D304-A315 PolarHBondContact OD2-N 3.02Å; A315-L318 WeakPolarHBondContact O-CD2 3.38Å; A315-I451 HydrophobicContact CB-CB 4.14Å; A315-I451 HydrophobicContact CB-CD1 4.23Å; A315-I451 HydrophobicContact CB-CG2 3.84Å; A315-R455 PolarHBondContact O-NH1 3.41Å; A315-R455 PolarHBondContact O-NH2 3.38Å
316F80.1Confident74.7Confident65 Ų6594 Ų9429%0.28544%0.441SS..PPolyproline II helixtrans-97.4147.5166-68.6-77.7000112L296 F300 K301 D304 A314 L318L296-F316 HydrophobicContact CD2-CZ 4.18Å; F300-F316 AromaticContact CD1-CE2 3.56Å; F300-F316 HydrophobicContact CD1-CE2 3.56Å; F300-F316 AromaticContact CD1-CZ 3.84Å; F300-F316 HydrophobicContact CD1-CZ 3.84Å; F300-F316 HydrophobicContact CE1-CD2 4.38Å; F300-F316 AromaticContact CE1-CE2 3.55Å; F300-F316 HydrophobicContact CE1-CE2 3.55Å; F300-F316 AromaticContact CE1-CZ 3.93Å; F300-F316 HydrophobicContact CE1-CZ 3.93Å; K301-F316 HydrophobicContact CB-CE2 4.35Å; K301-F316 HydrophobicContact CG-CE2 3.9Å; K301-F316 HydrophobicContact CG-CZ 3.96Å; D304-F316 HydrophobicContact CB-CD2 4.03Å; D304-F316 HydrophobicContact CB-CE2 4.4Å; D304-F316 WeakPolarHBondContact OD2-CD2 3.27Å; D304-F316 PolarHBondContact OD2-N 2.76Å; A314-F316 VanDerWaalsContact C-N 3.33Å; F316-L318 HydrophobicContact CD1-CD1 4.31Å; F316-L318 HydrophobicContact CD1-CG 3.99Å; F316-L318 HydrophobicContact CE1-CD1 3.78Å; F316-L318 HydrophobicContact CE1-CG 3.96Å
317P77Confident74.3Confident105 Ų10590.2 Ų90.268%0.68242%0.421SS*.SBendcis-76.8153.7-2.432.9-35.9000112.9R455P317-R455 PolarHBondContact O-NH2 3.22Å
318L71.5Confident74.3Confident15 Ų1591.6 Ų91.68%0.07943%0.432CS..PPolyproline II helixtrans-84.6138.4-179.4-66169.4000112.8L296 A315 F316 E322 R323 I451L296-L318 HydrophobicContact CD1-CD1 3.38Å; L296-L318 HydrophobicContact CD2-CD1 4.01Å; L296-L318 HydrophobicContact CG-CD1 4.35Å; A315-L318 WeakPolarHBondContact O-CD2 3.38Å; F316-L318 HydrophobicContact CD1-CD1 4.31Å; F316-L318 HydrophobicContact CD1-CG 3.99Å; F316-L318 HydrophobicContact CE1-CD1 3.78Å; F316-L318 HydrophobicContact CE1-CG 3.96Å; L318-E322 VanDerWaalsContact CA-OE2 3.28Å; L318-E322 WeakPolarHBondContact CA-OE2 3.46Å; L318-E322 HydrophobicContact CB-CB 4.31Å; L318-E322 HydrophobicContact CD2-CB 4.22Å; L318-E322 WeakPolarHBondContact CD2-OE2 3.38Å; L318-R323 HydrophobicContact CB-CG 3.87Å; L318-R323 PolarHBondContact O-NE 2.78Å; L318-R323 PolarHBondContact O-NH2 2.82Å; L318-I451 HydrophobicContact CD2-CD1 4.24Å; L318-I451 HydrophobicContact CD2-CG2 4.08Å
319M65.7Low74.2Confident90 Ų9088 Ų8844%0.44341%0.411SS..PPolyproline II helixtrans-67157.3170.9-69.7-169.2-84.200112.3K321 E322 R323 R455M319-K321 VanDerWaalsContact C-N 3.28Å; M319-K321 PolarHBondContact O-N 2.82Å; M319-E322 HydrophobicContact CB-CB 4.41Å; M319-E322 HydrophobicContact CB-CG 4.05Å; M319-E322 HydrophobicContact CE-CG 4.32Å; M319-E322 VanDerWaalsContact CE-OE1 3.25Å; M319-E322 WeakPolarHBondContact CE-OE1 3.46Å; M319-E322 PolarHBondContact N-OE2 2.78Å; M319-E322 WeakPolarHBondContact O-CB 3.46Å; M319-E322 PolarHBondContact O-N 2.86Å; M319-R323 WeakPolarHBondContact O-CG 3.25Å; M319-R323 PolarHBondContact O-N 3.05Å; M319-R455 HydrophobicContact CE-CB 4.38Å; M319-R455 HydrophobicContact CE-CG 3.83Å
320H63.5Low73.9Confident164 Ų16484.3 Ų84.376%0.75941%0.412SS*.THydrogen-bonded Turntrans-56.7-37.9178.4-176.276.5000113.7K324H320-K324 PolarHBondContact NE2-NZ 3.24Å
321K61.7Low73.6Confident174 Ų17478.1 Ų78.176%0.75739%0.389SS*.THydrogen-bonded Turntrans-66.2-42.9175-67.2178.3-179173.40111.4M319 K324M319-K321 VanDerWaalsContact C-N 3.28Å; M319-K321 PolarHBondContact O-N 2.82Å; K321-K324 PolarHBondContact O-N 2.88Å
322E69.6Low73.6Confident10 Ų1082.3 Ų82.35%0.04739%0.393CS..Hα-helixtrans-62.9-43178.8-66.1171.3164.900111.9L318 M319 K324 R325 F326 R455L318-E322 VanDerWaalsContact CA-OE2 3.28Å; L318-E322 WeakPolarHBondContact CA-OE2 3.46Å; L318-E322 HydrophobicContact CB-CB 4.31Å; L318-E322 HydrophobicContact CD2-CB 4.22Å; L318-E322 WeakPolarHBondContact CD2-OE2 3.38Å; M319-E322 HydrophobicContact CB-CB 4.41Å; M319-E322 HydrophobicContact CB-CG 4.05Å; M319-E322 HydrophobicContact CE-CG 4.32Å; M319-E322 VanDerWaalsContact CE-OE1 3.25Å; M319-E322 WeakPolarHBondContact CE-OE1 3.46Å; M319-E322 PolarHBondContact N-OE2 2.78Å; M319-E322 WeakPolarHBondContact O-CB 3.46Å; M319-E322 PolarHBondContact O-N 2.86Å; E322-K324 PolarHBondContact O-N 3.12Å; E322-R325 PolarHBondContact O-N 3.04Å; E322-F326 HydrophobicContact CB-CD2 4.13Å; E322-F326 PolarHBondContact O-N 3.32Å; E322-R455 WeakPolarHBondContact OE1-CG 3.37Å; E322-R455 IonicContact OE1-CZ 3.8Å; E322-R455 IonicContact OE1-NE 3.62Å; E322-R455 PolarHBondContact OE1-NE 2.81Å; E322-R455 IonicContact OE1-NH2 3.75Å; E322-R455 PolarHBondContact OE1-NH2 2.85Å; E322-R455 IonicContact OE2-CZ 2.81Å; E322-R455 IonicContact OE2-NE 3.43Å; E322-R455 IonicContact OE2-NH2 3.58Å; E322-R455 PolarHBondContact OE2-NH2 2.87Å
323R71.1Confident73.7Confident138 Ų13879.2 Ų79.252%0.52138%0.381SS..Hα-helixtrans-59.6-18.3177.4-64.4175.7-156-146.16.5114L318 M319 R333L318-R323 HydrophobicContact CB-CG 3.87Å; L318-R323 PolarHBondContact O-NE 2.78Å; L318-R323 PolarHBondContact O-NH2 2.82Å; M319-R323 WeakPolarHBondContact O-CG 3.25Å; M319-R323 PolarHBondContact O-N 3.05Å; R323-R333 PolarHBondContact O-NH1 2.75Å; R323-R333 PolarHBondContact O-NH2 3.21Å
324K68.1Low73.7Confident131 Ų13178.9 Ų78.957%0.5739%0.385SS*.Hα-helixtrans-84.3-24.2173.9-67.1-178.3178.7-176.90112.8H320 K321 E322H320-K324 PolarHBondContact NE2-NZ 3.24Å; K321-K324 PolarHBondContact O-N 2.88Å; E322-K324 PolarHBondContact O-N 3.12Å
325R72.1Confident73.5Confident142 Ų14278.4 Ų78.454%0.53638%0.38SS..Hα-helixtrans-95.6-48.1178.8-175.3-179.9-174-177.21.9112.3E322 C454E322-R325 PolarHBondContact O-N 3.04Å; R325-C454 PolarHBondContact NH1-SG 2.95Å
326F80.2Confident73.2Confident4 Ų486.9 Ų86.92%0.01842%0.416CS..SBendtrans-97.8123.2179.2-53.9-74.2000108.9Y294 L296 E322 L447 T450 I451Y294-F326 WeakPolarHBondContact O-CA 3.38Å; L296-F326 HydrophobicContact CD1-CB 4.11Å; L296-F326 HydrophobicContact CD2-CB 4.04Å; L296-F326 HydrophobicContact CG-CB 4.01Å; E322-F326 HydrophobicContact CB-CD2 4.13Å; E322-F326 PolarHBondContact O-N 3.32Å; F326-L447 HydrophobicContact CD1-CD1 3.7Å; F326-L447 HydrophobicContact CE1-CD1 3.64Å; F326-T450 HydrophobicContact CE1-CG2 4.48Å; F326-T450 HydrophobicContact CZ-CG2 4.18Å; F326-I451 HydrophobicContact CD1-CG1 4.38Å; F326-I451 HydrophobicContact CD2-CD1 4.48Å; F326-I451 HydrophobicContact CD2-CG1 3.95Å; F326-I451 HydrophobicContact CE1-CG1 4.11Å; F326-I451 HydrophobicContact CE2-CG1 3.65Å; F326-I451 HydrophobicContact CG-CD1 4.45Å; F326-I451 HydrophobicContact CG-CG1 4.31Å; F326-I451 HydrophobicContact CZ-CG1 3.72Å
327I78.5Confident72.8Confident1 Ų188 Ų881%0.00543%0.429CS..EExtended strand (participates in β ladder)trans-125.5146.2-172.967.9169.9000110.8Y294 F295 L296 R329 A331 T335Y294-I327 PolarHBondContact O-N 3.39Å; F295-I327 CarbonylContact C-O 3.27Å; F295-I327 WeakPolarHBondContact CA-O 3.25Å; F295-I327 HydrophobicContact CD1-CD1 4.48Å; F295-I327 HydrophobicContact CD1-CG1 4.01Å; F295-I327 HydrophobicContact CE1-CD1 4.11Å; F295-I327 HydrophobicContact CE1-CG1 4.13Å; L296-I327 PolarHBondContact N-O 3.37Å; I327-R329 PolarHBondContact O-N 2.84Å; I327-A331 HydrophobicContact CB-CB 4.46Å; I327-T335 HydrophobicContact CD1-CG2 4.02Å; I327-T335 HydrophobicContact CG2-CG2 4.23Å
328P80.7Confident72.7Confident57 Ų5783.5 Ų83.537%0.3740%0.398SS..EExtended strand (participates in β ladder)trans-54.7138.9165.9-23.234000110.4T330 A331P328-T330 PolarHBondContact O-N 3.36Å; P328-T330 VanDerWaalsContact O-N 3.07Å; P328-A331 HydrophobicContact CB-CB 4.43Å; P328-A331 VanDerWaalsContact O-CB 3.29Å; P328-A331 WeakPolarHBondContact O-CB 3.37Å; P328-A331 PolarHBondContact O-N 3.03Å
329R76Confident73.1Confident53 Ų5386 Ų8620%0.241%0.412CS..THydrogen-bonded Turntrans-57.9-25.2-178.9-162.7-175.3-71-86.86.9113.3F295 L296 I327 S429 E433F295-R329 HydrophobicContact CB-CB 4.16Å; F295-R329 HydrophobicContact CB-CG 4.3Å; F295-R329 HydrophobicContact CD1-CB 4.27Å; F295-R329 HydrophobicContact CD1-CG 4.18Å; F295-R329 HydrophobicContact CG-CB 4.38Å; F295-R329 HydrophobicContact CG-CG 4.16Å; L296-R329 PolarHBondContact O-N 3.48Å; I327-R329 PolarHBondContact O-N 2.84Å; R329-S429 PolarHBondContact NH1-OG 3.04Å; R329-E433 IonicContact CZ-OE1 3.6Å; R329-E433 IonicContact CZ-OE2 2.76Å; R329-E433 IonicContact NH1-OE1 3.74Å; R329-E433 IonicContact NH2-OE1 2.66Å; R329-E433 PolarHBondContact NH2-OE1 3.4Å; R329-E433 IonicContact NH2-OE2 2.67Å; R329-E433 PolarHBondContact NH2-OE2 2.85Å
330T75.5Confident73.7Confident132 Ų13287.4 Ų87.481%0.8142%0.42SS*.THydrogen-bonded Turntrans-87.9-1.8178.249.20000114.7P328 L332P328-T330 PolarHBondContact O-N 3.36Å; P328-T330 VanDerWaalsContact O-N 3.07Å; T330-L332 PolarHBondContact O-N 3.41Å
331A75.9Confident74.2Confident21 Ų2184.4 Ų84.417%0.17441%0.413CS..  trans-71.9125.4-177.200000112I327 P328 R333 R426I327-A331 HydrophobicContact CB-CB 4.46Å; P328-A331 HydrophobicContact CB-CB 4.43Å; P328-A331 VanDerWaalsContact O-CB 3.29Å; P328-A331 WeakPolarHBondContact O-CB 3.37Å; P328-A331 PolarHBondContact O-N 3.03Å; A331-R333 HydrophobicContact CB-CG 4.39Å; A331-R333 PolarHBondContact O-N 2.78Å; A331-R426 PolarHBondContact O-NH1 3.39Å
332L73.9Confident74.7Confident164 Ų16478.6 Ų78.686%0.85939%0.388SS*.  trans-63.3-41.3179.1-70171.1000112.6T330 R426T330-L332 PolarHBondContact O-N 3.41Å; L332-R426 PolarHBondContact O-NH1 2.96Å
333R77Confident75.1Confident115 Ų11580.7 Ų80.743%0.43440%0.397SS..SBendtrans-54.1128.8-177.363.4-178.1172.897.2-3.8112.7R323 A331 R426R323-R333 PolarHBondContact O-NH1 2.75Å; R323-R333 PolarHBondContact O-NH2 3.21Å; A331-R333 HydrophobicContact CB-CG 4.39Å; A331-R333 PolarHBondContact O-N 2.78Å; R333-R426 PolarHBondContact O-NH2 2.91Å
334P72.6Confident75.6Confident56 Ų5678.1 Ų78.136%0.36439%0.393SS..PPolyproline II helixtrans-74.4145.8172.830.3-33.8000111.6E338 I339P334-E338 HydrophobicContact CB-CB 4.21Å; P334-I339 HydrophobicContact CB-CD1 4.49Å; P334-I339 HydrophobicContact CB-CG1 3.76Å; P334-I339 HydrophobicContact CG-CD1 4.01Å; P334-I339 HydrophobicContact CG-CG1 3.69Å
335T72.5Confident76.2Confident10 Ų1075.2 Ų75.26%0.06139%0.388CS..PPolyproline II helixtrans-70.1153.2160.956.20000109.9Y294 I327 T337 E338 I339Y294-T335 HydrophobicContact CE2-CG2 4.43Å; I327-T335 HydrophobicContact CD1-CG2 4.02Å; I327-T335 HydrophobicContact CG2-CG2 4.23Å; T335-T337 WeakPolarHBondContact CB-OG1 3.44Å; T335-T337 PolarHBondContact O-N 3.23Å; T335-T337 VanDerWaalsContact O-N 3.12Å; T335-T337 PolarHBondContact OG1-OG1 3.19Å; T335-E338 PolarHBondContact N-OE2 3.36Å; T335-E338 PolarHBondContact O-N 3.49Å; T335-E338 WeakPolarHBondContact OG1-CB 3.28Å; T335-E338 WeakPolarHBondContact OG1-CG 3.42Å; T335-E338 PolarHBondContact OG1-N 3.49Å; T335-E338 PolarHBondContact OG1-OE2 2.92Å; T335-I339 PolarHBondContact O-N 3.3Å
336K73.7Confident76.7Confident178 Ų17869.4 Ų69.477%0.77437%0.369SS*.Hα-helixtrans-53.5-36176-69.9-167.1173.8-166.10112.4I339 L340K336-I339 PolarHBondContact O-N 3.32Å; K336-L340 PolarHBondContact O-N 3.06Å
337T72.5Confident77Confident89 Ų8970.4 Ų70.455%0.54638%0.375SS..Hα-helixtrans-62.6-42.9173.334.50000113.1T335 T341T335-T337 WeakPolarHBondContact CB-OG1 3.44Å; T335-T337 PolarHBondContact O-N 3.23Å; T335-T337 VanDerWaalsContact O-N 3.12Å; T335-T337 PolarHBondContact OG1-OG1 3.19Å; T337-T341 WeakPolarHBondContact O-CB 3.45Å; T337-T341 WeakPolarHBondContact O-CG2 3.4Å; T337-T341 PolarHBondContact O-N 3.26Å; T337-T341 PolarHBondContact O-OG1 3.09Å
338E73.7Confident77.4Confident9 Ų973.8 Ų73.84%0.04240%0.395CS..Hα-helixtrans-66.6-37.4174.6-74.1168.3128.700112.3P334 T335 K342 F343 R426P334-E338 HydrophobicContact CB-CB 4.21Å; T335-E338 PolarHBondContact N-OE2 3.36Å; T335-E338 PolarHBondContact O-N 3.49Å; T335-E338 WeakPolarHBondContact OG1-CB 3.28Å; T335-E338 WeakPolarHBondContact OG1-CG 3.42Å; T335-E338 PolarHBondContact OG1-N 3.49Å; T335-E338 PolarHBondContact OG1-OE2 2.92Å; E338-K342 HydrophobicContact CG-CD 4.21Å; E338-K342 WeakPolarHBondContact O-CA 3.39Å; E338-K342 WeakPolarHBondContact O-CB 3.33Å; E338-K342 PolarHBondContact O-N 3.23Å; E338-F343 PolarHBondContact O-N 3.25Å; E338-F343 VanDerWaalsContact O-N 3.15Å; E338-R426 IonicContact OE1-CZ 3.79Å; E338-R426 IonicContact OE1-NE 3.88Å; E338-R426 PolarHBondContact OE1-NE 3.33Å; E338-R426 IonicContact OE1-NH2 2.88Å; E338-R426 PolarHBondContact OE1-NH2 3.38Å; E338-R426 IonicContact OE2-CZ 2.69Å; E338-R426 IonicContact OE2-NE 3.32Å; E338-R426 IonicContact OE2-NH2 3.49Å; E338-R426 PolarHBondContact OE2-NH2 3Å
339I79.7Confident77.7Confident69 Ų6974.8 Ų74.835%0.35440%0.398SS..Iπ-helixtrans-58.9-55176.4-58.4176000109.9P334 T335 K336 T341 F343 L344P334-I339 HydrophobicContact CB-CD1 4.49Å; P334-I339 HydrophobicContact CB-CG1 3.76Å; P334-I339 HydrophobicContact CG-CD1 4.01Å; P334-I339 HydrophobicContact CG-CG1 3.69Å; T335-I339 PolarHBondContact O-N 3.3Å; K336-I339 PolarHBondContact O-N 3.32Å; I339-T341 PolarHBondContact O-N 2.95Å; I339-F343 WeakPolarHBondContact O-CB 3.14Å; I339-F343 PolarHBondContact O-N 2.87Å; I339-L344 PolarHBondContact O-N 2.85Å
340L79.3Confident78.4Confident118 Ų11874.2 Ų74.262%0.61840%0.4SS*.Iπ-helixtrans-68.9-34.3-174.2-68.5166.5000113.3K336K336-L340 PolarHBondContact O-N 3.06Å
341T73.2Confident79.1Confident101 Ų10171.4 Ų71.462%0.6238%0.382SS*.Iπ-helixtrans-103.3-23-172.963.60000115.3T337 I339T337-T341 WeakPolarHBondContact O-CB 3.45Å; T337-T341 WeakPolarHBondContact O-CG2 3.4Å; T337-T341 PolarHBondContact O-N 3.26Å; T337-T341 PolarHBondContact O-OG1 3.09Å; I339-T341 PolarHBondContact O-N 2.95Å
342K72.8Confident79.9Confident53 Ų5375.1 Ų75.123%0.2340%0.399CS..Iπ-helixtrans-121.2-20.9-175-56.6-172.3-176176.70114.7E292 E338 P346E292-K342 IonicContact OE1-NZ 2.82Å; E292-K342 PolarHBondContact OE1-NZ 3.34Å; E338-K342 HydrophobicContact CG-CD 4.21Å; E338-K342 WeakPolarHBondContact O-CA 3.39Å; E338-K342 WeakPolarHBondContact O-CB 3.33Å; E338-K342 PolarHBondContact O-N 3.23Å; K342-P346 WeakPolarHBondContact O-CG 3.36Å
343F78.7Confident80.6Confident54 Ų5467.9 Ų67.924%0.23736%0.362CS..Iπ-helixtrans-105-52-175.7-177.4-82.5000112.6E338 I339 P346 V347 Y423E338-F343 PolarHBondContact O-N 3.25Å; E338-F343 VanDerWaalsContact O-N 3.15Å; I339-F343 WeakPolarHBondContact O-CB 3.14Å; I339-F343 PolarHBondContact O-N 2.87Å; F343-P346 VanDerWaalsContact O-CD 3.31Å; F343-P346 WeakPolarHBondContact O-CD 3.36Å; F343-V347 HydrophobicContact CD1-CG2 4.09Å; F343-V347 HydrophobicContact CE1-CG2 3.77Å; F343-V347 HydrophobicContact CZ-CG2 4.15Å; F343-V347 WeakPolarHBondContact O-CG2 3.42Å; F343-V347 PolarHBondContact O-N 3.32Å; F343-Y423 AromaticContact CE2-CD1 3.94Å; F343-Y423 HydrophobicContact CE2-CD1 3.94Å; F343-Y423 AromaticContact CE2-CD2 3.61Å; F343-Y423 HydrophobicContact CE2-CD2 3.61Å; F343-Y423 HydrophobicContact CE2-CE1 4.18Å; F343-Y423 AromaticContact CE2-CE2 3.89Å; F343-Y423 HydrophobicContact CE2-CE2 3.89Å; F343-Y423 AromaticContact CE2-CG 3.64Å; F343-Y423 HydrophobicContact CE2-CG 3.64Å; F343-Y423 WeakPolarHBondContact CE2-O 2.95Å; F343-Y423 AromaticContact CZ-CD2 3.61Å; F343-Y423 HydrophobicContact CZ-CD2 3.61Å; F343-Y423 AromaticContact CZ-CE2 3.82Å; F343-Y423 HydrophobicContact CZ-CE2 3.82Å; F343-Y423 HydrophobicContact CZ-CG 4.11Å
344L81.3Confident81.3Confident83 Ų8364.1 Ų64.144%0.43536%0.359SS..Hα-helixtrans-65.5-47.9-169.8-176.364.6000113.7I339 V347 V348I339-L344 PolarHBondContact O-N 2.85Å; L344-V347 PolarHBondContact O-N 2.84Å; L344-V347 VanDerWaalsContact O-N 3.14Å; L344-V348 HydrophobicContact CD1-CG2 4.06Å; L344-V348 HydrophobicContact CG-CG2 4.29Å; L344-V348 WeakPolarHBondContact O-CG2 3.05Å; L344-V348 PolarHBondContact O-N 3.21Å
345P81.4Confident82.3Confident71 Ų7166.2 Ų66.246%0.46137%0.366SS..Hα-helixtrans-61.7-41.6-179.6-18.730.7000113.8V347 V348 N349P345-V347 PolarHBondContact O-N 3.43Å; P345-V348 PolarHBondContact O-N 3.47Å; P345-N349 WeakPolarHBondContact O-CB 3.3Å; P345-N349 PolarHBondContact O-N 3.42Å
