A0A077ZDT9_TRITR Loading...

Serpin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,132 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
1M56.6Low81.5Confident149 Ų14941.5 Ų41.573%0.73420%0.202SC*.  0161.60-81.4176.9177.200107.6E5M1-E5 VanDerWaalsContact CA-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.44Å; M1-E5 HydrophobicContact CB-CB 4.04Å; M1-E5 WeakPolarHBondContact CB-OE2 3.32Å; M1-E5 HydrophobicContact CG-CB 4.34Å; M1-E5 HydrophobicContact SD-CB 4.45Å
2E71.5Confident82.4Confident111 Ų11138.7 Ų38.752%0.51919%0.188SC..  trans-66.7152.9160.7-79.1-153.415500110.3S4 E5 N6E2-S4 VanDerWaalsContact CB-OG 3.27Å; E2-S4 WeakPolarHBondContact CB-OG 3.47Å; E2-S4 PolarHBondContact O-N 2.71Å; E2-S4 PolarHBondContact OE2-OG 2.79Å; E2-E5 HydrophobicContact CB-CG 4.37Å; E2-E5 PolarHBondContact N-OE2 2.93Å; E2-E5 PolarHBondContact O-N 2.91Å; E2-E5 VanDerWaalsContact O-N 3.08Å; E2-N6 PolarHBondContact O-N 3.42Å; E2-N6 VanDerWaalsContact O-N 3.13Å
3P73.9Confident83.1Confident47 Ų4737.6 Ų37.631%0.30519%0.187SC..Hα-helixtrans-47.2-41.1166.8-33.239.4000113.3N6 L7 N66 L69P3-N6 PolarHBondContact O-N 3.17Å; P3-L7 WeakPolarHBondContact O-CB 3.41Å; P3-L7 WeakPolarHBondContact O-CG 3.43Å; P3-L7 PolarHBondContact O-N 2.72Å; P3-N66 VanDerWaalsContact CB-OD1 3.25Å; P3-N66 WeakPolarHBondContact CB-OD1 3.28Å; P3-N66 WeakPolarHBondContact CG-OD1 3.34Å; P3-L69 HydrophobicContact CB-CD2 3.45Å; P3-L69 VanDerWaalsContact CB-CD2 3.45Å; P3-L69 HydrophobicContact CG-CD2 4.25Å
4S79.2Confident83.6Confident3 Ų334.9 Ų34.92%0.02117%0.173CC..Hα-helixtrans-60.7-42.317861.20000112.8E2 A8E2-S4 VanDerWaalsContact CB-OG 3.27Å; E2-S4 WeakPolarHBondContact CB-OG 3.47Å; E2-S4 PolarHBondContact O-N 2.71Å; E2-S4 PolarHBondContact OE2-OG 2.79Å; S4-A8 WeakPolarHBondContact O-CB 3.41Å; S4-A8 PolarHBondContact O-N 2.65Å
5E84.6Confident83.9Confident43 Ų4332.8 Ų32.820%0.20116%0.163CC..Hα-helixtrans-68.7-42.6176.2-69.1-176.8123.700112.3M1 E2 L7 A8 R9 K245M1-E5 VanDerWaalsContact CA-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.44Å; M1-E5 HydrophobicContact CB-CB 4.04Å; M1-E5 WeakPolarHBondContact CB-OE2 3.32Å; M1-E5 HydrophobicContact CG-CB 4.34Å; M1-E5 HydrophobicContact SD-CB 4.45Å; E2-E5 HydrophobicContact CB-CG 4.37Å; E2-E5 PolarHBondContact N-OE2 2.93Å; E2-E5 PolarHBondContact O-N 2.91Å; E2-E5 VanDerWaalsContact O-N 3.08Å; E5-L7 VanDerWaalsContact C-N 3.34Å; E5-A8 PolarHBondContact O-N 3.2Å; E5-R9 PolarHBondContact O-N 2.93Å; E5-K245 IonicContact OE1-NZ 3.23Å; E5-K245 PolarHBondContact OE1-NZ 2.93Å
6N82.3Confident84.1Confident14 Ų1438.2 Ų38.28%0.07519%0.187CC..Hα-helixtrans-63.8-42.8178.4-115.112.3000110.5E2 P3 R9 F10 F54 N55E2-N6 PolarHBondContact O-N 3.42Å; E2-N6 VanDerWaalsContact O-N 3.13Å; P3-N6 PolarHBondContact O-N 3.17Å; N6-R9 WeakPolarHBondContact O-CB 3.13Å; N6-R9 PolarHBondContact O-N 2.97Å; N6-F10 PolarHBondContact O-N 2.92Å; N6-F10 VanDerWaalsContact O-N 3.11Å; N6-F54 PolarHBondContact ND2-O 3.45Å; N6-N55 WeakPolarHBondContact OD1-CB 3.25Å; N6-N55 PolarHBondContact OD1-ND2 3.16Å
7L85.1Confident83.9Confident12 Ų1238.1 Ų38.16%0.06319%0.194CC..Hα-helixtrans-60.9-44.6172.2-81.5166000112.5P3 E5 R9 F10 S11 I31 L70 V362P3-L7 WeakPolarHBondContact O-CB 3.41Å; P3-L7 WeakPolarHBondContact O-CG 3.43Å; P3-L7 PolarHBondContact O-N 2.72Å; E5-L7 VanDerWaalsContact C-N 3.34Å; L7-R9 VanDerWaalsContact C-N 3.33Å; L7-R9 PolarHBondContact O-N 2.82Å; L7-F10 PolarHBondContact O-N 3.28Å; L7-S11 WeakPolarHBondContact O-CB 3.49Å; L7-S11 PolarHBondContact O-N 3.22Å; L7-S11 PolarHBondContact O-OG 3.17Å; L7-I31 HydrophobicContact CD2-CD1 3.63Å; L7-I31 HydrophobicContact CD2-CG2 3.87Å; L7-L70 HydrophobicContact CD1-CD2 3.77Å; L7-L70 HydrophobicContact CD1-CG 4.08Å; L7-L70 HydrophobicContact CD2-CD1 4.18Å; L7-L70 HydrophobicContact CD2-CD2 3.74Å; L7-L70 HydrophobicContact CD2-CG 4.32Å; L7-L70 HydrophobicContact CG-CD2 4.44Å; L7-V362 HydrophobicContact CD1-CG2 4.24Å
8A89.8Confident83.4Confident1 Ų137.2 Ų37.21%0.00819%0.189CC..Hα-helixtrans-65.6-35.9176.800000111.9S4 E5 S11 W12 G244 L248 I363S4-A8 WeakPolarHBondContact O-CB 3.41Å; S4-A8 PolarHBondContact O-N 2.65Å; E5-A8 PolarHBondContact O-N 3.2Å; A8-S11 WeakPolarHBondContact O-CB 3.31Å; A8-S11 PolarHBondContact O-N 2.97Å; A8-W12 PolarHBondContact O-N 3.2Å; A8-G244 WeakPolarHBondContact CB-O 3.38Å; A8-G244 WeakPolarHBondContact O-CA 3.31Å; A8-L248 HydrophobicContact CB-CD1 3.72Å; A8-L248 HydrophobicContact CB-CG 4.09Å; A8-I363 HydrophobicContact CB-CD1 3.9Å
9R91.1Very high82.2Confident73 Ų7337.6 Ų37.628%0.27519%0.194SC..Hα-helixtrans-56.5-54.7171.9-168.4-157.279.3144.26.1110.4E5 N6 L7 S11 W12 S13 A51 V52 N55E5-R9 PolarHBondContact O-N 2.93Å; N6-R9 WeakPolarHBondContact O-CB 3.13Å; N6-R9 PolarHBondContact O-N 2.97Å; L7-R9 VanDerWaalsContact C-N 3.33Å; L7-R9 PolarHBondContact O-N 2.82Å; R9-S11 VanDerWaalsContact C-N 3.31Å; R9-S11 PolarHBondContact O-N 3.1Å; R9-W12 PolarHBondContact O-N 2.93Å; R9-W12 VanDerWaalsContact O-N 3.13Å; R9-S13 PolarHBondContact O-N 2.68Å; R9-S13 PolarHBondContact O-OG 3.45Å; R9-S13 VanDerWaalsContact O-OG 3.11Å; R9-A51 PolarHBondContact NH2-O 3.48Å; R9-V52 PolarHBondContact NH2-O 3.23Å; R9-N55 PolarHBondContact NH1-OD1 2.74Å
10F90.2Very high81.2Confident0 Ų037.3 Ų37.30%019%0.194CC..Hα-helixtrans-59.7-40.7177.7176.9-104.7000112.2N6 L7 W12 S13 L14 I30 I31 L34 V52 M53N6-F10 PolarHBondContact O-N 2.92Å; N6-F10 VanDerWaalsContact O-N 3.11Å; L7-F10 PolarHBondContact O-N 3.28Å; F10-W12 VanDerWaalsContact C-N 3.29Å; F10-W12 PolarHBondContact O-N 2.74Å; F10-S13 PolarHBondContact O-N 3.05Å; F10-L14 HydrophobicContact CD1-CD1 4Å; F10-L14 HydrophobicContact CD1-CG 4.5Å; F10-L14 HydrophobicContact CE1-CD1 3.43Å; F10-L14 VanDerWaalsContact CE1-CD1 3.43Å; F10-L14 HydrophobicContact CE1-CG 4.09Å; F10-L14 HydrophobicContact CE2-CD1 4.43Å; F10-L14 HydrophobicContact CE2-CD2 4.38Å; F10-L14 HydrophobicContact CE2-CG 4.24Å; F10-L14 HydrophobicContact CZ-CD1 3.68Å; F10-L14 HydrophobicContact CZ-CD2 4.11Å; F10-L14 HydrophobicContact CZ-CG 3.94Å; F10-L14 WeakPolarHBondContact O-CG 3.38Å; F10-L14 PolarHBondContact O-N 3.33Å; F10-I30 HydrophobicContact CE1-CG2 4.15Å; F10-I30 HydrophobicContact CZ-CG2 4.06Å; F10-I31 HydrophobicContact CB-CD1 4.37Å; F10-I31 HydrophobicContact CD1-CB 4.17Å; F10-I31 HydrophobicContact CD1-CD1 3.57Å; F10-I31 HydrophobicContact CD1-CG1 3.9Å; F10-I31 HydrophobicContact CE1-CB 3.84Å; F10-I31 HydrophobicContact CE1-CD1 3.98Å; F10-I31 HydrophobicContact CE1-CG1 3.75Å; F10-I31 HydrophobicContact CG-CD1 4Å; F10-I31 HydrophobicContact CZ-CG1 4.35Å; F10-L34 HydrophobicContact CZ-CD1 3.9Å; F10-V52 HydrophobicContact CD2-CG1 4.1Å; F10-V52 HydrophobicContact CE2-CG1 3.96Å; F10-M53 HydrophobicContact CE2-CG 4.28Å
11S91.8Very high80.2Confident3 Ų337 Ų372%0.02119%0.193CC..Hα-helixtrans-55.7-43.7174.1-53.20000112.2L7 A8 R9 Y15 F25 P27 L366L7-S11 WeakPolarHBondContact O-CB 3.49Å; L7-S11 PolarHBondContact O-N 3.22Å; L7-S11 PolarHBondContact O-OG 3.17Å; A8-S11 WeakPolarHBondContact O-CB 3.31Å; A8-S11 PolarHBondContact O-N 2.97Å; R9-S11 VanDerWaalsContact C-N 3.31Å; R9-S11 PolarHBondContact O-N 3.1Å; S11-Y15 PolarHBondContact O-N 3.05Å; S11-F25 WeakPolarHBondContact O-CZ 3.36Å; S11-P27 WeakPolarHBondContact OG-CB 3.41Å; S11-P27 VanDerWaalsContact OG-CG 3.28Å; S11-P27 WeakPolarHBondContact OG-CG 3.32Å; S11-L366 WeakPolarHBondContact O-CD2 3.13Å
12W93Very high80.9Confident8 Ų830.3 Ų30.33%0.0316%0.161CC..Hα-helixtrans-74.9-38.6179.6-168.3-99.4000112.4A8 R9 F10 L14 Y15 E16 E239 L242 L247 I352 L366A8-W12 PolarHBondContact O-N 3.2Å; R9-W12 PolarHBondContact O-N 2.93Å; R9-W12 VanDerWaalsContact O-N 3.13Å; F10-W12 VanDerWaalsContact C-N 3.29Å; F10-W12 PolarHBondContact O-N 2.74Å; W12-L14 VanDerWaalsContact C-N 3.3Å; W12-L14 PolarHBondContact O-N 3.15Å; W12-Y15 HydrophobicContact CE3-CD1 4.16Å; W12-Y15 HydrophobicContact CE3-CG 4.34Å; W12-Y15 AromaticContact CH2-CD1 3.92Å; W12-Y15 HydrophobicContact CH2-CD1 3.92Å; W12-Y15 AromaticContact CH2-CE1 3.81Å; W12-Y15 HydrophobicContact CH2-CE1 3.81Å; W12-Y15 HydrophobicContact CZ2-CD1 4.32Å; W12-Y15 HydrophobicContact CZ2-CE1 4.45Å; W12-Y15 AromaticContact CZ3-CD1 3.82Å; W12-Y15 HydrophobicContact CZ3-CD1 3.82Å; W12-Y15 AromaticContact CZ3-CE1 3.97Å; W12-Y15 HydrophobicContact CZ3-CE1 3.97Å; W12-Y15 HydrophobicContact CZ3-CG 4.25Å; W12-Y15 WeakPolarHBondContact O-CA 3.46Å; W12-Y15 WeakPolarHBondContact O-CB 3.42Å; W12-Y15 PolarHBondContact O-N 3.31Å; W12-E16 VanDerWaalsContact CD1-OE2 3.23Å; W12-E16 PolarHBondContact NE1-OE1 2.91Å; W12-E16 PolarHBondContact NE1-OE2 3.33Å; W12-E16 WeakPolarHBondContact O-CG 3.32Å; W12-E16 PolarHBondContact O-N 2.75Å; W12-E239 HydrophobicContact CH2-CG 4.43Å; W12-E239 WeakPolarHBondContact CZ2-O 3.48Å; W12-L242 HydrophobicContact CH2-CB 3.73Å; W12-L242 HydrophobicContact CH2-CD1 3.98Å; W12-L242 HydrophobicContact CZ2-CB 3.62Å; W12-L242 HydrophobicContact CZ3-CB 4.48Å; W12-L247 HydrophobicContact CE3-CD1 3.63Å; W12-L247 HydrophobicContact CE3-CG 4.45Å; W12-L247 HydrophobicContact CZ3-CD1 3.71Å; W12-L247 HydrophobicContact CZ3-CG 4.37Å; W12-I352 HydrophobicContact CH2-CD1 3.79Å; W12-I352 HydrophobicContact CZ3-CD1 4.04Å; W12-L366 HydrophobicContact CE3-CD2 4.34Å
13S91.2Very high81.3Confident25 Ų2525 Ų2518%0.17514%0.136CC..Hα-helixtrans-60.6-38173.7-58.60000112.5R9 F10 A17R9-S13 PolarHBondContact O-N 2.68Å; R9-S13 PolarHBondContact O-OG 3.45Å; R9-S13 VanDerWaalsContact O-OG 3.11Å; F10-S13 PolarHBondContact O-N 3.05Å; S13-A17 WeakPolarHBondContact O-CB 3.36Å; S13-A17 PolarHBondContact O-N 2.9Å
14L89.5Confident81.9Confident0 Ų022.8 Ų22.80%012%0.122CC..Hα-helixtrans-63.7-40.6170.4-73.8176.2000112.2F10 W12 A17 Q18 F25 I30 T277 L281F10-L14 HydrophobicContact CD1-CD1 4Å; F10-L14 HydrophobicContact CD1-CG 4.5Å; F10-L14 HydrophobicContact CE1-CD1 3.43Å; F10-L14 VanDerWaalsContact CE1-CD1 3.43Å; F10-L14 HydrophobicContact CE1-CG 4.09Å; F10-L14 HydrophobicContact CE2-CD1 4.43Å; F10-L14 HydrophobicContact CE2-CD2 4.38Å; F10-L14 HydrophobicContact CE2-CG 4.24Å; F10-L14 HydrophobicContact CZ-CD1 3.68Å; F10-L14 HydrophobicContact CZ-CD2 4.11Å; F10-L14 HydrophobicContact CZ-CG 3.94Å; F10-L14 WeakPolarHBondContact O-CG 3.38Å; F10-L14 PolarHBondContact O-N 3.33Å; W12-L14 VanDerWaalsContact C-N 3.3Å; W12-L14 PolarHBondContact O-N 3.15Å; L14-A17 PolarHBondContact O-N 3.01Å; L14-Q18 WeakPolarHBondContact O-CG 3.14Å; L14-Q18 PolarHBondContact O-NE2 3.04Å; L14-F25 HydrophobicContact CB-CD2 4.41Å; L14-F25 HydrophobicContact CB-CE2 3.53Å; L14-F25 HydrophobicContact CB-CZ 3.71Å; L14-F25 HydrophobicContact CD1-CD2 4.19Å; L14-F25 HydrophobicContact CD1-CE2 3.8Å; L14-F25 HydrophobicContact CG-CE2 4.36Å; L14-I30 HydrophobicContact CD1-CB 4.41Å; L14-I30 HydrophobicContact CD1-CD1 3.68Å; L14-I30 HydrophobicContact CD1-CG2 4.16Å; L14-T277 HydrophobicContact CD2-CG2 3.68Å; L14-L281 HydrophobicContact CD2-CD1 4.22Å
15Y89.3Confident82.4Confident3 Ų322.7 Ų22.71%0.01212%0.121CC..Hα-helixtrans-65.7-46.9-179.8-179.1-84.9000112.3S11 W12 A17 Q18 I23 F25 E239 I352 L366 R368S11-Y15 PolarHBondContact O-N 3.05Å; W12-Y15 HydrophobicContact CE3-CD1 4.16Å; W12-Y15 HydrophobicContact CE3-CG 4.34Å; W12-Y15 AromaticContact CH2-CD1 3.92Å; W12-Y15 HydrophobicContact CH2-CD1 3.92Å; W12-Y15 AromaticContact CH2-CE1 3.81Å; W12-Y15 HydrophobicContact CH2-CE1 3.81Å; W12-Y15 HydrophobicContact CZ2-CD1 4.32Å; W12-Y15 HydrophobicContact CZ2-CE1 4.45Å; W12-Y15 AromaticContact CZ3-CD1 3.82Å; W12-Y15 HydrophobicContact CZ3-CD1 3.82Å; W12-Y15 AromaticContact CZ3-CE1 3.97Å; W12-Y15 HydrophobicContact CZ3-CE1 3.97Å; W12-Y15 HydrophobicContact CZ3-CG 4.25Å; W12-Y15 WeakPolarHBondContact O-CA 3.46Å; W12-Y15 WeakPolarHBondContact O-CB 3.42Å; W12-Y15 PolarHBondContact O-N 3.31Å; Y15-A17 VanDerWaalsContact C-N 3.25Å; Y15-A17 PolarHBondContact O-N 3.04Å; Y15-Q18 PolarHBondContact O-N 2.75Å; Y15-Q18 VanDerWaalsContact O-N 3.13Å; Y15-I23 HydrophobicContact CD2-CD1 3.77Å; Y15-I23 HydrophobicContact CE2-CD1 3.98Å; Y15-I23 HydrophobicContact CE2-CG1 4.42Å; Y15-I23 HydrophobicContact CG-CD1 4.38Å; Y15-F25 HydrophobicContact CD2-CE1 4.22Å; Y15-E239 HydrophobicContact CE1-CG 4.17Å; Y15-E239 WeakPolarHBondContact CE1-OE1 3.29Å; Y15-E239 PolarHBondContact OH-OE1 2.95Å; Y15-I352 HydrophobicContact CE2-CG2 4.08Å; Y15-L366 HydrophobicContact CD2-CD2 3.99Å; Y15-L366 HydrophobicContact CD2-CG 3.88Å; Y15-L366 HydrophobicContact CG-CD2 4.21Å; Y15-R368 HydrophobicContact CE2-CB 3.92Å; Y15-R368 WeakPolarHBondContact OH-CB 3.41Å; Y15-R368 PolarHBondContact OH-NH1 3.23Å
16E85.8Confident82.6Confident119 Ų11920.6 Ų20.656%0.55611%0.111SC*.Hα-helixtrans-64.9-29.3178-70.6178136.900112.5W12 Q18W12-E16 VanDerWaalsContact CD1-OE2 3.23Å; W12-E16 PolarHBondContact NE1-OE1 2.91Å; W12-E16 PolarHBondContact NE1-OE2 3.33Å; W12-E16 WeakPolarHBondContact O-CG 3.32Å; W12-E16 PolarHBondContact O-N 2.75Å; E16-Q18 VanDerWaalsContact C-N 3.27Å; E16-Q18 PolarHBondContact O-N 3.31Å
17A81.8Confident83Confident36 Ų3620 Ų2030%0.29811%0.108SC..THydrogen-bonded Turntrans-76.8-5.417500000114.3S13 L14 Y15 T277S13-A17 WeakPolarHBondContact O-CB 3.36Å; S13-A17 PolarHBondContact O-N 2.9Å; L14-A17 PolarHBondContact O-N 3.01Å; Y15-A17 VanDerWaalsContact C-N 3.25Å; Y15-A17 PolarHBondContact O-N 3.04Å; A17-T277 HydrophobicContact CB-CG2 3.93Å
18Q74.7Confident83Confident22 Ų2219.5 Ų19.510%0.10311%0.105CC..SBendtrans-95.9143.9177.9-62.5-39.4-72.500113.4L14 Y15 E16 I23 M272 T277 R368L14-Q18 WeakPolarHBondContact O-CG 3.14Å; L14-Q18 PolarHBondContact O-NE2 3.04Å; Y15-Q18 PolarHBondContact O-N 2.75Å; Y15-Q18 VanDerWaalsContact O-N 3.13Å; E16-Q18 VanDerWaalsContact C-N 3.27Å; E16-Q18 PolarHBondContact O-N 3.31Å; Q18-I23 HydrophobicContact CB-CD1 3.64Å; Q18-I23 HydrophobicContact CB-CG2 4.16Å; Q18-I23 HydrophobicContact CG-CD1 3.87Å; Q18-M272 VanDerWaalsContact CD-CE 3.48Å; Q18-M272 HydrophobicContact CG-CE 4.2Å; Q18-T277 PolarHBondContact NE2-OG1 2.68Å; Q18-T277 VanDerWaalsContact NE2-OG1 3.15Å; Q18-R368 PolarHBondContact O-NH2 3Å; Q18-R368 VanDerWaalsContact O-NH2 3.16Å
19P61.2Low82.8Confident46 Ų4619.4 Ų19.430%0.29911%0.105SC..  trans-58.7158.717423.9-33.1000113D21 R368P19-D21 PolarHBondContact O-N 3.08Å; P19-R368 PolarHBondContact O-NH2 3.35Å
20T62.2Low82.8Confident31 Ų3116 Ų1619%0.199%0.092CC..SBendtrans-74.911.3-164.948.30000115.6S606T20-S606 WeakPolarHBondContact CB-OG 3.33Å; T20-S606 WeakPolarHBondContact OG1-CB 3.34Å; T20-S606 PolarHBondContact OG1-N 3.42Å; T20-S606 PolarHBondContact OG1-OG 2.97Å
21D59.5Low82.7Confident31 Ų3116 Ų1617%0.1669%0.092CC..SBendtrans-79.3-175.8176.477.1-62.4000112.7P19 I23 K270 R368P19-D21 PolarHBondContact O-N 3.08Å; D21-I23 PolarHBondContact O-N 2.92Å; D21-K270 VanDerWaalsContact CG-NZ 3.26Å; D21-K270 IonicContact OD1-NZ 2.64Å; D21-K270 PolarHBondContact OD1-NZ 3Å; D21-K270 IonicContact OD2-NZ 2.72Å; D21-K270 PolarHBondContact OD2-NZ 3.38Å; D21-R368 WeakPolarHBondContact O-CD 3.42Å; D21-R368 WeakPolarHBondContact O-CG 3.46Å; D21-R368 PolarHBondContact O-NE 3.11Å
22S71.5Confident82.4Confident8 Ų816.1 Ų16.16%0.0569%0.092CC..  trans-64.7123171.1-79.90000110.8R368 S370S22-R368 VanDerWaalsContact CA-O 3.3Å; S22-R368 WeakPolarHBondContact CA-O 3.5Å; S22-S370 VanDerWaalsContact OG-C 3.26Å; S22-S370 PolarHBondContact OG-N 2.78Å; S22-S370 PolarHBondContact OG-O 2.63Å
23I80.3Confident82.2Confident1 Ų115.8 Ų15.81%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-127.8149.417669.6178.1000110.8Y15 Q18 D21 F25 G367 R368Y15-I23 HydrophobicContact CD2-CD1 3.77Å; Y15-I23 HydrophobicContact CE2-CD1 3.98Å; Y15-I23 HydrophobicContact CE2-CG1 4.42Å; Y15-I23 HydrophobicContact CG-CD1 4.38Å; Q18-I23 HydrophobicContact CB-CD1 3.64Å; Q18-I23 HydrophobicContact CB-CG2 4.16Å; Q18-I23 HydrophobicContact CG-CD1 3.87Å; D21-I23 PolarHBondContact O-N 2.92Å; I23-F25 HydrophobicContact CD1-CD1 4.37Å; I23-F25 HydrophobicContact CD1-CE1 4.04Å; I23-G367 CarbonylContact O-C 3.59Å; I23-G367 WeakPolarHBondContact O-CA 3.23Å; I23-R368 HydrophobicContact CG1-CB 4.29Å; I23-R368 PolarHBondContact N-O 2.84Å; I23-R368 PolarHBondContact O-N 2.87Å
24V86.5Confident82.2Confident0 Ų015 Ų150%09%0.085CC..EExtended strand (participates in β ladder)trans-145.2134.416266.40000108L268 K270 T312 I314 F353 F365V24-L268 HydrophobicContact CB-CB 4.36Å; V24-L268 HydrophobicContact CB-CD1 4.33Å; V24-L268 HydrophobicContact CG1-CB 3.72Å; V24-K270 HydrophobicContact CG1-CB 4.4Å; V24-T312 HydrophobicContact CG1-CG2 4.03Å; V24-T312 HydrophobicContact CG2-CG2 4.15Å; V24-T312 WeakPolarHBondContact O-CB 3.3Å; V24-T312 PolarHBondContact O-OG1 3.01Å; V24-I314 HydrophobicContact CB-CG2 4.34Å; V24-I314 HydrophobicContact CG1-CG2 4.03Å; V24-I314 HydrophobicContact CG2-CB 4.47Å; V24-I314 HydrophobicContact CG2-CG2 4.08Å; V24-F353 HydrophobicContact CB-CZ 3.99Å; V24-F353 HydrophobicContact CG2-CE2 3.94Å; V24-F353 HydrophobicContact CG2-CZ 3.81Å; V24-F365 HydrophobicContact CG2-CD1 4.19Å
25F88.5Confident82.2Confident0 Ų015 Ų150%09%0.085CC..EExtended strand (participates in β ladder)trans-147.8165.1174.864-86.9000110.5S11 L14 Y15 I23 P27 I30 M272 T312 F365 L366S11-F25 WeakPolarHBondContact O-CZ 3.36Å; L14-F25 HydrophobicContact CB-CD2 4.41Å; L14-F25 HydrophobicContact CB-CE2 3.53Å; L14-F25 HydrophobicContact CB-CZ 3.71Å; L14-F25 HydrophobicContact CD1-CD2 4.19Å; L14-F25 HydrophobicContact CD1-CE2 3.8Å; L14-F25 HydrophobicContact CG-CE2 4.36Å; Y15-F25 HydrophobicContact CD2-CE1 4.22Å; I23-F25 HydrophobicContact CD1-CD1 4.37Å; I23-F25 HydrophobicContact CD1-CE1 4.04Å; F25-P27 HydrophobicContact CD2-CG 4.13Å; F25-P27 HydrophobicContact CE2-CB 4.48Å; F25-P27 HydrophobicContact CE2-CG 3.79Å; F25-I30 HydrophobicContact CB-CD1 4.36Å; F25-I30 HydrophobicContact CD2-CD1 3.9Å; F25-M272 HydrophobicContact CB-SD 3.71Å; F25-M272 HydrophobicContact CG-SD 4.28Å; F25-T312 WeakPolarHBondContact CA-OG1 3.41Å; F25-F365 WeakPolarHBondContact O-CA 3.14Å; F25-L366 HydrophobicContact CE1-CB 4.45Å; F25-L366 HydrophobicContact CE2-CB 4.49Å; F25-L366 HydrophobicContact CZ-CB 4.17Å; F25-L366 HydrophobicContact CZ-CD2 4.14Å; F25-L366 HydrophobicContact CZ-CG 4.42Å; F25-L366 PolarHBondContact N-O 2.81Å; F25-L366 PolarHBondContact O-N 2.88Å
26S90Very high82.3Confident0 Ų014.9 Ų14.90%09%0.085CC..  trans-110.2105.9173.6-179.30000111V28 S29 I30 I162 H310 L364S26-V28 VanDerWaalsContact C-N 3.28Å; S26-V28 PolarHBondContact O-N 3Å; S26-S29 PolarHBondContact O-N 3.38Å; S26-S29 WeakPolarHBondContact OG-CB 3.49Å; S26-S29 PolarHBondContact OG-N 3.4Å; S26-S29 VanDerWaalsContact OG-N 3.15Å; S26-I30 WeakPolarHBondContact O-CG1 3.34Å; S26-I30 PolarHBondContact O-N 3.12Å; S26-I162 WeakPolarHBondContact OG-CD1 3.15Å; S26-H310 PolarHBondContact N-NE2 3.5Å; S26-L364 WeakPolarHBondContact CA-O 3.41Å; S26-L364 VanDerWaalsContact CB-O 3.27Å; S26-L364 WeakPolarHBondContact CB-O 3.42Å; S26-L364 PolarHBondContact OG-O 2.83Å
27P90.1Very high82.6Confident1 Ų19.3 Ų9.31%0.0066%0.058CC..Hα-helixtrans-58.7-41.3176.2-18.828.3000112.1S11 F25 I30 I31 I363 L366S11-P27 WeakPolarHBondContact OG-CB 3.41Å; S11-P27 VanDerWaalsContact OG-CG 3.28Å; S11-P27 WeakPolarHBondContact OG-CG 3.32Å; F25-P27 HydrophobicContact CD2-CG 4.13Å; F25-P27 HydrophobicContact CE2-CB 4.48Å; F25-P27 HydrophobicContact CE2-CG 3.79Å; P27-I30 PolarHBondContact O-N 3.1Å; P27-I31 WeakPolarHBondContact O-CB 3.3Å; P27-I31 PolarHBondContact O-N 3.04Å; P27-I363 HydrophobicContact CG-CG2 4.35Å; P27-L366 HydrophobicContact CG-CB 4.28Å
28V85.6Confident83.1Confident1 Ų17.7 Ų7.71%0.0065%0.045CC..Hα-helixtrans-60-48176.4169.90000111.4S26 I31 L32 L70 V74 W86 V362 L364S26-V28 VanDerWaalsContact C-N 3.28Å; S26-V28 PolarHBondContact O-N 3Å; V28-I31 PolarHBondContact O-N 3.49Å; V28-L32 HydrophobicContact CG1-CD1 3.88Å; V28-L32 WeakPolarHBondContact O-CB 3.45Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.31Å; V28-L32 PolarHBondContact O-N 3.23Å; V28-L70 HydrophobicContact CB-CD2 4.17Å; V28-L70 HydrophobicContact CG1-CD2 3.87Å; V28-L70 HydrophobicContact CG2-CD2 3.78Å; V28-V74 HydrophobicContact CG1-CG2 3.73Å; V28-W86 HydrophobicContact CG1-CH2 4.01Å; V28-V362 HydrophobicContact CG2-CG1 3.26Å; V28-L364 HydrophobicContact CG2-CD2 4.23Å
29S85.7Confident83.9Confident0 Ų08.4 Ų8.40%05%0.049CC..Hα-helixtrans-61-51.8178.9-156.50000110.1S26 I31 L32 A33 N90 N160S26-S29 PolarHBondContact O-N 3.38Å; S26-S29 WeakPolarHBondContact OG-CB 3.49Å; S26-S29 PolarHBondContact OG-N 3.4Å; S26-S29 VanDerWaalsContact OG-N 3.15Å; S29-I31 PolarHBondContact O-N 2.88Å; S29-L32 PolarHBondContact O-N 3.35Å; S29-A33 PolarHBondContact O-N 3.25Å; S29-A33 VanDerWaalsContact O-N 3.1Å; S29-N90 PolarHBondContact O-ND2 2.66Å; S29-N90 PolarHBondContact OG-OD1 3.27Å; S29-N160 VanDerWaalsContact CB-OD1 3.27Å; S29-N160 WeakPolarHBondContact CB-OD1 3.43Å; S29-N160 PolarHBondContact O-ND2 2.94Å; S29-N160 PolarHBondContact OG-OD1 2.97Å
