A0A077ZBH2_TRITR Loading...

PCMT domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBH2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 358 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low50.8Low248 Ų24899.7 Ų99.7100%1.22257%0.574SS**  096.40-62.1-173.5-161.600107.1
2G29.6Very low53.2Low70 Ų7098.6 Ų98.672%0.72256%0.56SS**  trans-95.4111-178.800000109.7Y4G2-Y4 PolarHBondContact O-N 2.79Å
3S29.2Very low55.2Low108 Ų10892.9 Ų92.976%0.75553%0.533SS*.  trans-71.7113.4168.6590000108.3V5S3-V5 PolarHBondContact O-N 3.3Å; S3-V5 VanDerWaalsContact O-N 3.13Å
4Y34.9Very low57.5Low212 Ų21286.3 Ų86.383%0.83149%0.494SS*.  trans-72.799.7170.7-90.6-100.2000108.2G2 S6G2-Y4 PolarHBondContact O-N 2.79Å; Y4-S6 PolarHBondContact O-N 2.8Å
5V35.7Very low59.3Low111 Ų11180.5 Ų80.567%0.67346%0.462SS*.  trans-85.7104.3166.6-1770000106.6S3 S7S3-V5 PolarHBondContact O-N 3.3Å; S3-V5 VanDerWaalsContact O-N 3.13Å; V5-S7 PolarHBondContact O-N 3.14Å
6S43.3Very low60.6Low39 Ų3979.8 Ų79.827%0.27346%0.455SS..  trans-56.6110.9173.7-177.60000109.5Y4 T8 E47Y4-S6 PolarHBondContact O-N 2.8Å; S6-T8 PolarHBondContact O-N 3.04Å; S6-T8 VanDerWaalsContact O-N 3.07Å; S6-E47 WeakPolarHBondContact CB-OE1 3.44Å
7S49.5Very low61.8Low88 Ų8879.8 Ų79.862%0.61545%0.447SS*.SBendtrans-79.515.7-160.355.30000116V5V5-S7 PolarHBondContact O-N 3.14Å
8T58.5Low63Low10 Ų1075.4 Ų75.46%0.06142%0.422CS..  trans-101.992.8173.8430000110.4S6 A13 R17 Y49S6-T8 PolarHBondContact O-N 3.04Å; S6-T8 VanDerWaalsContact O-N 3.07Å; T8-A13 HydrophobicContact CG2-CB 4.3Å; T8-R17 HydrophobicContact CG2-CG 4.18Å; T8-Y49 WeakPolarHBondContact O-CB 3.3Å; T8-Y49 WeakPolarHBondContact O-CD2 3.47Å; T8-Y49 PolarHBondContact OG1-O 2.87Å; T8-Y49 VanDerWaalsContact OG1-O 3.09Å
9L73.9Confident63.9Low138 Ų13874.3 Ų74.372%0.72341%0.414SS*.  trans-87.3-10.5179.1-63.1175.6000113.3Y49L9-Y49 VanDerWaalsContact C-CD2 3.49Å; L9-Y49 WeakPolarHBondContact O-CE2 3.01Å
10T82.6Confident64.5Low67 Ų6776.1 Ų76.141%0.41142%0.423SS..SBendtrans-140.7158.5-174.869.20000111.9H12 A13 M14T10-H12 PolarHBondContact O-N 2.89Å; T10-A13 PolarHBondContact O-N 2.83Å; T10-A13 PolarHBondContact OG1-N 2.82Å; T10-A13 VanDerWaalsContact OG1-N 3.17Å; T10-M14 PolarHBondContact O-N 2.88Å; T10-M14 VanDerWaalsContact O-N 3.09Å
11N87.2Confident64.9Low6 Ų674.6 Ų74.63%0.03242%0.417CS..Hα-helixtrans-57.5-38.1173.7-167.661.8000111.9M14 V15 M32 R33 V35 D36 R37 Y49N11-M14 WeakPolarHBondContact O-CB 3.46Å; N11-M14 PolarHBondContact O-N 2.91Å; N11-M14 VanDerWaalsContact OD1-CE 3.24Å; N11-M14 WeakPolarHBondContact OD1-CE 3.41Å; N11-V15 WeakPolarHBondContact O-CG2 3.29Å; N11-V15 PolarHBondContact O-N 2.75Å; N11-M32 PolarHBondContact ND2-O 2.78Å; N11-R33 PolarHBondContact ND2-O 2.46Å; N11-V35 PolarHBondContact ND2-O 3Å; N11-D36 HydrophobicContact CB-CB 4.49Å; N11-R37 PolarHBondContact OD1-N 3.36Å; N11-Y49 HydrophobicContact CB-CD1 4.39Å; N11-Y49 HydrophobicContact CB-CE1 3.92Å
12H80.3Confident66.7Low86 Ų8663.3 Ų63.340%0.39836%0.362SS..Hα-helixtrans-64.5-45.9177.4-66.3-57.6000112.6T10 M14 V15 D16 R33T10-H12 PolarHBondContact O-N 2.89Å; H12-M14 VanDerWaalsContact C-N 3.25Å; H12-M14 PolarHBondContact O-N 3.34Å; H12-V15 PolarHBondContact O-N 3.25Å; H12-V15 VanDerWaalsContact O-N 3.14Å; H12-D16 PolarHBondContact O-N 3Å; H12-R33 PolarHBondContact O-NH1 3.32Å
13A78.3Confident69Low25 Ų2567.3 Ų67.321%0.20736%0.362CS..Hα-helixtrans-63.2-34177.200000111.9T8 T10 R17T8-A13 HydrophobicContact CG2-CB 4.3Å; T10-A13 PolarHBondContact O-N 2.83Å; T10-A13 PolarHBondContact OG1-N 2.82Å; T10-A13 VanDerWaalsContact OG1-N 3.17Å; A13-R17 WeakPolarHBondContact O-CG 3.41Å; A13-R17 PolarHBondContact O-N 3.35Å; A13-R17 VanDerWaalsContact O-N 3.16Å
14M87.9Confident71.6Confident0 Ų063.6 Ų63.60%033%0.333CS..Hα-helixtrans-62.3-48.8172.3-176-173.96900111.3T10 N11 H12 R17 V18 R37 Y49 L51 P64T10-M14 PolarHBondContact O-N 2.88Å; T10-M14 VanDerWaalsContact O-N 3.09Å; N11-M14 WeakPolarHBondContact O-CB 3.46Å; N11-M14 PolarHBondContact O-N 2.91Å; N11-M14 VanDerWaalsContact OD1-CE 3.24Å; N11-M14 WeakPolarHBondContact OD1-CE 3.41Å; H12-M14 VanDerWaalsContact C-N 3.25Å; H12-M14 PolarHBondContact O-N 3.34Å; M14-R17 PolarHBondContact O-N 3.01Å; M14-V18 WeakPolarHBondContact O-CG2 3.05Å; M14-V18 PolarHBondContact O-N 3.08Å; M14-R37 HydrophobicContact CE-CB 4.12Å; M14-Y49 WeakPolarHBondContact CG-O 3.42Å; M14-Y49 HydrophobicContact SD-CD1 4.43Å; M14-L51 HydrophobicContact CG-CD2 4.04Å; M14-P64 HydrophobicContact CE-CB 4.06Å; M14-P64 HydrophobicContact CG-CB 4.36Å; M14-P64 HydrophobicContact CG-CG 3.92Å; M14-P64 HydrophobicContact SD-CB 3.98Å; M14-P64 HydrophobicContact SD-CG 3.78Å
15V84.4Confident74.1Confident0 Ų057.1 Ų57.10%031%0.307CS..Hα-helixtrans-64.6-39.8178.4178.50000111.4N11 H12 R17 V18 L19 E29 M32 R33N11-V15 WeakPolarHBondContact O-CG2 3.29Å; N11-V15 PolarHBondContact O-N 2.75Å; H12-V15 PolarHBondContact O-N 3.25Å; H12-V15 VanDerWaalsContact O-N 3.14Å; V15-R17 VanDerWaalsContact C-N 3.27Å; V15-R17 PolarHBondContact O-N 3.49Å; V15-V18 WeakPolarHBondContact O-CB 3.42Å; V15-V18 PolarHBondContact O-N 2.9Å; V15-L19 HydrophobicContact CG1-CD1 4.2Å; V15-L19 HydrophobicContact CG1-CG 4.38Å; V15-L19 WeakPolarHBondContact O-CG 3.03Å; V15-L19 PolarHBondContact O-N 3.48Å; V15-E29 HydrophobicContact CG1-CG 4.01Å; V15-M32 HydrophobicContact CG2-CB 4Å; V15-R33 HydrophobicContact CB-CG 3.97Å; V15-R33 HydrophobicContact CG1-CG 3.88Å; V15-R33 HydrophobicContact CG2-CG 3.95Å
16D80.1Confident76.3Confident68 Ų6855.3 Ų55.336%0.36430%0.296SS..Hα-helixtrans-54.7-45.8174.6-64-23.3000110.9H12 V18 L19 L20 R33H12-D16 PolarHBondContact O-N 3Å; D16-V18 VanDerWaalsContact C-N 3.35Å; D16-V18 PolarHBondContact O-N 3.35Å; D16-L19 PolarHBondContact O-N 3.19Å; D16-L20 PolarHBondContact O-N 3.04Å; D16-R33 IonicContact OD1-CZ 3.54Å; D16-R33 IonicContact OD1-NH1 2.8Å; D16-R33 PolarHBondContact OD1-NH1 3.44Å; D16-R33 IonicContact OD1-NH2 3.49Å; D16-R33 PolarHBondContact OD1-NH2 2.88Å
17R81Confident78.4Confident81 Ų8155.8 Ų55.831%0.30630%0.303SS..Hα-helixtrans-70.2-28.4177-66.8178.473.6-171.12.5113.8T8 A13 M14 V15 L51T8-R17 HydrophobicContact CG2-CG 4.18Å; A13-R17 WeakPolarHBondContact O-CG 3.41Å; A13-R17 PolarHBondContact O-N 3.35Å; A13-R17 VanDerWaalsContact O-N 3.16Å; M14-R17 PolarHBondContact O-N 3.01Å; V15-R17 VanDerWaalsContact C-N 3.27Å; V15-R17 PolarHBondContact O-N 3.49Å; R17-L51 HydrophobicContact CB-CD1 3.88Å; R17-L51 HydrophobicContact CB-CD2 4.27Å
18V83.4Confident80.4Confident0 Ų051.7 Ų51.70%027%0.274CS..Hα-helixtrans-64.7-45.6172.3171.30000109.7M14 V15 D16 L20 C21 T22 M24 L51 P64 R65 A68M14-V18 WeakPolarHBondContact O-CG2 3.05Å; M14-V18 PolarHBondContact O-N 3.08Å; V15-V18 WeakPolarHBondContact O-CB 3.42Å; V15-V18 PolarHBondContact O-N 2.9Å; D16-V18 VanDerWaalsContact C-N 3.35Å; D16-V18 PolarHBondContact O-N 3.35Å; V18-L20 PolarHBondContact O-N 3.2Å; V18-C21 PolarHBondContact O-N 3.46Å; V18-T22 HydrophobicContact CG1-CG2 3.61Å; V18-T22 WeakPolarHBondContact O-CG2 3.3Å; V18-T22 PolarHBondContact O-N 3.48Å; V18-T22 VanDerWaalsContact O-N 3.11Å; V18-M24 HydrophobicContact CG1-CE 3.63Å; V18-L51 HydrophobicContact CG2-CD2 3.77Å; V18-P64 HydrophobicContact CG2-CB 3.92Å; V18-P64 HydrophobicContact CG2-CG 3.94Å; V18-R65 HydrophobicContact CG2-CG 4.42Å; V18-A68 HydrophobicContact CG1-CB 3.68Å
19L80.1Confident81.8Confident54 Ų5452 Ų5228%0.28328%0.275SS..Hα-helixtrans-62.7-22.1-180-66.2167.8000113.7V15 D16 C21 M24 E29V15-L19 HydrophobicContact CG1-CD1 4.2Å; V15-L19 HydrophobicContact CG1-CG 4.38Å; V15-L19 WeakPolarHBondContact O-CG 3.03Å; V15-L19 PolarHBondContact O-N 3.48Å; D16-L19 PolarHBondContact O-N 3.19Å; L19-C21 PolarHBondContact O-N 3.02Å; L19-M24 HydrophobicContact CD2-CB 3.62Å; L19-M24 HydrophobicContact CD2-CE 4.38Å; L19-M24 HydrophobicContact CD2-CG 4.42Å; L19-M24 HydrophobicContact CD2-SD 4.1Å; L19-E29 HydrophobicContact CD1-CG 4.1Å; L19-E29 VanDerWaalsContact CD1-OE1 3.29Å; L19-E29 WeakPolarHBondContact CD1-OE1 3.43Å; L19-E29 HydrophobicContact CD2-CG 4.49Å
20L76.5Confident82.4Confident111 Ų11146.2 Ų46.258%0.58124%0.244SC*.THydrogen-bonded Turntrans-68.6-22.4172.3-62.9178.7000113.3D16 V18 I243D16-L20 PolarHBondContact O-N 3.04Å; V18-L20 PolarHBondContact O-N 3.2Å; L20-I243 HydrophobicContact CD1-CD1 3.81Å; L20-I243 HydrophobicContact CD1-CG2 4.41Å
21C72.1Confident82.7Confident44 Ų4443 Ų4330%0.29722%0.224SC..THydrogen-bonded Turntrans-115.3-11.9-173.7-60.60000113.5V18 L19V18-C21 PolarHBondContact O-N 3.46Å; L19-C21 PolarHBondContact O-N 3.02Å
22T71.6Confident82.8Confident12 Ų1242.7 Ų42.77%0.07422%0.223CC..SBendtrans-149.2143.1-177.7-167.10000112.4V18 M24 A68V18-T22 HydrophobicContact CG1-CG2 3.61Å; V18-T22 WeakPolarHBondContact O-CG2 3.3Å; V18-T22 PolarHBondContact O-N 3.48Å; V18-T22 VanDerWaalsContact O-N 3.11Å; T22-M24 HydrophobicContact CG2-CE 4.5Å; T22-A68 HydrophobicContact CG2-CB 3.67Å
23E78.7Confident83.1Confident153 Ų15339.3 Ų39.372%0.71521%0.206SC*.  trans-74.7132.2169.1-64.5177.115800109.9K72E23-K72 IonicContact OE2-NZ 3.59Å
24M83.1Confident83.5Confident30 Ų3039.6 Ų39.615%0.14821%0.207CC..  trans-132.7139.1-176.9-171.3179.8-67.500110.1V18 L19 T22 D28 E29 M32 A68V18-M24 HydrophobicContact CG1-CE 3.63Å; L19-M24 HydrophobicContact CD2-CB 3.62Å; L19-M24 HydrophobicContact CD2-CE 4.38Å; L19-M24 HydrophobicContact CD2-CG 4.42Å; L19-M24 HydrophobicContact CD2-SD 4.1Å; T22-M24 HydrophobicContact CG2-CE 4.5Å; M24-D28 HydrophobicContact CG-CB 3.63Å; M24-D28 HydrophobicContact SD-CB 4.26Å; M24-E29 HydrophobicContact CG-CB 4.28Å; M24-E29 WeakPolarHBondContact SD-CA 3.09Å; M24-E29 HydrophobicContact SD-CB 3.7Å; M24-E29 HydrophobicContact SD-CG 4.26Å; M24-E29 PolarHBondContact SD-N 3.34Å; M24-E29 VanDerWaalsContact SD-N 3.4Å; M24-M32 HydrophobicContact CE-CE 4.39Å; M24-M32 HydrophobicContact CE-SD 3.37Å; M24-M32 WeakPolarHBondContact CE-SD 3.4Å; M24-M32 HydrophobicContact SD-SD 3.93Å; M24-A68 HydrophobicContact CE-CB 3.38Å
25R87.6Confident83.6Confident77 Ų7739.6 Ų39.629%0.29121%0.207SC..  trans-66.1146.1172.7-54.1-177.3-61.4158.67.6108.8A27 D28 E29 L76R25-A27 PolarHBondContact O-N 3.14Å; R25-A27 VanDerWaalsContact O-N 3.14Å; R25-D28 HydrophobicContact CB-CB 4.42Å; R25-D28 WeakPolarHBondContact CB-OD2 3.44Å; R25-D28 WeakPolarHBondContact CG-OD2 3.47Å; R25-D28 IonicContact CZ-OD1 2.78Å; R25-D28 IonicContact CZ-OD2 3.3Å; R25-D28 IonicContact NE-OD1 2.89Å; R25-D28 PolarHBondContact NE-OD1 3.34Å; R25-D28 IonicContact NE-OD2 3.91Å; R25-D28 PolarHBondContact NE-OD2 2.95Å; R25-D28 IonicContact NH2-OD1 3.21Å; R25-D28 PolarHBondContact NH2-OD1 2.79Å; R25-D28 IonicContact NH2-OD2 3.52Å; R25-D28 WeakPolarHBondContact O-CB 3.48Å; R25-D28 PolarHBondContact O-N 3Å; R25-E29 PolarHBondContact O-N 3.43Å; R25-L76 PolarHBondContact NH1-O 3.49Å; R25-L76 PolarHBondContact NH2-O 3.1Å
26T82.7Confident83.9Confident73 Ų7342 Ų4245%0.44822%0.22SC..Hα-helixtrans-52.7-39.7177.5-49.10000112.4E29 I30T26-E29 PolarHBondContact O-N 3.37Å; T26-I30 HydrophobicContact CG2-CD1 4.07Å; T26-I30 VanDerWaalsContact O-CG1 3.3Å; T26-I30 WeakPolarHBondContact O-CG1 3.32Å; T26-I30 PolarHBondContact O-N 2.61Å
27A87.5Confident84.6Confident49 Ų4938.8 Ų38.841%0.40520%0.203SC..Hα-helixtrans-64.1-42.8177.500000112.4R25 E29 I30 A31 L99R25-A27 PolarHBondContact O-N 3.14Å; R25-A27 VanDerWaalsContact O-N 3.14Å; A27-E29 VanDerWaalsContact C-N 3.32Å; A27-E29 PolarHBondContact O-N 3.49Å; A27-I30 PolarHBondContact O-N 3.12Å; A27-A31 WeakPolarHBondContact O-CB 3.39Å; A27-A31 PolarHBondContact O-N 2.77Å; A27-L99 HydrophobicContact CB-CD2 3.95Å; A27-L99 WeakPolarHBondContact O-CD2 3.37Å
28D91.9Very high85.1Confident1 Ų138.4 Ų38.41%0.00520%0.201CC..Hα-helixtrans-65.1-39.4178.2-59.6-30.5000110.6M24 R25 A31 M32 L71 L99M24-D28 HydrophobicContact CG-CB 3.63Å; M24-D28 HydrophobicContact SD-CB 4.26Å; R25-D28 HydrophobicContact CB-CB 4.42Å; R25-D28 WeakPolarHBondContact CB-OD2 3.44Å; R25-D28 WeakPolarHBondContact CG-OD2 3.47Å; R25-D28 IonicContact CZ-OD1 2.78Å; R25-D28 IonicContact CZ-OD2 3.3Å; R25-D28 IonicContact NE-OD1 2.89Å; R25-D28 PolarHBondContact NE-OD1 3.34Å; R25-D28 IonicContact NE-OD2 3.91Å; R25-D28 PolarHBondContact NE-OD2 2.95Å; R25-D28 IonicContact NH2-OD1 3.21Å; R25-D28 PolarHBondContact NH2-OD1 2.79Å; R25-D28 IonicContact NH2-OD2 3.52Å; R25-D28 WeakPolarHBondContact O-CB 3.48Å; R25-D28 PolarHBondContact O-N 3Å; D28-A31 PolarHBondContact O-N 2.88Å; D28-M32 WeakPolarHBondContact O-CB 3.47Å; D28-M32 WeakPolarHBondContact O-CG 3.34Å; D28-M32 PolarHBondContact O-N 3.39Å; D28-L71 HydrophobicContact CB-CB 4.21Å; D28-L71 HydrophobicContact CB-CD1 4.04Å; D28-L99 WeakPolarHBondContact OD1-CD1 3.41Å
29E88.1Confident85.6Confident17 Ų1739.9 Ų39.98%0.07921%0.209CC..Hα-helixtrans-62.6-48.5175.3-172.4-171.5171.600111.8V15 L19 M24 R25 T26 A27 A31 M32 R33 S252V15-E29 HydrophobicContact CG1-CG 4.01Å; L19-E29 HydrophobicContact CD1-CG 4.1Å; L19-E29 VanDerWaalsContact CD1-OE1 3.29Å; L19-E29 WeakPolarHBondContact CD1-OE1 3.43Å; L19-E29 HydrophobicContact CD2-CG 4.49Å; M24-E29 HydrophobicContact CG-CB 4.28Å; M24-E29 WeakPolarHBondContact SD-CA 3.09Å; M24-E29 HydrophobicContact SD-CB 3.7Å; M24-E29 HydrophobicContact SD-CG 4.26Å; M24-E29 PolarHBondContact SD-N 3.34Å; M24-E29 VanDerWaalsContact SD-N 3.4Å; R25-E29 PolarHBondContact O-N 3.43Å; T26-E29 PolarHBondContact O-N 3.37Å; A27-E29 VanDerWaalsContact C-N 3.32Å; A27-E29 PolarHBondContact O-N 3.49Å; E29-A31 VanDerWaalsContact C-N 3.29Å; E29-A31 PolarHBondContact O-N 3.45Å; E29-M32 PolarHBondContact O-N 2.94Å; E29-R33 WeakPolarHBondContact O-CB 3.44Å; E29-R33 WeakPolarHBondContact O-CG 3.35Å; E29-R33 PolarHBondContact O-N 2.83Å; E29-R33 IonicContact OE1-CZ 3.36Å; E29-R33 IonicContact OE1-NE 3.62Å; E29-R33 PolarHBondContact OE1-NE 3.23Å; E29-R33 IonicContact OE1-NH2 3.6Å; E29-R33 PolarHBondContact OE1-NH2 3.38Å; E29-S252 VanDerWaalsContact CD-CB 3.44Å; E29-S252 WeakPolarHBondContact OE1-CB 3.45Å; E29-S252 PolarHBondContact OE1-OG 2.89Å; E29-S252 VanDerWaalsContact OE2-CB 3.29Å; E29-S252 WeakPolarHBondContact OE2-CB 3.33Å
30I84.8Confident86.3Confident16 Ų1637.3 Ų37.38%0.08220%0.195CC..Hα-helixtrans-54.2-50.8175-72.4163000109.2T26 A27 M32 R33 S34 I256 W259T26-I30 HydrophobicContact CG2-CD1 4.07Å; T26-I30 VanDerWaalsContact O-CG1 3.3Å; T26-I30 WeakPolarHBondContact O-CG1 3.32Å; T26-I30 PolarHBondContact O-N 2.61Å; A27-I30 PolarHBondContact O-N 3.12Å; I30-M32 PolarHBondContact O-N 3.47Å; I30-R33 PolarHBondContact O-N 2.78Å; I30-S34 WeakPolarHBondContact O-CB 3.39Å; I30-S34 PolarHBondContact O-N 2.85Å; I30-S34 PolarHBondContact O-OG 3.16Å; I30-I256 HydrophobicContact CG1-CG1 3.9Å; I30-W259 HydrophobicContact CD1-CD2 4.42Å; I30-W259 HydrophobicContact CD1-CG 4.44Å
31A90Very high87.1Confident0 Ų032.4 Ų32.40%017%0.17CC..Hα-helixtrans-61.8-44.3-17800000112.9A27 D28 E29 R33 S34 V35 I95 I98 L99A27-A31 WeakPolarHBondContact O-CB 3.39Å; A27-A31 PolarHBondContact O-N 2.77Å; D28-A31 PolarHBondContact O-N 2.88Å; E29-A31 VanDerWaalsContact C-N 3.29Å; E29-A31 PolarHBondContact O-N 3.45Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 2.86Å; A31-S34 PolarHBondContact O-N 2.82Å; A31-V35 PolarHBondContact O-N 3.09Å; A31-I95 HydrophobicContact CB-CG2 3.81Å; A31-I98 HydrophobicContact CB-CB 4Å; A31-I98 HydrophobicContact CB-CD1 4.31Å; A31-I98 HydrophobicContact CB-CG2 3.93Å; A31-L99 HydrophobicContact CB-CD1 4.12Å; A31-L99 HydrophobicContact CB-CD2 3.77Å; A31-L99 HydrophobicContact CB-CG 3.69Å
32M89.2Confident88.1Confident0 Ų030.8 Ų30.80%016%0.159CC..Hα-helixtrans-65.5-34.6177.2-74.3-170.468.200112.8N11 V15 M24 D28 E29 I30 P64 A68 L71 I95N11-M32 PolarHBondContact ND2-O 2.78Å; V15-M32 HydrophobicContact CG2-CB 4Å; M24-M32 HydrophobicContact CE-CE 4.39Å; M24-M32 HydrophobicContact CE-SD 3.37Å; M24-M32 WeakPolarHBondContact CE-SD 3.4Å; M24-M32 HydrophobicContact SD-SD 3.93Å; D28-M32 WeakPolarHBondContact O-CB 3.47Å; D28-M32 WeakPolarHBondContact O-CG 3.34Å; D28-M32 PolarHBondContact O-N 3.39Å; E29-M32 PolarHBondContact O-N 2.94Å; I30-M32 PolarHBondContact O-N 3.47Å; M32-P64 HydrophobicContact CE-CB 3.96Å; M32-P64 WeakPolarHBondContact CE-O 3.26Å; M32-A68 HydrophobicContact SD-CB 4.22Å; M32-L71 HydrophobicContact CG-CD1 3.94Å; M32-L71 HydrophobicContact SD-CD1 4.03Å; M32-I95 HydrophobicContact CG-CD1 4.19Å; M32-I95 HydrophobicContact CG-CG2 4.25Å
33R86.9Confident89Confident14 Ų1438.2 Ų38.25%0.05319%0.193CC..Hα-helixtrans-73.4-35175.7-73.8-178.3-173.3-76.9-9.5112.6N11 H12 V15 D16 E29 I30 A31 S252N11-R33 PolarHBondContact ND2-O 2.46Å; H12-R33 PolarHBondContact O-NH1 3.32Å; V15-R33 HydrophobicContact CB-CG 3.97Å; V15-R33 HydrophobicContact CG1-CG 3.88Å; V15-R33 HydrophobicContact CG2-CG 3.95Å; D16-R33 IonicContact OD1-CZ 3.54Å; D16-R33 IonicContact OD1-NH1 2.8Å; D16-R33 PolarHBondContact OD1-NH1 3.44Å; D16-R33 IonicContact OD1-NH2 3.49Å; D16-R33 PolarHBondContact OD1-NH2 2.88Å; E29-R33 WeakPolarHBondContact O-CB 3.44Å; E29-R33 WeakPolarHBondContact O-CG 3.35Å; E29-R33 PolarHBondContact O-N 2.83Å; E29-R33 IonicContact OE1-CZ 3.36Å; E29-R33 IonicContact OE1-NE 3.62Å; E29-R33 PolarHBondContact OE1-NE 3.23Å; E29-R33 IonicContact OE1-NH2 3.6Å; E29-R33 PolarHBondContact OE1-NH2 3.38Å; I30-R33 PolarHBondContact O-N 2.78Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 2.86Å; R33-S252 PolarHBondContact NH2-OG 3.17Å
34S85.7Confident89.5Confident32 Ų3235.6 Ų35.622%0.22418%0.181CC..Hα-helixtrans-72.4-28.6-178.2-67.10000113.6I30 A31 I98 F133I30-S34 WeakPolarHBondContact O-CB 3.39Å; I30-S34 PolarHBondContact O-N 2.85Å; I30-S34 PolarHBondContact O-OG 3.16Å; A31-S34 PolarHBondContact O-N 2.82Å; S34-I98 VanDerWaalsContact CB-CD1 3.45Å; S34-F133 WeakPolarHBondContact O-CZ 3.46Å
35V90.4Very high89.8Confident0 Ų034.8 Ų34.80%018%0.178CC..SBendtrans-98.5104.2176.9-172.80000109.6N11 A31 R37 F40 Y91 C94 I95 I98 M126 F133N11-V35 PolarHBondContact ND2-O 3Å; A31-V35 PolarHBondContact O-N 3.09Å; V35-R37 PolarHBondContact O-N 3.44Å; V35-F40 HydrophobicContact CG1-CD2 4.2Å; V35-F40 HydrophobicContact CG1-CE2 3.34Å; V35-F40 HydrophobicContact CG1-CZ 3.86Å; V35-Y91 HydrophobicContact CB-CE2 4.18Å; V35-Y91 HydrophobicContact CG1-CD2 3.68Å; V35-Y91 HydrophobicContact CG1-CE2 3.7Å; V35-Y91 WeakPolarHBondContact O-CE2 3.37Å; V35-C94 HydrophobicContact CG1-CB 3.84Å; V35-C94 HydrophobicContact CG2-CB 4.06Å; V35-I95 HydrophobicContact CB-CG1 3.82Å; V35-I95 HydrophobicContact CG1-CG1 4.3Å; V35-I95 HydrophobicContact CG2-CG1 3.84Å; V35-I98 HydrophobicContact CG2-CD1 3.52Å; V35-I98 HydrophobicContact CG2-CG1 4.44Å; V35-M126 HydrophobicContact CG1-SD 4.08Å; V35-F133 HydrophobicContact CG2-CE1 4.29Å
36D90.6Very high89.8Confident50 Ų5036.6 Ų36.627%0.26720%0.197SC..  trans-69.1115.8176.7-169.5-25000110.8N11 R38 L39 F40 Y49N11-D36 HydrophobicContact CB-CB 4.49Å; D36-R38 PolarHBondContact O-N 3.23Å; D36-R38 VanDerWaalsContact OD1-CB 3.27Å; D36-R38 WeakPolarHBondContact OD1-CB 3.47Å; D36-R38 PolarHBondContact OD1-N 3.24Å; D36-L39 HydrophobicContact CB-CD1 4.07Å; D36-L39 HydrophobicContact CB-CG 4.13Å; D36-L39 WeakPolarHBondContact O-CB 3.08Å; D36-L39 PolarHBondContact O-N 2.89Å; D36-F40 WeakPolarHBondContact O-CD2 3.18Å; D36-Y49 VanDerWaalsContact OD1-CE1 3.31Å; D36-Y49 WeakPolarHBondContact OD1-CE1 3.04Å; D36-Y49 PolarHBondContact OD1-OH 3.31Å; D36-Y49 PolarHBondContact OD2-OH 2.9Å
37R94Very high90.2Very high0 Ų038 Ų380%020%0.199CC..G310 helixtrans-58-28.1179.5-166.9171.8179.4-151.82.4113.3N11 M14 V35 L39 F40 P48 S50 D52 I61 S62 Y91N11-R37 PolarHBondContact OD1-N 3.36Å; M14-R37 HydrophobicContact CE-CB 4.12Å; V35-R37 PolarHBondContact O-N 3.44Å; R37-L39 VanDerWaalsContact C-N 3.28Å; R37-L39 PolarHBondContact O-N 3.4Å; R37-F40 PolarHBondContact O-N 2.72Å; R37-P48 WeakPolarHBondContact CD-O 3.23Å; R37-S50 PolarHBondContact NH1-O 3.49Å; R37-D52 PolarHBondContact NH2-O 2.92Å; R37-I61 PolarHBondContact NH2-O 3.43Å; R37-S62 PolarHBondContact NH2-O 3.32Å; R37-Y91 VanDerWaalsContact CA-CE2 3.46Å; R37-Y91 HydrophobicContact CB-CD2 4.39Å; R37-Y91 HydrophobicContact CB-CE1 4.41Å; R37-Y91 HydrophobicContact CB-CE2 3.72Å; R37-Y91 HydrophobicContact CG-CD1 4.34Å; R37-Y91 HydrophobicContact CG-CD2 4.38Å; R37-Y91 HydrophobicContact CG-CE1 3.97Å; R37-Y91 HydrophobicContact CG-CE2 4.02Å
38R92.6Very high90.3Very high74 Ų7436.6 Ų36.628%0.27919%0.185SC..G310 helixtrans-60.5-36178.5174.457176.7146.4-17.9112.6D36 F40 L41 P42 E43 P48 Y49D36-R38 PolarHBondContact O-N 3.23Å; D36-R38 VanDerWaalsContact OD1-CB 3.27Å; D36-R38 WeakPolarHBondContact OD1-CB 3.47Å; D36-R38 PolarHBondContact OD1-N 3.24Å; R38-F40 PolarHBondContact O-N 2.68Å; R38-F40 VanDerWaalsContact O-N 3.1Å; R38-L41 PolarHBondContact NH1-O 3.1Å; R38-L41 PolarHBondContact O-N 2.91Å; R38-P42 PolarHBondContact NH1-O 2.93Å; R38-E43 VanDerWaalsContact NH2-CA 3.34Å; R38-E43 PolarHBondContact NH2-O 2.86Å; R38-P48 HydrophobicContact CB-CB 4.35Å; R38-Y49 HydrophobicContact CB-CE1 4.12Å; R38-Y49 WeakPolarHBondContact CB-OH 3.23Å
39L92.8Very high90.2Very high30 Ų3038 Ų3816%0.15719%0.191CC..G310 helixtrans-65-15-177.6-62.5175.8000113.3D36 R37 C122 M126D36-L39 HydrophobicContact CB-CD1 4.07Å; D36-L39 HydrophobicContact CB-CG 4.13Å; D36-L39 WeakPolarHBondContact O-CB 3.08Å; D36-L39 PolarHBondContact O-N 2.89Å; R37-L39 VanDerWaalsContact C-N 3.28Å; R37-L39 PolarHBondContact O-N 3.4Å; L39-C122 PolarHBondContact O-SG 2.95Å; L39-M126 HydrophobicContact CD1-CB 4.1Å; L39-M126 HydrophobicContact CD1-CG 3.99Å
40F95.3Very high90.4Very high0 Ų037.9 Ų37.90%019%0.192CC..G310 helixtrans-106.88-176.9-64.1-90.6000113.1V35 D36 R37 R38 I61 S89 Y91 C94 Y118 C122 V123 M126V35-F40 HydrophobicContact CG1-CD2 4.2Å; V35-F40 HydrophobicContact CG1-CE2 3.34Å; V35-F40 HydrophobicContact CG1-CZ 3.86Å; D36-F40 WeakPolarHBondContact O-CD2 3.18Å; R37-F40 PolarHBondContact O-N 2.72Å; R38-F40 PolarHBondContact O-N 2.68Å; R38-F40 VanDerWaalsContact O-N 3.1Å; F40-I61 HydrophobicContact CB-CD1 4.03Å; F40-I61 WeakPolarHBondContact O-CD1 3.36Å; F40-S89 WeakPolarHBondContact CD1-O 3.45Å; F40-S89 WeakPolarHBondContact O-CB 3.37Å; F40-Y91 HydrophobicContact CB-CD2 4.47Å; F40-Y91 HydrophobicContact CB-CG 4.48Å; F40-Y91 AromaticContact CD2-CD2 3.56Å; F40-Y91 HydrophobicContact CD2-CD2 3.56Å; F40-Y91 HydrophobicContact CD2-CE2 4.49Å; F40-Y91 HydrophobicContact CD2-CG 4.29Å; F40-Y91 AromaticContact CE2-CD2 3.98Å; F40-Y91 HydrophobicContact CE2-CD2 3.98Å; F40-Y91 HydrophobicContact CG-CD2 4.04Å; F40-Y91 HydrophobicContact CG-CG 4.31Å; F40-C94 HydrophobicContact CE1-CB 4.38Å; F40-C94 HydrophobicContact CZ-CB 3.82Å; F40-C94 VanDerWaalsContact CZ-SG 3.58Å; F40-Y118 PolarHBondContact O-OH 3.46Å; F40-C122 HydrophobicContact CD1-CB 3.7Å; F40-C122 HydrophobicContact CE1-CB 3.95Å; F40-C122 HydrophobicContact CG-CB 4.43Å; F40-V123 HydrophobicContact CE1-CG2 4.44Å; F40-M126 HydrophobicContact CE2-SD 3.96Å; F40-M126 HydrophobicContact CZ-SD 3.63Å
41L94.6Very high90.5Very high8 Ų837.5 Ų37.54%0.04219%0.19CC..SBendtrans-121.1140179.2-72.3169.4000110.2R38 C45 P48 V54 M59 I61 Y118R38-L41 PolarHBondContact NH1-O 3.1Å; R38-L41 PolarHBondContact O-N 2.91Å; L41-C45 HydrophobicContact CB-CB 3.94Å; L41-P48 HydrophobicContact CD1-CB 3.61Å; L41-V54 HydrophobicContact CD1-CG1 4.02Å; L41-V54 HydrophobicContact CD2-CB 4.47Å; L41-V54 HydrophobicContact CD2-CG1 3.88Å; L41-M59 HydrophobicContact CD2-CE 4.35Å; L41-I61 HydrophobicContact CD1-CD1 4.5Å; L41-I61 HydrophobicContact CD2-CD1 3.41Å; L41-I61 VanDerWaalsContact CD2-CD1 3.41Å; L41-I61 HydrophobicContact CD2-CG1 3.9Å; L41-I61 HydrophobicContact CG-CD1 3.68Å; L41-Y118 WeakPolarHBondContact CA-OH 3.18Å; L41-Y118 PolarHBondContact N-OH 3.11Å
42P92.5Very high90.4Very high11 Ų1141.7 Ų41.77%0.07121%0.212CC..  trans-55.8153.3172.9-25.135000112R38 E44 C45 R57 Y118R38-P42 PolarHBondContact NH1-O 2.93Å; P42-E44 HydrophobicContact CB-CG 4.33Å; P42-E44 WeakPolarHBondContact CB-OE2 3.17Å; P42-E44 PolarHBondContact O-N 2.88Å; P42-C45 WeakPolarHBondContact O-CB 3.2Å; P42-C45 PolarHBondContact O-N 3.34Å; P42-R57 HydrophobicContact CG-CG 4.32Å; P42-Y118 VanDerWaalsContact CD-OH 3.29Å; P42-Y118 WeakPolarHBondContact CD-OH 3.17Å; P42-Y118 VanDerWaalsContact N-OH 3.11Å
43E89.8Confident90.3Very high167 Ų16744.9 Ų44.978%0.7823%0.233SC*.THydrogen-bonded Turntrans-58.8-35.8-173.7-74.9-171.7170.900113.4R38 C45R38-E43 VanDerWaalsContact NH2-CA 3.34Å; R38-E43 PolarHBondContact NH2-O 2.86Å; E43-C45 PolarHBondContact O-N 3.01Å
44E89.9Confident90.4Very high99 Ų9944.8 Ų44.846%0.46323%0.234SC..THydrogen-bonded Turntrans-70.9-8.5178.364.6-100.4-119.700114.6P42 V46 R57P42-E44 HydrophobicContact CB-CG 4.33Å; P42-E44 WeakPolarHBondContact CB-OE2 3.17Å; P42-E44 PolarHBondContact O-N 2.88Å; E44-V46 PolarHBondContact O-N 2.8Å; E44-R57 VanDerWaalsContact CD-NH2 3.31Å; E44-R57 IonicContact OE1-CZ 3.78Å; E44-R57 IonicContact OE1-NE 3.69Å; E44-R57 PolarHBondContact OE1-NE 3.45Å; E44-R57 IonicContact OE1-NH2 3.21Å; E44-R57 PolarHBondContact OE1-NH2 3.37Å; E44-R57 IonicContact OE2-CZ 2.64Å; E44-R57 IonicContact OE2-NE 2.67Å; E44-R57 IonicContact OE2-NH2 2.76Å; E44-R57 PolarHBondContact OE2-NH2 2.89Å
45C89.7Confident90.5Very high12 Ų1248.1 Ų48.18%0.08125%0.253CS..  trans-67.8118.9-177.7-163.60000110.5L41 P42 E43 V54 C56L41-C45 HydrophobicContact CB-CB 3.94Å; P42-C45 WeakPolarHBondContact O-CB 3.2Å; P42-C45 PolarHBondContact O-N 3.34Å; E43-C45 PolarHBondContact O-N 3.01Å; C45-V54 WeakPolarHBondContact SG-CG1 3.31Å; C45-C56 HydrophobicContact CB-CB 4.06Å; C45-C56 VanDerWaalsContact SG-CB 3.57Å