346P82.3Confident83.2Confident20 Ų2068.7 Ų68.713%0.1338%0.381CS..Hα-helixtrans-52.8-45.7168.4-34.439.8000115.5K342 F343 N349 V350 M422K342-P346 WeakPolarHBondContact O-CG 3.36Å; F343-P346 VanDerWaalsContact O-CD 3.31Å; F343-P346 WeakPolarHBondContact O-CD 3.36Å; P346-N349 PolarHBondContact O-N 3.18Å; P346-V350 WeakPolarHBondContact O-CG2 3.32Å; P346-V350 PolarHBondContact O-N 3.18Å; P346-M422 HydrophobicContact CB-CE 4.39Å
347V85.7Confident84Confident25 Ų2562.3 Ų62.315%0.15235%0.354CS..Hα-helixtrans-68.3-46-177.7174.70000110.6F343 L344 P345 N349 V350 V351 M422F343-V347 HydrophobicContact CD1-CG2 4.09Å; F343-V347 HydrophobicContact CE1-CG2 3.77Å; F343-V347 HydrophobicContact CZ-CG2 4.15Å; F343-V347 WeakPolarHBondContact O-CG2 3.42Å; F343-V347 PolarHBondContact O-N 3.32Å; L344-V347 PolarHBondContact O-N 2.84Å; L344-V347 VanDerWaalsContact O-N 3.14Å; P345-V347 PolarHBondContact O-N 3.43Å; V347-N349 VanDerWaalsContact C-N 3.32Å; V347-N349 PolarHBondContact O-N 3.43Å; V347-V350 PolarHBondContact O-N 2.91Å; V347-V351 WeakPolarHBondContact O-CG2 3.48Å; V347-V351 PolarHBondContact O-N 2.84Å; V347-M422 HydrophobicContact CG2-CB 4.37Å; V347-M422 HydrophobicContact CG2-CE 4.2Å
348V87.9Confident84.9Confident71 Ų7164.4 Ų64.443%0.4336%0.356SS..Hα-helixtrans-57.9-44.6175.8173.80000111L344 P345 V350 V351 L352L344-V348 HydrophobicContact CD1-CG2 4.06Å; L344-V348 HydrophobicContact CG-CG2 4.29Å; L344-V348 WeakPolarHBondContact O-CG2 3.05Å; L344-V348 PolarHBondContact O-N 3.21Å; P345-V348 PolarHBondContact O-N 3.47Å; V348-V350 PolarHBondContact O-N 3.33Å; V348-V351 PolarHBondContact O-N 2.86Å; V348-L352 HydrophobicContact CG1-CD1 3.82Å; V348-L352 HydrophobicContact CG1-CG 4.33Å; V348-L352 WeakPolarHBondContact O-CB 3.37Å; V348-L352 WeakPolarHBondContact O-CG 3.37Å; V348-L352 PolarHBondContact O-N 2.76Å
349N86.5Confident85.7Confident79 Ų7970 Ų7042%0.42238%0.378SS..Hα-helixtrans-64.6-40.6179.1-163.772.9000112.7L28 P345 P346 V347 L352 T353L28-N349 WeakPolarHBondContact CD1-ND2 3.24Å; P345-N349 WeakPolarHBondContact O-CB 3.3Å; P345-N349 PolarHBondContact O-N 3.42Å; P346-N349 PolarHBondContact O-N 3.18Å; V347-N349 VanDerWaalsContact C-N 3.32Å; V347-N349 PolarHBondContact O-N 3.43Å; N349-L352 PolarHBondContact O-N 3.23Å; N349-T353 WeakPolarHBondContact O-CB 3.4Å; N349-T353 PolarHBondContact O-N 2.67Å; N349-T353 PolarHBondContact O-OG1 2.82Å; N349-T353 VanDerWaalsContact O-OG1 3.1Å
350V90Very high86Confident40 Ų4069.3 Ų69.324%0.24237%0.371CS..Hα-helixtrans-63.9-41.5175.4169.30000111.5R24 L28 P346 V347 V348 G354 M422R24-V350 HydrophobicContact CG-CG2 4.46Å; L28-V350 HydrophobicContact CD1-CG2 3.95Å; L28-V350 HydrophobicContact CD2-CG2 4.36Å; P346-V350 WeakPolarHBondContact O-CG2 3.32Å; P346-V350 PolarHBondContact O-N 3.18Å; V347-V350 PolarHBondContact O-N 2.91Å; V348-V350 PolarHBondContact O-N 3.33Å; V350-G354 PolarHBondContact O-N 2.86Å; V350-M422 HydrophobicContact CG2-SD 3.87Å
351V91Very high86.5Confident74 Ų7468 Ų6845%0.44836%0.364SS..Hα-helixtrans-65-46.3176.9171.30000111.1V347 V348 G354 I355V347-V351 WeakPolarHBondContact O-CG2 3.48Å; V347-V351 PolarHBondContact O-N 2.84Å; V348-V351 PolarHBondContact O-N 2.86Å; V351-G354 PolarHBondContact O-N 2.97Å; V351-G354 VanDerWaalsContact O-N 3.17Å; V351-I355 HydrophobicContact CG1-CD1 4.04Å; V351-I355 WeakPolarHBondContact O-CG1 3.43Å; V351-I355 PolarHBondContact O-N 2.72Å
352L91.3Very high87.3Confident99 Ų9969.1 Ų69.152%0.51836%0.36SS..Hα-helixtrans-63-44.8178.1-70.4172.7000112.3V348 N349 G354 I355 V356V348-L352 HydrophobicContact CG1-CD1 3.82Å; V348-L352 HydrophobicContact CG1-CG 4.33Å; V348-L352 WeakPolarHBondContact O-CB 3.37Å; V348-L352 WeakPolarHBondContact O-CG 3.37Å; V348-L352 PolarHBondContact O-N 2.76Å; N349-L352 PolarHBondContact O-N 3.23Å; L352-G354 VanDerWaalsContact C-N 3.3Å; L352-G354 PolarHBondContact O-N 3.08Å; L352-I355 PolarHBondContact O-N 2.94Å; L352-V356 PolarHBondContact O-N 2.88Å; L352-V356 VanDerWaalsContact O-N 3.16Å
353T90.1Very high88Confident12 Ų1268.5 Ų68.57%0.07436%0.359CS..Hα-helixtrans-61.8-39.6172.7-60.10000111.5L28 L32 N349 I355 V356 I357L28-T353 HydrophobicContact CB-CG2 4.26Å; L28-T353 HydrophobicContact CD2-CG2 3.76Å; L32-T353 HydrophobicContact CD1-CG2 4.09Å; L32-T353 HydrophobicContact CD2-CG2 4.06Å; L32-T353 HydrophobicContact CG-CG2 3.87Å; N349-T353 WeakPolarHBondContact O-CB 3.4Å; N349-T353 PolarHBondContact O-N 2.67Å; N349-T353 PolarHBondContact O-OG1 2.82Å; N349-T353 VanDerWaalsContact O-OG1 3.1Å; T353-I355 PolarHBondContact O-N 3.48Å; T353-V356 PolarHBondContact O-N 2.86Å; T353-I357 HydrophobicContact CG2-CD1 3.78Å; T353-I357 HydrophobicContact CG2-CG1 4.3Å; T353-I357 VanDerWaalsContact O-CG1 3.32Å; T353-I357 WeakPolarHBondContact O-CG1 3.45Å; T353-I357 PolarHBondContact O-N 3.48Å
354G92Very high88.4Confident36 Ų3667 Ų6737%0.37135%0.354SS..Hα-helixtrans-59.7-41.1175.300000113.3V350 V351 L352 I357 F358V350-G354 PolarHBondContact O-N 2.86Å; V351-G354 PolarHBondContact O-N 2.97Å; V351-G354 VanDerWaalsContact O-N 3.17Å; L352-G354 VanDerWaalsContact C-N 3.3Å; L352-G354 PolarHBondContact O-N 3.08Å; G354-I357 PolarHBondContact O-N 3.49Å; G354-F358 WeakPolarHBondContact O-CB 3.24Å; G354-F358 PolarHBondContact O-N 2.62Å
355I93.3Very high88.7Confident100 Ų10065.7 Ų65.751%0.51336%0.355SS..Hα-helixtrans-63.8-42.7175.4-68162.7000111.1V351 L352 T353 F358 Y359V351-I355 HydrophobicContact CG1-CD1 4.04Å; V351-I355 WeakPolarHBondContact O-CG1 3.43Å; V351-I355 PolarHBondContact O-N 2.72Å; L352-I355 PolarHBondContact O-N 2.94Å; T353-I355 PolarHBondContact O-N 3.48Å; I355-F358 PolarHBondContact O-N 3.02Å; I355-Y359 WeakPolarHBondContact O-CB 3.37Å; I355-Y359 PolarHBondContact O-N 2.82Å
356V90Very high89Confident62 Ų6264.6 Ų64.638%0.37635%0.349SS..Hα-helixtrans-65.7-41.2177.1175.60000111.6L32 L352 T353 Y359 W360L32-V356 HydrophobicContact CD2-CB 4.17Å; L32-V356 HydrophobicContact CD2-CG1 3.67Å; L352-V356 PolarHBondContact O-N 2.88Å; L352-V356 VanDerWaalsContact O-N 3.16Å; T353-V356 PolarHBondContact O-N 2.86Å; V356-Y359 PolarHBondContact O-N 3.11Å; V356-W360 PolarHBondContact O-N 3.32Å; V356-W360 VanDerWaalsContact O-N 3.15Å
357I91.1Very high89.2Confident43 Ų4365.2 Ų65.222%0.22135%0.352CS..Hα-helixtrans-63.9-45.7175.7-68.6171000110.6A31 L32 T35 T353 G354 Y359 W360 L361A31-I357 HydrophobicContact CB-CD1 3.95Å; L32-I357 HydrophobicContact CD2-CG1 4.35Å; T35-I357 HydrophobicContact CG2-CB 4.15Å; T35-I357 HydrophobicContact CG2-CG1 3.84Å; T35-I357 HydrophobicContact CG2-CG2 3.89Å; T353-I357 HydrophobicContact CG2-CD1 3.78Å; T353-I357 HydrophobicContact CG2-CG1 4.3Å; T353-I357 VanDerWaalsContact O-CG1 3.32Å; T353-I357 WeakPolarHBondContact O-CG1 3.45Å; T353-I357 PolarHBondContact O-N 3.48Å; G354-I357 PolarHBondContact O-N 3.49Å; I357-Y359 VanDerWaalsContact C-N 3.34Å; I357-Y359 PolarHBondContact O-N 3.18Å; I357-W360 PolarHBondContact O-N 2.66Å; I357-L361 HydrophobicContact CG2-CD1 3.93Å; I357-L361 WeakPolarHBondContact O-CG 3.28Å; I357-L361 PolarHBondContact O-N 3.11Å
358F91.3Very high89.2Confident133 Ų13369.6 Ų69.658%0.58337%0.37SS*.Hα-helixtrans-60.2-42.3176.1177.4-95000112G354 I355 W360 L361 F362G354-F358 WeakPolarHBondContact O-CB 3.24Å; G354-F358 PolarHBondContact O-N 2.62Å; I355-F358 PolarHBondContact O-N 3.02Å; F358-W360 PolarHBondContact O-N 3.35Å; F358-L361 PolarHBondContact O-N 3.07Å; F358-F362 HydrophobicContact CE1-CB 4.48Å; F358-F362 VanDerWaalsContact O-CB 3.3Å; F358-F362 WeakPolarHBondContact O-CB 3.46Å; F358-F362 PolarHBondContact O-N 2.89Å
359Y89.9Confident89.1Confident126 Ų12671.4 Ų71.449%0.49437%0.373SS..Hα-helixtrans-59.4-45.3176.7175.8-99.9000112.4I355 V356 I357 F362 L363I355-Y359 WeakPolarHBondContact O-CB 3.37Å; I355-Y359 PolarHBondContact O-N 2.82Å; V356-Y359 PolarHBondContact O-N 3.11Å; I357-Y359 VanDerWaalsContact C-N 3.34Å; I357-Y359 PolarHBondContact O-N 3.18Å; Y359-F362 PolarHBondContact O-N 3.33Å; Y359-L363 HydrophobicContact CD1-CD1 4.1Å; Y359-L363 HydrophobicContact CE1-CD1 3.43Å; Y359-L363 VanDerWaalsContact CE1-CD1 3.43Å; Y359-L363 HydrophobicContact CE1-CG 4.14Å; Y359-L363 HydrophobicContact CE2-CD1 4.36Å; Y359-L363 HydrophobicContact CE2-CG 4.34Å; Y359-L363 WeakPolarHBondContact O-CG 3.29Å; Y359-L363 PolarHBondContact O-N 3.44Å
360W87.8Confident89Confident56 Ų5673.9 Ų73.921%0.21238%0.38CS..Hα-helixtrans-66.5-38.1176.6-72.1121.8000113.2M40 V356 I357 F358 L363 D364M40-W360 HydrophobicContact CB-CE3 4.3Å; M40-W360 HydrophobicContact CE-CH2 3.86Å; M40-W360 HydrophobicContact CE-CZ3 4.18Å; M40-W360 HydrophobicContact CG-CE3 4.21Å; M40-W360 HydrophobicContact CG-CH2 4.41Å; M40-W360 HydrophobicContact CG-CZ3 3.96Å; M40-W360 HydrophobicContact SD-CE3 4.28Å; M40-W360 HydrophobicContact SD-CH2 3.62Å; M40-W360 HydrophobicContact SD-CZ2 3.98Å; M40-W360 HydrophobicContact SD-CZ3 3.78Å; V356-W360 PolarHBondContact O-N 3.32Å; V356-W360 VanDerWaalsContact O-N 3.15Å; I357-W360 PolarHBondContact O-N 2.66Å; F358-W360 PolarHBondContact O-N 3.35Å; W360-L363 HydrophobicContact CE3-CD1 3.84Å; W360-L363 HydrophobicContact CZ3-CD1 3.77Å; W360-L363 PolarHBondContact O-N 3.2Å; W360-D364 PolarHBondContact O-N 3.2Å
361L88.5Confident88.7Confident89 Ų8972.6 Ų72.647%0.46637%0.372SS..Hα-helixtrans-67.5-39.2174.9-68.3170.4000112P39 I357 F358 A365P39-L361 HydrophobicContact CB-CD2 4.39Å; P39-L361 HydrophobicContact CG-CD2 3.71Å; I357-L361 HydrophobicContact CG2-CD1 3.93Å; I357-L361 WeakPolarHBondContact O-CG 3.28Å; I357-L361 PolarHBondContact O-N 3.11Å; F358-L361 PolarHBondContact O-N 3.07Å; L361-A365 WeakPolarHBondContact O-CB 3.39Å; L361-A365 PolarHBondContact O-N 3.08Å
362F89.6Confident88.4Confident126 Ų12675.6 Ų75.655%0.55338%0.377SS*.Hα-helixtrans-66.2-39.4174.1179.3-92.6000111.7F358 Y359 S366F358-F362 HydrophobicContact CE1-CB 4.48Å; F358-F362 VanDerWaalsContact O-CB 3.3Å; F358-F362 WeakPolarHBondContact O-CB 3.46Å; F358-F362 PolarHBondContact O-N 2.89Å; Y359-F362 PolarHBondContact O-N 3.33Å; F362-S366 WeakPolarHBondContact O-CB 3.49Å; F362-S366 PolarHBondContact O-N 2.89Å; F362-S366 PolarHBondContact O-OG 3.3Å
363L88.3Confident88Confident40 Ų4074.1 Ų74.121%0.20937%0.371CS..Hα-helixtrans-62.6-52.4173.1-78.1-173.9000111.8M43 Y359 W360 A365 S366 V367M43-L363 HydrophobicContact SD-CB 4.09Å; Y359-L363 HydrophobicContact CD1-CD1 4.1Å; Y359-L363 HydrophobicContact CE1-CD1 3.43Å; Y359-L363 VanDerWaalsContact CE1-CD1 3.43Å; Y359-L363 HydrophobicContact CE1-CG 4.14Å; Y359-L363 HydrophobicContact CE2-CD1 4.36Å; Y359-L363 HydrophobicContact CE2-CG 4.34Å; Y359-L363 WeakPolarHBondContact O-CG 3.29Å; Y359-L363 PolarHBondContact O-N 3.44Å; W360-L363 HydrophobicContact CE3-CD1 3.84Å; W360-L363 HydrophobicContact CZ3-CD1 3.77Å; W360-L363 PolarHBondContact O-N 3.2Å; L363-A365 VanDerWaalsContact C-N 3.32Å; L363-A365 PolarHBondContact O-N 2.96Å; L363-S366 PolarHBondContact O-N 3.27Å; L363-S366 PolarHBondContact O-OG 3.4Å; L363-V367 WeakPolarHBondContact O-CB 3.36Å; L363-V367 WeakPolarHBondContact O-CG2 3.35Å; L363-V367 PolarHBondContact O-N 2.83Å
364D87.5Confident87.3Confident22 Ų2275.2 Ų75.212%0.11838%0.378CS..Hα-helixtrans-61-41.1179.4-16826.8000111.2P39 N42 M43 W360 F368P39-D364 WeakPolarHBondContact CA-OD2 3.46Å; P39-D364 HydrophobicContact CB-CB 4.02Å; N42-D364 PolarHBondContact ND2-OD1 3.17Å; N42-D364 VanDerWaalsContact ND2-OD1 3.15Å; N42-D364 PolarHBondContact ND2-OD2 3.21Å; M43-D364 WeakPolarHBondContact CA-OD1 3.45Å; M43-D364 HydrophobicContact CB-CB 4.37Å; M43-D364 WeakPolarHBondContact CB-OD1 3.32Å; M43-D364 PolarHBondContact N-OD1 2.72Å; W360-D364 PolarHBondContact O-N 3.2Å; D364-F368 WeakPolarHBondContact O-CB 3.2Å; D364-F368 PolarHBondContact O-N 2.97Å
365A87.8Confident86.4Confident56 Ų5675.9 Ų75.946%0.46337%0.373SS..Hα-helixtrans-64.8-41.9174.600000113.4L361 L363 Q369L361-A365 WeakPolarHBondContact O-CB 3.39Å; L361-A365 PolarHBondContact O-N 3.08Å; L363-A365 VanDerWaalsContact C-N 3.32Å; L363-A365 PolarHBondContact O-N 2.96Å; A365-Q369 VanDerWaalsContact O-CB 3.29Å; A365-Q369 WeakPolarHBondContact O-CB 3.39Å; A365-Q369 PolarHBondContact O-N 3.18Å
366S88.3Confident85.6Confident47 Ų4773.5 Ų73.533%0.32937%0.365SS..Hα-helixtrans-71.3-3717968.10000112.4F362 L363 Q369 F370F362-S366 WeakPolarHBondContact O-CB 3.49Å; F362-S366 PolarHBondContact O-N 2.89Å; F362-S366 PolarHBondContact O-OG 3.3Å; L363-S366 PolarHBondContact O-N 3.27Å; L363-S366 PolarHBondContact O-OG 3.4Å; S366-Q369 PolarHBondContact O-N 3.07Å; S366-F370 WeakPolarHBondContact O-CB 3.37Å; S366-F370 PolarHBondContact O-N 3.48Å
367V85.4Confident84.7Confident34 Ų3474.8 Ų74.821%0.20637%0.37CS..Hα-helixtrans-68.8-46.5172.3171.70000110M43 L363 Q369 F370 L371M43-V367 HydrophobicContact CG-CB 3.84Å; M43-V367 HydrophobicContact CG-CG1 3.76Å; M43-V367 HydrophobicContact CG-CG2 3.94Å; M43-V367 HydrophobicContact SD-CB 4.29Å; M43-V367 HydrophobicContact SD-CG2 3.81Å; L363-V367 WeakPolarHBondContact O-CB 3.36Å; L363-V367 WeakPolarHBondContact O-CG2 3.35Å; L363-V367 PolarHBondContact O-N 2.83Å; V367-Q369 VanDerWaalsContact C-N 3.3Å; V367-Q369 PolarHBondContact O-N 2.91Å; V367-F370 PolarHBondContact O-N 3.46Å; V367-F370 VanDerWaalsContact O-N 3.16Å; V367-L371 HydrophobicContact CG1-CD1 3.63Å; V367-L371 HydrophobicContact CG1-CG 3.99Å; V367-L371 WeakPolarHBondContact O-CB 3.49Å; V367-L371 WeakPolarHBondContact O-CG 3.33Å; V367-L371 PolarHBondContact O-N 3.17Å
368F85Confident83.5Confident117 Ų11774.3 Ų74.351%0.51337%0.368SS..Hα-helixtrans-53.8-47.2172.3173.8-93.2000111.6D364 F370 L371 Y372D364-F368 WeakPolarHBondContact O-CB 3.2Å; D364-F368 PolarHBondContact O-N 2.97Å; F368-F370 PolarHBondContact O-N 2.93Å; F368-L371 PolarHBondContact O-N 2.92Å; F368-Y372 VanDerWaalsContact O-CB 3.24Å; F368-Y372 WeakPolarHBondContact O-CB 3.24Å; F368-Y372 PolarHBondContact O-N 3.03Å
369Q86.5Confident82.3Confident108 Ų10874.3 Ų74.351%0.50537%0.367SS..Hα-helixtrans-63.9-41.2178.2-175.165.24.300112A365 S366 V367 Y372 V373A365-Q369 VanDerWaalsContact O-CB 3.29Å; A365-Q369 WeakPolarHBondContact O-CB 3.39Å; A365-Q369 PolarHBondContact O-N 3.18Å; S366-Q369 PolarHBondContact O-N 3.07Å; V367-Q369 VanDerWaalsContact C-N 3.3Å; V367-Q369 PolarHBondContact O-N 2.91Å; Q369-Y372 PolarHBondContact O-N 3.47Å; Q369-V373 VanDerWaalsContact O-CG2 3.31Å; Q369-V373 WeakPolarHBondContact O-CG2 3.36Å; Q369-V373 PolarHBondContact O-N 3.32Å
370F85.4Confident81Confident131 Ų13173.3 Ų73.358%0.57537%0.367SS*.Hα-helixtrans-62.7-48.7174.1173.5-100.6000111.8S366 V367 F368 Y372 V373 V374S366-F370 WeakPolarHBondContact O-CB 3.37Å; S366-F370 PolarHBondContact O-N 3.48Å; V367-F370 PolarHBondContact O-N 3.46Å; V367-F370 VanDerWaalsContact O-N 3.16Å; F368-F370 PolarHBondContact O-N 2.93Å; F370-Y372 VanDerWaalsContact C-N 3.28Å; F370-Y372 PolarHBondContact O-N 3.38Å; F370-V373 PolarHBondContact O-N 3.21Å; F370-V374 HydrophobicContact CD1-CG2 4.31Å; F370-V374 HydrophobicContact CD2-CG2 4.35Å; F370-V374 HydrophobicContact CE1-CG2 3.9Å; F370-V374 HydrophobicContact CE2-CG2 3.94Å; F370-V374 HydrophobicContact CZ-CG2 3.7Å; F370-V374 WeakPolarHBondContact O-CB 3.46Å; F370-V374 WeakPolarHBondContact O-CG2 3.32Å; F370-V374 PolarHBondContact O-N 3.43Å
371L83.6Confident79.3Confident14 Ų1474 Ų747%0.07338%0.378CS..Hα-helixtrans-65.1-32.1178.1-60174.9000111.4N46 L47 T50 V367 F368 N375N46-L371 HydrophobicContact CB-CD1 4Å; L47-L371 HydrophobicContact CD1-CD2 4.12Å; T50-L371 HydrophobicContact CG2-CB 4.41Å; T50-L371 HydrophobicContact CG2-CD2 3.73Å; V367-L371 HydrophobicContact CG1-CD1 3.63Å; V367-L371 HydrophobicContact CG1-CG 3.99Å; V367-L371 WeakPolarHBondContact O-CB 3.49Å; V367-L371 WeakPolarHBondContact O-CG 3.33Å; V367-L371 PolarHBondContact O-N 3.17Å; F368-L371 PolarHBondContact O-N 2.92Å; L371-N375 WeakPolarHBondContact O-CB 3.36Å; L371-N375 PolarHBondContact O-N 3.18Å
372Y83.4Confident77.6Confident137 Ų13771.7 Ų71.754%0.53737%0.368SS..Hα-helixtrans-67.6-45.4171.8-178.5-86.7000112.1F368 Q369 F370 N375 S376F368-Y372 VanDerWaalsContact O-CB 3.24Å; F368-Y372 WeakPolarHBondContact O-CB 3.24Å; F368-Y372 PolarHBondContact O-N 3.03Å; Q369-Y372 PolarHBondContact O-N 3.47Å; F370-Y372 VanDerWaalsContact C-N 3.28Å; F370-Y372 PolarHBondContact O-N 3.38Å; Y372-N375 PolarHBondContact O-N 2.88Å; Y372-S376 VanDerWaalsContact O-CB 3.31Å; Y372-S376 WeakPolarHBondContact O-CB 3.45Å; Y372-S376 PolarHBondContact O-N 3.4Å; Y372-S376 PolarHBondContact O-OG 3.24Å