30I89.7Confident85.4Confident0 Ų06.2 Ų6.20%04%0.035CC..Hα-helixtrans-56-49.9179.8-66.7165.4000111F10 L14 F25 S26 P27 L32 A33 L34 N160 L274 H310F10-I30 HydrophobicContact CE1-CG2 4.15Å; F10-I30 HydrophobicContact CZ-CG2 4.06Å; L14-I30 HydrophobicContact CD1-CB 4.41Å; L14-I30 HydrophobicContact CD1-CD1 3.68Å; L14-I30 HydrophobicContact CD1-CG2 4.16Å; F25-I30 HydrophobicContact CB-CD1 4.36Å; F25-I30 HydrophobicContact CD2-CD1 3.9Å; S26-I30 WeakPolarHBondContact O-CG1 3.34Å; S26-I30 PolarHBondContact O-N 3.12Å; P27-I30 PolarHBondContact O-N 3.1Å; I30-L32 VanDerWaalsContact C-N 3.31Å; I30-L32 PolarHBondContact O-N 3.33Å; I30-A33 PolarHBondContact O-N 3.02Å; I30-A33 VanDerWaalsContact O-N 3.16Å; I30-L34 HydrophobicContact CG2-CD1 3.72Å; I30-L34 HydrophobicContact CG2-CG 4.25Å; I30-L34 WeakPolarHBondContact O-CG 3.34Å; I30-L34 PolarHBondContact O-N 3.23Å; I30-N160 WeakPolarHBondContact CA-ND2 3.19Å; I30-N160 PolarHBondContact N-ND2 2.87Å; I30-L274 HydrophobicContact CD1-CD2 4.13Å; I30-L274 HydrophobicContact CG1-CD1 4.45Å; I30-L274 HydrophobicContact CG1-CD2 4.4Å; I30-L274 HydrophobicContact CG2-CD1 4.04Å; I30-L274 HydrophobicContact CG2-CD2 4.47Å; I30-H310 HydrophobicContact CG1-CB 4.15Å
31I88.7Confident86.9Confident1 Ų14.8 Ų4.81%0.0053%0.026CC..Hα-helixtrans-68-32.1-175.4-142.2175.2000111.7L7 F10 P27 V28 S29 S35 M53 F54 L70L7-I31 HydrophobicContact CD2-CD1 3.63Å; L7-I31 HydrophobicContact CD2-CG2 3.87Å; F10-I31 HydrophobicContact CB-CD1 4.37Å; F10-I31 HydrophobicContact CD1-CB 4.17Å; F10-I31 HydrophobicContact CD1-CD1 3.57Å; F10-I31 HydrophobicContact CD1-CG1 3.9Å; F10-I31 HydrophobicContact CE1-CB 3.84Å; F10-I31 HydrophobicContact CE1-CD1 3.98Å; F10-I31 HydrophobicContact CE1-CG1 3.75Å; F10-I31 HydrophobicContact CG-CD1 4Å; F10-I31 HydrophobicContact CZ-CG1 4.35Å; P27-I31 WeakPolarHBondContact O-CB 3.3Å; P27-I31 PolarHBondContact O-N 3.04Å; V28-I31 PolarHBondContact O-N 3.49Å; S29-I31 PolarHBondContact O-N 2.88Å; I31-S35 VanDerWaalsContact O-CB 3.27Å; I31-S35 WeakPolarHBondContact O-CB 3.39Å; I31-S35 PolarHBondContact O-N 2.94Å; I31-S35 PolarHBondContact O-OG 3.41Å; I31-M53 HydrophobicContact CD1-CB 4.28Å; I31-M53 HydrophobicContact CG1-CB 4.35Å; I31-M53 HydrophobicContact CG1-CE 3.6Å; I31-M53 HydrophobicContact CG1-CG 4.33Å; I31-F54 HydrophobicContact CD1-CE1 4.32Å; I31-L70 HydrophobicContact CG2-CD1 3.51Å; I31-L70 HydrophobicContact CG2-CD2 3.98Å; I31-L70 HydrophobicContact CG2-CG 4.41Å
32L86Confident88.6Confident5 Ų57.9 Ų7.93%0.0264%0.04CC..Hα-helixtrans-66.9-38.1172.6-75.9169.8000112.1V28 S29 I30 S35 M36 L70 M71 V74 N90 L112V28-L32 HydrophobicContact CG1-CD1 3.88Å; V28-L32 WeakPolarHBondContact O-CB 3.45Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.31Å; V28-L32 PolarHBondContact O-N 3.23Å; S29-L32 PolarHBondContact O-N 3.35Å; I30-L32 VanDerWaalsContact C-N 3.31Å; I30-L32 PolarHBondContact O-N 3.33Å; L32-S35 WeakPolarHBondContact O-CB 3.39Å; L32-S35 PolarHBondContact O-N 3.34Å; L32-M36 PolarHBondContact O-N 3.2Å; L32-L70 HydrophobicContact CD2-CB 3.85Å; L32-L70 HydrophobicContact CD2-CD1 4.21Å; L32-L70 HydrophobicContact CG-CB 4.28Å; L32-L70 HydrophobicContact CG-CD1 4.49Å; L32-M71 HydrophobicContact CD1-SD 3.93Å; L32-M71 HydrophobicContact CD2-CG 4.13Å; L32-M71 HydrophobicContact CD2-SD 3.75Å; L32-V74 HydrophobicContact CD1-CG2 3.95Å; L32-N90 VanDerWaalsContact CB-ND2 3.33Å; L32-N90 WeakPolarHBondContact CB-ND2 3.42Å; L32-L112 HydrophobicContact CD2-CD2 3.72Å
33A88.7Confident89.7Confident1 Ų19.5 Ų9.51%0.0086%0.058CC..Hα-helixtrans-73.8-38.7176.100000112.8S29 I30 S35 M36 N90 I158 N160S29-A33 PolarHBondContact O-N 3.25Å; S29-A33 VanDerWaalsContact O-N 3.1Å; I30-A33 PolarHBondContact O-N 3.02Å; I30-A33 VanDerWaalsContact O-N 3.16Å; A33-S35 VanDerWaalsContact C-N 3.26Å; A33-S35 PolarHBondContact O-N 2.87Å; A33-M36 HydrophobicContact CB-CE 4.02Å; A33-M36 VanDerWaalsContact O-CB 3.3Å; A33-M36 WeakPolarHBondContact O-CB 3.42Å; A33-M36 PolarHBondContact O-N 2.85Å; A33-N90 HydrophobicContact CB-CB 4.44Å; A33-I158 HydrophobicContact CB-CG2 3.79Å; A33-N160 HydrophobicContact CB-CB 4.26Å; A33-N160 WeakPolarHBondContact CB-ND2 3.21Å
34L90.5Very high90.4Very high8 Ų813.5 Ų13.54%0.0428%0.079CC..Hα-helixtrans-66.1-29.8171.4-66.7174.6000111.9F10 I30 M36 V37 Y38 M49 M53 I158 L278F10-L34 HydrophobicContact CZ-CD1 3.9Å; I30-L34 HydrophobicContact CG2-CD1 3.72Å; I30-L34 HydrophobicContact CG2-CG 4.25Å; I30-L34 WeakPolarHBondContact O-CG 3.34Å; I30-L34 PolarHBondContact O-N 3.23Å; L34-M36 PolarHBondContact O-N 3.13Å; L34-V37 PolarHBondContact O-N 3.32Å; L34-V37 VanDerWaalsContact O-N 3.1Å; L34-Y38 WeakPolarHBondContact O-CB 3.32Å; L34-Y38 PolarHBondContact O-N 3.5Å; L34-M49 HydrophobicContact CB-CE 4.27Å; L34-M49 VanDerWaalsContact O-CE 3.28Å; L34-M49 WeakPolarHBondContact O-CE 3.3Å; L34-M53 HydrophobicContact CB-CE 3.56Å; L34-M53 HydrophobicContact CB-SD 3.73Å; L34-M53 HydrophobicContact CD1-SD 4.46Å; L34-I158 HydrophobicContact CD2-CD1 4.13Å; L34-L278 HydrophobicContact CD1-CD1 4.01Å; L34-L278 HydrophobicContact CD1-CD2 3.89Å; L34-L278 HydrophobicContact CD2-CD1 3.72Å; L34-L278 HydrophobicContact CG-CD1 4.5Å
35S89.8Confident90.8Very high1 Ų113.5 Ų13.51%0.0078%0.079CC..Hα-helixtrans-62.2-27.1173.4-65.50000112.6I31 L32 A33 L39I31-S35 VanDerWaalsContact O-CB 3.27Å; I31-S35 WeakPolarHBondContact O-CB 3.39Å; I31-S35 PolarHBondContact O-N 2.94Å; I31-S35 PolarHBondContact O-OG 3.41Å; L32-S35 WeakPolarHBondContact O-CB 3.39Å; L32-S35 PolarHBondContact O-N 3.34Å; A33-S35 VanDerWaalsContact C-N 3.26Å; A33-S35 PolarHBondContact O-N 2.87Å; S35-L39 WeakPolarHBondContact O-CG 3.49Å; S35-L39 PolarHBondContact O-N 3.35Å; S35-L39 VanDerWaalsContact O-N 3.13Å
36M90.9Very high91.1Very high1 Ų115.9 Ų15.91%0.0059%0.09CC..Hα-helixtrans-65.2-44.6172.1-56.9-168.3-69.800111.5L32 A33 L34 G40 N90 L92 Y104 I108 L112 S114L32-M36 PolarHBondContact O-N 3.2Å; A33-M36 HydrophobicContact CB-CE 4.02Å; A33-M36 VanDerWaalsContact O-CB 3.3Å; A33-M36 WeakPolarHBondContact O-CB 3.42Å; A33-M36 PolarHBondContact O-N 2.85Å; L34-M36 PolarHBondContact O-N 3.13Å; M36-G40 PolarHBondContact O-N 3.19Å; M36-N90 HydrophobicContact CE-CB 4.37Å; M36-L92 HydrophobicContact CB-CD1 4.49Å; M36-L92 HydrophobicContact CE-CB 4.04Å; M36-L92 HydrophobicContact CE-CD1 4.04Å; M36-L92 HydrophobicContact SD-CB 4.38Å; M36-Y104 VanDerWaalsContact O-CE2 3.3Å; M36-Y104 WeakPolarHBondContact O-CE2 3.48Å; M36-Y104 PolarHBondContact O-OH 2.94Å; M36-I108 VanDerWaalsContact CA-CD1 3.46Å; M36-I108 HydrophobicContact CB-CD1 3.6Å; M36-I108 HydrophobicContact CG-CD1 3.87Å; M36-I108 HydrophobicContact SD-CG2 4.36Å; M36-L112 HydrophobicContact CB-CD1 4.45Å; M36-L112 HydrophobicContact CG-CD1 3.72Å; M36-S114 PolarHBondContact SD-OG 3.1Å
37V93.4Very high91.3Very high1 Ų121.9 Ų21.91%0.00612%0.118CC..Hα-helixtrans-74.3-34.7178.8-1790000111.2L34 L39 G40 S41 M49 L92 L156 I158 V286 L294 V305L34-V37 PolarHBondContact O-N 3.32Å; L34-V37 VanDerWaalsContact O-N 3.1Å; V37-L39 PolarHBondContact O-N 3.49Å; V37-G40 CarbonylContact O-C 3.55Å; V37-G40 WeakPolarHBondContact O-CA 3.45Å; V37-G40 PolarHBondContact O-N 3.36Å; V37-S41 WeakPolarHBondContact O-CB 3.37Å; V37-S41 PolarHBondContact O-N 3.26Å; V37-M49 HydrophobicContact CB-CE 4.1Å; V37-M49 HydrophobicContact CG1-CE 4.24Å; V37-M49 HydrophobicContact CG1-SD 4.18Å; V37-L92 HydrophobicContact CG2-CD1 3.67Å; V37-L92 HydrophobicContact CG2-CD2 4.49Å; V37-L156 HydrophobicContact CG2-CD2 4.18Å; V37-I158 HydrophobicContact CG2-CD1 3.65Å; V37-I158 HydrophobicContact CG2-CG1 4.07Å; V37-V286 HydrophobicContact CG1-CG2 3.58Å; V37-L294 HydrophobicContact CG1-CD1 4.45Å; V37-L294 HydrophobicContact CG1-CD2 3.74Å; V37-V305 HydrophobicContact CG1-CG2 4Å; V37-V305 HydrophobicContact CG2-CG2 4.33Å
38Y92.6Very high91.5Very high2 Ų223.2 Ų23.21%0.00812%0.124CC..Hα-helixtrans-57.1-47.3173.9177.1-104000112.1L34 G40 S41 K46 M49 T50 F54 F63L34-Y38 WeakPolarHBondContact O-CB 3.32Å; L34-Y38 PolarHBondContact O-N 3.5Å; Y38-G40 PolarHBondContact O-N 2.87Å; Y38-S41 PolarHBondContact O-N 3.42Å; Y38-S41 PolarHBondContact O-OG 2.85Å; Y38-K46 HydrophobicContact CD2-CG 4.02Å; Y38-K46 HydrophobicContact CE2-CD 4.24Å; Y38-K46 HydrophobicContact CE2-CG 3.47Å; Y38-K46 VanDerWaalsContact CE2-CG 3.47Å; Y38-K46 VanDerWaalsContact CZ-CE 3.42Å; Y38-K46 VanDerWaalsContact OH-CE 3.31Å; Y38-K46 WeakPolarHBondContact OH-CE 3.3Å; Y38-M49 HydrophobicContact CD2-CB 3.97Å; Y38-T50 WeakPolarHBondContact CE2-OG1 3.33Å; Y38-F54 HydrophobicContact CD1-CE2 4.16Å; Y38-F54 HydrophobicContact CD2-CE2 4.24Å; Y38-F54 HydrophobicContact CE1-CE2 4.16Å; Y38-F54 HydrophobicContact CE2-CD2 4.44Å; Y38-F54 HydrophobicContact CE2-CE2 4.23Å; Y38-F54 HydrophobicContact CG-CE2 4.2Å; Y38-F63 HydrophobicContact CD1-CD1 4.3Å; Y38-F63 AromaticContact CD1-CD2 3.59Å; Y38-F63 HydrophobicContact CD1-CD2 3.59Å; Y38-F63 HydrophobicContact CD1-CE1 4.15Å; Y38-F63 AromaticContact CD1-CE2 3.41Å; Y38-F63 HydrophobicContact CD1-CE2 3.41Å; Y38-F63 VanDerWaalsContact CD1-CE2 3.41Å; Y38-F63 HydrophobicContact CD1-CG 4.04Å; Y38-F63 AromaticContact CD1-CZ 3.71Å; Y38-F63 HydrophobicContact CD1-CZ 3.71Å; Y38-F63 HydrophobicContact CE1-CB 4.16Å; Y38-F63 AromaticContact CE1-CD1 4Å; Y38-F63 HydrophobicContact CE1-CD1 4Å; Y38-F63 AromaticContact CE1-CD2 3.46Å; Y38-F63 HydrophobicContact CE1-CD2 3.46Å; Y38-F63 VanDerWaalsContact CE1-CD2 3.46Å; Y38-F63 HydrophobicContact CE1-CE1 4.31Å; Y38-F63 AromaticContact CE1-CE2 3.82Å; Y38-F63 HydrophobicContact CE1-CE2 3.82Å; Y38-F63 AromaticContact CE1-CG 3.56Å; Y38-F63 HydrophobicContact CE1-CG 3.56Å; Y38-F63 HydrophobicContact CE1-CZ 4.22Å; Y38-F63 HydrophobicContact CG-CE2 4.36Å
39L91.3Very high91.9Very high37 Ų3723.3 Ų23.319%0.19412%0.124CC..Hα-helixtrans-59.4-26.4174.1-81.8168.7000113.4S35 V37 F63 Y104 I108 L111 L112S35-L39 WeakPolarHBondContact O-CG 3.49Å; S35-L39 PolarHBondContact O-N 3.35Å; S35-L39 VanDerWaalsContact O-N 3.13Å; V37-L39 PolarHBondContact O-N 3.49Å; L39-F63 HydrophobicContact CD1-CE1 4.27Å; L39-F63 HydrophobicContact CD1-CZ 4.32Å; L39-F63 HydrophobicContact CD2-CE1 3.72Å; L39-F63 HydrophobicContact CD2-CZ 4.36Å; L39-F63 HydrophobicContact CG-CE1 3.84Å; L39-F63 HydrophobicContact CG-CZ 3.97Å; L39-Y104 HydrophobicContact CB-CD2 4.39Å; L39-Y104 HydrophobicContact CB-CE2 4.01Å; L39-I108 HydrophobicContact CB-CD1 4.46Å; L39-I108 HydrophobicContact CD1-CD1 4.01Å; L39-L111 HydrophobicContact CD1-CD2 4.36Å; L39-L112 HydrophobicContact CD1-CD1 3.96Å
40G92.4Very high92.1Very high0 Ų023.6 Ų23.60%013%0.126CC..Hα-helixtrans-86.6-14.8176.200000114.7M36 V37 Y38 L294 S296 I297M36-G40 PolarHBondContact O-N 3.19Å; V37-G40 CarbonylContact O-C 3.55Å; V37-G40 WeakPolarHBondContact O-CA 3.45Å; V37-G40 PolarHBondContact O-N 3.36Å; Y38-G40 PolarHBondContact O-N 2.87Å; G40-L294 CarbonylContact O-C 3.59Å; G40-L294 VanDerWaalsContact O-C 3.22Å; G40-L294 VanDerWaalsContact O-CA 3.32Å; G40-L294 WeakPolarHBondContact O-CA 3.46Å; G40-S296 WeakPolarHBondContact O-CB 3.47Å; G40-S296 PolarHBondContact O-N 3.21Å; G40-S296 VanDerWaalsContact O-N 3.1Å; G40-I297 VanDerWaalsContact CA-CG1 3.43Å
41S93.8Very high92.2Very high1 Ų126 Ų261%0.00715%0.146CC..  trans-92.2151-167.672.70000114V37 Y38 K46 N293V37-S41 WeakPolarHBondContact O-CB 3.37Å; V37-S41 PolarHBondContact O-N 3.26Å; Y38-S41 PolarHBondContact O-N 3.42Å; Y38-S41 PolarHBondContact O-OG 2.85Å; S41-K46 WeakPolarHBondContact OG-CA 3.45Å; S41-K46 WeakPolarHBondContact OG-CB 3.42Å; S41-N293 CarbonylContact C-O 3.54Å; S41-N293 VanDerWaalsContact CA-O 3.32Å; S41-N293 WeakPolarHBondContact CA-O 3.22Å
42Q94.2Very high92.2Very high96 Ų9626.5 Ų26.545%0.44915%0.149SC..  trans-135.7174.9169.2-67.2-152.72000112.6T45 K46 N293 S296Q42-T45 WeakPolarHBondContact O-CB 3.5Å; Q42-T45 PolarHBondContact O-N 2.97Å; Q42-K46 PolarHBondContact O-N 3.48Å; Q42-K46 VanDerWaalsContact O-N 3.15Å; Q42-N293 PolarHBondContact N-O 3.16Å; Q42-S296 WeakPolarHBondContact CG-OG 3.4Å; Q42-S296 PolarHBondContact NE2-OG 3.39Å
43G94.2Very high92.3Very high43 Ų4326.4 Ų26.444%0.44315%0.148SC..Hα-helixtrans56.7-140173.400000114.2T45 K46 Q47G43-T45 PolarHBondContact O-N 3.41Å; G43-K46 PolarHBondContact O-N 3.24Å; G43-Q47 PolarHBondContact O-N 2.83Å
44N95.2Very high92Very high84 Ų8426.8 Ų26.845%0.44915%0.15SC..Hα-helixtrans-60.3-33.8-179.5-159.648.9000112.2Q47 Q48 D285N44-Q47 PolarHBondContact O-N 2.89Å; N44-Q48 PolarHBondContact ND2-NE2 2.96Å; N44-Q48 WeakPolarHBondContact O-CB 3.28Å; N44-Q48 WeakPolarHBondContact O-CG 3.43Å; N44-Q48 PolarHBondContact O-N 3.45Å; N44-D285 PolarHBondContact ND2-OD2 3.45Å
45T95.7Very high91.7Very high1 Ų129.9 Ų29.91%0.00617%0.166CC..Hα-helixtrans-60.8-47.7175.2-44.10000111.3Q42 G43 M49 V286 K291 N293Q42-T45 WeakPolarHBondContact O-CB 3.5Å; Q42-T45 PolarHBondContact O-N 2.97Å; G43-T45 PolarHBondContact O-N 3.41Å; T45-M49 WeakPolarHBondContact O-CG 3.16Å; T45-M49 PolarHBondContact O-N 3.38Å; T45-V286 HydrophobicContact CG2-CB 3.66Å; T45-V286 HydrophobicContact CG2-CG2 3.66Å; T45-K291 PolarHBondContact OG1-O 3.04Å; T45-N293 PolarHBondContact OG1-N 2.96Å
46K94.3Very high91.4Very high50 Ų5031.9 Ų31.922%0.21719%0.187CC..Hα-helixtrans-62.3-46.8175-164.3173.9-172.5174.20110.6Y38 S41 Q42 G43 Q48 M49 T50 E60Y38-K46 HydrophobicContact CD2-CG 4.02Å; Y38-K46 HydrophobicContact CE2-CD 4.24Å; Y38-K46 HydrophobicContact CE2-CG 3.47Å; Y38-K46 VanDerWaalsContact CE2-CG 3.47Å; Y38-K46 VanDerWaalsContact CZ-CE 3.42Å; Y38-K46 VanDerWaalsContact OH-CE 3.31Å; Y38-K46 WeakPolarHBondContact OH-CE 3.3Å; S41-K46 WeakPolarHBondContact OG-CA 3.45Å; S41-K46 WeakPolarHBondContact OG-CB 3.42Å; Q42-K46 PolarHBondContact O-N 3.48Å; Q42-K46 VanDerWaalsContact O-N 3.15Å; G43-K46 PolarHBondContact O-N 3.24Å; K46-Q48 PolarHBondContact O-N 3.47Å; K46-M49 PolarHBondContact O-N 3.31Å; K46-T50 PolarHBondContact O-N 3.09Å; K46-T50 PolarHBondContact O-OG1 2.99Å; K46-E60 IonicContact NZ-OE1 2.7Å; K46-E60 PolarHBondContact NZ-OE1 2.96Å
47Q93.8Very high91Very high126 Ų12634.5 Ų34.559%0.58920%0.201SC*.Hα-helixtrans-59.8-42.9179.9-73.1-173.7-41.500113.8G43 N44 T50 A51G43-Q47 PolarHBondContact O-N 2.83Å; N44-Q47 PolarHBondContact O-N 2.89Å; Q47-T50 PolarHBondContact O-N 2.85Å; Q47-A51 WeakPolarHBondContact O-CB 3.4Å; Q47-A51 PolarHBondContact O-N 3Å
48Q95.3Very high90.3Very high29 Ų2940.1 Ų40.114%0.13623%0.231CC..Hα-helixtrans-60.3-46.2174.8-76.2176.75.300111.5N44 K46 T50 A51 V52 V283 T284 D285N44-Q48 PolarHBondContact ND2-NE2 2.96Å; N44-Q48 WeakPolarHBondContact O-CB 3.28Å; N44-Q48 WeakPolarHBondContact O-CG 3.43Å; N44-Q48 PolarHBondContact O-N 3.45Å; K46-Q48 PolarHBondContact O-N 3.47Å; Q48-T50 PolarHBondContact O-N 2.57Å; Q48-A51 PolarHBondContact O-N 2.88Å; Q48-V52 PolarHBondContact O-N 3.49Å; Q48-V283 HydrophobicContact CB-CG1 4.48Å; Q48-T284 PolarHBondContact NE2-OG1 3.13Å; Q48-T284 PolarHBondContact OE1-OG1 3.06Å; Q48-D285 PolarHBondContact NE2-OD1 3.1Å; Q48-D285 PolarHBondContact NE2-OD2 2.73Å; Q48-D285 PolarHBondContact OE1-OD1 2.64Å
49M93.3Very high89.8Confident3 Ų343.4 Ų43.42%0.01525%0.249CC..Hα-helixtrans-62.7-42.2176.5-67.1-174.776.200111.6L34 V37 Y38 T45 K46 A51 V52 M53 V283 V286L34-M49 HydrophobicContact CB-CE 4.27Å; L34-M49 VanDerWaalsContact O-CE 3.28Å; L34-M49 WeakPolarHBondContact O-CE 3.3Å; V37-M49 HydrophobicContact CB-CE 4.1Å; V37-M49 HydrophobicContact CG1-CE 4.24Å; V37-M49 HydrophobicContact CG1-SD 4.18Å; Y38-M49 HydrophobicContact CD2-CB 3.97Å; T45-M49 WeakPolarHBondContact O-CG 3.16Å; T45-M49 PolarHBondContact O-N 3.38Å; K46-M49 PolarHBondContact O-N 3.31Å; M49-A51 PolarHBondContact O-N 2.99Å; M49-V52 PolarHBondContact O-N 3.18Å; M49-M53 HydrophobicContact CB-SD 4.23Å; M49-M53 HydrophobicContact CE-SD 3.86Å; M49-M53 VanDerWaalsContact O-CB 3.32Å; M49-M53 WeakPolarHBondContact O-CB 3.39Å; M49-M53 WeakPolarHBondContact O-CG 3.31Å; M49-M53 PolarHBondContact O-N 3.19Å; M49-V283 HydrophobicContact CG-CG1 3.77Å; M49-V286 HydrophobicContact SD-CG2 4.29Å
50T90.7Very high89.3Confident6 Ų647 Ų474%0.03727%0.265CS..Hα-helixtrans-60.5-44.6175.4-49.10000112.5Y38 K46 Q47 Q48 V52 F54 N55 G56 D57 D58Y38-T50 WeakPolarHBondContact CE2-OG1 3.33Å; K46-T50 PolarHBondContact O-N 3.09Å; K46-T50 PolarHBondContact O-OG1 2.99Å; Q47-T50 PolarHBondContact O-N 2.85Å; Q48-T50 PolarHBondContact O-N 2.57Å; T50-V52 VanDerWaalsContact C-N 3.28Å; T50-V52 PolarHBondContact O-N 3.38Å; T50-F54 HydrophobicContact CG2-CB 4.26Å; T50-F54 CarbonylContact O-C 3.41Å; T50-F54 WeakPolarHBondContact O-CA 3.27Å; T50-F54 PolarHBondContact O-N 3.01Å; T50-N55 PolarHBondContact O-N 3.43Å; T50-N55 VanDerWaalsContact O-N 3.13Å; T50-G56 PolarHBondContact O-N 2.66Å; T50-D57 VanDerWaalsContact CG2-C 3.44Å; T50-D57 WeakPolarHBondContact CG2-O 3.38Å; T50-D58 HydrophobicContact CG2-CB 4.07Å
51A91Very high88.8Confident50 Ų5054.1 Ų54.141%0.41330%0.296SS..Hα-helixtrans-60.1-38-179.800000112.4R9 Q47 Q48 M49R9-A51 PolarHBondContact NH2-O 3.48Å; Q47-A51 WeakPolarHBondContact O-CB 3.4Å; Q47-A51 PolarHBondContact O-N 3Å; Q48-A51 PolarHBondContact O-N 2.88Å; M49-A51 PolarHBondContact O-N 2.99Å
52V90.1Very high88.3Confident11 Ų1158.1 Ų58.17%0.06731%0.314CS..Hα-helixtrans-86.2-49.3-177.6178.30000112.5R9 F10 Q48 M49 T50 L281 V283R9-V52 PolarHBondContact NH2-O 3.23Å; F10-V52 HydrophobicContact CD2-CG1 4.1Å; F10-V52 HydrophobicContact CE2-CG1 3.96Å; Q48-V52 PolarHBondContact O-N 3.49Å; M49-V52 PolarHBondContact O-N 3.18Å; T50-V52 VanDerWaalsContact C-N 3.28Å; T50-V52 PolarHBondContact O-N 3.38Å; V52-L281 HydrophobicContact CG1-CB 3.93Å; V52-L281 HydrophobicContact CG1-CD1 4.23Å; V52-L281 HydrophobicContact CG2-CB 4.3Å; V52-L281 WeakPolarHBondContact CG2-O 3.42Å; V52-V283 HydrophobicContact CB-CG2 3.83Å; V52-V283 HydrophobicContact CG1-CG2 4.23Å; V52-V283 HydrophobicContact CG2-CG2 3.65Å
53M86.8Confident87.8Confident4 Ų453.8 Ų53.82%0.0229%0.294CS..Hα-helixtrans-78.6-40.1-175.6-63.5170.566.400112.9F10 I31 L34 M49F10-M53 HydrophobicContact CE2-CG 4.28Å; I31-M53 HydrophobicContact CD1-CB 4.28Å; I31-M53 HydrophobicContact CG1-CB 4.35Å; I31-M53 HydrophobicContact CG1-CE 3.6Å; I31-M53 HydrophobicContact CG1-CG 4.33Å; L34-M53 HydrophobicContact CB-CE 3.56Å; L34-M53 HydrophobicContact CB-SD 3.73Å; L34-M53 HydrophobicContact CD1-SD 4.46Å; M49-M53 HydrophobicContact CB-SD 4.23Å; M49-M53 HydrophobicContact CE-SD 3.86Å; M49-M53 VanDerWaalsContact O-CB 3.32Å; M49-M53 WeakPolarHBondContact O-CB 3.39Å; M49-M53 WeakPolarHBondContact O-CG 3.31Å; M49-M53 PolarHBondContact O-N 3.19Å
54F83.5Confident87.3Confident8 Ų855 Ų554%0.03529%0.288CS..SBendtrans-120.512.6-168.3-50.9-55000113.6N6 I31 Y38 T50 G56 D57 F63N6-F54 PolarHBondContact ND2-O 3.45Å; I31-F54 HydrophobicContact CD1-CE1 4.32Å; Y38-F54 HydrophobicContact CD1-CE2 4.16Å; Y38-F54 HydrophobicContact CD2-CE2 4.24Å; Y38-F54 HydrophobicContact CE1-CE2 4.16Å; Y38-F54 HydrophobicContact CE2-CD2 4.44Å; Y38-F54 HydrophobicContact CE2-CE2 4.23Å; Y38-F54 HydrophobicContact CG-CE2 4.2Å; T50-F54 HydrophobicContact CG2-CB 4.26Å; T50-F54 CarbonylContact O-C 3.41Å; T50-F54 WeakPolarHBondContact O-CA 3.27Å; T50-F54 PolarHBondContact O-N 3.01Å; F54-G56 PolarHBondContact O-N 2.89Å; F54-D57 HydrophobicContact CB-CB 4.45Å; F54-D57 WeakPolarHBondContact O-CB 3.39Å; F54-D57 PolarHBondContact O-N 3.02Å; F54-F63 HydrophobicContact CD2-CD2 4.46Å; F54-F63 HydrophobicContact CE1-CD2 4.22Å; F54-F63 AromaticContact CE2-CD2 3.6Å; F54-F63 HydrophobicContact CE2-CD2 3.6Å; F54-F63 HydrophobicContact CE2-CE2 4.01Å; F54-F63 AromaticContact CZ-CD2 3.45Å; F54-F63 HydrophobicContact CZ-CD2 3.45Å; F54-F63 VanDerWaalsContact CZ-CD2 3.45Å; F54-F63 AromaticContact CZ-CE2 3.67Å; F54-F63 HydrophobicContact CZ-CE2 3.67Å
55N83.9Confident86.7Confident73 Ų7355.1 Ų55.139%0.3929%0.289SS..THydrogen-bonded Turntrans58.930.3178.4-166.625.4000113.1N6 R9 T50N6-N55 WeakPolarHBondContact OD1-CB 3.25Å; N6-N55 PolarHBondContact OD1-ND2 3.16Å; R9-N55 PolarHBondContact NH1-OD1 2.74Å; T50-N55 PolarHBondContact O-N 3.43Å; T50-N55 VanDerWaalsContact O-N 3.13Å
56G83Confident86Confident43 Ų4355.7 Ų55.744%0.44329%0.292SS..THydrogen-bonded Turntrans85.83.618000000115.6T50 F54 D58T50-G56 PolarHBondContact O-N 2.66Å; F54-G56 PolarHBondContact O-N 2.89Å; G56-D58 PolarHBondContact O-N 3.2Å