46V87.3Confident90.4Very high116 Ų11648.8 Ų48.870%0.70326%0.257SS*.SBendtrans-77146.7175.9-62.10000110.7E44E44-V46 PolarHBondContact O-N 2.8Å
47E89.8Confident90.1Very high102 Ų10255.3 Ų55.348%0.47728%0.279SS..  trans51.456.6174.1-52.8-167.4137.700115.1S6 Y49 S50S6-E47 WeakPolarHBondContact CB-OE1 3.44Å; E47-Y49 PolarHBondContact O-N 3.41Å; E47-S50 WeakPolarHBondContact O-CB 3.17Å; E47-S50 PolarHBondContact O-N 3.21Å
48P90.7Very high89.4Confident20 Ų2058 Ų5813%0.1331%0.307CS..THydrogen-bonded Turntrans-58.1-22.1-177.127.3-38.5000114.1R37 R38 L41R37-P48 WeakPolarHBondContact CD-O 3.23Å; R38-P48 HydrophobicContact CB-CB 4.35Å; L41-P48 HydrophobicContact CD1-CB 3.61Å
49Y90.5Very high89.1Confident30 Ų3054.9 Ų54.912%0.11830%0.295CS..THydrogen-bonded Turntrans-101.69-178.2-54.5-55.2000113.4T8 L9 N11 M14 D36 R38 E47T8-Y49 WeakPolarHBondContact O-CB 3.3Å; T8-Y49 WeakPolarHBondContact O-CD2 3.47Å; T8-Y49 PolarHBondContact OG1-O 2.87Å; T8-Y49 VanDerWaalsContact OG1-O 3.09Å; L9-Y49 VanDerWaalsContact C-CD2 3.49Å; L9-Y49 WeakPolarHBondContact O-CE2 3.01Å; N11-Y49 HydrophobicContact CB-CD1 4.39Å; N11-Y49 HydrophobicContact CB-CE1 3.92Å; M14-Y49 WeakPolarHBondContact CG-O 3.42Å; M14-Y49 HydrophobicContact SD-CD1 4.43Å; D36-Y49 VanDerWaalsContact OD1-CE1 3.31Å; D36-Y49 WeakPolarHBondContact OD1-CE1 3.04Å; D36-Y49 PolarHBondContact OD1-OH 3.31Å; D36-Y49 PolarHBondContact OD2-OH 2.9Å; R38-Y49 HydrophobicContact CB-CE1 4.12Å; R38-Y49 WeakPolarHBondContact CB-OH 3.23Å; E47-Y49 PolarHBondContact O-N 3.41Å
50S90.3Very high88.8Confident14 Ų1457.2 Ų57.210%0.09831%0.31CS..  trans-56.5141.4175179.30000110.9R37 E47 D52R37-S50 PolarHBondContact NH1-O 3.49Å; E47-S50 WeakPolarHBondContact O-CB 3.17Å; E47-S50 PolarHBondContact O-N 3.21Å; S50-D52 PolarHBondContact O-N 3.22Å; S50-D52 PolarHBondContact OG-N 3.14Å
51L88.4Confident88.7Confident8 Ų857.3 Ų57.34%0.04231%0.311CS..SBendtrans-74.7-8.2174.5-64.1178.4000112.7M14 R17 V18 S63 P64 R65M14-L51 HydrophobicContact CG-CD2 4.04Å; R17-L51 HydrophobicContact CB-CD1 3.88Å; R17-L51 HydrophobicContact CB-CD2 4.27Å; V18-L51 HydrophobicContact CG2-CD2 3.77Å; L51-S63 VanDerWaalsContact O-CB 3.22Å; L51-S63 WeakPolarHBondContact O-CB 3.24Å; L51-S63 PolarHBondContact O-OG 3.45Å; L51-P64 HydrophobicContact CD2-CG 3.79Å; L51-R65 VanDerWaalsContact CD1-NH2 3.28Å
52D87.3Confident88.5Confident88 Ų8858.1 Ų58.147%0.47132%0.317SS..SBendtrans-87164174.2-61.1-40.9000110.9R37 S50 V54R37-D52 PolarHBondContact NH2-O 2.92Å; S50-D52 PolarHBondContact O-N 3.22Å; S50-D52 PolarHBondContact OG-N 3.14Å; D52-V54 PolarHBondContact O-N 2.07Å
53P87.2Confident88.3Confident68 Ų6857.6 Ų57.644%0.44231%0.314SS..  trans-59135.9168.8-22.234.2000110.7V60 I61P53-V60 HydrophobicContact CB-CG1 4.23Å; P53-I61 CarbonylContact C-O 3.6Å; P53-I61 WeakPolarHBondContact CA-O 3.32Å
54V89.4Confident88.4Confident12 Ų1249.6 Ų49.67%0.07328%0.276CS..EExtended strand (participates in β ladder)trans-104.6122.8179.81770000108.5L41 C45 D52 V60 I61L41-V54 HydrophobicContact CD1-CG1 4.02Å; L41-V54 HydrophobicContact CD2-CB 4.47Å; L41-V54 HydrophobicContact CD2-CG1 3.88Å; C45-V54 WeakPolarHBondContact SG-CG1 3.31Å; D52-V54 PolarHBondContact O-N 2.07Å; V54-V60 WeakPolarHBondContact O-CA 3.43Å; V54-I61 PolarHBondContact N-O 3.19Å; V54-I61 PolarHBondContact O-N 3.05Å
55T87.8Confident88.3Confident101 Ų10146.2 Ų46.262%0.6226%0.259SS*.EExtended strand (participates in β ladder)trans-108.2123.5176.8-580000109.8M59 V60T55-M59 CarbonylContact C-O 3.25Å; T55-M59 WeakPolarHBondContact CA-O 3.14Å; T55-V60 HydrophobicContact CG2-CG2 4.16Å
56C87.2Confident88.2Confident14 Ų1446.2 Ų46.210%0.09526%0.259CS..EExtended strand (participates in β ladder)trans-148.5134.2178.4-173.40000110.4C45 G58 M59C45-C56 HydrophobicContact CB-CB 4.06Å; C45-C56 VanDerWaalsContact SG-CB 3.57Å; C56-G58 PolarHBondContact O-N 3.03Å; C56-G58 VanDerWaalsContact O-N 3.13Å; C56-M59 PolarHBondContact N-O 2.84Å; C56-M59 WeakPolarHBondContact O-CB 2.96Å; C56-M59 PolarHBondContact O-N 2.81Å
57R84.9Confident88.5Confident188 Ų18841.5 Ų41.571%0.70923%0.228SC*.THydrogen-bonded Turntrans47.937.9-176.6-62.6-171.8177.5-179.24.9114.5P42 E44 M59P42-R57 HydrophobicContact CG-CG 4.32Å; E44-R57 VanDerWaalsContact CD-NH2 3.31Å; E44-R57 IonicContact OE1-CZ 3.78Å; E44-R57 IonicContact OE1-NE 3.69Å; E44-R57 PolarHBondContact OE1-NE 3.45Å; E44-R57 IonicContact OE1-NH2 3.21Å; E44-R57 PolarHBondContact OE1-NH2 3.37Å; E44-R57 IonicContact OE2-CZ 2.64Å; E44-R57 IonicContact OE2-NE 2.67Å; E44-R57 IonicContact OE2-NH2 2.76Å; E44-R57 PolarHBondContact OE2-NH2 2.89Å; R57-M59 PolarHBondContact O-N 3.25Å
58G79.6Confident88.6Confident57 Ų5736.7 Ų36.759%0.58821%0.206SC*.THydrogen-bonded Turntrans70.97.6-179.200000115.3C56C56-G58 PolarHBondContact O-N 3.03Å; C56-G58 VanDerWaalsContact O-N 3.13Å
59M86.5Confident88.5Confident7 Ų736.1 Ų36.13%0.03420%0.201CC..EExtended strand (participates in β ladder)trans-96.8146.7166.9-174.9178.56500109.3L41 T55 C56 R57 I61 S89 L115 Y118L41-M59 HydrophobicContact CD2-CE 4.35Å; T55-M59 CarbonylContact C-O 3.25Å; T55-M59 WeakPolarHBondContact CA-O 3.14Å; C56-M59 PolarHBondContact N-O 2.84Å; C56-M59 WeakPolarHBondContact O-CB 2.96Å; C56-M59 PolarHBondContact O-N 2.81Å; R57-M59 PolarHBondContact O-N 3.25Å; M59-I61 HydrophobicContact CE-CD1 4.49Å; M59-I61 HydrophobicContact CE-CG1 4.42Å; M59-S89 WeakPolarHBondContact SD-CB 3.34Å; M59-L115 HydrophobicContact CB-CD2 3.94Å; M59-L115 HydrophobicContact CG-CD1 4.37Å; M59-L115 HydrophobicContact CG-CD2 3.89Å; M59-L115 HydrophobicContact SD-CD2 3.74Å; M59-Y118 HydrophobicContact CE-CD1 4.31Å; M59-Y118 HydrophobicContact CE-CE1 3.64Å; M59-Y118 HydrophobicContact SD-CD1 3.93Å; M59-Y118 HydrophobicContact SD-CE1 3.86Å
60V86.8Confident88.7Confident80 Ų8034.7 Ų34.749%0.48520%0.196SC..EExtended strand (participates in β ladder)trans-121.2128.9173.8-176.90000108.7P53 V54 T55P53-V60 HydrophobicContact CB-CG1 4.23Å; V54-V60 WeakPolarHBondContact O-CA 3.43Å; T55-V60 HydrophobicContact CG2-CG2 4.16Å
61I92.1Very high88.9Confident1 Ų134 Ų341%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-103.1118.1163.5-60.2-170.8000107.6R37 F40 L41 P53 V54 M59 Y67 S89 Y91R37-I61 PolarHBondContact NH2-O 3.43Å; F40-I61 HydrophobicContact CB-CD1 4.03Å; F40-I61 WeakPolarHBondContact O-CD1 3.36Å; L41-I61 HydrophobicContact CD1-CD1 4.5Å; L41-I61 HydrophobicContact CD2-CD1 3.41Å; L41-I61 VanDerWaalsContact CD2-CD1 3.41Å; L41-I61 HydrophobicContact CD2-CG1 3.9Å; L41-I61 HydrophobicContact CG-CD1 3.68Å; P53-I61 CarbonylContact C-O 3.6Å; P53-I61 WeakPolarHBondContact CA-O 3.32Å; V54-I61 PolarHBondContact N-O 3.19Å; V54-I61 PolarHBondContact O-N 3.05Å; M59-I61 HydrophobicContact CE-CD1 4.49Å; M59-I61 HydrophobicContact CE-CG1 4.42Å; I61-Y67 HydrophobicContact CG2-CE2 4.06Å; I61-S89 VanDerWaalsContact CD1-OG 3.29Å; I61-S89 WeakPolarHBondContact CD1-OG 3.45Å; I61-Y91 HydrophobicContact CG2-CD1 3.99Å
62S90.2Very high89Confident25 Ų2537.2 Ų37.218%0.17521%0.205CC..PPolyproline II helixtrans-55.7159.4178.4-61.10000112.7R37R37-S62 PolarHBondContact NH2-O 3.32Å
63S89.7Confident89.3Confident0 Ų034.7 Ų34.70%019%0.19CC..PPolyproline II helixtrans-52.8139.6173.1170.20000111L51 R65 I66 Y67L51-S63 VanDerWaalsContact O-CB 3.22Å; L51-S63 WeakPolarHBondContact O-CB 3.24Å; L51-S63 PolarHBondContact O-OG 3.45Å; S63-R65 PolarHBondContact O-N 3.14Å; S63-R65 VanDerWaalsContact OG-CB 3.29Å; S63-R65 WeakPolarHBondContact OG-CB 3.31Å; S63-R65 PolarHBondContact OG-N 3.25Å; S63-R65 VanDerWaalsContact OG-N 3.12Å; S63-I66 WeakPolarHBondContact O-CB 3.48Å; S63-I66 PolarHBondContact O-N 2.9Å; S63-Y67 PolarHBondContact O-N 2.94Å
64P91.9Very high89.6Confident0 Ų031.5 Ų31.50%017%0.169CC..Hα-helixtrans-63.5-23.3174.429.8-35.9000111.4M14 V18 M32 L51 Y67 A68M14-P64 HydrophobicContact CE-CB 4.06Å; M14-P64 HydrophobicContact CG-CB 4.36Å; M14-P64 HydrophobicContact CG-CG 3.92Å; M14-P64 HydrophobicContact SD-CB 3.98Å; M14-P64 HydrophobicContact SD-CG 3.78Å; V18-P64 HydrophobicContact CG2-CB 3.92Å; V18-P64 HydrophobicContact CG2-CG 3.94Å; M32-P64 HydrophobicContact CE-CB 3.96Å; M32-P64 WeakPolarHBondContact CE-O 3.26Å; L51-P64 HydrophobicContact CD2-CG 3.79Å; P64-Y67 PolarHBondContact O-N 3.36Å; P64-A68 PolarHBondContact O-N 3.04Å
65R87.8Confident89.9Confident27 Ų2735.7 Ų35.710%0.10219%0.188CC..Hα-helixtrans-64.5-39.3171.7-60.2-174.6-159.4133.62.4112.2V18 L51 S63 E69 V230 M234V18-R65 HydrophobicContact CG2-CG 4.42Å; L51-R65 VanDerWaalsContact CD1-NH2 3.28Å; S63-R65 PolarHBondContact O-N 3.14Å; S63-R65 VanDerWaalsContact OG-CB 3.29Å; S63-R65 WeakPolarHBondContact OG-CB 3.31Å; S63-R65 PolarHBondContact OG-N 3.25Å; S63-R65 VanDerWaalsContact OG-N 3.12Å; R65-E69 PolarHBondContact O-N 3.43Å; R65-V230 HydrophobicContact CB-CG1 3.63Å; R65-V230 HydrophobicContact CG-CG1 4.12Å; R65-M234 HydrophobicContact CB-CE 3.93Å
66I87.4Confident90.3Very high13 Ų1331 Ų317%0.06716%0.159CC..Hα-helixtrans-63.3-46174.8-67.7169.4000109.4S63 A68 E69 V70 F208 F231 M234S63-I66 WeakPolarHBondContact O-CB 3.48Å; S63-I66 PolarHBondContact O-N 2.9Å; I66-A68 PolarHBondContact O-N 3.34Å; I66-E69 PolarHBondContact O-N 3.04Å; I66-V70 HydrophobicContact CG2-CG2 4.16Å; I66-V70 VanDerWaalsContact O-CG2 3.26Å; I66-V70 WeakPolarHBondContact O-CG2 3.46Å; I66-V70 PolarHBondContact O-N 3.47Å; I66-F208 HydrophobicContact CD1-CZ 4.21Å; I66-F231 HydrophobicContact CD1-CE1 4.2Å; I66-F231 HydrophobicContact CG1-CE1 3.59Å; I66-F231 HydrophobicContact CG1-CZ 3.87Å; I66-M234 HydrophobicContact CG1-CE 4.21Å; I66-M234 HydrophobicContact CG1-SD 4.43Å
67Y93.5Very high90.6Very high17 Ų1735.6 Ų35.67%0.06718%0.179CC..Hα-helixtrans-63.6-42179.7-66-42.7000112.9I61 S63 P64 E69 V70 L71 Y91 F92 Y164I61-Y67 HydrophobicContact CG2-CE2 4.06Å; S63-Y67 PolarHBondContact O-N 2.94Å; P64-Y67 PolarHBondContact O-N 3.36Å; Y67-E69 VanDerWaalsContact C-N 3.26Å; Y67-E69 PolarHBondContact O-N 3.01Å; Y67-V70 PolarHBondContact O-N 2.93Å; Y67-L71 WeakPolarHBondContact O-CB 3.5Å; Y67-L71 VanDerWaalsContact O-CG 3.24Å; Y67-L71 WeakPolarHBondContact O-CG 3.45Å; Y67-L71 PolarHBondContact O-N 3.29Å; Y67-Y91 HydrophobicContact CD2-CD1 4.04Å; Y67-Y91 AromaticContact CD2-CE1 3.75Å; Y67-Y91 HydrophobicContact CD2-CE1 3.75Å; Y67-Y91 AromaticContact CE2-CD1 3.53Å; Y67-Y91 HydrophobicContact CE2-CD1 3.53Å; Y67-Y91 AromaticContact CE2-CE1 3.69Å; Y67-Y91 HydrophobicContact CE2-CE1 3.69Å; Y67-F92 HydrophobicContact CD1-CB 4.05Å; Y67-F92 HydrophobicContact CD1-CD1 4.48Å; Y67-F92 AromaticContact CD1-CD2 3.2Å; Y67-F92 HydrophobicContact CD1-CD2 3.2Å; Y67-F92 AromaticContact CD1-CE2 3.7Å; Y67-F92 HydrophobicContact CD1-CE2 3.7Å; Y67-F92 AromaticContact CD1-CG 3.67Å; Y67-F92 HydrophobicContact CD1-CG 3.67Å; Y67-F92 HydrophobicContact CD2-CD2 4.36Å; Y67-F92 HydrophobicContact CE1-CB 3.64Å; Y67-F92 HydrophobicContact CE1-CD1 4.5Å; Y67-F92 AromaticContact CE1-CD2 3.74Å; Y67-F92 HydrophobicContact CE1-CD2 3.74Å; Y67-F92 AromaticContact CE1-CG 3.7Å; Y67-F92 HydrophobicContact CE1-CG 3.7Å; Y67-F92 AromaticContact CG-CD2 3.57Å; Y67-F92 HydrophobicContact CG-CD2 3.57Å; Y67-F92 HydrophobicContact CG-CE2 4.05Å; Y67-F92 HydrophobicContact CG-CG 4.37Å; Y67-Y164 HydrophobicContact CE1-CE1 4.26Å
68A91.8Very high91Very high1 Ų130.2 Ų30.21%0.00817%0.169CC..Hα-helixtrans-54.3-45.4173.700000112.1V18 T22 M24 M32 P64 I66 L71 K72V18-A68 HydrophobicContact CG1-CB 3.68Å; T22-A68 HydrophobicContact CG2-CB 3.67Å; M24-A68 HydrophobicContact CE-CB 3.38Å; M32-A68 HydrophobicContact SD-CB 4.22Å; P64-A68 PolarHBondContact O-N 3.04Å; I66-A68 PolarHBondContact O-N 3.34Å; A68-L71 PolarHBondContact O-N 3.35Å; A68-K72 PolarHBondContact O-N 3.29Å
69E89.2Confident91.5Very high7 Ų728.8 Ų28.83%0.03315%0.154CC..Hα-helixtrans-70.3-36.8180-166.264.3-160.500113.1R65 I66 Y67 K72 H73 L210 P228 V230R65-E69 PolarHBondContact O-N 3.43Å; I66-E69 PolarHBondContact O-N 3.04Å; Y67-E69 VanDerWaalsContact C-N 3.26Å; Y67-E69 PolarHBondContact O-N 3.01Å; E69-K72 PolarHBondContact O-N 3.47Å; E69-H73 PolarHBondContact O-N 3.42Å; E69-H73 PolarHBondContact O-ND1 3.46Å; E69-H73 IonicContact OE1-CE1 3.17Å; E69-H73 PolarHBondContact OE1-CE1 2.82Å; E69-H73 IonicContact OE1-ND1 3.76Å; E69-L210 HydrophobicContact CB-CD1 4.18Å; E69-L210 HydrophobicContact CG-CD1 3.55Å; E69-P228 HydrophobicContact CG-CB 3.46Å; E69-P228 VanDerWaalsContact CG-CB 3.46Å; E69-P228 HydrophobicContact CG-CG 3.34Å; E69-P228 WeakPolarHBondContact OE1-CB 3.34Å; E69-P228 WeakPolarHBondContact OE1-CG 3.2Å; E69-V230 WeakPolarHBondContact OE2-CG2 3.4Å
70V93Very high92Very high0 Ų029.1 Ų29.10%016%0.156CC..Hα-helixtrans-63.8-45173.3170.10000110.2I66 Y67 K72 H73 L74 F92 Y164 V188 L210I66-V70 HydrophobicContact CG2-CG2 4.16Å; I66-V70 VanDerWaalsContact O-CG2 3.26Å; I66-V70 WeakPolarHBondContact O-CG2 3.46Å; I66-V70 PolarHBondContact O-N 3.47Å; Y67-V70 PolarHBondContact O-N 2.93Å; V70-K72 VanDerWaalsContact C-N 3.34Å; V70-K72 PolarHBondContact O-N 2.84Å; V70-H73 PolarHBondContact O-N 2.86Å; V70-H73 VanDerWaalsContact O-N 3.16Å; V70-L74 HydrophobicContact CG1-CD1 3.61Å; V70-L74 HydrophobicContact CG1-CG 4.05Å; V70-L74 WeakPolarHBondContact O-CG 3.02Å; V70-L74 PolarHBondContact O-N 3.16Å; V70-F92 HydrophobicContact CB-CZ 4.3Å; V70-F92 HydrophobicContact CG1-CE1 4.03Å; V70-F92 HydrophobicContact CG1-CE2 4.43Å; V70-F92 HydrophobicContact CG1-CZ 3.58Å; V70-Y164 HydrophobicContact CB-CD2 4.41Å; V70-Y164 HydrophobicContact CB-CE2 4.29Å; V70-Y164 HydrophobicContact CG1-CD2 3.42Å; V70-Y164 VanDerWaalsContact CG1-CD2 3.42Å; V70-Y164 HydrophobicContact CG1-CE2 3.74Å; V70-Y164 HydrophobicContact CG1-CG 3.87Å; V70-Y164 HydrophobicContact CG2-CD2 4.04Å; V70-Y164 HydrophobicContact CG2-CE2 3.52Å; V70-V188 HydrophobicContact CG1-CG1 4.28Å; V70-V188 HydrophobicContact CG2-CG1 4.21Å; V70-L210 HydrophobicContact CG2-CD1 4.4Å; V70-L210 HydrophobicContact CG2-CD2 4.33Å
71L94.4Very high92.4Very high0 Ų027.1 Ų27.10%014%0.141CC..Hα-helixtrans-61.1-42.1178-70.8172.2000112D28 M32 Y67 A68 H73 L74 Q75 L76 F92 I95 L99D28-L71 HydrophobicContact CB-CB 4.21Å; D28-L71 HydrophobicContact CB-CD1 4.04Å; M32-L71 HydrophobicContact CG-CD1 3.94Å; M32-L71 HydrophobicContact SD-CD1 4.03Å; Y67-L71 WeakPolarHBondContact O-CB 3.5Å; Y67-L71 VanDerWaalsContact O-CG 3.24Å; Y67-L71 WeakPolarHBondContact O-CG 3.45Å; Y67-L71 PolarHBondContact O-N 3.29Å; A68-L71 PolarHBondContact O-N 3.35Å; L71-H73 PolarHBondContact O-N 3.05Å; L71-L74 PolarHBondContact O-N 3.32Å; L71-Q75 PolarHBondContact O-N 2.93Å; L71-L76 HydrophobicContact CD2-CD1 3.93Å; L71-F92 HydrophobicContact CD1-CE2 4.4Å; L71-F92 HydrophobicContact CD2-CE2 3.78Å; L71-F92 HydrophobicContact CD2-CZ 3.8Å; L71-F92 HydrophobicContact CG-CE2 3.84Å; L71-F92 HydrophobicContact CG-CZ 4.18Å; L71-I95 HydrophobicContact CD1-CG2 3.9Å; L71-I95 HydrophobicContact CD2-CG2 4.35Å; L71-L99 HydrophobicContact CD1-CD1 4.47Å; L71-L99 HydrophobicContact CD2-CD1 3.45Å; L71-L99 VanDerWaalsContact CD2-CD1 3.45Å
72K91.8Very high92.6Very high75 Ų7527.1 Ų27.133%0.32614%0.141SC..Hα-helixtrans-54.5-38174.8179.9174.2-178.3166.30112.6E23 A68 E69 V70 Q75E23-K72 IonicContact OE2-NZ 3.59Å; A68-K72 PolarHBondContact O-N 3.29Å; E69-K72 PolarHBondContact O-N 3.47Å; V70-K72 VanDerWaalsContact C-N 3.34Å; V70-K72 PolarHBondContact O-N 2.84Å; K72-Q75 WeakPolarHBondContact O-CG 2.91Å
73H92.3Very high92.9Very high36 Ų3625.9 Ų25.917%0.16713%0.133CC..Hα-helixtrans-88.9-35-178.4-72.893.4000114E69 V70 L71 Q75 V188 V212E69-H73 PolarHBondContact O-N 3.42Å; E69-H73 PolarHBondContact O-ND1 3.46Å; E69-H73 IonicContact OE1-CE1 3.17Å; E69-H73 PolarHBondContact OE1-CE1 2.82Å; E69-H73 IonicContact OE1-ND1 3.76Å; V70-H73 PolarHBondContact O-N 2.86Å; V70-H73 VanDerWaalsContact O-N 3.16Å; L71-H73 PolarHBondContact O-N 3.05Å; H73-Q75 VanDerWaalsContact C-N 3.3Å; H73-V188 HydrophobicContact CB-CG2 3.85Å; H73-V212 HydrophobicContact CB-CG2 4.02Å
74L95.4Very high93.2Very high0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-65.8-38.4173.8-72.1173.6000110.5V70 L71 L76 F82 F92 K162 I163 V188V70-L74 HydrophobicContact CG1-CD1 3.61Å; V70-L74 HydrophobicContact CG1-CG 4.05Å; V70-L74 WeakPolarHBondContact O-CG 3.02Å; V70-L74 PolarHBondContact O-N 3.16Å; L71-L74 PolarHBondContact O-N 3.32Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 HydrophobicContact CB-CG 4.04Å; L74-L76 HydrophobicContact CD1-CD1 4.23Å; L74-L76 HydrophobicContact CD1-CG 4.38Å; L74-L76 PolarHBondContact O-N 3.28Å; L74-F82 HydrophobicContact CD1-CE2 3.82Å; L74-F92 HydrophobicContact CD1-CE1 4.18Å; L74-F92 HydrophobicContact CD1-CZ 4.05Å; L74-K162 HydrophobicContact CD2-CB 4.39Å; L74-K162 WeakPolarHBondContact O-CD 3.3Å; L74-K162 WeakPolarHBondContact O-CE 3.38Å; L74-K162 PolarHBondContact O-NZ 3.41Å; L74-I163 WeakPolarHBondContact CD2-O 3.48Å; L74-V188 HydrophobicContact CD2-CB 4.15Å; L74-V188 HydrophobicContact CD2-CG2 3.68Å; L74-V188 HydrophobicContact CG-CB 4.43Å; L74-V188 HydrophobicContact CG-CG2 3.95Å
75Q94.5Very high93.3Very high100 Ų10026.2 Ų26.247%0.46713%0.134SC..  trans48.956.5-173.7-57.9-178.8-20.600110.3L71 K72 H73 K162L71-Q75 PolarHBondContact O-N 2.93Å; K72-Q75 WeakPolarHBondContact O-CG 2.91Å; H73-Q75 VanDerWaalsContact C-N 3.3Å; Q75-K162 PolarHBondContact O-NZ 2.81Å
76L96Very high93.5Very high3 Ų326 Ų262%0.01614%0.141CC..  trans-62.9138179.3-70.8166.9000110R25 L71 L74 D80 F82 A96 L99 V100 K162R25-L76 PolarHBondContact NH1-O 3.49Å; R25-L76 PolarHBondContact NH2-O 3.1Å; L71-L76 HydrophobicContact CD2-CD1 3.93Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 HydrophobicContact CB-CG 4.04Å; L74-L76 HydrophobicContact CD1-CD1 4.23Å; L74-L76 HydrophobicContact CD1-CG 4.38Å; L74-L76 PolarHBondContact O-N 3.28Å; L76-D80 WeakPolarHBondContact CA-OD2 3.32Å; L76-D80 HydrophobicContact CD2-CB 4.43Å; L76-F82 HydrophobicContact CD2-CB 4.08Å; L76-F82 HydrophobicContact CD2-CD2 3.77Å; L76-F82 HydrophobicContact CD2-CG 4.05Å; L76-A96 HydrophobicContact CD1-CB 3.72Å; L76-L99 HydrophobicContact CB-CB 3.66Å; L76-L99 HydrophobicContact CB-CD1 4.1Å; L76-L99 HydrophobicContact CB-CG 4.49Å; L76-L99 HydrophobicContact CD1-CB 4.27Å; L76-L99 HydrophobicContact CD1-CD1 3.95Å; L76-V100 HydrophobicContact CD2-CG1 3.88Å; L76-K162 HydrophobicContact CD2-CB 3.71Å; L76-K162 HydrophobicContact CD2-CG 3.81Å
77E94Very high93.8Very high110 Ų11025.8 Ų25.851%0.51414%0.14SC..  trans-135154.6-178.9-67.8-176.4159.300112G79 D80 L99 V100E77-G79 PolarHBondContact O-N 2.93Å; E77-D80 PolarHBondContact N-OD2 2.96Å; E77-D80 VanDerWaalsContact O-CB 3.31Å; E77-D80 WeakPolarHBondContact O-CB 3.37Å; E77-D80 PolarHBondContact O-N 3.49Å; E77-L99 CarbonylContact C-O 3.52Å; E77-L99 VanDerWaalsContact C-O 3.25Å; E77-V100 WeakPolarHBondContact O-CA 3.14Å
78P92.2Very high93.9Very high75 Ų7525.5 Ų25.549%0.48714%0.143SC..THydrogen-bonded Turntrans-53.6121.2172.9-28.536.9000112.1V100 A101P78-V100 CarbonylContact C-O 3.56Å; P78-V100 WeakPolarHBondContact CA-O 3.33Å; P78-A101 HydrophobicContact CB-CB 4.17Å; P78-A101 HydrophobicContact CG-CB 4.28Å
79G92Very high94Very high27 Ų2725.6 Ų25.628%0.27814%0.144SC..THydrogen-bonded Turntrans114.9-25.2-171.100000114.6E77 H81 V100 R283E77-G79 PolarHBondContact O-N 2.93Å; G79-H81 PolarHBondContact O-CD2 2.99Å; G79-V100 PolarHBondContact N-O 3.03Å; G79-R283 VanDerWaalsContact CA-NH2 3.31Å
80D95.7Very high94.3Very high15 Ų1525.3 Ų25.38%0.0814%0.142CC..  trans-64145.9-170.9-80.7-18000113.5L76 E77 V100 G104 I105 N161 K162L76-D80 WeakPolarHBondContact CA-OD2 3.32Å; L76-D80 HydrophobicContact CD2-CB 4.43Å; E77-D80 PolarHBondContact N-OD2 2.96Å; E77-D80 VanDerWaalsContact O-CB 3.31Å; E77-D80 WeakPolarHBondContact O-CB 3.37Å; E77-D80 PolarHBondContact O-N 3.49Å; D80-V100 HydrophobicContact CB-CB 4.32Å; D80-V100 HydrophobicContact CB-CG1 3.89Å; D80-G104 CarbonylContact O-C 3.49Å; D80-G104 WeakPolarHBondContact O-CA 3.38Å; D80-I105 PolarHBondContact O-N 3.4Å; D80-N161 PolarHBondContact OD1-ND2 2.82Å; D80-K162 HydrophobicContact CB-CG 4.17Å; D80-K162 WeakPolarHBondContact OD2-CE 3.12Å; D80-K162 WeakPolarHBondContact OD2-CG 3.12Å
81H95.3Very high94.5Very high38 Ų3825.3 Ų25.318%0.17614%0.142CC..EExtended strand (participates in β ladder)trans-99.7100.4168.9-69-153.7000108.2G79 I105 Y159 F160 N161 K162 R182G79-H81 PolarHBondContact O-CD2 2.99Å; H81-I105 HydrophobicContact CB-CB 4.16Å; H81-I105 WeakPolarHBondContact CE1-CD1 3.46Å; H81-I105 WeakPolarHBondContact ND1-CD1 3.47Å; H81-Y159 WeakPolarHBondContact CB-O 3.4Å; H81-Y159 PolarHBondContact ND1-O 2.77Å; H81-Y159 VanDerWaalsContact ND1-O 3.15Å; H81-F160 HydrophobicContact CB-CD1 4.29Å; H81-F160 CarbonylContact O-C 3.32Å; H81-F160 WeakPolarHBondContact O-CA 3.47Å; H81-F160 WeakPolarHBondContact O-CB 3.37Å; H81-N161 WeakPolarHBondContact CA-OD1 3.12Å; H81-N161 WeakPolarHBondContact CB-OD1 3.49Å; H81-N161 PolarHBondContact N-OD1 3.38Å; H81-N161 PolarHBondContact O-N 3.33Å; H81-N161 PolarHBondContact O-OD1 3.02Å; H81-K162 PolarHBondContact O-N 2.79Å; H81-R182 PolarHBondContact CE1-NH2 3.02Å
82F97.3Very high94.7Very high0 Ų025.4 Ų25.40%014%0.143CC..EExtended strand (participates in β ladder)trans-103.8135.2-175177.1-112.7000113L74 L76 N84 F92 A96 V100 I105 V107 K162L74-F82 HydrophobicContact CD1-CE2 3.82Å; L76-F82 HydrophobicContact CD2-CB 4.08Å; L76-F82 HydrophobicContact CD2-CD2 3.77Å; L76-F82 HydrophobicContact CD2-CG 4.05Å; F82-N84 HydrophobicContact CE1-CB 3.68Å; F82-N84 HydrophobicContact CZ-CB 3.79Å; F82-F92 HydrophobicContact CE2-CE1 4.47Å; F82-F92 HydrophobicContact CZ-CD1 4.13Å; F82-F92 AromaticContact CZ-CE1 3.74Å; F82-F92 HydrophobicContact CZ-CE1 3.74Å; F82-A96 HydrophobicContact CD1-CB 3.37Å; F82-A96 HydrophobicContact CE1-CB 3.25Å; F82-A96 HydrophobicContact CG-CB 4.18Å; F82-A96 HydrophobicContact CZ-CB 4Å; F82-V100 HydrophobicContact CB-CG1 3.74Å; F82-I105 PolarHBondContact N-O 2.9Å; F82-V107 PolarHBondContact O-N 3.47Å; F82-K162 CarbonylContact C-O 3.6Å; F82-K162 VanDerWaalsContact CA-O 3.27Å; F82-K162 WeakPolarHBondContact CA-O 3.31Å; F82-K162 HydrophobicContact CD2-CB 3.94Å; F82-K162 WeakPolarHBondContact CD2-O 3.32Å
83L95.8Very high94.9Very high0 Ų021.8 Ų21.80%013%0.127CC..EExtended strand (participates in β ladder)trans-120.1126170173.364.1000110.6V85 V107 L109 F155 F160 K162 I163 Y164 L177L83-V85 HydrophobicContact CD1-CG2 4.42Å; L83-V85 HydrophobicContact CD2-CG2 3.84Å; L83-V85 HydrophobicContact CG-CG2 3.84Å; L83-V107 CarbonylContact C-O 3.56Å; L83-V107 WeakPolarHBondContact CA-O 3.43Å; L83-V107 HydrophobicContact CD1-CB 4.1Å; L83-V107 HydrophobicContact CD1-CG1 3.73Å; L83-L109 HydrophobicContact CD1-CB 4.44Å; L83-F155 HydrophobicContact CD1-CE1 4.19Å; L83-F155 HydrophobicContact CD1-CE2 3.9Å; L83-F155 HydrophobicContact CD1-CZ 3.47Å; L83-F155 VanDerWaalsContact CD1-CZ 3.47Å; L83-F155 HydrophobicContact CD2-CD2 4.34Å; L83-F155 HydrophobicContact CD2-CE2 3.71Å; L83-F155 HydrophobicContact CD2-CZ 4.18Å; L83-F155 HydrophobicContact CG-CE2 4.49Å; L83-F155 HydrophobicContact CG-CZ 4.5Å; L83-F160 HydrophobicContact CB-CB 4.29Å; L83-F160 HydrophobicContact CB-CD1 3.64Å; L83-F160 HydrophobicContact CB-CD2 3.83Å; L83-F160 HydrophobicContact CB-CE1 3.82Å; L83-F160 HydrophobicContact CB-CE2 4.01Å; L83-F160 HydrophobicContact CB-CG 3.64Å; L83-F160 HydrophobicContact CB-CZ 3.99Å; L83-F160 HydrophobicContact CD1-CE2 4.42Å; L83-F160 HydrophobicContact CD1-CZ 4.22Å; L83-F160 HydrophobicContact CD2-CD2 3.89Å; L83-F160 HydrophobicContact CD2-CE2 3.83Å; L83-F160 HydrophobicContact CD2-CZ 4.42Å; L83-F160 HydrophobicContact CG-CD2 4.42Å; L83-F160 HydrophobicContact CG-CE2 4.3Å; L83-F160 HydrophobicContact CG-CZ 4.43Å; L83-K162 PolarHBondContact N-O 2.85Å; L83-I163 HydrophobicContact CB-CG1 4.21Å; L83-I163 HydrophobicContact CB-CG2 4.28Å; L83-I163 HydrophobicContact CD2-CD1 4.47Å; L83-I163 HydrophobicContact CD2-CG2 4.14Å; L83-I163 HydrophobicContact CG-CG2 4.26Å; L83-I163 CarbonylContact O-C 3.35Å; L83-I163 WeakPolarHBondContact O-CA 3.32Å; L83-Y164 PolarHBondContact O-N 2.93Å; L83-L177 HydrophobicContact CD2-CD2 4.27Å
84N96.3Very high95.1Very high3 Ų320.1 Ų20.12%0.01612%0.119CC..EExtended strand (participates in β ladder)trans-106.5108.1170.3-174.35.9000110.6F82 S93 V107 G108 L109 Y164F82-N84 HydrophobicContact CE1-CB 3.68Å; F82-N84 HydrophobicContact CZ-CB 3.79Å; N84-S93 PolarHBondContact ND2-OG 2.99Å; N84-V107 PolarHBondContact N-O 3.37Å; N84-G108 CarbonylContact O-C 3.58Å; N84-G108 WeakPolarHBondContact O-CA 3.27Å; N84-L109 PolarHBondContact O-N 2.9Å; N84-Y164 VanDerWaalsContact OD1-CD1 3.26Å; N84-Y164 WeakPolarHBondContact OD1-CD1 3.46Å
85V93Very high95.2Very high3 Ų320.1 Ų20.12%0.01812%0.119CC..EExtended strand (participates in β ladder)trans-92.2124.1178.4-176.90000110.3L83 L109 L148 I163 Y164 C165 G166 F167 L177L83-V85 HydrophobicContact CD1-CG2 4.42Å; L83-V85 HydrophobicContact CD2-CG2 3.84Å; L83-V85 HydrophobicContact CG-CG2 3.84Å; V85-L109 HydrophobicContact CG1-CD2 4.43Å; V85-L148 HydrophobicContact CG1-CD1 3.9Å; V85-L148 HydrophobicContact CG1-CD2 3.56Å; V85-L148 HydrophobicContact CG1-CG 3.73Å; V85-L148 HydrophobicContact CG2-CD2 4.16Å; V85-I163 HydrophobicContact CG2-CG2 4.23Å; V85-Y164 PolarHBondContact N-O 3.46Å; V85-C165 HydrophobicContact CB-CB 4.17Å; V85-C165 WeakPolarHBondContact O-CA 3.39Å; V85-G166 PolarHBondContact O-N 3.16Å; V85-F167 HydrophobicContact CG1-CE1 3.86Å; V85-F167 HydrophobicContact CG1-CZ 3.67Å; V85-L177 HydrophobicContact CG2-CD1 4.33Å; V85-L177 HydrophobicContact CG2-CD2 4.18Å