373V82.6Confident75.7Confident67 Ų6768.4 Ų68.441%0.40636%0.363SS..Hα-helixtrans-62.7-42.3174.3169.50000110.8Q369 F370 S376 N377Q369-V373 VanDerWaalsContact O-CG2 3.31Å; Q369-V373 WeakPolarHBondContact O-CG2 3.36Å; Q369-V373 PolarHBondContact O-N 3.32Å; F370-V373 PolarHBondContact O-N 3.21Å; V373-S376 WeakPolarHBondContact CA-OG 3.44Å; V373-S376 PolarHBondContact O-OG 3.39Å; V373-N377 WeakPolarHBondContact O-CB 3.16Å; V373-N377 PolarHBondContact O-N 2.89Å; V373-N377 PolarHBondContact O-ND2 3.3Å
374V76.5Confident73.8Confident35 Ų3570.7 Ų70.721%0.21237%0.372CS..Hα-helixtrans-63.6-49.7174.9167.60000110.9I54 F370 S376 N377 L378I54-V374 HydrophobicContact CD1-CG1 4.39Å; F370-V374 HydrophobicContact CD1-CG2 4.31Å; F370-V374 HydrophobicContact CD2-CG2 4.35Å; F370-V374 HydrophobicContact CE1-CG2 3.9Å; F370-V374 HydrophobicContact CE2-CG2 3.94Å; F370-V374 HydrophobicContact CZ-CG2 3.7Å; F370-V374 WeakPolarHBondContact O-CB 3.46Å; F370-V374 WeakPolarHBondContact O-CG2 3.32Å; F370-V374 PolarHBondContact O-N 3.43Å; V374-S376 PolarHBondContact O-N 3.33Å; V374-N377 PolarHBondContact O-N 2.98Å; V374-L378 HydrophobicContact CG1-CD1 3.54Å; V374-L378 HydrophobicContact CG1-CG 4.22Å; V374-L378 WeakPolarHBondContact O-CB 3.32Å; V374-L378 WeakPolarHBondContact O-CG 3.48Å; V374-L378 PolarHBondContact O-N 2.98Å
375N73.4Confident71.7Confident51 Ų5172.6 Ų72.627%0.27340%0.397SS..Hα-helixtrans-65.5-40.2-178.8-171.3-2.3000112.4L371 Y372 L378 K379L371-N375 WeakPolarHBondContact O-CB 3.36Å; L371-N375 PolarHBondContact O-N 3.18Å; Y372-N375 PolarHBondContact O-N 2.88Å; N375-L378 PolarHBondContact O-N 3.45Å; N375-K379 WeakPolarHBondContact O-CB 3.39Å; N375-K379 WeakPolarHBondContact O-CG 3.41Å; N375-K379 PolarHBondContact O-N 2.94Å; N375-K379 WeakPolarHBondContact OD1-CE 3.33Å
376S76.1Confident69.5Low49 Ų4974.9 Ų74.934%0.34340%0.399SS..Hα-helixtrans-65.1-43.4175.353.40000112Y372 V373 V374 K379 Q380Y372-S376 VanDerWaalsContact O-CB 3.31Å; Y372-S376 WeakPolarHBondContact O-CB 3.45Å; Y372-S376 PolarHBondContact O-N 3.4Å; Y372-S376 PolarHBondContact O-OG 3.24Å; V373-S376 WeakPolarHBondContact CA-OG 3.44Å; V373-S376 PolarHBondContact O-OG 3.39Å; V374-S376 PolarHBondContact O-N 3.33Å; S376-K379 PolarHBondContact O-N 3.45Å; S376-Q380 WeakPolarHBondContact O-CB 3.27Å; S376-Q380 PolarHBondContact O-N 2.92Å
377N70.7Confident67.1Low89 Ų8977.9 Ų77.948%0.47641%0.406SS..Hα-helixtrans-63.8-43.5172.2-82.7-83.7000112.3V373 V374 K379 Q380 T381V373-N377 WeakPolarHBondContact O-CB 3.16Å; V373-N377 PolarHBondContact O-N 2.89Å; V373-N377 PolarHBondContact O-ND2 3.3Å; V374-N377 PolarHBondContact O-N 2.98Å; N377-K379 PolarHBondContact O-N 3.04Å; N377-Q380 CarbonylContact O-C 3.59Å; N377-Q380 WeakPolarHBondContact O-CA 3.36Å; N377-Q380 WeakPolarHBondContact O-CB 3.09Å; N377-Q380 PolarHBondContact O-N 3.46Å; N377-T381 WeakPolarHBondContact O-CG2 3.33Å; N377-T381 PolarHBondContact O-N 3.17Å
378L66.6Low65Low34 Ų3483.3 Ų83.318%0.17843%0.434CS..Hα-helixtrans-59.8-46.9177.2-73.1166.2000111.1I54 V57 V374 N375 Q380 T381 T382I54-L378 HydrophobicContact CG1-CD1 3.68Å; V57-L378 HydrophobicContact CG1-CD2 3.87Å; V374-L378 HydrophobicContact CG1-CD1 3.54Å; V374-L378 HydrophobicContact CG1-CG 4.22Å; V374-L378 WeakPolarHBondContact O-CB 3.32Å; V374-L378 WeakPolarHBondContact O-CG 3.48Å; V374-L378 PolarHBondContact O-N 2.98Å; N375-L378 PolarHBondContact O-N 3.45Å; L378-Q380 PolarHBondContact O-N 3.47Å; L378-T381 WeakPolarHBondContact CA-OG1 3.47Å; L378-T381 CarbonylContact O-C 3.59Å; L378-T381 WeakPolarHBondContact O-CA 3.15Å; L378-T381 PolarHBondContact O-N 2.89Å; L378-T381 PolarHBondContact O-OG1 3.27Å; L378-T382 PolarHBondContact O-N 2.87Å; L378-T382 PolarHBondContact O-OG1 3.32Å
379K65.3Low62.7Low132 Ų13285.1 Ų85.157%0.57444%0.441SS*.Hα-helixtrans-57.3-37.6171.7-74.5171.8176.6175.90112.2N375 S376 N377 T381 T382 A383N375-K379 WeakPolarHBondContact O-CB 3.39Å; N375-K379 WeakPolarHBondContact O-CG 3.41Å; N375-K379 PolarHBondContact O-N 2.94Å; N375-K379 WeakPolarHBondContact OD1-CE 3.33Å; S376-K379 PolarHBondContact O-N 3.45Å; N377-K379 PolarHBondContact O-N 3.04Å; K379-T381 PolarHBondContact O-N 3.47Å; K379-T382 PolarHBondContact O-OG1 3.04Å; K379-A383 VanDerWaalsContact O-CB 3.3Å; K379-A383 WeakPolarHBondContact O-CB 3.44Å; K379-A383 PolarHBondContact O-N 2.55Å
380Q62Low60.3Low106 Ų10685.6 Ų85.650%0.49545%0.452SS..Hα-helixtrans-75.71.8174.2-126.2-166.134.200114.9S376 N377 L378 K387S376-Q380 WeakPolarHBondContact O-CB 3.27Å; S376-Q380 PolarHBondContact O-N 2.92Å; N377-Q380 CarbonylContact O-C 3.59Å; N377-Q380 WeakPolarHBondContact O-CA 3.36Å; N377-Q380 WeakPolarHBondContact O-CB 3.09Å; N377-Q380 PolarHBondContact O-N 3.46Å; L378-Q380 PolarHBondContact O-N 3.47Å; Q380-K387 VanDerWaalsContact CD-NZ 3.3Å; Q380-K387 PolarHBondContact O-NZ 3.48Å
381T53.5Low58Low71 Ų7184 Ų8444%0.43645%0.453SS..Hα-helixtrans-117.7-30.417260.20000113.2N377 L378 K379 A383 F384N377-T381 WeakPolarHBondContact O-CG2 3.33Å; N377-T381 PolarHBondContact O-N 3.17Å; L378-T381 WeakPolarHBondContact CA-OG1 3.47Å; L378-T381 CarbonylContact O-C 3.59Å; L378-T381 WeakPolarHBondContact O-CA 3.15Å; L378-T381 PolarHBondContact O-N 2.89Å; L378-T381 PolarHBondContact O-OG1 3.27Å; K379-T381 PolarHBondContact O-N 3.47Å; T381-A383 VanDerWaalsContact C-N 3.26Å; T381-F384 WeakPolarHBondContact O-CD2 3.29Å; T381-F384 WeakPolarHBondContact O-CE2 3.48Å
382T52.3Low55.9Low40 Ų4085.1 Ų85.125%0.24546%0.464CS..Hα-helixtrans-76.2-15.9167.153.70000113V57 V61 L378 K379 F384V57-T382 HydrophobicContact CB-CG2 4.11Å; V57-T382 HydrophobicContact CG1-CG2 3.46Å; V57-T382 VanDerWaalsContact CG1-CG2 3.46Å; V57-T382 HydrophobicContact CG2-CG2 3.89Å; V61-T382 HydrophobicContact CG2-CG2 4.08Å; L378-T382 PolarHBondContact O-N 2.87Å; L378-T382 PolarHBondContact O-OG1 3.32Å; K379-T382 PolarHBondContact O-OG1 3.04Å; T382-F384 PolarHBondContact O-N 3.48Å
383A49.7Very low54Low56 Ų5684.3 Ų84.346%0.46347%0.473SS..  trans-6469.5152.600000110.5K379 T381 G385K379-A383 VanDerWaalsContact O-CB 3.3Å; K379-A383 WeakPolarHBondContact O-CB 3.44Å; K379-A383 PolarHBondContact O-N 2.55Å; T381-A383 VanDerWaalsContact C-N 3.26Å; A383-G385 PolarHBondContact O-N 2.94Å; A383-G385 VanDerWaalsContact O-O 3.09Å
384F49.2Very low52.4Low89 Ų8982.9 Ų82.939%0.3947%0.465SS..  trans-75.418.2164.7-95.6-79.2000112.6V61 T381 T382 M386V61-F384 HydrophobicContact CB-CE2 4.48Å; V61-F384 HydrophobicContact CG1-CE2 3.95Å; V61-F384 HydrophobicContact CG1-CZ 4.43Å; V61-F384 HydrophobicContact CG2-CE2 4.02Å; T381-F384 WeakPolarHBondContact O-CD2 3.29Å; T381-F384 WeakPolarHBondContact O-CE2 3.48Å; T382-F384 PolarHBondContact O-N 3.48Å; F384-M386 PolarHBondContact O-N 3.37Å; F384-M386 VanDerWaalsContact O-N 3.11Å
385G42.3Very low51.1Low62 Ų6286.4 Ų86.464%0.63949%0.491SS*.SBendtrans-61.6107.7144.700000106.3A383 K387A383-G385 PolarHBondContact O-N 2.94Å; A383-G385 VanDerWaalsContact O-O 3.09Å; G385-K387 PolarHBondContact O-N 2.87Å
386M41.1Very low50.5Low104 Ų10486.9 Ų86.951%0.51251%0.507SS..  trans-45.1110.4-169.5-66.4-176.2-61.800110.1L75 F384 D388L75-M386 HydrophobicContact CD1-CE 4.16Å; L75-M386 HydrophobicContact CD2-CE 3.98Å; L75-M386 HydrophobicContact CD2-SD 3.82Å; F384-M386 PolarHBondContact O-N 3.37Å; F384-M386 VanDerWaalsContact O-N 3.11Å; M386-D388 PolarHBondContact O-N 2.93Å
387K38.6Very low49.9Very low109 Ų10991.8 Ų91.847%0.47454%0.536SS..  trans-69.2104.9-168.9-164.9174.5-174.3174.10107.5Q380 G385 K389Q380-K387 VanDerWaalsContact CD-NZ 3.3Å; Q380-K387 PolarHBondContact O-NZ 3.48Å; G385-K387 PolarHBondContact O-N 2.87Å; K387-K389 CarbonylContact O-C 3.59Å; K387-K389 VanDerWaalsContact O-C 3.27Å; K387-K389 WeakPolarHBondContact O-CA 3.48Å; K387-K389 PolarHBondContact O-N 3.46Å
388D41.9Very low49.6Very low148 Ų14890 Ų9079%0.79154%0.538SS*.SBendtrans-62.19.3-167.3-77.3-47.2000116M386 V390M386-D388 PolarHBondContact O-N 2.93Å; D388-V390 PolarHBondContact O-N 3.14Å
389K35Very low49.4Very low155 Ų15596.5 Ų96.567%0.67457%0.572SS**  trans-68.455.5145.2-65.5-160174.7-165.40111.7K387 T391K387-K389 CarbonylContact O-C 3.59Å; K387-K389 VanDerWaalsContact O-C 3.27Å; K387-K389 WeakPolarHBondContact O-CA 3.48Å; K387-K389 PolarHBondContact O-N 3.46Å; K389-T391 PolarHBondContact O-N 2.9Å
390V37.2Very low49.2Very low119 Ų11996.1 Ų96.172%0.72158%0.58SS**  trans-59.6101.5132.8174.90000104.3D388 A392D388-V390 PolarHBondContact O-N 3.14Å; V390-A392 PolarHBondContact O-N 3.17Å
391T36.1Very low48.8Very low98 Ų9891.3 Ų91.360%0.60156%0.559SS**  trans-58.9107172.343.20000107.4K389 V393K389-T391 PolarHBondContact O-N 2.9Å; T391-V393 PolarHBondContact O-N 3.3Å
392A39.9Very low49.1Very low37 Ų3792.9 Ų92.931%0.30656%0.564SS.*  trans-72.377.5-176.600000109.6V390 V394 Y404V390-A392 PolarHBondContact O-N 3.17Å; A392-V394 HydrophobicContact CB-CG2 3.74Å; A392-V394 WeakPolarHBondContact O-CG2 3.35Å; A392-V394 PolarHBondContact O-N 3.49Å; A392-Y404 HydrophobicContact CB-CD1 3.51Å; A392-Y404 HydrophobicContact CB-CE1 4.31Å; A392-Y404 HydrophobicContact CB-CG 3.88Å
393V43.4Very low49.7Very low119 Ų11996.1 Ų96.172%0.72159%0.585SS**  trans-72.279.8165.5-177.90000106.1T391 S395T391-V393 PolarHBondContact O-N 3.3Å; V393-S395 PolarHBondContact O-N 2.93Å
394V48.9Very low50.1Low38 Ų38100.2 Ų100.223%0.2359%0.589CS.*  trans-83.2106.3-173.3-168.70000109.6A392 A401 Y404 K405A392-V394 HydrophobicContact CB-CG2 3.74Å; A392-V394 WeakPolarHBondContact O-CG2 3.35Å; A392-V394 PolarHBondContact O-N 3.49Å; V394-A401 VanDerWaalsContact CB-O 3.25Å; V394-A401 WeakPolarHBondContact CB-O 3.36Å; V394-A401 HydrophobicContact CG1-CB 4.26Å; V394-A401 VanDerWaalsContact CG1-O 3.24Å; V394-A401 WeakPolarHBondContact CG1-O 3.18Å; V394-Y404 VanDerWaalsContact CG2-CB 3.45Å; V394-Y404 HydrophobicContact CG2-CD2 4.04Å; V394-Y404 HydrophobicContact CG2-CG 3.86Å; V394-K405 WeakPolarHBondContact O-CE 3.44Å
395S50.3Low50.4Low109 Ų109101 Ų10176%0.76259%0.592SS**  trans-108.4129.5-177.5-63.80000110.3V393V393-S395 PolarHBondContact O-N 2.93Å
396G60.3Low51.2Low60 Ų60105.1 Ų105.162%0.61960%0.6SS**SBendtrans140.5157-178.100000110.8A401G396-A401 VanDerWaalsContact O-CB 3.31Å; G396-A401 WeakPolarHBondContact O-CB 3.43Å
397T62.8Low52Low153 Ų153106.9 Ų106.994%0.93961%0.61SS**SBendtrans-105.6117.3174.847.60000109.6
398G65.6Low52.6Low51 Ų51106 Ų10653%0.52661%0.613SS.*SBendtrans153.5167.1-179.200000111.9V400 A401G398-V400 PolarHBondContact O-N 3.33Å; G398-A401 VanDerWaalsContact O-CB 3.31Å; G398-A401 WeakPolarHBondContact O-CB 3.47Å; G398-A401 PolarHBondContact O-N 3.24Å
399L61.2Low52.8Low171 Ų171107.3 Ų107.390%0.89561%0.614SS**THydrogen-bonded Turntrans-54.2-25.8-169.2-172.664.9000115.3A401L399-A401 VanDerWaalsContact C-N 3.28Å; L399-A401 PolarHBondContact O-N 2.86Å
400V61Low53.2Low123 Ų123106.6 Ų106.675%0.74562%0.618SS**THydrogen-bonded Turntrans-76.4-14.3-177.8-173.60000112.5G398G398-V400 PolarHBondContact O-N 3.33Å
401A54.6Low53.3Low5 Ų5109.7 Ų109.74%0.04163%0.626CS.*SBendtrans-80.1-48.3-161.100000116V394 G396 G398 L399V394-A401 VanDerWaalsContact CB-O 3.25Å; V394-A401 WeakPolarHBondContact CB-O 3.36Å; V394-A401 HydrophobicContact CG1-CB 4.26Å; V394-A401 VanDerWaalsContact CG1-O 3.24Å; V394-A401 WeakPolarHBondContact CG1-O 3.18Å; G396-A401 VanDerWaalsContact O-CB 3.31Å; G396-A401 WeakPolarHBondContact O-CB 3.43Å; G398-A401 VanDerWaalsContact O-CB 3.31Å; G398-A401 WeakPolarHBondContact O-CB 3.47Å; G398-A401 PolarHBondContact O-N 3.24Å; L399-A401 VanDerWaalsContact C-N 3.28Å; L399-A401 PolarHBondContact O-N 2.86Å
402D60.1Low53.5Low104 Ų104111.1 Ų111.156%0.55664%0.636SS**G310 helixtrans-87.9-23.6-160.3-68.3-56.2000115.4Y404 K405D402-Y404 PolarHBondContact O-N 3.18Å; D402-K405 PolarHBondContact O-N 2.87Å; D402-K405 IonicContact OD1-NZ 2.66Å; D402-K405 PolarHBondContact OD1-NZ 2.84Å
403T64.5Low53.9Low109 Ų109114.7 Ų114.767%0.66966%0.655SS**G310 helixtrans-54.1-29.9-175.4-470000114.3
404Y58.8Low53.8Low141 Ų141116 Ų11655%0.55366%0.658SS**G310 helixtrans-82.1-15.5-170.5-91.4-82.8000115.7A392 V394 D402A392-Y404 HydrophobicContact CB-CD1 3.51Å; A392-Y404 HydrophobicContact CB-CE1 4.31Å; A392-Y404 HydrophobicContact CB-CG 3.88Å; V394-Y404 VanDerWaalsContact CG2-CB 3.45Å; V394-Y404 HydrophobicContact CG2-CD2 4.04Å; V394-Y404 HydrophobicContact CG2-CG 3.86Å; D402-Y404 PolarHBondContact O-N 3.18Å
405K55.5Low53.6Low105 Ų105120 Ų12046%0.45768%0.683SS.*THydrogen-bonded Turntrans-78.4-25-164.8-66.8168-173.4165.40114.5V394 D402 I407V394-K405 WeakPolarHBondContact O-CE 3.44Å; D402-K405 PolarHBondContact O-N 2.87Å; D402-K405 IonicContact OD1-NZ 2.66Å; D402-K405 PolarHBondContact OD1-NZ 2.84Å; K405-I407 PolarHBondContact O-N 3.27Å
406N58Low53.4Low149 Ų149118.5 Ų118.580%0.79768%0.677SS**THydrogen-bonded Turntrans-86.41.2-161.6-65.9-15.7000116.7
407I57.7Low52.5Low142 Ų142124.1 Ų124.173%0.72869%0.687SS**SBendtrans-99.4-0-157-64.7172.5000114.7K405K405-I407 PolarHBondContact O-N 3.27Å
408V51.3Low51.6Low90 Ų90122.2 Ų122.255%0.54568%0.677SS.*  trans-105.7-11.8-145.4-1750000118.4
409H46.5Very low50.4Low176 Ų176127.5 Ų127.582%0.81569%0.688SS**  trans-96.1-51.6-143.7-153.4-96.2000123.5
410D43.4Very low49.1Very low140 Ų140128 Ų12875%0.74968%0.683SS**  trans-112145.5-150-60.4-36.7000121.8
411M38.8Very low47.7Very low183 Ų183130.5 Ų130.590%0.90169%0.689SS**  trans-172.6166.7169.6-75.1-154.4-178.400115.3
412T41.9Very low46.1Very low129 Ų129132.8 Ų132.879%0.79170%0.7SS**  cis-150.7-93.3-32.8320000119.6
413P47.7Very low44.4Very low111 Ų111135.7 Ų135.772%0.72170%0.704SS**  trans-127.4-164.1-150.937.9-15000117.5
414N41.7Very low43.5Very low146 Ų146138.9 Ų138.978%0.78171%0.709SS**  cis-168.5-166.55.9-123.820.9000109.5
415V44.6Very low43.1Very low123 Ų123133.7 Ų133.775%0.74570%0.695SS**  cis158.7150.6-30155.50000109.1
416A46.2Very low43.4Very low78 Ų78131.7 Ų131.765%0.64569%0.685SS**  cis-168.5-167.7-11.800000109.4
417E41.7Very low44.3Very low177 Ų177129 Ų12983%0.82767%0.674SS**  cis-168.5179.6-3.1-121.6164.5-89.400112.8
418P42.6Very low45.4Very low113 Ų113125.6 Ų125.673%0.73465%0.652SS**  trans-122.1-160.7-166.745.7-36.8000120.4
419E40.2Very low46.7Very low163 Ų163121.4 Ų121.476%0.76263%0.626SS**  trans144.7169.7150.2-78-158.6116.300122.3
420K34.5Very low48.3Very low180 Ų180117 Ų11778%0.78361%0.608SS**  trans106.4163.5143.2-50.7-156.9177.4171.50127
421M30.7Very low50.3Low177 Ų177111.8 Ų111.887%0.87258%0.58SS**  trans-162.8171.2-175-127.3-168.5-156.800116.4
422M21.7Very low52.4Low53 Ų53103.1 Ų103.126%0.26154%0.537SS..  trans-162.3169.5173.4-153.5-141.667.800115.4P346 V347 V350P346-M422 HydrophobicContact CB-CE 4.39Å; V347-M422 HydrophobicContact CG2-CB 4.37Å; V347-M422 HydrophobicContact CG2-CE 4.2Å; V350-M422 HydrophobicContact CG2-SD 3.87Å
423Y24.9Very low54.3Low164 Ų16498.1 Ų98.164%0.64351%0.505SS*.  trans-151.6-3.9-164.1-134.9-96.7000126.8F343F343-Y423 AromaticContact CE2-CD1 3.94Å; F343-Y423 HydrophobicContact CE2-CD1 3.94Å; F343-Y423 AromaticContact CE2-CD2 3.61Å; F343-Y423 HydrophobicContact CE2-CD2 3.61Å; F343-Y423 HydrophobicContact CE2-CE1 4.18Å; F343-Y423 AromaticContact CE2-CE2 3.89Å; F343-Y423 HydrophobicContact CE2-CE2 3.89Å; F343-Y423 AromaticContact CE2-CG 3.64Å; F343-Y423 HydrophobicContact CE2-CG 3.64Å; F343-Y423 WeakPolarHBondContact CE2-O 2.95Å; F343-Y423 AromaticContact CZ-CD2 3.61Å; F343-Y423 HydrophobicContact CZ-CD2 3.61Å; F343-Y423 AromaticContact CZ-CE2 3.82Å; F343-Y423 HydrophobicContact CZ-CE2 3.82Å; F343-Y423 HydrophobicContact CZ-CG 4.11Å
424F44.4Very low56.1Low176 Ų17698.1 Ų98.177%0.77250%0.499SS*.  trans-88.7-23.4-135.5-129-92.7000128.4
425A50.2Low58.1Low32 Ų3294.7 Ų94.726%0.26448%0.475SS..  trans-98.6147.9-147.600000121.9T20T20-A425 HydrophobicContact CG2-CB 4.14Å
426R63.8Low60Low64 Ų6488.9 Ų88.924%0.24244%0.44CS..  trans-155.4-69169-95-141.417199.5-6.9125.1A331 L332 R333 E338 R428A331-R426 PolarHBondContact O-NH1 3.39Å; L332-R426 PolarHBondContact O-NH1 2.96Å; R333-R426 PolarHBondContact O-NH2 2.91Å; E338-R426 IonicContact OE1-CZ 3.79Å; E338-R426 IonicContact OE1-NE 3.88Å; E338-R426 PolarHBondContact OE1-NE 3.33Å; E338-R426 IonicContact OE1-NH2 2.88Å; E338-R426 PolarHBondContact OE1-NH2 3.38Å; E338-R426 IonicContact OE2-CZ 2.69Å; E338-R426 IonicContact OE2-NE 3.32Å; E338-R426 IonicContact OE2-NH2 3.49Å; E338-R426 PolarHBondContact OE2-NH2 3Å; R426-R428 PolarHBondContact O-N 3.37Å; R426-R428 VanDerWaalsContact O-N 3.08Å