57D82Confident85.4Confident56 Ų5653.4 Ų53.430%0.29928%0.282SS..  trans-76.2101.9174.9-168.2-7000110.7T50 F54 H62T50-D57 VanDerWaalsContact CG2-C 3.44Å; T50-D57 WeakPolarHBondContact CG2-O 3.38Å; F54-D57 HydrophobicContact CB-CB 4.45Å; F54-D57 WeakPolarHBondContact O-CB 3.39Å; F54-D57 PolarHBondContact O-N 3.02Å; D57-H62 VanDerWaalsContact CG-ND1 3.31Å; D57-H62 IonicContact OD1-CE1 2.64Å; D57-H62 IonicContact OD1-CG 3.89Å; D57-H62 IonicContact OD1-ND1 3.91Å; D57-H62 PolarHBondContact OD1-ND1 3.08Å; D57-H62 IonicContact OD2-CE1 2.71Å; D57-H62 IonicContact OD2-CG 2.93Å; D57-H62 IonicContact OD2-ND1 3.95Å; D57-H62 PolarHBondContact OD2-ND1 3.09Å
58D79.1Confident84.9Confident119 Ų11952.9 Ų52.964%0.63627%0.274SS*.  trans-96.26.3-176.163.9-17.9000114.5T50 G56 E60T50-D58 HydrophobicContact CG2-CB 4.07Å; G56-D58 PolarHBondContact O-N 3.2Å; D58-E60 PolarHBondContact O-N 3.11Å
59D82.5Confident84.2Confident72 Ų7253.6 Ų53.639%0.38528%0.279SS..  trans-67.2117.2173.7-170.6-45.7000110.6K61 H62 F63D59-K61 PolarHBondContact O-N 3.13Å; D59-K61 WeakPolarHBondContact OD1-CA 3.37Å; D59-K61 VanDerWaalsContact OD1-CB 3.28Å; D59-K61 WeakPolarHBondContact OD1-CB 3.41Å; D59-K61 PolarHBondContact OD1-N 3.39Å; D59-H62 HydrophobicContact CB-CB 4.1Å; D59-H62 WeakPolarHBondContact O-CA 3.35Å; D59-H62 WeakPolarHBondContact O-CB 3.34Å; D59-H62 PolarHBondContact O-N 3.32Å; D59-H62 PolarHBondContact OD1-N 3.29Å; D59-F63 PolarHBondContact O-N 2.76Å
60E79.9Confident83.7Confident113 Ų11353.5 Ų53.553%0.52828%0.278SS..Hα-helixtrans-64.3-24.5-175.7-153.7147.6-107.900112.8K46 D58 E64K46-E60 IonicContact NZ-OE1 2.7Å; K46-E60 PolarHBondContact NZ-OE1 2.96Å; D58-E60 PolarHBondContact O-N 3.11Å; E60-E64 WeakPolarHBondContact O-CG 3.27Å; E60-E64 PolarHBondContact O-N 3.19Å
61K83.2Confident83.2Confident148 Ų14854.1 Ų54.164%0.64328%0.281SS*.Hα-helixtrans-77.4-32.8170.6-64.4177.6178172.50112.6D59 F63 E64 N65D59-K61 PolarHBondContact O-N 3.13Å; D59-K61 WeakPolarHBondContact OD1-CA 3.37Å; D59-K61 VanDerWaalsContact OD1-CB 3.28Å; D59-K61 WeakPolarHBondContact OD1-CB 3.41Å; D59-K61 PolarHBondContact OD1-N 3.39Å; K61-F63 VanDerWaalsContact C-N 3.32Å; K61-E64 PolarHBondContact O-N 3.38Å; K61-N65 VanDerWaalsContact O-CB 3.32Å; K61-N65 WeakPolarHBondContact O-CB 3.49Å; K61-N65 PolarHBondContact O-N 2.95Å; K61-N65 PolarHBondContact O-ND2 3.42Å
62H83.2Confident82.5Confident85 Ų8554.4 Ų54.439%0.39428%0.28SS..Hα-helixtrans-65-41.8170.2-69.4171.4000110D57 D59 N65 N66D57-H62 VanDerWaalsContact CG-ND1 3.31Å; D57-H62 IonicContact OD1-CE1 2.64Å; D57-H62 IonicContact OD1-CG 3.89Å; D57-H62 IonicContact OD1-ND1 3.91Å; D57-H62 PolarHBondContact OD1-ND1 3.08Å; D57-H62 IonicContact OD2-CE1 2.71Å; D57-H62 IonicContact OD2-CG 2.93Å; D57-H62 IonicContact OD2-ND1 3.95Å; D57-H62 PolarHBondContact OD2-ND1 3.09Å; D59-H62 HydrophobicContact CB-CB 4.1Å; D59-H62 WeakPolarHBondContact O-CA 3.35Å; D59-H62 WeakPolarHBondContact O-CB 3.34Å; D59-H62 PolarHBondContact O-N 3.32Å; D59-H62 PolarHBondContact OD1-N 3.29Å; H62-N65 PolarHBondContact O-N 3.4Å; H62-N66 WeakPolarHBondContact O-CB 3.48Å; H62-N66 PolarHBondContact O-N 2.79Å; H62-N66 PolarHBondContact O-ND2 2.87Å; H62-N66 VanDerWaalsContact O-ND2 3.12Å
63F84.3Confident81.8Confident5 Ų553.9 Ų53.92%0.02228%0.277CS..Hα-helixtrans-57.5-51.7170.1172.3-100.1000112.5Y38 L39 F54 D59 K61 N65 N66 A67 L111Y38-F63 HydrophobicContact CD1-CD1 4.3Å; Y38-F63 AromaticContact CD1-CD2 3.59Å; Y38-F63 HydrophobicContact CD1-CD2 3.59Å; Y38-F63 HydrophobicContact CD1-CE1 4.15Å; Y38-F63 AromaticContact CD1-CE2 3.41Å; Y38-F63 HydrophobicContact CD1-CE2 3.41Å; Y38-F63 VanDerWaalsContact CD1-CE2 3.41Å; Y38-F63 HydrophobicContact CD1-CG 4.04Å; Y38-F63 AromaticContact CD1-CZ 3.71Å; Y38-F63 HydrophobicContact CD1-CZ 3.71Å; Y38-F63 HydrophobicContact CE1-CB 4.16Å; Y38-F63 AromaticContact CE1-CD1 4Å; Y38-F63 HydrophobicContact CE1-CD1 4Å; Y38-F63 AromaticContact CE1-CD2 3.46Å; Y38-F63 HydrophobicContact CE1-CD2 3.46Å; Y38-F63 VanDerWaalsContact CE1-CD2 3.46Å; Y38-F63 HydrophobicContact CE1-CE1 4.31Å; Y38-F63 AromaticContact CE1-CE2 3.82Å; Y38-F63 HydrophobicContact CE1-CE2 3.82Å; Y38-F63 AromaticContact CE1-CG 3.56Å; Y38-F63 HydrophobicContact CE1-CG 3.56Å; Y38-F63 HydrophobicContact CE1-CZ 4.22Å; Y38-F63 HydrophobicContact CG-CE2 4.36Å; L39-F63 HydrophobicContact CD1-CE1 4.27Å; L39-F63 HydrophobicContact CD1-CZ 4.32Å; L39-F63 HydrophobicContact CD2-CE1 3.72Å; L39-F63 HydrophobicContact CD2-CZ 4.36Å; L39-F63 HydrophobicContact CG-CE1 3.84Å; L39-F63 HydrophobicContact CG-CZ 3.97Å; F54-F63 HydrophobicContact CD2-CD2 4.46Å; F54-F63 HydrophobicContact CE1-CD2 4.22Å; F54-F63 AromaticContact CE2-CD2 3.6Å; F54-F63 HydrophobicContact CE2-CD2 3.6Å; F54-F63 HydrophobicContact CE2-CE2 4.01Å; F54-F63 AromaticContact CZ-CD2 3.45Å; F54-F63 HydrophobicContact CZ-CD2 3.45Å; F54-F63 VanDerWaalsContact CZ-CD2 3.45Å; F54-F63 AromaticContact CZ-CE2 3.67Å; F54-F63 HydrophobicContact CZ-CE2 3.67Å; D59-F63 PolarHBondContact O-N 2.76Å; K61-F63 VanDerWaalsContact C-N 3.32Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 2.69Å; F63-N66 PolarHBondContact O-N 3.29Å; F63-A67 HydrophobicContact CZ-CB 4.49Å; F63-A67 WeakPolarHBondContact O-CB 3.46Å; F63-A67 PolarHBondContact O-N 2.88Å; F63-L111 HydrophobicContact CD1-CD2 4.23Å; F63-L111 HydrophobicContact CE1-CD2 3.51Å; F63-L111 HydrophobicContact CZ-CD2 4.22Å
64E83Confident81.1Confident69 Ų6954.3 Ų54.332%0.32228%0.28SS..Hα-helixtrans-56.7-43.2177.1-76.8-156.7143.200112.5E60 K61 A67 R68 L111E60-E64 WeakPolarHBondContact O-CG 3.27Å; E60-E64 PolarHBondContact O-N 3.19Å; K61-E64 PolarHBondContact O-N 3.38Å; E64-A67 PolarHBondContact O-N 2.79Å; E64-R68 WeakPolarHBondContact O-CB 3.14Å; E64-R68 VanDerWaalsContact O-CG 3.3Å; E64-R68 WeakPolarHBondContact O-CG 3.27Å; E64-R68 PolarHBondContact O-N 2.64Å; E64-R68 IonicContact OE1-NH2 3.66Å; E64-R68 PolarHBondContact OE1-NH2 3.47Å; E64-R68 VanDerWaalsContact OE1-NH2 3.1Å; E64-R68 IonicContact OE2-CZ 3.89Å; E64-R68 IonicContact OE2-NH1 3.78Å; E64-R68 PolarHBondContact OE2-NH1 3.44Å; E64-R68 IonicContact OE2-NH2 2.93Å; E64-R68 PolarHBondContact OE2-NH2 3Å; E64-L111 HydrophobicContact CB-CD1 4.36Å; E64-L111 HydrophobicContact CG-CD1 3.99Å; E64-L111 HydrophobicContact CG-CD2 4.45Å
65N82Confident80.4Confident87 Ų8758.9 Ų58.947%0.46530%0.301SS..Hα-helixtrans-69.6-36.5-179.4-71.5-26000112K61 H62 F63 L69K61-N65 VanDerWaalsContact O-CB 3.32Å; K61-N65 WeakPolarHBondContact O-CB 3.49Å; K61-N65 PolarHBondContact O-N 2.95Å; K61-N65 PolarHBondContact O-ND2 3.42Å; H62-N65 PolarHBondContact O-N 3.4Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 2.69Å; N65-L69 WeakPolarHBondContact O-CB 3.49Å; N65-L69 PolarHBondContact O-N 3.02Å
66N82.1Confident79.4Confident13 Ų1359 Ų597%0.0731%0.308CS..Hα-helixtrans-64.8-45.7172.6-68.2-25000110.8P3 H62 F63 L69 L70P3-N66 VanDerWaalsContact CB-OD1 3.25Å; P3-N66 WeakPolarHBondContact CB-OD1 3.28Å; P3-N66 WeakPolarHBondContact CG-OD1 3.34Å; H62-N66 WeakPolarHBondContact O-CB 3.48Å; H62-N66 PolarHBondContact O-N 2.79Å; H62-N66 PolarHBondContact O-ND2 2.87Å; H62-N66 VanDerWaalsContact O-ND2 3.12Å; F63-N66 PolarHBondContact O-N 3.29Å; N66-L69 PolarHBondContact O-N 2.83Å; N66-L70 WeakPolarHBondContact O-CB 3.22Å; N66-L70 WeakPolarHBondContact O-CD1 3.32Å; N66-L70 VanDerWaalsContact O-CG 3.27Å; N66-L70 WeakPolarHBondContact O-CG 3.32Å; N66-L70 PolarHBondContact O-N 2.75Å
67A82Confident78.4Confident1 Ų157 Ų571%0.00829%0.287CS..Hα-helixtrans-61.3-43.4175.700000112F63 E64 L70 M71 L111 L112F63-A67 HydrophobicContact CZ-CB 4.49Å; F63-A67 WeakPolarHBondContact O-CB 3.46Å; F63-A67 PolarHBondContact O-N 2.88Å; E64-A67 PolarHBondContact O-N 2.79Å; A67-L70 WeakPolarHBondContact O-CB 3.48Å; A67-L70 PolarHBondContact O-N 2.84Å; A67-M71 WeakPolarHBondContact O-CB 3.42Å; A67-M71 WeakPolarHBondContact O-CG 3.42Å; A67-M71 PolarHBondContact O-N 3.18Å; A67-L111 HydrophobicContact CB-CD2 3.89Å; A67-L111 HydrophobicContact CB-CG 4.14Å; A67-L112 HydrophobicContact CB-CD2 4.11Å
68R81.5Confident77.3Confident115 Ų11558.5 Ų58.543%0.43430%0.295SS..Hα-helixtrans-65.8-39.5174.6-73.3177.5-170.9121.411.1112.8E64 L70 M71 S72E64-R68 WeakPolarHBondContact O-CB 3.14Å; E64-R68 VanDerWaalsContact O-CG 3.3Å; E64-R68 WeakPolarHBondContact O-CG 3.27Å; E64-R68 PolarHBondContact O-N 2.64Å; E64-R68 IonicContact OE1-NH2 3.66Å; E64-R68 PolarHBondContact OE1-NH2 3.47Å; E64-R68 VanDerWaalsContact OE1-NH2 3.1Å; E64-R68 IonicContact OE2-CZ 3.89Å; E64-R68 IonicContact OE2-NH1 3.78Å; E64-R68 PolarHBondContact OE2-NH1 3.44Å; E64-R68 IonicContact OE2-NH2 2.93Å; E64-R68 PolarHBondContact OE2-NH2 3Å; R68-L70 VanDerWaalsContact C-N 3.34Å; R68-M71 PolarHBondContact O-N 3.42Å; R68-S72 WeakPolarHBondContact O-CB 3.42Å; R68-S72 PolarHBondContact O-N 2.84Å; R68-S72 PolarHBondContact O-OG 3.17Å
69L81.8Confident76.1Confident44 Ų4456.5 Ų56.523%0.2329%0.285CS..Hα-helixtrans-65.3-38.8175.8179.667.3000111.9P3 N65 N66 S72 S73 T360P3-L69 HydrophobicContact CB-CD2 3.45Å; P3-L69 VanDerWaalsContact CB-CD2 3.45Å; P3-L69 HydrophobicContact CG-CD2 4.25Å; N65-L69 WeakPolarHBondContact O-CB 3.49Å; N65-L69 PolarHBondContact O-N 3.02Å; N66-L69 PolarHBondContact O-N 2.83Å; L69-S72 PolarHBondContact O-OG 3.46Å; L69-S72 VanDerWaalsContact O-OG 3.09Å; L69-S73 WeakPolarHBondContact O-CB 3.45Å; L69-S73 PolarHBondContact O-N 3.49Å; L69-S73 PolarHBondContact O-OG 3.46Å; L69-T360 HydrophobicContact CD1-CG2 3.89Å
70L81.8Confident74.5Confident1 Ų162.2 Ų62.21%0.00531%0.309CS..Hα-helixtrans-62-57.8172-72.7160.3000109.6L7 V28 I31 L32 N66 A67 R68 S72 S73 V74L7-L70 HydrophobicContact CD1-CD2 3.77Å; L7-L70 HydrophobicContact CD1-CG 4.08Å; L7-L70 HydrophobicContact CD2-CD1 4.18Å; L7-L70 HydrophobicContact CD2-CD2 3.74Å; L7-L70 HydrophobicContact CD2-CG 4.32Å; L7-L70 HydrophobicContact CG-CD2 4.44Å; V28-L70 HydrophobicContact CB-CD2 4.17Å; V28-L70 HydrophobicContact CG1-CD2 3.87Å; V28-L70 HydrophobicContact CG2-CD2 3.78Å; I31-L70 HydrophobicContact CG2-CD1 3.51Å; I31-L70 HydrophobicContact CG2-CD2 3.98Å; I31-L70 HydrophobicContact CG2-CG 4.41Å; L32-L70 HydrophobicContact CD2-CB 3.85Å; L32-L70 HydrophobicContact CD2-CD1 4.21Å; L32-L70 HydrophobicContact CG-CB 4.28Å; L32-L70 HydrophobicContact CG-CD1 4.49Å; N66-L70 WeakPolarHBondContact O-CB 3.22Å; N66-L70 WeakPolarHBondContact O-CD1 3.32Å; N66-L70 VanDerWaalsContact O-CG 3.27Å; N66-L70 WeakPolarHBondContact O-CG 3.32Å; N66-L70 PolarHBondContact O-N 2.75Å; A67-L70 WeakPolarHBondContact O-CB 3.48Å; A67-L70 PolarHBondContact O-N 2.84Å; R68-L70 VanDerWaalsContact C-N 3.34Å; L70-S72 VanDerWaalsContact C-N 3.31Å; L70-S72 PolarHBondContact O-N 3.28Å; L70-S73 CarbonylContact O-C 3.14Å; L70-S73 WeakPolarHBondContact O-CA 3.24Å; L70-S73 WeakPolarHBondContact O-CB 3.3Å; L70-S73 PolarHBondContact O-N 2.99Å; L70-V74 WeakPolarHBondContact O-CB 3.28Å; L70-V74 VanDerWaalsContact O-CG2 3.29Å; L70-V74 WeakPolarHBondContact O-CG2 3.3Å; L70-V74 PolarHBondContact O-N 3.21Å
71M79.9Confident72.8Confident19 Ų1966.4 Ų66.49%0.09432%0.321CS..Hα-helixtrans-60.1-36.4-178.8-72-52.1-52.300113L32 A67 R68 V74 E75L32-M71 HydrophobicContact CD1-SD 3.93Å; L32-M71 HydrophobicContact CD2-CG 4.13Å; L32-M71 HydrophobicContact CD2-SD 3.75Å; A67-M71 WeakPolarHBondContact O-CB 3.42Å; A67-M71 WeakPolarHBondContact O-CG 3.42Å; A67-M71 PolarHBondContact O-N 3.18Å; R68-M71 PolarHBondContact O-N 3.42Å; M71-V74 HydrophobicContact CE-CG1 4.02Å; M71-V74 WeakPolarHBondContact O-CB 3.37Å; M71-V74 PolarHBondContact O-N 2.84Å; M71-E75 HydrophobicContact CE-CG 3.98Å; M71-E75 VanDerWaalsContact CE-OE1 3.22Å; M71-E75 WeakPolarHBondContact CE-OE1 3.31Å; M71-E75 WeakPolarHBondContact O-CB 3.44Å; M71-E75 VanDerWaalsContact O-CG 3.32Å; M71-E75 WeakPolarHBondContact O-CG 3.48Å; M71-E75 PolarHBondContact O-N 3.04Å
72S77.3Confident71.2Confident57 Ų5759.7 Ų59.740%0.39929%0.293SS..Hα-helixtrans-67.7-38.5173.468.90000112.4R68 L69 L70 V74 S76R68-S72 WeakPolarHBondContact O-CB 3.42Å; R68-S72 PolarHBondContact O-N 2.84Å; R68-S72 PolarHBondContact O-OG 3.17Å; L69-S72 PolarHBondContact O-OG 3.46Å; L69-S72 VanDerWaalsContact O-OG 3.09Å; L70-S72 VanDerWaalsContact C-N 3.31Å; L70-S72 PolarHBondContact O-N 3.28Å; S72-V74 PolarHBondContact O-N 2.91Å; S72-S76 VanDerWaalsContact O-CB 3.24Å; S72-S76 WeakPolarHBondContact O-CB 3.43Å; S72-S76 PolarHBondContact O-N 3.3Å; S72-S76 VanDerWaalsContact O-N 3.1Å; S72-S76 PolarHBondContact O-OG 3.43Å
73S75.9Confident70.1Confident0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-64.9-29.5173.9-570000112.3L69 L70 M77 T360L69-S73 WeakPolarHBondContact O-CB 3.45Å; L69-S73 PolarHBondContact O-N 3.49Å; L69-S73 PolarHBondContact O-OG 3.46Å; L70-S73 CarbonylContact O-C 3.14Å; L70-S73 WeakPolarHBondContact O-CA 3.24Å; L70-S73 WeakPolarHBondContact O-CB 3.3Å; L70-S73 PolarHBondContact O-N 2.99Å; S73-M77 VanDerWaalsContact O-CE 3.3Å; S73-M77 WeakPolarHBondContact O-CE 3.3Å; S73-T360 WeakPolarHBondContact OG-CB 3.37Å; S73-T360 WeakPolarHBondContact OG-CG2 3.48Å; S73-T360 PolarHBondContact OG-OG1 3.09Å
74V70.4Confident69Low12 Ų1260.6 Ų60.67%0.07330%0.296CS..Hα-helixtrans-78.1-52.1178159.40000111.9V28 L32 L70 M71 S72 M77 W86V28-V74 HydrophobicContact CG1-CG2 3.73Å; L32-V74 HydrophobicContact CD1-CG2 3.95Å; L70-V74 WeakPolarHBondContact O-CB 3.28Å; L70-V74 VanDerWaalsContact O-CG2 3.29Å; L70-V74 WeakPolarHBondContact O-CG2 3.3Å; L70-V74 PolarHBondContact O-N 3.21Å; M71-V74 HydrophobicContact CE-CG1 4.02Å; M71-V74 WeakPolarHBondContact O-CB 3.37Å; M71-V74 PolarHBondContact O-N 2.84Å; S72-V74 PolarHBondContact O-N 2.91Å; V74-M77 PolarHBondContact O-N 2.88Å; V74-W86 HydrophobicContact CB-CE3 4.25Å; V74-W86 HydrophobicContact CB-CH2 4.45Å; V74-W86 HydrophobicContact CB-CZ3 3.7Å; V74-W86 HydrophobicContact CG1-CE3 3.75Å; V74-W86 HydrophobicContact CG1-CZ3 3.42Å; V74-W86 VanDerWaalsContact CG1-CZ3 3.42Å; V74-W86 HydrophobicContact CG2-CE3 4.19Å; V74-W86 HydrophobicContact CG2-CH2 3.54Å; V74-W86 HydrophobicContact CG2-CZ3 3.22Å
75E69.4Low68.1Low104 Ų10460 Ų6049%0.48630%0.295SS..Hα-helixtrans-72.7-31.3-173.3-70.6172.9173.300111.2M71 M77 N78 S113M71-E75 HydrophobicContact CE-CG 3.98Å; M71-E75 VanDerWaalsContact CE-OE1 3.22Å; M71-E75 WeakPolarHBondContact CE-OE1 3.31Å; M71-E75 WeakPolarHBondContact O-CB 3.44Å; M71-E75 VanDerWaalsContact O-CG 3.32Å; M71-E75 WeakPolarHBondContact O-CG 3.48Å; M71-E75 PolarHBondContact O-N 3.04Å; E75-M77 PolarHBondContact O-N 2.72Å; E75-N78 PolarHBondContact O-N 3.22Å; E75-S113 PolarHBondContact OE1-OG 2.85Å
76S62.9Low67.5Low75 Ų7556 Ų5652%0.52427%0.273SS..THydrogen-bonded Turntrans-66-6174.4760000114.8S72S72-S76 VanDerWaalsContact O-CB 3.24Å; S72-S76 WeakPolarHBondContact O-CB 3.43Å; S72-S76 PolarHBondContact O-N 3.3Å; S72-S76 VanDerWaalsContact O-N 3.1Å; S72-S76 PolarHBondContact O-OG 3.43Å
77M61.9Low66.9Low2 Ų258 Ų581%0.0128%0.282CS..THydrogen-bonded Turntrans-93.2-17177.5-68.8-170.4-82.800114.2S73 V74 E75 D79 I84 W86 M222 L364S73-M77 VanDerWaalsContact O-CE 3.3Å; S73-M77 WeakPolarHBondContact O-CE 3.3Å; V74-M77 PolarHBondContact O-N 2.88Å; E75-M77 PolarHBondContact O-N 2.72Å; M77-D79 PolarHBondContact O-N 3.33Å; M77-I84 HydrophobicContact CB-CG2 4.46Å; M77-W86 HydrophobicContact CB-CB 4.08Å; M77-W86 HydrophobicContact CE-CD2 3.32Å; M77-W86 HydrophobicContact CE-CE3 3.63Å; M77-W86 HydrophobicContact CE-CG 3.8Å; M77-W86 HydrophobicContact CE-CH2 3.96Å; M77-W86 HydrophobicContact CE-CZ2 3.67Å; M77-W86 HydrophobicContact CE-CZ3 3.97Å; M77-W86 HydrophobicContact SD-CD2 4.26Å; M77-W86 HydrophobicContact SD-CG 4.13Å; M77-M222 HydrophobicContact CG-CE 3.78Å; M77-M222 HydrophobicContact CG-SD 3.82Å; M77-M222 HydrophobicContact SD-CE 3.62Å; M77-M222 HydrophobicContact SD-SD 3.48Å; M77-L364 HydrophobicContact CE-CD1 3.89Å; M77-L364 HydrophobicContact CE-CD2 3.69Å; M77-L364 HydrophobicContact CE-CG 4.42Å; M77-L364 HydrophobicContact SD-CD1 3.5Å; M77-L364 WeakPolarHBondContact SD-CD1 3.38Å; M77-L364 HydrophobicContact SD-CD2 4.42Å
78N58.3Low66.3Low88 Ų8859.6 Ų59.647%0.47129%0.291SS..  trans-94.368.6-179.3-82.6-41.1000111.4E75 W86E75-N78 PolarHBondContact O-N 3.22Å; N78-W86 PolarHBondContact ND2-O 3.28Å; N78-W86 PolarHBondContact OD1-N 2.97Å; N78-W86 PolarHBondContact OD1-O 3.19Å; N78-W86 VanDerWaalsContact OD1-O 3.12Å
79D55Low65.9Low77 Ų7754.1 Ų54.141%0.41227%0.271SS..  trans-110.3120.5166.5178.28.1000110M77 Y81 A82M77-D79 PolarHBondContact O-N 3.33Å; D79-Y81 PolarHBondContact O-N 2.84Å; D79-Y81 WeakPolarHBondContact OD1-CB 3.47Å; D79-Y81 WeakPolarHBondContact OD1-CD2 3.38Å; D79-Y81 PolarHBondContact OD1-N 3.2Å; D79-A82 HydrophobicContact CB-CB 3.85Å; D79-A82 PolarHBondContact O-N 3.28Å
80E48.7Very low66Low191 Ų19153 Ų5389%0.89327%0.265SS*.THydrogen-bonded Turntrans-61-26.6179.1-164.7169.2-139.300112.3
81Y45Very low66.4Low202 Ų20253.8 Ų53.879%0.79227%0.268SS*.THydrogen-bonded Turntrans-77.5-29.1173.1-69.4-89.4000113.3D79 K83D79-Y81 PolarHBondContact O-N 2.84Å; D79-Y81 WeakPolarHBondContact OD1-CB 3.47Å; D79-Y81 WeakPolarHBondContact OD1-CD2 3.38Å; D79-Y81 PolarHBondContact OD1-N 3.2Å; Y81-K83 VanDerWaalsContact C-N 3.27Å; Y81-K83 PolarHBondContact O-N 3.14Å
82A49Very low66.9Low6 Ų652.9 Ų52.95%0.0526%0.263CS..THydrogen-bonded Turntrans-77.4-8.5-174.500000114D79 I84 T219 T220D79-A82 HydrophobicContact CB-CB 3.85Å; D79-A82 PolarHBondContact O-N 3.28Å; A82-I84 PolarHBondContact O-N 2.86Å; A82-T219 WeakPolarHBondContact CA-OG1 3.48Å; A82-T219 PolarHBondContact O-OG1 2.97Å; A82-T220 HydrophobicContact CB-CG2 4.4Å
83K59.9Low67.6Low107 Ų10750.2 Ų50.247%0.46525%0.245SC..THydrogen-bonded Turntrans57.917-178.7-56.5175.2-177.7173.50114.5Y81 V326Y81-K83 VanDerWaalsContact C-N 3.27Å; Y81-K83 PolarHBondContact O-N 3.14Å; K83-V326 HydrophobicContact CD-CG1 3.99Å; K83-V326 HydrophobicContact CD-CG2 4.03Å
84I60.9Low68.5Low3 Ų350.2 Ų50.22%0.01525%0.245CC..  trans-101.2135170.2-61.2-168.6000107M77 A82 F164 K165 T220 M222M77-I84 HydrophobicContact CB-CG2 4.46Å; A82-I84 PolarHBondContact O-N 2.86Å; I84-F164 HydrophobicContact CG2-CD2 4.4Å; I84-F164 HydrophobicContact CG2-CE2 3.89Å; I84-K165 CarbonylContact C-O 3.56Å; I84-K165 VanDerWaalsContact CA-O 3.25Å; I84-K165 WeakPolarHBondContact CA-O 3.23Å; I84-K165 WeakPolarHBondContact CG2-O 3.38Å; I84-T220 HydrophobicContact CD1-CG2 3.83Å; I84-T220 VanDerWaalsContact CD1-OG1 3.31Å; I84-T220 WeakPolarHBondContact CD1-OG1 3.32Å; I84-M222 HydrophobicContact CD1-CE 3.41Å; I84-M222 VanDerWaalsContact CD1-CE 3.41Å; I84-M222 HydrophobicContact CG2-CE 3.95Å
85I64.6Low69.5Low57 Ų5749.9 Ų49.929%0.29224%0.243SC..EExtended strand (participates in β ladder)trans-124.8122.5178.6-57.5179.8000106.8Y163 K165I85-Y163 HydrophobicContact CG2-CE1 4.23Å; I85-K165 HydrophobicContact CB-CB 4.38Å; I85-K165 HydrophobicContact CD1-CD 4.3Å; I85-K165 PolarHBondContact N-O 2.89Å; I85-K165 PolarHBondContact O-N 3.12Å
86W69.7Low70.5Confident3 Ų348 Ų481%0.01124%0.241CC..EExtended strand (participates in β ladder)trans-127120-179.7-147.660.2000112V28 V74 M77 N78 V88 I162 F164 L364 F365V28-W86 HydrophobicContact CG1-CH2 4.01Å; V74-W86 HydrophobicContact CB-CE3 4.25Å; V74-W86 HydrophobicContact CB-CH2 4.45Å; V74-W86 HydrophobicContact CB-CZ3 3.7Å; V74-W86 HydrophobicContact CG1-CE3 3.75Å; V74-W86 HydrophobicContact CG1-CZ3 3.42Å; V74-W86 VanDerWaalsContact CG1-CZ3 3.42Å; V74-W86 HydrophobicContact CG2-CE3 4.19Å; V74-W86 HydrophobicContact CG2-CH2 3.54Å; V74-W86 HydrophobicContact CG2-CZ3 3.22Å; M77-W86 HydrophobicContact CB-CB 4.08Å; M77-W86 HydrophobicContact CE-CD2 3.32Å; M77-W86 HydrophobicContact CE-CE3 3.63Å; M77-W86 HydrophobicContact CE-CG 3.8Å; M77-W86 HydrophobicContact CE-CH2 3.96Å; M77-W86 HydrophobicContact CE-CZ2 3.67Å; M77-W86 HydrophobicContact CE-CZ3 3.97Å; M77-W86 HydrophobicContact SD-CD2 4.26Å; M77-W86 HydrophobicContact SD-CG 4.13Å; N78-W86 PolarHBondContact ND2-O 3.28Å; N78-W86 PolarHBondContact OD1-N 2.97Å; N78-W86 PolarHBondContact OD1-O 3.19Å; N78-W86 VanDerWaalsContact OD1-O 3.12Å; W86-V88 HydrophobicContact CD2-CG2 4.37Å; W86-V88 HydrophobicContact CE3-CB 4.33Å; W86-V88 HydrophobicContact CE3-CG2 3.79Å; W86-V88 HydrophobicContact CH2-CB 4.48Å; W86-V88 HydrophobicContact CH2-CG2 3.33Å; W86-V88 HydrophobicContact CZ2-CG2 3.96Å; W86-V88 HydrophobicContact CZ3-CB 3.9Å; W86-V88 HydrophobicContact CZ3-CG2 3.18Å; W86-I162 HydrophobicContact CH2-CD1 3.97Å; W86-I162 HydrophobicContact CZ2-CD1 3.3Å; W86-I162 HydrophobicContact CZ2-CG1 4.36Å; W86-F164 AromaticContact CD1-CD2 3.5Å; W86-F164 AromaticContact NE1-CD2 3.81Å; W86-L364 HydrophobicContact CZ2-CD2 4.35Å; W86-F365 AromaticContact NE1-CE2 3.71Å