86G92.4Very high95.3Very high24 Ų2415.3 Ų15.325%0.24710%0.097CC..SBendtrans76.551.3-166.600000110.2G88 L109G86-G88 PolarHBondContact O-N 3.25Å; G86-G88 VanDerWaalsContact O-N 3.14Å; G86-L109 WeakPolarHBondContact CA-O 3.39Å; G86-L109 PolarHBondContact N-O 3.03Å
87S94.6Very high95.3Very high7 Ų715.2 Ų15.25%0.04910%0.096CC..  trans-64.9-17.5-171.659.60000114.1S89 G90 L109S87-S89 PolarHBondContact O-N 3.15Å; S87-G90 PolarHBondContact O-N 2.76Å; S87-L109 PolarHBondContact N-O 3.2Å
88G94Very high95.2Very high12 Ų1210.6 Ų10.612%0.1248%0.075CC..THydrogen-bonded Turntrans58.2-126.2172.900000112.3G86 G90 E110G86-G88 PolarHBondContact O-N 3.25Å; G86-G88 VanDerWaalsContact O-N 3.14Å; G88-G90 PolarHBondContact O-N 2.65Å; G88-E110 PolarHBondContact N-OE2 3.34Å; G88-E110 VanDerWaalsContact N-OE2 3.09Å
89S94.5Very high95.3Very high3 Ų37.5 Ų7.52%0.0215%0.054CC..THydrogen-bonded Turntrans-66.5-15.4176.764.30000114.1F40 M59 I61 S87 Y91 S119F40-S89 WeakPolarHBondContact CD1-O 3.45Å; F40-S89 WeakPolarHBondContact O-CB 3.37Å; M59-S89 WeakPolarHBondContact SD-CB 3.34Å; I61-S89 VanDerWaalsContact CD1-OG 3.29Å; I61-S89 WeakPolarHBondContact CD1-OG 3.45Å; S87-S89 PolarHBondContact O-N 3.15Å; S89-Y91 VanDerWaalsContact C-N 3.35Å; S89-Y91 WeakPolarHBondContact OG-CB 3.39Å; S89-Y91 PolarHBondContact OG-N 3.3Å; S89-S119 VanDerWaalsContact O-CA 3.28Å; S89-S119 WeakPolarHBondContact O-CA 3.28Å; S89-S119 VanDerWaalsContact O-CB 3.25Å; S89-S119 WeakPolarHBondContact O-CB 3.47Å
90G96.4Very high95.4Very high0 Ų06.2 Ų6.20%04%0.041CC..SBendtrans86.9-2.5-171.600000114.7S87 G88 F92 S93 C94S87-G90 PolarHBondContact O-N 2.76Å; G88-G90 PolarHBondContact O-N 2.65Å; G90-F92 PolarHBondContact O-N 3.25Å; G90-S93 WeakPolarHBondContact O-CB 3.24Å; G90-S93 PolarHBondContact O-N 3.36Å; G90-S93 VanDerWaalsContact O-N 3.11Å; G90-C94 PolarHBondContact O-N 2.79Å
91Y97.1Very high95Very high0 Ų05.7 Ų5.70%04%0.039CC..Hα-helixtrans-52.5-54.6-178.9173.2-119.4000113.1V35 R37 F40 I61 Y67 S89 S93 C94 I95V35-Y91 HydrophobicContact CB-CE2 4.18Å; V35-Y91 HydrophobicContact CG1-CD2 3.68Å; V35-Y91 HydrophobicContact CG1-CE2 3.7Å; V35-Y91 WeakPolarHBondContact O-CE2 3.37Å; R37-Y91 VanDerWaalsContact CA-CE2 3.46Å; R37-Y91 HydrophobicContact CB-CD2 4.39Å; R37-Y91 HydrophobicContact CB-CE1 4.41Å; R37-Y91 HydrophobicContact CB-CE2 3.72Å; R37-Y91 HydrophobicContact CG-CD1 4.34Å; R37-Y91 HydrophobicContact CG-CD2 4.38Å; R37-Y91 HydrophobicContact CG-CE1 3.97Å; R37-Y91 HydrophobicContact CG-CE2 4.02Å; F40-Y91 HydrophobicContact CB-CD2 4.47Å; F40-Y91 HydrophobicContact CB-CG 4.48Å; F40-Y91 AromaticContact CD2-CD2 3.56Å; F40-Y91 HydrophobicContact CD2-CD2 3.56Å; F40-Y91 HydrophobicContact CD2-CE2 4.49Å; F40-Y91 HydrophobicContact CD2-CG 4.29Å; F40-Y91 AromaticContact CE2-CD2 3.98Å; F40-Y91 HydrophobicContact CE2-CD2 3.98Å; F40-Y91 HydrophobicContact CG-CD2 4.04Å; F40-Y91 HydrophobicContact CG-CG 4.31Å; I61-Y91 HydrophobicContact CG2-CD1 3.99Å; Y67-Y91 HydrophobicContact CD2-CD1 4.04Å; Y67-Y91 AromaticContact CD2-CE1 3.75Å; Y67-Y91 HydrophobicContact CD2-CE1 3.75Å; Y67-Y91 AromaticContact CE2-CD1 3.53Å; Y67-Y91 HydrophobicContact CE2-CD1 3.53Å; Y67-Y91 AromaticContact CE2-CE1 3.69Å; Y67-Y91 HydrophobicContact CE2-CE1 3.69Å; S89-Y91 VanDerWaalsContact C-N 3.35Å; S89-Y91 WeakPolarHBondContact OG-CB 3.39Å; S89-Y91 PolarHBondContact OG-N 3.3Å; Y91-S93 VanDerWaalsContact C-N 3.3Å; Y91-S93 PolarHBondContact O-N 3.46Å; Y91-C94 PolarHBondContact O-N 2.96Å; Y91-C94 VanDerWaalsContact O-N 3.15Å; Y91-I95 HydrophobicContact CD1-CD1 4.26Å; Y91-I95 HydrophobicContact CD2-CD1 4.44Å; Y91-I95 HydrophobicContact CE1-CD1 3.7Å; Y91-I95 HydrophobicContact CE2-CD1 3.9Å; Y91-I95 HydrophobicContact CE2-CG1 4.41Å; Y91-I95 PolarHBondContact O-N 2.81Å
92F97.5Very high94.2Very high2 Ų25.8 Ų5.81%0.0094%0.041CC..Hα-helixtrans-66.9-33.5179.9-172-111.3000112.3Y67 V70 L71 L74 F82 G90 C94 I95 A96 Y164Y67-F92 HydrophobicContact CD1-CB 4.05Å; Y67-F92 HydrophobicContact CD1-CD1 4.48Å; Y67-F92 AromaticContact CD1-CD2 3.2Å; Y67-F92 HydrophobicContact CD1-CD2 3.2Å; Y67-F92 AromaticContact CD1-CE2 3.7Å; Y67-F92 HydrophobicContact CD1-CE2 3.7Å; Y67-F92 AromaticContact CD1-CG 3.67Å; Y67-F92 HydrophobicContact CD1-CG 3.67Å; Y67-F92 HydrophobicContact CD2-CD2 4.36Å; Y67-F92 HydrophobicContact CE1-CB 3.64Å; Y67-F92 HydrophobicContact CE1-CD1 4.5Å; Y67-F92 AromaticContact CE1-CD2 3.74Å; Y67-F92 HydrophobicContact CE1-CD2 3.74Å; Y67-F92 AromaticContact CE1-CG 3.7Å; Y67-F92 HydrophobicContact CE1-CG 3.7Å; Y67-F92 AromaticContact CG-CD2 3.57Å; Y67-F92 HydrophobicContact CG-CD2 3.57Å; Y67-F92 HydrophobicContact CG-CE2 4.05Å; Y67-F92 HydrophobicContact CG-CG 4.37Å; V70-F92 HydrophobicContact CB-CZ 4.3Å; V70-F92 HydrophobicContact CG1-CE1 4.03Å; V70-F92 HydrophobicContact CG1-CE2 4.43Å; V70-F92 HydrophobicContact CG1-CZ 3.58Å; L71-F92 HydrophobicContact CD1-CE2 4.4Å; L71-F92 HydrophobicContact CD2-CE2 3.78Å; L71-F92 HydrophobicContact CD2-CZ 3.8Å; L71-F92 HydrophobicContact CG-CE2 3.84Å; L71-F92 HydrophobicContact CG-CZ 4.18Å; L74-F92 HydrophobicContact CD1-CE1 4.18Å; L74-F92 HydrophobicContact CD1-CZ 4.05Å; F82-F92 HydrophobicContact CE2-CE1 4.47Å; F82-F92 HydrophobicContact CZ-CD1 4.13Å; F82-F92 AromaticContact CZ-CE1 3.74Å; F82-F92 HydrophobicContact CZ-CE1 3.74Å; G90-F92 PolarHBondContact O-N 3.25Å; F92-C94 VanDerWaalsContact C-N 3.26Å; F92-C94 PolarHBondContact O-N 3.2Å; F92-I95 PolarHBondContact O-N 3.38Å; F92-A96 WeakPolarHBondContact O-CB 3.45Å; F92-A96 PolarHBondContact O-N 3.28Å; F92-Y164 AromaticContact CD1-CD1 3.41Å; F92-Y164 HydrophobicContact CD1-CD1 3.41Å; F92-Y164 VanDerWaalsContact CD1-CD1 3.41Å; F92-Y164 AromaticContact CD1-CE1 3.74Å; F92-Y164 HydrophobicContact CD1-CE1 3.74Å; F92-Y164 HydrophobicContact CD1-CG 4.28Å; F92-Y164 AromaticContact CE1-CD1 3.4Å; F92-Y164 HydrophobicContact CE1-CD1 3.4Å; F92-Y164 AromaticContact CE1-CE1 3.98Å; F92-Y164 HydrophobicContact CE1-CE1 3.98Å; F92-Y164 AromaticContact CE1-CG 3.81Å; F92-Y164 HydrophobicContact CE1-CG 3.81Å; F92-Y164 HydrophobicContact CG-CD1 4.46Å; F92-Y164 HydrophobicContact CG-CE1 4.41Å; F92-Y164 HydrophobicContact CZ-CD1 4.46Å
93S97.6Very high93.3Very high0 Ų08.2 Ų8.20%07%0.065CC..Hα-helixtrans-63.4-33.5174.5-55.40000111.7N84 G90 Y91 G97 N106N84-S93 PolarHBondContact ND2-OG 2.99Å; G90-S93 WeakPolarHBondContact O-CB 3.24Å; G90-S93 PolarHBondContact O-N 3.36Å; G90-S93 VanDerWaalsContact O-N 3.11Å; Y91-S93 VanDerWaalsContact C-N 3.3Å; Y91-S93 PolarHBondContact O-N 3.46Å; S93-G97 PolarHBondContact O-N 2.96Å; S93-N106 PolarHBondContact O-ND2 3.23Å
94C96Very high93.1Very high0 Ų08.6 Ų8.60%07%0.07CC..Hα-helixtrans-70.7-40.3173.2-72.80000112.7V35 F40 G90 Y91 F92 A96 G97 I98 V123 M126 F138V35-C94 HydrophobicContact CG1-CB 3.84Å; V35-C94 HydrophobicContact CG2-CB 4.06Å; F40-C94 HydrophobicContact CE1-CB 4.38Å; F40-C94 HydrophobicContact CZ-CB 3.82Å; F40-C94 VanDerWaalsContact CZ-SG 3.58Å; G90-C94 PolarHBondContact O-N 2.79Å; Y91-C94 PolarHBondContact O-N 2.96Å; Y91-C94 VanDerWaalsContact O-N 3.15Å; F92-C94 VanDerWaalsContact C-N 3.26Å; F92-C94 PolarHBondContact O-N 3.2Å; C94-A96 VanDerWaalsContact C-N 3.31Å; C94-A96 PolarHBondContact O-N 2.83Å; C94-G97 PolarHBondContact O-N 2.97Å; C94-G97 VanDerWaalsContact O-N 3.12Å; C94-I98 PolarHBondContact O-N 3.01Å; C94-V123 VanDerWaalsContact SG-CG2 3.54Å; C94-M126 HydrophobicContact CB-CE 4.08Å; C94-M126 HydrophobicContact CB-SD 4.07Å; C94-F138 HydrophobicContact CB-CE2 4.36Å; C94-F138 HydrophobicContact CB-CZ 4.43Å; C94-F138 WeakPolarHBondContact O-CE2 3.22Å
95I96.4Very high92.9Very high0 Ų011.3 Ų11.30%08%0.084CC..Hα-helixtrans-59.1-47.8173.8-66.1167.7000109.7A31 M32 V35 L71 Y91 F92 G97 I98 L99A31-I95 HydrophobicContact CB-CG2 3.81Å; M32-I95 HydrophobicContact CG-CD1 4.19Å; M32-I95 HydrophobicContact CG-CG2 4.25Å; V35-I95 HydrophobicContact CB-CG1 3.82Å; V35-I95 HydrophobicContact CG1-CG1 4.3Å; V35-I95 HydrophobicContact CG2-CG1 3.84Å; L71-I95 HydrophobicContact CD1-CG2 3.9Å; L71-I95 HydrophobicContact CD2-CG2 4.35Å; Y91-I95 HydrophobicContact CD1-CD1 4.26Å; Y91-I95 HydrophobicContact CD2-CD1 4.44Å; Y91-I95 HydrophobicContact CE1-CD1 3.7Å; Y91-I95 HydrophobicContact CE2-CD1 3.9Å; Y91-I95 HydrophobicContact CE2-CG1 4.41Å; Y91-I95 PolarHBondContact O-N 2.81Å; F92-I95 PolarHBondContact O-N 3.38Å; I95-G97 VanDerWaalsContact C-N 3.27Å; I95-G97 PolarHBondContact O-N 3.05Å; I95-I98 WeakPolarHBondContact O-CB 3.35Å; I95-I98 PolarHBondContact O-N 2.91Å; I95-I98 VanDerWaalsContact O-N 3.17Å; I95-L99 HydrophobicContact CG2-CD1 4.36Å; I95-L99 PolarHBondContact O-N 3.17Å
96A97.4Very high93.1Very high0 Ų011.2 Ų11.20%08%0.083CC..Hα-helixtrans-60.3-37.7175.700000112.2L76 F82 F92 C94 I98 L99 V100L76-A96 HydrophobicContact CD1-CB 3.72Å; F82-A96 HydrophobicContact CD1-CB 3.37Å; F82-A96 HydrophobicContact CE1-CB 3.25Å; F82-A96 HydrophobicContact CG-CB 4.18Å; F82-A96 HydrophobicContact CZ-CB 4Å; F92-A96 WeakPolarHBondContact O-CB 3.45Å; F92-A96 PolarHBondContact O-N 3.28Å; C94-A96 VanDerWaalsContact C-N 3.31Å; C94-A96 PolarHBondContact O-N 2.83Å; A96-I98 PolarHBondContact O-N 2.82Å; A96-L99 PolarHBondContact O-N 3.15Å; A96-V100 WeakPolarHBondContact O-CG1 3.5Å; A96-V100 WeakPolarHBondContact O-CG2 3.34Å; A96-V100 PolarHBondContact O-N 3.26Å
97G95.6Very high93.2Very high0 Ų010.2 Ų10.20%07%0.072CC..Hα-helixtrans-58.8-29.4176.800000114.4S93 C94 I95 N106 V139S93-G97 PolarHBondContact O-N 2.96Å; C94-G97 PolarHBondContact O-N 2.97Å; C94-G97 VanDerWaalsContact O-N 3.12Å; I95-G97 VanDerWaalsContact C-N 3.27Å; I95-G97 PolarHBondContact O-N 3.05Å; G97-N106 WeakPolarHBondContact CA-ND2 3.39Å; G97-N106 PolarHBondContact N-ND2 2.9Å; G97-V139 VanDerWaalsContact CA-O 3.29Å; G97-V139 WeakPolarHBondContact CA-O 3.27Å; G97-V139 PolarHBondContact O-N 3.2Å
98I92.2Very high93.3Very high13 Ų139.9 Ų9.97%0.0677%0.069CC..Hα-helixtrans-74-41.4172.6-62.7173.7000110.8A31 S34 V35 C94 I95 A96 A101 F133 L136 F138A31-I98 HydrophobicContact CB-CB 4Å; A31-I98 HydrophobicContact CB-CD1 4.31Å; A31-I98 HydrophobicContact CB-CG2 3.93Å; S34-I98 VanDerWaalsContact CB-CD1 3.45Å; V35-I98 HydrophobicContact CG2-CD1 3.52Å; V35-I98 HydrophobicContact CG2-CG1 4.44Å; C94-I98 PolarHBondContact O-N 3.01Å; I95-I98 WeakPolarHBondContact O-CB 3.35Å; I95-I98 PolarHBondContact O-N 2.91Å; I95-I98 VanDerWaalsContact O-N 3.17Å; A96-I98 PolarHBondContact O-N 2.82Å; I98-A101 WeakPolarHBondContact O-CB 3.46Å; I98-F133 HydrophobicContact CD1-CD1 4.26Å; I98-F133 HydrophobicContact CD1-CE1 3.81Å; I98-F133 HydrophobicContact CG1-CD1 4.34Å; I98-F133 HydrophobicContact CG1-CE1 4.32Å; I98-L136 HydrophobicContact CD1-CD1 4.13Å; I98-L136 HydrophobicContact CG1-CD1 4.24Å; I98-L136 HydrophobicContact CG2-CB 4.46Å; I98-L136 HydrophobicContact CG2-CD1 4.04Å; I98-F138 HydrophobicContact CG1-CD2 3.81Å; I98-F138 HydrophobicContact CG1-CE2 4.37Å
99L94.4Very high93.2Very high10 Ų109.4 Ų9.45%0.0526%0.064CC..Hα-helixtrans-75.6-41.9-174.5-65.1168.9000112.7A27 D28 A31 L71 L76 E77 I95 A96 A101A27-L99 HydrophobicContact CB-CD2 3.95Å; A27-L99 WeakPolarHBondContact O-CD2 3.37Å; D28-L99 WeakPolarHBondContact OD1-CD1 3.41Å; A31-L99 HydrophobicContact CB-CD1 4.12Å; A31-L99 HydrophobicContact CB-CD2 3.77Å; A31-L99 HydrophobicContact CB-CG 3.69Å; L71-L99 HydrophobicContact CD1-CD1 4.47Å; L71-L99 HydrophobicContact CD2-CD1 3.45Å; L71-L99 VanDerWaalsContact CD2-CD1 3.45Å; L76-L99 HydrophobicContact CB-CB 3.66Å; L76-L99 HydrophobicContact CB-CD1 4.1Å; L76-L99 HydrophobicContact CB-CG 4.49Å; L76-L99 HydrophobicContact CD1-CB 4.27Å; L76-L99 HydrophobicContact CD1-CD1 3.95Å; E77-L99 CarbonylContact C-O 3.52Å; E77-L99 VanDerWaalsContact C-O 3.25Å; I95-L99 HydrophobicContact CG2-CD1 4.36Å; I95-L99 PolarHBondContact O-N 3.17Å; A96-L99 PolarHBondContact O-N 3.15Å; L99-A101 PolarHBondContact O-N 3.35Å
100V94.8Very high93.2Very high0 Ų010 Ų100%07%0.066CC..Hα-helixtrans-69.8-25.4179.6-57.70000112.8L76 E77 P78 G79 D80 F82 A96 N106 V139L76-V100 HydrophobicContact CD2-CG1 3.88Å; E77-V100 WeakPolarHBondContact O-CA 3.14Å; P78-V100 CarbonylContact C-O 3.56Å; P78-V100 WeakPolarHBondContact CA-O 3.33Å; G79-V100 PolarHBondContact N-O 3.03Å; D80-V100 HydrophobicContact CB-CB 4.32Å; D80-V100 HydrophobicContact CB-CG1 3.89Å; F82-V100 HydrophobicContact CB-CG1 3.74Å; A96-V100 WeakPolarHBondContact O-CG1 3.5Å; A96-V100 WeakPolarHBondContact O-CG2 3.34Å; A96-V100 PolarHBondContact O-N 3.26Å; V100-N106 HydrophobicContact CG2-CB 4.27Å; V100-V139 HydrophobicContact CG2-CB 3.91Å; V100-V139 HydrophobicContact CG2-CG1 4.48Å; V100-V139 HydrophobicContact CG2-CG2 4.03Å
101A87.4Confident93Very high4 Ų414.8 Ų14.83%0.0339%0.091CC..  trans36.2175.7171.500000118P78 I98 L99 G103 G104 G137P78-A101 HydrophobicContact CB-CB 4.17Å; P78-A101 HydrophobicContact CG-CB 4.28Å; I98-A101 WeakPolarHBondContact O-CB 3.46Å; L99-A101 PolarHBondContact O-N 3.35Å; A101-G103 VanDerWaalsContact C-N 3.26Å; A101-G103 PolarHBondContact O-N 3.06Å; A101-G104 PolarHBondContact O-N 3.49Å; A101-G137 CarbonylContact C-O 3.58Å; A101-G137 VanDerWaalsContact CA-O 3.27Å; A101-G137 WeakPolarHBondContact CA-O 3.5Å
102N78.4Confident92.8Very high41 Ų4120 Ų2022%0.21911%0.114CC..THydrogen-bonded Turntrans5330.8147.6-65.4-25.6000117.7G137 S281 R283N102-G137 PolarHBondContact N-O 2.85Å; N102-S281 WeakPolarHBondContact CB-O 3.47Å; N102-S281 WeakPolarHBondContact ND2-CA 3.33Å; N102-S281 PolarHBondContact ND2-O 3.38Å; N102-R283 PolarHBondContact O-NE 3.14Å; N102-R283 PolarHBondContact O-NH2 3.04Å
103G77.4Confident92.6Very high50 Ų5024.3 Ų24.352%0.51514%0.142SC..THydrogen-bonded Turntrans95.715.3-177.900000114.9A101 R283A101-G103 VanDerWaalsContact C-N 3.26Å; A101-G103 PolarHBondContact O-N 3.06Å; G103-R283 VanDerWaalsContact CA-NH2 3.3Å; G103-R283 PolarHBondContact O-NH2 3.46Å
104G90.8Very high92.5Very high9 Ų926.8 Ų26.89%0.09317%0.168CC..  trans-65.1176.1170.100000110D80 A101 V139D80-G104 CarbonylContact O-C 3.49Å; D80-G104 WeakPolarHBondContact O-CA 3.38Å; A101-G104 PolarHBondContact O-N 3.49Å; G104-V139 WeakPolarHBondContact O-CG1 3.48Å
105I93.9Very high92.5Very high60 Ų6028.1 Ų28.131%0.30818%0.175SC..EExtended strand (participates in β ladder)trans-112.2130.3174.4-61.8-171.2000108.2D80 H81 F82 V107 F160D80-I105 PolarHBondContact O-N 3.4Å; H81-I105 HydrophobicContact CB-CB 4.16Å; H81-I105 WeakPolarHBondContact CE1-CD1 3.46Å; H81-I105 WeakPolarHBondContact ND1-CD1 3.47Å; F82-I105 PolarHBondContact N-O 2.9Å; I105-V107 HydrophobicContact CG2-CG2 3.71Å; I105-F160 HydrophobicContact CG2-CE1 4.29Å
106N96Very high92.5Very high1 Ų128.5 Ų28.51%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-127.7109.2178.5-175.57.2000109S93 G97 V100 V139 P141 Q142S93-N106 PolarHBondContact O-ND2 3.23Å; G97-N106 WeakPolarHBondContact CA-ND2 3.39Å; G97-N106 PolarHBondContact N-ND2 2.9Å; V100-N106 HydrophobicContact CG2-CB 4.27Å; N106-V139 HydrophobicContact CB-CB 4.34Å; N106-V139 HydrophobicContact CB-CG1 3.83Å; N106-V139 PolarHBondContact ND2-O 2.83Å; N106-P141 WeakPolarHBondContact O-CA 3.19Å; N106-Q142 PolarHBondContact O-N 2.9Å
107V95.1Very high92.4Very high2 Ų233 Ų331%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-122.7133.1-175.8175.90000109.8F82 L83 N84 I105 Q142 Y144 F155 F160F82-V107 PolarHBondContact O-N 3.47Å; L83-V107 CarbonylContact C-O 3.56Å; L83-V107 WeakPolarHBondContact CA-O 3.43Å; L83-V107 HydrophobicContact CD1-CB 4.1Å; L83-V107 HydrophobicContact CD1-CG1 3.73Å; N84-V107 PolarHBondContact N-O 3.37Å; I105-V107 HydrophobicContact CG2-CG2 3.71Å; V107-Q142 WeakPolarHBondContact CA-O 3.43Å; V107-Y144 HydrophobicContact CG1-CD2 3.71Å; V107-Y144 HydrophobicContact CG1-CE2 3.83Å; V107-F155 HydrophobicContact CG1-CE1 3.67Å; V107-F155 HydrophobicContact CG1-CZ 4.2Å; V107-F160 HydrophobicContact CB-CE1 3.86Å; V107-F160 HydrophobicContact CB-CZ 4.05Å; V107-F160 HydrophobicContact CG1-CZ 4.28Å; V107-F160 HydrophobicContact CG2-CE1 3.82Å; V107-F160 HydrophobicContact CG2-CZ 4.08Å
108G95.4Very high92.5Very high0 Ų035.4 Ų35.40%021%0.208CC..EExtended strand (participates in β ladder)trans-111.8135.2170.600000111.1N84 Q142 F143 Y144N84-G108 CarbonylContact O-C 3.58Å; N84-G108 WeakPolarHBondContact O-CA 3.27Å; G108-Q142 PolarHBondContact N-O 2.76Å; G108-F143 CarbonylContact O-C 3.6Å; G108-F143 WeakPolarHBondContact O-CA 3.38Å; G108-Y144 PolarHBondContact O-N 3.47Å
109L93.7Very high92.7Very high3 Ų334.8 Ų34.82%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-114.8127.9171.4-174.767.4000109.4L83 N84 V85 G86 S87 L148 V151 I154 F155L83-L109 HydrophobicContact CD1-CB 4.44Å; N84-L109 PolarHBondContact O-N 2.9Å; V85-L109 HydrophobicContact CG1-CD2 4.43Å; G86-L109 WeakPolarHBondContact CA-O 3.39Å; G86-L109 PolarHBondContact N-O 3.03Å; S87-L109 PolarHBondContact N-O 3.2Å; L109-L148 HydrophobicContact CD2-CD2 4.15Å; L109-V151 HydrophobicContact CD2-CG1 3.64Å; L109-I154 HydrophobicContact CD1-CD1 3.79Å; L109-I154 HydrophobicContact CD1-CG2 4.41Å; L109-F155 HydrophobicContact CB-CZ 4.09Å; L109-F155 HydrophobicContact CD1-CZ 4.17Å; L109-F155 HydrophobicContact CD2-CE2 4.14Å; L109-F155 HydrophobicContact CD2-CZ 4.12Å; L109-F155 HydrophobicContact CG-CZ 4.37Å
110E93.9Very high92.8Very high14 Ų1439 Ų397%0.06522%0.222CC..EExtended strand (participates in β ladder)trans-137.3138.8178.1171.254.8-119.800110G88 K112 L115 V116 Y144 C145 G146G88-E110 PolarHBondContact N-OE2 3.34Å; G88-E110 VanDerWaalsContact N-OE2 3.09Å; E110-K112 HydrophobicContact CG-CB 4.47Å; E110-K112 WeakPolarHBondContact OE1-CB 3.43Å; E110-K112 PolarHBondContact OE1-N 3.04Å; E110-L115 HydrophobicContact CG-CB 3.72Å; E110-V116 HydrophobicContact CB-CG2 3.69Å; E110-V116 HydrophobicContact CG-CG2 3.94Å; E110-Y144 PolarHBondContact N-O 3.38Å; E110-C145 CarbonylContact O-C 3.6Å; E110-C145 VanDerWaalsContact O-CA 3.25Å; E110-C145 WeakPolarHBondContact O-CA 3.45Å; E110-G146 PolarHBondContact O-N 2.91Å
111I92.3Very high92.9Very high101 Ų10144 Ų4452%0.51825%0.246SC..SBendtrans-82.2-28.6-177-165.7171.4000111.7P113 G146 N147I111-P113 WeakPolarHBondContact O-CD 3.35Å; I111-G146 WeakPolarHBondContact CA-O 3.32Å; I111-N147 HydrophobicContact CD1-CB 4.32Å
112K92.4Very high93.2Very high109 Ų10944 Ų4447%0.47425%0.245SC..  trans-88.5113.4-178.8-63.5-175.8-176.1176.40110.6E110 G114 L115 V116E110-K112 HydrophobicContact CG-CB 4.47Å; E110-K112 WeakPolarHBondContact OE1-CB 3.43Å; E110-K112 PolarHBondContact OE1-N 3.04Å; K112-G114 VanDerWaalsContact C-N 3.26Å; K112-G114 PolarHBondContact O-N 3.38Å; K112-L115 HydrophobicContact CB-CB 4.12Å; K112-L115 HydrophobicContact CB-CD1 4.12Å; K112-L115 HydrophobicContact CB-CG 3.99Å; K112-L115 HydrophobicContact CD-CD1 3.83Å; K112-L115 HydrophobicContact CD-CG 4.25Å; K112-L115 HydrophobicContact CG-CD1 4.45Å; K112-L115 PolarHBondContact O-N 3.49Å; K112-V116 PolarHBondContact O-N 2.8Å; K112-V116 VanDerWaalsContact O-N 3.15Å
113P94.3Very high94Very high93 Ų9342.6 Ų42.660%0.60424%0.238SC*.Hα-helixtrans-60-34.9-179.122.1-32.9000113I111 L115 V116 E117I111-P113 WeakPolarHBondContact O-CD 3.35Å; P113-L115 VanDerWaalsContact C-N 3.31Å; P113-L115 PolarHBondContact O-N 2.88Å; P113-V116 WeakPolarHBondContact O-CB 3.43Å; P113-V116 PolarHBondContact O-N 2.69Å; P113-E117 PolarHBondContact O-N 2.86Å
114G95.4Very high94.8Very high53 Ų5343 Ų4355%0.54623%0.233SC..Hα-helixtrans-63.4-33.4175.600000113.7K112 Y118K112-G114 VanDerWaalsContact C-N 3.26Å; K112-G114 PolarHBondContact O-N 3.38Å; G114-Y118 WeakPolarHBondContact O-CB 3.47Å; G114-Y118 PolarHBondContact O-N 2.74Å
115L94.8Very high94.8Very high27 Ų2747.2 Ų47.214%0.14125%0.25CS..Hα-helixtrans-76.2-34.6175.3-69.3-173.9000112M59 E110 K112 P113 E117 Y118 S119M59-L115 HydrophobicContact CB-CD2 3.94Å; M59-L115 HydrophobicContact CG-CD1 4.37Å; M59-L115 HydrophobicContact CG-CD2 3.89Å; M59-L115 HydrophobicContact SD-CD2 3.74Å; E110-L115 HydrophobicContact CG-CB 3.72Å; K112-L115 HydrophobicContact CB-CB 4.12Å; K112-L115 HydrophobicContact CB-CD1 4.12Å; K112-L115 HydrophobicContact CB-CG 3.99Å; K112-L115 HydrophobicContact CD-CD1 3.83Å; K112-L115 HydrophobicContact CD-CG 4.25Å; K112-L115 HydrophobicContact CG-CD1 4.45Å; K112-L115 PolarHBondContact O-N 3.49Å; P113-L115 VanDerWaalsContact C-N 3.31Å; P113-L115 PolarHBondContact O-N 2.88Å; L115-E117 VanDerWaalsContact C-N 3.31Å; L115-E117 PolarHBondContact O-N 3.4Å; L115-Y118 PolarHBondContact O-N 2.78Å; L115-S119 VanDerWaalsContact O-CB 3.3Å; L115-S119 WeakPolarHBondContact O-CB 3.31Å; L115-S119 PolarHBondContact O-N 3.2Å; L115-S119 PolarHBondContact O-OG 2.89Å
116V96.1Very high94.6Very high8 Ų844.3 Ų44.35%0.04824%0.236CC..Hα-helixtrans-57.9-47.7171.4173.70000110.3E110 K112 P113 S119 K120 F143 C145E110-V116 HydrophobicContact CB-CG2 3.69Å; E110-V116 HydrophobicContact CG-CG2 3.94Å; K112-V116 PolarHBondContact O-N 2.8Å; K112-V116 VanDerWaalsContact O-N 3.15Å; P113-V116 WeakPolarHBondContact O-CB 3.43Å; P113-V116 PolarHBondContact O-N 2.69Å; V116-S119 PolarHBondContact O-N 2.8Å; V116-S119 PolarHBondContact O-OG 2.97Å; V116-K120 WeakPolarHBondContact O-CG 3.32Å; V116-K120 PolarHBondContact O-N 3.22Å; V116-F143 HydrophobicContact CG1-CB 4.05Å; V116-C145 HydrophobicContact CG2-CB 3.97Å
117E96.8Very high94.1Very high96 Ų9647.3 Ų47.345%0.44925%0.251SS..Hα-helixtrans-66.4-45179.2-169.654.1-149.300112.1P113 L115 S119 K120 Q121P113-E117 PolarHBondContact O-N 2.86Å; L115-E117 VanDerWaalsContact C-N 3.31Å; L115-E117 PolarHBondContact O-N 3.4Å; E117-S119 VanDerWaalsContact C-N 3.32Å; E117-S119 PolarHBondContact O-N 2.99Å; E117-K120 PolarHBondContact O-N 3.32Å; E117-Q121 WeakPolarHBondContact O-CG 3.43Å; E117-Q121 PolarHBondContact O-N 3.48Å; E117-Q121 VanDerWaalsContact O-N 3.11Å
118Y96.3Very high93.7Very high50 Ų5054.4 Ų54.420%0.19628%0.284CS..Hα-helixtrans-56.8-44.5174.7-178.9-103.9000112.3F40 L41 P42 M59 G114 L115 K120 Q121 C122F40-Y118 PolarHBondContact O-OH 3.46Å; L41-Y118 WeakPolarHBondContact CA-OH 3.18Å; L41-Y118 PolarHBondContact N-OH 3.11Å; P42-Y118 VanDerWaalsContact CD-OH 3.29Å; P42-Y118 WeakPolarHBondContact CD-OH 3.17Å; P42-Y118 VanDerWaalsContact N-OH 3.11Å; M59-Y118 HydrophobicContact CE-CD1 4.31Å; M59-Y118 HydrophobicContact CE-CE1 3.64Å; M59-Y118 HydrophobicContact SD-CD1 3.93Å; M59-Y118 HydrophobicContact SD-CE1 3.86Å; G114-Y118 WeakPolarHBondContact O-CB 3.47Å; G114-Y118 PolarHBondContact O-N 2.74Å; L115-Y118 PolarHBondContact O-N 2.78Å; Y118-K120 VanDerWaalsContact C-N 3.33Å; Y118-K120 PolarHBondContact O-N 2.72Å; Y118-Q121 WeakPolarHBondContact O-CB 3.49Å; Y118-Q121 PolarHBondContact O-N 2.97Å; Y118-Q121 VanDerWaalsContact O-N 3.16Å; Y118-C122 VanDerWaalsContact CE1-SG 3.51Å; Y118-C122 PolarHBondContact O-N 2.88Å; Y118-C122 PolarHBondContact O-SG 2.99Å
119S96.3Very high92.8Very high0 Ų058.8 Ų58.80%031%0.311CS..Hα-helixtrans-62.2-39.1179.370.40000112.6S89 L115 V116 E117 C122 V123 F143S89-S119 VanDerWaalsContact O-CA 3.28Å; S89-S119 WeakPolarHBondContact O-CA 3.28Å; S89-S119 VanDerWaalsContact O-CB 3.25Å; S89-S119 WeakPolarHBondContact O-CB 3.47Å; L115-S119 VanDerWaalsContact O-CB 3.3Å; L115-S119 WeakPolarHBondContact O-CB 3.31Å; L115-S119 PolarHBondContact O-N 3.2Å; L115-S119 PolarHBondContact O-OG 2.89Å; V116-S119 PolarHBondContact O-N 2.8Å; V116-S119 PolarHBondContact O-OG 2.97Å; E117-S119 VanDerWaalsContact C-N 3.32Å; E117-S119 PolarHBondContact O-N 2.99Å; S119-C122 PolarHBondContact O-N 3.44Å; S119-V123 WeakPolarHBondContact O-CG2 3.46Å; S119-V123 PolarHBondContact O-N 3.14Å; S119-F143 VanDerWaalsContact OG-CD2 3.32Å; S119-F143 WeakPolarHBondContact OG-CD2 3.35Å; S119-F143 WeakPolarHBondContact OG-CE2 3.49Å; S119-F143 WeakPolarHBondContact OG-CG 3.23Å
120K97.1Very high91.7Very high97 Ų9760.2 Ų60.242%0.42232%0.321SS..Hα-helixtrans-64-40.8174.8-69.6171.6-177.6173.90111.8V116 E117 Y118 V123 S124 F143V116-K120 WeakPolarHBondContact O-CG 3.32Å; V116-K120 PolarHBondContact O-N 3.22Å; E117-K120 PolarHBondContact O-N 3.32Å; Y118-K120 VanDerWaalsContact C-N 3.33Å; Y118-K120 PolarHBondContact O-N 2.72Å; K120-V123 PolarHBondContact O-N 3.39Å; K120-S124 PolarHBondContact O-N 3.45Å; K120-F143 HydrophobicContact CG-CD2 3.95Å
121Q96.2Very high89.9Confident107 Ų10764.3 Ų64.350%0.535%0.351SS..Hα-helixtrans-63.2-47.7176.7-67.7171.31.200111.3E117 Y118 V123 S124 Q125E117-Q121 WeakPolarHBondContact O-CG 3.43Å; E117-Q121 PolarHBondContact O-N 3.48Å; E117-Q121 VanDerWaalsContact O-N 3.11Å; Y118-Q121 WeakPolarHBondContact O-CB 3.49Å; Y118-Q121 PolarHBondContact O-N 2.97Å; Y118-Q121 VanDerWaalsContact O-N 3.16Å; Q121-V123 VanDerWaalsContact C-N 3.3Å; Q121-V123 PolarHBondContact O-N 3.32Å; Q121-S124 PolarHBondContact O-N 2.8Å; Q121-S124 VanDerWaalsContact O-N 3.16Å; Q121-Q125 PolarHBondContact O-N 2.82Å