427T75.9Confident61.7Low93 Ų9387.8 Ų87.857%0.57143%0.426SS*.  trans-63.31.8-131.139.10000125.1P16 S429P16-T427 WeakPolarHBondContact CB-OG1 3.41Å; T427-S429 PolarHBondContact O-N 2.98Å
428R81.4Confident63.6Low70 Ų7084.3 Ų84.326%0.26441%0.41SS..THydrogen-bonded Turntrans-54.9-53.5-158-67.2160.765.6154.14119.2P16 V17 Y281 R426 L430 I431P16-R428 HydrophobicContact CG-CG 4.35Å; V17-R428 HydrophobicContact CG2-CG 3.98Å; Y281-R428 VanDerWaalsContact CB-NH2 3.26Å; Y281-R428 HydrophobicContact CE1-CB 4.24Å; R426-R428 PolarHBondContact O-N 3.37Å; R426-R428 VanDerWaalsContact O-N 3.08Å; R428-L430 PolarHBondContact O-N 2.88Å; R428-I431 PolarHBondContact O-N 3.32Å; R428-I431 VanDerWaalsContact O-N 3.12Å
429S78.1Confident65.5Low2 Ų279.5 Ų79.51%0.01438%0.377CS..Hα-helixtrans-61.2-20.2-165.3129.20000115.8Y281 E292 R329 T427 I431 E433Y281-S429 VanDerWaalsContact OH-CA 3.22Å; Y281-S429 WeakPolarHBondContact OH-CA 3.41Å; Y281-S429 WeakPolarHBondContact OH-CB 3.48Å; Y281-S429 PolarHBondContact OH-N 2.91Å; E292-S429 WeakPolarHBondContact OE2-CB 3.42Å; R329-S429 PolarHBondContact NH1-OG 3.04Å; T427-S429 PolarHBondContact O-N 2.98Å; S429-I431 PolarHBondContact O-N 2.83Å; S429-E433 PolarHBondContact OG-OE1 2.57Å; S429-E433 VanDerWaalsContact OG-OE1 3.11Å
430L80.6Confident67.4Low83 Ų8372.6 Ų72.644%0.43535%0.345SS..Hα-helixtrans-62.3-33.9177.9-178.361.7000112R428 E433 L434R428-L430 PolarHBondContact O-N 2.88Å; L430-E433 PolarHBondContact O-N 2.82Å; L430-L434 WeakPolarHBondContact O-CG 3.4Å; L430-L434 PolarHBondContact O-N 2.72Å
431I84.1Confident69.7Low31 Ų3172.9 Ų72.916%0.15934%0.341CS..Hα-helixtrans-71.7-42.2-172.6-59.4-175000110.8C12 I13 P16 R428 S429 E433 L434 Y435C12-I431 HydrophobicContact CB-CD1 4.43Å; C12-I431 HydrophobicContact CB-CG2 3.4Å; C12-I431 WeakPolarHBondContact O-CD1 3.43Å; I13-I431 HydrophobicContact CG1-CB 4.45Å; I13-I431 HydrophobicContact CG1-CG2 4.14Å; P16-I431 HydrophobicContact CG-CD1 3.89Å; R428-I431 PolarHBondContact O-N 3.32Å; R428-I431 VanDerWaalsContact O-N 3.12Å; S429-I431 PolarHBondContact O-N 2.83Å; I431-E433 VanDerWaalsContact C-N 3.29Å; I431-E433 PolarHBondContact O-N 3.11Å; I431-L434 WeakPolarHBondContact O-CB 3.33Å; I431-L434 PolarHBondContact O-N 2.92Å; I431-L434 VanDerWaalsContact O-N 3.15Å; I431-Y435 HydrophobicContact CG2-CD2 4.17Å; I431-Y435 HydrophobicContact CG2-CE2 4.32Å; I431-Y435 PolarHBondContact O-N 3.18Å; I431-Y435 VanDerWaalsContact O-N 3.13Å
432C83.5Confident72.1Confident0 Ų066.3 Ų66.30%031%0.312CS..Hα-helixtrans-65.5-32.9177.6-53.10000112.4I13 Y281 F285 L434 Y435 Y436I13-C432 VanDerWaalsContact CD1-SG 3.51Å; Y281-C432 VanDerWaalsContact CE1-SG 3.55Å; F285-C432 HydrophobicContact CD1-CB 3.64Å; F285-C432 HydrophobicContact CD2-CB 3.63Å; F285-C432 HydrophobicContact CE1-CB 3.52Å; F285-C432 HydrophobicContact CE2-CB 3.51Å; F285-C432 HydrophobicContact CG-CB 3.71Å; F285-C432 HydrophobicContact CZ-CB 3.46Å; F285-C432 VanDerWaalsContact CZ-CB 3.46Å; C432-L434 VanDerWaalsContact C-N 3.32Å; C432-Y435 PolarHBondContact O-N 3.4Å; C432-Y436 PolarHBondContact O-N 3.12Å
433E82.6Confident75Confident25 Ų2564 Ų6412%0.11730%0.301CS..Hα-helixtrans-69.2-28.3175.1-69.8168-149.300112.7F285 R329 S429 L430 I431 I440 R443F285-E433 HydrophobicContact CE2-CG 4.27Å; F285-E433 HydrophobicContact CZ-CG 3.83Å; R329-E433 IonicContact CZ-OE1 3.6Å; R329-E433 IonicContact CZ-OE2 2.76Å; R329-E433 IonicContact NH1-OE1 3.74Å; R329-E433 IonicContact NH2-OE1 2.66Å; R329-E433 PolarHBondContact NH2-OE1 3.4Å; R329-E433 IonicContact NH2-OE2 2.67Å; R329-E433 PolarHBondContact NH2-OE2 2.85Å; S429-E433 PolarHBondContact OG-OE1 2.57Å; S429-E433 VanDerWaalsContact OG-OE1 3.11Å; L430-E433 PolarHBondContact O-N 2.82Å; I431-E433 VanDerWaalsContact C-N 3.29Å; I431-E433 PolarHBondContact O-N 3.11Å; E433-I440 HydrophobicContact CB-CD1 4.42Å; E433-I440 HydrophobicContact CB-CG1 4.39Å; E433-R443 IonicContact OE1-NH2 2.72Å
434L84.6Confident77.9Confident111 Ų11157.1 Ų57.158%0.58127%0.274SS*.Hα-helixtrans-73.6-45.3172.6-67.1170.4000111.8L430 I431 C432L430-L434 WeakPolarHBondContact O-CG 3.4Å; L430-L434 PolarHBondContact O-N 2.72Å; I431-L434 WeakPolarHBondContact O-CB 3.33Å; I431-L434 PolarHBondContact O-N 2.92Å; I431-L434 VanDerWaalsContact O-N 3.15Å; C432-L434 VanDerWaalsContact C-N 3.32Å
435Y83.8Confident79.7Confident73 Ų7351.7 Ų51.729%0.28626%0.258SS..Hα-helixtrans-73.5-34.2-179.2-85.6-93.8000113.4R5 G8 C9 C12 I431 C432 P437R5-Y435 HydrophobicContact CG-CD1 4.42Å; R5-Y435 PolarHBondContact NE-O 2.72Å; R5-Y435 PolarHBondContact NH2-O 3.01Å; G8-Y435 VanDerWaalsContact C-CE1 3.45Å; G8-Y435 VanDerWaalsContact C-CZ 3.48Å; G8-Y435 PolarHBondContact O-OH 3.4Å; C9-Y435 HydrophobicContact CB-CD1 3.63Å; C9-Y435 HydrophobicContact CB-CD2 3.96Å; C9-Y435 HydrophobicContact CB-CE1 4.28Å; C9-Y435 HydrophobicContact CB-CG 3.46Å; C9-Y435 VanDerWaalsContact CB-CG 3.46Å; C9-Y435 VanDerWaalsContact N-CE1 3.31Å; C9-Y435 VanDerWaalsContact SG-CB 3.6Å; C12-Y435 HydrophobicContact CB-CE2 3.94Å; C12-Y435 PolarHBondContact SG-OH 2.99Å; C12-Y435 VanDerWaalsContact SG-OH 3.36Å; I431-Y435 HydrophobicContact CG2-CD2 4.17Å; I431-Y435 HydrophobicContact CG2-CE2 4.32Å; I431-Y435 PolarHBondContact O-N 3.18Å; I431-Y435 VanDerWaalsContact O-N 3.13Å; C432-Y435 PolarHBondContact O-N 3.4Å; Y435-P437 WeakPolarHBondContact O-CD 3.48Å
436Y83.8Confident81.3Confident2 Ų252.4 Ų52.41%0.00826%0.258CS..  trans-124.369.3-176.2-65.6-92.3000112.1P6 C9 L282 M286 C432 E438 R439P6-Y436 VanDerWaalsContact CA-OH 3.28Å; P6-Y436 WeakPolarHBondContact CA-OH 3.45Å; C9-Y436 HydrophobicContact CB-CE2 3.89Å; L282-Y436 HydrophobicContact CD1-CD2 3.91Å; L282-Y436 HydrophobicContact CD1-CE2 3.56Å; L282-Y436 HydrophobicContact CD2-CE2 4.08Å; L282-Y436 HydrophobicContact CG-CE2 4.43Å; M286-Y436 HydrophobicContact CE-CD1 3.75Å; M286-Y436 HydrophobicContact CE-CE1 3.8Å; M286-Y436 HydrophobicContact SD-CD1 3.74Å; M286-Y436 HydrophobicContact SD-CE1 4.12Å; M286-Y436 HydrophobicContact SD-CG 3.97Å; C432-Y436 PolarHBondContact O-N 3.12Å; Y436-E438 PolarHBondContact O-N 3.5Å; Y436-R439 WeakPolarHBondContact O-CB 3.43Å; Y436-R439 PolarHBondContact O-N 2.79Å
437P82.1Confident82.2Confident54 Ų5449.4 Ų49.435%0.35125%0.246SC..G310 helixtrans-60.1-26177.627.7-35.4000112.6R5 Y435 R439 I440R5-P437 VanDerWaalsContact NH2-CD 3.31Å; Y435-P437 WeakPolarHBondContact O-CD 3.48Å; P437-R439 PolarHBondContact O-N 2.88Å; P437-I440 HydrophobicContact CB-CD1 4.2Å; P437-I440 VanDerWaalsContact O-CB 3.25Å; P437-I440 WeakPolarHBondContact O-CB 3.39Å; P437-I440 WeakPolarHBondContact O-CG1 3.42Å; P437-I440 PolarHBondContact O-N 2.93Å
438E81.2Confident82.6Confident105 Ų10545.9 Ų45.949%0.49122%0.224SC..G310 helixtrans-54.2-31171.42-69.6171.600112.5R5 Y436 I440 P442R5-E438 IonicContact CZ-OE1 3.13Å; R5-E438 IonicContact NH1-OE1 2.79Å; R5-E438 PolarHBondContact NH1-OE1 3.44Å; R5-E438 IonicContact NH2-OE1 2.72Å; R5-E438 PolarHBondContact NH2-OE1 3.42Å; Y436-E438 PolarHBondContact O-N 3.5Å; E438-I440 VanDerWaalsContact C-N 3.33Å; E438-P442 VanDerWaalsContact O-CD 3.27Å; E438-P442 WeakPolarHBondContact O-CD 3.04Å
439R82.5Confident82.4Confident11 Ų1148.3 Ų48.34%0.04224%0.236CC..G310 helixtrans-78.4-13.3176-61.6-52.2-59.6-142.2-4.4113.9F285 M286 D289 Y436 P437 R443F285-R439 HydrophobicContact CD1-CG 4.42Å; F285-R439 HydrophobicContact CE1-CB 3.85Å; F285-R439 HydrophobicContact CE1-CG 3.98Å; F285-R439 HydrophobicContact CZ-CB 4.46Å; M286-R439 VanDerWaalsContact O-CZ 3.25Å; M286-R439 PolarHBondContact O-NH1 3.29Å; M286-R439 PolarHBondContact O-NH2 2.94Å; M286-R439 HydrophobicContact SD-CG 3.7Å; D289-R439 IonicContact OD1-CZ 2.73Å; D289-R439 IonicContact OD1-NE 2.73Å; D289-R439 IonicContact OD1-NH2 3.59Å; D289-R439 PolarHBondContact OD1-NH2 3.41Å; D289-R439 IonicContact OD2-NH2 3.54Å; Y436-R439 WeakPolarHBondContact O-CB 3.43Å; Y436-R439 PolarHBondContact O-N 2.79Å; P437-R439 PolarHBondContact O-N 2.88Å; R439-R443 WeakPolarHBondContact O-CB 3.26Å; R439-R443 WeakPolarHBondContact O-CD 3.34Å; R439-R443 WeakPolarHBondContact O-CG 3.48Å; R439-R443 PolarHBondContact O-N 3.28Å; R439-R443 VanDerWaalsContact O-N 3.09Å
440I81.1Confident82.1Confident19 Ų1950 Ų5010%0.09725%0.247CC..Hα-helixtrans-66.6-50-177.4-62.9175.9000110.1E433 P437 E438 R443 L444E433-I440 HydrophobicContact CB-CD1 4.42Å; E433-I440 HydrophobicContact CB-CG1 4.39Å; P437-I440 HydrophobicContact CB-CD1 4.2Å; P437-I440 VanDerWaalsContact O-CB 3.25Å; P437-I440 WeakPolarHBondContact O-CB 3.39Å; P437-I440 WeakPolarHBondContact O-CG1 3.42Å; P437-I440 PolarHBondContact O-N 2.93Å; E438-I440 VanDerWaalsContact C-N 3.33Å; I440-R443 PolarHBondContact O-N 3.05Å; I440-L444 HydrophobicContact CG2-CD1 3.57Å; I440-L444 HydrophobicContact CG2-CD2 4.4Å; I440-L444 HydrophobicContact CG2-CG 3.72Å; I440-L444 WeakPolarHBondContact O-CB 3.13Å; I440-L444 VanDerWaalsContact O-CG 3.28Å; I440-L444 WeakPolarHBondContact O-CG 3.29Å; I440-L444 PolarHBondContact O-N 2.75Å
441R81.7Confident81.8Confident185 Ų18546.1 Ų46.170%0.69823%0.226SC*.Hα-helixtrans-55.3-51.1179.7-82.9-174.9-179-174.71.4112.7R443 L444 S445R441-R443 PolarHBondContact O-N 3.5Å; R441-L444 PolarHBondContact O-N 2.91Å; R441-S445 WeakPolarHBondContact O-CB 3.24Å; R441-S445 PolarHBondContact O-N 2.94Å
442P82.4Confident81.3Confident40 Ų4045.9 Ų45.926%0.2623%0.225SC..Hα-helixtrans-57.3-45.9173.8-27.535.4000113.9E438 S445 N446E438-P442 VanDerWaalsContact O-CD 3.27Å; E438-P442 WeakPolarHBondContact O-CD 3.04Å; P442-S445 PolarHBondContact O-N 3.26Å; P442-N446 VanDerWaalsContact O-CB 3.28Å; P442-N446 WeakPolarHBondContact O-CB 3.44Å; P442-N446 PolarHBondContact O-N 3.38Å
443R83.3Confident80.5Confident5 Ų549.1 Ų49.12%0.01925%0.248CC..Hα-helixtrans-67.7-39.2-179.1-69.5170.562.684.61.9112.7D289 L291 N293 E433 R439 I440 R441 N446 L447D289-R443 HydrophobicContact CB-CG 4.1Å; D289-R443 WeakPolarHBondContact OD1-CG 3.23Å; L291-R443 VanDerWaalsContact O-CZ 3.31Å; L291-R443 PolarHBondContact O-NH1 3.37Å; L291-R443 PolarHBondContact O-NH2 3.03Å; N293-R443 PolarHBondContact ND2-O 2.95Å; E433-R443 IonicContact OE1-NH2 2.72Å; R439-R443 WeakPolarHBondContact O-CB 3.26Å; R439-R443 WeakPolarHBondContact O-CD 3.34Å; R439-R443 WeakPolarHBondContact O-CG 3.48Å; R439-R443 PolarHBondContact O-N 3.28Å; R439-R443 VanDerWaalsContact O-N 3.09Å; I440-R443 PolarHBondContact O-N 3.05Å; R441-R443 PolarHBondContact O-N 3.5Å; R443-N446 PolarHBondContact O-N 3Å; R443-L447 WeakPolarHBondContact O-CB 3.49Å; R443-L447 PolarHBondContact O-N 3.4Å
444L84.9Confident79.5Confident18 Ų1850.8 Ų50.89%0.09426%0.262CS..Hα-helixtrans-66.7-41174.8-63-173.3000111.6R299 F300 F303 I440 R441 L447 H448R299-L444 HydrophobicContact CB-CD1 4.19Å; F300-L444 HydrophobicContact CB-CD2 3.82Å; F300-L444 HydrophobicContact CD2-CB 4.45Å; F300-L444 HydrophobicContact CD2-CD2 4.01Å; F300-L444 HydrophobicContact CG-CD2 4.42Å; F303-L444 HydrophobicContact CB-CB 4.38Å; F303-L444 HydrophobicContact CB-CD1 3.74Å; F303-L444 HydrophobicContact CD1-CB 3.78Å; F303-L444 HydrophobicContact CD2-CB 4.25Å; F303-L444 HydrophobicContact CD2-CD1 4.38Å; F303-L444 HydrophobicContact CE1-CB 4.02Å; F303-L444 HydrophobicContact CE2-CB 4.47Å; F303-L444 HydrophobicContact CG-CB 3.89Å; F303-L444 HydrophobicContact CG-CD1 4.05Å; F303-L444 HydrophobicContact CZ-CB 4.36Å; I440-L444 HydrophobicContact CG2-CD1 3.57Å; I440-L444 HydrophobicContact CG2-CD2 4.4Å; I440-L444 HydrophobicContact CG2-CG 3.72Å; I440-L444 WeakPolarHBondContact O-CB 3.13Å; I440-L444 VanDerWaalsContact O-CG 3.28Å; I440-L444 WeakPolarHBondContact O-CG 3.29Å; I440-L444 PolarHBondContact O-N 2.75Å; R441-L444 PolarHBondContact O-N 2.91Å; L444-L447 PolarHBondContact O-N 2.87Å; L444-H448 VanDerWaalsContact O-CB 3.3Å; L444-H448 WeakPolarHBondContact O-CB 3.37Å; L444-H448 PolarHBondContact O-N 2.88Å
445S82.9Confident78.4Confident62 Ų6247 Ų4743%0.43424%0.239SC..Hα-helixtrans-61.6-46.1172.9-1720000111.6R441 P442 L447 H448 F449R441-S445 WeakPolarHBondContact O-CB 3.24Å; R441-S445 PolarHBondContact O-N 2.94Å; P442-S445 PolarHBondContact O-N 3.26Å; S445-L447 PolarHBondContact O-N 2.96Å; S445-H448 PolarHBondContact O-N 2.86Å; S445-F449 WeakPolarHBondContact O-CB 3.28Å; S445-F449 PolarHBondContact O-N 3.42Å
446N83.2Confident77Confident48 Ų4844.9 Ų44.926%0.25724%0.241SC..Hα-helixtrans-61.4-40.6176.2179.7-104.8000112.5D289 N293 P442 R443 T450D289-N446 HydrophobicContact CB-CB 4Å; D289-N446 PolarHBondContact O-OD1 3.03Å; N293-N446 PolarHBondContact ND2-OD1 2.73Å; P442-N446 VanDerWaalsContact O-CB 3.28Å; P442-N446 WeakPolarHBondContact O-CB 3.44Å; P442-N446 PolarHBondContact O-N 3.38Å; R443-N446 PolarHBondContact O-N 3Å; N446-T450 WeakPolarHBondContact O-CB 3.38Å; N446-T450 PolarHBondContact O-N 2.88Å; N446-T450 PolarHBondContact O-OG1 2.99Å
447L83.5Confident75.8Confident0 Ų045.4 Ų45.40%025%0.245CC..Hα-helixtrans-67.9-44.6176177.455.3000111.7F300 F326 R443 L444 S445 T450 I451F300-L447 HydrophobicContact CD1-CD2 4.31Å; F300-L447 HydrophobicContact CD2-CB 4.25Å; F300-L447 HydrophobicContact CD2-CD2 3.66Å; F300-L447 HydrophobicContact CD2-CG 3.94Å; F300-L447 HydrophobicContact CE2-CB 3.95Å; F300-L447 HydrophobicContact CE2-CD2 3.91Å; F300-L447 HydrophobicContact CE2-CG 3.65Å; F300-L447 HydrophobicContact CG-CD2 3.89Å; F300-L447 HydrophobicContact CZ-CD2 4.36Å; F300-L447 HydrophobicContact CZ-CG 4.01Å; F326-L447 HydrophobicContact CD1-CD1 3.7Å; F326-L447 HydrophobicContact CE1-CD1 3.64Å; R443-L447 WeakPolarHBondContact O-CB 3.49Å; R443-L447 PolarHBondContact O-N 3.4Å; L444-L447 PolarHBondContact O-N 2.87Å; S445-L447 PolarHBondContact O-N 2.96Å; L447-T450 PolarHBondContact O-N 3.15Å; L447-I451 HydrophobicContact CD1-CD1 3.91Å; L447-I451 HydrophobicContact CD1-CG1 4.3Å; L447-I451 HydrophobicContact CG-CD1 4.11Å; L447-I451 WeakPolarHBondContact O-CG1 3.4Å; L447-I451 PolarHBondContact O-N 3.04Å
448H82.4Confident74.7Confident20 Ų2047 Ų479%0.09324%0.244CC..Hα-helixtrans-59.8-51.2176.9174.589.3000110.7F300 F303 D304 E313 L444 S445 T450 I451 L452F300-H448 HydrophobicContact CE2-CB 3.82Å; F300-H448 HydrophobicContact CZ-CB 4.23Å; F303-H448 HydrophobicContact CE1-CB 3.97Å; D304-H448 IonicContact OD1-CE1 3.75Å; D304-H448 PolarHBondContact OD1-CE1 2.85Å; D304-H448 VanDerWaalsContact OD1-CE1 3.26Å; D304-H448 IonicContact OD1-ND1 2.72Å; D304-H448 PolarHBondContact OD1-ND1 3.04Å; E313-H448 PolarHBondContact O-CE1 2.87Å; L444-H448 VanDerWaalsContact O-CB 3.3Å; L444-H448 WeakPolarHBondContact O-CB 3.37Å; L444-H448 PolarHBondContact O-N 2.88Å; S445-H448 PolarHBondContact O-N 2.86Å; H448-T450 VanDerWaalsContact C-N 3.32Å; H448-T450 PolarHBondContact O-N 3.36Å; H448-I451 PolarHBondContact O-N 3.44Å; H448-I451 VanDerWaalsContact O-N 3.14Å; H448-L452 VanDerWaalsContact NE2-CD1 3.33Å; H448-L452 WeakPolarHBondContact NE2-CD1 3.33Å; H448-L452 PolarHBondContact O-N 2.82Å
449F77.6Confident73.6Confident121 Ų12144.4 Ų44.453%0.53124%0.237SC..Hα-helixtrans-60.3-38.4174.3-178.6-95.9000112.5S445 I451 L452 S453S445-F449 WeakPolarHBondContact O-CB 3.28Å; S445-F449 PolarHBondContact O-N 3.42Å; F449-I451 VanDerWaalsContact C-N 3.32Å; F449-I451 PolarHBondContact O-N 3.21Å; F449-L452 PolarHBondContact O-N 3.44Å; F449-S453 VanDerWaalsContact O-CB 3.26Å; F449-S453 WeakPolarHBondContact O-CB 3.3Å; F449-S453 PolarHBondContact O-N 3.45Å; F449-S453 PolarHBondContact O-OG 3.24Å
450T73.2Confident72.5Confident38 Ų3848.2 Ų48.223%0.23326%0.255CS..Hα-helixtrans-67.5-31.2176.8-60.50000112.1F326 N446 L447 H448 C454F326-T450 HydrophobicContact CE1-CG2 4.48Å; F326-T450 HydrophobicContact CZ-CG2 4.18Å; N446-T450 WeakPolarHBondContact O-CB 3.38Å; N446-T450 PolarHBondContact O-N 2.88Å; N446-T450 PolarHBondContact O-OG1 2.99Å; L447-T450 PolarHBondContact O-N 3.15Å; H448-T450 VanDerWaalsContact C-N 3.32Å; H448-T450 PolarHBondContact O-N 3.36Å; T450-C454 PolarHBondContact O-N 2.72Å; T450-C454 PolarHBondContact O-SG 3.34Å