87H68.5Low71.7Confident54 Ų5449 Ų4925%0.2524%0.24CC..EExtended strand (participates in β ladder)trans-126.8100179-64.4-13.3000109.5K138 N140 I162 Y163H87-K138 WeakPolarHBondContact CB-O 3.34Å; H87-K138 PolarHBondContact CD2-O 2.78Å; H87-N140 PolarHBondContact CD2-ND2 3.26Å; H87-N140 PolarHBondContact NE2-ND2 3.29Å; H87-I162 WeakPolarHBondContact O-CA 3.44Å; H87-Y163 HydrophobicContact CB-CD1 4.41Å; H87-Y163 PolarHBondContact N-O 3.22Å; H87-Y163 PolarHBondContact O-N 3.3Å
88V70.1Confident73Confident34 Ų3449.8 Ų49.821%0.20624%0.244CC..EExtended strand (participates in β ladder)trans-88.7131161.6158.80000109W86 N90 I162W86-V88 HydrophobicContact CD2-CG2 4.37Å; W86-V88 HydrophobicContact CE3-CB 4.33Å; W86-V88 HydrophobicContact CE3-CG2 3.79Å; W86-V88 HydrophobicContact CH2-CB 4.48Å; W86-V88 HydrophobicContact CH2-CG2 3.33Å; W86-V88 HydrophobicContact CZ2-CG2 3.96Å; W86-V88 HydrophobicContact CZ3-CB 3.9Å; W86-V88 HydrophobicContact CZ3-CG2 3.18Å; V88-N90 HydrophobicContact CG1-CB 4.13Å; V88-N90 WeakPolarHBondContact CG1-ND2 2.86Å; V88-N90 WeakPolarHBondContact CG1-OD1 3.03Å; V88-I162 HydrophobicContact CG2-CB 4.19Å; V88-I162 HydrophobicContact CG2-CD1 3.73Å; V88-I162 HydrophobicContact CG2-CG1 3.73Å
89A73.6Confident74.4Confident1 Ų151.7 Ų51.71%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-118.775.3178.600000108.2W134 K138 A161A89-W134 HydrophobicContact CB-CE3 4.48Å; A89-W134 HydrophobicContact CB-CH2 3.84Å; A89-W134 HydrophobicContact CB-CZ3 3.66Å; A89-K138 HydrophobicContact CB-CB 3.61Å; A89-K138 HydrophobicContact CB-CG 4.09Å; A89-A161 HydrophobicContact CB-CB 4.18Å; A89-A161 WeakPolarHBondContact CB-O 3.04Å; A89-A161 PolarHBondContact N-O 2.65Å; A89-A161 PolarHBondContact O-N 3.21Å; A89-A161 VanDerWaalsContact O-N 3.11Å
90N83.7Confident76.2Confident19 Ų1949.7 Ų49.710%0.10224%0.243CC..EExtended strand (participates in β ladder)trans-93.5123.8171.6-70.6-9.8000109.3S29 L32 A33 M36 V88 S114 N160S29-N90 PolarHBondContact O-ND2 2.66Å; S29-N90 PolarHBondContact OG-OD1 3.27Å; L32-N90 VanDerWaalsContact CB-ND2 3.33Å; L32-N90 WeakPolarHBondContact CB-ND2 3.42Å; A33-N90 HydrophobicContact CB-CB 4.44Å; M36-N90 HydrophobicContact CE-CB 4.37Å; V88-N90 HydrophobicContact CG1-CB 4.13Å; V88-N90 WeakPolarHBondContact CG1-ND2 2.86Å; V88-N90 WeakPolarHBondContact CG1-OD1 3.03Å; N90-S114 PolarHBondContact O-OG 3.28Å; N90-N160 PolarHBondContact OD1-ND2 3.38Å; N90-N160 PolarHBondContact OD1-OD1 3.31Å
91R89.2Confident78.4Confident19 Ų1942 Ų427%0.07221%0.207CC..EExtended strand (participates in β ladder)trans-147.5146.4170.4177.3160.9-79.5-166.2-4.6110.4Y93 E115 E117 W134 V159R91-Y93 HydrophobicContact CB-CE2 4.02Å; R91-Y93 VanDerWaalsContact CD-CZ 3.41Å; R91-Y93 VanDerWaalsContact CD-OH 3.25Å; R91-Y93 WeakPolarHBondContact CD-OH 3.48Å; R91-Y93 HydrophobicContact CG-CD2 3.98Å; R91-Y93 HydrophobicContact CG-CE2 3.54Å; R91-E115 IonicContact CZ-OE2 3.23Å; R91-E115 IonicContact NH2-OE2 3.93Å; R91-E115 PolarHBondContact NH2-OE2 3.07Å; R91-E117 VanDerWaalsContact CD-OE2 3.31Å; R91-E117 WeakPolarHBondContact CD-OE2 3.31Å; R91-E117 HydrophobicContact CG-CB 4.41Å; R91-E117 IonicContact CZ-OE2 2.82Å; R91-E117 IonicContact NE-OE2 2.57Å; R91-E117 IonicContact NH1-OE1 2.64Å; R91-E117 PolarHBondContact NH1-OE1 3.41Å; R91-E117 VanDerWaalsContact NH1-OE1 3.1Å; R91-E117 IonicContact NH1-OE2 3.1Å; R91-E117 PolarHBondContact NH1-OE2 2.9Å; R91-W134 HydrophobicContact CB-CE3 4.4Å; R91-W134 HydrophobicContact CB-CH2 3.45Å; R91-W134 VanDerWaalsContact CB-CH2 3.45Å; R91-W134 HydrophobicContact CB-CZ2 3.84Å; R91-W134 HydrophobicContact CB-CZ3 3.75Å; R91-V159 PolarHBondContact N-O 3.25Å; R91-V159 VanDerWaalsContact N-O 3.11Å; R91-V159 PolarHBondContact O-N 2.87Å; R91-V159 VanDerWaalsContact O-N 3.13Å
92L91Very high80.7Confident0 Ų038.7 Ų38.70%020%0.204CC..EExtended strand (participates in β ladder)trans-105.5127.5172.9-15178.3000108.2M36 V37 Y104 V116 E117 L156 I158 I297M36-L92 HydrophobicContact CB-CD1 4.49Å; M36-L92 HydrophobicContact CE-CB 4.04Å; M36-L92 HydrophobicContact CE-CD1 4.04Å; M36-L92 HydrophobicContact SD-CB 4.38Å; V37-L92 HydrophobicContact CG2-CD1 3.67Å; V37-L92 HydrophobicContact CG2-CD2 4.49Å; L92-Y104 VanDerWaalsContact CD2-OH 3.3Å; L92-Y104 WeakPolarHBondContact CD2-OH 3.37Å; L92-V116 HydrophobicContact CB-CG1 4.32Å; L92-V116 HydrophobicContact CB-CG2 4.2Å; L92-V116 HydrophobicContact CD2-CG2 4.47Å; L92-V116 WeakPolarHBondContact O-CA 3.47Å; L92-E117 PolarHBondContact O-N 2.62Å; L92-L156 HydrophobicContact CD1-CD2 4.01Å; L92-L156 HydrophobicContact CD2-CD1 4Å; L92-L156 HydrophobicContact CD2-CD2 4.23Å; L92-L156 HydrophobicContact CD2-CG 4.34Å; L92-L156 HydrophobicContact CG-CD1 4.43Å; L92-L156 HydrophobicContact CG-CD2 4.16Å; L92-L156 HydrophobicContact CG-CG 4.26Å; L92-I158 HydrophobicContact CD1-CB 4.25Å; L92-I158 HydrophobicContact CD1-CG1 3.87Å; L92-I158 HydrophobicContact CD1-CG2 4.12Å; L92-I297 HydrophobicContact CD2-CD1 4.44Å
93Y92.8Very high82.7Confident1 Ų142.1 Ų42.10%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-108126.9175.4-73-87.9000109.9R91 E117 M119 I131 L156 V157 V159R91-Y93 HydrophobicContact CB-CE2 4.02Å; R91-Y93 VanDerWaalsContact CD-CZ 3.41Å; R91-Y93 VanDerWaalsContact CD-OH 3.25Å; R91-Y93 WeakPolarHBondContact CD-OH 3.48Å; R91-Y93 HydrophobicContact CG-CD2 3.98Å; R91-Y93 HydrophobicContact CG-CE2 3.54Å; Y93-E117 VanDerWaalsContact CA-O 3.3Å; Y93-E117 WeakPolarHBondContact CA-O 3.29Å; Y93-E117 HydrophobicContact CD1-CB 3.94Å; Y93-E117 HydrophobicContact CD1-CG 4.14Å; Y93-E117 HydrophobicContact CE1-CB 3.86Å; Y93-E117 HydrophobicContact CE1-CG 3.81Å; Y93-E117 WeakPolarHBondContact CE1-OE2 3.44Å; Y93-E117 VanDerWaalsContact CZ-OE2 3.23Å; Y93-E117 PolarHBondContact OH-OE2 3.31Å; Y93-M119 HydrophobicContact CD1-CB 3.99Å; Y93-M119 HydrophobicContact CD1-CE 3.64Å; Y93-M119 HydrophobicContact CD1-CG 4.46Å; Y93-M119 HydrophobicContact CD1-SD 3.64Å; Y93-M119 HydrophobicContact CE1-CE 3.41Å; Y93-M119 VanDerWaalsContact CE1-CE 3.41Å; Y93-M119 HydrophobicContact CE1-SD 3.95Å; Y93-M119 HydrophobicContact CG-SD 4.37Å; Y93-I131 HydrophobicContact CD1-CG1 4.36Å; Y93-I131 HydrophobicContact CD2-CD1 4.43Å; Y93-I131 HydrophobicContact CD2-CG1 4.11Å; Y93-I131 HydrophobicContact CE1-CG1 4.08Å; Y93-I131 HydrophobicContact CE2-CG1 3.85Å; Y93-I131 HydrophobicContact CE2-CG2 4.29Å; Y93-I131 HydrophobicContact CG-CG1 4.36Å; Y93-L156 CarbonylContact O-C 3.6Å; Y93-L156 VanDerWaalsContact O-CA 3.3Å; Y93-L156 WeakPolarHBondContact O-CA 3.49Å; Y93-V157 PolarHBondContact N-O 3.26Å; Y93-V157 PolarHBondContact O-N 3.23Å; Y93-V159 HydrophobicContact CD2-CG2 3.4Å; Y93-V159 HydrophobicContact CE2-CG2 3.45Å; Y93-V159 VanDerWaalsContact CE2-CG2 3.45Å
94V93.5Very high84.3Confident0 Ų037.3 Ų37.30%021%0.206CC..EExtended strand (participates in β ladder)trans-118.4140.5-176-175.70000109.5S96 L100 V116 E117 E118 M119 L156 L303V94-S96 PolarHBondContact O-N 3.23Å; V94-L100 HydrophobicContact CB-CD2 4.3Å; V94-L100 HydrophobicContact CG1-CD2 4.09Å; V94-L100 HydrophobicContact CG2-CD2 4.09Å; V94-V116 HydrophobicContact CG2-CG1 3.54Å; V94-E117 PolarHBondContact N-O 2.97Å; V94-E118 CarbonylContact O-C 3.34Å; V94-E118 WeakPolarHBondContact O-CA 3.26Å; V94-M119 PolarHBondContact O-N 3.36Å; V94-L156 HydrophobicContact CG2-CD1 3.79Å; V94-L303 HydrophobicContact CG1-CD1 4.24Å
95A92.7Very high85.8Confident4 Ų439.3 Ų39.33%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-61.3132.7177.700000111N97 Y98 M119 F121 R155A95-N97 WeakPolarHBondContact CB-OD1 3.42Å; A95-N97 PolarHBondContact O-N 3.38Å; A95-Y98 HydrophobicContact CB-CD2 4.01Å; A95-Y98 HydrophobicContact CB-CE2 4.21Å; A95-Y98 PolarHBondContact O-N 2.97Å; A95-Y98 VanDerWaalsContact O-N 3.16Å; A95-M119 WeakPolarHBondContact CA-O 3.33Å; A95-F121 HydrophobicContact CB-CD2 3.87Å; A95-F121 HydrophobicContact CB-CE2 4.07Å; A95-R155 PolarHBondContact N-O 3.31Å
96S89.3Confident87Confident65 Ų6540.8 Ų40.846%0.45523%0.23SC..THydrogen-bonded Turntrans-62.715.9-175.4-50.50000116.7V94 M119 N120V94-S96 PolarHBondContact O-N 3.23Å; S96-M119 PolarHBondContact N-O 3.48Å; S96-M119 PolarHBondContact OG-N 3.03Å; S96-M119 PolarHBondContact OG-O 3.38Å; S96-N120 PolarHBondContact OG-N 2.75Å
97N88.1Confident87.9Confident95 Ų9542.8 Ų42.851%0.50825%0.245SC..THydrogen-bonded Turntrans-116.212.6175.774.1-89.9000112.7A95A95-N97 WeakPolarHBondContact CB-OD1 3.42Å; A95-N97 PolarHBondContact O-N 3.38Å
98Y89.2Confident88.9Confident20 Ų2040.3 Ų40.38%0.07823%0.234CC..SBendtrans-121.7103177.6-69.5-92.7000110.3A95 L100 T298 L300 G302 L303A95-Y98 HydrophobicContact CB-CD2 4.01Å; A95-Y98 HydrophobicContact CB-CE2 4.21Å; A95-Y98 PolarHBondContact O-N 2.97Å; A95-Y98 VanDerWaalsContact O-N 3.16Å; Y98-L100 PolarHBondContact O-N 3.29Å; Y98-T298 HydrophobicContact CD1-CG2 3.94Å; Y98-L300 HydrophobicContact CD1-CB 3.75Å; Y98-L300 HydrophobicContact CE1-CB 4.11Å; Y98-G302 PolarHBondContact OH-O 2.68Å; Y98-L303 HydrophobicContact CD1-CB 4.16Å; Y98-L303 HydrophobicContact CD1-CD1 4.27Å; Y98-L303 HydrophobicContact CD2-CD1 4.34Å; Y98-L303 HydrophobicContact CE1-CB 3.97Å; Y98-L303 HydrophobicContact CE1-CD1 4.4Å; Y98-L303 HydrophobicContact CE2-CD1 4.47Å; Y98-L303 HydrophobicContact CG-CD1 4.24Å
99D89Confident89.8Confident127 Ų12744.6 Ų44.668%0.67925%0.25SC*.PPolyproline II helixtrans-61.1121.6177.9-59.7-52000110.7T298D99-T298 WeakPolarHBondContact O-CA 3.2Å; D99-T298 WeakPolarHBondContact O-CB 3.27Å; D99-T298 PolarHBondContact O-OG1 3.39Å
100L92.8Very high90.4Very high35 Ų3548.8 Ų48.818%0.18328%0.279CS..BIsolated β-bridgetrans-80.9142-177.4-63.5176.8000112.4V94 Y98 T105 V116 E118 I297V94-L100 HydrophobicContact CB-CD2 4.3Å; V94-L100 HydrophobicContact CG1-CD2 4.09Å; V94-L100 HydrophobicContact CG2-CD2 4.09Å; Y98-L100 PolarHBondContact O-N 3.29Å; L100-T105 HydrophobicContact CB-CG2 4.09Å; L100-T105 HydrophobicContact CD1-CG2 4.31Å; L100-V116 HydrophobicContact CD1-CB 4.31Å; L100-V116 HydrophobicContact CD1-CG1 3.71Å; L100-V116 HydrophobicContact CD2-CG1 4.29Å; L100-E118 HydrophobicContact CD1-CG 4.05Å; L100-I297 HydrophobicContact CD2-CG2 3.67Å
101L94Very high90.3Very high29 Ų2948.8 Ų48.815%0.15228%0.278CS..PPolyproline II helixtrans-80.1129.2176.3-56.3-174.2000112.1S103 Y104 T105 I297L101-S103 PolarHBondContact O-N 3.34Å; L101-Y104 WeakPolarHBondContact O-CB 3.19Å; L101-Y104 PolarHBondContact O-N 2.84Å; L101-T105 PolarHBondContact O-N 3.13Å; L101-T105 PolarHBondContact O-OG1 2.93Å; L101-I297 PolarHBondContact N-O 2.7Å
102D92.4Very high90Very high134 Ų13448.4 Ų48.472%0.71728%0.278SS*.Hα-helixtrans-54.6-35.6175.1-78.8-33.7000113.2Y104 T105 T106D102-Y104 VanDerWaalsContact C-N 3.34Å; D102-T105 PolarHBondContact O-OG1 3.4Å; D102-T106 WeakPolarHBondContact O-CB 3.37Å; D102-T106 PolarHBondContact O-N 3.11Å; D102-T106 PolarHBondContact O-OG1 3.48Å
103S91.7Very high89.6Confident78 Ų7852 Ų5255%0.54530%0.303SS..Hα-helixtrans-63.1-40.2176.349.60000112.1L101 S107L101-S103 PolarHBondContact O-N 3.34Å; S103-S107 WeakPolarHBondContact O-CB 3.33Å; S103-S107 PolarHBondContact O-N 3.22Å; S103-S107 PolarHBondContact O-OG 2.69Å
104Y93.4Very high89.1Confident5 Ų552.6 Ų52.62%0.0231%0.307CS..Hα-helixtrans-71.9-51.2179.1176.4-113.4000111.5M36 L39 L92 L101 D102 T106 S107 I108 V116 S296 I297M36-Y104 VanDerWaalsContact O-CE2 3.3Å; M36-Y104 WeakPolarHBondContact O-CE2 3.48Å; M36-Y104 PolarHBondContact O-OH 2.94Å; L39-Y104 HydrophobicContact CB-CD2 4.39Å; L39-Y104 HydrophobicContact CB-CE2 4.01Å; L92-Y104 VanDerWaalsContact CD2-OH 3.3Å; L92-Y104 WeakPolarHBondContact CD2-OH 3.37Å; L101-Y104 WeakPolarHBondContact O-CB 3.19Å; L101-Y104 PolarHBondContact O-N 2.84Å; D102-Y104 VanDerWaalsContact C-N 3.34Å; Y104-T106 VanDerWaalsContact C-N 3.26Å; Y104-T106 PolarHBondContact O-N 2.87Å; Y104-S107 WeakPolarHBondContact O-CB 3.36Å; Y104-S107 PolarHBondContact O-N 3.45Å; Y104-I108 HydrophobicContact CD1-CG1 4.46Å; Y104-I108 HydrophobicContact CD2-CG1 4.24Å; Y104-I108 HydrophobicContact CE1-CG1 4.1Å; Y104-I108 HydrophobicContact CE2-CD1 3.73Å; Y104-I108 HydrophobicContact CE2-CG1 3.84Å; Y104-I108 WeakPolarHBondContact O-CG1 3.39Å; Y104-I108 PolarHBondContact O-N 2.9Å; Y104-V116 HydrophobicContact CE1-CG2 3.84Å; Y104-S296 VanDerWaalsContact CB-O 3.3Å; Y104-S296 WeakPolarHBondContact CB-O 3.2Å; Y104-I297 HydrophobicContact CD1-CB 4.21Å; Y104-I297 HydrophobicContact CD1-CG1 4.27Å; Y104-I297 HydrophobicContact CD1-CG2 3.91Å; Y104-I297 HydrophobicContact CD2-CG1 4.41Å; Y104-I297 HydrophobicContact CE1-CB 4.13Å; Y104-I297 HydrophobicContact CE1-CD1 4.22Å; Y104-I297 HydrophobicContact CE1-CG1 3.85Å; Y104-I297 HydrophobicContact CE1-CG2 3.69Å; Y104-I297 HydrophobicContact CE2-CG1 4.03Å
105T91.8Very high88.7Confident45 Ų4556.5 Ų56.528%0.27633%0.326SS..Hα-helixtrans-61.2-36.9178.7600000111.6L100 L101 D102 K109L100-T105 HydrophobicContact CB-CG2 4.09Å; L100-T105 HydrophobicContact CD1-CG2 4.31Å; L101-T105 PolarHBondContact O-N 3.13Å; L101-T105 PolarHBondContact O-OG1 2.93Å; D102-T105 PolarHBondContact O-OG1 3.4Å; T105-K109 VanDerWaalsContact O-CB 3.28Å; T105-K109 WeakPolarHBondContact O-CB 3.06Å; T105-K109 PolarHBondContact O-N 2.88Å
106T91.2Very high88.6Confident88 Ų8857.6 Ų57.654%0.5433%0.332SS..Hα-helixtrans-63.2-42.7171.5-60.60000112.2D102 Y104 K109 S110D102-T106 WeakPolarHBondContact O-CB 3.37Å; D102-T106 PolarHBondContact O-N 3.11Å; D102-T106 PolarHBondContact O-OG1 3.48Å; Y104-T106 VanDerWaalsContact C-N 3.26Å; Y104-T106 PolarHBondContact O-N 2.87Å; T106-K109 PolarHBondContact O-N 2.83Å; T106-S110 VanDerWaalsContact O-CB 3.31Å; T106-S110 WeakPolarHBondContact O-CB 3.3Å; T106-S110 PolarHBondContact O-N 2.91Å; T106-S110 PolarHBondContact O-OG 3.23Å
107S88.3Confident88.6Confident46 Ų4657.8 Ų57.832%0.32233%0.325SS..Hα-helixtrans-64.9-46.4178.3-60.20000111.9S103 Y104 K109 S110 L111S103-S107 WeakPolarHBondContact O-CB 3.33Å; S103-S107 PolarHBondContact O-N 3.22Å; S103-S107 PolarHBondContact O-OG 2.69Å; Y104-S107 WeakPolarHBondContact O-CB 3.36Å; Y104-S107 PolarHBondContact O-N 3.45Å; S107-K109 VanDerWaalsContact C-N 3.31Å; S107-K109 PolarHBondContact O-N 2.94Å; S107-S110 PolarHBondContact O-N 3.31Å; S107-S110 PolarHBondContact O-OG 3.4Å; S107-L111 VanDerWaalsContact O-CB 3.22Å; S107-L111 WeakPolarHBondContact O-CB 3.37Å; S107-L111 PolarHBondContact O-N 3.27Å
108I89.6Confident88.8Confident1 Ų158.3 Ų58.31%0.00533%0.325CS..Hα-helixtrans-56.9-46.2175.3-63-64.6000111.1M36 L39 Y104 L112 V116M36-I108 VanDerWaalsContact CA-CD1 3.46Å; M36-I108 HydrophobicContact CB-CD1 3.6Å; M36-I108 HydrophobicContact CG-CD1 3.87Å; M36-I108 HydrophobicContact SD-CG2 4.36Å; L39-I108 HydrophobicContact CB-CD1 4.46Å; L39-I108 HydrophobicContact CD1-CD1 4.01Å; Y104-I108 HydrophobicContact CD1-CG1 4.46Å; Y104-I108 HydrophobicContact CD2-CG1 4.24Å; Y104-I108 HydrophobicContact CE1-CG1 4.1Å; Y104-I108 HydrophobicContact CE2-CD1 3.73Å; Y104-I108 HydrophobicContact CE2-CG1 3.84Å; Y104-I108 WeakPolarHBondContact O-CG1 3.39Å; Y104-I108 PolarHBondContact O-N 2.9Å; I108-L112 HydrophobicContact CD1-CD1 4.24Å; I108-L112 PolarHBondContact O-N 3.02Å; I108-L112 VanDerWaalsContact O-N 3.16Å; I108-V116 HydrophobicContact CG1-CG2 4.12Å; I108-V116 HydrophobicContact CG2-CG2 4.25Å
109K88.6Confident88.9Confident125 Ų12557.7 Ų57.754%0.54332%0.323SS..Hα-helixtrans-75.8-27.9-173.8-159.7161.8-162.5156.60113.8T105 T106 S107 S114 E115T105-K109 VanDerWaalsContact O-CB 3.28Å; T105-K109 WeakPolarHBondContact O-CB 3.06Å; T105-K109 PolarHBondContact O-N 2.88Å; T106-K109 PolarHBondContact O-N 2.83Å; S107-K109 VanDerWaalsContact C-N 3.31Å; S107-K109 PolarHBondContact O-N 2.94Å; K109-S114 WeakPolarHBondContact CA-O 3.28Å; K109-E115 WeakPolarHBondContact CE-OE1 3.45Å; K109-E115 IonicContact NZ-OE1 2.72Å; K109-E115 PolarHBondContact NZ-OE1 3.36Å
110S85.1Confident89Confident89 Ų8955 Ų5562%0.62231%0.309SS*.Hα-helixtrans-93-27.3179.958.60000114.6T106 S107T106-S110 VanDerWaalsContact O-CB 3.31Å; T106-S110 WeakPolarHBondContact O-CB 3.3Å; T106-S110 PolarHBondContact O-N 2.91Å; T106-S110 PolarHBondContact O-OG 3.23Å; S107-S110 PolarHBondContact O-N 3.31Å; S107-S110 PolarHBondContact O-OG 3.4Å
111L83.5Confident88.9Confident18 Ų1853.7 Ų53.79%0.09430%0.301CS..Hα-helixtrans-103.4-25.7-174.8-153.482.9000114L39 F63 E64 A67 S107L39-L111 HydrophobicContact CD1-CD2 4.36Å; F63-L111 HydrophobicContact CD1-CD2 4.23Å; F63-L111 HydrophobicContact CE1-CD2 3.51Å; F63-L111 HydrophobicContact CZ-CD2 4.22Å; E64-L111 HydrophobicContact CB-CD1 4.36Å; E64-L111 HydrophobicContact CG-CD1 3.99Å; E64-L111 HydrophobicContact CG-CD2 4.45Å; A67-L111 HydrophobicContact CB-CD2 3.89Å; A67-L111 HydrophobicContact CB-CG 4.14Å; S107-L111 VanDerWaalsContact O-CB 3.22Å; S107-L111 WeakPolarHBondContact O-CB 3.37Å; S107-L111 PolarHBondContact O-N 3.27Å
112L82.9Confident88.6Confident11 Ų1157 Ų576%0.05832%0.323CS..SBendtrans-126.27-172.8-57.7173.2000113.6L32 M36 L39 A67 I108 S114L32-L112 HydrophobicContact CD2-CD2 3.72Å; M36-L112 HydrophobicContact CB-CD1 4.45Å; M36-L112 HydrophobicContact CG-CD1 3.72Å; L39-L112 HydrophobicContact CD1-CD1 3.96Å; A67-L112 HydrophobicContact CB-CD2 4.11Å; I108-L112 HydrophobicContact CD1-CD1 4.24Å; I108-L112 PolarHBondContact O-N 3.02Å; I108-L112 VanDerWaalsContact O-N 3.16Å; L112-S114 PolarHBondContact O-N 3.16Å
113S81.3Confident88.4Confident77 Ų7756.4 Ų56.454%0.53832%0.316SS..SBendtrans48.430.5-177.2-58.90000113.9E75E75-S113 PolarHBondContact OE1-OG 2.85Å
114S83.3Confident88.2Confident12 Ų1255.8 Ų55.88%0.08430%0.303CS..  trans-120.4178.7-170.2-170.10000112.3M36 N90 K109 L112M36-S114 PolarHBondContact SD-OG 3.1Å; N90-S114 PolarHBondContact O-OG 3.28Å; K109-S114 WeakPolarHBondContact CA-O 3.28Å; L112-S114 PolarHBondContact O-N 3.16Å
115E85.4Confident87.9Confident83 Ų8359.5 Ų59.539%0.38834%0.335SS..  trans-142.2147.1-178.7-64.1-177.2136.700110.9R91 K109R91-E115 IonicContact CZ-OE2 3.23Å; R91-E115 IonicContact NH2-OE2 3.93Å; R91-E115 PolarHBondContact NH2-OE2 3.07Å; K109-E115 WeakPolarHBondContact CE-OE1 3.45Å; K109-E115 IonicContact NZ-OE1 2.72Å; K109-E115 PolarHBondContact NZ-OE1 3.36Å
116V88.8Confident87.9Confident26 Ų2660.5 Ų60.516%0.15834%0.336CS..EExtended strand (participates in β ladder)trans-99.3139.3169.9-176.90000107.8L92 V94 L100 Y104 I108L92-V116 HydrophobicContact CB-CG1 4.32Å; L92-V116 HydrophobicContact CB-CG2 4.2Å; L92-V116 HydrophobicContact CD2-CG2 4.47Å; L92-V116 WeakPolarHBondContact O-CA 3.47Å; V94-V116 HydrophobicContact CG2-CG1 3.54Å; L100-V116 HydrophobicContact CD1-CB 4.31Å; L100-V116 HydrophobicContact CD1-CG1 3.71Å; L100-V116 HydrophobicContact CD2-CG1 4.29Å; Y104-V116 HydrophobicContact CE1-CG2 3.84Å; I108-V116 HydrophobicContact CG1-CG2 4.12Å; I108-V116 HydrophobicContact CG2-CG2 4.25Å
117E91Very high87.9Confident69 Ų6956.5 Ų56.532%0.32231%0.312SS..EExtended strand (participates in β ladder)trans-127.4127.8-177.1-175.1160.4-123.100110.5R91 L92 Y93 V94R91-E117 VanDerWaalsContact CD-OE2 3.31Å; R91-E117 WeakPolarHBondContact CD-OE2 3.31Å; R91-E117 HydrophobicContact CG-CB 4.41Å; R91-E117 IonicContact CZ-OE2 2.82Å; R91-E117 IonicContact NE-OE2 2.57Å; R91-E117 IonicContact NH1-OE1 2.64Å; R91-E117 PolarHBondContact NH1-OE1 3.41Å; R91-E117 VanDerWaalsContact NH1-OE1 3.1Å; R91-E117 IonicContact NH1-OE2 3.1Å; R91-E117 PolarHBondContact NH1-OE2 2.9Å; L92-E117 PolarHBondContact O-N 2.62Å; Y93-E117 VanDerWaalsContact CA-O 3.3Å; Y93-E117 WeakPolarHBondContact CA-O 3.29Å; Y93-E117 HydrophobicContact CD1-CB 3.94Å; Y93-E117 HydrophobicContact CD1-CG 4.14Å; Y93-E117 HydrophobicContact CE1-CB 3.86Å; Y93-E117 HydrophobicContact CE1-CG 3.81Å; Y93-E117 WeakPolarHBondContact CE1-OE2 3.44Å; Y93-E117 VanDerWaalsContact CZ-OE2 3.23Å; Y93-E117 PolarHBondContact OH-OE2 3.31Å; V94-E117 PolarHBondContact N-O 2.97Å
118E92.1Very high88Confident107 Ų10754.7 Ų54.750%0.530%0.299SS..EExtended strand (participates in β ladder)trans-76.4136.3174.6-72.2171.2-149.900110.5V94 L100V94-E118 CarbonylContact O-C 3.34Å; V94-E118 WeakPolarHBondContact O-CA 3.26Å; L100-E118 HydrophobicContact CD1-CG 4.05Å