122C95.2Very high88.4Confident3 Ų361.6 Ų61.62%0.0234%0.341CS..Hα-helixtrans-57-42.7175.2-70.60000112.2L39 F40 Y118 S119 Q125 M126L39-C122 PolarHBondContact O-SG 2.95Å; F40-C122 HydrophobicContact CD1-CB 3.7Å; F40-C122 HydrophobicContact CE1-CB 3.95Å; F40-C122 HydrophobicContact CG-CB 4.43Å; Y118-C122 VanDerWaalsContact CE1-SG 3.51Å; Y118-C122 PolarHBondContact O-N 2.88Å; Y118-C122 PolarHBondContact O-SG 2.99Å; S119-C122 PolarHBondContact O-N 3.44Å; C122-Q125 PolarHBondContact O-N 3.06Å; C122-M126 VanDerWaalsContact O-CB 3.24Å; C122-M126 WeakPolarHBondContact O-CB 3.21Å; C122-M126 PolarHBondContact O-N 3.21Å
123V94.5Very high87.1Confident12 Ų1256.4 Ų56.47%0.07332%0.319CS..Hα-helixtrans-65.7-41.3176.9174.90000112F40 C94 S119 K120 Q121 M126 L127 P141 F143F40-V123 HydrophobicContact CE1-CG2 4.44Å; C94-V123 VanDerWaalsContact SG-CG2 3.54Å; S119-V123 WeakPolarHBondContact O-CG2 3.46Å; S119-V123 PolarHBondContact O-N 3.14Å; K120-V123 PolarHBondContact O-N 3.39Å; Q121-V123 VanDerWaalsContact C-N 3.3Å; Q121-V123 PolarHBondContact O-N 3.32Å; V123-M126 PolarHBondContact O-N 2.91Å; V123-L127 HydrophobicContact CG1-CD1 3.95Å; V123-L127 HydrophobicContact CG1-CG 4.38Å; V123-L127 WeakPolarHBondContact O-CB 3.35Å; V123-L127 VanDerWaalsContact O-CG 3.27Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 2.87Å; V123-P141 HydrophobicContact CG2-CG 4Å; V123-F143 HydrophobicContact CG2-CE2 3.82Å; V123-F143 HydrophobicContact CG2-CZ 4.21Å
124S93.5Very high85.5Confident58 Ų5862.5 Ų62.541%0.40633%0.329SS..Hα-helixtrans-60.4-50.5175.4-1620000111K120 Q121 M126 L127 E128K120-S124 PolarHBondContact O-N 3.45Å; Q121-S124 PolarHBondContact O-N 2.8Å; Q121-S124 VanDerWaalsContact O-N 3.16Å; S124-M126 VanDerWaalsContact C-N 3.32Å; S124-M126 PolarHBondContact O-N 3.34Å; S124-L127 PolarHBondContact O-N 3.08Å; S124-L127 VanDerWaalsContact O-N 3.14Å; S124-E128 WeakPolarHBondContact O-CG 3.21Å; S124-E128 PolarHBondContact O-N 3.44Å; S124-E128 PolarHBondContact OG-OE1 3.5Å; S124-E128 VanDerWaalsContact OG-OE1 3.09Å
125Q91.7Very high83.8Confident97 Ų9763 Ų6345%0.45332%0.319SS..Hα-helixtrans-60.1-41.8179.1-175.8179.31.400112Q121 C122 E128 T129Q121-Q125 PolarHBondContact O-N 2.82Å; C122-Q125 PolarHBondContact O-N 3.06Å; Q125-E128 PolarHBondContact O-N 3.42Å; Q125-T129 WeakPolarHBondContact O-CB 3.45Å; Q125-T129 PolarHBondContact O-N 2.89Å; Q125-T129 PolarHBondContact O-OG1 3.28Å
126M88.7Confident82.5Confident0 Ų062.4 Ų62.40%032%0.316CS..Hα-helixtrans-61.3-44.9175.6-179.6-171.281.600111.6V35 L39 F40 C94 C122 V123 S124 E128 T129 C130 F133 F138V35-M126 HydrophobicContact CG1-SD 4.08Å; L39-M126 HydrophobicContact CD1-CB 4.1Å; L39-M126 HydrophobicContact CD1-CG 3.99Å; F40-M126 HydrophobicContact CE2-SD 3.96Å; F40-M126 HydrophobicContact CZ-SD 3.63Å; C94-M126 HydrophobicContact CB-CE 4.08Å; C94-M126 HydrophobicContact CB-SD 4.07Å; C122-M126 VanDerWaalsContact O-CB 3.24Å; C122-M126 WeakPolarHBondContact O-CB 3.21Å; C122-M126 PolarHBondContact O-N 3.21Å; V123-M126 PolarHBondContact O-N 2.91Å; S124-M126 VanDerWaalsContact C-N 3.32Å; S124-M126 PolarHBondContact O-N 3.34Å; M126-E128 VanDerWaalsContact C-N 3.3Å; M126-E128 PolarHBondContact O-N 3.17Å; M126-T129 PolarHBondContact O-N 3.2Å; M126-C130 WeakPolarHBondContact O-CB 3.43Å; M126-C130 PolarHBondContact O-N 3.05Å; M126-F133 HydrophobicContact CE-CD2 4.05Å; M126-F133 HydrophobicContact CE-CE1 4.37Å; M126-F133 HydrophobicContact CE-CE2 3.79Å; M126-F133 HydrophobicContact CE-CG 4.46Å; M126-F133 HydrophobicContact CE-CZ 3.96Å; M126-F133 HydrophobicContact CG-CD2 4.13Å; M126-F133 HydrophobicContact CG-CE2 3.27Å; M126-F133 HydrophobicContact CG-CZ 3.79Å; M126-F133 HydrophobicContact SD-CD2 4.5Å; M126-F133 HydrophobicContact SD-CE1 4.39Å; M126-F133 HydrophobicContact SD-CE2 3.65Å; M126-F133 HydrophobicContact SD-CZ 3.58Å; M126-F133 VanDerWaalsContact SD-CZ 3.58Å; M126-F138 HydrophobicContact CE-CE1 3.89Å; M126-F138 HydrophobicContact CE-CE2 4.17Å; M126-F138 HydrophobicContact CE-CZ 3.54Å
127L86.9Confident81.6Confident64 Ų6463 Ų6334%0.33532%0.324SS..Hα-helixtrans-67.9-28.4178.7-73.1173.3000113.3V123 S124 F133 F138V123-L127 HydrophobicContact CG1-CD1 3.95Å; V123-L127 HydrophobicContact CG1-CG 4.38Å; V123-L127 WeakPolarHBondContact O-CB 3.35Å; V123-L127 VanDerWaalsContact O-CG 3.27Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 2.87Å; S124-L127 PolarHBondContact O-N 3.08Å; S124-L127 VanDerWaalsContact O-N 3.14Å; L127-F133 HydrophobicContact CD2-CB 4.28Å; L127-F133 HydrophobicContact CD2-CD2 4.49Å; L127-F138 HydrophobicContact CD2-CD1 3.89Å; L127-F138 HydrophobicContact CD2-CE1 3.81Å
128E85.7Confident81.2Confident150 Ų15059.4 Ų59.470%0.70131%0.307SS*.Hα-helixtrans-74.7-38.6173.7-73.3165.2-151.600111.8S124 Q125 M126S124-E128 WeakPolarHBondContact O-CG 3.21Å; S124-E128 PolarHBondContact O-N 3.44Å; S124-E128 PolarHBondContact OG-OE1 3.5Å; S124-E128 VanDerWaalsContact OG-OE1 3.09Å; Q125-E128 PolarHBondContact O-N 3.42Å; M126-E128 VanDerWaalsContact C-N 3.3Å; M126-E128 PolarHBondContact O-N 3.17Å
129T77.5Confident81Confident93 Ų9358.1 Ų58.157%0.57130%0.304SS*.Hα-helixtrans-81.5-29.7-175.5-50.30000112.5Q125 M126Q125-T129 WeakPolarHBondContact O-CB 3.45Å; Q125-T129 PolarHBondContact O-N 2.89Å; Q125-T129 PolarHBondContact O-OG1 3.28Å; M126-T129 PolarHBondContact O-N 3.2Å
130C69.1Low80.8Confident33 Ų3361 Ų6122%0.22332%0.323CS..  trans-121.799.8-172.7-62.50000111.5M126 S132 F133M126-C130 WeakPolarHBondContact O-CB 3.43Å; M126-C130 PolarHBondContact O-N 3.05Å; C130-S132 PolarHBondContact O-N 3.46Å; C130-F133 HydrophobicContact CB-CD2 3.37Å; C130-F133 HydrophobicContact CB-CE2 3.15Å; C130-F133 HydrophobicContact CB-CZ 4.15Å; C130-F133 WeakPolarHBondContact O-CD2 3.3Å
131S57Low80.8Confident100 Ų10057 Ų5770%0.69931%0.307SS*.G310 helixtrans-67.8-21.3175.3550000113.5F133 R134S131-F133 VanDerWaalsContact C-N 3.3Å; S131-F133 PolarHBondContact O-N 2.86Å; S131-R134 PolarHBondContact O-N 2.58Å
132S61Low80.7Confident43 Ų4357.3 Ų57.330%0.30131%0.308SS..G310 helixtrans-65.9-24.5-176.555.10000114.2C130 R134 L135 L136C130-S132 PolarHBondContact O-N 3.46Å; S132-R134 PolarHBondContact O-N 2.91Å; S132-L135 WeakPolarHBondContact O-CB 3.42Å; S132-L135 PolarHBondContact O-N 3.44Å; S132-L136 PolarHBondContact O-N 3.1Å
133F65.1Low80.7Confident1 Ų158 Ų580%0.00431%0.311CS..G310 helixtrans-61.1-34179.9-70.2-58.4000112.8S34 V35 I98 M126 L127 C130 S131 L135 L136 F138S34-F133 WeakPolarHBondContact O-CZ 3.46Å; V35-F133 HydrophobicContact CG2-CE1 4.29Å; I98-F133 HydrophobicContact CD1-CD1 4.26Å; I98-F133 HydrophobicContact CD1-CE1 3.81Å; I98-F133 HydrophobicContact CG1-CD1 4.34Å; I98-F133 HydrophobicContact CG1-CE1 4.32Å; M126-F133 HydrophobicContact CE-CD2 4.05Å; M126-F133 HydrophobicContact CE-CE1 4.37Å; M126-F133 HydrophobicContact CE-CE2 3.79Å; M126-F133 HydrophobicContact CE-CG 4.46Å; M126-F133 HydrophobicContact CE-CZ 3.96Å; M126-F133 HydrophobicContact CG-CD2 4.13Å; M126-F133 HydrophobicContact CG-CE2 3.27Å; M126-F133 HydrophobicContact CG-CZ 3.79Å; M126-F133 HydrophobicContact SD-CD2 4.5Å; M126-F133 HydrophobicContact SD-CE1 4.39Å; M126-F133 HydrophobicContact SD-CE2 3.65Å; M126-F133 HydrophobicContact SD-CZ 3.58Å; M126-F133 VanDerWaalsContact SD-CZ 3.58Å; L127-F133 HydrophobicContact CD2-CB 4.28Å; L127-F133 HydrophobicContact CD2-CD2 4.49Å; C130-F133 HydrophobicContact CB-CD2 3.37Å; C130-F133 HydrophobicContact CB-CE2 3.15Å; C130-F133 HydrophobicContact CB-CZ 4.15Å; C130-F133 WeakPolarHBondContact O-CD2 3.3Å; S131-F133 VanDerWaalsContact C-N 3.3Å; S131-F133 PolarHBondContact O-N 2.86Å; F133-L135 PolarHBondContact O-N 2.9Å; F133-L136 HydrophobicContact CD1-CD1 4.15Å; F133-L136 PolarHBondContact O-N 3.13Å; F133-L136 VanDerWaalsContact O-N 3.08Å; F133-F138 HydrophobicContact CB-CB 3.89Å; F133-F138 HydrophobicContact CB-CD1 4.11Å; F133-F138 HydrophobicContact CB-CG 4.05Å; F133-F138 HydrophobicContact CD1-CB 4.47Å; F133-F138 HydrophobicContact CD1-CD2 4.27Å; F133-F138 HydrophobicContact CD1-CG 4.27Å; F133-F138 HydrophobicContact CG-CG 4.41Å; F133-F138 WeakPolarHBondContact O-CB 3.29Å; F133-F138 PolarHBondContact O-N 3.26Å
134R60.4Low80.7Confident220 Ų22060.7 Ų60.783%0.8332%0.32SS*.G310 helixtrans-60.2-33176.6-66.2-174.1-176.41714.8112.1S131 S132S131-R134 PolarHBondContact O-N 2.58Å; S132-R134 PolarHBondContact O-N 2.91Å
135L59.5Low80.7Confident64 Ų6461.2 Ų61.234%0.33532%0.323SS..G310 helixtrans-83.3-14.5-178.6-57171.6000112.1S132 F133 G137 R263S132-L135 WeakPolarHBondContact O-CB 3.42Å; S132-L135 PolarHBondContact O-N 3.44Å; F133-L135 PolarHBondContact O-N 2.9Å; L135-G137 VanDerWaalsContact C-N 3.29Å; L135-R263 VanDerWaalsContact CD1-NH2 3.27Å; L135-R263 PolarHBondContact O-NH1 2.89Å
136L67.9Low80.6Confident14 Ų1457.4 Ų57.47%0.07331%0.31CS..G310 helixtrans-87.74.9177.6-65.5176.9000112.8I98 S132 F133 F138 W259 R263I98-L136 HydrophobicContact CD1-CD1 4.13Å; I98-L136 HydrophobicContact CG1-CD1 4.24Å; I98-L136 HydrophobicContact CG2-CB 4.46Å; I98-L136 HydrophobicContact CG2-CD1 4.04Å; S132-L136 PolarHBondContact O-N 3.1Å; F133-L136 HydrophobicContact CD1-CD1 4.15Å; F133-L136 PolarHBondContact O-N 3.13Å; F133-L136 VanDerWaalsContact O-N 3.08Å; L136-F138 PolarHBondContact O-N 2.96Å; L136-W259 HydrophobicContact CD2-CH2 3.32Å; L136-W259 HydrophobicContact CD2-CZ3 3.4Å; L136-R263 VanDerWaalsContact CD2-NH1 3.35Å
137G77.8Confident80.5Confident20 Ų2060.3 Ų60.321%0.20633%0.325CS..THydrogen-bonded Turntrans58.427.1-168.200000112.1A101 N102 L135 V139A101-G137 CarbonylContact C-O 3.58Å; A101-G137 VanDerWaalsContact CA-O 3.27Å; A101-G137 WeakPolarHBondContact CA-O 3.5Å; N102-G137 PolarHBondContact N-O 2.85Å; L135-G137 VanDerWaalsContact C-N 3.29Å; G137-V139 PolarHBondContact O-N 3.08Å
138F87.8Confident80.1Confident22 Ų2258.1 Ų58.110%0.09631%0.314CS..  trans-52.1130.7-174.4173.6-110.8000111C94 I98 M126 L127 F133 L136 P140C94-F138 HydrophobicContact CB-CE2 4.36Å; C94-F138 HydrophobicContact CB-CZ 4.43Å; C94-F138 WeakPolarHBondContact O-CE2 3.22Å; I98-F138 HydrophobicContact CG1-CD2 3.81Å; I98-F138 HydrophobicContact CG1-CE2 4.37Å; M126-F138 HydrophobicContact CE-CE1 3.89Å; M126-F138 HydrophobicContact CE-CE2 4.17Å; M126-F138 HydrophobicContact CE-CZ 3.54Å; L127-F138 HydrophobicContact CD2-CD1 3.89Å; L127-F138 HydrophobicContact CD2-CE1 3.81Å; F133-F138 HydrophobicContact CB-CB 3.89Å; F133-F138 HydrophobicContact CB-CD1 4.11Å; F133-F138 HydrophobicContact CB-CG 4.05Å; F133-F138 HydrophobicContact CD1-CB 4.47Å; F133-F138 HydrophobicContact CD1-CD2 4.27Å; F133-F138 HydrophobicContact CD1-CG 4.27Å; F133-F138 HydrophobicContact CG-CG 4.41Å; F133-F138 WeakPolarHBondContact O-CB 3.29Å; F133-F138 PolarHBondContact O-N 3.26Å; L136-F138 PolarHBondContact O-N 2.96Å; F138-P140 HydrophobicContact CD1-CG 3.9Å; F138-P140 HydrophobicContact CE1-CB 3.86Å; F138-P140 HydrophobicContact CE1-CG 3.71Å; F138-P140 HydrophobicContact CZ-CB 4.49Å; F138-P140 WeakPolarHBondContact O-CD 3.32Å
139V91.9Very high79.7Confident22 Ų2257.4 Ų57.413%0.13331%0.314CS..  trans-102.9102.9175-177.30000108.5G97 V100 G104 N106 G137G97-V139 VanDerWaalsContact CA-O 3.29Å; G97-V139 WeakPolarHBondContact CA-O 3.27Å; G97-V139 PolarHBondContact O-N 3.2Å; V100-V139 HydrophobicContact CG2-CB 3.91Å; V100-V139 HydrophobicContact CG2-CG1 4.48Å; V100-V139 HydrophobicContact CG2-CG2 4.03Å; G104-V139 WeakPolarHBondContact O-CG1 3.48Å; N106-V139 HydrophobicContact CB-CB 4.34Å; N106-V139 HydrophobicContact CB-CG1 3.83Å; N106-V139 PolarHBondContact ND2-O 2.83Å; G137-V139 PolarHBondContact O-N 3.08Å
140P93.2Very high79.6Confident62 Ų6257.5 Ų57.540%0.40331%0.311SS..  trans-59.2136.3178.3-20.831.4000110.9F138F138-P140 HydrophobicContact CD1-CG 3.9Å; F138-P140 HydrophobicContact CE1-CB 3.86Å; F138-P140 HydrophobicContact CE1-CG 3.71Å; F138-P140 HydrophobicContact CZ-CB 4.49Å; F138-P140 WeakPolarHBondContact O-CD 3.32Å
141P95.6Very high79.9Confident12 Ų1256 Ų568%0.07830%0.301CS..  trans-66.9136.8178.726.2-33.7000111.9N106 V123 F143N106-P141 WeakPolarHBondContact O-CA 3.19Å; V123-P141 HydrophobicContact CG2-CG 4Å; P141-F143 HydrophobicContact CB-CE1 3.99Å; P141-F143 HydrophobicContact CB-CE2 4.04Å; P141-F143 HydrophobicContact CB-CZ 3.68Å; P141-F143 HydrophobicContact CG-CD2 4.49Å; P141-F143 HydrophobicContact CG-CE1 4.15Å; P141-F143 HydrophobicContact CG-CE2 3.56Å; P141-F143 HydrophobicContact CG-CZ 3.34Å
142Q95.1Very high80.7Confident113 Ų11357.6 Ų57.653%0.52830%0.297SS..EExtended strand (participates in β ladder)trans-92.5109168.8-64-179.73900109.1N106 V107 G108 Y144N106-Q142 PolarHBondContact O-N 2.9Å; V107-Q142 WeakPolarHBondContact CA-O 3.43Å; G108-Q142 PolarHBondContact N-O 2.76Å; Q142-Y144 HydrophobicContact CB-CE2 4.11Å
143F95.6Very high81.4Confident19 Ų1962.7 Ų62.78%0.08332%0.316CS..EExtended strand (participates in β ladder)trans-90130.8-178.9-60.9-70.9000112.5G108 V116 S119 K120 V123 P141G108-F143 CarbonylContact O-C 3.6Å; G108-F143 WeakPolarHBondContact O-CA 3.38Å; V116-F143 HydrophobicContact CG1-CB 4.05Å; S119-F143 VanDerWaalsContact OG-CD2 3.32Å; S119-F143 WeakPolarHBondContact OG-CD2 3.35Å; S119-F143 WeakPolarHBondContact OG-CE2 3.49Å; S119-F143 WeakPolarHBondContact OG-CG 3.23Å; K120-F143 HydrophobicContact CG-CD2 3.95Å; V123-F143 HydrophobicContact CG2-CE2 3.82Å; V123-F143 HydrophobicContact CG2-CZ 4.21Å; P141-F143 HydrophobicContact CB-CE1 3.99Å; P141-F143 HydrophobicContact CB-CE2 4.04Å; P141-F143 HydrophobicContact CB-CZ 3.68Å; P141-F143 HydrophobicContact CG-CD2 4.49Å; P141-F143 HydrophobicContact CG-CE1 4.15Å; P141-F143 HydrophobicContact CG-CE2 3.56Å; P141-F143 HydrophobicContact CG-CZ 3.34Å
144Y93.4Very high81.9Confident68 Ų6864.2 Ų64.227%0.26732%0.324SS..EExtended strand (participates in β ladder)trans-116.4141173.3-64.5-89000110.4V107 G108 E110 Q142 I154 F155 K158V107-Y144 HydrophobicContact CG1-CD2 3.71Å; V107-Y144 HydrophobicContact CG1-CE2 3.83Å; G108-Y144 PolarHBondContact O-N 3.47Å; E110-Y144 PolarHBondContact N-O 3.38Å; Q142-Y144 HydrophobicContact CB-CE2 4.11Å; Y144-I154 HydrophobicContact CD1-CG2 3.87Å; Y144-I154 HydrophobicContact CD2-CG2 4.45Å; Y144-I154 HydrophobicContact CG-CG2 3.76Å; Y144-F155 HydrophobicContact CD2-CE1 4.3Å; Y144-K158 PolarHBondContact OH-NZ 3.3Å; Y144-K158 VanDerWaalsContact OH-NZ 3.13Å
145C93.4Very high82.7Confident68 Ų6853.7 Ų53.746%0.45929%0.285SS..EExtended strand (participates in β ladder)trans-88.6124.7169.6-169.50000109.1E110 V116E110-C145 CarbonylContact O-C 3.6Å; E110-C145 VanDerWaalsContact O-CA 3.25Å; E110-C145 WeakPolarHBondContact O-CA 3.45Å; V116-C145 HydrophobicContact CG2-CB 3.97Å
146G89.7Confident83.2Confident17 Ų1759.2 Ų59.218%0.17530%0.301CS..  trans173168.8176.700000115.4E110 I111E110-G146 PolarHBondContact O-N 2.91Å; I111-G146 WeakPolarHBondContact CA-O 3.32Å
147N86.7Confident83.3Confident62 Ų6264 Ų6433%0.33232%0.323SS..  trans-97.9146.3175.6-170-43.6000109.7I111 L149 N150I111-N147 HydrophobicContact CD1-CB 4.32Å; N147-L149 PolarHBondContact O-N 3.21Å; N147-L149 VanDerWaalsContact O-N 3.12Å; N147-L149 PolarHBondContact OD1-N 3.31Å; N147-N150 PolarHBondContact O-N 3.31Å
148L79.2Confident83.3Confident18 Ų1866 Ų669%0.09433%0.326CS..G310 helixtrans-48.9-34.4170.1-83.4-179.8000113V85 L109 N150 V151 F167 L169 A173 L176 L177V85-L148 HydrophobicContact CG1-CD1 3.9Å; V85-L148 HydrophobicContact CG1-CD2 3.56Å; V85-L148 HydrophobicContact CG1-CG 3.73Å; V85-L148 HydrophobicContact CG2-CD2 4.16Å; L109-L148 HydrophobicContact CD2-CD2 4.15Å; L148-N150 PolarHBondContact O-N 2.67Å; L148-V151 HydrophobicContact CD2-CG1 3.92Å; L148-V151 VanDerWaalsContact O-CG1 3.32Å; L148-V151 WeakPolarHBondContact O-CG1 3.48Å; L148-V151 WeakPolarHBondContact O-CG2 3.38Å; L148-V151 PolarHBondContact O-N 3.37Å; L148-F167 HydrophobicContact CD1-CE2 3.91Å; L148-F167 HydrophobicContact CD1-CZ 3.79Å; L148-F167 HydrophobicContact CG-CZ 4.45Å; L148-L169 HydrophobicContact CD1-CD2 3.64Å; L148-A173 HydrophobicContact CD1-CB 4.48Å; L148-L176 WeakPolarHBondContact O-CD2 3.5Å; L148-L177 HydrophobicContact CD1-CD1 4.42Å; L148-L177 HydrophobicContact CD2-CD1 4.09Å; L148-L177 HydrophobicContact CD2-CD2 3.67Å; L148-L177 HydrophobicContact CD2-CG 4Å
149L76.3Confident83.3Confident134 Ų13471 Ų7170%0.70235%0.345SS*.G310 helixtrans-65.9-18.5179.2-61.4177.1000114.3N147N147-L149 PolarHBondContact O-N 3.21Å; N147-L149 VanDerWaalsContact O-N 3.12Å; N147-L149 PolarHBondContact OD1-N 3.31Å
150N75.2Confident83.4Confident96 Ų9670 Ų7051%0.51334%0.339SS..G310 helixtrans-11619.1-177.2-59.4-9.1000112N147 L148 E152 E153N147-N150 PolarHBondContact O-N 3.31Å; L148-N150 PolarHBondContact O-N 2.67Å; N150-E152 VanDerWaalsContact C-N 3.29Å; N150-E152 PolarHBondContact O-N 3.33Å; N150-E153 PolarHBondContact O-N 2.83Å
151V76Confident83.4Confident1 Ų168.6 Ų68.61%0.00633%0.328CS..Hα-helixtrans-66.5-26.7-174.2-72.50000114.2L109 L148 E153 I154 F155 L176 F180L109-V151 HydrophobicContact CD2-CG1 3.64Å; L148-V151 HydrophobicContact CD2-CG1 3.92Å; L148-V151 VanDerWaalsContact O-CG1 3.32Å; L148-V151 WeakPolarHBondContact O-CG1 3.48Å; L148-V151 WeakPolarHBondContact O-CG2 3.38Å; L148-V151 PolarHBondContact O-N 3.37Å; V151-E153 PolarHBondContact O-N 3.41Å; V151-I154 PolarHBondContact O-N 3.15Å; V151-I154 VanDerWaalsContact O-N 3.12Å; V151-F155 HydrophobicContact CB-CD2 3.77Å; V151-F155 HydrophobicContact CB-CE2 4.02Å; V151-F155 HydrophobicContact CG1-CD2 4.1Å; V151-F155 HydrophobicContact CG1-CE2 3.8Å; V151-F155 WeakPolarHBondContact O-CB 3.43Å; V151-F155 PolarHBondContact O-N 2.83Å; V151-L176 HydrophobicContact CG2-CD2 4.05Å; V151-L176 HydrophobicContact CG2-CG 4.15Å; V151-F180 HydrophobicContact CB-CE2 4.33Å; V151-F180 HydrophobicContact CB-CZ 4.31Å; V151-F180 HydrophobicContact CG2-CD2 4.29Å; V151-F180 HydrophobicContact CG2-CE2 3.41Å; V151-F180 VanDerWaalsContact CG2-CE2 3.41Å; V151-F180 HydrophobicContact CG2-CZ 3.69Å
152E74.4Confident83.5Confident134 Ų13469 Ų6963%0.62633%0.328SS*.Hα-helixtrans-59.4-35.9177.1-71.3-179.9-174.700112.1N150 R156 F180N150-E152 VanDerWaalsContact C-N 3.29Å; N150-E152 PolarHBondContact O-N 3.33Å; E152-R156 WeakPolarHBondContact O-CA 3.3Å; E152-R156 PolarHBondContact O-N 2.86Å; E152-R156 VanDerWaalsContact O-N 3.15Å; E152-F180 HydrophobicContact CB-CZ 4.36Å; E152-F180 HydrophobicContact CG-CE2 4.46Å; E152-F180 HydrophobicContact CG-CZ 3.73Å
153E76.2Confident83.5Confident150 Ų15063.6 Ų63.670%0.70130%0.303SS*.Hα-helixtrans-72.2-39.8176-169176.3-175.700111.4N150 V151N150-E153 PolarHBondContact O-N 2.83Å; V151-E153 PolarHBondContact O-N 3.41Å
154I73.9Confident83.5Confident32 Ų3263 Ų6316%0.16430%0.3CS..Hα-helixtrans-74.4-38.6-176.3-55.6172.3000111.6L109 Y144 V151 K158L109-I154 HydrophobicContact CD1-CD1 3.79Å; L109-I154 HydrophobicContact CD1-CG2 4.41Å; Y144-I154 HydrophobicContact CD1-CG2 3.87Å; Y144-I154 HydrophobicContact CD2-CG2 4.45Å; Y144-I154 HydrophobicContact CG-CG2 3.76Å; V151-I154 PolarHBondContact O-N 3.15Å; V151-I154 VanDerWaalsContact O-N 3.12Å; I154-K158 PolarHBondContact O-NZ 3.45Å
155F77.9Confident83.5Confident0 Ų059.7 Ų59.70%029%0.288CS..THydrogen-bonded Turntrans-110.822-172.8-56.8-35000113.3L83 V107 L109 Y144 V151 E157 K158 F160 F180L83-F155 HydrophobicContact CD1-CE1 4.19Å; L83-F155 HydrophobicContact CD1-CE2 3.9Å; L83-F155 HydrophobicContact CD1-CZ 3.47Å; L83-F155 VanDerWaalsContact CD1-CZ 3.47Å; L83-F155 HydrophobicContact CD2-CD2 4.34Å; L83-F155 HydrophobicContact CD2-CE2 3.71Å; L83-F155 HydrophobicContact CD2-CZ 4.18Å; L83-F155 HydrophobicContact CG-CE2 4.49Å; L83-F155 HydrophobicContact CG-CZ 4.5Å; V107-F155 HydrophobicContact CG1-CE1 3.67Å; V107-F155 HydrophobicContact CG1-CZ 4.2Å; L109-F155 HydrophobicContact CB-CZ 4.09Å; L109-F155 HydrophobicContact CD1-CZ 4.17Å; L109-F155 HydrophobicContact CD2-CE2 4.14Å; L109-F155 HydrophobicContact CD2-CZ 4.12Å; L109-F155 HydrophobicContact CG-CZ 4.37Å; Y144-F155 HydrophobicContact CD2-CE1 4.3Å; V151-F155 HydrophobicContact CB-CD2 3.77Å; V151-F155 HydrophobicContact CB-CE2 4.02Å; V151-F155 HydrophobicContact CG1-CD2 4.1Å; V151-F155 HydrophobicContact CG1-CE2 3.8Å; V151-F155 WeakPolarHBondContact O-CB 3.43Å; V151-F155 PolarHBondContact O-N 2.83Å; F155-E157 PolarHBondContact O-N 3.02Å; F155-K158 HydrophobicContact CB-CB 4.21Å; F155-K158 HydrophobicContact CD1-CD 4.18Å; F155-K158 WeakPolarHBondContact O-CB 3.22Å; F155-K158 PolarHBondContact O-N 2.77Å; F155-F160 HydrophobicContact CD1-CE2 4.39Å; F155-F160 HydrophobicContact CD1-CZ 4.33Å; F155-F160 HydrophobicContact CD2-CE2 4.23Å; F155-F160 HydrophobicContact CG-CE2 4.14Å; F155-F180 HydrophobicContact CB-CD1 4.02Å; F155-F180 HydrophobicContact CB-CE1 3.86Å
156R69.9Low83.1Confident179 Ų17957.9 Ų57.968%0.67528%0.28SS*.THydrogen-bonded Turntrans-46118.3174.1-171.6178.1-71173.9-0.3110.2E152 K158E152-R156 WeakPolarHBondContact O-CA 3.3Å; E152-R156 PolarHBondContact O-N 2.86Å; E152-R156 VanDerWaalsContact O-N 3.15Å; R156-K158 PolarHBondContact O-N 3.12Å
157E69.7Low82.7Confident115 Ų11561.4 Ų61.454%0.53729%0.291SS..THydrogen-bonded Turntrans67.111.9179.8-54.6164.3177.800116.3F155 R304F155-E157 PolarHBondContact O-N 3.02Å; E157-R304 IonicContact OE1-CZ 3Å; E157-R304 IonicContact OE1-NH1 3.68Å; E157-R304 PolarHBondContact OE1-NH1 2.91Å; E157-R304 VanDerWaalsContact OE1-NH1 3.15Å; E157-R304 IonicContact OE1-NH2 2.76Å; E157-R304 PolarHBondContact OE1-NH2 3.38Å; E157-R304 IonicContact OE2-CZ 3.46Å; E157-R304 IonicContact OE2-NE 3.15Å; E157-R304 PolarHBondContact OE2-NE 3.46Å; E157-R304 IonicContact OE2-NH1 2.65Å; E157-R304 IonicContact OE2-NH2 3.1Å; E157-R304 PolarHBondContact OE2-NH2 2.88Å
158K78.8Confident82.5Confident62 Ų6262.9 Ų62.927%0.2730%0.296SS..  trans-96.8135.7171.6-58.9178.5-168.21420109.1Y144 I154 F155 R156 F160Y144-K158 PolarHBondContact OH-NZ 3.3Å; Y144-K158 VanDerWaalsContact OH-NZ 3.13Å; I154-K158 PolarHBondContact O-NZ 3.45Å; F155-K158 HydrophobicContact CB-CB 4.21Å; F155-K158 HydrophobicContact CD1-CD 4.18Å; F155-K158 WeakPolarHBondContact O-CB 3.22Å; F155-K158 PolarHBondContact O-N 2.77Å; R156-K158 PolarHBondContact O-N 3.12Å; K158-F160 HydrophobicContact CB-CE2 4.26Å; K158-F160 HydrophobicContact CB-CZ 4.21Å
159Y87.2Confident82.5Confident128 Ų12862.5 Ų62.550%0.50229%0.293SS..  trans-127.8143.1173-63.6-85000108.9H81H81-Y159 WeakPolarHBondContact CB-O 3.4Å; H81-Y159 PolarHBondContact ND1-O 2.77Å; H81-Y159 VanDerWaalsContact ND1-O 3.15Å
160F93.6Very high82.7Confident1 Ų161 Ų610%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-118.5144.4-179-56.8-79.1000108.9H81 L83 I105 V107 F155 K158 I163 F180 L181 R182H81-F160 HydrophobicContact CB-CD1 4.29Å; H81-F160 CarbonylContact O-C 3.32Å; H81-F160 WeakPolarHBondContact O-CA 3.47Å; H81-F160 WeakPolarHBondContact O-CB 3.37Å; L83-F160 HydrophobicContact CB-CB 4.29Å; L83-F160 HydrophobicContact CB-CD1 3.64Å; L83-F160 HydrophobicContact CB-CD2 3.83Å; L83-F160 HydrophobicContact CB-CE1 3.82Å; L83-F160 HydrophobicContact CB-CE2 4.01Å; L83-F160 HydrophobicContact CB-CG 3.64Å; L83-F160 HydrophobicContact CB-CZ 3.99Å; L83-F160 HydrophobicContact CD1-CE2 4.42Å; L83-F160 HydrophobicContact CD1-CZ 4.22Å; L83-F160 HydrophobicContact CD2-CD2 3.89Å; L83-F160 HydrophobicContact CD2-CE2 3.83Å; L83-F160 HydrophobicContact CD2-CZ 4.42Å; L83-F160 HydrophobicContact CG-CD2 4.42Å; L83-F160 HydrophobicContact CG-CE2 4.3Å; L83-F160 HydrophobicContact CG-CZ 4.43Å; I105-F160 HydrophobicContact CG2-CE1 4.29Å; V107-F160 HydrophobicContact CB-CE1 3.86Å; V107-F160 HydrophobicContact CB-CZ 4.05Å; V107-F160 HydrophobicContact CG1-CZ 4.28Å; V107-F160 HydrophobicContact CG2-CE1 3.82Å; V107-F160 HydrophobicContact CG2-CZ 4.08Å; F155-F160 HydrophobicContact CD1-CE2 4.39Å; F155-F160 HydrophobicContact CD1-CZ 4.33Å; F155-F160 HydrophobicContact CD2-CE2 4.23Å; F155-F160 HydrophobicContact CG-CE2 4.14Å; K158-F160 HydrophobicContact CB-CE2 4.26Å; K158-F160 HydrophobicContact CB-CZ 4.21Å; F160-I163 HydrophobicContact CB-CD1 4.23Å; F160-I163 HydrophobicContact CB-CG1 3.83Å; F160-F180 HydrophobicContact CD2-CB 4.4Å; F160-F180 PolarHBondContact N-O 3.42Å; F160-L181 CarbonylContact O-C 3.42Å; F160-L181 WeakPolarHBondContact O-CA 3.26Å; F160-R182 PolarHBondContact O-N 3.18Å
161N94.5Very high83.1Confident31 Ų3161.1 Ų61.117%0.16630%0.295CS..EExtended strand (participates in β ladder)trans-103.5-10.6169.363.7-49.8000111.5D80 H81 R182 G185 I186D80-N161 PolarHBondContact OD1-ND2 2.82Å; H81-N161 WeakPolarHBondContact CA-OD1 3.12Å; H81-N161 WeakPolarHBondContact CB-OD1 3.49Å; H81-N161 PolarHBondContact N-OD1 3.38Å; H81-N161 PolarHBondContact O-N 3.33Å; H81-N161 PolarHBondContact O-OD1 3.02Å; N161-R182 HydrophobicContact CB-CB 4.35Å; N161-G185 CarbonylContact O-C 3.47Å; N161-G185 WeakPolarHBondContact O-CA 3.45Å; N161-I186 PolarHBondContact O-N 3.31Å
162K97Very high83.5Confident20 Ų2065.9 Ų65.99%0.08732%0.324CS..EExtended strand (participates in β ladder)trans-133.6122.6176.3-54.8-69.4-170.8175.20108.7L74 Q75 L76 D80 H81 F82 L83 I186L74-K162 HydrophobicContact CD2-CB 4.39Å; L74-K162 WeakPolarHBondContact O-CD 3.3Å; L74-K162 WeakPolarHBondContact O-CE 3.38Å; L74-K162 PolarHBondContact O-NZ 3.41Å; Q75-K162 PolarHBondContact O-NZ 2.81Å; L76-K162 HydrophobicContact CD2-CB 3.71Å; L76-K162 HydrophobicContact CD2-CG 3.81Å; D80-K162 HydrophobicContact CB-CG 4.17Å; D80-K162 WeakPolarHBondContact OD2-CE 3.12Å; D80-K162 WeakPolarHBondContact OD2-CG 3.12Å; H81-K162 PolarHBondContact O-N 2.79Å; F82-K162 CarbonylContact C-O 3.6Å; F82-K162 VanDerWaalsContact CA-O 3.27Å; F82-K162 WeakPolarHBondContact CA-O 3.31Å; F82-K162 HydrophobicContact CD2-CB 3.94Å; F82-K162 WeakPolarHBondContact CD2-O 3.32Å; L83-K162 PolarHBondContact N-O 2.85Å; K162-I186 CarbonylContact C-O 3.55Å; K162-I186 WeakPolarHBondContact CA-O 3.49Å; K162-I186 HydrophobicContact CD-CB 4.35Å