451I74Confident71.6Confident0 Ų048.5 Ų48.50%026%0.256CS..Hα-helixtrans-73.1-53.3172.5-69.2160.6000109.9L296 F300 A315 L318 F326 L447 H448 F449 S453 C454 R455L296-I451 HydrophobicContact CD2-CD1 4.44Å; F300-I451 HydrophobicContact CE1-CD1 3.82Å; F300-I451 HydrophobicContact CZ-CD1 3.62Å; A315-I451 HydrophobicContact CB-CB 4.14Å; A315-I451 HydrophobicContact CB-CD1 4.23Å; A315-I451 HydrophobicContact CB-CG2 3.84Å; L318-I451 HydrophobicContact CD2-CD1 4.24Å; L318-I451 HydrophobicContact CD2-CG2 4.08Å; F326-I451 HydrophobicContact CD1-CG1 4.38Å; F326-I451 HydrophobicContact CD2-CD1 4.48Å; F326-I451 HydrophobicContact CD2-CG1 3.95Å; F326-I451 HydrophobicContact CE1-CG1 4.11Å; F326-I451 HydrophobicContact CE2-CG1 3.65Å; F326-I451 HydrophobicContact CG-CD1 4.45Å; F326-I451 HydrophobicContact CG-CG1 4.31Å; F326-I451 HydrophobicContact CZ-CG1 3.72Å; L447-I451 HydrophobicContact CD1-CD1 3.91Å; L447-I451 HydrophobicContact CD1-CG1 4.3Å; L447-I451 HydrophobicContact CG-CD1 4.11Å; L447-I451 WeakPolarHBondContact O-CG1 3.4Å; L447-I451 PolarHBondContact O-N 3.04Å; H448-I451 PolarHBondContact O-N 3.44Å; H448-I451 VanDerWaalsContact O-N 3.14Å; F449-I451 VanDerWaalsContact C-N 3.32Å; F449-I451 PolarHBondContact O-N 3.21Å; I451-S453 PolarHBondContact O-N 3.5Å; I451-C454 WeakPolarHBondContact O-CA 3.38Å; I451-C454 WeakPolarHBondContact O-CB 3.34Å; I451-C454 PolarHBondContact O-N 3.27Å; I451-R455 WeakPolarHBondContact O-CG 3.35Å; I451-R455 PolarHBondContact O-N 2.78Å
452L73.9Confident70.8Confident26 Ų2641.8 Ų41.814%0.13624%0.24CC..Hα-helixtrans-61.9-39.1-178.3-64.8-169.6000113.4E313 H448 F449 C454 R455 G456E313-L452 HydrophobicContact CB-CD1 4.06Å; E313-L452 HydrophobicContact CG-CD1 4.16Å; E313-L452 HydrophobicContact CG-CD2 3.85Å; H448-L452 VanDerWaalsContact NE2-CD1 3.33Å; H448-L452 WeakPolarHBondContact NE2-CD1 3.33Å; H448-L452 PolarHBondContact O-N 2.82Å; F449-L452 PolarHBondContact O-N 3.44Å; L452-C454 PolarHBondContact O-N 3.37Å; L452-R455 WeakPolarHBondContact O-CA 3.22Å; L452-R455 WeakPolarHBondContact O-CB 3.32Å; L452-R455 PolarHBondContact O-N 2.85Å; L452-G456 PolarHBondContact O-N 2.65Å
453S65.9Low70.1Confident68 Ų6842.5 Ų42.548%0.47625%0.249SC..THydrogen-bonded Turntrans-69.1-13.9173.6590000113.8F449 I451F449-S453 VanDerWaalsContact O-CB 3.26Å; F449-S453 WeakPolarHBondContact O-CB 3.3Å; F449-S453 PolarHBondContact O-N 3.45Å; F449-S453 PolarHBondContact O-OG 3.24Å; I451-S453 PolarHBondContact O-N 3.5Å
454C62.1Low69.2Low61 Ų6146.1 Ų46.141%0.41226%0.263SS..THydrogen-bonded Turntrans-84.6-4.5165.8-68.10000113.5R325 T450 I451 L452R325-C454 PolarHBondContact NH1-SG 2.95Å; T450-C454 PolarHBondContact O-N 2.72Å; T450-C454 PolarHBondContact O-SG 3.34Å; I451-C454 WeakPolarHBondContact O-CA 3.38Å; I451-C454 WeakPolarHBondContact O-CB 3.34Å; I451-C454 PolarHBondContact O-N 3.27Å; L452-C454 PolarHBondContact O-N 3.37Å
455R60.8Low68.4Low30 Ų3045.7 Ų45.711%0.11326%0.261CS..THydrogen-bonded Turntrans-100.5-44.2179.2-55.1-164.4166.6161.8-2113.7A314 A315 P317 M319 E322 I451 L452 Q488A314-R455 PolarHBondContact O-NH1 2.65Å; A315-R455 PolarHBondContact O-NH1 3.41Å; A315-R455 PolarHBondContact O-NH2 3.38Å; P317-R455 PolarHBondContact O-NH2 3.22Å; M319-R455 HydrophobicContact CE-CB 4.38Å; M319-R455 HydrophobicContact CE-CG 3.83Å; E322-R455 WeakPolarHBondContact OE1-CG 3.37Å; E322-R455 IonicContact OE1-CZ 3.8Å; E322-R455 IonicContact OE1-NE 3.62Å; E322-R455 PolarHBondContact OE1-NE 2.81Å; E322-R455 IonicContact OE1-NH2 3.75Å; E322-R455 PolarHBondContact OE1-NH2 2.85Å; E322-R455 IonicContact OE2-CZ 2.81Å; E322-R455 IonicContact OE2-NE 3.43Å; E322-R455 IonicContact OE2-NH2 3.58Å; E322-R455 PolarHBondContact OE2-NH2 2.87Å; I451-R455 WeakPolarHBondContact O-CG 3.35Å; I451-R455 PolarHBondContact O-N 2.78Å; L452-R455 WeakPolarHBondContact O-CA 3.22Å; L452-R455 WeakPolarHBondContact O-CB 3.32Å; L452-R455 PolarHBondContact O-N 2.85Å; R455-Q488 PolarHBondContact O-NE2 3.5Å
456G55.5Low67.8Low30 Ų3047.2 Ų47.231%0.30926%0.263SS..  trans62.474.2-169.200000111.7L452 W458 R484L452-G456 PolarHBondContact O-N 2.65Å; G456-W458 VanDerWaalsContact C-N 3.32Å; G456-W458 PolarHBondContact O-N 3.36Å; G456-R484 PolarHBondContact O-NH2 3.29Å
457S56.7Low67.2Low13 Ų1351.3 Ų51.39%0.09128%0.281CS..  trans29.648.9163.8690000118.6S459 Q460 F461 R484S457-S459 PolarHBondContact O-N 3.15Å; S457-Q460 VanDerWaalsContact CB-OE1 3.29Å; S457-Q460 PolarHBondContact O-N 2.92Å; S457-Q460 PolarHBondContact OG-OE1 3.22Å; S457-Q460 VanDerWaalsContact OG-OE1 3.08Å; S457-F461 PolarHBondContact O-N 3.03Å; S457-R484 PolarHBondContact O-NH2 3.36Å; S457-R484 PolarHBondContact OG-NH2 2.91Å
458W60.5Low66.5Low87 Ų8754.3 Ų54.333%0.3330%0.295SS..Hα-helixtrans-59.8-24.4171.8-84.395.1000112.4G456 F461 A462 R484 L485G456-W458 VanDerWaalsContact C-N 3.32Å; G456-W458 PolarHBondContact O-N 3.36Å; W458-F461 AromaticContact CE3-CD1 3.66Å; W458-F461 HydrophobicContact CE3-CD1 3.66Å; W458-F461 HydrophobicContact CE3-CE1 4.28Å; W458-F461 HydrophobicContact CE3-CG 4.4Å; W458-F461 AromaticContact CZ3-CD1 3.62Å; W458-F461 HydrophobicContact CZ3-CD1 3.62Å; W458-F461 AromaticContact CZ3-CE1 3.77Å; W458-F461 HydrophobicContact CZ3-CE1 3.77Å; W458-A462 WeakPolarHBondContact O-CB 3.4Å; W458-A462 PolarHBondContact O-N 3.3Å; W458-R484 HydrophobicContact CH2-CB 4.08Å; W458-R484 HydrophobicContact CH2-CG 4.01Å; W458-R484 HydrophobicContact CZ2-CB 4.36Å; W458-R484 HydrophobicContact CZ2-CG 3.89Å; W458-L485 HydrophobicContact CH2-CD2 4.28Å; W458-L485 HydrophobicContact CH2-CG 4.08Å; W458-L485 HydrophobicContact CZ2-CD2 4.09Å; W458-L485 HydrophobicContact CZ2-CG 4.28Å
459S56.6Low65.8Low51 Ų5159.3 Ų59.336%0.35732%0.319SS..Hα-helixtrans-58.2-53.7166.151.70000113.3E313 S457 F461 A462 A463E313-S459 VanDerWaalsContact OE1-CB 3.24Å; E313-S459 WeakPolarHBondContact OE1-CB 3.1Å; E313-S459 PolarHBondContact OE1-OG 3.13Å; S457-S459 PolarHBondContact O-N 3.15Å; S459-F461 VanDerWaalsContact C-N 3.31Å; S459-F461 PolarHBondContact O-N 3.2Å; S459-A462 PolarHBondContact O-N 3.39Å; S459-A463 WeakPolarHBondContact O-CB 3.44Å; S459-A463 PolarHBondContact O-N 3.46Å
460Q60.1Low65.6Low90 Ų9060.6 Ų60.642%0.42133%0.33SS..Hα-helixtrans-64.7-36.2177.3-65.9175.3-6.700111.8S457 A463 R464S457-Q460 VanDerWaalsContact CB-OE1 3.29Å; S457-Q460 PolarHBondContact O-N 2.92Å; S457-Q460 PolarHBondContact OG-OE1 3.22Å; S457-Q460 VanDerWaalsContact OG-OE1 3.08Å; Q460-A463 PolarHBondContact O-N 2.81Å; Q460-R464 WeakPolarHBondContact O-CG 3.47Å; Q460-R464 PolarHBondContact O-N 2.84Å
461F62.2Low65.5Low25 Ų2563 Ų6311%0.1135%0.348CS..Hα-helixtrans-62.2-49.9173.7177.5-102.6000111.5S457 W458 S459 A463 R464 C465 Q480 A481 R484S457-F461 PolarHBondContact O-N 3.03Å; W458-F461 AromaticContact CE3-CD1 3.66Å; W458-F461 HydrophobicContact CE3-CD1 3.66Å; W458-F461 HydrophobicContact CE3-CE1 4.28Å; W458-F461 HydrophobicContact CE3-CG 4.4Å; W458-F461 AromaticContact CZ3-CD1 3.62Å; W458-F461 HydrophobicContact CZ3-CD1 3.62Å; W458-F461 AromaticContact CZ3-CE1 3.77Å; W458-F461 HydrophobicContact CZ3-CE1 3.77Å; S459-F461 VanDerWaalsContact C-N 3.31Å; S459-F461 PolarHBondContact O-N 3.2Å; F461-A463 VanDerWaalsContact C-N 3.34Å; F461-A463 PolarHBondContact O-N 3.39Å; F461-R464 PolarHBondContact O-N 3.15Å; F461-C465 VanDerWaalsContact CZ-SG 3.55Å; F461-C465 PolarHBondContact O-N 2.87Å; F461-C465 PolarHBondContact O-SG 3.33Å; F461-Q480 HydrophobicContact CE2-CB 3.95Å; F461-Q480 HydrophobicContact CZ-CB 3.96Å; F461-A481 HydrophobicContact CE1-CB 4.04Å; F461-A481 HydrophobicContact CZ-CB 3.97Å; F461-R484 HydrophobicContact CE2-CB 4.46Å; F461-R484 VanDerWaalsContact CG-CD 3.49Å
462A65.1Low64.8Low44 Ų4466 Ų6636%0.36438%0.379SS..Hα-helixtrans-60.5-42.6175.800000111.9W458 S459 R464 C465 I466W458-A462 WeakPolarHBondContact O-CB 3.4Å; W458-A462 PolarHBondContact O-N 3.3Å; S459-A462 PolarHBondContact O-N 3.39Å; A462-R464 PolarHBondContact O-N 3.26Å; A462-C465 PolarHBondContact O-N 2.76Å; A462-I466 VanDerWaalsContact O-CG1 3.29Å; A462-I466 WeakPolarHBondContact O-CG1 3.45Å; A462-I466 PolarHBondContact O-N 2.9Å
463A67Low64.2Low55 Ų5566.6 Ų66.646%0.45539%0.388SS..Hα-helixtrans-59.7-44.1176.500000112.4S459 Q460 F461 I466 Q467S459-A463 WeakPolarHBondContact O-CB 3.44Å; S459-A463 PolarHBondContact O-N 3.46Å; Q460-A463 PolarHBondContact O-N 2.81Å; F461-A463 VanDerWaalsContact C-N 3.34Å; F461-A463 PolarHBondContact O-N 3.39Å; A463-I466 PolarHBondContact O-N 3.44Å; A463-Q467 WeakPolarHBondContact O-CB 3.28Å; A463-Q467 PolarHBondContact O-N 3.38Å
464R65.3Low63.5Low82 Ų8275.7 Ų75.731%0.30941%0.412SS..Hα-helixtrans-66.8-38.1174.9-70.4-172-144.2150.417.3112.8Q460 F461 A462 Q467 Q468 C509Q460-R464 WeakPolarHBondContact O-CG 3.47Å; Q460-R464 PolarHBondContact O-N 2.84Å; F461-R464 PolarHBondContact O-N 3.15Å; A462-R464 PolarHBondContact O-N 3.26Å; R464-Q467 PolarHBondContact O-N 2.88Å; R464-Q468 WeakPolarHBondContact O-CB 3.47Å; R464-Q468 WeakPolarHBondContact O-CG 3.33Å; R464-Q468 PolarHBondContact O-N 3.48Å; R464-C509 VanDerWaalsContact CZ-O 3.25Å; R464-C509 PolarHBondContact NH1-O 3.45Å; R464-C509 PolarHBondContact NH2-O 3.39Å
465C67.8Low63.2Low8 Ų875.8 Ų75.85%0.05441%0.411CS..Hα-helixtrans-61.8-44.4174.8-64.80000111.2F461 A462 Q468 Q469 I477F461-C465 VanDerWaalsContact CZ-SG 3.55Å; F461-C465 PolarHBondContact O-N 2.87Å; F461-C465 PolarHBondContact O-SG 3.33Å; A462-C465 PolarHBondContact O-N 2.76Å; C465-Q468 PolarHBondContact O-N 2.81Å; C465-Q469 WeakPolarHBondContact O-CG 3.43Å; C465-Q469 PolarHBondContact O-N 2.82Å; C465-I477 HydrophobicContact CB-CD1 4.49Å; C465-I477 HydrophobicContact CB-CG1 4.41Å; C465-I477 HydrophobicContact CB-CG2 4.22Å
466I69.7Low63.3Low94 Ų9476.6 Ų76.648%0.48243%0.429SS..Hα-helixtrans-63.2-44.4175.5-68163.4000110.5A462 A463 Q468 Q469 L470A462-I466 VanDerWaalsContact O-CG1 3.29Å; A462-I466 WeakPolarHBondContact O-CG1 3.45Å; A462-I466 PolarHBondContact O-N 2.9Å; A463-I466 PolarHBondContact O-N 3.44Å; I466-Q468 VanDerWaalsContact C-N 3.34Å; I466-Q468 PolarHBondContact O-N 3.41Å; I466-Q469 PolarHBondContact O-N 2.88Å; I466-L470 HydrophobicContact CG2-CD1 3.93Å; I466-L470 HydrophobicContact CG2-CG 4.44Å; I466-L470 WeakPolarHBondContact O-CG 3.49Å; I466-L470 PolarHBondContact O-N 3.33Å
467Q72.3Confident63.8Low135 Ų13577.9 Ų77.963%0.63143%0.428SS*.Hα-helixtrans-63.3-37.7178.4-168.4174.22.700112.3A463 R464 L470 S471A463-Q467 WeakPolarHBondContact O-CB 3.28Å; A463-Q467 PolarHBondContact O-N 3.38Å; R464-Q467 PolarHBondContact O-N 2.88Å; Q467-L470 PolarHBondContact O-N 3.08Å; Q467-S471 WeakPolarHBondContact O-CB 3.18Å; Q467-S471 PolarHBondContact O-N 3.2Å; Q467-S471 PolarHBondContact O-OG 3.36Å
468Q66.8Low64.2Low62 Ų6280 Ų8029%0.2945%0.452SS..Hα-helixtrans-67.7-37173.6-75.5178.6-1.200112.7R464 C465 I466 S471 G472 A473 T475R464-Q468 WeakPolarHBondContact O-CB 3.47Å; R464-Q468 WeakPolarHBondContact O-CG 3.33Å; R464-Q468 PolarHBondContact O-N 3.48Å; C465-Q468 PolarHBondContact O-N 2.81Å; I466-Q468 VanDerWaalsContact C-N 3.34Å; I466-Q468 PolarHBondContact O-N 3.41Å; Q468-S471 PolarHBondContact O-N 2.88Å; Q468-S471 PolarHBondContact O-OG 2.81Å; Q468-G472 PolarHBondContact O-N 2.93Å; Q468-A473 HydrophobicContact CB-CB 4.3Å; Q468-A473 WeakPolarHBondContact O-CB 3.47Å; Q468-A473 PolarHBondContact O-N 3.12Å; Q468-T475 PolarHBondContact OE1-OG1 3.42Å
469Q69.4Low64.4Low126 Ų12681 Ų8159%0.58946%0.46SS*.Hα-helixtrans-64.6-42.8171.6-70.9-174.3-7200111.8C465 I466 S471 G472 I477C465-Q469 WeakPolarHBondContact O-CG 3.43Å; C465-Q469 PolarHBondContact O-N 2.82Å; I466-Q469 PolarHBondContact O-N 2.88Å; Q469-S471 VanDerWaalsContact C-N 3.33Å; Q469-S471 PolarHBondContact O-N 3.21Å; Q469-G472 PolarHBondContact O-N 3.33Å; Q469-I477 VanDerWaalsContact CD-CD1 3.47Å; Q469-I477 HydrophobicContact CG-CD1 3.74Å
470L73.1Confident64.7Low147 Ų14780.8 Ų80.877%0.7745%0.453SS*.Hα-helixtrans-66-33177.6-71.4170.2000112.6I466 Q467 G472I466-L470 HydrophobicContact CG2-CD1 3.93Å; I466-L470 HydrophobicContact CG2-CG 4.44Å; I466-L470 WeakPolarHBondContact O-CG 3.49Å; I466-L470 PolarHBondContact O-N 3.33Å; Q467-L470 PolarHBondContact O-N 3.08Å; L470-G472 PolarHBondContact O-N 3.01Å
471S71.3Confident65Low88 Ų8877.6 Ų77.662%0.61544%0.442SS*.THydrogen-bonded Turntrans-82.113174.5770000113.9Q467 Q468 Q469 A473Q467-S471 WeakPolarHBondContact O-CB 3.18Å; Q467-S471 PolarHBondContact O-N 3.2Å; Q467-S471 PolarHBondContact O-OG 3.36Å; Q468-S471 PolarHBondContact O-N 2.88Å; Q468-S471 PolarHBondContact O-OG 2.81Å; Q469-S471 VanDerWaalsContact C-N 3.33Å; Q469-S471 PolarHBondContact O-N 3.21Å; S471-A473 PolarHBondContact O-N 3.32Å
472G59.4Low65.2Low63 Ų6378.1 Ų78.165%0.64945%0.451SS*.THydrogen-bonded Turntrans69.69.717800000115.6Q468 Q469 L470 R474Q468-G472 PolarHBondContact O-N 2.93Å; Q469-G472 PolarHBondContact O-N 3.33Å; L470-G472 PolarHBondContact O-N 3.01Å; G472-R474 PolarHBondContact O-N 3.46Å
473A59.7Low64.9Low39 Ų3977.9 Ų77.932%0.32244%0.442SS..  trans-73.3115.7-176.700000110.9Q468 S471 T475Q468-A473 HydrophobicContact CB-CB 4.3Å; Q468-A473 WeakPolarHBondContact O-CB 3.47Å; Q468-A473 PolarHBondContact O-N 3.12Å; S471-A473 PolarHBondContact O-N 3.32Å; A473-T475 HydrophobicContact CB-CG2 4.45Å; A473-T475 PolarHBondContact O-N 3.38Å
474R52Low64.7Low260 Ų26075.7 Ų75.798%0.98142%0.422SS*.  trans-75.352.6171.7-74.4-173.9171.9179.3-1.5112.1G472G472-R474 PolarHBondContact O-N 3.46Å
475T56.1Low64.7Low62 Ų6275.3 Ų75.338%0.3843%0.426SS..  trans-92.4130175.341.70000111.2Q468 A473 I477Q468-T475 PolarHBondContact OE1-OG1 3.42Å; A473-T475 HydrophobicContact CB-CG2 4.45Å; A473-T475 PolarHBondContact O-N 3.38Å; T475-I477 PolarHBondContact O-N 3.13Å
476G62.8Low64.4Low48 Ų4875.3 Ų75.350%0.49543%0.426SS..  trans-68.695.4-176.500000113.3G478 H479 Q480G476-G478 PolarHBondContact O-N 3.36Å; G476-H479 WeakPolarHBondContact O-CB 3.4Å; G476-H479 PolarHBondContact O-N 2.93Å; G476-Q480 PolarHBondContact O-N 2.99Å
477I64.9Low63.7Low57 Ų5774.2 Ų74.229%0.29243%0.428SS..Hα-helixtrans-51.9-39.9178-60.1170.6000111.6C465 Q469 T475 H479 Q480 A481C465-I477 HydrophobicContact CB-CD1 4.49Å; C465-I477 HydrophobicContact CB-CG1 4.41Å; C465-I477 HydrophobicContact CB-CG2 4.22Å; Q469-I477 VanDerWaalsContact CD-CD1 3.47Å; Q469-I477 HydrophobicContact CG-CD1 3.74Å; T475-I477 PolarHBondContact O-N 3.13Å; I477-H479 VanDerWaalsContact C-N 3.31Å; I477-H479 PolarHBondContact O-N 3.47Å; I477-Q480 PolarHBondContact O-N 3.42Å; I477-A481 VanDerWaalsContact O-CB 3.31Å; I477-A481 WeakPolarHBondContact O-CB 3.4Å; I477-A481 PolarHBondContact O-N 3.15Å
478G65.6Low63.2Low57 Ų5772 Ų7259%0.58842%0.417SS*.Hα-helixtrans-60.5-36.4176.300000113.7G476 A482G476-G478 PolarHBondContact O-N 3.36Å; G478-A482 VanDerWaalsContact O-CB 3.28Å; G478-A482 WeakPolarHBondContact O-CB 3.27Å; G478-A482 PolarHBondContact O-N 3.04Å
479H64.7Low62.9Low109 Ų10972 Ų7251%0.50542%0.418SS..Hα-helixtrans-70.1-45.5176.1-176.2-96.2000111.1G476 I477 A481 A482 Q483G476-H479 WeakPolarHBondContact O-CB 3.4Å; G476-H479 PolarHBondContact O-N 2.93Å; I477-H479 VanDerWaalsContact C-N 3.31Å; I477-H479 PolarHBondContact O-N 3.47Å; H479-A481 VanDerWaalsContact C-N 3.33Å; H479-A481 PolarHBondContact O-N 3.13Å; H479-A482 PolarHBondContact O-N 3.43Å; H479-Q483 VanDerWaalsContact CE1-CD 3.4Å; H479-Q483 PolarHBondContact CE1-NE2 3.4Å; H479-Q483 WeakPolarHBondContact O-CG 3.5Å; H479-Q483 PolarHBondContact O-N 3.18Å
480Q64.4Low62.3Low45 Ų4576.2 Ų76.221%0.2143%0.434CS..Hα-helixtrans-61-41.2175-62.3179.40.900111.8F461 G476 I477 Q483 R484F461-Q480 HydrophobicContact CE2-CB 3.95Å; F461-Q480 HydrophobicContact CZ-CB 3.96Å; G476-Q480 PolarHBondContact O-N 2.99Å; I477-Q480 PolarHBondContact O-N 3.42Å; Q480-Q483 PolarHBondContact O-N 3.25Å; Q480-R484 PolarHBondContact O-N 3.11Å
481A66.1Low61.8Low23 Ų2374 Ų7419%0.1943%0.431CS..Hα-helixtrans-68.1-40.5177.900000111.9F461 I477 H479 R484 L485F461-A481 HydrophobicContact CE1-CB 4.04Å; F461-A481 HydrophobicContact CZ-CB 3.97Å; I477-A481 VanDerWaalsContact O-CB 3.31Å; I477-A481 WeakPolarHBondContact O-CB 3.4Å; I477-A481 PolarHBondContact O-N 3.15Å; H479-A481 VanDerWaalsContact C-N 3.33Å; H479-A481 PolarHBondContact O-N 3.13Å; A481-R484 PolarHBondContact O-N 3Å; A481-L485 WeakPolarHBondContact O-CB 3.08Å; A481-L485 WeakPolarHBondContact O-CG 3.45Å; A481-L485 PolarHBondContact O-N 3.3Å