119M91.4Very high88.1Confident7 Ų760.1 Ų60.13%0.03432%0.323CS..EExtended strand (participates in β ladder)trans-143.4135.5-173.3-175151.4-75.900112.9Y93 V94 A95 S96 F121 A127 Q130 I131Y93-M119 HydrophobicContact CD1-CB 3.99Å; Y93-M119 HydrophobicContact CD1-CE 3.64Å; Y93-M119 HydrophobicContact CD1-CG 4.46Å; Y93-M119 HydrophobicContact CD1-SD 3.64Å; Y93-M119 HydrophobicContact CE1-CE 3.41Å; Y93-M119 VanDerWaalsContact CE1-CE 3.41Å; Y93-M119 HydrophobicContact CE1-SD 3.95Å; Y93-M119 HydrophobicContact CG-SD 4.37Å; V94-M119 PolarHBondContact O-N 3.36Å; A95-M119 WeakPolarHBondContact CA-O 3.33Å; S96-M119 PolarHBondContact N-O 3.48Å; S96-M119 PolarHBondContact OG-N 3.03Å; S96-M119 PolarHBondContact OG-O 3.38Å; M119-F121 HydrophobicContact CB-CE1 4.08Å; M119-F121 HydrophobicContact CB-CZ 4.11Å; M119-F121 HydrophobicContact CG-CD1 4.08Å; M119-F121 HydrophobicContact CG-CE1 3.83Å; M119-F121 HydrophobicContact CG-CZ 4.37Å; M119-F121 PolarHBondContact O-N 2.87Å; M119-F121 HydrophobicContact SD-CE1 4.11Å; M119-A127 HydrophobicContact CG-CB 3.9Å; M119-A127 HydrophobicContact SD-CB 3.7Å; M119-Q130 HydrophobicContact CE-CB 3.93Å; M119-I131 HydrophobicContact CE-CG1 4.37Å; M119-I131 HydrophobicContact SD-CD1 3.82Å; M119-I131 HydrophobicContact SD-CG1 3.8Å
120N90.7Very high88.3Confident71 Ų7158.7 Ų58.738%0.3832%0.319SS..  trans-88.886.6179.5-175.43.6000111.2S96 T122 Q123S96-N120 PolarHBondContact OG-N 2.75Å; N120-T122 PolarHBondContact ND2-OG1 3.43Å; N120-T122 PolarHBondContact O-N 3.1Å; N120-T122 VanDerWaalsContact O-N 3.11Å; N120-T122 WeakPolarHBondContact OD1-CB 3.49Å; N120-T122 PolarHBondContact OD1-N 3.47Å; N120-T122 PolarHBondContact OD1-OG1 3.26Å; N120-Q123 PolarHBondContact O-N 3.39Å
121F89.9Confident88.6Confident6 Ų654.5 Ų54.53%0.02629%0.289CS..G310 helixtrans-63.1-13.1179.6-58.1-60000114.9A95 M119 Q123 K124 A127 L150 T154 V157A95-F121 HydrophobicContact CB-CD2 3.87Å; A95-F121 HydrophobicContact CB-CE2 4.07Å; M119-F121 HydrophobicContact CB-CE1 4.08Å; M119-F121 HydrophobicContact CB-CZ 4.11Å; M119-F121 HydrophobicContact CG-CD1 4.08Å; M119-F121 HydrophobicContact CG-CE1 3.83Å; M119-F121 HydrophobicContact CG-CZ 4.37Å; M119-F121 PolarHBondContact O-N 2.87Å; M119-F121 HydrophobicContact SD-CE1 4.11Å; F121-Q123 PolarHBondContact O-N 3.34Å; F121-K124 WeakPolarHBondContact O-CG 3.24Å; F121-K124 PolarHBondContact O-N 3.16Å; F121-A127 HydrophobicContact CD1-CB 4.23Å; F121-L150 HydrophobicContact CD1-CD1 3.83Å; F121-L150 HydrophobicContact CE1-CD1 4.04Å; F121-T154 HydrophobicContact CB-CG2 4.37Å; F121-T154 HydrophobicContact CD1-CG2 3.86Å; F121-T154 HydrophobicContact CD2-CG2 3.63Å; F121-T154 WeakPolarHBondContact CD2-O 3.38Å; F121-T154 HydrophobicContact CE1-CG2 3.97Å; F121-T154 HydrophobicContact CE2-CG2 3.74Å; F121-T154 HydrophobicContact CG-CG2 3.69Å; F121-T154 HydrophobicContact CZ-CG2 3.91Å; F121-V157 HydrophobicContact CE1-CG2 3.86Å; F121-V157 HydrophobicContact CZ-CB 4.43Å; F121-V157 HydrophobicContact CZ-CG2 3.73Å
122T87.3Confident88.9Confident98 Ų9854.6 Ų54.660%0.60129%0.289SS*.G310 helixtrans-63.6-22.5169.570.90000112.3N120 K124N120-T122 PolarHBondContact ND2-OG1 3.43Å; N120-T122 PolarHBondContact O-N 3.1Å; N120-T122 VanDerWaalsContact O-N 3.11Å; N120-T122 WeakPolarHBondContact OD1-CB 3.49Å; N120-T122 PolarHBondContact OD1-N 3.47Å; N120-T122 PolarHBondContact OD1-OG1 3.26Å; T122-K124 VanDerWaalsContact C-N 3.35Å; T122-K124 PolarHBondContact O-N 3.28Å
123Q89.4Confident89.3Confident123 Ų12357.4 Ų57.458%0.57531%0.31SS*.G310 helixtrans-97.948.1173.5-60.9-168.44.800111.9N120 F121 A125 E126 A127N120-Q123 PolarHBondContact O-N 3.39Å; F121-Q123 PolarHBondContact O-N 3.34Å; Q123-A125 VanDerWaalsContact C-N 3.34Å; Q123-A125 PolarHBondContact O-N 3.01Å; Q123-E126 HydrophobicContact CB-CB 4.47Å; Q123-E126 PolarHBondContact O-N 3.39Å; Q123-A127 PolarHBondContact O-N 3.15Å
124K88.2Confident89.7Confident64 Ų6455.7 Ų55.728%0.27829%0.292SS..Hα-helixtrans-23.3-63.3-178.6-54.8179.3176179.70115.1F121 T122 E126 A127 C128 L150 E152F121-K124 WeakPolarHBondContact O-CG 3.24Å; F121-K124 PolarHBondContact O-N 3.16Å; T122-K124 VanDerWaalsContact C-N 3.35Å; T122-K124 PolarHBondContact O-N 3.28Å; K124-E126 VanDerWaalsContact C-N 3.33Å; K124-E126 PolarHBondContact O-N 3.43Å; K124-A127 WeakPolarHBondContact O-CB 3.39Å; K124-A127 PolarHBondContact O-N 2.82Å; K124-C128 PolarHBondContact O-N 3.16Å; K124-C128 PolarHBondContact O-SG 3.41Å; K124-L150 WeakPolarHBondContact CD-O 3.3Å; K124-L150 VanDerWaalsContact CE-O 3.32Å; K124-L150 WeakPolarHBondContact CE-O 3.25Å; K124-L150 WeakPolarHBondContact CG-O 3.26Å; K124-E152 WeakPolarHBondContact CE-OE1 3.48Å; K124-E152 IonicContact NZ-OE1 3.1Å; K124-E152 PolarHBondContact NZ-OE1 2.9Å
125A86.1Confident89.9Confident83 Ų8355.1 Ų55.169%0.68629%0.288SS*.Hα-helixtrans-63.8-32.8-174.500000114Q123 K129Q123-A125 VanDerWaalsContact C-N 3.34Å; Q123-A125 PolarHBondContact O-N 3.01Å; A125-K129 WeakPolarHBondContact O-CB 3.36Å; A125-K129 PolarHBondContact O-N 3.14Å
126E91.2Very high89.8Confident66 Ų6652.7 Ų52.731%0.30828%0.28SS..Hα-helixtrans-79.8-36.4175.5-174.659.3-152.300111Q123 K124 K129 Q130Q123-E126 HydrophobicContact CB-CB 4.47Å; Q123-E126 PolarHBondContact O-N 3.39Å; K124-E126 VanDerWaalsContact C-N 3.33Å; K124-E126 PolarHBondContact O-N 3.43Å; E126-K129 PolarHBondContact O-N 2.74Å; E126-K129 IonicContact OE1-NZ 2.73Å; E126-K129 PolarHBondContact OE1-NZ 3.33Å; E126-K129 IonicContact OE2-NZ 2.7Å; E126-K129 PolarHBondContact OE2-NZ 3.25Å; E126-Q130 WeakPolarHBondContact O-CB 3.28Å; E126-Q130 WeakPolarHBondContact O-CG 3.25Å; E126-Q130 PolarHBondContact O-N 3Å; E126-Q130 PolarHBondContact OE1-NE2 3.46Å
127A91.8Very high89.7Confident4 Ų459.9 Ų59.93%0.03331%0.31CS..Hα-helixtrans-59.5-54.1172.700000111.7M119 F121 Q123 K124 K129 Q130 I131 L150M119-A127 HydrophobicContact CG-CB 3.9Å; M119-A127 HydrophobicContact SD-CB 3.7Å; F121-A127 HydrophobicContact CD1-CB 4.23Å; Q123-A127 PolarHBondContact O-N 3.15Å; K124-A127 WeakPolarHBondContact O-CB 3.39Å; K124-A127 PolarHBondContact O-N 2.82Å; A127-K129 VanDerWaalsContact C-N 3.27Å; A127-K129 PolarHBondContact O-N 3.01Å; A127-Q130 PolarHBondContact O-N 2.79Å; A127-Q130 VanDerWaalsContact O-N 3.16Å; A127-I131 WeakPolarHBondContact O-CG1 3.43Å; A127-I131 PolarHBondContact O-N 2.91Å; A127-L150 HydrophobicContact CB-CD1 4.42Å
128C90.2Very high89.3Confident8 Ų861.3 Ų61.35%0.05432%0.315CS..Hα-helixtrans-55.4-42.9175.5-62.80000111.8K124 I131 N132K124-C128 PolarHBondContact O-N 3.16Å; K124-C128 PolarHBondContact O-SG 3.41Å; C128-I131 PolarHBondContact O-N 3.13Å; C128-N132 VanDerWaalsContact O-CB 3.28Å; C128-N132 WeakPolarHBondContact O-CB 3.43Å; C128-N132 PolarHBondContact O-N 2.91Å; C128-N132 PolarHBondContact O-ND2 2.66Å; C128-N132 VanDerWaalsContact O-ND2 3.08Å
129K91.4Very high88.5Confident116 Ų11656.2 Ų56.250%0.50429%0.291SS..Hα-helixtrans-65.9-37.5178.9174.9178.7155.1-130.70113A125 E126 A127 S133A125-K129 WeakPolarHBondContact O-CB 3.36Å; A125-K129 PolarHBondContact O-N 3.14Å; E126-K129 PolarHBondContact O-N 2.74Å; E126-K129 IonicContact OE1-NZ 2.73Å; E126-K129 PolarHBondContact OE1-NZ 3.33Å; E126-K129 IonicContact OE2-NZ 2.7Å; E126-K129 PolarHBondContact OE2-NZ 3.25Å; A127-K129 VanDerWaalsContact C-N 3.27Å; A127-K129 PolarHBondContact O-N 3.01Å; K129-S133 VanDerWaalsContact O-CB 3.25Å; K129-S133 WeakPolarHBondContact O-CB 3.43Å; K129-S133 PolarHBondContact O-N 3.1Å; K129-S133 PolarHBondContact O-OG 2.87Å
130Q93Very high87.8Confident95 Ų9560.4 Ų60.444%0.44431%0.314SS..Hα-helixtrans-69.6-46.2175.5-74177.316.900111.5M119 E126 A127 S133 W134M119-Q130 HydrophobicContact CE-CB 3.93Å; E126-Q130 WeakPolarHBondContact O-CB 3.28Å; E126-Q130 WeakPolarHBondContact O-CG 3.25Å; E126-Q130 PolarHBondContact O-N 3Å; E126-Q130 PolarHBondContact OE1-NE2 3.46Å; A127-Q130 PolarHBondContact O-N 2.79Å; A127-Q130 VanDerWaalsContact O-N 3.16Å; Q130-S133 PolarHBondContact O-N 3.11Å; Q130-W134 PolarHBondContact O-N 3.3Å
131I91.3Very high87Confident0 Ų058.9 Ų58.90%032%0.315CS..Hα-helixtrans-58.4-51.7175.8-62.8164.1000110.5Y93 M119 A127 C128 S133 W134 I135 V147 L150 V159Y93-I131 HydrophobicContact CD1-CG1 4.36Å; Y93-I131 HydrophobicContact CD2-CD1 4.43Å; Y93-I131 HydrophobicContact CD2-CG1 4.11Å; Y93-I131 HydrophobicContact CE1-CG1 4.08Å; Y93-I131 HydrophobicContact CE2-CG1 3.85Å; Y93-I131 HydrophobicContact CE2-CG2 4.29Å; Y93-I131 HydrophobicContact CG-CG1 4.36Å; M119-I131 HydrophobicContact CE-CG1 4.37Å; M119-I131 HydrophobicContact SD-CD1 3.82Å; M119-I131 HydrophobicContact SD-CG1 3.8Å; A127-I131 WeakPolarHBondContact O-CG1 3.43Å; A127-I131 PolarHBondContact O-N 2.91Å; C128-I131 PolarHBondContact O-N 3.13Å; I131-S133 VanDerWaalsContact C-N 3.32Å; I131-S133 PolarHBondContact O-N 2.87Å; I131-W134 PolarHBondContact O-N 2.68Å; I131-I135 HydrophobicContact CG2-CD1 3.69Å; I131-I135 HydrophobicContact CG2-CG1 4.46Å; I131-I135 WeakPolarHBondContact O-CG1 3.45Å; I131-I135 PolarHBondContact O-N 3.22Å; I131-V147 HydrophobicContact CB-CG2 4.31Å; I131-V147 HydrophobicContact CD1-CG2 4.4Å; I131-V147 HydrophobicContact CG2-CG2 3.61Å; I131-L150 HydrophobicContact CD1-CD1 4.18Å; I131-V159 HydrophobicContact CG2-CB 4.44Å; I131-V159 HydrophobicContact CG2-CG1 3.97Å; I131-V159 HydrophobicContact CG2-CG2 4.01Å
132N90.9Very high86.3Confident20 Ų2062.1 Ų62.111%0.10733%0.328CS..Hα-helixtrans-59.5-39.9177.3-72.5-32.1000112.5C128 S136 M146 V147C128-N132 VanDerWaalsContact O-CB 3.28Å; C128-N132 WeakPolarHBondContact O-CB 3.43Å; C128-N132 PolarHBondContact O-N 2.91Å; C128-N132 PolarHBondContact O-ND2 2.66Å; C128-N132 VanDerWaalsContact O-ND2 3.08Å; N132-S136 WeakPolarHBondContact O-CB 3.32Å; N132-S136 PolarHBondContact O-N 2.78Å; N132-M146 PolarHBondContact OD1-N 3.14Å; N132-V147 PolarHBondContact ND2-O 3.05Å; N132-V147 PolarHBondContact OD1-N 3.47Å
133S90.9Very high85.4Confident71 Ų7157.4 Ų57.450%0.49730%0.3SS..Hα-helixtrans-65.7-39.4176.9-62.50000112.4K129 Q130 I131 K137K129-S133 VanDerWaalsContact O-CB 3.25Å; K129-S133 WeakPolarHBondContact O-CB 3.43Å; K129-S133 PolarHBondContact O-N 3.1Å; K129-S133 PolarHBondContact O-OG 2.87Å; Q130-S133 PolarHBondContact O-N 3.11Å; I131-S133 VanDerWaalsContact C-N 3.32Å; I131-S133 PolarHBondContact O-N 2.87Å; S133-K137 WeakPolarHBondContact O-CB 3.33Å; S133-K137 PolarHBondContact O-N 2.62Å
134W90.2Very high84.8Confident40 Ų4055.8 Ų55.815%0.15230%0.298CS..Hα-helixtrans-66.2-46.1176.7-178.391000111.6A89 R91 Q130 I131 K137 K138A89-W134 HydrophobicContact CB-CE3 4.48Å; A89-W134 HydrophobicContact CB-CH2 3.84Å; A89-W134 HydrophobicContact CB-CZ3 3.66Å; R91-W134 HydrophobicContact CB-CE3 4.4Å; R91-W134 HydrophobicContact CB-CH2 3.45Å; R91-W134 VanDerWaalsContact CB-CH2 3.45Å; R91-W134 HydrophobicContact CB-CZ2 3.84Å; R91-W134 HydrophobicContact CB-CZ3 3.75Å; Q130-W134 PolarHBondContact O-N 3.3Å; I131-W134 PolarHBondContact O-N 2.68Å; W134-K137 PolarHBondContact O-N 2.98Å; W134-K138 HydrophobicContact CD2-CG 4.17Å; W134-K138 HydrophobicContact CH2-CG 4.35Å; W134-K138 HydrophobicContact CZ2-CD 4.41Å; W134-K138 HydrophobicContact CZ2-CG 4.02Å; W134-K138 WeakPolarHBondContact O-CB 3.35Å; W134-K138 WeakPolarHBondContact O-CG 3.47Å; W134-K138 PolarHBondContact O-N 2.78Å
135I86.3Confident84.3Confident0 Ų059.7 Ų59.70%031%0.311CS..Hα-helixtrans-62.3-46.4176.5-65.2166.9000110.9I131 K137 K138 T139 I143 M146 V159 A161I131-I135 HydrophobicContact CG2-CD1 3.69Å; I131-I135 HydrophobicContact CG2-CG1 4.46Å; I131-I135 WeakPolarHBondContact O-CG1 3.45Å; I131-I135 PolarHBondContact O-N 3.22Å; I135-K137 VanDerWaalsContact C-N 3.34Å; I135-K137 PolarHBondContact O-N 2.73Å; I135-K138 PolarHBondContact O-N 3.29Å; I135-T139 HydrophobicContact CG2-CG2 4.28Å; I135-T139 WeakPolarHBondContact O-CB 3.11Å; I135-T139 WeakPolarHBondContact O-CG2 3.38Å; I135-T139 PolarHBondContact O-N 3.11Å; I135-T139 PolarHBondContact O-OG1 3.37Å; I135-I143 HydrophobicContact CG2-CB 4.06Å; I135-I143 HydrophobicContact CG2-CG2 3.7Å; I135-M146 HydrophobicContact CD1-CB 3.83Å; I135-M146 HydrophobicContact CD1-CG 4.12Å; I135-M146 HydrophobicContact CD1-SD 3.7Å; I135-V159 HydrophobicContact CD1-CB 4.32Å; I135-V159 HydrophobicContact CD1-CG1 4.09Å; I135-A161 HydrophobicContact CG2-CB 3.43Å; I135-A161 VanDerWaalsContact CG2-CB 3.43Å
136S83.9Confident83.9Confident33 Ų3355.9 Ų55.923%0.23128%0.279CS..Hα-helixtrans-58.2-46176.6-175.10000111.5N132 T139 N140 G141 I143N132-S136 WeakPolarHBondContact O-CB 3.32Å; N132-S136 PolarHBondContact O-N 2.78Å; S136-T139 PolarHBondContact O-N 3.27Å; S136-N140 PolarHBondContact O-N 2.95Å; S136-G141 PolarHBondContact O-N 3.08Å; S136-I143 VanDerWaalsContact CA-O 3.26Å; S136-I143 WeakPolarHBondContact CA-O 2.93Å; S136-I143 PolarHBondContact N-O 2.92Å
137K86.7Confident83.4Confident177 Ų17753 Ų5377%0.7727%0.266SS*.Hα-helixtrans-63.5-42.2176.1-175.6178.7179.2-178.40112.5S133 W134 I135S133-K137 WeakPolarHBondContact O-CB 3.33Å; S133-K137 PolarHBondContact O-N 2.62Å; W134-K137 PolarHBondContact O-N 2.98Å; I135-K137 VanDerWaalsContact C-N 3.34Å; I135-K137 PolarHBondContact O-N 2.73Å
138K82.4Confident82.7Confident99 Ų9957.8 Ų57.843%0.4329%0.291SS..Hα-helixtrans-70.1-32.7179.1-77.6-76.7-171.5167.40112.9H87 A89 W134 I135H87-K138 WeakPolarHBondContact CB-O 3.34Å; H87-K138 PolarHBondContact CD2-O 2.78Å; A89-K138 HydrophobicContact CB-CB 3.61Å; A89-K138 HydrophobicContact CB-CG 4.09Å; W134-K138 HydrophobicContact CD2-CG 4.17Å; W134-K138 HydrophobicContact CH2-CG 4.35Å; W134-K138 HydrophobicContact CZ2-CD 4.41Å; W134-K138 HydrophobicContact CZ2-CG 4.02Å; W134-K138 WeakPolarHBondContact O-CB 3.35Å; W134-K138 WeakPolarHBondContact O-CG 3.47Å; W134-K138 PolarHBondContact O-N 2.78Å; I135-K138 PolarHBondContact O-N 3.29Å
139T75.7Confident82Confident0 Ų063.4 Ų63.40%032%0.321CS..THydrogen-bonded Turntrans-97.418.1-177.4630000113.5I135 S136 G141 K142 I143 A161I135-T139 HydrophobicContact CG2-CG2 4.28Å; I135-T139 WeakPolarHBondContact O-CB 3.11Å; I135-T139 WeakPolarHBondContact O-CG2 3.38Å; I135-T139 PolarHBondContact O-N 3.11Å; I135-T139 PolarHBondContact O-OG1 3.37Å; S136-T139 PolarHBondContact O-N 3.27Å; T139-G141 PolarHBondContact O-N 3.24Å; T139-K142 VanDerWaalsContact O-CB 3.25Å; T139-K142 WeakPolarHBondContact O-CB 3.34Å; T139-K142 WeakPolarHBondContact O-CG 3.45Å; T139-K142 PolarHBondContact O-N 3Å; T139-I143 HydrophobicContact CG2-CB 4.18Å; T139-I143 HydrophobicContact CG2-CD1 4.26Å; T139-I143 HydrophobicContact CG2-CG1 4.47Å; T139-I143 PolarHBondContact OG1-N 2.95Å; T139-I143 VanDerWaalsContact OG1-N 3.08Å; T139-I143 PolarHBondContact OG1-O 2.78Å; T139-A161 HydrophobicContact CG2-CB 4.03Å
140N76.5Confident81.5Confident95 Ų9558.2 Ų58.251%0.50830%0.298SS..THydrogen-bonded Turntrans50.839.5-177.1-65.1-38.3000113.8H87 S136 K142H87-N140 PolarHBondContact CD2-ND2 3.26Å; H87-N140 PolarHBondContact NE2-ND2 3.29Å; S136-N140 PolarHBondContact O-N 2.95Å; N140-K142 VanDerWaalsContact C-N 3.29Å; N140-K142 PolarHBondContact O-N 3.47Å
141G74.2Confident80.8Confident39 Ų3956.3 Ų56.340%0.40229%0.291SS..THydrogen-bonded Turntrans72.913.7179.900000115S136 T139 T144S136-G141 PolarHBondContact O-N 3.08Å; T139-G141 PolarHBondContact O-N 3.24Å; G141-T144 VanDerWaalsContact O-CG2 3.3Å; G141-T144 WeakPolarHBondContact O-CG2 3.38Å
142K75Confident80.1Confident73 Ų7362.1 Ų62.132%0.31732%0.319SS..SBendtrans-82.6-37.4-180-59-67.2179164.90112.8T139 N140 Y163 F313 E322T139-K142 VanDerWaalsContact O-CB 3.25Å; T139-K142 WeakPolarHBondContact O-CB 3.34Å; T139-K142 WeakPolarHBondContact O-CG 3.45Å; T139-K142 PolarHBondContact O-N 3Å; N140-K142 VanDerWaalsContact C-N 3.29Å; N140-K142 PolarHBondContact O-N 3.47Å; K142-Y163 HydrophobicContact CB-CD2 4.11Å; K142-Y163 HydrophobicContact CB-CE2 4.46Å; K142-Y163 HydrophobicContact CD-CE2 4.27Å; K142-Y163 HydrophobicContact CG-CD2 3.8Å; K142-Y163 HydrophobicContact CG-CE2 3.7Å; K142-F313 HydrophobicContact CD-CZ 4.36Å; K142-E322 WeakPolarHBondContact CD-OE1 3.31Å; K142-E322 VanDerWaalsContact CE-OE1 3.25Å; K142-E322 WeakPolarHBondContact CE-OE1 3.25Å; K142-E322 WeakPolarHBondContact CE-OE2 3.42Å; K142-E322 IonicContact NZ-OE1 2.69Å; K142-E322 PolarHBondContact NZ-OE1 3.2Å; K142-E322 IonicContact NZ-OE2 2.79Å; K142-E322 PolarHBondContact NZ-OE2 2.67Å
143I68.4Low79.7Confident0 Ų068.6 Ų68.60%034%0.341CS..SBendtrans-113.697.2171.5-61.2172.1000106.6I135 S136 T139 A161 K311 F313I135-I143 HydrophobicContact CG2-CB 4.06Å; I135-I143 HydrophobicContact CG2-CG2 3.7Å; S136-I143 VanDerWaalsContact CA-O 3.26Å; S136-I143 WeakPolarHBondContact CA-O 2.93Å; S136-I143 PolarHBondContact N-O 2.92Å; T139-I143 HydrophobicContact CG2-CB 4.18Å; T139-I143 HydrophobicContact CG2-CD1 4.26Å; T139-I143 HydrophobicContact CG2-CG1 4.47Å; T139-I143 PolarHBondContact OG1-N 2.95Å; T139-I143 VanDerWaalsContact OG1-N 3.08Å; T139-I143 PolarHBondContact OG1-O 2.78Å; I143-A161 HydrophobicContact CD1-CB 4Å; I143-A161 HydrophobicContact CG2-CB 4.42Å; I143-K311 HydrophobicContact CD1-CB 4.37Å; I143-K311 HydrophobicContact CD1-CG 4.16Å; I143-K311 HydrophobicContact CG2-CB 4.34Å; I143-K311 HydrophobicContact CG2-CD 3.64Å; I143-K311 HydrophobicContact CG2-CG 3.93Å; I143-F313 HydrophobicContact CD1-CB 4.25Å; I143-F313 HydrophobicContact CG1-CB 4.3Å
144T77.1Confident79.6Confident88 Ų8865.4 Ų65.454%0.5432%0.319SS..  trans-91.3-16.6-173.654.70000114G141G141-T144 VanDerWaalsContact O-CG2 3.3Å; G141-T144 WeakPolarHBondContact O-CG2 3.38Å
145R76.3Confident79.6Confident146 Ų14666 Ų6655%0.55132%0.321SS*.  trans-153.8129.6-168.7-159.7169.9-177.8168.30.5109.9D148 K311R145-D148 IonicContact CZ-OD1 2.66Å; R145-D148 IonicContact CZ-OD2 2.79Å; R145-D148 VanDerWaalsContact NE-CG 3.35Å; R145-D148 IonicContact NE-OD1 2.78Å; R145-D148 PolarHBondContact NE-OD1 3.35Å; R145-D148 IonicContact NE-OD2 2.63Å; R145-D148 PolarHBondContact NE-OD2 2.81Å; R145-D148 IonicContact NH2-OD1 2.85Å; R145-D148 PolarHBondContact NH2-OD1 2.9Å; R145-D148 IonicContact NH2-OD2 3.49Å; R145-K311 PolarHBondContact O-NZ 2.82Å
146M78.8Confident80Confident4 Ų466 Ų662%0.0232%0.321CS..  trans-155.1-16.4-172.8-176.2167.3176.800113.6N132 I135 V159 A161 L309 H310 K311N132-M146 PolarHBondContact OD1-N 3.14Å; I135-M146 HydrophobicContact CD1-CB 3.83Å; I135-M146 HydrophobicContact CD1-CG 4.12Å; I135-M146 HydrophobicContact CD1-SD 3.7Å; M146-V159 HydrophobicContact CE-CG1 4.18Å; M146-V159 HydrophobicContact SD-CG1 4.42Å; M146-A161 HydrophobicContact SD-CB 3.97Å; M146-L309 HydrophobicContact CE-CB 3.55Å; M146-L309 WeakPolarHBondContact CE-O 3.25Å; M146-H310 VanDerWaalsContact CE-C 3.48Å; M146-K311 HydrophobicContact CB-CD 4.19Å; M146-K311 HydrophobicContact CE-CB 3.7Å; M146-K311 HydrophobicContact CG-CB 4.1Å; M146-K311 HydrophobicContact CG-CD 4.15Å; M146-K311 HydrophobicContact SD-CB 3.46Å; M146-K311 WeakPolarHBondContact SD-CB 3.3Å; M146-K311 HydrophobicContact SD-CD 4.43Å
147V80.4Confident80.3Confident4 Ų464.5 Ų64.52%0.02431%0.31CS..  trans-130.5121.4171.6-166.20000108.5I131 N132 L150 V159 L309I131-V147 HydrophobicContact CB-CG2 4.31Å; I131-V147 HydrophobicContact CD1-CG2 4.4Å; I131-V147 HydrophobicContact CG2-CG2 3.61Å; N132-V147 PolarHBondContact ND2-O 3.05Å; N132-V147 PolarHBondContact OD1-N 3.47Å; V147-L150 HydrophobicContact CG1-CD1 3.96Å; V147-L150 HydrophobicContact CG1-CD2 3.81Å; V147-L150 HydrophobicContact CG1-CG 3.67Å; V147-V159 HydrophobicContact CG2-CG1 3.97Å; V147-L309 HydrophobicContact CG2-CD1 3.75Å
148D76.2Confident80.5Confident106 Ų10656.1 Ų56.157%0.56727%0.274SS*.  trans-115.6-30.6-175.1-93.2-34.4000114.7R145R145-D148 IonicContact CZ-OD1 2.66Å; R145-D148 IonicContact CZ-OD2 2.79Å; R145-D148 VanDerWaalsContact NE-CG 3.35Å; R145-D148 IonicContact NE-OD1 2.78Å; R145-D148 PolarHBondContact NE-OD1 3.35Å; R145-D148 IonicContact NE-OD2 2.63Å; R145-D148 PolarHBondContact NE-OD2 2.81Å; R145-D148 IonicContact NH2-OD1 2.85Å; R145-D148 PolarHBondContact NH2-OD1 2.9Å; R145-D148 IonicContact NH2-OD2 3.49Å
149D75.9Confident80.8Confident125 Ų12551.4 Ų51.467%0.66825%0.254SS*.  trans-139.7151.4171.3-158.2-1.9000109.8
150L81.4Confident81.3Confident7 Ų751.5 Ų51.54%0.03725%0.254CS..  trans-149.2135.2177.9-73.5178.1000108.1F121 K124 A127 I131 V147 T154 V157 E307F121-L150 HydrophobicContact CD1-CD1 3.83Å; F121-L150 HydrophobicContact CE1-CD1 4.04Å; K124-L150 WeakPolarHBondContact CD-O 3.3Å; K124-L150 VanDerWaalsContact CE-O 3.32Å; K124-L150 WeakPolarHBondContact CE-O 3.25Å; K124-L150 WeakPolarHBondContact CG-O 3.26Å; A127-L150 HydrophobicContact CB-CD1 4.42Å; I131-L150 HydrophobicContact CD1-CD1 4.18Å; V147-L150 HydrophobicContact CG1-CD1 3.96Å; V147-L150 HydrophobicContact CG1-CD2 3.81Å; V147-L150 HydrophobicContact CG1-CG 3.67Å; L150-T154 HydrophobicContact CD2-CG2 4.34Å; L150-V157 HydrophobicContact CD2-CG2 4.18Å; L150-E307 HydrophobicContact CD2-CG 4.41Å