163I95.5Very high84Confident0 Ų060.3 Ų60.30%030%0.301CS..EExtended strand (participates in β ladder)trans-127.5132.1177.4-54.2178000108.4L74 L83 V85 F160 L181 I186 L187 V188L74-I163 WeakPolarHBondContact CD2-O 3.48Å; L83-I163 HydrophobicContact CB-CG1 4.21Å; L83-I163 HydrophobicContact CB-CG2 4.28Å; L83-I163 HydrophobicContact CD2-CD1 4.47Å; L83-I163 HydrophobicContact CD2-CG2 4.14Å; L83-I163 HydrophobicContact CG-CG2 4.26Å; L83-I163 CarbonylContact O-C 3.35Å; L83-I163 WeakPolarHBondContact O-CA 3.32Å; V85-I163 HydrophobicContact CG2-CG2 4.23Å; F160-I163 HydrophobicContact CB-CD1 4.23Å; F160-I163 HydrophobicContact CB-CG1 3.83Å; I163-L181 HydrophobicContact CD1-CB 4.2Å; I163-L181 HydrophobicContact CD1-CD1 3.82Å; I163-L181 HydrophobicContact CG1-CD1 3.85Å; I163-I186 PolarHBondContact N-O 3.4Å; I163-L187 HydrophobicContact CB-CB 4.2Å; I163-L187 HydrophobicContact CB-CD1 3.68Å; I163-L187 HydrophobicContact CG2-CD1 3.46Å; I163-L187 VanDerWaalsContact CG2-CD1 3.46Å; I163-L187 CarbonylContact O-C 3.56Å; I163-L187 VanDerWaalsContact O-CA 3.24Å; I163-L187 WeakPolarHBondContact O-CA 3.42Å; I163-V188 PolarHBondContact O-N 3.4Å
164Y95.8Very high84.4Confident6 Ų654.1 Ų54.12%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-115.8139.1166.7171.1-121000109.3Y67 V70 L83 N84 V85 F92 V188Y67-Y164 HydrophobicContact CE1-CE1 4.26Å; V70-Y164 HydrophobicContact CB-CD2 4.41Å; V70-Y164 HydrophobicContact CB-CE2 4.29Å; V70-Y164 HydrophobicContact CG1-CD2 3.42Å; V70-Y164 VanDerWaalsContact CG1-CD2 3.42Å; V70-Y164 HydrophobicContact CG1-CE2 3.74Å; V70-Y164 HydrophobicContact CG1-CG 3.87Å; V70-Y164 HydrophobicContact CG2-CD2 4.04Å; V70-Y164 HydrophobicContact CG2-CE2 3.52Å; L83-Y164 PolarHBondContact O-N 2.93Å; N84-Y164 VanDerWaalsContact OD1-CD1 3.26Å; N84-Y164 WeakPolarHBondContact OD1-CD1 3.46Å; V85-Y164 PolarHBondContact N-O 3.46Å; F92-Y164 AromaticContact CD1-CD1 3.41Å; F92-Y164 HydrophobicContact CD1-CD1 3.41Å; F92-Y164 VanDerWaalsContact CD1-CD1 3.41Å; F92-Y164 AromaticContact CD1-CE1 3.74Å; F92-Y164 HydrophobicContact CD1-CE1 3.74Å; F92-Y164 HydrophobicContact CD1-CG 4.28Å; F92-Y164 AromaticContact CE1-CD1 3.4Å; F92-Y164 HydrophobicContact CE1-CD1 3.4Å; F92-Y164 AromaticContact CE1-CE1 3.98Å; F92-Y164 HydrophobicContact CE1-CE1 3.98Å; F92-Y164 AromaticContact CE1-CG 3.81Å; F92-Y164 HydrophobicContact CE1-CG 3.81Å; F92-Y164 HydrophobicContact CG-CD1 4.46Å; F92-Y164 HydrophobicContact CG-CE1 4.41Å; F92-Y164 HydrophobicContact CZ-CD1 4.46Å; Y164-V188 CarbonylContact C-O 3.46Å; Y164-V188 WeakPolarHBondContact CA-O 3.29Å; Y164-V188 HydrophobicContact CD2-CB 4.5Å; Y164-V188 WeakPolarHBondContact CD2-O 3.49Å
165C91.5Very high84.9Confident0 Ų058.6 Ų58.60%029%0.291CS..EExtended strand (participates in β ladder)trans-120.1123.6168.7-172.40000109.7V85 F167 L169 V188 P190V85-C165 HydrophobicContact CB-CB 4.17Å; V85-C165 WeakPolarHBondContact O-CA 3.39Å; C165-F167 PolarHBondContact O-N 3.38Å; C165-F167 VanDerWaalsContact SG-CE1 3.57Å; C165-F167 WeakPolarHBondContact SG-CE2 3.44Å; C165-F167 WeakPolarHBondContact SG-CZ 3.42Å; C165-F167 PolarHBondContact SG-O 3.37Å; C165-F167 VanDerWaalsContact SG-O 3.38Å; C165-L169 HydrophobicContact CB-CD1 3.8Å; C165-L169 HydrophobicContact CB-CD2 4.46Å; C165-L169 HydrophobicContact CB-CG 4.12Å; C165-L169 VanDerWaalsContact SG-CD2 3.58Å; C165-V188 PolarHBondContact N-O 3.49Å; C165-P190 WeakPolarHBondContact O-CD 3.43Å
166G85.4Confident85.3Confident29 Ų2960.3 Ų60.330%0.29930%0.3SS..SBendtrans-74.21.8-177.800000115.3V85V85-G166 PolarHBondContact O-N 3.16Å
167F82.7Confident86.1Confident91 Ų9151.8 Ų51.840%0.39927%0.267SS..SBendtrans-141163.8-178.654.1-93.4000110.7V85 L148 C165 L169 T189 P190V85-F167 HydrophobicContact CG1-CE1 3.86Å; V85-F167 HydrophobicContact CG1-CZ 3.67Å; L148-F167 HydrophobicContact CD1-CE2 3.91Å; L148-F167 HydrophobicContact CD1-CZ 3.79Å; L148-F167 HydrophobicContact CG-CZ 4.45Å; C165-F167 PolarHBondContact O-N 3.38Å; C165-F167 VanDerWaalsContact SG-CE1 3.57Å; C165-F167 WeakPolarHBondContact SG-CE2 3.44Å; C165-F167 WeakPolarHBondContact SG-CZ 3.42Å; C165-F167 PolarHBondContact SG-O 3.37Å; C165-F167 VanDerWaalsContact SG-O 3.38Å; F167-L169 HydrophobicContact CD2-CD2 4.13Å; F167-L169 HydrophobicContact CE2-CD2 3.64Å; F167-L169 HydrophobicContact CZ-CD2 4.46Å; F167-T189 PolarHBondContact O-OG1 3.34Å; F167-P190 VanDerWaalsContact C-CG 3.47Å; F167-P190 WeakPolarHBondContact O-CD 3.31Å
168E81.2Confident86.8Confident94 Ų9446.3 Ų46.344%0.43924%0.242SC..  trans-67.7133.2-179.6-178.8175.5175.400111.2P190 W191 L192E168-P190 VanDerWaalsContact CA-O 3.31Å; E168-P190 WeakPolarHBondContact CA-O 3.24Å; E168-W191 VanDerWaalsContact OE1-CD1 3.3Å; E168-L192 PolarHBondContact OE2-N 3.17Å
169L80.6Confident87.2Confident9 Ų948.4 Ų48.45%0.04725%0.253CS..  trans-104.3135.6176.9-64175.1000110.8L148 C165 F167 A173 I174 L177 L187 T189L148-L169 HydrophobicContact CD1-CD2 3.64Å; C165-L169 HydrophobicContact CB-CD1 3.8Å; C165-L169 HydrophobicContact CB-CD2 4.46Å; C165-L169 HydrophobicContact CB-CG 4.12Å; C165-L169 VanDerWaalsContact SG-CD2 3.58Å; F167-L169 HydrophobicContact CD2-CD2 4.13Å; F167-L169 HydrophobicContact CE2-CD2 3.64Å; F167-L169 HydrophobicContact CZ-CD2 4.46Å; L169-A173 HydrophobicContact CB-CB 4.29Å; L169-A173 HydrophobicContact CD2-CB 3.82Å; L169-I174 HydrophobicContact CB-CD1 4.36Å; L169-I174 HydrophobicContact CB-CG1 3.68Å; L169-I174 HydrophobicContact CD1-CG1 4.24Å; L169-L177 HydrophobicContact CD1-CD1 3.59Å; L169-L177 HydrophobicContact CD2-CD1 4.45Å; L169-L187 HydrophobicContact CD1-CD1 4.42Å; L169-L187 HydrophobicContact CD1-CD2 4.39Å; L169-T189 HydrophobicContact CB-CG2 4.42Å; L169-T189 HydrophobicContact CD1-CG2 4.11Å; L169-T189 HydrophobicContact CG-CG2 4.43Å
170N80.7Confident87.2Confident103 Ų10343.2 Ų43.255%0.55123%0.233SC*.  trans-75.5168.9165.567.223.7000110.7T172 A173 I174N170-T172 VanDerWaalsContact C-N 3.28Å; N170-T172 PolarHBondContact O-N 3.28Å; N170-T172 PolarHBondContact OD1-N 3.3Å; N170-A173 PolarHBondContact O-N 3.48Å; N170-A173 VanDerWaalsContact O-N 3.16Å; N170-A173 WeakPolarHBondContact OD1-CB 3.31Å; N170-A173 PolarHBondContact OD1-N 3.23Å; N170-I174 WeakPolarHBondContact O-CG1 2.94Å; N170-I174 PolarHBondContact O-N 3.01Å
171S82.9Confident87Confident99 Ų9943.2 Ų43.269%0.69223%0.233SC*.Hα-helixtrans-56.7-39.7-179.349.90000113.1I174 F175S171-I174 PolarHBondContact O-N 3.43Å; S171-F175 WeakPolarHBondContact O-CB 3.26Å; S171-F175 PolarHBondContact O-N 2.91Å
172T84.1Confident86.8Confident100 Ų10046.5 Ų46.561%0.61324%0.243SC*.Hα-helixtrans-61.3-44.5177.1-51.70000112N170 F175 L176N170-T172 VanDerWaalsContact C-N 3.28Å; N170-T172 PolarHBondContact O-N 3.28Å; N170-T172 PolarHBondContact OD1-N 3.3Å; T172-F175 PolarHBondContact O-N 3.35Å; T172-L176 WeakPolarHBondContact O-CB 3.4Å; T172-L176 PolarHBondContact O-N 2.85Å
173A84.2Confident86.4Confident17 Ų1748.8 Ų48.814%0.1426%0.26CS..Hα-helixtrans-72.8-34.2-179.900000112.4L148 L169 N170 L176 L177L148-A173 HydrophobicContact CD1-CB 4.48Å; L169-A173 HydrophobicContact CB-CB 4.29Å; L169-A173 HydrophobicContact CD2-CB 3.82Å; N170-A173 PolarHBondContact O-N 3.48Å; N170-A173 VanDerWaalsContact O-N 3.16Å; N170-A173 WeakPolarHBondContact OD1-CB 3.31Å; N170-A173 PolarHBondContact OD1-N 3.23Å; A173-L176 PolarHBondContact O-N 3.01Å; A173-L177 PolarHBondContact O-N 3.38Å
174I84.6Confident86.1Confident20 Ų2054.5 Ų54.510%0.10329%0.29CS..Hα-helixtrans-61-48.1170.4-68.1172.4000110L169 N170 S171 L177 S178 L187 V213L169-I174 HydrophobicContact CB-CD1 4.36Å; L169-I174 HydrophobicContact CB-CG1 3.68Å; L169-I174 HydrophobicContact CD1-CG1 4.24Å; N170-I174 WeakPolarHBondContact O-CG1 2.94Å; N170-I174 PolarHBondContact O-N 3.01Å; S171-I174 PolarHBondContact O-N 3.43Å; I174-L177 PolarHBondContact O-N 3.24Å; I174-S178 WeakPolarHBondContact O-CB 3.46Å; I174-S178 PolarHBondContact O-N 3.35Å; I174-L187 HydrophobicContact CG2-CD2 4.36Å; I174-V213 HydrophobicContact CG2-CG1 4.14Å; I174-V213 HydrophobicContact CG2-CG2 4.07Å
175F85.6Confident85.9Confident126 Ų12654.2 Ų54.255%0.55329%0.29SS*.Hα-helixtrans-59.7-48177.7-176.5-98.4000111.1S171 T172 L177 S178 E179 I221S171-F175 WeakPolarHBondContact O-CB 3.26Å; S171-F175 PolarHBondContact O-N 2.91Å; T172-F175 PolarHBondContact O-N 3.35Å; F175-L177 PolarHBondContact O-N 2.75Å; F175-S178 WeakPolarHBondContact O-CB 3.47Å; F175-S178 PolarHBondContact O-N 2.94Å; F175-S178 VanDerWaalsContact O-N 3.12Å; F175-S178 PolarHBondContact O-OG 2.92Å; F175-E179 PolarHBondContact O-N 2.98Å; F175-I221 HydrophobicContact CD2-CD1 4.32Å
176L85.6Confident86.1Confident36 Ų3654.8 Ų54.819%0.18829%0.293CS..Hα-helixtrans-57.5-46.6177.3-175.567.2000112.8L148 V151 T172 A173 S178 E179 F180L148-L176 WeakPolarHBondContact O-CD2 3.5Å; V151-L176 HydrophobicContact CG2-CD2 4.05Å; V151-L176 HydrophobicContact CG2-CG 4.15Å; T172-L176 WeakPolarHBondContact O-CB 3.4Å; T172-L176 PolarHBondContact O-N 2.85Å; A173-L176 PolarHBondContact O-N 3.01Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 2.91Å; L176-E179 PolarHBondContact O-N 2.77Å; L176-F180 VanDerWaalsContact O-CD2 3.27Å; L176-F180 WeakPolarHBondContact O-CD2 3.47Å
177L86.4Confident86.4Confident0 Ų053.4 Ų53.40%028%0.278CS..Hα-helixtrans-69.1-29.5177.6-77.5175.1000113L83 V85 L148 L169 A173 I174 F175 E179 F180 L181 L187L83-L177 HydrophobicContact CD2-CD2 4.27Å; V85-L177 HydrophobicContact CG2-CD1 4.33Å; V85-L177 HydrophobicContact CG2-CD2 4.18Å; L148-L177 HydrophobicContact CD1-CD1 4.42Å; L148-L177 HydrophobicContact CD2-CD1 4.09Å; L148-L177 HydrophobicContact CD2-CD2 3.67Å; L148-L177 HydrophobicContact CD2-CG 4Å; L169-L177 HydrophobicContact CD1-CD1 3.59Å; L169-L177 HydrophobicContact CD2-CD1 4.45Å; A173-L177 PolarHBondContact O-N 3.38Å; I174-L177 PolarHBondContact O-N 3.24Å; F175-L177 PolarHBondContact O-N 2.75Å; L177-E179 PolarHBondContact O-N 3.38Å; L177-F180 PolarHBondContact O-N 2.94Å; L177-F180 VanDerWaalsContact O-N 3.16Å; L177-L181 PolarHBondContact O-N 3.17Å; L177-L187 HydrophobicContact CB-CD2 4.26Å; L177-L187 HydrophobicContact CD1-CD1 4.24Å
178S85.6Confident86.9Confident1 Ų149.1 Ų49.11%0.00726%0.259CS..Hα-helixtrans-65.4-24.8177.279.30000113I174 F175 L176 F180 L181 K215 I221I174-S178 WeakPolarHBondContact O-CB 3.46Å; I174-S178 PolarHBondContact O-N 3.35Å; F175-S178 WeakPolarHBondContact O-CB 3.47Å; F175-S178 PolarHBondContact O-N 2.94Å; F175-S178 VanDerWaalsContact O-N 3.12Å; F175-S178 PolarHBondContact O-OG 2.92Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 2.91Å; S178-F180 VanDerWaalsContact C-N 3.32Å; S178-F180 PolarHBondContact O-N 2.77Å; S178-L181 WeakPolarHBondContact O-CB 3.48Å; S178-L181 PolarHBondContact O-N 2.79Å; S178-K215 PolarHBondContact O-NZ 2.84Å; S178-I221 VanDerWaalsContact CB-CD1 3.48Å; S178-I221 WeakPolarHBondContact OG-CD1 2.88Å
179E85.8Confident87.3Confident105 Ų10544.6 Ų44.649%0.49124%0.239SC..Hα-helixtrans-66.7-33173.7-65.8-58.410600112.1F175 L176 L177F175-E179 PolarHBondContact O-N 2.98Å; L176-E179 PolarHBondContact O-N 2.77Å; L177-E179 PolarHBondContact O-N 3.38Å
180F87.9Confident87Confident19 Ų1944.6 Ų44.68%0.08324%0.239CC..Hα-helixtrans-84.8-11.4175.2-60.4-85.1000113.5V151 E152 F155 F160 L176 L177 S178V151-F180 HydrophobicContact CB-CE2 4.33Å; V151-F180 HydrophobicContact CB-CZ 4.31Å; V151-F180 HydrophobicContact CG2-CD2 4.29Å; V151-F180 HydrophobicContact CG2-CE2 3.41Å; V151-F180 VanDerWaalsContact CG2-CE2 3.41Å; V151-F180 HydrophobicContact CG2-CZ 3.69Å; E152-F180 HydrophobicContact CB-CZ 4.36Å; E152-F180 HydrophobicContact CG-CE2 4.46Å; E152-F180 HydrophobicContact CG-CZ 3.73Å; F155-F180 HydrophobicContact CB-CD1 4.02Å; F155-F180 HydrophobicContact CB-CE1 3.86Å; F160-F180 HydrophobicContact CD2-CB 4.4Å; F160-F180 PolarHBondContact N-O 3.42Å; L176-F180 VanDerWaalsContact O-CD2 3.27Å; L176-F180 WeakPolarHBondContact O-CD2 3.47Å; L177-F180 PolarHBondContact O-N 2.94Å; L177-F180 VanDerWaalsContact O-N 3.16Å; S178-F180 VanDerWaalsContact C-N 3.32Å; S178-F180 PolarHBondContact O-N 2.77Å
181L89.8Confident86.4Confident2 Ų242.5 Ų42.51%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-80.1126.9178.1-163.862.1000109.5F160 I163 L177 S178 L187 K215F160-L181 CarbonylContact O-C 3.42Å; F160-L181 WeakPolarHBondContact O-CA 3.26Å; I163-L181 HydrophobicContact CD1-CB 4.2Å; I163-L181 HydrophobicContact CD1-CD1 3.82Å; I163-L181 HydrophobicContact CG1-CD1 3.85Å; L177-L181 PolarHBondContact O-N 3.17Å; S178-L181 WeakPolarHBondContact O-CB 3.48Å; S178-L181 PolarHBondContact O-N 2.79Å; L181-L187 HydrophobicContact CD2-CB 4.05Å; L181-K215 HydrophobicContact CB-CD 4.29Å; L181-K215 HydrophobicContact CD2-CB 3.96Å; L181-K215 HydrophobicContact CG-CB 4.21Å; L181-K215 WeakPolarHBondContact O-CD 3.47Å; L181-K215 PolarHBondContact O-NZ 3.21Å
182R91Very high85Confident99 Ų9941.2 Ų41.237%0.37421%0.208SC..EExtended strand (participates in β ladder)trans-65.8156.4173-69.4-173.1173.5172.2-0.5110.7H81 F160 N161 N184 G185H81-R182 PolarHBondContact CE1-NH2 3.02Å; F160-R182 PolarHBondContact O-N 3.18Å; N161-R182 HydrophobicContact CB-CB 4.35Å; R182-N184 PolarHBondContact O-N 3.48Å; R182-G185 WeakPolarHBondContact O-CA 3.37Å; R182-G185 PolarHBondContact O-N 3.03Å
183P86.9Confident83.3Confident69 Ų6942.8 Ų42.845%0.44820%0.203SC..EExtended strand (participates in β ladder)trans-50.3139.5165.4-2534.5000111G185P183-G185 PolarHBondContact O-N 2.98Å
184N89.1Confident81.4Confident119 Ų11950.1 Ų50.164%0.63623%0.227SC*.EExtended strand (participates in β ladder)trans648-170.4-53.2-45.3000115.7R182 K215R182-N184 PolarHBondContact O-N 3.48Å; N184-K215 WeakPolarHBondContact CA-O 3.5Å; N184-K215 PolarHBondContact N-O 3.46Å
185G92.7Very high79.5Confident1 Ų152.1 Ų52.11%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-71.6157.3175.900000112.8N161 R182 P183 K214 K215N161-G185 CarbonylContact O-C 3.47Å; N161-G185 WeakPolarHBondContact O-CA 3.45Å; R182-G185 WeakPolarHBondContact O-CA 3.37Å; R182-G185 PolarHBondContact O-N 3.03Å; P183-G185 PolarHBondContact O-N 2.98Å; G185-K214 WeakPolarHBondContact O-CA 3.48Å; G185-K215 PolarHBondContact O-N 2.86Å
186I94.5Very high77.2Confident12 Ų1252.4 Ų52.46%0.06225%0.247CC..EExtended strand (participates in β ladder)trans-120127.8-179.6-52.8179.5000109.4N161 K162 I163 V188 V212 V213 K214N161-I186 PolarHBondContact O-N 3.31Å; K162-I186 CarbonylContact C-O 3.55Å; K162-I186 WeakPolarHBondContact CA-O 3.49Å; K162-I186 HydrophobicContact CD-CB 4.35Å; I163-I186 PolarHBondContact N-O 3.4Å; I186-V188 HydrophobicContact CG2-CG2 3.96Å; I186-V212 HydrophobicContact CG2-CG1 3.88Å; I186-V213 CarbonylContact C-O 3.53Å; I186-V213 WeakPolarHBondContact CA-O 3.37Å; I186-K214 HydrophobicContact CG1-CG 4.43Å
187L93.4Very high74.8Confident0 Ų058 Ų580%027%0.272CS..EExtended strand (participates in β ladder)trans-110.6127.2167.1160.272.9000108.8I163 L169 I174 L177 L181 V213I163-L187 HydrophobicContact CB-CB 4.2Å; I163-L187 HydrophobicContact CB-CD1 3.68Å; I163-L187 HydrophobicContact CG2-CD1 3.46Å; I163-L187 VanDerWaalsContact CG2-CD1 3.46Å; I163-L187 CarbonylContact O-C 3.56Å; I163-L187 VanDerWaalsContact O-CA 3.24Å; I163-L187 WeakPolarHBondContact O-CA 3.42Å; L169-L187 HydrophobicContact CD1-CD1 4.42Å; L169-L187 HydrophobicContact CD1-CD2 4.39Å; I174-L187 HydrophobicContact CG2-CD2 4.36Å; L177-L187 HydrophobicContact CB-CD2 4.26Å; L177-L187 HydrophobicContact CD1-CD1 4.24Å; L181-L187 HydrophobicContact CD2-CB 4.05Å; L187-V213 HydrophobicContact CB-CB 3.98Å; L187-V213 HydrophobicContact CD2-CB 4.07Å; L187-V213 HydrophobicContact CD2-CG1 4.39Å; L187-V213 HydrophobicContact CD2-CG2 4.1Å; L187-V213 HydrophobicContact CG-CB 4.18Å; L187-V213 HydrophobicContact CG-CG2 4.36Å; L187-V213 PolarHBondContact N-O 3.07Å; L187-V213 PolarHBondContact O-N 3.26Å
188V93.5Very high72.3Confident0 Ų063.6 Ų63.60%030%0.302CS..EExtended strand (participates in β ladder)trans-116.1127.3175.3-177.30000109.1V70 H73 L74 I163 Y164 C165 I186 L210 N211 V212V70-V188 HydrophobicContact CG1-CG1 4.28Å; V70-V188 HydrophobicContact CG2-CG1 4.21Å; H73-V188 HydrophobicContact CB-CG2 3.85Å; L74-V188 HydrophobicContact CD2-CB 4.15Å; L74-V188 HydrophobicContact CD2-CG2 3.68Å; L74-V188 HydrophobicContact CG-CB 4.43Å; L74-V188 HydrophobicContact CG-CG2 3.95Å; I163-V188 PolarHBondContact O-N 3.4Å; Y164-V188 CarbonylContact C-O 3.46Å; Y164-V188 WeakPolarHBondContact CA-O 3.29Å; Y164-V188 HydrophobicContact CD2-CB 4.5Å; Y164-V188 WeakPolarHBondContact CD2-O 3.49Å; C165-V188 PolarHBondContact N-O 3.49Å; I186-V188 HydrophobicContact CG2-CG2 3.96Å; V188-L210 HydrophobicContact CG1-CD1 4.3Å; V188-L210 HydrophobicContact CG1-CD2 4.25Å; V188-N211 WeakPolarHBondContact CA-O 3.41Å; V188-V212 HydrophobicContact CG2-CG2 4.49Å
189T87.5Confident70.2Confident0 Ų071.7 Ų71.70%035%0.345CS..EExtended strand (participates in β ladder)trans-141.9144.6177.3173.80000109.6F167 L169 N211F167-T189 PolarHBondContact O-OG1 3.34Å; L169-T189 HydrophobicContact CB-CG2 4.42Å; L169-T189 HydrophobicContact CD1-CG2 4.11Å; L169-T189 HydrophobicContact CG-CG2 4.43Å; T189-N211 HydrophobicContact CG2-CB 3.82Å; T189-N211 PolarHBondContact N-O 3.06Å; T189-N211 PolarHBondContact O-N 2.92Å
190P76.3Confident68.2Low8 Ų878.4 Ų78.45%0.05237%0.366CS..EExtended strand (participates in β ladder)trans-68149.7172.832.5-37.8000111.4C165 F167 E168 F208 L210C165-P190 WeakPolarHBondContact O-CD 3.43Å; F167-P190 VanDerWaalsContact C-CG 3.47Å; F167-P190 WeakPolarHBondContact O-CD 3.31Å; E168-P190 VanDerWaalsContact CA-O 3.31Å; E168-P190 WeakPolarHBondContact CA-O 3.24Å; P190-F208 HydrophobicContact CB-CE1 3.68Å; P190-F208 HydrophobicContact CB-CE2 3.7Å; P190-F208 HydrophobicContact CB-CZ 3.16Å; P190-F208 HydrophobicContact CG-CZ 4.27Å; P190-L210 HydrophobicContact CB-CD2 4.48Å
191W66.2Low66.1Low59 Ų5981.5 Ų81.522%0.22339%0.386CS..EExtended strand (participates in β ladder)trans-132.8116.3173-176.949.8000108.8E168 R193 K209 N211E168-W191 VanDerWaalsContact OE1-CD1 3.3Å; W191-R193 HydrophobicContact CE3-CB 4.44Å; W191-R193 HydrophobicContact CH2-CB 4.06Å; W191-R193 HydrophobicContact CH2-CG 4.12Å; W191-R193 HydrophobicContact CZ2-CB 4.23Å; W191-R193 HydrophobicContact CZ2-CG 4.35Å; W191-R193 HydrophobicContact CZ3-CB 4.16Å; W191-R193 PolarHBondContact O-N 2.89Å; W191-K209 HydrophobicContact CE3-CB 4.01Å; W191-K209 HydrophobicContact CE3-CD 4.07Å; W191-K209 HydrophobicContact CZ3-CD 4Å; W191-K209 PolarHBondContact N-O 2.96Å; W191-K209 PolarHBondContact O-N 3.41Å; W191-N211 WeakPolarHBondContact CB-ND2 3.49Å; W191-N211 WeakPolarHBondContact CB-OD1 3.35Å
192L54.5Low63.5Low72 Ų7293.8 Ų93.838%0.37743%0.432SS..EExtended strand (participates in β ladder)trans-87.7105.2171.9-98.487000109.2E168 Y206 F208E168-L192 PolarHBondContact OE2-N 3.17Å; L192-Y206 HydrophobicContact CD2-CD1 3.66Å; L192-Y206 HydrophobicContact CD2-CE1 4.29Å; L192-Y206 HydrophobicContact CD2-CG 4.11Å; L192-F208 HydrophobicContact CD1-CD2 3.73Å; L192-F208 HydrophobicContact CD1-CE2 4.01Å
193R48.6Very low60.7Low134 Ų13494.1 Ų94.151%0.50645%0.445SS..EExtended strand (participates in β ladder)trans-85.4115.4162.4-169.1174.9175.4158.4-4.4108.7W191 V195 S207W191-R193 HydrophobicContact CE3-CB 4.44Å; W191-R193 HydrophobicContact CH2-CB 4.06Å; W191-R193 HydrophobicContact CH2-CG 4.12Å; W191-R193 HydrophobicContact CZ2-CB 4.23Å; W191-R193 HydrophobicContact CZ2-CG 4.35Å; W191-R193 HydrophobicContact CZ3-CB 4.16Å; W191-R193 PolarHBondContact O-N 2.89Å; R193-V195 PolarHBondContact O-N 3.15Å; R193-S207 PolarHBondContact N-O 3.37Å; R193-S207 PolarHBondContact O-N 3.18Å; R193-S207 PolarHBondContact O-OG 3.24Å
194R43.9Very low58Low171 Ų17193.8 Ų93.865%0.64544%0.444SS*.EExtended strand (participates in β ladder)trans-60.7117.3161.1-92.6-176.1178.7162.34.2108.1Y206R194-Y206 HydrophobicContact CG-CD1 3.88Å; R194-Y206 HydrophobicContact CG-CE1 3.44Å; R194-Y206 VanDerWaalsContact CG-CE1 3.44Å; R194-Y206 PolarHBondContact NE-OH 3.33Å; R194-Y206 PolarHBondContact NH2-OH 3.25Å
195V45.1Very low55.6Low62 Ų6290.6 Ų90.638%0.37643%0.431SS..EExtended strand (participates in β ladder)trans-88.5121.2169.5-172.40000106.5R193 S205 S207R193-V195 PolarHBondContact O-N 3.15Å; V195-S205 PolarHBondContact N-O 3.35Å; V195-S207 WeakPolarHBondContact CG2-OG 3.27Å
196N36.9Very low53.2Low132 Ų13295 Ų9571%0.70645%0.448SS*.  trans-1.6127.2179.7-65.4-20.2000118N198N196-N198 PolarHBondContact O-N 3.32Å
197Q34.2Very low51Low153 Ų15395.3 Ų95.372%0.71545%0.451SS*.  trans-60.5102.3157.7-71178-2.100108.4L199Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 2.64Å
198N34.1Very low49.1Very low118 Ų11897.5 Ų97.563%0.63146%0.461SS*.  trans-65104.2155.6-89.3-20.1000106N196 R200 V201N196-N198 PolarHBondContact O-N 3.32Å; N198-R200 PolarHBondContact O-N 2.76Å; N198-V201 CarbonylContact O-C 3.6Å; N198-V201 PolarHBondContact O-N 3.32Å
199L42Very low47.9Very low170 Ų17099.8 Ų99.889%0.8947%0.471SS*.THydrogen-bonded Turntrans-52.3-14.7179-87.6135.2000113.9Q197Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 2.64Å
200R44.1Very low47.4Very low247 Ų24799.8 Ų99.893%0.93247%0.471SS*.THydrogen-bonded Turntrans-91.2-13.6176.6-69.5-176.7175.3175.4-1.4115N198N198-R200 PolarHBondContact O-N 2.76Å
201V44Very low47.7Very low84 Ų8499.9 Ų99.951%0.50947%0.471SS..SBendtrans-137.6109.7-178.9-176.70000108N198 V203N198-V201 CarbonylContact O-C 3.6Å; N198-V201 PolarHBondContact O-N 3.32Å; V201-V203 HydrophobicContact CG1-CB 3.97Å; V201-V203 HydrophobicContact CG1-CG2 3.72Å; V201-V203 PolarHBondContact O-N 2.78Å
202R34.7Very low48.6Very low260 Ų26097.3 Ų97.398%0.98146%0.462SS*.  trans-69.844177-75.9-174.2173.2-178.8-1.2112.8
203V33.3Very low50.2Low105 Ų10594 Ų9464%0.63644%0.444SS*.  trans-117.7105.5174.4-175.50000107.1V201 S205V201-V203 HydrophobicContact CG1-CB 3.97Å; V201-V203 HydrophobicContact CG1-CG2 3.72Å; V201-V203 PolarHBondContact O-N 2.78Å; V203-S205 PolarHBondContact O-N 2.57Å
204S29.5Very low52.1Low62 Ų6292.7 Ų92.743%0.43444%0.443SS..  trans-75.9108.2170.251.90000108.8Y206S204-Y206 VanDerWaalsContact OG-CE2 3.26Å; S204-Y206 WeakPolarHBondContact OG-CE2 3.37Å
205S38.7Very low54.1Low52 Ų5285.5 Ų85.536%0.36442%0.416SS..EExtended strand (participates in β ladder)trans-80.4122.5166.952.40000109.4V195 V203V195-S205 PolarHBondContact N-O 3.35Å; V203-S205 PolarHBondContact O-N 2.57Å
206Y42.7Very low55.9Low93 Ų9384.6 Ų84.637%0.36541%0.41SS..EExtended strand (participates in β ladder)trans-99.1121.1173.8-65.4-86.2000108.6L192 R194 S204 I235L192-Y206 HydrophobicContact CD2-CD1 3.66Å; L192-Y206 HydrophobicContact CD2-CE1 4.29Å; L192-Y206 HydrophobicContact CD2-CG 4.11Å; R194-Y206 HydrophobicContact CG-CD1 3.88Å; R194-Y206 HydrophobicContact CG-CE1 3.44Å; R194-Y206 VanDerWaalsContact CG-CE1 3.44Å; R194-Y206 PolarHBondContact NE-OH 3.33Å; R194-Y206 PolarHBondContact NH2-OH 3.25Å; S204-Y206 VanDerWaalsContact OG-CE2 3.26Å; S204-Y206 WeakPolarHBondContact OG-CE2 3.37Å; Y206-I235 VanDerWaalsContact O-CD1 3.31Å; Y206-I235 WeakPolarHBondContact O-CD1 3.42Å
207S48.7Very low58Low20 Ų2081.8 Ų81.814%0.1441%0.406CS..EExtended strand (participates in β ladder)trans-90.8115.3167.166.30000107.9R193 V195R193-S207 PolarHBondContact N-O 3.37Å; R193-S207 PolarHBondContact O-N 3.18Å; R193-S207 PolarHBondContact O-OG 3.24Å; V195-S207 WeakPolarHBondContact CG2-OG 3.27Å
208F53.1Low60.3Low45 Ų4580.3 Ų80.320%0.19740%0.403CS..EExtended strand (participates in β ladder)trans-79.3126.5173-166.2-76.9000108.9I66 P190 L192 L210 F231I66-F208 HydrophobicContact CD1-CZ 4.21Å; P190-F208 HydrophobicContact CB-CE1 3.68Å; P190-F208 HydrophobicContact CB-CE2 3.7Å; P190-F208 HydrophobicContact CB-CZ 3.16Å; P190-F208 HydrophobicContact CG-CZ 4.27Å; L192-F208 HydrophobicContact CD1-CD2 3.73Å; L192-F208 HydrophobicContact CD1-CE2 4.01Å; F208-L210 HydrophobicContact CE1-CD2 3.82Å; F208-L210 HydrophobicContact CE1-CG 4.5Å; F208-F231 HydrophobicContact CB-CB 4.36Å; F208-F231 HydrophobicContact CB-CD1 3.56Å; F208-F231 HydrophobicContact CB-CD2 4.26Å; F208-F231 HydrophobicContact CB-CE1 3.91Å; F208-F231 HydrophobicContact CB-CG 3.81Å; F208-F231 HydrophobicContact CB-CZ 4.44Å; F208-F231 AromaticContact CD1-CD1 3.74Å; F208-F231 HydrophobicContact CD1-CD1 3.74Å; F208-F231 AromaticContact CD1-CD2 3.87Å; F208-F231 HydrophobicContact CD1-CD2 3.87Å; F208-F231 AromaticContact CD1-CE1 3.19Å; F208-F231 HydrophobicContact CD1-CE1 3.19Å; F208-F231 AromaticContact CD1-CE2 3.33Å; F208-F231 HydrophobicContact CD1-CE2 3.33Å; F208-F231 HydrophobicContact CD1-CG 4.09Å; F208-F231 AromaticContact CD1-CZ 3.02Å; F208-F231 HydrophobicContact CD1-CZ 3.02Å; F208-F231 HydrophobicContact CD2-CE1 4.41Å; F208-F231 AromaticContact CE1-CE1 3.59Å; F208-F231 HydrophobicContact CE1-CE1 3.59Å; F208-F231 AromaticContact CE1-CE2 3.81Å; F208-F231 HydrophobicContact CE1-CE2 3.81Å; F208-F231 AromaticContact CE1-CZ 3.19Å; F208-F231 HydrophobicContact CE1-CZ 3.19Å; F208-F231 AromaticContact CG-CD1 3.83Å; F208-F231 HydrophobicContact CG-CD1 3.83Å; F208-F231 AromaticContact CG-CE1 3.61Å; F208-F231 HydrophobicContact CG-CE1 3.61Å; F208-F231 HydrophobicContact CG-CE2 4.31Å; F208-F231 HydrophobicContact CG-CG 4.33Å; F208-F231 AromaticContact CG-CZ 3.93Å; F208-F231 HydrophobicContact CG-CZ 3.93Å; F208-F231 HydrophobicContact CZ-CE1 4.31Å; F208-F231 HydrophobicContact CZ-CZ 4.22Å; F208-F231 VanDerWaalsContact O-CD2 3.28Å; F208-F231 WeakPolarHBondContact O-CD2 3.41Å