482A65.2Low61.3Low36 Ų3673.4 Ų73.430%0.29842%0.42SS..Hα-helixtrans-62-41.9172.800000111.8G478 H479 L485 A486G478-A482 VanDerWaalsContact O-CB 3.28Å; G478-A482 WeakPolarHBondContact O-CB 3.27Å; G478-A482 PolarHBondContact O-N 3.04Å; H479-A482 PolarHBondContact O-N 3.43Å; A482-L485 PolarHBondContact O-N 3.1Å; A482-A486 WeakPolarHBondContact O-CB 3.49Å; A482-A486 PolarHBondContact O-N 3.35Å
483Q58.7Low61.3Low40 Ų4070.4 Ų70.419%0.18739%0.389CS..Hα-helixtrans-67.3-35.1175.1-72.4-175.4-32.700112.8H479 Q480 A486 S487 I496H479-Q483 VanDerWaalsContact CE1-CD 3.4Å; H479-Q483 PolarHBondContact CE1-NE2 3.4Å; H479-Q483 WeakPolarHBondContact O-CG 3.5Å; H479-Q483 PolarHBondContact O-N 3.18Å; Q480-Q483 PolarHBondContact O-N 3.25Å; Q483-A486 WeakPolarHBondContact O-CB 3.38Å; Q483-A486 PolarHBondContact O-N 3.38Å; Q483-S487 PolarHBondContact O-N 2.96Å; Q483-I496 HydrophobicContact CG-CG2 4.28Å
484R63.3Low61.3Low9 Ų972.1 Ų72.13%0.03440%0.399CS..Hα-helixtrans-68.3-36.1171.6-167.4176.8-170.591.8-4.7112.6G456 S457 W458 F461 Q480 A481 A486 S487 Q488G456-R484 PolarHBondContact O-NH2 3.29Å; S457-R484 PolarHBondContact O-NH2 3.36Å; S457-R484 PolarHBondContact OG-NH2 2.91Å; W458-R484 HydrophobicContact CH2-CB 4.08Å; W458-R484 HydrophobicContact CH2-CG 4.01Å; W458-R484 HydrophobicContact CZ2-CB 4.36Å; W458-R484 HydrophobicContact CZ2-CG 3.89Å; F461-R484 HydrophobicContact CE2-CB 4.46Å; F461-R484 VanDerWaalsContact CG-CD 3.49Å; Q480-R484 PolarHBondContact O-N 3.11Å; A481-R484 PolarHBondContact O-N 3Å; R484-A486 VanDerWaalsContact C-N 3.33Å; R484-S487 PolarHBondContact O-N 3.01Å; R484-S487 PolarHBondContact O-OG 3.26Å; R484-S487 VanDerWaalsContact O-OG 3.09Å; R484-Q488 WeakPolarHBondContact O-CG 3.47Å; R484-Q488 PolarHBondContact O-N 2.89Å
485L64.6Low61.7Low73 Ų7366.3 Ų66.338%0.38239%0.387SS..Hα-helixtrans-66.8-35.6171.6-74.8165000111.6W458 A481 A482 Q488 M489W458-L485 HydrophobicContact CH2-CD2 4.28Å; W458-L485 HydrophobicContact CH2-CG 4.08Å; W458-L485 HydrophobicContact CZ2-CD2 4.09Å; W458-L485 HydrophobicContact CZ2-CG 4.28Å; A481-L485 WeakPolarHBondContact O-CB 3.08Å; A481-L485 WeakPolarHBondContact O-CG 3.45Å; A481-L485 PolarHBondContact O-N 3.3Å; A482-L485 PolarHBondContact O-N 3.1Å; L485-Q488 PolarHBondContact O-N 2.91Å; L485-M489 HydrophobicContact CB-CE 3.94Å; L485-M489 HydrophobicContact CD2-CE 3.89Å; L485-M489 HydrophobicContact CG-CE 4.48Å; L485-M489 WeakPolarHBondContact O-CB 3.33Å; L485-M489 PolarHBondContact O-N 2.93Å; L485-M489 VanDerWaalsContact O-N 3.12Å
486A61.9Low61.9Low8 Ų865.3 Ų65.37%0.06638%0.379CS..Hα-helixtrans-62.9-43.1174.600000112.5A482 Q483 R484 G493 I496A482-A486 WeakPolarHBondContact O-CB 3.49Å; A482-A486 PolarHBondContact O-N 3.35Å; Q483-A486 WeakPolarHBondContact O-CB 3.38Å; Q483-A486 PolarHBondContact O-N 3.38Å; R484-A486 VanDerWaalsContact C-N 3.33Å; A486-G493 VanDerWaalsContact O-CA 3.24Å; A486-G493 WeakPolarHBondContact O-CA 3.48Å; A486-I496 HydrophobicContact CB-CB 3.78Å; A486-I496 HydrophobicContact CB-CD1 3.93Å; A486-I496 HydrophobicContact CB-CG1 4.41Å; A486-I496 HydrophobicContact CB-CG2 3.78Å
487S56.6Low61.5Low72 Ų7272 Ų7250%0.50339%0.389SS..Hα-helixtrans-70.7-31.5178.466.30000112.9Q483 R484 N510Q483-S487 PolarHBondContact O-N 2.96Å; R484-S487 PolarHBondContact O-N 3.01Å; R484-S487 PolarHBondContact O-OG 3.26Å; R484-S487 VanDerWaalsContact O-OG 3.09Å; S487-N510 PolarHBondContact OG-OD1 2.98Å
488Q61.3Low61.4Low88 Ų8873.3 Ų73.341%0.41141%0.409SS..Hα-helixtrans-82.5-18.1178.6-67.5-167.2-11.400114.9R455 R484 L485R455-Q488 PolarHBondContact O-NE2 3.5Å; R484-Q488 WeakPolarHBondContact O-CG 3.47Å; R484-Q488 PolarHBondContact O-N 2.89Å; L485-Q488 PolarHBondContact O-N 2.91Å
489M59.6Low61.1Low63 Ų6376.5 Ų76.531%0.3142%0.417SS..  trans-122.999.5-174.5-65.3-169.4-68.400113.2L485 S491 I492 G493L485-M489 HydrophobicContact CB-CE 3.94Å; L485-M489 HydrophobicContact CD2-CE 3.89Å; L485-M489 HydrophobicContact CG-CE 4.48Å; L485-M489 WeakPolarHBondContact O-CB 3.33Å; L485-M489 PolarHBondContact O-N 2.93Å; L485-M489 VanDerWaalsContact O-N 3.12Å; M489-S491 PolarHBondContact O-N 3.28Å; M489-I492 HydrophobicContact CB-CB 4.23Å; M489-I492 HydrophobicContact CE-CB 4.45Å; M489-I492 HydrophobicContact CE-CD1 3.64Å; M489-I492 PolarHBondContact O-N 2.93Å; M489-I492 HydrophobicContact SD-CD1 4.02Å; M489-G493 PolarHBondContact O-N 2.87Å
490K56.5Low60.7Low213 Ų21372.7 Ų72.793%0.92640%0.404SS*.THydrogen-bonded Turntrans-46.5-35.7-179.3-75.1-165.9173.2-168.30115.1
491S63.6Low60.3Low102 Ų10273.7 Ų73.771%0.71343%0.426SS*.THydrogen-bonded Turntrans-83.5-19.6-177.651.20000115.2M489M489-S491 PolarHBondContact O-N 3.28Å
492I61.3Low60.1Low74 Ų7482.9 Ų82.938%0.37946%0.456SS..THydrogen-bonded Turntrans-105.8-26.2-178.9-71165.2000110.6M489 S494 L495 I496M489-I492 HydrophobicContact CB-CB 4.23Å; M489-I492 HydrophobicContact CE-CB 4.45Å; M489-I492 HydrophobicContact CE-CD1 3.64Å; M489-I492 PolarHBondContact O-N 2.93Å; M489-I492 HydrophobicContact SD-CD1 4.02Å; I492-S494 PolarHBondContact O-N 3.46Å; I492-S494 VanDerWaalsContact O-N 3.17Å; I492-L495 PolarHBondContact O-N 3.32Å; I492-I496 HydrophobicContact CG2-CD1 3.8Å
493G58Low60.2Low0 Ų085.2 Ų85.20%046%0.462CS..THydrogen-bonded Turntrans-68.3-7-178.900000116.4A486 M489 R497A486-G493 VanDerWaalsContact O-CA 3.24Å; A486-G493 WeakPolarHBondContact O-CA 3.48Å; M489-G493 PolarHBondContact O-N 2.87Å; G493-R497 PolarHBondContact O-NE 2.85Å; G493-R497 PolarHBondContact O-NH2 3.45Å; G493-R497 VanDerWaalsContact O-NH2 3.14Å
494S59.8Low60.9Low76 Ų7683.7 Ų83.753%0.53146%0.455SS..THydrogen-bonded Turntrans-76.7-51.3168.549.30000110.8I492 I496 R497 A498I492-S494 PolarHBondContact O-N 3.46Å; I492-S494 VanDerWaalsContact O-N 3.17Å; S494-I496 VanDerWaalsContact C-N 3.34Å; S494-I496 PolarHBondContact O-N 3.41Å; S494-R497 PolarHBondContact O-N 3.27Å; S494-R497 VanDerWaalsContact O-N 3.13Å; S494-A498 PolarHBondContact O-N 2.9Å
495L61.6Low61.2Low137 Ų13786.1 Ų86.172%0.71747%0.465SS*.G310 helixtrans-58.4-43-175.2-152.781.7000112.4I492 A498I492-L495 PolarHBondContact O-N 3.32Å; L495-A498 PolarHBondContact O-N 2.94Å
496I59.6Low61.6Low41 Ų4182.6 Ų82.621%0.2145%0.447CS..G310 helixtrans-76.5-21.3-177.8-62.5173.1000112.3Q483 A486 I492 S494 T499Q483-I496 HydrophobicContact CG-CG2 4.28Å; A486-I496 HydrophobicContact CB-CB 3.78Å; A486-I496 HydrophobicContact CB-CD1 3.93Å; A486-I496 HydrophobicContact CB-CG1 4.41Å; A486-I496 HydrophobicContact CB-CG2 3.78Å; I492-I496 HydrophobicContact CG2-CD1 3.8Å; S494-I496 VanDerWaalsContact C-N 3.34Å; S494-I496 PolarHBondContact O-N 3.41Å; I496-T499 PolarHBondContact O-OG1 3.23Å
497R55.4Low62.2Low188 Ų18887.1 Ų87.171%0.70947%0.465SS*.G310 helixtrans-85.1-6.5173.9-83.1-176.8-68.2-178.90.5113.7G493 S494G493-R497 PolarHBondContact O-NE 2.85Å; G493-R497 PolarHBondContact O-NH2 3.45Å; G493-R497 VanDerWaalsContact O-NH2 3.14Å; S494-R497 PolarHBondContact O-N 3.27Å; S494-R497 VanDerWaalsContact O-N 3.13Å
498A61.1Low62.6Low86 Ų8685.8 Ų85.871%0.71145%0.453SS*.SBendtrans-83.3-18.5174.300000113.2S494 L495S494-A498 PolarHBondContact O-N 2.9Å; L495-A498 PolarHBondContact O-N 2.94Å
499T59.6Low62.6Low124 Ų12482.1 Ų82.176%0.76144%0.437SS*.SBendtrans-114.9-5.5-169.853.40000114.9I496I496-T499 PolarHBondContact O-OG1 3.23Å
500A56Low62.5Low28 Ų2880.8 Ų80.823%0.23143%0.431CS..SBendtrans-127.7144.417400000110
501G57.6Low62.9Low66 Ų6674.5 Ų74.568%0.6841%0.407SS*.  trans-58162.2-17400000114.7M503G501-M503 VanDerWaalsContact C-N 3.31Å; G501-M503 PolarHBondContact O-N 2.89Å
502R61.3Low63.2Low217 Ų21772.4 Ų72.482%0.81939%0.393SS*.  trans-67.682.6-175.5-65.2-174.4-178-176.92.3112.2Y515R502-Y515 WeakPolarHBondContact O-CB 3.44Å; R502-Y515 PolarHBondContact O-N 2.9Å; R502-Y515 VanDerWaalsContact O-N 3.11Å
503M66.2Low63.7Low84 Ų8469 Ų6941%0.41438%0.376SS..EExtended strand (participates in β ladder)trans-95.1147.2166.3-62.5-64.6-73.500110G501 F505 G513G501-M503 VanDerWaalsContact C-N 3.31Å; G501-M503 PolarHBondContact O-N 2.89Å; M503-F505 HydrophobicContact CB-CE2 3.87Å; M503-F505 HydrophobicContact CB-CZ 3.97Å; M503-G513 WeakPolarHBondContact CA-O 3.14Å; M503-G513 VanDerWaalsContact CE-C 3.45Å; M503-G513 WeakPolarHBondContact CE-O 3.38Å
504K74.3Confident64.6Low9 Ų972.6 Ų72.64%0.03940%0.4CS..EExtended strand (participates in β ladder)trans-107.6154.9164.865.8-172172.6-1610110.4S512 G513 P514 Y515 D517 F521K504-S512 WeakPolarHBondContact O-CA 3.23Å; K504-G513 PolarHBondContact N-O 2.73Å; K504-G513 PolarHBondContact O-N 3.04Å; K504-P514 WeakPolarHBondContact CE-O 3.28Å; K504-Y515 HydrophobicContact CB-CD2 4.33Å; K504-Y515 WeakPolarHBondContact CD-O 3.48Å; K504-Y515 WeakPolarHBondContact CE-O 3.31Å; K504-Y515 PolarHBondContact NZ-O 3.43Å; K504-D517 WeakPolarHBondContact CE-O 3.19Å; K504-D517 PolarHBondContact NZ-O 2.86Å; K504-F521 HydrophobicContact CD-CB 4.43Å; K504-F521 HydrophobicContact CD-CG 4.49Å
505F68.8Low65.2Low59 Ų5975.4 Ų75.426%0.25940%0.399SS..EExtended strand (participates in β ladder)trans-133.1134.4-173.7-61.6-91.9000110.4M503 F507 N510 D511 S512 P532M503-F505 HydrophobicContact CB-CE2 3.87Å; M503-F505 HydrophobicContact CB-CZ 3.97Å; F505-F507 PolarHBondContact O-N 3.38Å; F505-N510 WeakPolarHBondContact CD1-ND2 3.45Å; F505-D511 CarbonylContact C-O 3.57Å; F505-D511 VanDerWaalsContact CA-O 3.24Å; F505-D511 WeakPolarHBondContact CA-O 2.91Å; F505-S512 VanDerWaalsContact CE1-CB 3.45Å; F505-P532 WeakPolarHBondContact O-CG 3.4Å
506C74.8Confident66Low0 Ų076.6 Ų76.60%040%0.401CS..  trans-60.8129.3175.51720000111D508 C509 N510 D511 F521 Y533 C534 C537C506-D508 PolarHBondContact O-N 3.36Å; C506-D508 PolarHBondContact SG-N 2.85Å; C506-C509 VanDerWaalsContact CB-SG 3.51Å; C506-C509 PolarHBondContact SG-N 3.08Å; C506-C509 VanDerWaalsContact SG-N 3.45Å; C506-C509 PolarHBondContact SG-SG 2.95Å; C506-N510 WeakPolarHBondContact O-CA 3.22Å; C506-N510 PolarHBondContact O-N 3.08Å; C506-D511 PolarHBondContact N-O 2.92Å; C506-F521 HydrophobicContact CB-CD1 4.5Å; C506-F521 HydrophobicContact CB-CE1 4Å; C506-Y533 VanDerWaalsContact SG-CA 3.59Å; C506-C534 HydrophobicContact CB-CB 4.2Å; C506-C534 PolarHBondContact SG-N 2.93Å; C506-C537 VanDerWaalsContact SG-CB 3.51Å
507F73.4Confident67Low102 Ų10276 Ų7645%0.44740%0.399SS..THydrogen-bonded Turntrans-68.5-19.8-176.9-169.9-89.7000114.9F505 V531 P532 Y533 L545 N546F505-F507 PolarHBondContact O-N 3.38Å; F507-V531 HydrophobicContact CB-CG1 3.24Å; F507-V531 HydrophobicContact CD1-CG1 4.2Å; F507-V531 HydrophobicContact CD2-CG1 3.41Å; F507-V531 VanDerWaalsContact CD2-CG1 3.41Å; F507-V531 HydrophobicContact CD2-CG2 4.39Å; F507-V531 HydrophobicContact CE2-CG1 4.26Å; F507-V531 HydrophobicContact CG-CG1 3.37Å; F507-P532 WeakPolarHBondContact CB-O 3.47Å; F507-P532 PolarHBondContact N-O 3.12Å; F507-Y533 HydrophobicContact CB-CD1 4.44Å; F507-Y533 HydrophobicContact CB-CE1 4.05Å; F507-Y533 HydrophobicContact CD1-CE1 4.39Å; F507-L545 HydrophobicContact CD1-CB 3.77Å; F507-L545 HydrophobicContact CD1-CD1 4.42Å; F507-L545 HydrophobicContact CE1-CB 3.65Å; F507-N546 HydrophobicContact CE1-CB 4.17Å; F507-N546 HydrophobicContact CE2-CB 4.24Å; F507-N546 HydrophobicContact CZ-CB 3.84Å
508D64.4Low68.3Low44 Ų4473.2 Ų73.224%0.23539%0.392CS..THydrogen-bonded Turntrans-92.4-68.5176-173.333.9000111C506 Y533 C537 L545C506-D508 PolarHBondContact O-N 3.36Å; C506-D508 PolarHBondContact SG-N 2.85Å; D508-Y533 HydrophobicContact CB-CD1 4.09Å; D508-Y533 HydrophobicContact CB-CE1 4.26Å; D508-C537 HydrophobicContact CB-CB 3.86Å; D508-C537 PolarHBondContact OD2-SG 3.23Å; D508-L545 HydrophobicContact CB-CD1 3.89Å
509C62.8Low69.3Low11 Ų1177.3 Ų77.37%0.07440%0.396CS..THydrogen-bonded Turntrans-84.7-10.9-175.771.40000115R464 C506 D511 C534 C537R464-C509 VanDerWaalsContact CZ-O 3.25Å; R464-C509 PolarHBondContact NH1-O 3.45Å; R464-C509 PolarHBondContact NH2-O 3.39Å; C506-C509 VanDerWaalsContact CB-SG 3.51Å; C506-C509 PolarHBondContact SG-N 3.08Å; C506-C509 VanDerWaalsContact SG-N 3.45Å; C506-C509 PolarHBondContact SG-SG 2.95Å; C509-D511 PolarHBondContact O-N 2.82Å; C509-D511 WeakPolarHBondContact SG-CB 3.5Å; C509-D511 PolarHBondContact SG-N 2.86Å; C509-D511 VanDerWaalsContact SG-N 3.44Å; C509-C534 PolarHBondContact SG-SG 3.25Å; C509-C537 VanDerWaalsContact SG-SG 3.64Å
510N56.1Low70.3Confident36 Ų3675.8 Ų75.819%0.19338%0.383CS..  trans52.731.1-172.8-153.7112.9000113.7S487 F505 C506S487-N510 PolarHBondContact OG-OD1 2.98Å; F505-N510 WeakPolarHBondContact CD1-ND2 3.45Å; C506-N510 WeakPolarHBondContact O-CA 3.22Å; C506-N510 PolarHBondContact O-N 3.08Å
511D65.9Low71.7Confident80 Ų8074.7 Ų74.743%0.42837%0.373SS..  trans-69.2153.5163.4-167.919.8000110.7F505 C506 C509F505-D511 CarbonylContact C-O 3.57Å; F505-D511 VanDerWaalsContact CA-O 3.24Å; F505-D511 WeakPolarHBondContact CA-O 2.91Å; C506-D511 PolarHBondContact N-O 2.92Å; C509-D511 PolarHBondContact O-N 2.82Å; C509-D511 WeakPolarHBondContact SG-CB 3.5Å; C509-D511 PolarHBondContact SG-N 2.86Å; C509-D511 VanDerWaalsContact SG-N 3.44Å
512S68.5Low73.1Confident58 Ų5876.5 Ų76.541%0.40636%0.36SS..EExtended strand (participates in β ladder)trans-129.4128.8-161.564.20000114.2K504 F505K504-S512 WeakPolarHBondContact O-CA 3.23Å; F505-S512 VanDerWaalsContact CE1-CB 3.45Å
513G72.8Confident74.3Confident3 Ų368.7 Ų68.73%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-132.5167.3174.600000112.8M503 K504M503-G513 WeakPolarHBondContact CA-O 3.14Å; M503-G513 VanDerWaalsContact CE-C 3.45Å; M503-G513 WeakPolarHBondContact CE-O 3.38Å; K504-G513 PolarHBondContact N-O 2.73Å; K504-G513 PolarHBondContact O-N 3.04Å
514P76Confident75.1Confident76 Ų7665 Ų6549%0.49431%0.314SS..EExtended strand (participates in β ladder)trans-49.9147.2166.3-24.533.1000111.3K504 E516 D517K504-P514 WeakPolarHBondContact CE-O 3.28Å; P514-E516 PolarHBondContact O-N 3.48Å; P514-D517 HydrophobicContact CB-CB 4.32Å; P514-D517 HydrophobicContact CG-CB 4.43Å; P514-D517 WeakPolarHBondContact O-CB 3.38Å; P514-D517 PolarHBondContact O-N 3.37Å
515Y73.5Confident75.4Confident135 Ų13569 Ų6953%0.52933%0.333SS..THydrogen-bonded Turntrans-56.2-27.3179.1-169.8-99.9000113.4R502 K504R502-Y515 WeakPolarHBondContact O-CB 3.44Å; R502-Y515 PolarHBondContact O-N 2.9Å; R502-Y515 VanDerWaalsContact O-N 3.11Å; K504-Y515 HydrophobicContact CB-CD2 4.33Å; K504-Y515 WeakPolarHBondContact CD-O 3.48Å; K504-Y515 WeakPolarHBondContact CE-O 3.31Å; K504-Y515 PolarHBondContact NZ-O 3.43Å
516E78.1Confident76Confident162 Ų16267.5 Ų67.576%0.75733%0.328SS*.THydrogen-bonded Turntrans-91.3-1.1-179-71.4155.3-149.700114.5P514 F518P514-E516 PolarHBondContact O-N 3.48Å; E516-F518 WeakPolarHBondContact O-CD2 3.3Å; E516-F518 PolarHBondContact O-N 2.83Å
517D80.4Confident76.2Confident29 Ų2975.5 Ų75.516%0.15536%0.363CS..  trans-74.283.5179.5177.50.2000111.8K504 P514 N520 F521K504-D517 WeakPolarHBondContact CE-O 3.19Å; K504-D517 PolarHBondContact NZ-O 2.86Å; P514-D517 HydrophobicContact CB-CB 4.32Å; P514-D517 HydrophobicContact CG-CB 4.43Å; P514-D517 WeakPolarHBondContact O-CB 3.38Å; P514-D517 PolarHBondContact O-N 3.37Å; D517-N520 WeakPolarHBondContact OD1-CB 3.44Å; D517-N520 PolarHBondContact OD1-N 3.01Å; D517-N520 PolarHBondContact OD1-ND2 3.19Å; D517-N520 WeakPolarHBondContact OD2-CB 3.48Å; D517-N520 PolarHBondContact OD2-ND2 3.09Å; D517-N520 VanDerWaalsContact OD2-ND2 3.1Å; D517-F521 HydrophobicContact CB-CD2 4.29Å; D517-F521 WeakPolarHBondContact O-CB 3.44Å
518F82.7Confident76.3Confident129 Ų12977.9 Ų77.957%0.56638%0.381SS*.THydrogen-bonded Turntrans-88.5-7.6178.4-67.4-79.2000113.5E516 H523E516-F518 WeakPolarHBondContact O-CD2 3.3Å; E516-F518 PolarHBondContact O-N 2.83Å; F518-H523 AromaticContact CD1-CE1 3.55Å; F518-H523 AromaticContact CD1-ND1 3.75Å; F518-H523 AromaticContact CE1-CE1 3.33Å; F518-H523 WeakPolarHBondContact CE1-CE1 3.41Å; F518-H523 AromaticContact CE1-ND1 3.69Å
519E81.6Confident77Confident172 Ų17276.6 Ų76.680%0.80438%0.375SS*.THydrogen-bonded Turntrans-73.9-51.3174.3-62.7-175.3151.900110.5V535E519-V535 WeakPolarHBondContact O-CG2 3.41Å
520N81.7Confident77.8Confident92 Ų9281.2 Ų81.249%0.49240%0.396SS..THydrogen-bonded Turntrans-84-13.6-179.3-56.7-72.9000113D517 C534 V535D517-N520 WeakPolarHBondContact OD1-CB 3.44Å; D517-N520 PolarHBondContact OD1-N 3.01Å; D517-N520 PolarHBondContact OD1-ND2 3.19Å; D517-N520 WeakPolarHBondContact OD2-CB 3.48Å; D517-N520 PolarHBondContact OD2-ND2 3.09Å; D517-N520 VanDerWaalsContact OD2-ND2 3.1Å; N520-C534 CarbonylContact O-C 3.59Å; N520-C534 WeakPolarHBondContact O-CA 3.41Å; N520-V535 PolarHBondContact O-N 3.48Å