151D78.9Confident81.1Confident55 Ų5547 Ų4729%0.29423%0.23SC..  trans-92.5169.2-178.3100.4-17.6000113.2R153 T154D151-R153 PolarHBondContact O-N 3.07Å; D151-R153 VanDerWaalsContact OD1-CA 3.25Å; D151-R153 WeakPolarHBondContact OD1-CA 3.48Å; D151-R153 VanDerWaalsContact OD1-CB 3.3Å; D151-R153 WeakPolarHBondContact OD1-CB 3.39Å; D151-R153 PolarHBondContact OD1-N 3.37Å; D151-R153 IonicContact OD2-CZ 3.98Å; D151-R153 IonicContact OD2-NE 3.23Å; D151-R153 PolarHBondContact OD2-NE 2.88Å; D151-R153 IonicContact OD2-NH2 2.72Å; D151-R153 PolarHBondContact OD2-NH2 2.99Å; D151-T154 PolarHBondContact N-OG1 2.82Å; D151-T154 VanDerWaalsContact O-CB 3.26Å; D151-T154 WeakPolarHBondContact O-CB 3.25Å; D151-T154 PolarHBondContact O-N 3.01Å; D151-T154 PolarHBondContact O-OG1 3.48Å; D151-T154 PolarHBondContact OD1-N 3.03Å
152E75.1Confident81.3Confident123 Ų12345.1 Ų45.158%0.57521%0.211SC*.THydrogen-bonded Turntrans-72.6-9.8-179.4-72.1141.4-102.400114K124 R155K124-E152 WeakPolarHBondContact CE-OE1 3.48Å; K124-E152 IonicContact NZ-OE1 3.1Å; K124-E152 PolarHBondContact NZ-OE1 2.9Å; E152-R155 PolarHBondContact O-NH1 2.81Å
153R83.6Confident81.3Confident156 Ų15642 Ų4259%0.58920%0.197SC*.THydrogen-bonded Turntrans-90.8-11.3173.9-60.8172.4-64.9165.45.6112.2D151 R155 Y304D151-R153 PolarHBondContact O-N 3.07Å; D151-R153 VanDerWaalsContact OD1-CA 3.25Å; D151-R153 WeakPolarHBondContact OD1-CA 3.48Å; D151-R153 VanDerWaalsContact OD1-CB 3.3Å; D151-R153 WeakPolarHBondContact OD1-CB 3.39Å; D151-R153 PolarHBondContact OD1-N 3.37Å; D151-R153 IonicContact OD2-CZ 3.98Å; D151-R153 IonicContact OD2-NE 3.23Å; D151-R153 PolarHBondContact OD2-NE 2.88Å; D151-R153 IonicContact OD2-NH2 2.72Å; D151-R153 PolarHBondContact OD2-NH2 2.99Å; R153-R155 VanDerWaalsContact C-NH1 3.28Å; R153-R155 VanDerWaalsContact O-CG 3.31Å; R153-R155 WeakPolarHBondContact O-CG 3.49Å; R153-R155 PolarHBondContact O-N 3.28Å; R153-R155 PolarHBondContact O-NE 3.2Å; R153-R155 PolarHBondContact O-NH1 3.47Å; R153-R155 VanDerWaalsContact O-NH1 3.14Å; R153-Y304 PolarHBondContact O-OH 3.05Å
154T88.4Confident81.7Confident4 Ų442 Ų423%0.02520%0.197CC..  trans-45.1123.6169.8-500000111.2F121 L150 D151 V157F121-T154 HydrophobicContact CB-CG2 4.37Å; F121-T154 HydrophobicContact CD1-CG2 3.86Å; F121-T154 HydrophobicContact CD2-CG2 3.63Å; F121-T154 WeakPolarHBondContact CD2-O 3.38Å; F121-T154 HydrophobicContact CE1-CG2 3.97Å; F121-T154 HydrophobicContact CE2-CG2 3.74Å; F121-T154 HydrophobicContact CG-CG2 3.69Å; F121-T154 HydrophobicContact CZ-CG2 3.91Å; L150-T154 HydrophobicContact CD2-CG2 4.34Å; D151-T154 PolarHBondContact N-OG1 2.82Å; D151-T154 VanDerWaalsContact O-CB 3.26Å; D151-T154 WeakPolarHBondContact O-CB 3.25Å; D151-T154 PolarHBondContact O-N 3.01Å; D151-T154 PolarHBondContact O-OG1 3.48Å; D151-T154 PolarHBondContact OD1-N 3.03Å; T154-V157 HydrophobicContact CG2-CG2 3.41Å; T154-V157 VanDerWaalsContact CG2-CG2 3.41Å
155R91.5Very high81.8Confident53 Ų5340.1 Ų40.120%0.218%0.181CC..  trans-117.2-41.2177.4-56.4-56.3167.5-120.54.1112.2A95 E152 R153 L303 Y304 S306A95-R155 PolarHBondContact N-O 3.31Å; E152-R155 PolarHBondContact O-NH1 2.81Å; R153-R155 VanDerWaalsContact C-NH1 3.28Å; R153-R155 VanDerWaalsContact O-CG 3.31Å; R153-R155 WeakPolarHBondContact O-CG 3.49Å; R153-R155 PolarHBondContact O-N 3.28Å; R153-R155 PolarHBondContact O-NE 3.2Å; R153-R155 PolarHBondContact O-NH1 3.47Å; R153-R155 VanDerWaalsContact O-NH1 3.14Å; R155-L303 HydrophobicContact CB-CD1 4.05Å; R155-Y304 HydrophobicContact CB-CD1 4.37Å; R155-Y304 HydrophobicContact CB-CE1 4.33Å; R155-Y304 HydrophobicContact CG-CD1 3.91Å; R155-Y304 HydrophobicContact CG-CE1 3.54Å; R155-S306 PolarHBondContact N-OG 2.9Å
156L93.1Very high82Confident0 Ų033.1 Ų33.10%016%0.155CC..EExtended strand (participates in β ladder)trans-145.7127.7-177.5-162.8123.2000110.5V37 L92 Y93 V94 I158 I297 L303 Y304 V305 S306 E307V37-L156 HydrophobicContact CG2-CD2 4.18Å; L92-L156 HydrophobicContact CD1-CD2 4.01Å; L92-L156 HydrophobicContact CD2-CD1 4Å; L92-L156 HydrophobicContact CD2-CD2 4.23Å; L92-L156 HydrophobicContact CD2-CG 4.34Å; L92-L156 HydrophobicContact CG-CD1 4.43Å; L92-L156 HydrophobicContact CG-CD2 4.16Å; L92-L156 HydrophobicContact CG-CG 4.26Å; Y93-L156 CarbonylContact O-C 3.6Å; Y93-L156 VanDerWaalsContact O-CA 3.3Å; Y93-L156 WeakPolarHBondContact O-CA 3.49Å; V94-L156 HydrophobicContact CG2-CD1 3.79Å; L156-I158 HydrophobicContact CD2-CG1 4.4Å; L156-I297 HydrophobicContact CD1-CD1 4.07Å; L156-L303 HydrophobicContact CB-CD1 4.15Å; L156-L303 HydrophobicContact CD1-CD1 3.89Å; L156-L303 HydrophobicContact CD1-CD2 3.95Å; L156-L303 HydrophobicContact CD1-CG 4.06Å; L156-Y304 VanDerWaalsContact CB-O 3.24Å; L156-Y304 WeakPolarHBondContact CB-O 3.4Å; L156-V305 HydrophobicContact CD2-CB 4.36Å; L156-V305 HydrophobicContact CD2-CG2 3.64Å; L156-S306 PolarHBondContact N-OG 3.3Å; L156-S306 PolarHBondContact O-N 2.9Å; L156-E307 PolarHBondContact O-N 3.24Å
157V91.2Very high82.3Confident0 Ų033 Ų330%015%0.154CC..EExtended strand (participates in β ladder)trans-119.3123.3177.5-176.40000109.3Y93 F121 L150 T154 V159 E307Y93-V157 PolarHBondContact N-O 3.26Å; Y93-V157 PolarHBondContact O-N 3.23Å; F121-V157 HydrophobicContact CE1-CG2 3.86Å; F121-V157 HydrophobicContact CZ-CB 4.43Å; F121-V157 HydrophobicContact CZ-CG2 3.73Å; L150-V157 HydrophobicContact CD2-CG2 4.18Å; T154-V157 HydrophobicContact CG2-CG2 3.41Å; T154-V157 VanDerWaalsContact CG2-CG2 3.41Å; V157-V159 HydrophobicContact CG1-CG1 4.42Å; V157-E307 WeakPolarHBondContact CA-O 3.23Å; V157-E307 HydrophobicContact CG1-CB 3.99Å; V157-E307 HydrophobicContact CG2-CB 4.26Å
158I91.1Very high82.5Confident2 Ų233 Ų331%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-92.1120.8168.7-37.5178.5000107.8A33 L34 V37 L92 L156 V305 E307 A308 L309A33-I158 HydrophobicContact CB-CG2 3.79Å; L34-I158 HydrophobicContact CD2-CD1 4.13Å; V37-I158 HydrophobicContact CG2-CD1 3.65Å; V37-I158 HydrophobicContact CG2-CG1 4.07Å; L92-I158 HydrophobicContact CD1-CB 4.25Å; L92-I158 HydrophobicContact CD1-CG1 3.87Å; L92-I158 HydrophobicContact CD1-CG2 4.12Å; L156-I158 HydrophobicContact CD2-CG1 4.4Å; I158-V305 HydrophobicContact CD1-CG1 3.9Å; I158-V305 HydrophobicContact CD1-CG2 4.13Å; I158-V305 HydrophobicContact CG1-CG1 3.96Å; I158-V305 HydrophobicContact CG1-CG2 4.48Å; I158-E307 PolarHBondContact N-O 2.8Å; I158-A308 HydrophobicContact CB-CB 4.28Å; I158-A308 HydrophobicContact CD1-CB 3.95Å; I158-A308 HydrophobicContact CG1-CB 4.22Å; I158-L309 PolarHBondContact O-N 2.91Å
159V87.4Confident83Confident0 Ų030.5 Ų30.50%014%0.141CC..EExtended strand (participates in β ladder)trans-121.4132.8173.2-102.30000111.1R91 Y93 I131 I135 M146 V147 V157 L309R91-V159 PolarHBondContact N-O 3.25Å; R91-V159 VanDerWaalsContact N-O 3.11Å; R91-V159 PolarHBondContact O-N 2.87Å; R91-V159 VanDerWaalsContact O-N 3.13Å; Y93-V159 HydrophobicContact CD2-CG2 3.4Å; Y93-V159 HydrophobicContact CE2-CG2 3.45Å; Y93-V159 VanDerWaalsContact CE2-CG2 3.45Å; I131-V159 HydrophobicContact CG2-CB 4.44Å; I131-V159 HydrophobicContact CG2-CG1 3.97Å; I131-V159 HydrophobicContact CG2-CG2 4.01Å; I135-V159 HydrophobicContact CD1-CB 4.32Å; I135-V159 HydrophobicContact CD1-CG1 4.09Å; M146-V159 HydrophobicContact CE-CG1 4.18Å; M146-V159 HydrophobicContact SD-CG1 4.42Å; V147-V159 HydrophobicContact CG2-CG1 3.97Å; V157-V159 HydrophobicContact CG1-CG1 4.42Å; V159-L309 HydrophobicContact CG1-CB 4.14Å; V159-L309 HydrophobicContact CG1-CD1 4.21Å
160N86.5Confident83.3Confident1 Ų126.5 Ų26.51%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-142.590.8-168.1-172-51.3000111S29 I30 A33 N90 L309 H310 K311S29-N160 VanDerWaalsContact CB-OD1 3.27Å; S29-N160 WeakPolarHBondContact CB-OD1 3.43Å; S29-N160 PolarHBondContact O-ND2 2.94Å; S29-N160 PolarHBondContact OG-OD1 2.97Å; I30-N160 WeakPolarHBondContact CA-ND2 3.19Å; I30-N160 PolarHBondContact N-ND2 2.87Å; A33-N160 HydrophobicContact CB-CB 4.26Å; A33-N160 WeakPolarHBondContact CB-ND2 3.21Å; N90-N160 PolarHBondContact OD1-ND2 3.38Å; N90-N160 PolarHBondContact OD1-OD1 3.31Å; N160-L309 WeakPolarHBondContact CB-O 3.2Å; N160-L309 PolarHBondContact N-O 3.21Å; N160-H310 HydrophobicContact CB-CB 4.4Å; N160-H310 CarbonylContact O-C 3.54Å; N160-H310 VanDerWaalsContact O-CA 3.29Å; N160-H310 WeakPolarHBondContact O-CA 3.34Å; N160-H310 PolarHBondContact O-ND1 3.27Å; N160-H310 PolarHBondContact OD1-CE1 3.34Å; N160-H310 PolarHBondContact OD1-ND1 3.09Å; N160-K311 PolarHBondContact O-N 3.01Å
161A73.5Confident83.5Confident0 Ų028.5 Ų28.50%013%0.133CC..EExtended strand (participates in β ladder)trans-106.6141.3174.500000111.1A89 I135 T139 I143 M146 K311A89-A161 HydrophobicContact CB-CB 4.18Å; A89-A161 WeakPolarHBondContact CB-O 3.04Å; A89-A161 PolarHBondContact N-O 2.65Å; A89-A161 PolarHBondContact O-N 3.21Å; A89-A161 VanDerWaalsContact O-N 3.11Å; I135-A161 HydrophobicContact CG2-CB 3.43Å; I135-A161 VanDerWaalsContact CG2-CB 3.43Å; T139-A161 HydrophobicContact CG2-CB 4.03Å; I143-A161 HydrophobicContact CD1-CB 4Å; I143-A161 HydrophobicContact CG2-CB 4.42Å; M146-A161 HydrophobicContact SD-CB 3.97Å; A161-K311 WeakPolarHBondContact CA-O 3.34Å
162I78.7Confident84Confident0 Ų026 Ų260%012%0.12CC..EExtended strand (participates in β ladder)trans-133.7136.9178.6-175.1176.3000112.8S26 W86 H87 V88 K311 T312 F365S26-I162 WeakPolarHBondContact OG-CD1 3.15Å; W86-I162 HydrophobicContact CH2-CD1 3.97Å; W86-I162 HydrophobicContact CZ2-CD1 3.3Å; W86-I162 HydrophobicContact CZ2-CG1 4.36Å; H87-I162 WeakPolarHBondContact O-CA 3.44Å; V88-I162 HydrophobicContact CG2-CB 4.19Å; V88-I162 HydrophobicContact CG2-CD1 3.73Å; V88-I162 HydrophobicContact CG2-CG1 3.73Å; I162-K311 PolarHBondContact N-O 3.15Å; I162-T312 HydrophobicContact CG2-CG2 3.79Å; I162-F365 HydrophobicContact CD1-CE1 3.88Å; I162-F365 HydrophobicContact CD1-CE2 3.99Å; I162-F365 HydrophobicContact CD1-CZ 3.39Å; I162-F365 HydrophobicContact CG1-CE1 4.25Å; I162-F365 HydrophobicContact CG1-CZ 3.82Å; I162-F365 HydrophobicContact CG2-CE1 4.05Å; I162-F365 HydrophobicContact CG2-CZ 4.48Å
163Y74.3Confident84.5Confident7 Ų727.3 Ų27.33%0.02712%0.119CC..EExtended strand (participates in β ladder)trans-127.2130.2171.5168.3-104.9000110.7I85 H87 K142 K165 F313 E322I85-Y163 HydrophobicContact CG2-CE1 4.23Å; H87-Y163 HydrophobicContact CB-CD1 4.41Å; H87-Y163 PolarHBondContact N-O 3.22Å; H87-Y163 PolarHBondContact O-N 3.3Å; K142-Y163 HydrophobicContact CB-CD2 4.11Å; K142-Y163 HydrophobicContact CB-CE2 4.46Å; K142-Y163 HydrophobicContact CD-CE2 4.27Å; K142-Y163 HydrophobicContact CG-CD2 3.8Å; K142-Y163 HydrophobicContact CG-CE2 3.7Å; Y163-K165 HydrophobicContact CE1-CB 4.11Å; Y163-K165 VanDerWaalsContact OH-CD 3.23Å; Y163-K165 WeakPolarHBondContact OH-CD 3.23Å; Y163-F313 HydrophobicContact CD2-CD1 4.21Å; Y163-E322 VanDerWaalsContact CE2-OE2 3.32Å; Y163-E322 WeakPolarHBondContact CE2-OE2 3.47Å; Y163-E322 PolarHBondContact OH-OE2 2.76Å
164F76.9Confident84.2Confident2 Ų223 Ų231%0.00912%0.117CC..EExtended strand (participates in β ladder)trans-125.2138.9171.9167.3-91.4000110.8I84 W86 Y217 M222 T321 I355 F365I84-F164 HydrophobicContact CG2-CD2 4.4Å; I84-F164 HydrophobicContact CG2-CE2 3.89Å; W86-F164 AromaticContact CD1-CD2 3.5Å; W86-F164 AromaticContact NE1-CD2 3.81Å; F164-Y217 AromaticContact CE1-CE1 3.74Å; F164-Y217 HydrophobicContact CE1-CE1 3.74Å; F164-Y217 HydrophobicContact CE1-CE2 4.32Å; F164-Y217 AromaticContact CE1-CZ 3.62Å; F164-Y217 HydrophobicContact CZ-CD1 4.14Å; F164-Y217 HydrophobicContact CZ-CD2 4.34Å; F164-Y217 AromaticContact CZ-CE1 3.75Å; F164-Y217 HydrophobicContact CZ-CE1 3.75Å; F164-Y217 AromaticContact CZ-CE2 3.98Å; F164-Y217 HydrophobicContact CZ-CE2 3.98Å; F164-Y217 HydrophobicContact CZ-CG 4.42Å; F164-Y217 AromaticContact CZ-CZ 3.67Å; F164-M222 HydrophobicContact CE2-CE 3.95Å; F164-T321 HydrophobicContact CD1-CG2 3.73Å; F164-T321 HydrophobicContact CE1-CG2 4Å; F164-I355 HydrophobicContact CD1-CD1 3.9Å; F164-I355 HydrophobicContact CE1-CD1 3.78Å; F164-I355 HydrophobicContact CZ-CD1 4.48Å; F164-I355 HydrophobicContact CZ-CG2 4.37Å; F164-F365 HydrophobicContact CB-CE2 3.37Å; F164-F365 HydrophobicContact CB-CZ 3.39Å; F164-F365 HydrophobicContact CD1-CE2 4.49Å; F164-F365 HydrophobicContact CD2-CE2 4.33Å; F164-F365 AromaticContact CG-CE2 3.86Å; F164-F365 HydrophobicContact CG-CE2 3.86Å; F164-F365 HydrophobicContact CG-CZ 4.34Å
165K78.3Confident83.9Confident47 Ų4729.4 Ų29.420%0.20415%0.147CC..EExtended strand (participates in β ladder)trans-139.7135.8171.6164172.5171.4175.30109.5I84 I85 Y163 T321 E322I84-K165 CarbonylContact C-O 3.56Å; I84-K165 VanDerWaalsContact CA-O 3.25Å; I84-K165 WeakPolarHBondContact CA-O 3.23Å; I84-K165 WeakPolarHBondContact CG2-O 3.38Å; I85-K165 HydrophobicContact CB-CB 4.38Å; I85-K165 HydrophobicContact CD1-CD 4.3Å; I85-K165 PolarHBondContact N-O 2.89Å; I85-K165 PolarHBondContact O-N 3.12Å; Y163-K165 HydrophobicContact CE1-CB 4.11Å; Y163-K165 VanDerWaalsContact OH-CD 3.23Å; Y163-K165 WeakPolarHBondContact OH-CD 3.23Å; K165-T321 CarbonylContact C-O 3.54Å; K165-T321 VanDerWaalsContact CA-O 3.23Å; K165-T321 WeakPolarHBondContact CA-O 3.19Å; K165-E322 HydrophobicContact CB-CB 4.36Å; K165-E322 WeakPolarHBondContact CD-O 3.49Å; K165-E322 VanDerWaalsContact CE-O 3.25Å; K165-E322 WeakPolarHBondContact CE-O 3.48Å; K165-E322 HydrophobicContact CG-CB 4.45Å
166G81Confident83.7Confident0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans-166.7143.2177.200000111.7G320 T321G166-G320 CarbonylContact O-C 3.57Å; G166-G320 VanDerWaalsContact O-CA 3.27Å; G166-G320 WeakPolarHBondContact O-CA 3.43Å; G166-T321 PolarHBondContact N-O 3.06Å; G166-T321 PolarHBondContact O-N 2.82Å
167A84.1Confident83.2Confident1 Ų133.4 Ų33.41%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-85.6149.1-177.200000112.5Y217 T218 Q319 A323 V326A167-Y217 CarbonylContact O-C 3.54Å; A167-Y217 VanDerWaalsContact O-CA 3.22Å; A167-Y217 WeakPolarHBondContact O-CA 3.48Å; A167-Y217 WeakPolarHBondContact O-CD1 3.32Å; A167-T218 HydrophobicContact CB-CG2 4.22Å; A167-T218 PolarHBondContact O-N 2.62Å; A167-T218 PolarHBondContact O-OG1 3.46Å; A167-Q319 CarbonylContact C-O 3.43Å; A167-Q319 VanDerWaalsContact CA-O 3.29Å; A167-Q319 WeakPolarHBondContact CA-O 3.44Å; A167-A323 HydrophobicContact CB-CB 3.91Å; A167-V326 HydrophobicContact CB-CG1 4.46Å
168W86.7Confident82.5Confident5 Ų536.4 Ų36.42%0.01919%0.186CC..BIsolated β-bridgetrans-69.3138.7171.3-59.8127.5000110.9T170 V171 F172 L215 Y217 M224 V316 N317 Q319 G320W168-T170 PolarHBondContact O-N 3.44Å; W168-V171 HydrophobicContact CB-CG1 4.15Å; W168-F172 AromaticContact CD1-CD2 3.81Å; W168-F172 AromaticContact NE1-CD2 3.9Å; W168-F172 AromaticContact NE1-CE2 3.94Å; W168-L215 HydrophobicContact CE3-CB 3.95Å; W168-L215 HydrophobicContact CH2-CB 4.42Å; W168-L215 HydrophobicContact CH2-CD1 4.35Å; W168-L215 HydrophobicContact CZ2-CD1 4.49Å; W168-L215 HydrophobicContact CZ3-CB 3.77Å; W168-L215 HydrophobicContact CZ3-CD1 4.46Å; W168-Y217 AromaticContact CE3-CD1 3.98Å; W168-Y217 HydrophobicContact CE3-CD1 3.98Å; W168-Y217 AromaticContact CE3-CE1 3.85Å; W168-Y217 HydrophobicContact CE3-CE1 3.85Å; W168-Y217 HydrophobicContact CE3-CG 4.5Å; W168-Y217 AromaticContact CH2-CE1 3.79Å; W168-Y217 HydrophobicContact CH2-CE1 3.79Å; W168-Y217 AromaticContact CH2-CZ 3.7Å; W168-Y217 WeakPolarHBondContact CH2-OH 3.36Å; W168-Y217 AromaticContact CZ3-CD1 3.91Å; W168-Y217 HydrophobicContact CZ3-CD1 3.91Å; W168-Y217 HydrophobicContact CZ3-CD2 4.38Å; W168-Y217 AromaticContact CZ3-CE1 3.38Å; W168-Y217 HydrophobicContact CZ3-CE1 3.38Å; W168-Y217 AromaticContact CZ3-CE2 3.9Å; W168-Y217 HydrophobicContact CZ3-CE2 3.9Å; W168-Y217 HydrophobicContact CZ3-CG 4.38Å; W168-Y217 AromaticContact CZ3-CZ 3.38Å; W168-M224 HydrophobicContact CH2-CB 3.75Å; W168-M224 HydrophobicContact CH2-CG 4.32Å; W168-M224 HydrophobicContact CH2-SD 3.62Å; W168-M224 HydrophobicContact CZ2-SD 4.29Å; W168-M224 HydrophobicContact CZ3-CB 3.8Å; W168-V316 HydrophobicContact CZ2-CG1 4.33Å; W168-N317 PolarHBondContact NE1-O 3.15Å; W168-Q319 PolarHBondContact N-O 3.24Å; W168-G320 VanDerWaalsContact CD1-CA 3.43Å; W168-G320 VanDerWaalsContact NE1-CA 3.29Å
169D85.7Confident81.5Confident53 Ų5337.2 Ų37.228%0.28319%0.19SC..SBendtrans-66-24.1172.8-177.150.3000112.6P216 K330D169-P216 HydrophobicContact CB-CB 4.17Å; D169-P216 HydrophobicContact CB-CG 4.14Å; D169-P216 PolarHBondContact N-O 3.44Å; D169-K330 VanDerWaalsContact CG-NZ 3.27Å; D169-K330 WeakPolarHBondContact O-CE 3.27Å; D169-K330 PolarHBondContact O-NZ 3.09Å; D169-K330 IonicContact OD1-NZ 3.19Å; D169-K330 WeakPolarHBondContact OD2-CE 3.45Å; D169-K330 IonicContact OD2-NZ 2.62Å; D169-K330 PolarHBondContact OD2-NZ 3.44Å
170T83Confident80.8Confident41 Ų4138.9 Ų38.925%0.25220%0.199SC..SBendtrans-133.395.2167.2-64.30000108.4W168 D201 K330W168-T170 PolarHBondContact O-N 3.44Å; T170-D201 PolarHBondContact OG1-OD2 2.91Å; T170-K330 PolarHBondContact OG1-NZ 2.69Å
171V85.7Confident80.3Confident48 Ų4841.9 Ų41.929%0.29122%0.215SC..PPolyproline II helixtrans-64.6146.7-178.7-66.90000113.3W168 E318W168-V171 HydrophobicContact CB-CG1 4.15Å; V171-E318 WeakPolarHBondContact CB-O 3.5Å
172F88.2Confident80.2Confident3 Ų341.9 Ų41.91%0.01322%0.215CC..PPolyproline II helixtrans-74.8146.3170.7-63.9-98.9000109.7W168 M195 A197 L215 V261 I263 E318W168-F172 AromaticContact CD1-CD2 3.81Å; W168-F172 AromaticContact NE1-CD2 3.9Å; W168-F172 AromaticContact NE1-CE2 3.94Å; F172-M195 HydrophobicContact CB-CB 4.15Å; F172-M195 HydrophobicContact CD1-CB 3.52Å; F172-M195 HydrophobicContact CD2-CB 4.29Å; F172-M195 HydrophobicContact CD2-CE 4.3Å; F172-M195 HydrophobicContact CD2-SD 4.43Å; F172-M195 HydrophobicContact CE1-CB 3.92Å; F172-M195 HydrophobicContact CE2-CE 4.2Å; F172-M195 HydrophobicContact CG-CB 3.73Å; F172-M195 HydrophobicContact CZ-CB 4.47Å; F172-A197 HydrophobicContact CD1-CB 3.54Å; F172-A197 HydrophobicContact CE1-CB 3.61Å; F172-A197 HydrophobicContact CG-CB 4.49Å; F172-L215 HydrophobicContact CE2-CD1 4.37Å; F172-L215 HydrophobicContact CZ-CD1 4.33Å; F172-L215 HydrophobicContact CZ-CD2 4.3Å; F172-V261 HydrophobicContact CE1-CG1 3.95Å; F172-V261 HydrophobicContact CZ-CG1 4.02Å; F172-I263 HydrophobicContact CE1-CG1 4.34Å; F172-I263 HydrophobicContact CE2-CD1 4.44Å; F172-I263 HydrophobicContact CZ-CD1 4.12Å; F172-I263 HydrophobicContact CZ-CG1 3.9Å; F172-E318 HydrophobicContact CB-CB 4.05Å; F172-E318 HydrophobicContact CB-CG 4.23Å; F172-E318 PolarHBondContact N-O 3.06Å
173R85.2Confident79.8Confident150 Ų15043.5 Ų43.557%0.56622%0.222SC*.PPolyproline II helixtrans-82.2121.5170.9-71.3174.7175.3-1286.2109E175 K176 T177R173-E175 HydrophobicContact CB-CB 4.22Å; R173-E175 HydrophobicContact CB-CG 4.38Å; R173-E175 VanDerWaalsContact CD-OE1 3.28Å; R173-E175 WeakPolarHBondContact CD-OE1 3.31Å; R173-E175 WeakPolarHBondContact CG-OE1 3.49Å; R173-E175 IonicContact CZ-OE1 2.72Å; R173-E175 IonicContact NE-OE1 3.3Å; R173-E175 IonicContact NH1-OE1 2.66Å; R173-E175 PolarHBondContact NH1-OE1 3.38Å; R173-E175 IonicContact NH1-OE2 3.91Å; R173-E175 PolarHBondContact NH1-OE2 3.06Å; R173-E175 PolarHBondContact O-N 3.02Å; R173-E175 VanDerWaalsContact O-N 3.16Å; R173-K176 HydrophobicContact CB-CG 4.45Å; R173-K176 WeakPolarHBondContact O-CA 3.48Å; R173-K176 PolarHBondContact O-N 3.34Å; R173-T177 PolarHBondContact O-N 2.99Å
174A77.5Confident78.9Confident67 Ų6743.4 Ų43.455%0.55422%0.222SC*.G310 helixtrans-57.4-28.8173.700000112.3K176 T177 E318A174-K176 PolarHBondContact O-N 2.64Å; A174-T177 PolarHBondContact O-N 3.2Å; A174-T177 VanDerWaalsContact O-N 3.17Å; A174-E318 HydrophobicContact CB-CG 4.36Å
175E83.2Confident77.7Confident138 Ų13843.3 Ų43.365%0.64522%0.222SC*.G310 helixtrans-48.7-27.6167.4-52.8155.1-117.500114.4R173R173-E175 HydrophobicContact CB-CB 4.22Å; R173-E175 HydrophobicContact CB-CG 4.38Å; R173-E175 VanDerWaalsContact CD-OE1 3.28Å; R173-E175 WeakPolarHBondContact CD-OE1 3.31Å; R173-E175 WeakPolarHBondContact CG-OE1 3.49Å; R173-E175 IonicContact CZ-OE1 2.72Å; R173-E175 IonicContact NE-OE1 3.3Å; R173-E175 IonicContact NH1-OE1 2.66Å; R173-E175 PolarHBondContact NH1-OE1 3.38Å; R173-E175 IonicContact NH1-OE2 3.91Å; R173-E175 PolarHBondContact NH1-OE2 3.06Å; R173-E175 PolarHBondContact O-N 3.02Å; R173-E175 VanDerWaalsContact O-N 3.16Å
176K86.7Confident76.1Confident116 Ų11645.4 Ų45.450%0.50423%0.232SC..G310 helixtrans-116.5-2.3-173.9-64.6-166.9175.2-171.70112.9R173 A174 V178 K196R173-K176 HydrophobicContact CB-CG 4.45Å; R173-K176 WeakPolarHBondContact O-CA 3.48Å; R173-K176 PolarHBondContact O-N 3.34Å; A174-K176 PolarHBondContact O-N 2.64Å; K176-V178 PolarHBondContact O-N 2.96Å; K176-K196 HydrophobicContact CB-CB 4.44Å; K176-K196 WeakPolarHBondContact CB-O 3.41Å; K176-K196 WeakPolarHBondContact O-CB 3.46Å