209K68.6Low62.4Low48 Ų4877.8 Ų77.821%0.20939%0.394CS..EExtended strand (participates in β ladder)trans-123.1160.4175.5-65.7-170.4178.4-165.10108.8W191 V226W191-K209 HydrophobicContact CE3-CB 4.01Å; W191-K209 HydrophobicContact CE3-CD 4.07Å; W191-K209 HydrophobicContact CZ3-CD 4Å; W191-K209 PolarHBondContact N-O 2.96Å; W191-K209 PolarHBondContact O-N 3.41Å; K209-V226 WeakPolarHBondContact CA-O 3.44Å; K209-V226 WeakPolarHBondContact CB-O 3.21Å
210L77.1Confident64.2Low0 Ų072.5 Ų72.50%037%0.372CS..EExtended strand (participates in β ladder)trans-107132.9169.4-68.6177.5000108.7E69 V70 V188 P190 F208 V226 P228 F231E69-L210 HydrophobicContact CB-CD1 4.18Å; E69-L210 HydrophobicContact CG-CD1 3.55Å; V70-L210 HydrophobicContact CG2-CD1 4.4Å; V70-L210 HydrophobicContact CG2-CD2 4.33Å; V188-L210 HydrophobicContact CG1-CD1 4.3Å; V188-L210 HydrophobicContact CG1-CD2 4.25Å; P190-L210 HydrophobicContact CB-CD2 4.48Å; F208-L210 HydrophobicContact CE1-CD2 3.82Å; F208-L210 HydrophobicContact CE1-CG 4.5Å; L210-V226 PolarHBondContact N-O 3.47Å; L210-V226 PolarHBondContact O-N 2.77Å; L210-P228 HydrophobicContact CD1-CG 4.02Å; L210-P228 HydrophobicContact CG-CG 4.19Å; L210-F231 HydrophobicContact CG-CE2 4.4Å
211N81.8Confident66Low11 Ų1163.8 Ų63.86%0.05934%0.343CS..EExtended strand (participates in β ladder)trans-89.7118.1164.2-67.8-11.3000107.6V188 T189 W191 V223 N225V188-N211 WeakPolarHBondContact CA-O 3.41Å; T189-N211 HydrophobicContact CG2-CB 3.82Å; T189-N211 PolarHBondContact N-O 3.06Å; T189-N211 PolarHBondContact O-N 2.92Å; W191-N211 WeakPolarHBondContact CB-ND2 3.49Å; W191-N211 WeakPolarHBondContact CB-OD1 3.35Å; N211-V223 HydrophobicContact CB-CG1 4.34Å; N211-N225 PolarHBondContact OD1-OD1 3.32Å
212V86.2Confident67.9Low5 Ų561.8 Ų61.83%0.0334%0.335CS..EExtended strand (participates in β ladder)trans-102.3105.7171.4-177.30000107.1H73 I186 V188 K214 T224 V226H73-V212 HydrophobicContact CB-CG2 4.02Å; I186-V212 HydrophobicContact CG2-CG1 3.88Å; V188-V212 HydrophobicContact CG2-CG2 4.49Å; V212-K214 HydrophobicContact CG1-CG 4.37Å; V212-T224 PolarHBondContact N-O 3.05Å; V212-T224 PolarHBondContact O-N 3.04Å; V212-V226 HydrophobicContact CB-CG2 4.39Å; V212-V226 HydrophobicContact CG2-CG2 3.66Å
213V86.4Confident70.1Confident1 Ų152.9 Ų52.91%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-96.9118.4179.3-176.60000107.7I174 I186 L187 I221 A222 V223I174-V213 HydrophobicContact CG2-CG1 4.14Å; I174-V213 HydrophobicContact CG2-CG2 4.07Å; I186-V213 CarbonylContact C-O 3.53Å; I186-V213 WeakPolarHBondContact CA-O 3.37Å; L187-V213 HydrophobicContact CB-CB 3.98Å; L187-V213 HydrophobicContact CD2-CB 4.07Å; L187-V213 HydrophobicContact CD2-CG1 4.39Å; L187-V213 HydrophobicContact CD2-CG2 4.1Å; L187-V213 HydrophobicContact CG-CB 4.18Å; L187-V213 HydrophobicContact CG-CG2 4.36Å; L187-V213 PolarHBondContact N-O 3.07Å; L187-V213 PolarHBondContact O-N 3.26Å; V213-I221 HydrophobicContact CG1-CG2 3.33Å; V213-A222 CarbonylContact C-O 3.57Å; V213-A222 WeakPolarHBondContact CA-O 3.36Å; V213-V223 HydrophobicContact CG1-CG2 4.3Å; V213-V223 HydrophobicContact CG2-CG1 4.19Å; V213-V223 HydrophobicContact CG2-CG2 4.1Å
214K89Confident72.4Confident108 Ų10851.4 Ų51.447%0.4730%0.301SS..EExtended strand (participates in β ladder)trans-108.5129.7174.9-65.2-172.4178.4-177.90109.3G185 I186 V212 A222G185-K214 WeakPolarHBondContact O-CA 3.48Å; I186-K214 HydrophobicContact CG1-CG 4.43Å; V212-K214 HydrophobicContact CG1-CG 4.37Å; K214-A222 PolarHBondContact N-O 2.99Å; K214-A222 PolarHBondContact O-N 3.39Å
215K86.5Confident74.4Confident20 Ų2052.7 Ų52.79%0.08730%0.303CS..EExtended strand (participates in β ladder)trans-85.8119.1166.9-166.7171.3-169.6166.10107.6S178 L181 N184 G185 S220S178-K215 PolarHBondContact O-NZ 2.84Å; L181-K215 HydrophobicContact CB-CD 4.29Å; L181-K215 HydrophobicContact CD2-CB 3.96Å; L181-K215 HydrophobicContact CG-CB 4.21Å; L181-K215 WeakPolarHBondContact O-CD 3.47Å; L181-K215 PolarHBondContact O-NZ 3.21Å; N184-K215 WeakPolarHBondContact CA-O 3.5Å; N184-K215 PolarHBondContact N-O 3.46Å; G185-K215 PolarHBondContact O-N 2.86Å; K215-S220 WeakPolarHBondContact CA-O 3.29Å
216T83.2Confident75.5Confident42 Ų4251.8 Ų51.826%0.25830%0.295SS..  trans-72169.2178.651.40000110.7D218 S219 S220T216-D218 VanDerWaalsContact CB-OD1 3.29Å; T216-D218 WeakPolarHBondContact CB-OD1 3.36Å; T216-D218 PolarHBondContact O-N 3.39Å; T216-D218 PolarHBondContact OG1-OD1 3.44Å; T216-S219 PolarHBondContact O-N 2.91Å; T216-S220 PolarHBondContact N-O 2.96Å; T216-S220 WeakPolarHBondContact OG1-CA 3.29Å; T216-S220 PolarHBondContact OG1-N 3.4Å; T216-S220 PolarHBondContact OG1-O 2.88Å; T216-S220 PolarHBondContact OG1-OG 3.38Å
217A80.1Confident76.2Confident74 Ų7450.6 Ų50.661%0.61230%0.3SS*.THydrogen-bonded Turntrans-60.2-32.7177.400000112.9S219A217-S219 PolarHBondContact O-N 3.36Å
218D82.8Confident76.3Confident122 Ų12249.8 Ų49.865%0.65229%0.294SS*.THydrogen-bonded Turntrans-81.49.417571.3-9.1000113.6T216 S220T216-D218 VanDerWaalsContact CB-OD1 3.29Å; T216-D218 WeakPolarHBondContact CB-OD1 3.36Å; T216-D218 PolarHBondContact O-N 3.39Å; T216-D218 PolarHBondContact OG1-OD1 3.44Å; D218-S220 PolarHBondContact O-N 2.71Å; D218-S220 WeakPolarHBondContact OD1-CB 3.4Å; D218-S220 PolarHBondContact OD1-N 3.28Å; D218-S220 VanDerWaalsContact OD1-N 3.14Å; D218-S220 PolarHBondContact OD1-OG 3.28Å
219S78.3Confident75.9Confident65 Ų6552.2 Ų52.246%0.45531%0.313SS..SBendtrans67.29.6-178.7-550000116.2T216 A217T216-S219 PolarHBondContact O-N 2.91Å; A217-S219 PolarHBondContact O-N 3.36Å
220S80.2Confident74.8Confident59 Ų5950 Ų5041%0.41330%0.303SS..  trans-71.9162.6166.569.40000112K215 T216 D218K215-S220 WeakPolarHBondContact CA-O 3.29Å; T216-S220 PolarHBondContact N-O 2.96Å; T216-S220 WeakPolarHBondContact OG1-CA 3.29Å; T216-S220 PolarHBondContact OG1-N 3.4Å; T216-S220 PolarHBondContact OG1-O 2.88Å; T216-S220 PolarHBondContact OG1-OG 3.38Å; D218-S220 PolarHBondContact O-N 2.71Å; D218-S220 WeakPolarHBondContact OD1-CB 3.4Å; D218-S220 PolarHBondContact OD1-N 3.28Å; D218-S220 VanDerWaalsContact OD1-N 3.14Å; D218-S220 PolarHBondContact OD1-OG 3.28Å
221I82.3Confident73.4Confident64 Ų6450.2 Ų50.233%0.32830%0.304SS..EExtended strand (participates in β ladder)trans-113.5120.3-174.8-57.9169.7000109F175 S178 V213 V223F175-I221 HydrophobicContact CD2-CD1 4.32Å; S178-I221 VanDerWaalsContact CB-CD1 3.48Å; S178-I221 WeakPolarHBondContact OG-CD1 2.88Å; V213-I221 HydrophobicContact CG1-CG2 3.33Å; I221-V223 HydrophobicContact CG2-CG2 4.11Å
222A83.2Confident71.2Confident42 Ų4254 Ų5435%0.34732%0.324SS..EExtended strand (participates in β ladder)trans-105.5118.8171.200000109.8V213 K214V213-A222 CarbonylContact C-O 3.57Å; V213-A222 WeakPolarHBondContact CA-O 3.36Å; K214-A222 PolarHBondContact N-O 2.99Å; K214-A222 PolarHBondContact O-N 3.39Å
223V81.5Confident69Low72 Ų7259 Ų5944%0.43635%0.347SS..EExtended strand (participates in β ladder)trans-101.7118.2176.1-174.30000109.2N211 V213 I221N211-V223 HydrophobicContact CB-CG1 4.34Å; V213-V223 HydrophobicContact CG1-CG2 4.3Å; V213-V223 HydrophobicContact CG2-CG1 4.19Å; V213-V223 HydrophobicContact CG2-CG2 4.1Å; I221-V223 HydrophobicContact CG2-CG2 4.11Å
224T80.5Confident66.7Low75 Ų7561.5 Ų61.546%0.4636%0.359SS..EExtended strand (participates in β ladder)trans-109.7123.6174.4-54.40000109.5V212 V226V212-T224 PolarHBondContact N-O 3.05Å; V212-T224 PolarHBondContact O-N 3.04Å; T224-V226 HydrophobicContact CG2-CG2 4.31Å; T224-V226 PolarHBondContact O-N 2.87Å
225N72Confident64.2Low88 Ų8860.2 Ų60.247%0.47136%0.357SS..EExtended strand (participates in β ladder)trans-87.2109.8174.6-60.1-21.5000108.6N211N211-N225 PolarHBondContact OD1-OD1 3.32Å
226V62.3Low61.6Low34 Ų3464.4 Ų64.421%0.20638%0.379CS..EExtended strand (participates in β ladder)trans-93.3135.8175.2-173.10000108.4K209 L210 V212 T224 P228K209-V226 WeakPolarHBondContact CA-O 3.44Å; K209-V226 WeakPolarHBondContact CB-O 3.21Å; L210-V226 PolarHBondContact N-O 3.47Å; L210-V226 PolarHBondContact O-N 2.77Å; V212-V226 HydrophobicContact CB-CG2 4.39Å; V212-V226 HydrophobicContact CG2-CG2 3.66Å; T224-V226 HydrophobicContact CG2-CG2 4.31Å; T224-V226 PolarHBondContact O-N 2.87Å; V226-P228 VanDerWaalsContact C-CD 3.5Å; V226-P228 HydrophobicContact CG1-CG 4.26Å; V226-P228 VanDerWaalsContact O-CD 3.23Å; V226-P228 WeakPolarHBondContact O-CD 3.44Å
227C55.7Low59.1Low68 Ų6867.3 Ų67.346%0.45940%0.401SS..  trans-106.197.5169.5-161.60000107.8T229C227-T229 PolarHBondContact O-N 2.79Å
228P50.9Low56.7Low3 Ų369.4 Ų69.42%0.01941%0.411CS..  trans-68130.3178.4-30.941.5000111.1E69 L210 V226 V230 F231E69-P228 HydrophobicContact CG-CB 3.46Å; E69-P228 VanDerWaalsContact CG-CB 3.46Å; E69-P228 HydrophobicContact CG-CG 3.34Å; E69-P228 WeakPolarHBondContact OE1-CB 3.34Å; E69-P228 WeakPolarHBondContact OE1-CG 3.2Å; L210-P228 HydrophobicContact CD1-CG 4.02Å; L210-P228 HydrophobicContact CG-CG 4.19Å; V226-P228 VanDerWaalsContact C-CD 3.5Å; V226-P228 HydrophobicContact CG1-CG 4.26Å; V226-P228 VanDerWaalsContact O-CD 3.23Å; V226-P228 WeakPolarHBondContact O-CD 3.44Å; P228-V230 HydrophobicContact CB-CB 4.46Å; P228-V230 HydrophobicContact CB-CG2 4.42Å; P228-V230 PolarHBondContact O-N 3.44Å; P228-F231 HydrophobicContact CB-CD2 3.44Å; P228-F231 VanDerWaalsContact CB-CD2 3.44Å; P228-F231 HydrophobicContact CB-CE2 3.55Å; P228-F231 HydrophobicContact CG-CD2 3.67Å; P228-F231 HydrophobicContact CG-CE2 3.43Å; P228-F231 VanDerWaalsContact CG-CE2 3.43Å; P228-F231 PolarHBondContact O-N 2.84Å
229T45.3Very low54.5Low96 Ų9668 Ų6859%0.58941%0.411SS*.G310 helixtrans-54.6-25.5172.550.50000111.7C227 F231 D232C227-T229 PolarHBondContact O-N 2.79Å; T229-F231 PolarHBondContact O-N 2.82Å; T229-D232 PolarHBondContact O-N 2.97Å
230V46.7Very low52.2Low1 Ų171.9 Ų71.91%0.00643%0.427CS..G310 helixtrans-63.9-24.8178.9-160.10000113.2R65 E69 P228 M234R65-V230 HydrophobicContact CB-CG1 3.63Å; R65-V230 HydrophobicContact CG-CG1 4.12Å; E69-V230 WeakPolarHBondContact OE2-CG2 3.4Å; P228-V230 HydrophobicContact CB-CB 4.46Å; P228-V230 HydrophobicContact CB-CG2 4.42Å; P228-V230 PolarHBondContact O-N 3.44Å; V230-M234 HydrophobicContact CG1-CE 4.15Å; V230-M234 WeakPolarHBondContact O-CE 2.91Å
231F45.7Very low50.1Low4 Ų474 Ų742%0.01844%0.441CS..G310 helixtrans-81.7-23.3-179.5-67.8-66000114.3I66 F208 L210 P228 T229 H233 M234 I235I66-F231 HydrophobicContact CD1-CE1 4.2Å; I66-F231 HydrophobicContact CG1-CE1 3.59Å; I66-F231 HydrophobicContact CG1-CZ 3.87Å; F208-F231 HydrophobicContact CB-CB 4.36Å; F208-F231 HydrophobicContact CB-CD1 3.56Å; F208-F231 HydrophobicContact CB-CD2 4.26Å; F208-F231 HydrophobicContact CB-CE1 3.91Å; F208-F231 HydrophobicContact CB-CG 3.81Å; F208-F231 HydrophobicContact CB-CZ 4.44Å; F208-F231 AromaticContact CD1-CD1 3.74Å; F208-F231 HydrophobicContact CD1-CD1 3.74Å; F208-F231 AromaticContact CD1-CD2 3.87Å; F208-F231 HydrophobicContact CD1-CD2 3.87Å; F208-F231 AromaticContact CD1-CE1 3.19Å; F208-F231 HydrophobicContact CD1-CE1 3.19Å; F208-F231 AromaticContact CD1-CE2 3.33Å; F208-F231 HydrophobicContact CD1-CE2 3.33Å; F208-F231 HydrophobicContact CD1-CG 4.09Å; F208-F231 AromaticContact CD1-CZ 3.02Å; F208-F231 HydrophobicContact CD1-CZ 3.02Å; F208-F231 HydrophobicContact CD2-CE1 4.41Å; F208-F231 AromaticContact CE1-CE1 3.59Å; F208-F231 HydrophobicContact CE1-CE1 3.59Å; F208-F231 AromaticContact CE1-CE2 3.81Å; F208-F231 HydrophobicContact CE1-CE2 3.81Å; F208-F231 AromaticContact CE1-CZ 3.19Å; F208-F231 HydrophobicContact CE1-CZ 3.19Å; F208-F231 AromaticContact CG-CD1 3.83Å; F208-F231 HydrophobicContact CG-CD1 3.83Å; F208-F231 AromaticContact CG-CE1 3.61Å; F208-F231 HydrophobicContact CG-CE1 3.61Å; F208-F231 HydrophobicContact CG-CE2 4.31Å; F208-F231 HydrophobicContact CG-CG 4.33Å; F208-F231 AromaticContact CG-CZ 3.93Å; F208-F231 HydrophobicContact CG-CZ 3.93Å; F208-F231 HydrophobicContact CZ-CE1 4.31Å; F208-F231 HydrophobicContact CZ-CZ 4.22Å; F208-F231 VanDerWaalsContact O-CD2 3.28Å; F208-F231 WeakPolarHBondContact O-CD2 3.41Å; L210-F231 HydrophobicContact CG-CE2 4.4Å; P228-F231 HydrophobicContact CB-CD2 3.44Å; P228-F231 VanDerWaalsContact CB-CD2 3.44Å; P228-F231 HydrophobicContact CB-CE2 3.55Å; P228-F231 HydrophobicContact CG-CD2 3.67Å; P228-F231 HydrophobicContact CG-CE2 3.43Å; P228-F231 VanDerWaalsContact CG-CE2 3.43Å; P228-F231 PolarHBondContact O-N 2.84Å; T229-F231 PolarHBondContact O-N 2.82Å; F231-H233 PolarHBondContact O-N 3.38Å; F231-M234 HydrophobicContact CD1-CE 3.09Å; F231-M234 HydrophobicContact CD1-SD 3.77Å; F231-M234 HydrophobicContact CE1-CE 3.2Å; F231-M234 HydrophobicContact CE1-SD 3.93Å; F231-M234 HydrophobicContact CG-CE 3.99Å; F231-M234 HydrophobicContact CZ-CE 4.14Å; F231-M234 WeakPolarHBondContact O-CA 2.79Å; F231-M234 WeakPolarHBondContact O-CB 3.45Å; F231-M234 PolarHBondContact O-N 2.95Å; F231-I235 WeakPolarHBondContact O-CG1 3.32Å; F231-I235 PolarHBondContact O-N 2.95Å; F231-I235 VanDerWaalsContact O-N 3.17Å
232D36.7Very low47.7Very low90 Ų9077.3 Ų77.348%0.48146%0.464SS..Hα-helixtrans-61.2-35.4175.6-67.9-26.9000110.3T229 M234 I235 I236T229-D232 PolarHBondContact O-N 2.97Å; D232-M234 VanDerWaalsContact C-N 3.31Å; D232-M234 PolarHBondContact O-N 3.27Å; D232-I235 PolarHBondContact O-N 3.43Å; D232-I236 WeakPolarHBondContact O-CG1 3.32Å; D232-I236 PolarHBondContact O-N 3.01Å
233H40.3Very low45.5Very low110 Ų11080.3 Ų80.351%0.50947%0.473SS..Hα-helixtrans-73.1-16.6173.4-59.8-64000114.4F231F231-H233 PolarHBondContact O-N 3.38Å
234M36.7Very low43Very low54 Ų5482 Ų8227%0.26649%0.486SS..Hα-helixtrans-87.5-19174.2-74.5-175.3-108.200112.8R65 I66 V230 F231 D232R65-M234 HydrophobicContact CB-CE 3.93Å; I66-M234 HydrophobicContact CG1-CE 4.21Å; I66-M234 HydrophobicContact CG1-SD 4.43Å; V230-M234 HydrophobicContact CG1-CE 4.15Å; V230-M234 WeakPolarHBondContact O-CE 2.91Å; F231-M234 HydrophobicContact CD1-CE 3.09Å; F231-M234 HydrophobicContact CD1-SD 3.77Å; F231-M234 HydrophobicContact CE1-CE 3.2Å; F231-M234 HydrophobicContact CE1-SD 3.93Å; F231-M234 HydrophobicContact CG-CE 3.99Å; F231-M234 HydrophobicContact CZ-CE 4.14Å; F231-M234 WeakPolarHBondContact O-CA 2.79Å; F231-M234 WeakPolarHBondContact O-CB 3.45Å; F231-M234 PolarHBondContact O-N 2.95Å; D232-M234 VanDerWaalsContact C-N 3.31Å; D232-M234 PolarHBondContact O-N 3.27Å
235I36.6Very low40.6Very low81 Ų8183.3 Ų83.342%0.41550%0.504SS..Hα-helixtrans-86.8-21.7178-62.5167.4000111Y206 F231 D232 S237Y206-I235 VanDerWaalsContact O-CD1 3.31Å; Y206-I235 WeakPolarHBondContact O-CD1 3.42Å; F231-I235 WeakPolarHBondContact O-CG1 3.32Å; F231-I235 PolarHBondContact O-N 2.95Å; F231-I235 VanDerWaalsContact O-N 3.17Å; D232-I235 PolarHBondContact O-N 3.43Å; I235-S237 PolarHBondContact O-N 3.26Å
236I32.2Very low38.6Very low109 Ų10985 Ų8556%0.55951%0.514SS*.  trans-92.294.7177.2-57.6170.7000109.2D232D232-I236 WeakPolarHBondContact O-CG1 3.32Å; D232-I236 PolarHBondContact O-N 3.01Å
237S31.6Very low37.2Very low102 Ų10291.2 Ų91.271%0.71354%0.544SS*.  trans-70.8130.6163.974.50000109.9I235I235-S237 PolarHBondContact O-N 3.26Å
238S29.4Very low35.9Very low118 Ų11892.4 Ų92.483%0.82555%0.553SS**SBendtrans53.581.316263.60000116.9
239S35.5Very low35.3Very low94 Ų9497.5 Ų97.566%0.65759%0.587SS**  trans-150.6117.514860.30000111.5S241S239-S241 PolarHBondContact O-N 2.82Å; S239-S241 VanDerWaalsContact O-N 3.16Å
240N31.7Very low35.1Very low146 Ų14698.5 Ų98.578%0.78159%0.587SS**  trans-23.2101.6171.1-61.6-27.1000115.4
241S35.6Very low35.2Very low102 Ų102101.6 Ų101.671%0.71361%0.607SS**  trans-108.3102.4156.257.40000108.3S239 I243S239-S241 PolarHBondContact O-N 2.82Å; S239-S241 VanDerWaalsContact O-N 3.16Å; S241-I243 PolarHBondContact O-N 3.16Å; S241-I243 VanDerWaalsContact O-N 3.15Å
242V32.1Very low35.6Very low135 Ų135102.7 Ų102.782%0.81862%0.615SS**  trans-58.9110.6164.2177.70000106.5P244V242-P244 WeakPolarHBondContact O-CD 3.29Å
243I35.5Very low36.2Very low104 Ų104102.5 Ų102.553%0.53361%0.614SS.*  trans-74.3120.5173-62.1163000106.4L20 S241 A245L20-I243 HydrophobicContact CD1-CD1 3.81Å; L20-I243 HydrophobicContact CD1-CG2 4.41Å; S241-I243 PolarHBondContact O-N 3.16Å; S241-I243 VanDerWaalsContact O-N 3.15Å; I243-A245 PolarHBondContact O-N 2.94Å
244P30.7Very low36.9Very low109 Ų109100 Ų10071%0.70860%0.6SS**  trans-62124.6173.4-17.530.8000109.3V242 D246V242-P244 WeakPolarHBondContact O-CD 3.29Å; P244-D246 PolarHBondContact O-N 3.11Å
245A28.6Very low37.6Very low102 Ų102103.8 Ų103.884%0.84362%0.615SS**  trans-70.284.1168.700000108.8I243I243-A245 PolarHBondContact O-N 2.94Å
246D31Very low38.4Very low124 Ų124101.3 Ų101.366%0.66360%0.602SS**  trans-129.683.5162.9-154.6-24.3000109.3P244 S248P244-D246 PolarHBondContact O-N 3.11Å; D246-S248 PolarHBondContact O-N 3.11Å; D246-S248 VanDerWaalsContact O-N 3.08Å; D246-S248 WeakPolarHBondContact OD1-CB 3.23Å; D246-S248 PolarHBondContact OD1-OG 3.36Å
247I31.6Very low39.5Very low163 Ų16398.2 Ų98.284%0.83659%0.593SS**  trans-80.369.7174.5-56.2169.8000106.9
248S29.3Very low40.9Very low93 Ų9394 Ų9465%0.6556%0.562SS**  trans-113.39.2-178.6490000114.9D246D246-S248 PolarHBondContact O-N 3.11Å; D246-S248 VanDerWaalsContact O-N 3.08Å; D246-S248 WeakPolarHBondContact OD1-CB 3.23Å; D246-S248 PolarHBondContact OD1-OG 3.36Å
249C38.9Very low42.2Very low111 Ų11193.3 Ų93.375%0.7554%0.542SS*.SBendtrans-103.7119.7167.2-168.60000110
250M40.4Very low43.4Very low117 Ų11791.1 Ų91.158%0.57652%0.521SS*.  trans-43.1124.9179.3-67.5-118.476.400110.7K349M250-K349 PolarHBondContact SD-NZ 2.87Å; M250-K349 VanDerWaalsContact SD-NZ 3.44Å
251P48.6Very low45Very low65 Ų6586.4 Ų86.442%0.42250%0.496SS..  trans-63.6143.1-159.6-20.331.4000111.5L253 Y254P251-L253 HydrophobicContact CB-CB 4.15Å; P251-L253 PolarHBondContact O-N 3.4Å; P251-Y254 WeakPolarHBondContact O-CA 3.14Å; P251-Y254 VanDerWaalsContact O-CB 3.23Å; P251-Y254 WeakPolarHBondContact O-CB 3.23Å; P251-Y254 PolarHBondContact O-N 3.2Å
252S54.7Low46.4Very low27 Ų2783.1 Ų83.119%0.18947%0.469CS..Hα-helixtrans-52.5-28.6169.759.10000112.7E29 R33 Y254 K255 I256E29-S252 VanDerWaalsContact CD-CB 3.44Å; E29-S252 WeakPolarHBondContact OE1-CB 3.45Å; E29-S252 PolarHBondContact OE1-OG 2.89Å; E29-S252 VanDerWaalsContact OE2-CB 3.29Å; E29-S252 WeakPolarHBondContact OE2-CB 3.33Å; R33-S252 PolarHBondContact NH2-OG 3.17Å; S252-Y254 PolarHBondContact O-N 3.38Å; S252-K255 PolarHBondContact O-N 2.92Å; S252-K255 VanDerWaalsContact O-N 3.07Å; S252-I256 WeakPolarHBondContact O-CG1 3.48Å; S252-I256 PolarHBondContact O-N 3.38Å
253L49.9Very low47.9Very low87 Ų8777.2 Ų77.246%0.45543%0.432SS..Hα-helixtrans-54.1-34.8168.5-69.7167.4000113.6P251 A257P251-L253 HydrophobicContact CB-CB 4.15Å; P251-L253 PolarHBondContact O-N 3.4Å; L253-A257 WeakPolarHBondContact O-CB 3.23Å; L253-A257 PolarHBondContact O-N 3.43Å
254Y53.2Low49.5Very low56 Ų5676.5 Ų76.522%0.2243%0.429CS..Hα-helixtrans-66.8-44.1174.4-177.9-101.8000111.5P251 S252 A257 L258 L350 S353P251-Y254 WeakPolarHBondContact O-CA 3.14Å; P251-Y254 VanDerWaalsContact O-CB 3.23Å; P251-Y254 WeakPolarHBondContact O-CB 3.23Å; P251-Y254 PolarHBondContact O-N 3.2Å; S252-Y254 PolarHBondContact O-N 3.38Å; Y254-A257 PolarHBondContact O-N 3.05Å; Y254-L258 HydrophobicContact CD1-CD1 3.62Å; Y254-L258 HydrophobicContact CE1-CD1 3.15Å; Y254-L258 HydrophobicContact CE1-CG 4.38Å; Y254-L258 HydrophobicContact CE2-CD1 4.32Å; Y254-L258 HydrophobicContact CG-CD1 4.37Å; Y254-L258 VanDerWaalsContact O-CB 3.32Å; Y254-L258 WeakPolarHBondContact O-CB 3.22Å; Y254-L258 PolarHBondContact O-N 3.39Å; Y254-L350 HydrophobicContact CD2-CD2 4.03Å; Y254-L350 HydrophobicContact CE2-CD2 3.24Å; Y254-L350 HydrophobicContact CE2-CG 3.8Å; Y254-S353 PolarHBondContact OH-OG 3.22Å
255K51.8Low51.4Low134 Ų13471.6 Ų71.658%0.58340%0.397SS*.Hα-helixtrans-65.3-40.5175.6-71-177.1179.1176.60111.4S252 L258 W259S252-K255 PolarHBondContact O-N 2.92Å; S252-K255 VanDerWaalsContact O-N 3.07Å; K255-L258 PolarHBondContact O-N 3.36Å; K255-W259 WeakPolarHBondContact O-CB 3.22Å; K255-W259 PolarHBondContact O-N 2.82Å
256I53.8Low53.3Low29 Ų2968.7 Ų68.715%0.14937%0.367CS..Hα-helixtrans-66.5-45.5176.8-63.9165.2000110.5I30 S252 L258 W259 E260I30-I256 HydrophobicContact CG1-CG1 3.9Å; S252-I256 WeakPolarHBondContact O-CG1 3.48Å; S252-I256 PolarHBondContact O-N 3.38Å; I256-L258 VanDerWaalsContact C-N 3.33Å; I256-L258 PolarHBondContact O-N 3.37Å; I256-W259 PolarHBondContact O-N 3.23Å; I256-E260 WeakPolarHBondContact O-CB 3.44Å; I256-E260 PolarHBondContact O-N 3.35Å
257A56.1Low54.9Low45 Ų4564.4 Ų64.437%0.37234%0.344SS..Hα-helixtrans-63.3-39.2176.300000111.7L253 Y254 L261L253-A257 WeakPolarHBondContact O-CB 3.23Å; L253-A257 PolarHBondContact O-N 3.43Å; Y254-A257 PolarHBondContact O-N 3.05Å; A257-L261 VanDerWaalsContact O-CB 3.22Å; A257-L261 WeakPolarHBondContact O-CB 3.42Å; A257-L261 WeakPolarHBondContact O-CD1 3.29Å; A257-L261 VanDerWaalsContact O-CG 3.23Å; A257-L261 WeakPolarHBondContact O-CG 3.45Å; A257-L261 PolarHBondContact O-N 2.77Å
258L60Low57Low13 Ų1358.6 Ų58.67%0.06832%0.318CS..Hα-helixtrans-61.8-45.3172-97.9158.8000111.9Y254 K255 I256 L261 H262 L350 S353 L354Y254-L258 HydrophobicContact CD1-CD1 3.62Å; Y254-L258 HydrophobicContact CE1-CD1 3.15Å; Y254-L258 HydrophobicContact CE1-CG 4.38Å; Y254-L258 HydrophobicContact CE2-CD1 4.32Å; Y254-L258 HydrophobicContact CG-CD1 4.37Å; Y254-L258 VanDerWaalsContact O-CB 3.32Å; Y254-L258 WeakPolarHBondContact O-CB 3.22Å; Y254-L258 PolarHBondContact O-N 3.39Å; K255-L258 PolarHBondContact O-N 3.36Å; I256-L258 VanDerWaalsContact C-N 3.33Å; I256-L258 PolarHBondContact O-N 3.37Å; L258-L261 PolarHBondContact O-N 3.01Å; L258-H262 WeakPolarHBondContact O-CB 3.48Å; L258-H262 PolarHBondContact O-N 2.94Å; L258-L350 HydrophobicContact CD1-CD2 4.2Å; L258-L350 HydrophobicContact CD2-CD2 4.1Å; L258-L350 HydrophobicContact CG-CD2 3.77Å; L258-S353 VanDerWaalsContact CD2-CB 3.42Å; L258-L354 HydrophobicContact CD2-CD2 3.89Å; L258-L354 HydrophobicContact CD2-CG 3.92Å
259W56.4Low59.4Low104 Ų10454.4 Ų54.439%0.39429%0.288SS..Hα-helixtrans-62.5-46.9178.1-172.584.7000111.4I30 L136 K255 I256 H262 R263I30-W259 HydrophobicContact CD1-CD2 4.42Å; I30-W259 HydrophobicContact CD1-CG 4.44Å; L136-W259 HydrophobicContact CD2-CH2 3.32Å; L136-W259 HydrophobicContact CD2-CZ3 3.4Å; K255-W259 WeakPolarHBondContact O-CB 3.22Å; K255-W259 PolarHBondContact O-N 2.82Å; I256-W259 PolarHBondContact O-N 3.23Å; W259-H262 PolarHBondContact O-N 3.12Å; W259-R263 WeakPolarHBondContact O-CB 3.42Å; W259-R263 PolarHBondContact O-N 2.96Å
260E60.8Low61Low48 Ų4849.4 Ų49.422%0.22425%0.254CS..Hα-helixtrans-63.3-43.3175.8-79.4-64.7163.100112.6I256 R263 L264I256-E260 WeakPolarHBondContact O-CB 3.44Å; I256-E260 PolarHBondContact O-N 3.35Å; E260-R263 WeakPolarHBondContact O-CB 3.26Å; E260-R263 PolarHBondContact O-N 2.84Å; E260-R263 IonicContact OE1-CZ 3.02Å; E260-R263 IonicContact OE1-NH1 3.79Å; E260-R263 IonicContact OE1-NH2 2.65Å; E260-R263 PolarHBondContact OE1-NH2 3.44Å; E260-R263 IonicContact OE2-CZ 3.37Å; E260-R263 IonicContact OE2-NE 2.63Å; E260-R263 PolarHBondContact OE2-NE 2.95Å; E260-R263 IonicContact OE2-NH2 3.83Å; E260-R263 PolarHBondContact OE2-NH2 3.19Å; E260-L264 VanDerWaalsContact O-CG 3.29Å; E260-L264 WeakPolarHBondContact O-CG 3.42Å; E260-L264 PolarHBondContact O-N 2.91Å
261L65.6Low62.6Low46 Ų4650.5 Ų50.524%0.24126%0.258CS..Hα-helixtrans-62.3-47.9174.6-80.1164.8000111.3A257 L258 R263 L264 V265 L354A257-L261 VanDerWaalsContact O-CB 3.22Å; A257-L261 WeakPolarHBondContact O-CB 3.42Å; A257-L261 WeakPolarHBondContact O-CD1 3.29Å; A257-L261 VanDerWaalsContact O-CG 3.23Å; A257-L261 WeakPolarHBondContact O-CG 3.45Å; A257-L261 PolarHBondContact O-N 2.77Å; L258-L261 PolarHBondContact O-N 3.01Å; L261-R263 VanDerWaalsContact C-N 3.25Å; L261-R263 PolarHBondContact O-N 2.83Å; L261-L264 PolarHBondContact O-N 2.87Å; L261-V265 VanDerWaalsContact O-CG2 3.23Å; L261-V265 WeakPolarHBondContact O-CG2 3.31Å; L261-V265 PolarHBondContact O-N 3.2Å; L261-L354 HydrophobicContact CB-CD1 4.25Å; L261-L354 HydrophobicContact CB-CD2 3.86Å
262H65.5Low64.2Low33 Ų3353.7 Ų53.715%0.15327%0.266CS..Hα-helixtrans-57.5-44178.1-174.2-97.8000110.9L258 W259 V265 I266 F337 L354 H357L258-H262 WeakPolarHBondContact O-CB 3.48Å; L258-H262 PolarHBondContact O-N 2.94Å; W259-H262 PolarHBondContact O-N 3.12Å; H262-V265 PolarHBondContact O-N 2.9Å; H262-I266 WeakPolarHBondContact CE1-CD1 3.44Å; H262-I266 WeakPolarHBondContact O-CG1 3.4Å; H262-I266 PolarHBondContact O-N 2.92Å; H262-F337 AromaticContact CD2-CZ 3.62Å; H262-F337 AromaticContact NE2-CZ 3.77Å; H262-L354 HydrophobicContact CB-CD2 3.72Å; H262-H357 VanDerWaalsContact NE2-C 3.35Å; H262-H357 PolarHBondContact NE2-O 2.63Å; H262-H357 VanDerWaalsContact NE2-O 3.14Å