521F85.7Confident78.8Confident5 Ų580.2 Ų80.22%0.02239%0.391CS..EExtended strand (participates in β ladder)trans-129.4110.1-176.6-63.2-100.2000115.1K504 C506 D517 H523 P532 Y533 C534K504-F521 HydrophobicContact CD-CB 4.43Å; K504-F521 HydrophobicContact CD-CG 4.49Å; C506-F521 HydrophobicContact CB-CD1 4.5Å; C506-F521 HydrophobicContact CB-CE1 4Å; D517-F521 HydrophobicContact CB-CD2 4.29Å; D517-F521 WeakPolarHBondContact O-CB 3.44Å; F521-H523 PolarHBondContact O-ND1 2.73Å; F521-P532 HydrophobicContact CD1-CB 4.46Å; F521-Y533 CarbonylContact C-O 3.5Å; F521-Y533 WeakPolarHBondContact CA-O 3.21Å; F521-C534 HydrophobicContact CD1-CB 4.27Å; F521-C534 HydrophobicContact CE1-CB 4.06Å; F521-C534 HydrophobicContact CZ-CB 4.45Å
522R85.4Confident79.5Confident104 Ų10477.7 Ų77.739%0.39238%0.379SS..EExtended strand (participates in β ladder)trans-87136166.5-72.1-167.4176.7-150.83.9111Y533 Y538 D554R522-Y533 PolarHBondContact N-O 2.87Å; R522-Y533 PolarHBondContact O-N 3.46Å; R522-Y533 VanDerWaalsContact O-O 3.08Å; R522-Y538 HydrophobicContact CB-CD1 4.27Å; R522-Y538 HydrophobicContact CB-CD2 3.45Å; R522-Y538 VanDerWaalsContact CB-CD2 3.45Å; R522-Y538 HydrophobicContact CB-CE2 3.77Å; R522-Y538 HydrophobicContact CB-CG 3.74Å; R522-D554 IonicContact CZ-OD2 3.63Å; R522-D554 IonicContact NH1-OD2 2.85Å; R522-D554 PolarHBondContact NH1-OD2 2.93Å; R522-D554 IonicContact NH2-OD2 3.44Å; R522-D554 PolarHBondContact NH2-OD2 3.28Å
523H86.6Confident80Confident52 Ų5275 Ų7524%0.24136%0.36CS..EExtended strand (participates in β ladder)trans-97.7152.9179.4-59.966.4000109.9F518 F521 E525 Q530 V531F518-H523 AromaticContact CD1-CE1 3.55Å; F518-H523 AromaticContact CD1-ND1 3.75Å; F518-H523 AromaticContact CE1-CE1 3.33Å; F518-H523 WeakPolarHBondContact CE1-CE1 3.41Å; F518-H523 AromaticContact CE1-ND1 3.69Å; F521-H523 PolarHBondContact O-ND1 2.73Å; H523-E525 PolarHBondContact O-N 2.99Å; H523-Q530 PolarHBondContact CD2-O 2.96Å; H523-V531 CarbonylContact C-O 3.59Å; H523-V531 WeakPolarHBondContact CA-O 3.43Å
524C83.5Confident80.4Confident6 Ų675.3 Ų75.34%0.04136%0.362CS..PPolyproline II helixtrans-64.2122.7176.4-178.50000111.2N526 C529 Q530 V531 C544 C547C524-N526 PolarHBondContact O-N 3.32Å; C524-C529 HydrophobicContact CB-CB 4.33Å; C524-Q530 WeakPolarHBondContact O-CA 3.49Å; C524-V531 HydrophobicContact CB-CB 4.42Å; C524-V531 PolarHBondContact N-O 2.85Å; C524-C544 HydrophobicContact CB-CB 4.41Å; C524-C544 VanDerWaalsContact SG-CB 3.51Å; C524-C544 PolarHBondContact SG-SG 3.17Å; C524-C547 VanDerWaalsContact SG-SG 3.61Å
525E81.8Confident80.7Confident93 Ų9374.4 Ų74.444%0.43536%0.355SS..SBendtrans-50.8-22.4179.1-64.9137.1-15000115H523 F527 Y538 Q552H523-E525 PolarHBondContact O-N 2.99Å; E525-F527 PolarHBondContact O-N 2.96Å; E525-Y538 VanDerWaalsContact CD-OH 3.27Å; E525-Y538 PolarHBondContact OE1-OH 3.49Å; E525-Q552 PolarHBondContact OE1-N 3.08Å; E525-Q552 PolarHBondContact OE2-N 2.91Å
526N79.8Confident80.7Confident28 Ų2874.2 Ų74.215%0.1536%0.358CS..  trans-69119.2175.7-175.3-33.9000111.2C524 D528 C529 Q530 Q549C524-N526 PolarHBondContact O-N 3.32Å; N526-D528 VanDerWaalsContact C-N 3.3Å; N526-D528 PolarHBondContact O-N 2.9Å; N526-D528 PolarHBondContact OD1-N 3.48Å; N526-C529 HydrophobicContact CB-CB 3.71Å; N526-C529 WeakPolarHBondContact O-CA 3.33Å; N526-C529 WeakPolarHBondContact O-CB 3.43Å; N526-C529 PolarHBondContact O-N 2.89Å; N526-Q530 PolarHBondContact O-N 3.49Å; N526-Q549 VanDerWaalsContact CG-OE1 3.28Å; N526-Q549 VanDerWaalsContact ND2-CD 3.35Å; N526-Q549 PolarHBondContact ND2-OE1 3.18Å
527F79.1Confident80.5Confident168 Ų16866.5 Ų66.574%0.73732%0.322SS*.THydrogen-bonded Turntrans-55-37.3-179.1-169.1-94.2000114.4E525 C529 Q530E525-F527 PolarHBondContact O-N 2.96Å; F527-C529 PolarHBondContact O-N 3.17Å; F527-Q530 WeakPolarHBondContact O-CG 3.47Å; F527-Q530 PolarHBondContact O-NE2 3.3Å
528D76Confident80.5Confident152 Ų15265.4 Ų65.481%0.81332%0.316SS*.THydrogen-bonded Turntrans-77.3-8.1176.9-66.4-30.3000113.2N526N526-D528 VanDerWaalsContact C-N 3.3Å; N526-D528 PolarHBondContact O-N 2.9Å; N526-D528 PolarHBondContact OD1-N 3.48Å
529C78Confident80.3Confident18 Ų1862.9 Ų62.912%0.12231%0.305CS..THydrogen-bonded Turntrans-110.1-62-171.3-1690000111.6C524 N526 F527 V531 N546 C547C524-C529 HydrophobicContact CB-CB 4.33Å; N526-C529 HydrophobicContact CB-CB 3.71Å; N526-C529 WeakPolarHBondContact O-CA 3.33Å; N526-C529 WeakPolarHBondContact O-CB 3.43Å; N526-C529 PolarHBondContact O-N 2.89Å; F527-C529 PolarHBondContact O-N 3.17Å; C529-V531 WeakPolarHBondContact O-CG2 3.35Å; C529-V531 PolarHBondContact O-N 3.2Å; C529-V531 VanDerWaalsContact SG-CG2 3.6Å; C529-N546 PolarHBondContact SG-ND2 2.72Å; C529-C547 HydrophobicContact CB-CB 3.96Å
530Q80.3Confident79.8Confident108 Ų10861.4 Ų61.451%0.50529%0.292SS..  trans44.527.1-178.7-59.5-177.436.200115H523 C524 N526 F527 P532H523-Q530 PolarHBondContact CD2-O 2.96Å; C524-Q530 WeakPolarHBondContact O-CA 3.49Å; N526-Q530 PolarHBondContact O-N 3.49Å; F527-Q530 WeakPolarHBondContact O-CG 3.47Å; F527-Q530 PolarHBondContact O-NE2 3.3Å; Q530-P532 WeakPolarHBondContact O-CD 3.45Å
531V78.3Confident78.9Confident15 Ų1558.6 Ų58.69%0.09128%0.278CS..  trans-72.6123.1-173.9165.30000110.4F507 H523 C524 C529 Y533 N546F507-V531 HydrophobicContact CB-CG1 3.24Å; F507-V531 HydrophobicContact CD1-CG1 4.2Å; F507-V531 HydrophobicContact CD2-CG1 3.41Å; F507-V531 VanDerWaalsContact CD2-CG1 3.41Å; F507-V531 HydrophobicContact CD2-CG2 4.39Å; F507-V531 HydrophobicContact CE2-CG1 4.26Å; F507-V531 HydrophobicContact CG-CG1 3.37Å; H523-V531 CarbonylContact C-O 3.59Å; H523-V531 WeakPolarHBondContact CA-O 3.43Å; C524-V531 HydrophobicContact CB-CB 4.42Å; C524-V531 PolarHBondContact N-O 2.85Å; C529-V531 WeakPolarHBondContact O-CG2 3.35Å; C529-V531 PolarHBondContact O-N 3.2Å; C529-V531 VanDerWaalsContact SG-CG2 3.6Å; V531-Y533 HydrophobicContact CB-CE2 4.36Å; V531-Y533 HydrophobicContact CG1-CE2 3.81Å; V531-Y533 WeakPolarHBondContact O-CD2 3.25Å; V531-Y533 WeakPolarHBondContact O-CE2 3.42Å; V531-N546 HydrophobicContact CG2-CB 3.89Å; V531-N546 WeakPolarHBondContact CG2-ND2 3.41Å
532P80.3Confident78.3Confident27 Ų2768.5 Ų68.518%0.17532%0.316CS..EExtended strand (participates in β ladder)trans-70143177.124.6-32000113.3F505 F507 F521 Q530F505-P532 WeakPolarHBondContact O-CG 3.4Å; F507-P532 WeakPolarHBondContact CB-O 3.47Å; F507-P532 PolarHBondContact N-O 3.12Å; F521-P532 HydrophobicContact CD1-CB 4.46Å; Q530-P532 WeakPolarHBondContact O-CD 3.45Å
533Y78.9Confident77.6Confident0 Ų071 Ų710%033%0.325CS..EExtended strand (participates in β ladder)trans-130147.2162.6-58.8-103.4000108.1C506 F507 D508 F521 R522 V531 C537 Y538 C544 L545C506-Y533 VanDerWaalsContact SG-CA 3.59Å; F507-Y533 HydrophobicContact CB-CD1 4.44Å; F507-Y533 HydrophobicContact CB-CE1 4.05Å; F507-Y533 HydrophobicContact CD1-CE1 4.39Å; D508-Y533 HydrophobicContact CB-CD1 4.09Å; D508-Y533 HydrophobicContact CB-CE1 4.26Å; F521-Y533 CarbonylContact C-O 3.5Å; F521-Y533 WeakPolarHBondContact CA-O 3.21Å; R522-Y533 PolarHBondContact N-O 2.87Å; R522-Y533 PolarHBondContact O-N 3.46Å; R522-Y533 VanDerWaalsContact O-O 3.08Å; V531-Y533 HydrophobicContact CB-CE2 4.36Å; V531-Y533 HydrophobicContact CG1-CE2 3.81Å; V531-Y533 WeakPolarHBondContact O-CD2 3.25Å; V531-Y533 WeakPolarHBondContact O-CE2 3.42Å; Y533-C537 HydrophobicContact CD1-CB 4.26Å; Y533-Y538 HydrophobicContact CD2-CD2 4.1Å; Y533-Y538 HydrophobicContact CD2-CE2 4.45Å; Y533-Y538 HydrophobicContact CG-CD2 4.37Å; Y533-C544 PolarHBondContact OH-SG 3.48Å; Y533-L545 HydrophobicContact CE1-CD1 4.24Å; Y533-L545 HydrophobicContact CE1-CG 4.28Å; Y533-L545 PolarHBondContact OH-N 3.14Å
534C80.9Confident77Confident11 Ų1168.5 Ų68.57%0.07431%0.314CS..EExtended strand (participates in β ladder)trans-66.4156.5162.869.80000109.7C506 C509 N520 F521 E536 C537 Y538C506-C534 HydrophobicContact CB-CB 4.2Å; C506-C534 PolarHBondContact SG-N 2.93Å; C509-C534 PolarHBondContact SG-SG 3.25Å; N520-C534 CarbonylContact O-C 3.59Å; N520-C534 WeakPolarHBondContact O-CA 3.41Å; F521-C534 HydrophobicContact CD1-CB 4.27Å; F521-C534 HydrophobicContact CE1-CB 4.06Å; F521-C534 HydrophobicContact CZ-CB 4.45Å; C534-E536 VanDerWaalsContact C-N 3.33Å; C534-E536 PolarHBondContact O-N 3.41Å; C534-C537 CarbonylContact O-C 3.51Å; C534-C537 PolarHBondContact O-N 3.42Å; C534-C537 VanDerWaalsContact SG-SG 3.65Å; C534-Y538 PolarHBondContact O-N 3.12Å
535V81.5Confident76.4Confident57 Ų5770.3 Ų70.335%0.34532%0.323SS..Hα-helixtrans-49.2-48.7-175171.60000112.7E519 N520 C537 Y538 F539E519-V535 WeakPolarHBondContact O-CG2 3.41Å; N520-V535 PolarHBondContact O-N 3.48Å; V535-C537 VanDerWaalsContact C-N 3.3Å; V535-C537 PolarHBondContact O-N 2.54Å; V535-Y538 WeakPolarHBondContact O-CB 3.49Å; V535-Y538 PolarHBondContact O-N 3.44Å; V535-Y538 VanDerWaalsContact O-N 3.11Å; V535-F539 HydrophobicContact CG1-CD2 4.07Å; V535-F539 HydrophobicContact CG1-CE2 3.92Å; V535-F539 WeakPolarHBondContact O-CD2 3.37Å; V535-F539 PolarHBondContact O-N 3.28Å
536E75Confident75.9Confident130 Ų13069.7 Ų69.761%0.60732%0.322SS*.Hα-helixtrans-53-46.6176.1-68.2-167.1172.900112.8C534 Y538 F539 R540C534-E536 VanDerWaalsContact C-N 3.33Å; C534-E536 PolarHBondContact O-N 3.41Å; E536-Y538 VanDerWaalsContact C-N 3.32Å; E536-F539 PolarHBondContact O-N 3.11Å; E536-R540 VanDerWaalsContact O-CB 3.25Å; E536-R540 WeakPolarHBondContact O-CB 3.36Å; E536-R540 PolarHBondContact O-N 2.95Å; E536-R540 IonicContact OE2-CZ 3.98Å; E536-R540 IonicContact OE2-NH2 3.26Å; E536-R540 PolarHBondContact OE2-NH2 2.96Å
537C72.8Confident75.8Confident0 Ų070.4 Ų70.40%033%0.329CS..Hα-helixtrans-79.4-17.9-175.9-68.10000112.7C506 D508 C509 Y533 C534 V535 R540 T541 K551C506-C537 VanDerWaalsContact SG-CB 3.51Å; D508-C537 HydrophobicContact CB-CB 3.86Å; D508-C537 PolarHBondContact OD2-SG 3.23Å; C509-C537 VanDerWaalsContact SG-SG 3.64Å; Y533-C537 HydrophobicContact CD1-CB 4.26Å; C534-C537 CarbonylContact O-C 3.51Å; C534-C537 PolarHBondContact O-N 3.42Å; C534-C537 VanDerWaalsContact SG-SG 3.65Å; V535-C537 VanDerWaalsContact C-N 3.3Å; V535-C537 PolarHBondContact O-N 2.54Å; C537-R540 PolarHBondContact SG-NH1 2.95Å; C537-R540 VanDerWaalsContact SG-NH1 3.45Å; C537-T541 PolarHBondContact O-OG1 3Å; C537-K551 PolarHBondContact O-NZ 2.97Å
538Y80.8Confident75.7Confident6 Ų668.2 Ų68.22%0.02432%0.319CS..Hα-helixtrans-64.2-50.9168-155.4-94.9000109.8R522 E525 Y533 C534 V535 E536 K551R522-Y538 HydrophobicContact CB-CD1 4.27Å; R522-Y538 HydrophobicContact CB-CD2 3.45Å; R522-Y538 VanDerWaalsContact CB-CD2 3.45Å; R522-Y538 HydrophobicContact CB-CE2 3.77Å; R522-Y538 HydrophobicContact CB-CG 3.74Å; E525-Y538 VanDerWaalsContact CD-OH 3.27Å; E525-Y538 PolarHBondContact OE1-OH 3.49Å; Y533-Y538 HydrophobicContact CD2-CD2 4.1Å; Y533-Y538 HydrophobicContact CD2-CE2 4.45Å; Y533-Y538 HydrophobicContact CG-CD2 4.37Å; C534-Y538 PolarHBondContact O-N 3.12Å; V535-Y538 WeakPolarHBondContact O-CB 3.49Å; V535-Y538 PolarHBondContact O-N 3.44Å; V535-Y538 VanDerWaalsContact O-N 3.11Å; E536-Y538 VanDerWaalsContact C-N 3.32Å; Y538-K551 HydrophobicContact CD1-CD 4.21Å; Y538-K551 HydrophobicContact CD2-CD 3.81Å; Y538-K551 HydrophobicContact CE1-CB 3.86Å; Y538-K551 HydrophobicContact CE1-CD 3.88Å; Y538-K551 HydrophobicContact CE1-CG 4.17Å; Y538-K551 HydrophobicContact CE2-CD 3.43Å; Y538-K551 VanDerWaalsContact CE2-CD 3.43Å; Y538-K551 HydrophobicContact CE2-CG 4.1Å; Y538-K551 HydrophobicContact CG-CD 4.17Å; Y538-K551 VanDerWaalsContact CZ-CD 3.46Å; Y538-K551 PolarHBondContact O-NZ 3.03Å; Y538-K551 WeakPolarHBondContact OH-CG 3.28Å
539F78Confident75.6Confident76 Ų7666 Ų6633%0.33330%0.304SS..Hα-helixtrans-79.4-29.5-178-64.2-66000114.2V535 E536 T541 A553V535-F539 HydrophobicContact CG1-CD2 4.07Å; V535-F539 HydrophobicContact CG1-CE2 3.92Å; V535-F539 WeakPolarHBondContact O-CD2 3.37Å; V535-F539 PolarHBondContact O-N 3.28Å; E536-F539 PolarHBondContact O-N 3.11Å; F539-T541 PolarHBondContact O-N 2.73Å; F539-A553 HydrophobicContact CD1-CB 4.49Å; F539-A553 HydrophobicContact CE1-CB 4.2Å
540R70.6Confident75.6Confident141 Ų14170.8 Ų70.853%0.53233%0.327SS..THydrogen-bonded Turntrans-56.5-17.7178.2-172.1174.4-67.2155.54.5115.1E536 C537E536-R540 VanDerWaalsContact O-CB 3.25Å; E536-R540 WeakPolarHBondContact O-CB 3.36Å; E536-R540 PolarHBondContact O-N 2.95Å; E536-R540 IonicContact OE2-CZ 3.98Å; E536-R540 IonicContact OE2-NH2 3.26Å; E536-R540 PolarHBondContact OE2-NH2 2.96Å; C537-R540 PolarHBondContact SG-NH1 2.95Å; C537-R540 VanDerWaalsContact SG-NH1 3.45Å
541T64Low75.3Confident34 Ų3466.3 Ų66.321%0.20931%0.306CS..  trans-139.3113.5-175.948.80000112.4C537 F539 R543 L545 K551C537-T541 PolarHBondContact O-OG1 3Å; F539-T541 PolarHBondContact O-N 2.73Å; T541-R543 PolarHBondContact O-N 3.34Å; T541-L545 HydrophobicContact CG2-CD2 4.32Å; T541-K551 WeakPolarHBondContact O-CE 3.49Å; T541-K551 PolarHBondContact O-NZ 3.15Å; T541-K551 PolarHBondContact OG1-NZ 2.97Å
542R71.7Confident74.7Confident213 Ų21372.4 Ų72.480%0.80433%0.333SS*.SBendtrans-62.1-6.9179.6-69.4-165.7-176.1-164.53.4115.8I550 K551R542-I550 WeakPolarHBondContact O-CA 3.35Å; R542-K551 PolarHBondContact O-N 2.85Å
543R71.9Confident73.7Confident156 Ų15674.4 Ų74.459%0.58935%0.352SS*.BIsolated β-bridgetrans-134.5145.6176.7-61.2-174.6-169.3-147.64.7110.8T541 L545 K548 Q549 I550T541-R543 PolarHBondContact O-N 3.34Å; R543-L545 PolarHBondContact O-N 2.64Å; R543-K548 WeakPolarHBondContact CD-O 3.37Å; R543-Q549 CarbonylContact C-O 3.33Å; R543-Q549 VanDerWaalsContact CA-O 3.22Å; R543-Q549 WeakPolarHBondContact CA-O 3.27Å; R543-Q549 WeakPolarHBondContact CB-O 3.49Å; R543-I550 HydrophobicContact CG-CG1 4.25Å
544C73.5Confident72.4Confident0 Ų079 Ų790%038%0.377CS..  trans-60.9126.7172-179.70000110.5C524 Y533 N546 K548 Q549C524-C544 HydrophobicContact CB-CB 4.41Å; C524-C544 VanDerWaalsContact SG-CB 3.51Å; C524-C544 PolarHBondContact SG-SG 3.17Å; Y533-C544 PolarHBondContact OH-SG 3.48Å; C544-N546 PolarHBondContact O-N 3.03Å; C544-K548 VanDerWaalsContact O-CA 3.23Å; C544-K548 WeakPolarHBondContact O-CA 3.25Å; C544-K548 PolarHBondContact O-N 2.8Å; C544-Q549 PolarHBondContact N-O 3.44Å
545L70.2Confident70.5Confident44 Ų4486.7 Ų86.723%0.2342%0.417CS..THydrogen-bonded Turntrans-65.6-23.6-179.8-64179.3000112.6F507 D508 Y533 T541 R543 K548F507-L545 HydrophobicContact CD1-CB 3.77Å; F507-L545 HydrophobicContact CD1-CD1 4.42Å; F507-L545 HydrophobicContact CE1-CB 3.65Å; D508-L545 HydrophobicContact CB-CD1 3.89Å; Y533-L545 HydrophobicContact CE1-CD1 4.24Å; Y533-L545 HydrophobicContact CE1-CG 4.28Å; Y533-L545 PolarHBondContact OH-N 3.14Å; T541-L545 HydrophobicContact CG2-CD2 4.32Å; R543-L545 PolarHBondContact O-N 2.64Å; L545-K548 PolarHBondContact O-NZ 2.86Å
546N71.4Confident68.9Low80 Ų8090.3 Ų90.343%0.42843%0.434SS..THydrogen-bonded Turntrans-81.6-80172.7-171.541.1000111.6F507 C529 V531 C544 K548F507-N546 HydrophobicContact CE1-CB 4.17Å; F507-N546 HydrophobicContact CE2-CB 4.24Å; F507-N546 HydrophobicContact CZ-CB 3.84Å; C529-N546 PolarHBondContact SG-ND2 2.72Å; V531-N546 HydrophobicContact CG2-CB 3.89Å; V531-N546 WeakPolarHBondContact CG2-ND2 3.41Å; C544-N546 PolarHBondContact O-N 3.03Å; N546-K548 PolarHBondContact O-N 3.28Å
547C77.7Confident67.2Low42 Ų4293.9 Ų93.928%0.28445%0.45SS..THydrogen-bonded Turntrans-80-5.1-170.9690000116.1C524 C529 Q549C524-C547 VanDerWaalsContact SG-SG 3.61Å; C529-C547 HydrophobicContact CB-CB 3.96Å; C547-Q549 PolarHBondContact O-N 2.79Å
548K76.8Confident65.9Low122 Ų12299.9 Ų99.953%0.5348%0.481SS..  trans62.81.1179.1-47-52.5-173.6-170.90117.3R543 C544 L545 N546R543-K548 WeakPolarHBondContact CD-O 3.37Å; C544-K548 VanDerWaalsContact O-CA 3.23Å; C544-K548 WeakPolarHBondContact O-CA 3.25Å; C544-K548 PolarHBondContact O-N 2.8Å; L545-K548 PolarHBondContact O-NZ 2.86Å; N546-K548 PolarHBondContact O-N 3.28Å