177T82.4Confident74.2Confident21 Ų2147.3 Ų47.313%0.12925%0.252CS..  trans-68.4114160.1-59.60000106.8R173 A174 P193 M194 M195 E318R173-T177 PolarHBondContact O-N 2.99Å; A174-T177 PolarHBondContact O-N 3.2Å; A174-T177 VanDerWaalsContact O-N 3.17Å; T177-P193 HydrophobicContact CG2-CB 3.63Å; T177-M194 WeakPolarHBondContact CA-O 3.22Å; T177-M195 HydrophobicContact CG2-CG 4.37Å; T177-E318 WeakPolarHBondContact CB-OE1 3.49Å; T177-E318 WeakPolarHBondContact CG2-OE1 3.42Å; T177-E318 WeakPolarHBondContact OG1-CG 3.5Å; T177-E318 PolarHBondContact OG1-OE1 2.94Å
178V76.6Confident72.3Confident62 Ų6249.4 Ų49.438%0.37626%0.261SS..EExtended strand (participates in β ladder)trans-141.2150.2171.6-56.80000108.2K176 M194 K196 E425K176-V178 PolarHBondContact O-N 2.96Å; V178-M194 PolarHBondContact N-O 2.97Å; V178-M194 PolarHBondContact O-N 3.33Å; V178-K196 HydrophobicContact CG2-CD 3.99Å; V178-E425 WeakPolarHBondContact CA-OE1 3.37Å
179D70.1Confident70.8Confident19 Ų1950.7 Ų50.710%0.10227%0.273CS..EExtended strand (participates in β ladder)trans-56.7142.1176.2-85.941000113.1L191 I192 P193 I421 E425D179-L191 HydrophobicContact CB-CB 4.44Å; D179-L191 HydrophobicContact CB-CD2 3.73Å; D179-L191 VanDerWaalsContact OD2-C 3.24Å; D179-I192 WeakPolarHBondContact CA-O 3.35Å; D179-I192 PolarHBondContact OD2-N 3.36Å; D179-P193 WeakPolarHBondContact OD1-CA 3.27Å; D179-P193 WeakPolarHBondContact OD1-CB 3.49Å; D179-P193 WeakPolarHBondContact OD1-CD 3.5Å; D179-P193 WeakPolarHBondContact OD1-CG 3.47Å; D179-P193 VanDerWaalsContact OD1-N 3.09Å; D179-I421 WeakPolarHBondContact OD2-CG2 3.11Å; D179-E425 HydrophobicContact CB-CB 3.7Å; D179-E425 HydrophobicContact CB-CG 3.7Å; D179-E425 PolarHBondContact N-OE1 3.07Å
180D73.7Confident69Low36 Ų3649.2 Ų49.219%0.19327%0.265CS..EExtended strand (participates in β ladder)trans-141.3160.7169.3-144.3-59.7000108.5F182 L191 I192 M194 K196 K346D180-F182 PolarHBondContact O-N 2.92Å; D180-L191 WeakPolarHBondContact O-CD2 3.5Å; D180-I192 PolarHBondContact N-O 3.21Å; D180-I192 VanDerWaalsContact N-O 3.14Å; D180-I192 PolarHBondContact O-N 2.76Å; D180-I192 VanDerWaalsContact O-N 3.1Å; D180-M194 HydrophobicContact CB-CB 4.04Å; D180-M194 HydrophobicContact CB-CE 4.42Å; D180-M194 HydrophobicContact CB-CG 3.32Å; D180-K196 WeakPolarHBondContact OD2-CE 3.29Å; D180-K196 IonicContact OD2-NZ 2.65Å; D180-K196 PolarHBondContact OD2-NZ 3.26Å; D180-K346 VanDerWaalsContact CG-CE 3.48Å; D180-K346 VanDerWaalsContact OD1-CE 3.24Å; D180-K346 WeakPolarHBondContact OD1-CE 3.46Å; D180-K346 IonicContact OD1-NZ 2.62Å; D180-K346 PolarHBondContact OD1-NZ 2.83Å; D180-K346 IonicContact OD2-NZ 2.68Å
181N75.7Confident67.5Low64 Ų6448.2 Ų48.234%0.34226%0.258SS..EExtended strand (participates in β ladder)trans-63.1138.6176.9-72.4-45.1000110F183 A189 D348N181-F183 HydrophobicContact CB-CE1 4.48Å; N181-F183 HydrophobicContact CB-CE2 3.91Å; N181-F183 HydrophobicContact CB-CZ 3.86Å; N181-A189 HydrophobicContact CB-CB 4.11Å; N181-D348 WeakPolarHBondContact O-CB 3.37Å
182F71.5Confident66.1Low0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-123.1111.6164.2-176.9-87.9000109.2D180 V184 A189 I190 I192 M194 A347 D348 H349 P350 F351 F369 A371D180-F182 PolarHBondContact O-N 2.92Å; F182-V184 HydrophobicContact CD1-CG2 4.3Å; F182-V184 PolarHBondContact O-N 2.87Å; F182-A189 WeakPolarHBondContact O-CA 3.39Å; F182-I190 PolarHBondContact N-O 2.9Å; F182-I190 PolarHBondContact O-N 3.04Å; F182-I192 HydrophobicContact CB-CD1 3.31Å; F182-I192 HydrophobicContact CB-CG1 3.62Å; F182-I192 HydrophobicContact CB-CG2 4.29Å; F182-I192 HydrophobicContact CD1-CD1 4.23Å; F182-I192 HydrophobicContact CD2-CD1 3.63Å; F182-I192 HydrophobicContact CE2-CD1 4.45Å; F182-I192 HydrophobicContact CG-CD1 3.48Å; F182-I192 VanDerWaalsContact CG-CD1 3.48Å; F182-I192 HydrophobicContact CG-CG1 4.34Å; F182-M194 HydrophobicContact CB-CE 4.11Å; F182-M194 HydrophobicContact CD2-CE 4.11Å; F182-A347 WeakPolarHBondContact CD2-O 3.22Å; F182-D348 CarbonylContact C-O 3.53Å; F182-D348 VanDerWaalsContact CA-O 3.24Å; F182-D348 WeakPolarHBondContact CA-O 3.23Å; F182-H349 VanDerWaalsContact CE2-O 3.27Å; F182-H349 WeakPolarHBondContact CE2-O 3.5Å; F182-P350 HydrophobicContact CE1-CG 4.08Å; F182-P350 HydrophobicContact CZ-CG 4.1Å; F182-F351 HydrophobicContact CE2-CD1 4.31Å; F182-F351 HydrophobicContact CE2-CE1 4.09Å; F182-F369 HydrophobicContact CD2-CE1 4.34Å; F182-F369 HydrophobicContact CE1-CD1 4.34Å; F182-F369 HydrophobicContact CE1-CE1 4.15Å; F182-F369 AromaticContact CE2-CD1 3.72Å; F182-F369 HydrophobicContact CE2-CD1 3.72Å; F182-F369 AromaticContact CE2-CE1 3.78Å; F182-F369 HydrophobicContact CE2-CE1 3.78Å; F182-F369 AromaticContact CZ-CD1 3.51Å; F182-F369 HydrophobicContact CZ-CD1 3.51Å; F182-F369 AromaticContact CZ-CE1 3.66Å; F182-F369 HydrophobicContact CZ-CE1 3.66Å; F182-A371 HydrophobicContact CD1-CB 4.03Å; F182-A371 HydrophobicContact CE1-CB 3.87Å
183F69.2Low64.9Low34 Ų3446.1 Ų46.115%0.14925%0.245CC..EExtended strand (participates in β ladder)trans-81.993.8-175.2-57.6-87.5000109.6N181 S185 H188 A189 R232 F233 D348 H349 P350N181-F183 HydrophobicContact CB-CE1 4.48Å; N181-F183 HydrophobicContact CB-CE2 3.91Å; N181-F183 HydrophobicContact CB-CZ 3.86Å; F183-S185 VanDerWaalsContact C-N 3.28Å; F183-S185 PolarHBondContact O-N 2.99Å; F183-H188 CarbonylContact C-O 3.59Å; F183-H188 WeakPolarHBondContact CA-O 3.34Å; F183-A189 HydrophobicContact CD1-CB 3.64Å; F183-A189 HydrophobicContact CE1-CB 3.84Å; F183-A189 HydrophobicContact CG-CB 4.23Å; F183-R232 HydrophobicContact CB-CG 4.04Å; F183-R232 HydrophobicContact CD2-CG 4.49Å; F183-R232 VanDerWaalsContact CD2-CZ 3.42Å; F183-R232 VanDerWaalsContact CE2-NH2 3.26Å; F183-R232 HydrophobicContact CG-CG 4.46Å; F183-F233 HydrophobicContact CB-CE1 3.85Å; F183-F233 HydrophobicContact CB-CZ 4.03Å; F183-D348 HydrophobicContact CD2-CB 4.32Å; F183-D348 VanDerWaalsContact CD2-O 3.29Å; F183-D348 WeakPolarHBondContact CD2-O 3.46Å; F183-D348 HydrophobicContact CE2-CB 4.49Å; F183-D348 WeakPolarHBondContact CE2-OD2 3.48Å; F183-D348 PolarHBondContact N-O 2.67Å; F183-H349 HydrophobicContact CB-CB 4.38Å; F183-H349 WeakPolarHBondContact O-CB 3.29Å; F183-P350 VanDerWaalsContact O-CD 3.24Å; F183-P350 WeakPolarHBondContact O-CD 3.36Å
184V55.7Low64.7Low4 Ų439 Ų392%0.02422%0.219CC..EExtended strand (participates in β ladder)trans-67.5-33.7-178-149.10000111.4F182 H188 I190 E372F182-V184 HydrophobicContact CD1-CG2 4.3Å; F182-V184 PolarHBondContact O-N 2.87Å; V184-H188 PolarHBondContact N-O 3.23Å; V184-I190 HydrophobicContact CG2-CD1 4.38Å; V184-I190 HydrophobicContact CG2-CG1 3.88Å; V184-E372 HydrophobicContact CG1-CG 3.94Å
185S50.9Low65.4Low0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-150.1176.2173.674.80000110.2F183 G187 H188 F233 L611F183-S185 VanDerWaalsContact C-N 3.28Å; F183-S185 PolarHBondContact O-N 2.99Å; S185-G187 PolarHBondContact O-N 3.11Å; S185-H188 PolarHBondContact O-N 2.9Å; S185-H188 VanDerWaalsContact O-N 3.08Å; S185-F233 WeakPolarHBondContact O-CE1 3.31Å; S185-F233 WeakPolarHBondContact O-CZ 3.43Å; S185-L611 VanDerWaalsContact OG-CD1 3.32Å; S185-L611 WeakPolarHBondContact OG-CD1 3.39Å
186E45.2Very low65.9Low92 Ų9231.5 Ų31.543%0.4317%0.172SC..THydrogen-bonded Turntrans-58113.8-175.9-166.8-173.6-114.300112H188 F233 N615 K724E186-H188 PolarHBondContact O-N 2.79Å; E186-F233 HydrophobicContact CB-CD2 3.85Å; E186-F233 HydrophobicContact CB-CE2 3.78Å; E186-F233 HydrophobicContact CB-CG 4.35Å; E186-F233 HydrophobicContact CB-CZ 4.21Å; E186-F233 HydrophobicContact CG-CD2 4.08Å; E186-F233 HydrophobicContact CG-CE2 3.76Å; E186-F233 HydrophobicContact CG-CZ 4.45Å; E186-N615 WeakPolarHBondContact CB-ND2 3.27Å; E186-K724 WeakPolarHBondContact O-CB 3.37Å; E186-K724 WeakPolarHBondContact O-CD 3.37Å; E186-K724 WeakPolarHBondContact O-CE 3.48Å; E186-K724 WeakPolarHBondContact O-CG 3.45Å; E186-K724 IonicContact OE2-NZ 3.71Å; E186-K724 PolarHBondContact OE2-NZ 2.65Å
187G41.8Very low66.1Low40 Ų4027 Ų2741%0.41216%0.155SC..THydrogen-bonded Turntrans74.9-4.4-179.800000115.9S185S185-G187 PolarHBondContact O-N 3.11Å
188H44.2Very low66.5Low44 Ų4431.3 Ų31.320%0.20417%0.174CC..EExtended strand (participates in β ladder)trans-99.9111.3171.5-160.758.4000110.4F183 V184 S185 E186 F723 K724F183-H188 CarbonylContact C-O 3.59Å; F183-H188 WeakPolarHBondContact CA-O 3.34Å; V184-H188 PolarHBondContact N-O 3.23Å; S185-H188 PolarHBondContact O-N 2.9Å; S185-H188 VanDerWaalsContact O-N 3.08Å; E186-H188 PolarHBondContact O-N 2.79Å; H188-F723 PolarHBondContact ND1-O 3.36Å; H188-K724 HydrophobicContact CB-CB 3.99Å; H188-K724 PolarHBondContact ND1-O 2.67Å
189A54.2Low66.9Low32 Ų3228.9 Ų28.926%0.26416%0.162SC..EExtended strand (participates in β ladder)trans-120.3135177.900000111.1N181 F182 F183N181-A189 HydrophobicContact CB-CB 4.11Å; F182-A189 WeakPolarHBondContact O-CA 3.39Å; F183-A189 HydrophobicContact CD1-CB 3.64Å; F183-A189 HydrophobicContact CE1-CB 3.84Å; F183-A189 HydrophobicContact CG-CB 4.23Å
190I48Very low67.5Low23 Ų2331.8 Ų31.812%0.11818%0.18CC..EExtended strand (participates in β ladder)trans-104148.5164.155.3163.4000108.9F182 V184 I192 A371F182-I190 PolarHBondContact N-O 2.9Å; F182-I190 PolarHBondContact O-N 3.04Å; V184-I190 HydrophobicContact CG2-CD1 4.38Å; V184-I190 HydrophobicContact CG2-CG1 3.88Å; I190-I192 HydrophobicContact CB-CG2 4.29Å; I190-I192 HydrophobicContact CD1-CG2 3.5Å; I190-I192 VanDerWaalsContact CD1-CG2 3.5Å; I190-I192 HydrophobicContact CG1-CG2 3.61Å; I190-A371 HydrophobicContact CD1-CB 3.66Å
191L51.4Low68.1Low20 Ų2031.7 Ų31.711%0.10518%0.18CC..EExtended strand (participates in β ladder)trans-88.3130172.7-94.9150.5000109.3D179 D180 I421 P429D179-L191 HydrophobicContact CB-CB 4.44Å; D179-L191 HydrophobicContact CB-CD2 3.73Å; D179-L191 VanDerWaalsContact OD2-C 3.24Å; D180-L191 WeakPolarHBondContact O-CD2 3.5Å; L191-I421 VanDerWaalsContact O-CD1 3.29Å; L191-I421 WeakPolarHBondContact O-CD1 3.39Å; L191-P429 HydrophobicContact CB-CB 4.39Å; L191-P429 HydrophobicContact CB-CG 4.03Å; L191-P429 HydrophobicContact CD1-CB 4.1Å; L191-P429 HydrophobicContact CD1-CG 3.95Å
192I56.6Low68.8Low0 Ų028.9 Ų28.90%017%0.165CC..EExtended strand (participates in β ladder)trans-143.8139-170.779.5168.7000109.2D179 D180 F182 I190 M194 P264 F369 K419D179-I192 WeakPolarHBondContact CA-O 3.35Å; D179-I192 PolarHBondContact OD2-N 3.36Å; D180-I192 PolarHBondContact N-O 3.21Å; D180-I192 VanDerWaalsContact N-O 3.14Å; D180-I192 PolarHBondContact O-N 2.76Å; D180-I192 VanDerWaalsContact O-N 3.1Å; F182-I192 HydrophobicContact CB-CD1 3.31Å; F182-I192 HydrophobicContact CB-CG1 3.62Å; F182-I192 HydrophobicContact CB-CG2 4.29Å; F182-I192 HydrophobicContact CD1-CD1 4.23Å; F182-I192 HydrophobicContact CD2-CD1 3.63Å; F182-I192 HydrophobicContact CE2-CD1 4.45Å; F182-I192 HydrophobicContact CG-CD1 3.48Å; F182-I192 VanDerWaalsContact CG-CD1 3.48Å; F182-I192 HydrophobicContact CG-CG1 4.34Å; I190-I192 HydrophobicContact CB-CG2 4.29Å; I190-I192 HydrophobicContact CD1-CG2 3.5Å; I190-I192 VanDerWaalsContact CD1-CG2 3.5Å; I190-I192 HydrophobicContact CG1-CG2 3.61Å; I192-M194 HydrophobicContact CD1-CE 4.08Å; I192-M194 HydrophobicContact CG1-CE 3.86Å; I192-M194 HydrophobicContact CG1-SD 4.37Å; I192-M194 PolarHBondContact O-N 3.47Å; I192-M194 VanDerWaalsContact O-N 3.1Å; I192-P264 HydrophobicContact CD1-CB 3.62Å; I192-P264 HydrophobicContact CD1-CG 4.35Å; I192-P264 HydrophobicContact CG1-CB 4.33Å; I192-F369 HydrophobicContact CD1-CE1 3.99Å; I192-F369 HydrophobicContact CD1-CZ 4.38Å; I192-K419 VanDerWaalsContact CB-CE 3.44Å
193P64Low69.9Low6 Ų630.6 Ų30.64%0.03917%0.172CC..EExtended strand (participates in β ladder)trans-61.2116.9-177.3-19.915.4000113.2T177 D179 K265 K419 Q420 I421T177-P193 HydrophobicContact CG2-CB 3.63Å; D179-P193 WeakPolarHBondContact OD1-CA 3.27Å; D179-P193 WeakPolarHBondContact OD1-CB 3.49Å; D179-P193 WeakPolarHBondContact OD1-CD 3.5Å; D179-P193 WeakPolarHBondContact OD1-CG 3.47Å; D179-P193 VanDerWaalsContact OD1-N 3.09Å; P193-K265 PolarHBondContact O-N 3.18Å; P193-K419 HydrophobicContact CB-CD 4.25Å; P193-K419 VanDerWaalsContact CD-CE 3.43Å; P193-K419 HydrophobicContact CG-CD 3.79Å; P193-K419 HydrophobicContact CG-CG 4.18Å; P193-K419 PolarHBondContact O-NZ 3.31Å; P193-Q420 WeakPolarHBondContact CG-O 3.24Å; P193-I421 HydrophobicContact CG-CG1 3.99Å
194M80.1Confident71.2Confident0 Ų029.3 Ų29.30%017%0.166CC..EExtended strand (participates in β ladder)trans-100.1121.8176.2-66.9-62-173.400110.1T177 V178 D180 F182 I192 K196 T262 I263 P264 D348T177-M194 WeakPolarHBondContact CA-O 3.22Å; V178-M194 PolarHBondContact N-O 2.97Å; V178-M194 PolarHBondContact O-N 3.33Å; D180-M194 HydrophobicContact CB-CB 4.04Å; D180-M194 HydrophobicContact CB-CE 4.42Å; D180-M194 HydrophobicContact CB-CG 3.32Å; F182-M194 HydrophobicContact CB-CE 4.11Å; F182-M194 HydrophobicContact CD2-CE 4.11Å; I192-M194 HydrophobicContact CD1-CE 4.08Å; I192-M194 HydrophobicContact CG1-CE 3.86Å; I192-M194 HydrophobicContact CG1-SD 4.37Å; I192-M194 PolarHBondContact O-N 3.47Å; I192-M194 VanDerWaalsContact O-N 3.1Å; M194-K196 HydrophobicContact CB-CG 4.45Å; M194-K196 PolarHBondContact O-N 3.35Å; M194-T262 HydrophobicContact CB-CG2 3.69Å; M194-T262 HydrophobicContact CG-CG2 3.94Å; M194-T262 HydrophobicContact SD-CG2 4.46Å; M194-I263 CarbonylContact C-O 3.48Å; M194-I263 WeakPolarHBondContact CA-O 3.38Å; M194-I263 VanDerWaalsContact SD-C 3.56Å; M194-P264 VanDerWaalsContact SD-CA 3.51Å; M194-P264 HydrophobicContact SD-CB 3.77Å; M194-P264 HydrophobicContact SD-CG 4.28Å; M194-D348 HydrophobicContact CE-CB 4.42Å
195M92.7Very high73.2Confident0 Ų030.6 Ų30.60%017%0.172CC..EExtended strand (participates in β ladder)trans-74.7116.5172.7-50.5-174.5-62.500108.1F172 T177 T262 I263 K265 V316 E318F172-M195 HydrophobicContact CB-CB 4.15Å; F172-M195 HydrophobicContact CD1-CB 3.52Å; F172-M195 HydrophobicContact CD2-CB 4.29Å; F172-M195 HydrophobicContact CD2-CE 4.3Å; F172-M195 HydrophobicContact CD2-SD 4.43Å; F172-M195 HydrophobicContact CE1-CB 3.92Å; F172-M195 HydrophobicContact CE2-CE 4.2Å; F172-M195 HydrophobicContact CG-CB 3.73Å; F172-M195 HydrophobicContact CZ-CB 4.47Å; T177-M195 HydrophobicContact CG2-CG 4.37Å; M195-T262 WeakPolarHBondContact O-CA 3.15Å; M195-I263 HydrophobicContact CE-CD1 3.58Å; M195-I263 HydrophobicContact CE-CG1 3.93Å; M195-I263 PolarHBondContact N-O 2.98Å; M195-I263 PolarHBondContact O-N 3.32Å; M195-K265 HydrophobicContact CG-CB 3.91Å; M195-K265 HydrophobicContact SD-CB 3.99Å; M195-K265 HydrophobicContact SD-CG 4.44Å; M195-V316 HydrophobicContact CE-CG1 3.91Å; M195-E318 HydrophobicContact CG-CG 4.27Å; M195-E318 HydrophobicContact SD-CB 4.49Å; M195-E318 HydrophobicContact SD-CG 4.04Å; M195-E318 PolarHBondContact SD-N 3.22Å; M195-E318 VanDerWaalsContact SD-N 3.38Å
196K93.2Very high75.3Confident49 Ų4933.8 Ų33.821%0.21319%0.187CC..EExtended strand (participates in β ladder)trans-111.5123.3-173.6-68.7167.2175.71640111.4K176 V178 D180 M194 V261 T262K176-K196 HydrophobicContact CB-CB 4.44Å; K176-K196 WeakPolarHBondContact CB-O 3.41Å; K176-K196 WeakPolarHBondContact O-CB 3.46Å; V178-K196 HydrophobicContact CG2-CD 3.99Å; D180-K196 WeakPolarHBondContact OD2-CE 3.29Å; D180-K196 IonicContact OD2-NZ 2.65Å; D180-K196 PolarHBondContact OD2-NZ 3.26Å; M194-K196 HydrophobicContact CB-CG 4.45Å; M194-K196 PolarHBondContact O-N 3.35Å; K196-V261 WeakPolarHBondContact CA-O 3.25Å; K196-T262 HydrophobicContact CD-CG2 4.36Å; K196-T262 HydrophobicContact CG-CG2 3.84Å
197A92Very high77.7Confident20 Ų2031.9 Ų31.917%0.16518%0.18CC..EExtended strand (participates in β ladder)trans-139166.6179.100000111.7F172 Y202 V261F172-A197 HydrophobicContact CD1-CB 3.54Å; F172-A197 HydrophobicContact CE1-CB 3.61Å; F172-A197 HydrophobicContact CG-CB 4.49Å; A197-Y202 VanDerWaalsContact CB-OH 3.22Å; A197-Y202 WeakPolarHBondContact CB-OH 3.07Å; A197-V261 PolarHBondContact N-O 2.77Å; A197-V261 PolarHBondContact O-N 2.77Å
198H90.1Very high80.1Confident112 Ų11237.3 Ų37.352%0.51920%0.199SC..EExtended strand (participates in β ladder)trans-147.7126.5173.6179.6-155.6000106.8D258 V259 R260H198-D258 IonicContact CD2-OD1 3Å; H198-D258 PolarHBondContact CD2-OD1 3.34Å; H198-D258 IonicContact CE1-OD1 2.69Å; H198-D258 IonicContact NE2-OD1 3.02Å; H198-D258 PolarHBondContact NE2-OD1 2.98Å; H198-D258 IonicContact NE2-OD2 3.43Å; H198-V259 PolarHBondContact CD2-O 3.43Å; H198-R260 HydrophobicContact CB-CG 4.29Å
199G85.3Confident82.4Confident12 Ų1239.5 Ų39.512%0.12421%0.213CC..EExtended strand (participates in β ladder)trans-162.2158.8-174.100000111Y202 V259G199-Y202 WeakPolarHBondContact O-CD2 3.34Å; G199-V259 PolarHBondContact N-O 3.09Å; G199-V259 PolarHBondContact O-N 2.68Å
200T82.7Confident84.4Confident79 Ų7938 Ų3849%0.48520%0.2SC..EExtended strand (participates in β ladder)trans-107.315.4-178.360.60000112.2I256 E257 D258T200-I256 WeakPolarHBondContact O-CG2 3.29Å; T200-E257 CarbonylContact C-O 3.55Å; T200-D258 HydrophobicContact CG2-CB 4.12Å
201D85Confident86.8Confident35 Ų3538.4 Ų38.419%0.18720%0.201CC..EExtended strand (participates in β ladder)trans-11712.7-178.357.7-28.5000112.4T170 K330T170-D201 PolarHBondContact OG1-OD2 2.91Å; D201-K330 IonicContact OD2-NZ 3.84Å; D201-K330 PolarHBondContact OD2-NZ 2.85Å
202Y91Very high89Confident5 Ų537.5 Ų37.52%0.0220%0.196CC..EExtended strand (participates in β ladder)trans-86.3136.2178.4-70.1-56.7000112.3A197 G199 L213 L215 I256 E257 V259 V261A197-Y202 VanDerWaalsContact CB-OH 3.22Å; A197-Y202 WeakPolarHBondContact CB-OH 3.07Å; G199-Y202 WeakPolarHBondContact O-CD2 3.34Å; Y202-L213 HydrophobicContact CD1-CD1 4.37Å; Y202-L213 HydrophobicContact CG-CD1 4.25Å; Y202-L215 HydrophobicContact CD1-CD2 3.73Å; Y202-L215 HydrophobicContact CE1-CD2 3.48Å; Y202-L215 VanDerWaalsContact CE1-CD2 3.48Å; Y202-I256 WeakPolarHBondContact O-CA 3.43Å; Y202-E257 PolarHBondContact O-N 2.68Å; Y202-V259 HydrophobicContact CD2-CB 3.99Å; Y202-V259 HydrophobicContact CG-CB 4.41Å; Y202-V261 HydrophobicContact CD1-CG2 4.28Å; Y202-V261 HydrophobicContact CD2-CG2 3.61Å; Y202-V261 HydrophobicContact CE1-CG2 4.26Å; Y202-V261 HydrophobicContact CE2-CB 4.3Å; Y202-V261 HydrophobicContact CE2-CG2 3.56Å; Y202-V261 HydrophobicContact CG-CG2 3.99Å
203F95Very high91Very high35 Ų3537.5 Ų37.515%0.15420%0.196CC..EExtended strand (participates in β ladder)trans-79.2123.6171.5-69.6-91000109.5L213 G214 P216 R223 R255 I256F203-L213 CarbonylContact O-C 3.59Å; F203-L213 WeakPolarHBondContact O-CA 3.44Å; F203-G214 PolarHBondContact N-O 3.19Å; F203-G214 PolarHBondContact O-N 2.92Å; F203-P216 HydrophobicContact CE2-CG 4.5Å; F203-R223 VanDerWaalsContact CE1-NH1 3.32Å; F203-R255 CarbonylContact C-O 3.51Å; F203-R255 WeakPolarHBondContact CA-O 3.32Å; F203-I256 HydrophobicContact CD1-CG1 4.21Å; F203-I256 HydrophobicContact CE1-CD1 4.31Å; F203-I256 HydrophobicContact CE1-CG1 3.86Å; F203-I256 HydrophobicContact CE2-CG1 4.47Å; F203-I256 HydrophobicContact CZ-CD1 4.18Å; F203-I256 HydrophobicContact CZ-CG1 4Å
204Y96.6Very high92.5Very high7 Ų737.2 Ų37.23%0.02720%0.195CC..EExtended strand (participates in β ladder)trans-137.1149-174.7-174.2-93.4000113E206 Q211 V212 T254 R255 V259 Y343 F345Y204-E206 HydrophobicContact CE1-CB 3.9Å; Y204-E206 HydrophobicContact CE1-CG 3.97Å; Y204-E206 PolarHBondContact OH-OE2 3Å; Y204-Q211 HydrophobicContact CE2-CB 4.48Å; Y204-Q211 PolarHBondContact OH-NE2 3.44Å; Y204-V212 WeakPolarHBondContact CA-O 3.39Å; Y204-T254 WeakPolarHBondContact O-CA 3.19Å; Y204-R255 PolarHBondContact N-O 3.08Å; Y204-R255 PolarHBondContact O-N 2.99Å; Y204-V259 HydrophobicContact CD2-CG1 4.19Å; Y204-V259 HydrophobicContact CD2-CG2 4.02Å; Y204-V259 HydrophobicContact CG-CG2 4.06Å; Y204-Y343 AromaticContact CD1-CD1 3.8Å; Y204-Y343 HydrophobicContact CD1-CD1 3.8Å; Y204-Y343 HydrophobicContact CD1-CD2 4.35Å; Y204-Y343 HydrophobicContact CD1-CE1 4.02Å; Y204-Y343 AromaticContact CD1-CG 3.95Å; Y204-Y343 HydrophobicContact CD1-CG 3.95Å; Y204-Y343 AromaticContact CE1-CD1 3.11Å; Y204-Y343 HydrophobicContact CE1-CD1 3.11Å; Y204-Y343 HydrophobicContact CE1-CD2 4.44Å; Y204-Y343 AromaticContact CE1-CE1 3.46Å; Y204-Y343 HydrophobicContact CE1-CE1 3.46Å; Y204-Y343 VanDerWaalsContact CE1-CE1 3.46Å; Y204-Y343 AromaticContact CE1-CG 3.66Å; Y204-Y343 HydrophobicContact CE1-CG 3.66Å; Y204-Y343 AromaticContact CZ-CD1 3.57Å; Y204-F345 HydrophobicContact CE2-CB 4.33Å; Y204-F345 HydrophobicContact CE2-CD2 4.11Å
205H96.5Very high93.2Very high32 Ų3237.3 Ų37.315%0.14820%0.195CC..EExtended strand (participates in β ladder)trans-148.9152.3166.1174.197.3000110V212 E253 T254H205-V212 HydrophobicContact CB-CB 4.29Å; H205-V212 PolarHBondContact N-O 3.36Å; H205-V212 PolarHBondContact O-N 3.49Å; H205-E253 IonicContact CE1-OE2 2.75Å; H205-E253 PolarHBondContact CE1-OE2 2.61Å; H205-E253 IonicContact ND1-OE2 2.78Å; H205-E253 IonicContact NE2-OE2 2.93Å; H205-T254 HydrophobicContact CB-CG2 3.94Å