263R64.1Low65.4Low12 Ų1254.7 Ų54.75%0.04527%0.267CS..Hα-helixtrans-60.4-50.7176.9-167.4-172.770170.7-6.5112.6L135 L136 W259 E260 L261 V265 I266 D267 Y280L135-R263 VanDerWaalsContact CD1-NH2 3.27Å; L135-R263 PolarHBondContact O-NH1 2.89Å; L136-R263 VanDerWaalsContact CD2-NH1 3.35Å; W259-R263 WeakPolarHBondContact O-CB 3.42Å; W259-R263 PolarHBondContact O-N 2.96Å; E260-R263 WeakPolarHBondContact O-CB 3.26Å; E260-R263 PolarHBondContact O-N 2.84Å; E260-R263 IonicContact OE1-CZ 3.02Å; E260-R263 IonicContact OE1-NH1 3.79Å; E260-R263 IonicContact OE1-NH2 2.65Å; E260-R263 PolarHBondContact OE1-NH2 3.44Å; E260-R263 IonicContact OE2-CZ 3.37Å; E260-R263 IonicContact OE2-NE 2.63Å; E260-R263 PolarHBondContact OE2-NE 2.95Å; E260-R263 IonicContact OE2-NH2 3.83Å; E260-R263 PolarHBondContact OE2-NH2 3.19Å; L261-R263 VanDerWaalsContact C-N 3.25Å; L261-R263 PolarHBondContact O-N 2.83Å; R263-V265 VanDerWaalsContact C-N 3.29Å; R263-V265 PolarHBondContact O-N 3.13Å; R263-I266 PolarHBondContact O-N 3.14Å; R263-D267 PolarHBondContact O-N 3.23Å; R263-Y280 WeakPolarHBondContact CD-OH 3.35Å; R263-Y280 WeakPolarHBondContact CG-OH 3.37Å
264L67.3Low66.5Low89 Ų8954.9 Ų54.947%0.46627%0.273SS..Hα-helixtrans-61.3-37.4178.1-71.9171000112.4E260 L261 S268E260-L264 VanDerWaalsContact O-CG 3.29Å; E260-L264 WeakPolarHBondContact O-CG 3.42Å; E260-L264 PolarHBondContact O-N 2.91Å; L261-L264 PolarHBondContact O-N 2.87Å; L264-S268 WeakPolarHBondContact O-CB 3.21Å; L264-S268 PolarHBondContact O-N 3.41Å
265V70.7Confident67.6Low5 Ų556.6 Ų56.63%0.0328%0.281CS..Hα-helixtrans-65.5-49.4175.7173.70000110.3L261 H262 R263 D267 S268 V269 F337 L340 V341 L344L261-V265 VanDerWaalsContact O-CG2 3.23Å; L261-V265 WeakPolarHBondContact O-CG2 3.31Å; L261-V265 PolarHBondContact O-N 3.2Å; H262-V265 PolarHBondContact O-N 2.9Å; R263-V265 VanDerWaalsContact C-N 3.29Å; R263-V265 PolarHBondContact O-N 3.13Å; V265-D267 VanDerWaalsContact C-N 3.31Å; V265-D267 PolarHBondContact O-N 3.39Å; V265-S268 PolarHBondContact O-N 2.78Å; V265-V269 HydrophobicContact CG1-CG2 4.42Å; V265-V269 WeakPolarHBondContact O-CG2 3.41Å; V265-V269 PolarHBondContact O-N 3.11Å; V265-F337 HydrophobicContact CB-CD2 4.37Å; V265-F337 HydrophobicContact CB-CE2 3.89Å; V265-F337 HydrophobicContact CB-CZ 4.49Å; V265-F337 HydrophobicContact CG1-CD2 3.35Å; V265-F337 HydrophobicContact CG1-CE1 4.47Å; V265-F337 HydrophobicContact CG1-CE2 3.23Å; V265-F337 HydrophobicContact CG1-CG 4.04Å; V265-F337 HydrophobicContact CG1-CZ 3.84Å; V265-L340 HydrophobicContact CB-CD2 4.27Å; V265-L340 HydrophobicContact CG1-CB 4.4Å; V265-L340 HydrophobicContact CG1-CD2 3.8Å; V265-L340 HydrophobicContact CG1-CG 4.22Å; V265-L340 HydrophobicContact CG2-CD2 4.45Å; V265-V341 HydrophobicContact CB-CG2 4.47Å; V265-V341 HydrophobicContact CG1-CG2 3.6Å; V265-V341 HydrophobicContact CG2-CG2 4.18Å; V265-L344 HydrophobicContact CG2-CD1 3.69Å
266I68.8Low68.5Low42 Ų4250.4 Ų50.422%0.21526%0.255CS..Hα-helixtrans-56.3-47176.3-72.2-175.6000110.7H262 R263 S268 V269 L270 Y280 F337H262-I266 WeakPolarHBondContact CE1-CD1 3.44Å; H262-I266 WeakPolarHBondContact O-CG1 3.4Å; H262-I266 PolarHBondContact O-N 2.92Å; R263-I266 PolarHBondContact O-N 3.14Å; I266-S268 PolarHBondContact O-N 3.39Å; I266-V269 PolarHBondContact O-N 3.41Å; I266-V269 VanDerWaalsContact O-N 3.16Å; I266-L270 HydrophobicContact CG2-CD1 3.59Å; I266-L270 HydrophobicContact CG2-CG 3.99Å; I266-L270 WeakPolarHBondContact O-CB 3.39Å; I266-L270 VanDerWaalsContact O-CG 3.32Å; I266-L270 WeakPolarHBondContact O-CG 3.29Å; I266-L270 PolarHBondContact O-N 2.92Å; I266-Y280 HydrophobicContact CG2-CD2 4.41Å; I266-Y280 HydrophobicContact CG2-CE2 3.91Å; I266-F337 HydrophobicContact CG1-CD2 4.1Å; I266-F337 HydrophobicContact CG1-CE2 3.78Å
267D66.4Low69Low34 Ų3453.2 Ų53.218%0.18227%0.267CS..Hα-helixtrans-59.7-46.5179.8-73.7-8.3000111.9R263 V265 V269 L270 Q271 Y280R263-D267 PolarHBondContact O-N 3.23Å; V265-D267 VanDerWaalsContact C-N 3.31Å; V265-D267 PolarHBondContact O-N 3.39Å; D267-V269 VanDerWaalsContact C-N 3.26Å; D267-V269 PolarHBondContact O-N 3.15Å; D267-L270 PolarHBondContact O-N 3.12Å; D267-Q271 WeakPolarHBondContact O-CG 3.22Å; D267-Q271 PolarHBondContact O-N 3.12Å; D267-Q271 VanDerWaalsContact O-N 3.11Å; D267-Y280 VanDerWaalsContact CG-OH 3.29Å; D267-Y280 WeakPolarHBondContact OD1-CE2 3.4Å; D267-Y280 PolarHBondContact OD1-OH 3.32Å; D267-Y280 PolarHBondContact OD2-OH 3.08Å
268S74.5Confident69.3Low41 Ų4151.7 Ų51.729%0.28725%0.252SS..Hα-helixtrans-62.7-34.3177.6-177.90000112.2L264 V265 I266 H272L264-S268 WeakPolarHBondContact O-CB 3.21Å; L264-S268 PolarHBondContact O-N 3.41Å; V265-S268 PolarHBondContact O-N 2.78Å; I266-S268 PolarHBondContact O-N 3.39Å; S268-H272 PolarHBondContact O-CE1 2.97Å; S268-H272 PolarHBondContact O-ND1 2.95Å
269V79.1Confident69.2Low4 Ų451.6 Ų51.62%0.02425%0.251CS..Hα-helixtrans-72.8-48.9176.6174.60000110V265 I266 D267 Q271 H272 Y273 V333 D336 F337 L340V265-V269 HydrophobicContact CG1-CG2 4.42Å; V265-V269 WeakPolarHBondContact O-CG2 3.41Å; V265-V269 PolarHBondContact O-N 3.11Å; I266-V269 PolarHBondContact O-N 3.41Å; I266-V269 VanDerWaalsContact O-N 3.16Å; D267-V269 VanDerWaalsContact C-N 3.26Å; D267-V269 PolarHBondContact O-N 3.15Å; V269-Q271 PolarHBondContact O-N 3.34Å; V269-Q271 VanDerWaalsContact O-N 3.11Å; V269-H272 WeakPolarHBondContact O-CB 3.41Å; V269-H272 PolarHBondContact O-N 2.89Å; V269-H272 PolarHBondContact O-ND1 2.56Å; V269-Y273 HydrophobicContact CG1-CD2 4.26Å; V269-Y273 HydrophobicContact CG1-CE2 4.13Å; V269-Y273 WeakPolarHBondContact O-CD2 3.36Å; V269-V333 HydrophobicContact CG1-CB 3.58Å; V269-V333 HydrophobicContact CG1-CG1 4.08Å; V269-V333 HydrophobicContact CG1-CG2 4.17Å; V269-D336 HydrophobicContact CG1-CB 3.98Å; V269-F337 HydrophobicContact CG2-CB 4.2Å; V269-F337 HydrophobicContact CG2-CD2 4.47Å; V269-L340 HydrophobicContact CG2-CB 4.4Å; V269-L340 HydrophobicContact CG2-CD2 3.88Å
270L72.8Confident69Low7 Ų750.1 Ų50.14%0.03725%0.246CC..Hα-helixtrans-61.9-19.6-179.8-70.7179.4000113.8I266 D267 H272 Y273 Q277 Y280 M329I266-L270 HydrophobicContact CG2-CD1 3.59Å; I266-L270 HydrophobicContact CG2-CG 3.99Å; I266-L270 WeakPolarHBondContact O-CB 3.39Å; I266-L270 VanDerWaalsContact O-CG 3.32Å; I266-L270 WeakPolarHBondContact O-CG 3.29Å; I266-L270 PolarHBondContact O-N 2.92Å; D267-L270 PolarHBondContact O-N 3.12Å; L270-H272 PolarHBondContact O-N 3.45Å; L270-Y273 CarbonylContact O-C 3.54Å; L270-Y273 PolarHBondContact O-N 3.18Å; L270-Q277 HydrophobicContact CB-CG 4.42Å; L270-Q277 VanDerWaalsContact O-CG 3.32Å; L270-Q277 WeakPolarHBondContact O-CG 3.37Å; L270-Q277 PolarHBondContact O-NE2 3.25Å; L270-Y280 HydrophobicContact CD1-CD2 4.03Å; L270-M329 HydrophobicContact CD2-CG 3.81Å; L270-M329 HydrophobicContact CD2-SD 4.03Å
271Q75Confident68.4Low140 Ų14048.3 Ų48.365%0.65424%0.238SC*.THydrogen-bonded Turntrans-58.2-31.5168.6-76.4177.51400113D267 V269 Y273D267-Q271 WeakPolarHBondContact O-CG 3.22Å; D267-Q271 PolarHBondContact O-N 3.12Å; D267-Q271 VanDerWaalsContact O-N 3.11Å; V269-Q271 PolarHBondContact O-N 3.34Å; V269-Q271 VanDerWaalsContact O-N 3.11Å; Q271-Y273 VanDerWaalsContact C-N 3.34Å
272H81.8Confident67.6Low131 Ų13148.8 Ų48.861%0.60625%0.254SS*.THydrogen-bonded Turntrans-82.7-12.2175.7-54.5100.1000113.3S268 V269 L270 P274S268-H272 PolarHBondContact O-CE1 2.97Å; S268-H272 PolarHBondContact O-ND1 2.95Å; V269-H272 WeakPolarHBondContact O-CB 3.41Å; V269-H272 PolarHBondContact O-N 2.89Å; V269-H272 PolarHBondContact O-ND1 2.56Å; L270-H272 PolarHBondContact O-N 3.45Å; H272-P274 VanDerWaalsContact C-CD 3.41Å; H272-P274 VanDerWaalsContact O-CD 3.29Å; H272-P274 WeakPolarHBondContact O-CD 3.43Å
273Y78.9Confident66.9Low49 Ų4949.8 Ų49.819%0.19226%0.257CS..  trans-122.566.4-177.4-60.5-92.8000111.4V269 L270 Q271 K275 Y276 A332 V333 D336V269-Y273 HydrophobicContact CG1-CD2 4.26Å; V269-Y273 HydrophobicContact CG1-CE2 4.13Å; V269-Y273 WeakPolarHBondContact O-CD2 3.36Å; L270-Y273 CarbonylContact O-C 3.54Å; L270-Y273 PolarHBondContact O-N 3.18Å; Q271-Y273 VanDerWaalsContact C-N 3.34Å; Y273-K275 PolarHBondContact O-N 3.16Å; Y273-Y276 HydrophobicContact CD1-CD2 4.14Å; Y273-Y276 AromaticContact CD1-CE2 3.96Å; Y273-Y276 HydrophobicContact CD1-CE2 3.96Å; Y273-Y276 HydrophobicContact CG-CD2 4.13Å; Y273-Y276 HydrophobicContact CG-CE2 4.42Å; Y273-Y276 PolarHBondContact O-N 3.27Å; Y273-A332 PolarHBondContact OH-O 3.37Å; Y273-V333 HydrophobicContact CD1-CG1 4.08Å; Y273-V333 HydrophobicContact CD2-CB 4.46Å; Y273-V333 HydrophobicContact CD2-CG1 3.53Å; Y273-V333 HydrophobicContact CE1-CG1 4.23Å; Y273-V333 HydrophobicContact CE2-CB 4.31Å; Y273-V333 HydrophobicContact CE2-CG1 3.75Å; Y273-V333 HydrophobicContact CG-CG1 3.74Å; Y273-D336 HydrophobicContact CE2-CB 4.32Å; Y273-D336 VanDerWaalsContact CE2-OD2 3.23Å; Y273-D336 WeakPolarHBondContact CE2-OD2 3.41Å; Y273-D336 VanDerWaalsContact CZ-OD2 3.3Å; Y273-D336 PolarHBondContact OH-OD2 3.18Å
274P73.9Confident66.4Low91 Ų9153.6 Ų53.659%0.59128%0.276SS*.THydrogen-bonded Turntrans-57.9-24.5-175.923.1-34.1000113.5H272 Y276H272-P274 VanDerWaalsContact C-CD 3.41Å; H272-P274 VanDerWaalsContact O-CD 3.29Å; H272-P274 WeakPolarHBondContact O-CD 3.43Å; P274-Y276 PolarHBondContact O-N 2.94Å
275K75.6Confident65.9Low91 Ų9157.7 Ų57.740%0.39629%0.293SS..THydrogen-bonded Turntrans-62.5-25.6173.657.2168.7168.7167.90113.8Y273 H278Y273-K275 PolarHBondContact O-N 3.16Å; K275-H278 PolarHBondContact O-CE1 3.44Å; K275-H278 PolarHBondContact O-ND1 2.92Å
276Y71.9Confident65.5Low5 Ų559.4 Ų59.42%0.0230%0.304CS..THydrogen-bonded Turntrans-104.8-7.3-177.1-53.9-43.8000114.1Y273 P274 H278 Y279 M329 A332 V333Y273-Y276 HydrophobicContact CD1-CD2 4.14Å; Y273-Y276 AromaticContact CD1-CE2 3.96Å; Y273-Y276 HydrophobicContact CD1-CE2 3.96Å; Y273-Y276 HydrophobicContact CG-CD2 4.13Å; Y273-Y276 HydrophobicContact CG-CE2 4.42Å; Y273-Y276 PolarHBondContact O-N 3.27Å; P274-Y276 PolarHBondContact O-N 2.94Å; Y276-H278 PolarHBondContact O-N 3.22Å; Y276-Y279 WeakPolarHBondContact O-CB 3.1Å; Y276-Y279 PolarHBondContact O-N 3.34Å; Y276-M329 HydrophobicContact CD1-CB 4.11Å; Y276-M329 HydrophobicContact CD2-CB 3.87Å; Y276-M329 HydrophobicContact CD2-CG 3.73Å; Y276-M329 HydrophobicContact CE2-CB 4.29Å; Y276-M329 HydrophobicContact CE2-CG 4.5Å; Y276-M329 HydrophobicContact CG-CB 3.77Å; Y276-M329 HydrophobicContact CG-CG 3.8Å; Y276-A332 HydrophobicContact CE2-CB 3.67Å; Y276-V333 HydrophobicContact CD2-CG1 4.38Å
277Q64.4Low65.5Low87 Ų8761.3 Ų61.341%0.40731%0.314SS..THydrogen-bonded Turntrans-60.7-20.9-176.5-76.2-179.4-2.100115.4L270 Y279L270-Q277 HydrophobicContact CB-CG 4.42Å; L270-Q277 VanDerWaalsContact O-CG 3.32Å; L270-Q277 WeakPolarHBondContact O-CG 3.37Å; L270-Q277 PolarHBondContact O-NE2 3.25Å; Q277-Y279 PolarHBondContact O-N 3.23Å
278H61.7Low65.5Low13 Ų1359.7 Ų59.76%0.0631%0.306CS..THydrogen-bonded Turntrans-71.3-20.9175.165.6-81.2000111.5K275 Y276 Y280 C288 L291 R292 C325K275-H278 PolarHBondContact O-CE1 3.44Å; K275-H278 PolarHBondContact O-ND1 2.92Å; Y276-H278 PolarHBondContact O-N 3.22Å; H278-Y280 PolarHBondContact O-N 3.46Å; H278-C288 VanDerWaalsContact CE1-SG 3.55Å; H278-C288 PolarHBondContact NE2-SG 3.36Å; H278-L291 HydrophobicContact CB-CB 4.5Å; H278-L291 WeakPolarHBondContact O-CB 3.41Å; H278-R292 HydrophobicContact CB-CB 3.9Å; H278-R292 HydrophobicContact CB-CG 4.29Å; H278-C325 VanDerWaalsContact CE1-SG 3.57Å; H278-C325 PolarHBondContact NE2-SG 3.21Å
279Y58.1Low65.1Low12 Ų1260.4 Ų60.45%0.04731%0.314CS..  trans-93.493.4176.3-171-86.2000109.6Y276 Q277 L291 A322 H326 M329Y276-Y279 WeakPolarHBondContact O-CB 3.1Å; Y276-Y279 PolarHBondContact O-N 3.34Å; Q277-Y279 PolarHBondContact O-N 3.23Å; Y279-L291 HydrophobicContact CD2-CD1 4.03Å; Y279-A322 HydrophobicContact CD2-CB 3.85Å; Y279-A322 WeakPolarHBondContact CD2-O 3.24Å; Y279-A322 HydrophobicContact CE2-CB 3.78Å; Y279-A322 WeakPolarHBondContact CE2-O 3.41Å; Y279-H326 HydrophobicContact CD1-CB 4.31Å; Y279-H326 AromaticContact CD1-ND1 3.87Å; Y279-H326 HydrophobicContact CE1-CB 3.64Å; Y279-H326 AromaticContact CE1-CE1 3.9Å; Y279-H326 AromaticContact CE1-CG 3.54Å; Y279-H326 AromaticContact CE1-ND1 2.96Å; Y279-H326 WeakPolarHBondContact CE1-ND1 3.44Å; Y279-H326 HydrophobicContact CE2-CB 3.88Å; Y279-H326 AromaticContact CZ-CG 3.51Å; Y279-H326 AromaticContact CZ-ND1 3.44Å; Y279-H326 VanDerWaalsContact OH-CB 3.31Å; Y279-H326 WeakPolarHBondContact OH-CB 3.41Å; Y279-H326 PolarHBondContact OH-ND1 3.34Å; Y279-M329 HydrophobicContact CD1-CE 3.85Å; Y279-M329 HydrophobicContact CE1-CE 4.14Å
280Y51.6Low64.3Low72 Ų7262.3 Ų62.328%0.28233%0.33SS..  trans-142.53.8167.6-161-101.1000111.9R263 I266 D267 L270 H278 G282R263-Y280 WeakPolarHBondContact CD-OH 3.35Å; R263-Y280 WeakPolarHBondContact CG-OH 3.37Å; I266-Y280 HydrophobicContact CG2-CD2 4.41Å; I266-Y280 HydrophobicContact CG2-CE2 3.91Å; D267-Y280 VanDerWaalsContact CG-OH 3.29Å; D267-Y280 WeakPolarHBondContact OD1-CE2 3.4Å; D267-Y280 PolarHBondContact OD1-OH 3.32Å; D267-Y280 PolarHBondContact OD2-OH 3.08Å; L270-Y280 HydrophobicContact CD1-CD2 4.03Å; H278-Y280 PolarHBondContact O-N 3.46Å; Y280-G282 VanDerWaalsContact C-N 3.3Å; Y280-G282 PolarHBondContact O-N 3.24Å
281S48.9Very low63.6Low10 Ų1062.3 Ų62.37%0.0733%0.33CS..SBendtrans-82.3-7.5-169.559.20000113.4N102 R283 L291N102-S281 WeakPolarHBondContact CB-O 3.47Å; N102-S281 WeakPolarHBondContact ND2-CA 3.33Å; N102-S281 PolarHBondContact ND2-O 3.38Å; S281-R283 PolarHBondContact O-N 3.16Å; S281-R283 WeakPolarHBondContact OG-CB 3.25Å; S281-R283 PolarHBondContact OG-N 2.86Å; S281-L291 WeakPolarHBondContact OG-CD2 3.48Å
282G48.9Very low62.8Low56 Ų5661.5 Ų61.558%0.57732%0.321SS*.  trans5910.8-168.800000113.6Y280 M284Y280-G282 VanDerWaalsContact C-N 3.3Å; Y280-G282 PolarHBondContact O-N 3.24Å; G282-M284 PolarHBondContact O-N 3.35Å
283R50.3Low61.3Low55 Ų5559.3 Ų59.321%0.20832%0.32CS..  trans-92.294.7-177.6-65.3-171.9178.4-168.3-2.5109.7G79 N102 G103 S281 E285 V286 L291 A322G79-R283 VanDerWaalsContact CA-NH2 3.31Å; N102-R283 PolarHBondContact O-NE 3.14Å; N102-R283 PolarHBondContact O-NH2 3.04Å; G103-R283 VanDerWaalsContact CA-NH2 3.3Å; G103-R283 PolarHBondContact O-NH2 3.46Å; S281-R283 PolarHBondContact O-N 3.16Å; S281-R283 WeakPolarHBondContact OG-CB 3.25Å; S281-R283 PolarHBondContact OG-N 2.86Å; R283-E285 VanDerWaalsContact C-N 3.31Å; R283-E285 PolarHBondContact O-N 3.24Å; R283-V286 HydrophobicContact CB-CB 4.3Å; R283-V286 HydrophobicContact CB-CG2 3.81Å; R283-V286 HydrophobicContact CG-CG2 4.41Å; R283-L291 HydrophobicContact CB-CD2 4.5Å; R283-A322 WeakPolarHBondContact O-CB 3.35Å
284M53Low59.7Low91 Ų9161.2 Ų61.245%0.44834%0.341SS..THydrogen-bonded Turntrans-68.3-29.8178.8-72.6-174.874.800112.7G282 W323G282-M284 PolarHBondContact O-N 3.35Å; M284-W323 HydrophobicContact CB-CB 3.84Å; M284-W323 HydrophobicContact CE-CB 3.7Å; M284-W323 HydrophobicContact CG-CB 4.21Å; M284-W323 WeakPolarHBondContact O-CB 3.42Å; M284-W323 VanDerWaalsContact O-CD1 3.31Å; M284-W323 PolarHBondContact O-N 3.09Å
285E57.9Low58.2Low175 Ų17561.4 Ų61.482%0.81834%0.34SS*.THydrogen-bonded Turntrans-96.711.9-169.7-58.7-174.7166.300115.3R283 M321R283-E285 VanDerWaalsContact C-N 3.31Å; R283-E285 PolarHBondContact O-N 3.24Å; E285-M321 VanDerWaalsContact C-CE 3.5Å; E285-M321 VanDerWaalsContact O-CE 3.3Å; E285-M321 WeakPolarHBondContact O-CE 3.41Å
286V61.5Low56.5Low42 Ų4261.1 Ų61.126%0.25535%0.349SS..SBendtrans-103.9148.9-178.71790000110.5R283 C288 A290 L291 A322R283-V286 HydrophobicContact CB-CB 4.3Å; R283-V286 HydrophobicContact CB-CG2 3.81Å; R283-V286 HydrophobicContact CG-CG2 4.41Å; V286-C288 PolarHBondContact O-N 2.89Å; V286-A290 HydrophobicContact CG1-CB 3.84Å; V286-L291 HydrophobicContact CB-CD2 4.35Å; V286-L291 HydrophobicContact CB-CG 4.42Å; V286-L291 HydrophobicContact CG1-CD2 4.08Å; V286-L291 HydrophobicContact CG1-CG 4.1Å; V286-A322 WeakPolarHBondContact O-CB 3.37Å; V286-A322 PolarHBondContact O-N 3.07Å
287D69.3Low54.7Low81 Ų8168.8 Ų68.843%0.43338%0.382SS..BIsolated β-bridgetrans-57.4132.6172.5-69.3-31.3000111.6A289 A290 L291 V320D287-A289 PolarHBondContact O-N 2.96Å; D287-A289 VanDerWaalsContact O-N 3.1Å; D287-A290 HydrophobicContact CB-CB 4.21Å; D287-A290 WeakPolarHBondContact O-CB 3.41Å; D287-A290 PolarHBondContact O-N 2.89Å; D287-L291 PolarHBondContact O-N 2.91Å; D287-V320 CarbonylContact C-O 3.58Å; D287-V320 VanDerWaalsContact CA-O 3.3Å; D287-V320 WeakPolarHBondContact CA-O 3.32Å
288C66.5Low53.1Low1 Ų175 Ų751%0.00741%0.408CS..Hα-helixtrans-52.9-37.9178.7-165.10000110.8H278 V286 A290 A315 C317 H319 V320H278-C288 VanDerWaalsContact CE1-SG 3.55Å; H278-C288 PolarHBondContact NE2-SG 3.36Å; V286-C288 PolarHBondContact O-N 2.89Å; C288-A290 PolarHBondContact O-N 2.64Å; C288-A315 HydrophobicContact CB-CB 3.96Å; C288-C317 WeakPolarHBondContact CB-SG 3.34Å; C288-C317 WeakPolarHBondContact SG-CB 3.29Å; C288-C317 CovalentContact SG-SG 2.07Å; C288-C317 PolarHBondContact SG-SG 3.02Å; C288-H319 HydrophobicContact CB-CB 4.21Å; C288-H319 WeakPolarHBondContact CB-O 3.42Å; C288-V320 PolarHBondContact N-O 3.18Å
289A66.2Low51.7Low55 Ų5583.1 Ų83.146%0.45544%0.443SS..Hα-helixtrans-65.9-33.617800000113.9D287 A315D287-A289 PolarHBondContact O-N 2.96Å; D287-A289 VanDerWaalsContact O-N 3.1Å; A289-A315 HydrophobicContact CB-CB 4.35Å
290A63.2Low50.3Low44 Ų4491.8 Ų91.836%0.36448%0.484SS..Hα-helixtrans-71.2-36.3-178.700000111.8V286 D287 C288 R292 S293V286-A290 HydrophobicContact CG1-CB 3.84Å; D287-A290 HydrophobicContact CB-CB 4.21Å; D287-A290 WeakPolarHBondContact O-CB 3.41Å; D287-A290 PolarHBondContact O-N 2.89Å; C288-A290 PolarHBondContact O-N 2.64Å; A290-R292 VanDerWaalsContact C-N 3.29Å; A290-R292 PolarHBondContact O-N 3.36Å; A290-S293 PolarHBondContact O-N 3.37Å; A290-S293 PolarHBondContact O-OG 2.92Å
291L56.6Low49.4Very low7 Ų796.9 Ų96.94%0.03751%0.512CS..Hα-helixtrans-65.9-26.5179.9-68.2179.9000113.9H278 Y279 S281 R283 V286 D287 S293 S294 A322H278-L291 HydrophobicContact CB-CB 4.5Å; H278-L291 WeakPolarHBondContact O-CB 3.41Å; Y279-L291 HydrophobicContact CD2-CD1 4.03Å; S281-L291 WeakPolarHBondContact OG-CD2 3.48Å; R283-L291 HydrophobicContact CB-CD2 4.5Å; V286-L291 HydrophobicContact CB-CD2 4.35Å; V286-L291 HydrophobicContact CB-CG 4.42Å; V286-L291 HydrophobicContact CG1-CD2 4.08Å; V286-L291 HydrophobicContact CG1-CG 4.1Å; D287-L291 PolarHBondContact O-N 2.91Å; L291-S293 VanDerWaalsContact C-N 3.35Å; L291-S294 PolarHBondContact O-OG 3.33Å; L291-A322 HydrophobicContact CD1-CB 3.46Å; L291-A322 VanDerWaalsContact CD1-CB 3.46Å
292R58.3Low48.6Very low123 Ų123101.8 Ų101.846%0.46454%0.544SS..Hα-helixtrans-71.8-29.8176.7-166.5-179.7-177-176.45.2112.7H278 A290 S294 V295 C296 P316H278-R292 HydrophobicContact CB-CB 3.9Å; H278-R292 HydrophobicContact CB-CG 4.29Å; A290-R292 VanDerWaalsContact C-N 3.29Å; A290-R292 PolarHBondContact O-N 3.36Å; R292-S294 VanDerWaalsContact C-N 3.27Å; R292-S294 PolarHBondContact O-N 3.02Å; R292-V295 PolarHBondContact O-N 3.25Å; R292-C296 PolarHBondContact O-N 3.09Å; R292-P316 VanDerWaalsContact NH1-CD 3.33Å
293S49.9Very low47.9Very low86 Ų86108.7 Ų108.760%0.60156%0.558SS**Hα-helixtrans-65.8-30.8-177.6730000112.5A290 L291A290-S293 PolarHBondContact O-N 3.37Å; A290-S293 PolarHBondContact O-OG 2.92Å; L291-S293 VanDerWaalsContact C-N 3.35Å
294S46.7Very low47Very low89 Ų89115.1 Ų115.162%0.62258%0.582SS**Hα-helixtrans-72.5-26.2175.829.80000114.4L291 R292L291-S294 PolarHBondContact O-OG 3.33Å; R292-S294 VanDerWaalsContact C-N 3.27Å; R292-S294 PolarHBondContact O-N 3.02Å
295V42.7Very low46.3Very low95 Ų95116 Ų11658%0.57659%0.593SS**Hα-helixtrans-92.4-27.4-174.9-176.10000112.2R292R292-V295 PolarHBondContact O-N 3.25Å
296C39.7Very low45.1Very low85 Ų85116.6 Ų116.657%0.57459%0.593SS**Hα-helixtrans-104.1-10.2-168.9-75.30000117.6R292R292-C296 PolarHBondContact O-N 3.09Å
297K33.5Very low43.6Very low166 Ų166122.7 Ų122.772%0.72262%0.624SS**  trans-146.3106.1-175.5-67.6-173.1-179.5174.70115.4K299K297-K299 PolarHBondContact O-N 2.93Å
298K31.5Very low42Very low217 Ų217126.4 Ų126.494%0.94364%0.638SS**  trans-65.368.4145.6-73.5-175.3176179.50109.7
299K30.6Very low40.5Very low183 Ų183133.9 Ų133.980%0.79668%0.675SS**SBendtrans-148128.1165.4-72.3-165177.2-179.50108.8K297K297-K299 PolarHBondContact O-N 2.93Å
300Q30.7Very low39.2Very low195 Ų195141.2 Ų141.291%0.91169%0.693SS**  trans-16.4122.7179.7-77.7168.3-13.900115.5
301M32Very low38Very low179 Ų179148.3 Ų148.388%0.88271%0.71SS**PPolyproline II helixtrans-63.4135.2165.2-79.2-17672.200110
302P32.7Very low37.5Very low113 Ų113153.8 Ų153.873%0.73474%0.738SS**PPolyproline II helixtrans-68.5143.3173.3-3.918.5000110.6
303K34.2Very low37Very low201 Ų201154.5 Ų154.587%0.87475%0.752SS**SBendtrans-65.1129.6172.6-70.8177.9176.7177.50109.9
304R31.3Very low37.3Very low190 Ų190159.2 Ų159.272%0.71776%0.761SS**  trans38.398.6157.2-76.4176.3157.2-170.4-19.2116.2E157E157-R304 IonicContact OE1-CZ 3Å; E157-R304 IonicContact OE1-NH1 3.68Å; E157-R304 PolarHBondContact OE1-NH1 2.91Å; E157-R304 VanDerWaalsContact OE1-NH1 3.15Å; E157-R304 IonicContact OE1-NH2 2.76Å; E157-R304 PolarHBondContact OE1-NH2 3.38Å; E157-R304 IonicContact OE2-CZ 3.46Å; E157-R304 IonicContact OE2-NE 3.15Å; E157-R304 PolarHBondContact OE2-NE 3.46Å; E157-R304 IonicContact OE2-NH1 2.65Å; E157-R304 IonicContact OE2-NH2 3.1Å; E157-R304 PolarHBondContact OE2-NH2 2.88Å
305V37.2Very low37.8Very low109 Ų109156 Ų15666%0.66174%0.74SS**  trans-110116.1156.8-177.10000107.8
306K32.2Very low38.7Very low188 Ų188154.7 Ų154.782%0.81773%0.734SS**  trans-67.9138171.3-72.3176.2173.6179.40108.6E308K306-E308 PolarHBondContact O-N 3.29Å; K306-E308 VanDerWaalsContact O-N 3.09Å
307N30.9Very low40.1Very low170 Ų170151.3 Ų151.391%0.90971%0.711SS**SBendtrans13.682.3155.6-69.4-5.7000116
308E36.2Very low42Very low159 Ų159146.8 Ų146.874%0.74371%0.711SS**  trans-133.7128.3158.2-79.6-174.7160.600107.8K306 Y310K306-E308 PolarHBondContact O-N 3.29Å; K306-E308 VanDerWaalsContact O-N 3.09Å; E308-Y310 PolarHBondContact O-N 2.93Å
309M34.4Very low44.1Very low158 Ų158138.1 Ų138.178%0.77867%0.674SS**  trans-43.799.8170.2-74156.350.200110.3R311M309-R311 PolarHBondContact O-N 3.18Å
310Y38.4Very low46.1Very low209 Ų209132.6 Ų132.682%0.8266%0.655SS**  trans-71.986.7166-105.4-89.9000107.7E308 L312E308-Y310 PolarHBondContact O-N 2.93Å; Y310-L312 PolarHBondContact O-N 3.31Å
311R38.9Very low48.1Very low192 Ų192125.6 Ų125.673%0.72562%0.623SS**  trans-56.399.6169.2-80.8-179.9170.1167.9-3110.1M309 D313M309-R311 PolarHBondContact O-N 3.18Å; R311-D313 VanDerWaalsContact C-N 3.29Å; R311-D313 PolarHBondContact O-N 3.33Å
312L45.4Very low49.5Very low122 Ų122117.1 Ų117.164%0.63958%0.581SS**SBend52.1-4.3119.7-74.4160.1000122.8Y310 V320Y310-L312 PolarHBondContact O-N 3.31Å; L312-V320 HydrophobicContact CD2-CB 4.06Å; L312-V320 HydrophobicContact CD2-CG1 3.78Å; L312-V320 HydrophobicContact CD2-CG2 3.3Å
313D47.6Very low50.9Low139 Ų139117.2 Ų117.274%0.74357%0.567SS**  trans-11015.1-166-65.6-16000117.1R311R311-D313 VanDerWaalsContact C-N 3.29Å; R311-D313 PolarHBondContact O-N 3.33Å
314K56.8Low52.7Low184 Ų184110.3 Ų110.380%0.854%0.538SS*.  trans-138.15.8-167.9-67.4-170.8-178.4176.20119.2P316K314-P316 WeakPolarHBondContact O-CD 3.32Å
315A57.7Low54.5Low21 Ų21101.3 Ų101.317%0.17450%0.504CS..  trans-85.8118.6171.800000109.4C288 A289 C317 G318C288-A315 HydrophobicContact CB-CB 3.96Å; A289-A315 HydrophobicContact CB-CB 4.35Å; A315-C317 WeakPolarHBondContact CB-SG 3.33Å; A315-C317 PolarHBondContact O-N 2.67Å; A315-G318 PolarHBondContact O-N 2.94Å
316P61.8Low55.8Low69 Ų6997.7 Ų97.745%0.44848%0.48SS..THydrogen-bonded Turntrans-63.9-11.3177.228-35.4000112.6R292 K314 G318R292-P316 VanDerWaalsContact NH1-CD 3.33Å; K314-P316 WeakPolarHBondContact O-CD 3.32Å; P316-G318 VanDerWaalsContact C-N 3.33Å
317C69.2Low57.5Low14 Ų1492.6 Ų92.610%0.09546%0.459CS..THydrogen-bonded Turntrans-70.8-26.2170.473.70000112.7C288 A315 H319C288-C317 WeakPolarHBondContact CB-SG 3.34Å; C288-C317 WeakPolarHBondContact SG-CB 3.29Å; C288-C317 CovalentContact SG-SG 2.07Å; C288-C317 PolarHBondContact SG-SG 3.02Å; A315-C317 WeakPolarHBondContact CB-SG 3.33Å; A315-C317 PolarHBondContact O-N 2.67Å; C317-H319 PolarHBondContact O-CE1 3.03Å; C317-H319 VanDerWaalsContact O-CE1 3.22Å; C317-H319 PolarHBondContact O-N 3.09Å; C317-H319 PolarHBondContact O-ND1 3.22Å; C317-H319 VanDerWaalsContact O-ND1 3.14Å; C317-H319 PolarHBondContact SG-N 3.36Å
318G71.5Confident59.7Low71 Ų7187 Ų8773%0.73243%0.431SS*.  trans78.3-2.3-172.800000115.4A315 P316A315-G318 PolarHBondContact O-N 2.94Å; P316-G318 VanDerWaalsContact C-N 3.33Å
319H76.4Confident61.6Low35 Ų3580 Ų8016%0.16240%0.399CS..  trans-93.7148.7-176.4-54.7105.1000112.7C288 C317 E324 C325 T328C288-H319 HydrophobicContact CB-CB 4.21Å; C288-H319 WeakPolarHBondContact CB-O 3.42Å; C317-H319 PolarHBondContact O-CE1 3.03Å; C317-H319 VanDerWaalsContact O-CE1 3.22Å; C317-H319 PolarHBondContact O-N 3.09Å; C317-H319 PolarHBondContact O-ND1 3.22Å; C317-H319 VanDerWaalsContact O-ND1 3.14Å; C317-H319 PolarHBondContact SG-N 3.36Å; H319-E324 HydrophobicContact CB-CB 3.93Å; H319-C325 HydrophobicContact CB-CB 4.03Å; H319-C325 WeakPolarHBondContact ND1-CA 3.47Å; H319-C325 WeakPolarHBondContact ND1-CB 3.35Å; H319-T328 WeakPolarHBondContact NE2-CB 3.4Å; H319-T328 PolarHBondContact NE2-OG1 3.3Å
320V71.8Confident63.3Low66 Ų6675.8 Ų75.840%0.438%0.376SS..SBendtrans-80.8-54.7174-172.90000108D287 C288 L312 E324D287-V320 CarbonylContact C-O 3.58Å; D287-V320 VanDerWaalsContact CA-O 3.3Å; D287-V320 WeakPolarHBondContact CA-O 3.32Å; C288-V320 PolarHBondContact N-O 3.18Å; L312-V320 HydrophobicContact CD2-CB 4.06Å; L312-V320 HydrophobicContact CD2-CG1 3.78Å; L312-V320 HydrophobicContact CD2-CG2 3.3Å; V320-E324 PolarHBondContact N-OE2 3Å