549Q75.1Confident63.9Low106 Ų106106 Ų10650%0.49551%0.514SS..PPolyproline II helixtrans-61.5154.4165.4-84.1-174.8-22.900111.2N526 R543 C544 C547N526-Q549 VanDerWaalsContact CG-OE1 3.28Å; N526-Q549 VanDerWaalsContact ND2-CD 3.35Å; N526-Q549 PolarHBondContact ND2-OE1 3.18Å; R543-Q549 CarbonylContact C-O 3.33Å; R543-Q549 VanDerWaalsContact CA-O 3.22Å; R543-Q549 WeakPolarHBondContact CA-O 3.27Å; R543-Q549 WeakPolarHBondContact CB-O 3.49Å; C544-Q549 PolarHBondContact N-O 3.44Å; C547-Q549 PolarHBondContact O-N 2.79Å
550I76.7Confident62.3Low119 Ų119109.8 Ų109.861%0.6153%0.533SS*.BIsolated β-bridgetrans-68.2143172.7-61.4171.1000107.7R542 R543R542-I550 WeakPolarHBondContact O-CA 3.35Å; R543-I550 HydrophobicContact CG-CG1 4.25Å
551K75.6Confident61Low13 Ų13110.7 Ų110.76%0.05754%0.543CS..PPolyproline II helixtrans-94.7137.5169.2-74.9177.2-82.3169.10108.2C537 Y538 T541 R542C537-K551 PolarHBondContact O-NZ 2.97Å; Y538-K551 HydrophobicContact CD1-CD 4.21Å; Y538-K551 HydrophobicContact CD2-CD 3.81Å; Y538-K551 HydrophobicContact CE1-CB 3.86Å; Y538-K551 HydrophobicContact CE1-CD 3.88Å; Y538-K551 HydrophobicContact CE1-CG 4.17Å; Y538-K551 HydrophobicContact CE2-CD 3.43Å; Y538-K551 VanDerWaalsContact CE2-CD 3.43Å; Y538-K551 HydrophobicContact CE2-CG 4.1Å; Y538-K551 HydrophobicContact CG-CD 4.17Å; Y538-K551 VanDerWaalsContact CZ-CD 3.46Å; Y538-K551 PolarHBondContact O-NZ 3.03Å; Y538-K551 WeakPolarHBondContact OH-CG 3.28Å; T541-K551 WeakPolarHBondContact O-CE 3.49Å; T541-K551 PolarHBondContact O-NZ 3.15Å; T541-K551 PolarHBondContact OG1-NZ 2.97Å; R542-K551 PolarHBondContact O-N 2.85Å
552Q66Low60.2Low144 Ų144118.4 Ų118.467%0.67357%0.574SS**PPolyproline II helixtrans-68.8155.5171.6-68.5-178.1-4000110.6E525E525-Q552 PolarHBondContact OE1-N 3.08Å; E525-Q552 PolarHBondContact OE2-N 2.91Å
553A58.2Low58.9Low69 Ų69111.4 Ų111.457%0.5756%0.561SS**  trans-136.2124.6172.900000107F539F539-A553 HydrophobicContact CD1-CB 4.49Å; F539-A553 HydrophobicContact CE1-CB 4.2Å
554D52.1Low57.4Low97 Ų97107.2 Ų107.252%0.51957%0.567SS.*  trans-73.4149.1169.8-46.5-61.2000108.4R522 L556R522-D554 IonicContact CZ-OD2 3.63Å; R522-D554 IonicContact NH1-OD2 2.85Å; R522-D554 PolarHBondContact NH1-OD2 2.93Å; R522-D554 IonicContact NH2-OD2 3.44Å; R522-D554 PolarHBondContact NH2-OD2 3.28Å; D554-L556 PolarHBondContact O-N 2.97Å
555D40.4Very low56.1Low172 Ų172114.1 Ų114.192%0.9260%0.603SS**  trans-67.794.7-170.2-65.5-53.2000113
556L48.2Very low54.9Low133 Ų133118.8 Ų118.870%0.69662%0.623SS**  trans-119.1112.7166.6-87.8161.1000108.3D554 I558D554-L556 PolarHBondContact O-N 2.97Å; L556-I558 PolarHBondContact O-N 3.17Å
557E39.9Very low54Low204 Ų204118.5 Ų118.595%0.95362%0.622SS**  trans-65.6120.1172.8-65-174.7138.800109.5
558I44.3Very low53.1Low127 Ų127118.9 Ų118.965%0.65163%0.625SS**  trans-120.2116.4177.2-61.8173.3000107.3L556 E560L556-I558 PolarHBondContact O-N 3.17Å; I558-E560 PolarHBondContact O-N 2.98Å; I558-E560 VanDerWaalsContact O-N 3.07Å
559D40.3Very low52.5Low134 Ų134117.8 Ų117.872%0.71763%0.63SS**  trans-51.9112.3177.5-82.5-49.1000112.2E561D559-E561 VanDerWaalsContact C-N 3.26Å; D559-E561 PolarHBondContact O-N 3.43Å
560E43.1Very low52.3Low156 Ų156120.3 Ų120.373%0.72964%0.642SS**G310 helixtrans-71.5-18-175.8-64.4-159.4128.800113.3I558 K562 A563I558-E560 PolarHBondContact O-N 2.98Å; I558-E560 VanDerWaalsContact O-N 3.07Å; E560-K562 PolarHBondContact O-N 3.3Å; E560-K562 VanDerWaalsContact O-N 3.09Å; E560-A563 VanDerWaalsContact O-CB 3.3Å; E560-A563 WeakPolarHBondContact O-CB 3.39Å; E560-A563 PolarHBondContact O-N 3.41Å
561E43.7Very low51.6Low159 Ų159118.9 Ų118.974%0.74363%0.633SS**G310 helixtrans-54.2-33.9-177.3-69.5-158.8133.900113.5D559 A563D559-E561 VanDerWaalsContact C-N 3.26Å; D559-E561 PolarHBondContact O-N 3.43Å; E561-A563 PolarHBondContact O-N 3.32Å; E561-A563 VanDerWaalsContact O-N 3.15Å
562K46.8Very low51Low197 Ų197122.6 Ų122.686%0.85765%0.65SS**G310 helixtrans-68.7-9.9-178.9-80.7174179.81590114.3E560 G564E560-K562 PolarHBondContact O-N 3.3Å; E560-K562 VanDerWaalsContact O-N 3.09Å; K562-G564 VanDerWaalsContact C-N 3.28Å; K562-G564 PolarHBondContact O-N 3.11Å
563A43.9Very low51.1Low65 Ų65123.1 Ų123.154%0.53765%0.65SS.*G310 helixtrans-71.8-16.4-175.200000114.6E560 E561 L565E560-A563 VanDerWaalsContact O-CB 3.3Å; E560-A563 WeakPolarHBondContact O-CB 3.39Å; E560-A563 PolarHBondContact O-N 3.41Å; E561-A563 PolarHBondContact O-N 3.32Å; E561-A563 VanDerWaalsContact O-N 3.15Å; A563-L565 HydrophobicContact CB-CB 4.3Å; A563-L565 HydrophobicContact CB-CD1 4.48Å; A563-L565 PolarHBondContact O-N 2.93Å; A563-L565 VanDerWaalsContact O-N 3.11Å
564G40.6Very low51.5Low69 Ų69122.3 Ų122.371%0.71164%0.644SS**  trans58.425.5-179.700000113.8K562K562-G564 VanDerWaalsContact C-N 3.28Å; K562-G564 PolarHBondContact O-N 3.11Å
565L47.7Very low51.8Low144 Ų144119.5 Ų119.575%0.75463%0.634SS**  trans-109.64.6-173.4-97.4161.5000113.1A563 L567A563-L565 HydrophobicContact CB-CB 4.3Å; A563-L565 HydrophobicContact CB-CD1 4.48Å; A563-L565 PolarHBondContact O-N 2.93Å; A563-L565 VanDerWaalsContact O-N 3.11Å; L565-L567 PolarHBondContact O-N 3.28Å
566H44.6Very low53.1Low142 Ų142115.6 Ų115.666%0.65761%0.613SS**  trans-58.3104.2167.8-72.1-77.5000110
567L52Low54Low75 Ų75116 Ų11639%0.39361%0.609SS.*  trans-52145.6153.9-65.2159.9000107.7L565 E571 E572 A575L565-L567 PolarHBondContact O-N 3.28Å; L567-E571 HydrophobicContact CB-CB 3.84Å; L567-E571 HydrophobicContact CD2-CB 3.94Å; L567-E571 HydrophobicContact CG-CB 4.49Å; L567-E572 HydrophobicContact CB-CB 3.87Å; L567-E572 HydrophobicContact CB-CG 4.31Å; L567-E572 HydrophobicContact CD1-CB 4.33Å; L567-E572 HydrophobicContact CD1-CG 4.09Å; L567-A575 HydrophobicContact CD1-CB 3.91Å
568S59.2Low55Low49 Ų49108 Ų10834%0.34358%0.578SS.*  trans-57.8156168.9840000109.8E570 E571 E572S568-E570 CarbonylContact O-C 3.54Å; S568-E570 PolarHBondContact O-N 2.74Å; S568-E570 PolarHBondContact OG-N 2.8Å; S568-E571 CarbonylContact O-C 3.56Å; S568-E571 WeakPolarHBondContact O-CA 3.3Å; S568-E571 PolarHBondContact O-N 3.1Å; S568-E571 PolarHBondContact OG-N 3.36Å; S568-E572 PolarHBondContact O-N 3.33Å
569P64.7Low55.8Low99 Ų99103.6 Ų103.664%0.64356%0.56SS**Hα-helixtrans-56.2-20.4176.9-28.236.3000114.1K573P569-K573 WeakPolarHBondContact O-CB 3.26Å; P569-K573 VanDerWaalsContact O-CD 3.3Å; P569-K573 WeakPolarHBondContact O-CD 3.5Å; P569-K573 WeakPolarHBondContact O-CG 3.46Å; P569-K573 PolarHBondContact O-N 3.19Å
570E70.9Confident56.9Low159 Ų159104.1 Ų104.174%0.74356%0.556SS**Hα-helixtrans-82.1-44.1169.6-59.5-165.3124.900113.1S568 E572 K573 A574S568-E570 CarbonylContact O-C 3.54Å; S568-E570 PolarHBondContact O-N 2.74Å; S568-E570 PolarHBondContact OG-N 2.8Å; E570-E572 VanDerWaalsContact C-N 3.3Å; E570-E572 PolarHBondContact O-N 3.28Å; E570-K573 PolarHBondContact O-N 2.88Å; E570-A574 VanDerWaalsContact O-CB 3.23Å; E570-A574 WeakPolarHBondContact O-CB 3.09Å; E570-A574 PolarHBondContact O-N 3.29Å
571E61.5Low57.7Low90 Ų90102.2 Ų102.242%0.42154%0.542SS..Hα-helixtrans-64.8-33.7175.4-74.8-165.5120.900112L567 S568 A574 A575L567-E571 HydrophobicContact CB-CB 3.84Å; L567-E571 HydrophobicContact CD2-CB 3.94Å; L567-E571 HydrophobicContact CG-CB 4.49Å; S568-E571 CarbonylContact O-C 3.56Å; S568-E571 WeakPolarHBondContact O-CA 3.3Å; S568-E571 PolarHBondContact O-N 3.1Å; S568-E571 PolarHBondContact OG-N 3.36Å; E571-A574 PolarHBondContact O-N 2.97Å; E571-A575 VanDerWaalsContact O-CB 3.26Å; E571-A575 WeakPolarHBondContact O-CB 3.3Å; E571-A575 PolarHBondContact O-N 3.1Å
572E63.5Low58.3Low91 Ų9199.4 Ų99.443%0.42553%0.525SS..Hα-helixtrans-72.9-45.6176.1-152.6-150.4130.100110.8L567 S568 E570 A574 A575 N576L567-E572 HydrophobicContact CB-CB 3.87Å; L567-E572 HydrophobicContact CB-CG 4.31Å; L567-E572 HydrophobicContact CD1-CB 4.33Å; L567-E572 HydrophobicContact CD1-CG 4.09Å; S568-E572 PolarHBondContact O-N 3.33Å; E570-E572 VanDerWaalsContact C-N 3.3Å; E570-E572 PolarHBondContact O-N 3.28Å; E572-A574 PolarHBondContact O-N 3.44Å; E572-A575 PolarHBondContact O-N 3.11Å; E572-A575 VanDerWaalsContact O-N 3.16Å; E572-N576 WeakPolarHBondContact O-CB 3.42Å; E572-N576 PolarHBondContact O-N 3.09Å; E572-N576 PolarHBondContact O-ND2 2.88Å; E572-N576 PolarHBondContact OE1-ND2 2.79Å
573K66.9Low58.9Low154 Ų15493.8 Ų93.867%0.6750%0.504SS*.Hα-helixtrans-57.2-37.8168.6-78.3172.2-174.5169.90111.4P569 E570 K577P569-K573 WeakPolarHBondContact O-CB 3.26Å; P569-K573 VanDerWaalsContact O-CD 3.3Å; P569-K573 WeakPolarHBondContact O-CD 3.5Å; P569-K573 WeakPolarHBondContact O-CG 3.46Å; P569-K573 PolarHBondContact O-N 3.19Å; E570-K573 PolarHBondContact O-N 2.88Å; K573-K577 WeakPolarHBondContact O-CB 2.88Å; K573-K577 PolarHBondContact O-N 3Å
574A67.3Low59.7Low53 Ų5393.9 Ų93.944%0.43850%0.495SS..Hα-helixtrans-69.5-40.8176.100000112.3E570 E571 E572 A578E570-A574 VanDerWaalsContact O-CB 3.23Å; E570-A574 WeakPolarHBondContact O-CB 3.09Å; E570-A574 PolarHBondContact O-N 3.29Å; E571-A574 PolarHBondContact O-N 2.97Å; E572-A574 PolarHBondContact O-N 3.44Å; A574-A578 WeakPolarHBondContact O-CB 3.16Å; A574-A578 PolarHBondContact O-N 3.24Å
575A59.2Low60.7Low38 Ų3892.3 Ų92.331%0.31447%0.468SS..Hα-helixtrans-66.2-48.9176.500000111.5L567 E571 E572 A578 A579L567-A575 HydrophobicContact CD1-CB 3.91Å; E571-A575 VanDerWaalsContact O-CB 3.26Å; E571-A575 WeakPolarHBondContact O-CB 3.3Å; E571-A575 PolarHBondContact O-N 3.1Å; E572-A575 PolarHBondContact O-N 3.11Å; E572-A575 VanDerWaalsContact O-N 3.16Å; A575-A578 CarbonylContact O-C 3.56Å; A575-A578 WeakPolarHBondContact O-CA 3.19Å; A575-A578 WeakPolarHBondContact O-CB 3.34Å; A575-A578 PolarHBondContact O-N 3.07Å; A575-A579 PolarHBondContact O-N 3.44Å
576N66.2Low61.2Low89 Ų8987.4 Ų87.448%0.47644%0.442SS..Hα-helixtrans-66.1-39.2177.6-66.6-19.8000111.1E572 A578 A579 K580E572-N576 WeakPolarHBondContact O-CB 3.42Å; E572-N576 PolarHBondContact O-N 3.09Å; E572-N576 PolarHBondContact O-ND2 2.88Å; E572-N576 PolarHBondContact OE1-ND2 2.79Å; N576-A578 PolarHBondContact O-N 3.31Å; N576-A579 PolarHBondContact O-N 2.83Å; N576-K580 PolarHBondContact O-N 3.36Å
577K67.8Low61.9Low143 Ų14390.3 Ų90.362%0.62245%0.449SS*.Hα-helixtrans-69.7-18.2170.7-166.3170.7-174.5172.20112.7K573 R581K573-K577 WeakPolarHBondContact O-CB 2.88Å; K573-K577 PolarHBondContact O-N 3Å; K577-R581 WeakPolarHBondContact O-CB 3.26Å; K577-R581 WeakPolarHBondContact O-CG 3.26Å; K577-R581 PolarHBondContact O-N 2.89Å; K577-R581 PolarHBondContact O-NE 3.32Å; K577-R581 PolarHBondContact O-NH2 3.45Å
578A61.5Low62Low36 Ų3693.4 Ų93.430%0.29846%0.463SS..Hα-helixtrans-91.8-23.6171.800000113A574 A575 N576 R582A574-A578 WeakPolarHBondContact O-CB 3.16Å; A574-A578 PolarHBondContact O-N 3.24Å; A575-A578 CarbonylContact O-C 3.56Å; A575-A578 WeakPolarHBondContact O-CA 3.19Å; A575-A578 WeakPolarHBondContact O-CB 3.34Å; A575-A578 PolarHBondContact O-N 3.07Å; N576-A578 PolarHBondContact O-N 3.31Å; A578-R582 VanDerWaalsContact O-CB 3.3Å; A578-R582 WeakPolarHBondContact O-CB 3.4Å; A578-R582 PolarHBondContact O-N 3.16Å; A578-R582 VanDerWaalsContact O-N 3.1Å
579A61Low61.7Low33 Ų3394.9 Ų94.927%0.27347%0.467SS..Hα-helixtrans-71.5-55.8168.300000109.7A575 N576 R581 R582 D583A575-A579 PolarHBondContact O-N 3.44Å; N576-A579 PolarHBondContact O-N 2.83Å; A579-R581 VanDerWaalsContact C-N 3.32Å; A579-R581 PolarHBondContact O-N 2.78Å; A579-R582 WeakPolarHBondContact O-CA 3.46Å; A579-R582 WeakPolarHBondContact O-CB 3.38Å; A579-R582 PolarHBondContact O-N 3.3Å; A579-D583 PolarHBondContact O-N 2.78Å
580K63.1Low61.5Low145 Ų14594.7 Ų94.763%0.6346%0.458SS*.Hα-helixtrans-53.8-46.5175.5-173.5165.2-176.3168.40112.4N576 R582 D583 D584N576-K580 PolarHBondContact O-N 3.36Å; K580-R582 VanDerWaalsContact C-N 3.3Å; K580-R582 PolarHBondContact O-N 3.47Å; K580-D583 PolarHBondContact O-N 3.38Å; K580-D583 VanDerWaalsContact O-N 3.17Å; K580-D584 PolarHBondContact O-N 2.94Å
581R60.2Low61Low117 Ų11791.3 Ų91.344%0.44244%0.443SS..Hα-helixtrans-63.3-28.9173.2-79.2-178.5-67.4178.71.4114.2K577 A579 D584 Y585K577-R581 WeakPolarHBondContact O-CB 3.26Å; K577-R581 WeakPolarHBondContact O-CG 3.26Å; K577-R581 PolarHBondContact O-N 2.89Å; K577-R581 PolarHBondContact O-NE 3.32Å; K577-R581 PolarHBondContact O-NH2 3.45Å; A579-R581 VanDerWaalsContact C-N 3.32Å; A579-R581 PolarHBondContact O-N 2.78Å; R581-D584 WeakPolarHBondContact CA-OD2 3.16Å; R581-Y585 HydrophobicContact CB-CE2 4.27Å; R581-Y585 WeakPolarHBondContact O-CB 2.98Å; R581-Y585 WeakPolarHBondContact O-CD2 3.34Å; R581-Y585 VanDerWaalsContact O-CG 3.25Å; R581-Y585 PolarHBondContact O-N 2.78Å
582R55.5Low61Low99 Ų9991.4 Ų91.437%0.37445%0.445SS..Hα-helixtrans-68.5-42.6174.3-177.4-164.6-51.2179.76.4110.1A578 A579 K580 Y585 I586A578-R582 VanDerWaalsContact O-CB 3.3Å; A578-R582 WeakPolarHBondContact O-CB 3.4Å; A578-R582 PolarHBondContact O-N 3.16Å; A578-R582 VanDerWaalsContact O-N 3.1Å; A579-R582 WeakPolarHBondContact O-CA 3.46Å; A579-R582 WeakPolarHBondContact O-CB 3.38Å; A579-R582 PolarHBondContact O-N 3.3Å; K580-R582 VanDerWaalsContact C-N 3.3Å; K580-R582 PolarHBondContact O-N 3.47Å; R582-Y585 PolarHBondContact O-N 3.5Å; R582-I586 HydrophobicContact CG-CD1 3.98Å; R582-I586 WeakPolarHBondContact O-CB 3.36Å; R582-I586 VanDerWaalsContact O-CG1 3.26Å; R582-I586 WeakPolarHBondContact O-CG1 3.32Å; R582-I586 PolarHBondContact O-N 2.76Å
583D60Low60.8Low79 Ų7991.4 Ų91.442%0.42245%0.446SS..Hα-helixtrans-67.5-46.8177.5-50.7-33.8000109.6A579 K580 Y585 I586 Y587A579-D583 PolarHBondContact O-N 2.78Å; K580-D583 PolarHBondContact O-N 3.38Å; K580-D583 VanDerWaalsContact O-N 3.17Å; D583-Y585 VanDerWaalsContact C-N 3.3Å; D583-Y585 PolarHBondContact O-N 2.87Å; D583-I586 WeakPolarHBondContact O-CA 3.23Å; D583-I586 PolarHBondContact O-N 3.35Å; D583-Y587 HydrophobicContact CB-CE2 4.42Å; D583-Y587 WeakPolarHBondContact O-CD2 3.49Å; D583-Y587 PolarHBondContact O-N 2.91Å
584D60.2Low60.5Low67 Ų6787.5 Ų87.536%0.35843%0.432SS..Hα-helixtrans-51.1-46.6171.1-58.2-34.5000111.5K580 R581 Y587 M588K580-D584 PolarHBondContact O-N 2.94Å; R581-D584 WeakPolarHBondContact CA-OD2 3.16Å; D584-Y587 PolarHBondContact O-N 3.05Å; D584-M588 VanDerWaalsContact O-CG 3.26Å; D584-M588 WeakPolarHBondContact O-CG 3.3Å; D584-M588 PolarHBondContact O-N 2.96Å
585Y61.2Low60Low36 Ų3689.8 Ų89.814%0.14143%0.431CS..Hα-helixtrans-71.4-25177.2-71.1-48.9000114R581 R582 D583 M588 L589R581-Y585 HydrophobicContact CB-CE2 4.27Å; R581-Y585 WeakPolarHBondContact O-CB 2.98Å; R581-Y585 WeakPolarHBondContact O-CD2 3.34Å; R581-Y585 VanDerWaalsContact O-CG 3.25Å; R581-Y585 PolarHBondContact O-N 2.78Å; R582-Y585 PolarHBondContact O-N 3.5Å; D583-Y585 VanDerWaalsContact C-N 3.3Å; D583-Y585 PolarHBondContact O-N 2.87Å; Y585-M588 PolarHBondContact O-N 3.46Å; Y585-L589 WeakPolarHBondContact O-CD1 3.34Å; Y585-L589 WeakPolarHBondContact O-CG 3.16Å
586I59.1Low60.1Low41 Ų4193.5 Ų93.521%0.2144%0.44CS..Hα-helixtrans-76.4-29.4175.4-76.4168.1000110.8Y283 R582 D583 M588Y283-I586 HydrophobicContact CE2-CG2 4.1Å; R582-I586 HydrophobicContact CG-CD1 3.98Å; R582-I586 WeakPolarHBondContact O-CB 3.36Å; R582-I586 VanDerWaalsContact O-CG1 3.26Å; R582-I586 WeakPolarHBondContact O-CG1 3.32Å; R582-I586 PolarHBondContact O-N 2.76Å; D583-I586 WeakPolarHBondContact O-CA 3.23Å; D583-I586 PolarHBondContact O-N 3.35Å; I586-M588 VanDerWaalsContact C-N 3.3Å
587Y58.3Low59.6Low203 Ų20393.8 Ų93.880%0.79644%0.437SS*.THydrogen-bonded Turntrans-81.6-3.4170.4-65.7-64.2000114D583 D584D583-Y587 HydrophobicContact CB-CE2 4.42Å; D583-Y587 WeakPolarHBondContact O-CD2 3.49Å; D583-Y587 PolarHBondContact O-N 2.91Å; D584-Y587 PolarHBondContact O-N 3.05Å
588M55.3Low58.9Low140 Ų14089.8 Ų89.869%0.6942%0.421SS*.THydrogen-bonded Turntrans-111.311.2177.8-69.4179.3-170.600113.9D584 Y585 I586D584-M588 VanDerWaalsContact O-CG 3.26Å; D584-M588 WeakPolarHBondContact O-CG 3.3Å; D584-M588 PolarHBondContact O-N 2.96Å; Y585-M588 PolarHBondContact O-N 3.46Å; I586-M588 VanDerWaalsContact C-N 3.3Å
589L51.6Low58.7Low81 Ų8194.6 Ų94.642%0.42443%0.433SS..  trans-129.10-175-80.9176.5000112.9P6 L282 Y283 Y585P6-L589 HydrophobicContact CB-CD2 3.85Å; L282-L589 HydrophobicContact CD2-CD1 4.25Å; L282-L589 HydrophobicContact CD2-CD2 4.06Å; L282-L589 HydrophobicContact CG-CD1 4.12Å; Y283-L589 HydrophobicContact CD2-CB 4.37Å; Y585-L589 WeakPolarHBondContact O-CD1 3.34Å; Y585-L589 WeakPolarHBondContact O-CG 3.16Å

Retrieved 589 of 589 residues in 759.2 ms (Link to these results)

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