321M73.2Confident65.1Low49 Ų4973 Ų7324%0.24137%0.37CS..BIsolated β-bridgetrans-103148.4-176-60.9-63-70.200111.1E285 W323 E324 C325E285-M321 VanDerWaalsContact C-CE 3.5Å; E285-M321 VanDerWaalsContact O-CE 3.3Å; E285-M321 WeakPolarHBondContact O-CE 3.41Å; M321-W323 VanDerWaalsContact C-N 3.27Å; M321-W323 HydrophobicContact CB-CG 4.22Å; M321-W323 VanDerWaalsContact CB-NE1 3.29Å; M321-W323 PolarHBondContact O-N 3.17Å; M321-E324 HydrophobicContact CB-CG 4.21Å; M321-E324 PolarHBondContact N-OE2 3.41Å; M321-E324 VanDerWaalsContact N-OE2 3.08Å; M321-E324 WeakPolarHBondContact O-CB 3.46Å; M321-E324 PolarHBondContact O-N 3.44Å; M321-C325 PolarHBondContact O-N 3.27Å
322A62.6Low67Low0 Ų065.7 Ų65.70%035%0.351CS..Hα-helixtrans-62.9-32.517900000112.7Y279 R283 V286 L291 E324 C325 H326Y279-A322 HydrophobicContact CD2-CB 3.85Å; Y279-A322 WeakPolarHBondContact CD2-O 3.24Å; Y279-A322 HydrophobicContact CE2-CB 3.78Å; Y279-A322 WeakPolarHBondContact CE2-O 3.41Å; R283-A322 WeakPolarHBondContact O-CB 3.35Å; V286-A322 WeakPolarHBondContact O-CB 3.37Å; V286-A322 PolarHBondContact O-N 3.07Å; L291-A322 HydrophobicContact CD1-CB 3.46Å; L291-A322 VanDerWaalsContact CD1-CB 3.46Å; A322-E324 VanDerWaalsContact C-N 3.35Å; A322-E324 PolarHBondContact O-N 3.33Å; A322-C325 WeakPolarHBondContact O-CB 3.21Å; A322-C325 PolarHBondContact O-N 3.33Å; A322-H326 PolarHBondContact O-N 3.07Å
323W61.4Low68.6Low116 Ų11660.5 Ų60.544%0.43932%0.324SS..Hα-helixtrans-64-36.2174.671.5-96.6000113.3M284 M321 C325 H326 E327M284-W323 HydrophobicContact CB-CB 3.84Å; M284-W323 HydrophobicContact CE-CB 3.7Å; M284-W323 HydrophobicContact CG-CB 4.21Å; M284-W323 WeakPolarHBondContact O-CB 3.42Å; M284-W323 VanDerWaalsContact O-CD1 3.31Å; M284-W323 PolarHBondContact O-N 3.09Å; M321-W323 VanDerWaalsContact C-N 3.27Å; M321-W323 HydrophobicContact CB-CG 4.22Å; M321-W323 VanDerWaalsContact CB-NE1 3.29Å; M321-W323 PolarHBondContact O-N 3.17Å; W323-C325 VanDerWaalsContact C-N 3.28Å; W323-C325 PolarHBondContact O-N 3.26Å; W323-H326 VanDerWaalsContact O-CB 3.32Å; W323-H326 WeakPolarHBondContact O-CB 3.42Å; W323-H326 PolarHBondContact O-N 3.33Å; W323-E327 HydrophobicContact CE3-CG 4.49Å; W323-E327 PolarHBondContact O-N 3.32Å
324E71.5Confident70.2Confident56 Ų5656.4 Ų56.426%0.26230%0.304SS..Hα-helixtrans-64.5-40.4175.1-60.1169.8159.300109.8H319 V320 M321 A322 H326 T328H319-E324 HydrophobicContact CB-CB 3.93Å; V320-E324 PolarHBondContact N-OE2 3Å; M321-E324 HydrophobicContact CB-CG 4.21Å; M321-E324 PolarHBondContact N-OE2 3.41Å; M321-E324 VanDerWaalsContact N-OE2 3.08Å; M321-E324 WeakPolarHBondContact O-CB 3.46Å; M321-E324 PolarHBondContact O-N 3.44Å; A322-E324 VanDerWaalsContact C-N 3.35Å; A322-E324 PolarHBondContact O-N 3.33Å; E324-H326 VanDerWaalsContact C-N 3.33Å; E324-H326 PolarHBondContact O-N 2.86Å; E324-T328 WeakPolarHBondContact O-CB 3.4Å; E324-T328 PolarHBondContact O-N 3.15Å; E324-T328 VanDerWaalsContact O-N 3.14Å; E324-T328 PolarHBondContact O-OG1 3.27Å
325C69.8Low71.4Confident0 Ų053.7 Ų53.70%030%0.295CS..Hα-helixtrans-65.4-36.1174.4-1680000112.8H278 H319 M321 A322 W323 M329H278-C325 VanDerWaalsContact CE1-SG 3.57Å; H278-C325 PolarHBondContact NE2-SG 3.21Å; H319-C325 HydrophobicContact CB-CB 4.03Å; H319-C325 WeakPolarHBondContact ND1-CA 3.47Å; H319-C325 WeakPolarHBondContact ND1-CB 3.35Å; M321-C325 PolarHBondContact O-N 3.27Å; A322-C325 WeakPolarHBondContact O-CB 3.21Å; A322-C325 PolarHBondContact O-N 3.33Å; W323-C325 VanDerWaalsContact C-N 3.28Å; W323-C325 PolarHBondContact O-N 3.26Å; C325-M329 WeakPolarHBondContact O-CA 3.3Å; C325-M329 WeakPolarHBondContact O-CB 3.48Å; C325-M329 PolarHBondContact O-N 3.41Å
326H64.5Low72.7Confident34 Ų3454.9 Ų54.916%0.15730%0.298CS..Hα-helixtrans-62.8-50.6176.6-174.855.5000112.3Y279 A322 W323 E324 M329 K330Y279-H326 HydrophobicContact CD1-CB 4.31Å; Y279-H326 AromaticContact CD1-ND1 3.87Å; Y279-H326 HydrophobicContact CE1-CB 3.64Å; Y279-H326 AromaticContact CE1-CE1 3.9Å; Y279-H326 AromaticContact CE1-CG 3.54Å; Y279-H326 AromaticContact CE1-ND1 2.96Å; Y279-H326 WeakPolarHBondContact CE1-ND1 3.44Å; Y279-H326 HydrophobicContact CE2-CB 3.88Å; Y279-H326 AromaticContact CZ-CG 3.51Å; Y279-H326 AromaticContact CZ-ND1 3.44Å; Y279-H326 VanDerWaalsContact OH-CB 3.31Å; Y279-H326 WeakPolarHBondContact OH-CB 3.41Å; Y279-H326 PolarHBondContact OH-ND1 3.34Å; A322-H326 PolarHBondContact O-N 3.07Å; W323-H326 VanDerWaalsContact O-CB 3.32Å; W323-H326 WeakPolarHBondContact O-CB 3.42Å; W323-H326 PolarHBondContact O-N 3.33Å; E324-H326 VanDerWaalsContact C-N 3.33Å; E324-H326 PolarHBondContact O-N 2.86Å; H326-M329 PolarHBondContact O-N 3.26Å; H326-K330 VanDerWaalsContact CE1-CE 3.48Å; H326-K330 WeakPolarHBondContact CE1-CE 3.46Å; H326-K330 VanDerWaalsContact NE2-CE 3.31Å; H326-K330 WeakPolarHBondContact NE2-CE 3.42Å; H326-K330 WeakPolarHBondContact O-CB 3.48Å; H326-K330 WeakPolarHBondContact O-CG 3.36Å; H326-K330 PolarHBondContact O-N 2.81Å
327E68.1Low73.7Confident80 Ų8051.9 Ų51.937%0.37428%0.278SS..Hα-helixtrans-63.7-45.2-178.4-69.6-56.9130.800110.9W323 M329 K330 Q331W323-E327 HydrophobicContact CE3-CG 4.49Å; W323-E327 PolarHBondContact O-N 3.32Å; E327-M329 PolarHBondContact O-N 2.93Å; E327-K330 PolarHBondContact O-N 2.93Å; E327-Q331 WeakPolarHBondContact O-CG 3.35Å; E327-Q331 PolarHBondContact O-N 3.22Å; E327-Q331 VanDerWaalsContact O-N 3.1Å
328T77Confident74.4Confident52 Ų5255.1 Ų55.132%0.31929%0.292SS..Hα-helixtrans-65.7-38175.5-55.50000112H319 E324 A332H319-T328 WeakPolarHBondContact NE2-CB 3.4Å; H319-T328 PolarHBondContact NE2-OG1 3.3Å; E324-T328 WeakPolarHBondContact O-CB 3.4Å; E324-T328 PolarHBondContact O-N 3.15Å; E324-T328 VanDerWaalsContact O-N 3.14Å; E324-T328 PolarHBondContact O-OG1 3.27Å; T328-A332 WeakPolarHBondContact O-CB 3.28Å; T328-A332 PolarHBondContact O-N 3.42Å
329M75.6Confident75Confident13 Ų1356 Ų566%0.06428%0.276CS..Hα-helixtrans-64.1-50.4176174.6-87-65.900110.5L270 Y276 Y279 C325 H326 E327 Q331 A332 V333L270-M329 HydrophobicContact CD2-CG 3.81Å; L270-M329 HydrophobicContact CD2-SD 4.03Å; Y276-M329 HydrophobicContact CD1-CB 4.11Å; Y276-M329 HydrophobicContact CD2-CB 3.87Å; Y276-M329 HydrophobicContact CD2-CG 3.73Å; Y276-M329 HydrophobicContact CE2-CB 4.29Å; Y276-M329 HydrophobicContact CE2-CG 4.5Å; Y276-M329 HydrophobicContact CG-CB 3.77Å; Y276-M329 HydrophobicContact CG-CG 3.8Å; Y279-M329 HydrophobicContact CD1-CE 3.85Å; Y279-M329 HydrophobicContact CE1-CE 4.14Å; C325-M329 WeakPolarHBondContact O-CA 3.3Å; C325-M329 WeakPolarHBondContact O-CB 3.48Å; C325-M329 PolarHBondContact O-N 3.41Å; H326-M329 PolarHBondContact O-N 3.26Å; E327-M329 PolarHBondContact O-N 2.93Å; M329-Q331 VanDerWaalsContact C-N 3.33Å; M329-Q331 PolarHBondContact O-N 2.73Å; M329-A332 PolarHBondContact O-N 3.37Å; M329-V333 HydrophobicContact CG-CG1 4.2Å; M329-V333 HydrophobicContact CG-CG2 4.48Å; M329-V333 WeakPolarHBondContact O-CG1 3.25Å; M329-V333 VanDerWaalsContact O-CG2 3.3Å; M329-V333 WeakPolarHBondContact O-CG2 3.41Å; M329-V333 PolarHBondContact O-N 3.3Å; M329-V333 HydrophobicContact SD-CG1 4.48Å; M329-V333 HydrophobicContact SD-CG2 3.73Å
330K69.5Low75.5Confident69 Ų6956.4 Ų56.430%0.328%0.279SS..Hα-helixtrans-50.6-55.5177.1-84-174.2154.7-1640110.5H326 E327 A332 V333 V334H326-K330 VanDerWaalsContact CE1-CE 3.48Å; H326-K330 WeakPolarHBondContact CE1-CE 3.46Å; H326-K330 VanDerWaalsContact NE2-CE 3.31Å; H326-K330 WeakPolarHBondContact NE2-CE 3.42Å; H326-K330 WeakPolarHBondContact O-CB 3.48Å; H326-K330 WeakPolarHBondContact O-CG 3.36Å; H326-K330 PolarHBondContact O-N 2.81Å; E327-K330 PolarHBondContact O-N 2.93Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.18Å; K330-V333 PolarHBondContact O-N 3.48Å; K330-V334 WeakPolarHBondContact O-CG2 3.14Å; K330-V334 PolarHBondContact O-N 3.47Å
331Q77.1Confident75.9Confident150 Ų15053.3 Ų53.370%0.70126%0.259SS*.Hα-helixtrans-58.7-41.9178.1-69.2179.10.700112.9E327 M329 V333E327-Q331 WeakPolarHBondContact O-CG 3.35Å; E327-Q331 PolarHBondContact O-N 3.22Å; E327-Q331 VanDerWaalsContact O-N 3.1Å; M329-Q331 VanDerWaalsContact C-N 3.33Å; M329-Q331 PolarHBondContact O-N 2.73Å; Q331-V333 VanDerWaalsContact C-N 3.33Å; Q331-V333 PolarHBondContact O-N 3.44Å
332A78.8Confident76.4Confident39 Ų3956.5 Ų56.532%0.32227%0.274SS..Hα-helixtrans-71.9-24.3-177.400000114Y273 Y276 T328 M329 K330Y273-A332 PolarHBondContact OH-O 3.37Å; Y276-A332 HydrophobicContact CE2-CB 3.67Å; T328-A332 WeakPolarHBondContact O-CB 3.28Å; T328-A332 PolarHBondContact O-N 3.42Å; M329-A332 PolarHBondContact O-N 3.37Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.18Å
333V79.1Confident77.5Confident13 Ų1364.6 Ų64.68%0.07931%0.309CS..Hα-helixtrans-110.2-6.8-174.1-51.70000114.4V269 Y273 Y276 M329 K330 Q331 E335 D336 F337V269-V333 HydrophobicContact CG1-CB 3.58Å; V269-V333 HydrophobicContact CG1-CG1 4.08Å; V269-V333 HydrophobicContact CG1-CG2 4.17Å; Y273-V333 HydrophobicContact CD1-CG1 4.08Å; Y273-V333 HydrophobicContact CD2-CB 4.46Å; Y273-V333 HydrophobicContact CD2-CG1 3.53Å; Y273-V333 HydrophobicContact CE1-CG1 4.23Å; Y273-V333 HydrophobicContact CE2-CB 4.31Å; Y273-V333 HydrophobicContact CE2-CG1 3.75Å; Y273-V333 HydrophobicContact CG-CG1 3.74Å; Y276-V333 HydrophobicContact CD2-CG1 4.38Å; M329-V333 HydrophobicContact CG-CG1 4.2Å; M329-V333 HydrophobicContact CG-CG2 4.48Å; M329-V333 WeakPolarHBondContact O-CG1 3.25Å; M329-V333 VanDerWaalsContact O-CG2 3.3Å; M329-V333 WeakPolarHBondContact O-CG2 3.41Å; M329-V333 PolarHBondContact O-N 3.3Å; M329-V333 HydrophobicContact SD-CG1 4.48Å; M329-V333 HydrophobicContact SD-CG2 3.73Å; K330-V333 PolarHBondContact O-N 3.48Å; Q331-V333 VanDerWaalsContact C-N 3.33Å; Q331-V333 PolarHBondContact O-N 3.44Å; V333-E335 VanDerWaalsContact C-N 3.32Å; V333-E335 PolarHBondContact O-N 3.37Å; V333-D336 PolarHBondContact O-N 3.04Å; V333-D336 VanDerWaalsContact O-N 3.13Å; V333-F337 WeakPolarHBondContact O-CB 3.27Å; V333-F337 PolarHBondContact O-N 3.36Å
334V80.8Confident78.4Confident53 Ų5360.9 Ų60.932%0.32130%0.298SS..Hα-helixtrans-49.3-51.7-179.4169.70000111.3K330 D336 F337 E338K330-V334 WeakPolarHBondContact O-CG2 3.14Å; K330-V334 PolarHBondContact O-N 3.47Å; V334-D336 VanDerWaalsContact C-N 3.34Å; V334-D336 PolarHBondContact O-N 2.97Å; V334-F337 WeakPolarHBondContact O-CB 3.45Å; V334-F337 PolarHBondContact O-N 3.16Å; V334-E338 HydrophobicContact CG1-CG 4.23Å; V334-E338 WeakPolarHBondContact O-CB 3.5Å; V334-E338 VanDerWaalsContact O-CG 3.32Å; V334-E338 WeakPolarHBondContact O-CG 3.44Å; V334-E338 PolarHBondContact O-N 2.96Å
335E83.1Confident78.9Confident128 Ų12864.6 Ų64.660%0.59833%0.327SS*.Hα-helixtrans-62.4-39.8-177.1-68.4-171.2-167.700113.1V333 K339V333-E335 VanDerWaalsContact C-N 3.32Å; V333-E335 PolarHBondContact O-N 3.37Å; E335-K339 VanDerWaalsContact O-CB 3.31Å; E335-K339 WeakPolarHBondContact O-CB 3.39Å; E335-K339 WeakPolarHBondContact O-CD 3.16Å; E335-K339 WeakPolarHBondContact O-CG 3.05Å; E335-K339 PolarHBondContact O-N 3.37Å; E335-K339 IonicContact OE2-NZ 3.2Å; E335-K339 PolarHBondContact OE2-NZ 3.39Å
336D84.1Confident79Confident45 Ų4566 Ų6624%0.24133%0.334CS..Hα-helixtrans-74-35.5-179.5-78-5.1000111.5V269 Y273 V333 V334 K339 L340V269-D336 HydrophobicContact CG1-CB 3.98Å; Y273-D336 HydrophobicContact CE2-CB 4.32Å; Y273-D336 VanDerWaalsContact CE2-OD2 3.23Å; Y273-D336 WeakPolarHBondContact CE2-OD2 3.41Å; Y273-D336 VanDerWaalsContact CZ-OD2 3.3Å; Y273-D336 PolarHBondContact OH-OD2 3.18Å; V333-D336 PolarHBondContact O-N 3.04Å; V333-D336 VanDerWaalsContact O-N 3.13Å; V334-D336 VanDerWaalsContact C-N 3.34Å; V334-D336 PolarHBondContact O-N 2.97Å; D336-K339 IonicContact OD1-NZ 3.18Å; D336-L340 VanDerWaalsContact O-CB 3.3Å; D336-L340 WeakPolarHBondContact O-CB 3.24Å; D336-L340 PolarHBondContact O-N 2.97Å
337F83.3Confident79.4Confident6 Ų668.5 Ų68.53%0.02635%0.353CS..Hα-helixtrans-60.4-51.1170.2-176.7-83.7000110.7H262 V265 I266 V269 V333 V334 K339 L340 V341 L355 S358H262-F337 AromaticContact CD2-CZ 3.62Å; H262-F337 AromaticContact NE2-CZ 3.77Å; V265-F337 HydrophobicContact CB-CD2 4.37Å; V265-F337 HydrophobicContact CB-CE2 3.89Å; V265-F337 HydrophobicContact CB-CZ 4.49Å; V265-F337 HydrophobicContact CG1-CD2 3.35Å; V265-F337 HydrophobicContact CG1-CE1 4.47Å; V265-F337 HydrophobicContact CG1-CE2 3.23Å; V265-F337 HydrophobicContact CG1-CG 4.04Å; V265-F337 HydrophobicContact CG1-CZ 3.84Å; I266-F337 HydrophobicContact CG1-CD2 4.1Å; I266-F337 HydrophobicContact CG1-CE2 3.78Å; V269-F337 HydrophobicContact CG2-CB 4.2Å; V269-F337 HydrophobicContact CG2-CD2 4.47Å; V333-F337 WeakPolarHBondContact O-CB 3.27Å; V333-F337 PolarHBondContact O-N 3.36Å; V334-F337 WeakPolarHBondContact O-CB 3.45Å; V334-F337 PolarHBondContact O-N 3.16Å; F337-K339 PolarHBondContact O-N 3.18Å; F337-L340 PolarHBondContact O-N 3.1Å; F337-V341 HydrophobicContact CD1-CG2 3.97Å; F337-V341 HydrophobicContact CE1-CG2 3.59Å; F337-V341 HydrophobicContact CZ-CG2 3.89Å; F337-V341 WeakPolarHBondContact O-CB 3.31Å; F337-V341 WeakPolarHBondContact O-CG2 3.47Å; F337-V341 PolarHBondContact O-N 3.26Å; F337-L355 HydrophobicContact CD1-CD2 4.47Å; F337-L355 HydrophobicContact CE1-CD2 4.37Å; F337-S358 VanDerWaalsContact CE1-CB 3.45Å
338E83.4Confident79.5Confident82 Ų8268.9 Ų68.938%0.38336%0.355SS..Hα-helixtrans-58.9-47.4177-72.2-173167.400111.7V334 L340 V341 Q342 L355V334-E338 HydrophobicContact CG1-CG 4.23Å; V334-E338 WeakPolarHBondContact O-CB 3.5Å; V334-E338 VanDerWaalsContact O-CG 3.32Å; V334-E338 WeakPolarHBondContact O-CG 3.44Å; V334-E338 PolarHBondContact O-N 2.96Å; E338-L340 VanDerWaalsContact C-N 3.31Å; E338-L340 PolarHBondContact O-N 3.43Å; E338-V341 PolarHBondContact O-N 3.16Å; E338-Q342 WeakPolarHBondContact O-CB 3.37Å; E338-Q342 WeakPolarHBondContact O-CG 3.27Å; E338-Q342 PolarHBondContact O-N 2.9Å; E338-L355 HydrophobicContact CB-CD2 4.34Å; E338-L355 HydrophobicContact CG-CD2 3.89Å
339K85.1Confident78.9Confident91 Ų9172.4 Ų72.440%0.39637%0.366SS..Hα-helixtrans-59.9-39.3176.8-74.6164.9-163.2157.60111.9E335 D336 F337 K343E335-K339 VanDerWaalsContact O-CB 3.31Å; E335-K339 WeakPolarHBondContact O-CB 3.39Å; E335-K339 WeakPolarHBondContact O-CD 3.16Å; E335-K339 WeakPolarHBondContact O-CG 3.05Å; E335-K339 PolarHBondContact O-N 3.37Å; E335-K339 IonicContact OE2-NZ 3.2Å; E335-K339 PolarHBondContact OE2-NZ 3.39Å; D336-K339 IonicContact OD1-NZ 3.18Å; F337-K339 PolarHBondContact O-N 3.18Å; K339-K343 VanDerWaalsContact O-CG 3.31Å; K339-K343 WeakPolarHBondContact O-CG 3.41Å; K339-K343 PolarHBondContact O-N 3.48Å
340L85.2Confident78.3Confident43 Ų4373.3 Ų73.323%0.22537%0.371CS..Hα-helixtrans-69.7-48.2178.2-177.360.2000111.1V265 V269 D336 F337 E338 Q342 K343 L344V265-L340 HydrophobicContact CB-CD2 4.27Å; V265-L340 HydrophobicContact CG1-CB 4.4Å; V265-L340 HydrophobicContact CG1-CD2 3.8Å; V265-L340 HydrophobicContact CG1-CG 4.22Å; V265-L340 HydrophobicContact CG2-CD2 4.45Å; V269-L340 HydrophobicContact CG2-CB 4.4Å; V269-L340 HydrophobicContact CG2-CD2 3.88Å; D336-L340 VanDerWaalsContact O-CB 3.3Å; D336-L340 WeakPolarHBondContact O-CB 3.24Å; D336-L340 PolarHBondContact O-N 2.97Å; F337-L340 PolarHBondContact O-N 3.1Å; E338-L340 VanDerWaalsContact C-N 3.31Å; E338-L340 PolarHBondContact O-N 3.43Å; L340-Q342 VanDerWaalsContact C-N 3.28Å; L340-Q342 PolarHBondContact O-N 3.35Å; L340-K343 PolarHBondContact O-N 2.96Å; L340-L344 PolarHBondContact O-N 3.14Å
341V80.6Confident78.4Confident0 Ų072.9 Ų72.90%037%0.367CS..Hα-helixtrans-61.1-36.7178.8171.40000111.8V265 F337 E338 K343 L344 R351 L354 L355V265-V341 HydrophobicContact CB-CG2 4.47Å; V265-V341 HydrophobicContact CG1-CG2 3.6Å; V265-V341 HydrophobicContact CG2-CG2 4.18Å; F337-V341 HydrophobicContact CD1-CG2 3.97Å; F337-V341 HydrophobicContact CE1-CG2 3.59Å; F337-V341 HydrophobicContact CZ-CG2 3.89Å; F337-V341 WeakPolarHBondContact O-CB 3.31Å; F337-V341 WeakPolarHBondContact O-CG2 3.47Å; F337-V341 PolarHBondContact O-N 3.26Å; E338-V341 PolarHBondContact O-N 3.16Å; V341-K343 VanDerWaalsContact C-N 3.3Å; V341-K343 PolarHBondContact O-N 2.98Å; V341-L344 PolarHBondContact O-N 3.48Å; V341-R351 HydrophobicContact CG1-CG 3.66Å; V341-L354 HydrophobicContact CG1-CB 3.98Å; V341-L354 HydrophobicContact CG1-CD1 4.28Å; V341-L354 HydrophobicContact CG2-CB 4.28Å; V341-L355 HydrophobicContact CB-CD2 4.05Å; V341-L355 HydrophobicContact CG1-CD2 3.86Å; V341-L355 HydrophobicContact CG1-CG 3.86Å
342Q84.9Confident77.9Confident117 Ų11773.7 Ų73.755%0.54736%0.364SS..Hα-helixtrans-64.1-32.7174.7-75.1174.516.900113.1E338 L340E338-Q342 WeakPolarHBondContact O-CB 3.37Å; E338-Q342 WeakPolarHBondContact O-CG 3.27Å; E338-Q342 PolarHBondContact O-N 2.9Å; L340-Q342 VanDerWaalsContact C-N 3.28Å; L340-Q342 PolarHBondContact O-N 3.35Å
343K85.4Confident77.1Confident169 Ų16973.3 Ų73.374%0.73536%0.359SS*.Hα-helixtrans-82.7-14.6179.7-70.2172.4-1761780114K339 L340 V341K339-K343 VanDerWaalsContact O-CG 3.31Å; K339-K343 WeakPolarHBondContact O-CG 3.41Å; K339-K343 PolarHBondContact O-N 3.48Å; L340-K343 PolarHBondContact O-N 2.96Å; V341-K343 VanDerWaalsContact C-N 3.3Å; V341-K343 PolarHBondContact O-N 2.98Å
344L80.2Confident76.4Confident39 Ų3972.7 Ų72.720%0.20436%0.355CS..SBendtrans-64.8134179.6-70.1178.5000110.8V265 L340 V341 I346 L354V265-L344 HydrophobicContact CG2-CD1 3.69Å; L340-L344 PolarHBondContact O-N 3.14Å; V341-L344 PolarHBondContact O-N 3.48Å; L344-I346 HydrophobicContact CB-CD1 3.91Å; L344-I346 HydrophobicContact CB-CG1 3.79Å; L344-I346 HydrophobicContact CB-CG2 4.16Å; L344-I346 HydrophobicContact CD1-CD1 3.93Å; L344-I346 PolarHBondContact O-N 3.29Å; L344-L354 HydrophobicContact CD1-CD1 4.13Å
345P81.4Confident75.6Confident134 Ų13472.9 Ų72.987%0.8735%0.354SS*.  trans-77.457.5176.234.1-36.2000110.9
346I72.6Confident74.3Confident30 Ų3075.2 Ų75.215%0.15436%0.362CS..  trans-117.5152-177.161176.7000111.4L344 L350 R351 L354L344-I346 HydrophobicContact CB-CD1 3.91Å; L344-I346 HydrophobicContact CB-CG1 3.79Å; L344-I346 HydrophobicContact CB-CG2 4.16Å; L344-I346 HydrophobicContact CD1-CD1 3.93Å; L344-I346 PolarHBondContact O-N 3.29Å; I346-L350 HydrophobicContact CB-CB 4.44Å; I346-L350 HydrophobicContact CD1-CB 4.2Å; I346-R351 HydrophobicContact CD1-CB 4.31Å; I346-R351 HydrophobicContact CG1-CB 4.44Å; I346-L354 HydrophobicContact CD1-CD1 3.46Å; I346-L354 VanDerWaalsContact CD1-CD1 3.46Å
347P71.6Confident72.6Confident86 Ų8678.6 Ų78.656%0.55838%0.376SS*.  trans-52.8142.4171.9-27.132.3000113.5K349 L350 R351P347-K349 PolarHBondContact O-N 3.39Å; P347-K349 VanDerWaalsContact O-N 3.1Å; P347-L350 HydrophobicContact CG-CD1 4.22Å; P347-L350 WeakPolarHBondContact O-CB 3.39Å; P347-L350 PolarHBondContact O-N 3.32Å; P347-R351 PolarHBondContact O-N 3.44Å; P347-R351 VanDerWaalsContact O-N 3.08Å
348E71.7Confident70.8Confident88 Ų8881 Ų8141%0.41139%0.394SS..Hα-helixtrans-52.8-35.6-179.9176.659.6-164.100113.4L350 R351 R352E348-L350 VanDerWaalsContact C-N 3.34Å; E348-L350 PolarHBondContact O-N 2.97Å; E348-R351 WeakPolarHBondContact O-CB 3.33Å; E348-R351 PolarHBondContact O-N 2.76Å; E348-R351 IonicContact OE2-CZ 2.64Å; E348-R351 IonicContact OE2-NH1 2.74Å; E348-R351 PolarHBondContact OE2-NH1 3.13Å; E348-R352 WeakPolarHBondContact O-CG 3.43Å; E348-R352 PolarHBondContact O-N 3.06Å; E348-R352 IonicContact OE1-CZ 3.05Å; E348-R352 IonicContact OE1-NE 2.86Å; E348-R352 PolarHBondContact OE1-NE 3.01Å; E348-R352 IonicContact OE1-NH2 3.59Å; E348-R352 PolarHBondContact OE1-NH2 3.11Å
349K63.7Low70.1Confident126 Ų12681 Ų8155%0.54840%0.395SS..Hα-helixtrans-62.7-38.3176.3-171.2-179.3177.6-176.50112.7M250 P347 S353M250-K349 PolarHBondContact SD-NZ 2.87Å; M250-K349 VanDerWaalsContact SD-NZ 3.44Å; P347-K349 PolarHBondContact O-N 3.39Å; P347-K349 VanDerWaalsContact O-N 3.1Å; K349-S353 PolarHBondContact O-N 3.21Å; K349-S353 PolarHBondContact O-OG 3.22Å
350L63.3Low69.3Low31 Ų3180.5 Ų80.516%0.16240%0.395CS..Hα-helixtrans-72.4-40.1175-81166.8000111Y254 L258 I346 P347 E348 R352 S353 L354Y254-L350 HydrophobicContact CD2-CD2 4.03Å; Y254-L350 HydrophobicContact CE2-CD2 3.24Å; Y254-L350 HydrophobicContact CE2-CG 3.8Å; L258-L350 HydrophobicContact CD1-CD2 4.2Å; L258-L350 HydrophobicContact CD2-CD2 4.1Å; L258-L350 HydrophobicContact CG-CD2 3.77Å; I346-L350 HydrophobicContact CB-CB 4.44Å; I346-L350 HydrophobicContact CD1-CB 4.2Å; P347-L350 HydrophobicContact CG-CD1 4.22Å; P347-L350 WeakPolarHBondContact O-CB 3.39Å; P347-L350 PolarHBondContact O-N 3.32Å; E348-L350 VanDerWaalsContact C-N 3.34Å; E348-L350 PolarHBondContact O-N 2.97Å; L350-R352 PolarHBondContact O-N 2.96Å; L350-S353 PolarHBondContact O-N 3.22Å; L350-L354 WeakPolarHBondContact O-CG 3.29Å; L350-L354 PolarHBondContact O-N 2.99Å
351R71.1Confident68.5Low61 Ų6182.6 Ų82.623%0.2340%0.404CS..Hα-helixtrans-56.5-51.5175.5-168.8-176.8-68.9133.1-1.8111.8V341 I346 P347 E348 S353 L354 L355V341-R351 HydrophobicContact CG1-CG 3.66Å; I346-R351 HydrophobicContact CD1-CB 4.31Å; I346-R351 HydrophobicContact CG1-CB 4.44Å; P347-R351 PolarHBondContact O-N 3.44Å; P347-R351 VanDerWaalsContact O-N 3.08Å; E348-R351 WeakPolarHBondContact O-CB 3.33Å; E348-R351 PolarHBondContact O-N 2.76Å; E348-R351 IonicContact OE2-CZ 2.64Å; E348-R351 IonicContact OE2-NH1 2.74Å; E348-R351 PolarHBondContact OE2-NH1 3.13Å; R351-S353 VanDerWaalsContact C-N 3.27Å; R351-S353 PolarHBondContact O-N 3.46Å; R351-L354 PolarHBondContact O-N 2.81Å; R351-L355 HydrophobicContact CG-CD1 4.34Å; R351-L355 WeakPolarHBondContact O-CG 3.1Å; R351-L355 PolarHBondContact O-N 3.34Å
352R67.4Low67.8Low167 Ų16787.4 Ų87.463%0.6343%0.428SS*.Hα-helixtrans-59.4-38.2176.3-69.8-178.6-172.3-171.5-1.8112.7E348 L350 L355 F356E348-R352 WeakPolarHBondContact O-CG 3.43Å; E348-R352 PolarHBondContact O-N 3.06Å; E348-R352 IonicContact OE1-CZ 3.05Å; E348-R352 IonicContact OE1-NE 2.86Å; E348-R352 PolarHBondContact OE1-NE 3.01Å; E348-R352 IonicContact OE1-NH2 3.59Å; E348-R352 PolarHBondContact OE1-NH2 3.11Å; L350-R352 PolarHBondContact O-N 2.96Å; R352-L355 PolarHBondContact O-N 3.13Å; R352-F356 WeakPolarHBondContact O-CB 3.13Å; R352-F356 PolarHBondContact O-N 3.21Å
353S61.6Low66.7Low30 Ų3085.6 Ų85.621%0.2142%0.421CS..Hα-helixtrans-69-37.4178.9-57.90000111.9Y254 L258 K349 L350 R351 F356 H357Y254-S353 PolarHBondContact OH-OG 3.22Å; L258-S353 VanDerWaalsContact CD2-CB 3.42Å; K349-S353 PolarHBondContact O-N 3.21Å; K349-S353 PolarHBondContact O-OG 3.22Å; L350-S353 PolarHBondContact O-N 3.22Å; R351-S353 VanDerWaalsContact C-N 3.27Å; R351-S353 PolarHBondContact O-N 3.46Å; S353-F356 PolarHBondContact O-N 3.32Å; S353-H357 PolarHBondContact O-CD2 2.65Å; S353-H357 PolarHBondContact O-N 2.93Å
354L63.7Low65.4Low1 Ų180 Ų801%0.00540%0.4CS..Hα-helixtrans-66-42173.9-72.4171.5000112.3L258 L261 H262 V341 L344 I346 L350 R351 F356 H357L258-L354 HydrophobicContact CD2-CD2 3.89Å; L258-L354 HydrophobicContact CD2-CG 3.92Å; L261-L354 HydrophobicContact CB-CD1 4.25Å; L261-L354 HydrophobicContact CB-CD2 3.86Å; H262-L354 HydrophobicContact CB-CD2 3.72Å; V341-L354 HydrophobicContact CG1-CB 3.98Å; V341-L354 HydrophobicContact CG1-CD1 4.28Å; V341-L354 HydrophobicContact CG2-CB 4.28Å; L344-L354 HydrophobicContact CD1-CD1 4.13Å; I346-L354 HydrophobicContact CD1-CD1 3.46Å; I346-L354 VanDerWaalsContact CD1-CD1 3.46Å; L350-L354 WeakPolarHBondContact O-CG 3.29Å; L350-L354 PolarHBondContact O-N 2.99Å; R351-L354 PolarHBondContact O-N 2.81Å; L354-F356 VanDerWaalsContact C-N 3.29Å; L354-F356 PolarHBondContact O-N 2.8Å; L354-H357 PolarHBondContact O-N 3.09Å
355L65Low64.4Low57 Ų5782.9 Ų82.930%0.29841%0.414SS..Hα-helixtrans-69.7-24.4177.1-65.8175.1000113.4F337 E338 V341 R351 R352 H357 S358F337-L355 HydrophobicContact CD1-CD2 4.47Å; F337-L355 HydrophobicContact CE1-CD2 4.37Å; E338-L355 HydrophobicContact CB-CD2 4.34Å; E338-L355 HydrophobicContact CG-CD2 3.89Å; V341-L355 HydrophobicContact CB-CD2 4.05Å; V341-L355 HydrophobicContact CG1-CD2 3.86Å; V341-L355 HydrophobicContact CG1-CG 3.86Å; R351-L355 HydrophobicContact CG-CD1 4.34Å; R351-L355 WeakPolarHBondContact O-CG 3.1Å; R351-L355 PolarHBondContact O-N 3.34Å; R352-L355 PolarHBondContact O-N 3.13Å; L355-H357 VanDerWaalsContact C-N 3.33Å; L355-S358 PolarHBondContact O-OG 3.21Å
356F55.7Low63.1Low176 Ų17679 Ų7977%0.77238%0.379SS*.Hα-helixtrans-78.9-18.7176.4-166-95.1000112.7R352 S353 L354R352-F356 WeakPolarHBondContact O-CB 3.13Å; R352-F356 PolarHBondContact O-N 3.21Å; S353-F356 PolarHBondContact O-N 3.32Å; L354-F356 VanDerWaalsContact C-N 3.29Å; L354-F356 PolarHBondContact O-N 2.8Å
357H47.3Very low62.3Low116 Ų11683.1 Ų83.154%0.53740%0.397SS..  trans-100.2-3.1-177.4-74.9-54.6000114.7H262 S353 L354 L355H262-H357 VanDerWaalsContact NE2-C 3.35Å; H262-H357 PolarHBondContact NE2-O 2.63Å; H262-H357 VanDerWaalsContact NE2-O 3.14Å; S353-H357 PolarHBondContact O-CD2 2.65Å; S353-H357 PolarHBondContact O-N 2.93Å; L354-H357 PolarHBondContact O-N 3.09Å; L355-H357 VanDerWaalsContact C-N 3.33Å
358S45.2Very low61.4Low58 Ų5882.8 Ų82.841%0.40638%0.383SS..  trans-74.40178.445.40000115.7F337 L355F337-S358 VanDerWaalsContact CE1-CB 3.45Å; L355-S358 PolarHBondContact O-OG 3.21Å

Retrieved 358 of 358 residues in 286.2 ms (Link to these results)

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