206E96.1Very high93.1Very high67 Ų6738.2 Ų38.231%0.31320%0.201SC..EExtended strand (participates in β ladder)trans-141.6133.9165.968.1-171.3-178.500111.4Y204 C210 Q211 K341 Y343Y204-E206 HydrophobicContact CE1-CB 3.9Å; Y204-E206 HydrophobicContact CE1-CG 3.97Å; Y204-E206 PolarHBondContact OH-OE2 3Å; E206-C210 WeakPolarHBondContact CA-O 3.42Å; E206-Q211 HydrophobicContact CB-CG 4.45Å; E206-K341 IonicContact OE1-NZ 3.21Å; E206-K341 PolarHBondContact OE1-NZ 2.84Å; E206-Y343 HydrophobicContact CG-CE1 4.4Å; E206-Y343 VanDerWaalsContact OE1-CE1 3.31Å; E206-Y343 WeakPolarHBondContact OE1-CE1 3.31Å
207N94.4Very high92.8Very high52 Ų5236 Ų3628%0.27819%0.192SC..  trans-119.7-170.1169.364.422000109.2D209 C210 K230N207-D209 VanDerWaalsContact C-N 3.32Å; N207-D209 PolarHBondContact O-N 3.31Å; N207-D209 PolarHBondContact OD1-N 3.16Å; N207-D209 VanDerWaalsContact OD1-N 3.11Å; N207-C210 PolarHBondContact N-O 3.24Å; N207-C210 VanDerWaalsContact N-O 3.09Å; N207-C210 PolarHBondContact OD1-N 3.07Å; N207-C210 PolarHBondContact OD1-O 3.28Å; N207-C210 PolarHBondContact OD1-SG 3.32Å; N207-K230 VanDerWaalsContact O-CD 3.31Å; N207-K230 WeakPolarHBondContact O-CD 3.44Å; N207-K230 WeakPolarHBondContact O-CE 3.27Å; N207-K230 PolarHBondContact O-NZ 2.92Å
208D92.6Very high92.3Very high154 Ų15435.5 Ų35.582%0.82419%0.186SC*.SBendtrans-70-27.3-176.2-68.3-35.4000113.6
209D92.5Very high91.2Very high90 Ų9035.1 Ų35.148%0.48119%0.192SC..SBendtrans-91-31.8-176.1-57-63.8000113.8N207 K230 L238N207-D209 VanDerWaalsContact C-N 3.32Å; N207-D209 PolarHBondContact O-N 3.31Å; N207-D209 PolarHBondContact OD1-N 3.16Å; N207-D209 VanDerWaalsContact OD1-N 3.11Å; D209-K230 PolarHBondContact O-N 3.19Å; D209-L238 HydrophobicContact CB-CD1 3.8Å
210C96.5Very high90.6Very high0 Ų036.5 Ų36.50%020%0.198CC..EExtended strand (participates in β ladder)trans-149.5165-169.172.70000115.1E206 N207 V227 L228 L238E206-C210 WeakPolarHBondContact CA-O 3.42Å; N207-C210 PolarHBondContact N-O 3.24Å; N207-C210 VanDerWaalsContact N-O 3.09Å; N207-C210 PolarHBondContact OD1-N 3.07Å; N207-C210 PolarHBondContact OD1-O 3.28Å; N207-C210 PolarHBondContact OD1-SG 3.32Å; C210-V227 HydrophobicContact CB-CG1 4.26Å; C210-L228 CarbonylContact C-O 3.38Å; C210-L228 VanDerWaalsContact CA-O 3.26Å; C210-L228 WeakPolarHBondContact CA-O 3.41Å; C210-L228 VanDerWaalsContact CB-O 3.32Å; C210-L228 WeakPolarHBondContact CB-O 3.39Å; C210-L238 HydrophobicContact CB-CD1 3.92Å; C210-L238 HydrophobicContact CB-CD2 3.84Å
211Q98Very high90.7Very high32 Ų3235.5 Ų35.515%0.1519%0.19CC..EExtended strand (participates in β ladder)trans-109.5146.8160.1-55.1179.1-88.600108.6Y204 E206 L228 K230 T344 F345Y204-Q211 HydrophobicContact CE2-CB 4.48Å; Y204-Q211 PolarHBondContact OH-NE2 3.44Å; E206-Q211 HydrophobicContact CB-CG 4.45Å; Q211-L228 PolarHBondContact N-O 2.98Å; Q211-L228 PolarHBondContact O-N 2.88Å; Q211-K230 HydrophobicContact CG-CG 4.21Å; Q211-T344 PolarHBondContact NE2-O 3.35Å; Q211-F345 HydrophobicContact CB-CD2 3.71Å; Q211-F345 HydrophobicContact CB-CE2 3.71Å
212V98.1Very high90.7Very high0 Ų034 Ų340%018%0.182CC..EExtended strand (participates in β ladder)trans-127.4129.9176.3-175.20000109.3Y204 H205 Y225 V226 V227 L250 F251 T254Y204-V212 WeakPolarHBondContact CA-O 3.39Å; H205-V212 HydrophobicContact CB-CB 4.29Å; H205-V212 PolarHBondContact N-O 3.36Å; H205-V212 PolarHBondContact O-N 3.49Å; V212-Y225 HydrophobicContact CG1-CD1 4.02Å; V212-V226 WeakPolarHBondContact CA-O 3.34Å; V212-V227 HydrophobicContact CG1-CG2 4.33Å; V212-V227 HydrophobicContact CG2-CG1 4.33Å; V212-V227 HydrophobicContact CG2-CG2 4.31Å; V212-L250 HydrophobicContact CG2-CB 4.35Å; V212-L250 HydrophobicContact CG2-CD2 4.25Å; V212-F251 HydrophobicContact CG1-CD1 4.3Å; V212-T254 HydrophobicContact CB-CG2 4.23Å; V212-T254 HydrophobicContact CG1-CG2 3.77Å
213L97.8Very high90.8Very high0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans-122.1129.3174.5177.571000109.7Y202 F203 L215 Y225 V226 V259 V261 I263 F345Y202-L213 HydrophobicContact CD1-CD1 4.37Å; Y202-L213 HydrophobicContact CG-CD1 4.25Å; F203-L213 CarbonylContact O-C 3.59Å; F203-L213 WeakPolarHBondContact O-CA 3.44Å; L213-L215 HydrophobicContact CD2-CD2 4.04Å; L213-L215 HydrophobicContact CD2-CG 4.27Å; L213-L215 HydrophobicContact CG-CD2 4.33Å; L213-L215 HydrophobicContact CG-CG 4.42Å; L213-Y225 CarbonylContact O-C 3.59Å; L213-Y225 VanDerWaalsContact O-CA 3.26Å; L213-Y225 WeakPolarHBondContact O-CA 3.34Å; L213-V226 PolarHBondContact N-O 2.68Å; L213-V226 PolarHBondContact O-N 2.86Å; L213-V259 HydrophobicContact CD1-CG1 4.38Å; L213-V261 HydrophobicContact CD1-CG2 3.93Å; L213-V261 HydrophobicContact CD2-CB 4.35Å; L213-V261 HydrophobicContact CD2-CG1 3.58Å; L213-V261 HydrophobicContact CD2-CG2 3.82Å; L213-I263 HydrophobicContact CD2-CG2 4.19Å; L213-F345 HydrophobicContact CB-CD1 3.85Å; L213-F345 HydrophobicContact CB-CD2 3.81Å; L213-F345 HydrophobicContact CB-CE1 3.73Å; L213-F345 HydrophobicContact CB-CE2 3.69Å; L213-F345 HydrophobicContact CB-CG 3.88Å; L213-F345 HydrophobicContact CB-CZ 3.64Å; L213-F345 HydrophobicContact CD2-CD1 3.51Å; L213-F345 HydrophobicContact CD2-CE1 3.81Å; L213-F345 HydrophobicContact CD2-CG 4.06Å; L213-F345 HydrophobicContact CG-CD1 4.28Å; L213-F345 HydrophobicContact CG-CE1 4.43Å; L213-F345 HydrophobicContact CG-CG 4.47Å
214G96.3Very high90.7Very high0 Ų033.6 Ų33.60%018%0.179CC..EExtended strand (participates in β ladder)trans-108.5118.2170.700000111.6F203F203-G214 PolarHBondContact N-O 3.19Å; F203-G214 PolarHBondContact O-N 2.92Å
215L94Very high90.8Very high3 Ų333.3 Ų33.32%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-97.6111.5175.4-64174.5000109.7W168 F172 Y202 L213 R223 M224 I263W168-L215 HydrophobicContact CE3-CB 3.95Å; W168-L215 HydrophobicContact CH2-CB 4.42Å; W168-L215 HydrophobicContact CH2-CD1 4.35Å; W168-L215 HydrophobicContact CZ2-CD1 4.49Å; W168-L215 HydrophobicContact CZ3-CB 3.77Å; W168-L215 HydrophobicContact CZ3-CD1 4.46Å; F172-L215 HydrophobicContact CE2-CD1 4.37Å; F172-L215 HydrophobicContact CZ-CD1 4.33Å; F172-L215 HydrophobicContact CZ-CD2 4.3Å; Y202-L215 HydrophobicContact CD1-CD2 3.73Å; Y202-L215 HydrophobicContact CE1-CD2 3.48Å; Y202-L215 VanDerWaalsContact CE1-CD2 3.48Å; L213-L215 HydrophobicContact CD2-CD2 4.04Å; L213-L215 HydrophobicContact CD2-CG 4.27Å; L213-L215 HydrophobicContact CG-CD2 4.33Å; L213-L215 HydrophobicContact CG-CG 4.42Å; L215-R223 CarbonylContact O-C 3.49Å; L215-R223 VanDerWaalsContact O-CA 3.27Å; L215-R223 WeakPolarHBondContact O-CA 3.09Å; L215-M224 HydrophobicContact CB-CB 4.44Å; L215-M224 PolarHBondContact N-O 3.03Å; L215-M224 PolarHBondContact O-N 2.66Å; L215-I263 HydrophobicContact CD1-CD1 3.56Å
216P91.2Very high90.8Very high19 Ų1931.8 Ų31.812%0.12317%0.171CC..EExtended strand (participates in β ladder)trans-73.2141.9178.927-31.6000112.9D169 F203 R223D169-P216 HydrophobicContact CB-CB 4.17Å; D169-P216 HydrophobicContact CB-CG 4.14Å; D169-P216 PolarHBondContact N-O 3.44Å; F203-P216 HydrophobicContact CE2-CG 4.5Å; P216-R223 HydrophobicContact CB-CG 4.49Å
217Y87.1Confident90.9Very high3 Ų328.7 Ų28.71%0.01216%0.156CC..BIsolated β-bridgetrans-87156167.5-67.6-82.1000110.9F164 A167 W168 M222 M224 T321 I355F164-Y217 AromaticContact CE1-CE1 3.74Å; F164-Y217 HydrophobicContact CE1-CE1 3.74Å; F164-Y217 HydrophobicContact CE1-CE2 4.32Å; F164-Y217 AromaticContact CE1-CZ 3.62Å; F164-Y217 HydrophobicContact CZ-CD1 4.14Å; F164-Y217 HydrophobicContact CZ-CD2 4.34Å; F164-Y217 AromaticContact CZ-CE1 3.75Å; F164-Y217 HydrophobicContact CZ-CE1 3.75Å; F164-Y217 AromaticContact CZ-CE2 3.98Å; F164-Y217 HydrophobicContact CZ-CE2 3.98Å; F164-Y217 HydrophobicContact CZ-CG 4.42Å; F164-Y217 AromaticContact CZ-CZ 3.67Å; A167-Y217 CarbonylContact O-C 3.54Å; A167-Y217 VanDerWaalsContact O-CA 3.22Å; A167-Y217 WeakPolarHBondContact O-CA 3.48Å; A167-Y217 WeakPolarHBondContact O-CD1 3.32Å; W168-Y217 AromaticContact CE3-CD1 3.98Å; W168-Y217 HydrophobicContact CE3-CD1 3.98Å; W168-Y217 AromaticContact CE3-CE1 3.85Å; W168-Y217 HydrophobicContact CE3-CE1 3.85Å; W168-Y217 HydrophobicContact CE3-CG 4.5Å; W168-Y217 AromaticContact CH2-CE1 3.79Å; W168-Y217 HydrophobicContact CH2-CE1 3.79Å; W168-Y217 AromaticContact CH2-CZ 3.7Å; W168-Y217 WeakPolarHBondContact CH2-OH 3.36Å; W168-Y217 AromaticContact CZ3-CD1 3.91Å; W168-Y217 HydrophobicContact CZ3-CD1 3.91Å; W168-Y217 HydrophobicContact CZ3-CD2 4.38Å; W168-Y217 AromaticContact CZ3-CE1 3.38Å; W168-Y217 HydrophobicContact CZ3-CE1 3.38Å; W168-Y217 AromaticContact CZ3-CE2 3.9Å; W168-Y217 HydrophobicContact CZ3-CE2 3.9Å; W168-Y217 HydrophobicContact CZ3-CG 4.38Å; W168-Y217 AromaticContact CZ3-CZ 3.38Å; Y217-M222 HydrophobicContact CD2-CB 4.11Å; Y217-M222 PolarHBondContact N-O 3.18Å; Y217-M224 HydrophobicContact CE2-CB 4.01Å; Y217-T321 PolarHBondContact OH-OG1 2.54Å; Y217-I355 HydrophobicContact CE2-CG1 4.47Å; Y217-I355 HydrophobicContact CE2-CG2 4.05Å; Y217-I355 WeakPolarHBondContact OH-CD1 3.35Å
218T80.6Confident91Very high9 Ų926.2 Ų26.26%0.05514%0.143CC..THydrogen-bonded Turntrans-59.6147.2175.848.80000111.9A167 T220A167-T218 HydrophobicContact CB-CG2 4.22Å; A167-T218 PolarHBondContact O-N 2.62Å; A167-T218 PolarHBondContact O-OG1 3.46Å; T218-T220 PolarHBondContact O-N 2.92Å; T218-T220 PolarHBondContact O-OG1 2.75Å
219T67.2Low91Very high103 Ų10319 Ų1963%0.63211%0.105SC*.THydrogen-bonded Turntrans58.99.3160.232.30000117.1A82A82-T219 WeakPolarHBondContact CA-OG1 3.48Å; A82-T219 PolarHBondContact O-OG1 2.97Å
220T72.9Confident91Very high42 Ų4219 Ų1926%0.25810%0.101SC..SBendtrans-143.7159.3176.958.50000109.9A82 I84 T218 M222A82-T220 HydrophobicContact CB-CG2 4.4Å; I84-T220 HydrophobicContact CD1-CG2 3.83Å; I84-T220 VanDerWaalsContact CD1-OG1 3.31Å; I84-T220 WeakPolarHBondContact CD1-OG1 3.32Å; T218-T220 PolarHBondContact O-N 2.92Å; T218-T220 PolarHBondContact O-OG1 2.75Å; T220-M222 PolarHBondContact O-N 3.37Å
221N84.4Confident90.4Very high58 Ų5822.6 Ų22.631%0.3113%0.126SC..SBendtrans-82.434.3173.3-158.48.7000112.2R223 M358 D359N221-R223 PolarHBondContact OD1-NH2 3.06Å; N221-M358 VanDerWaalsContact O-CB 3.23Å; N221-M358 WeakPolarHBondContact O-CB 3.44Å; N221-M358 WeakPolarHBondContact O-CG 3.41Å; N221-M358 PolarHBondContact O-N 3.39Å; N221-D359 VanDerWaalsContact CB-OD1 3.31Å; N221-D359 WeakPolarHBondContact CB-OD1 3.4Å; N221-D359 VanDerWaalsContact CB-OD2 3.26Å; N221-D359 WeakPolarHBondContact CB-OD2 3.46Å; N221-D359 PolarHBondContact ND2-OD1 3.27Å
222M86.7Confident89.4Confident3 Ų325.8 Ų25.82%0.01514%0.136CC..EExtended strand (participates in β ladder)trans-97.4144.3-179.7-60.9-154.4-66.600111.5M77 I84 F164 Y217 T220 V356 N357 L364M77-M222 HydrophobicContact CG-CE 3.78Å; M77-M222 HydrophobicContact CG-SD 3.82Å; M77-M222 HydrophobicContact SD-CE 3.62Å; M77-M222 HydrophobicContact SD-SD 3.48Å; I84-M222 HydrophobicContact CD1-CE 3.41Å; I84-M222 VanDerWaalsContact CD1-CE 3.41Å; I84-M222 HydrophobicContact CG2-CE 3.95Å; F164-M222 HydrophobicContact CE2-CE 3.95Å; Y217-M222 HydrophobicContact CD2-CB 4.11Å; Y217-M222 PolarHBondContact N-O 3.18Å; T220-M222 PolarHBondContact O-N 3.37Å; M222-V356 WeakPolarHBondContact CA-O 3.47Å; M222-N357 HydrophobicContact CG-CB 4.25Å; M222-N357 HydrophobicContact SD-CB 4.26Å; M222-L364 HydrophobicContact SD-CD1 3.47Å; M222-L364 WeakPolarHBondContact SD-CD1 3.48Å
223R91.8Very high88.3Confident32 Ų3227.9 Ų27.912%0.12115%0.146CC..EExtended strand (participates in β ladder)trans-141.3139.7-175.8-50.9-179.5-162.5156.56.5110.8F203 L215 P216 N221 Y225 V356 M358F203-R223 VanDerWaalsContact CE1-NH1 3.32Å; L215-R223 CarbonylContact O-C 3.49Å; L215-R223 VanDerWaalsContact O-CA 3.27Å; L215-R223 WeakPolarHBondContact O-CA 3.09Å; P216-R223 HydrophobicContact CB-CG 4.49Å; N221-R223 PolarHBondContact OD1-NH2 3.06Å; R223-Y225 HydrophobicContact CB-CD2 4.23Å; R223-Y225 HydrophobicContact CB-CE2 3.79Å; R223-Y225 WeakPolarHBondContact CD-OH 3.33Å; R223-Y225 PolarHBondContact NH1-OH 3.16Å; R223-V356 PolarHBondContact N-O 3.49Å; R223-V356 PolarHBondContact O-N 3.44Å; R223-M358 HydrophobicContact CG-CG 4.17Å
224M94.1Very high87.4Confident0 Ų028.3 Ų28.30%015%0.15CC..EExtended strand (participates in β ladder)trans-86.7113.3162-177.1-175.217800108.1W168 L215 Y217 V226 F266 V316 F353 A354 I355W168-M224 HydrophobicContact CH2-CB 3.75Å; W168-M224 HydrophobicContact CH2-CG 4.32Å; W168-M224 HydrophobicContact CH2-SD 3.62Å; W168-M224 HydrophobicContact CZ2-SD 4.29Å; W168-M224 HydrophobicContact CZ3-CB 3.8Å; L215-M224 HydrophobicContact CB-CB 4.44Å; L215-M224 PolarHBondContact N-O 3.03Å; L215-M224 PolarHBondContact O-N 2.66Å; Y217-M224 HydrophobicContact CE2-CB 4.01Å; M224-V226 HydrophobicContact CE-CG2 4.21Å; M224-F266 HydrophobicContact CE-CE1 4.02Å; M224-F266 HydrophobicContact CE-CZ 3.66Å; M224-V316 HydrophobicContact CE-CG2 4.03Å; M224-V316 HydrophobicContact SD-CG1 4.38Å; M224-V316 HydrophobicContact SD-CG2 4.07Å; M224-F353 HydrophobicContact CE-CB 3.73Å; M224-F353 HydrophobicContact CE-CD2 3.76Å; M224-F353 HydrophobicContact CE-CG 3.85Å; M224-A354 CarbonylContact C-O 3.59Å; M224-A354 WeakPolarHBondContact CA-O 3.49Å; M224-I355 HydrophobicContact CB-CG1 4.32Å; M224-I355 HydrophobicContact CG-CG1 4.32Å
225Y97.3Very high86.8Confident0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-89.5141.6169.3-71.7-82.3000111V212 L213 R223 F251 T254 F353 A354 V356 M358V212-Y225 HydrophobicContact CG1-CD1 4.02Å; L213-Y225 CarbonylContact O-C 3.59Å; L213-Y225 VanDerWaalsContact O-CA 3.26Å; L213-Y225 WeakPolarHBondContact O-CA 3.34Å; R223-Y225 HydrophobicContact CB-CD2 4.23Å; R223-Y225 HydrophobicContact CB-CE2 3.79Å; R223-Y225 WeakPolarHBondContact CD-OH 3.33Å; R223-Y225 PolarHBondContact NH1-OH 3.16Å; Y225-F251 HydrophobicContact CD1-CB 4.33Å; Y225-F251 AromaticContact CD1-CD1 3.61Å; Y225-F251 HydrophobicContact CD1-CD1 3.61Å; Y225-F251 HydrophobicContact CD1-CE1 4.24Å; Y225-F251 HydrophobicContact CD1-CG 4.11Å; Y225-F251 HydrophobicContact CD2-CB 4.14Å; Y225-F251 AromaticContact CD2-CD1 3.83Å; Y225-F251 HydrophobicContact CD2-CD1 3.83Å; Y225-F251 AromaticContact CD2-CD2 3.99Å; Y225-F251 HydrophobicContact CD2-CD2 3.99Å; Y225-F251 HydrophobicContact CD2-CE1 4.24Å; Y225-F251 HydrophobicContact CD2-CE2 4.38Å; Y225-F251 AromaticContact CD2-CG 3.7Å; Y225-F251 HydrophobicContact CD2-CG 3.7Å; Y225-F251 HydrophobicContact CE1-CB 4.03Å; Y225-F251 HydrophobicContact CE1-CD1 4.18Å; Y225-F251 HydrophobicContact CE1-CG 4.31Å; Y225-F251 HydrophobicContact CE2-CB 3.81Å; Y225-F251 HydrophobicContact CE2-CD1 4.36Å; Y225-F251 HydrophobicContact CE2-CD2 4.32Å; Y225-F251 AromaticContact CE2-CG 3.91Å; Y225-F251 HydrophobicContact CE2-CG 3.91Å; Y225-F251 HydrophobicContact CG-CB 4.37Å; Y225-F251 AromaticContact CG-CD1 3.4Å; Y225-F251 HydrophobicContact CG-CD1 3.4Å; Y225-F251 VanDerWaalsContact CG-CD1 3.4Å; Y225-F251 HydrophobicContact CG-CD2 4.38Å; Y225-F251 AromaticContact CG-CE1 3.71Å; Y225-F251 HydrophobicContact CG-CE1 3.71Å; Y225-F251 AromaticContact CG-CG 3.79Å; Y225-F251 HydrophobicContact CG-CG 3.79Å; Y225-F251 HydrophobicContact CG-CZ 4.32Å; Y225-F251 PolarHBondContact OH-O 2.81Å; Y225-T254 HydrophobicContact CD1-CG2 4.38Å; Y225-T254 HydrophobicContact CE1-CG2 3.86Å; Y225-F353 CarbonylContact O-C 3.56Å; Y225-F353 WeakPolarHBondContact O-CA 3.2Å; Y225-F353 WeakPolarHBondContact O-CB 3.18Å; Y225-A354 PolarHBondContact N-O 3.18Å; Y225-A354 PolarHBondContact O-N 3.43Å; Y225-V356 HydrophobicContact CD2-CB 4.27Å; Y225-V356 HydrophobicContact CD2-CG2 3.99Å; Y225-V356 HydrophobicContact CE2-CB 4.34Å; Y225-V356 HydrophobicContact CE2-CG2 4.48Å; Y225-M358 HydrophobicContact CE2-SD 3.6Å; Y225-M358 VanDerWaalsContact CE2-SD 3.6Å
226V97.2Very high86Confident1 Ų131.2 Ų31.21%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-122.6120.5171.3-172.90000107.5V212 L213 M224 F345 F351V212-V226 WeakPolarHBondContact CA-O 3.34Å; L213-V226 PolarHBondContact N-O 2.68Å; L213-V226 PolarHBondContact O-N 2.86Å; M224-V226 HydrophobicContact CE-CG2 4.21Å; V226-F345 HydrophobicContact CB-CE1 4.07Å; V226-F345 HydrophobicContact CB-CZ 3.85Å; V226-F345 HydrophobicContact CG1-CE1 3.93Å; V226-F345 HydrophobicContact CG1-CZ 3.74Å; V226-F351 HydrophobicContact CG1-CB 4.17Å; V226-F351 HydrophobicContact CG1-CD1 4.35Å; V226-F351 HydrophobicContact CG1-CD2 3.57Å; V226-F351 HydrophobicContact CG1-CE2 3.98Å; V226-F351 HydrophobicContact CG1-CG 3.79Å
227V97.7Very high85.7Confident1 Ų135.8 Ų35.81%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-107106.4177.8-176.50000107.9C210 V212 L238 L247 F251 F351 I352C210-V227 HydrophobicContact CB-CG1 4.26Å; V212-V227 HydrophobicContact CG1-CG2 4.33Å; V212-V227 HydrophobicContact CG2-CG1 4.33Å; V212-V227 HydrophobicContact CG2-CG2 4.31Å; V227-L238 HydrophobicContact CG1-CD2 3.96Å; V227-L247 HydrophobicContact CG2-CD2 4.12Å; V227-F251 HydrophobicContact CG2-CE1 3.78Å; V227-F351 WeakPolarHBondContact O-CB 3.47Å; V227-I352 HydrophobicContact CB-CB 4.32Å; V227-I352 PolarHBondContact N-O 2.92Å; V227-I352 PolarHBondContact O-N 3.27Å; V227-I352 VanDerWaalsContact O-N 3.09Å
228L96.3Very high85.8Confident0 Ų036 Ų360%018%0.184CC..EExtended strand (participates in β ladder)trans-105.8122-173.8-17670.6000109.7C210 Q211 F345 K346 A347 H349 F351C210-L228 CarbonylContact C-O 3.38Å; C210-L228 VanDerWaalsContact CA-O 3.26Å; C210-L228 WeakPolarHBondContact CA-O 3.41Å; C210-L228 VanDerWaalsContact CB-O 3.32Å; C210-L228 WeakPolarHBondContact CB-O 3.39Å; Q211-L228 PolarHBondContact N-O 2.98Å; Q211-L228 PolarHBondContact O-N 2.88Å; L228-F345 HydrophobicContact CB-CE2 3.73Å; L228-F345 HydrophobicContact CB-CZ 3.63Å; L228-F345 HydrophobicContact CD2-CE1 4.5Å; L228-F345 HydrophobicContact CD2-CE2 4.21Å; L228-F345 HydrophobicContact CD2-CZ 4.21Å; L228-K346 VanDerWaalsContact CD2-O 3.29Å; L228-K346 WeakPolarHBondContact CD2-O 3.43Å; L228-A347 HydrophobicContact CD1-CB 4.02Å; L228-A347 HydrophobicContact CD2-CB 4.39Å; L228-H349 WeakPolarHBondContact CD1-NE2 3.49Å; L228-F351 HydrophobicContact CD1-CB 3.96Å; L228-F351 HydrophobicContact CD1-CD1 4.4Å
229P93.2Very high86.2Confident2 Ų236.6 Ų36.61%0.01319%0.187CC..EExtended strand (participates in β ladder)trans-55.9144.9171.7-25.135.1000112.5S231 L235 L238 H349 P350P229-S231 VanDerWaalsContact CB-O 3.23Å; P229-S231 WeakPolarHBondContact CB-O 3.27Å; P229-L235 HydrophobicContact CG-CB 3.92Å; P229-L235 HydrophobicContact CG-CD1 3.77Å; P229-L235 HydrophobicContact CG-CG 4.48Å; P229-L238 HydrophobicContact CB-CD2 4.31Å; P229-L238 HydrophobicContact CG-CD2 3.86Å; P229-H349 PolarHBondContact O-CE1 3.11Å; P229-H349 PolarHBondContact O-NE2 3.01Å; P229-P350 WeakPolarHBondContact CD-O 3.35Å
230K92.1Very high87.3Confident92 Ų9238.5 Ų38.540%0.419%0.186SC..SBendtrans-76-32.2170.1-82.3-175.7170178.90112.3N207 D209 Q211N207-K230 VanDerWaalsContact O-CD 3.31Å; N207-K230 WeakPolarHBondContact O-CD 3.44Å; N207-K230 WeakPolarHBondContact O-CE 3.27Å; N207-K230 PolarHBondContact O-NZ 2.92Å; D209-K230 PolarHBondContact O-N 3.19Å; Q211-K230 HydrophobicContact CG-CG 4.21Å
231S85.1Confident88.2Confident75 Ų7539.2 Ų39.252%0.52419%0.191SC..SBendtrans-82.8120.9166175.30000109.3P229 F233 G234P229-S231 VanDerWaalsContact CB-O 3.23Å; P229-S231 WeakPolarHBondContact CB-O 3.27Å; S231-F233 PolarHBondContact O-N 3.24Å; S231-G234 PolarHBondContact O-N 2.98Å
232R77.1Confident88.6Confident99 Ų9937.2 Ų37.237%0.37418%0.18SC..THydrogen-bonded Turntrans-53.1-22.8-175.2-169.7178.4-95.5163.8-4.3115F183 D348 H349F183-R232 HydrophobicContact CB-CG 4.04Å; F183-R232 HydrophobicContact CD2-CG 4.49Å; F183-R232 VanDerWaalsContact CD2-CZ 3.42Å; F183-R232 VanDerWaalsContact CE2-NH2 3.26Å; F183-R232 HydrophobicContact CG-CG 4.46Å; R232-D348 IonicContact CZ-OD1 3.73Å; R232-D348 IonicContact CZ-OD2 3.66Å; R232-D348 IonicContact NE-OD1 3.86Å; R232-D348 PolarHBondContact NE-OD1 3.33Å; R232-D348 IonicContact NH2-OD1 2.59Å; R232-D348 IonicContact NH2-OD2 3.44Å; R232-D348 PolarHBondContact NH2-OD2 2.95Å; R232-H349 HydrophobicContact CG-CB 3.6Å; R232-H349 VanDerWaalsContact O-CB 3.3Å; R232-H349 WeakPolarHBondContact O-CB 3.29Å; R232-H349 PolarHBondContact O-CD2 2.82Å; R232-H349 VanDerWaalsContact O-CG 3.3Å
233F73.6Confident88.9Confident44 Ų4439.1 Ų39.119%0.19319%0.194CC..THydrogen-bonded Turntrans-120.46177.5-46.4-61.4000112.6F183 S185 E186 S231 L235 E612F183-F233 HydrophobicContact CB-CE1 3.85Å; F183-F233 HydrophobicContact CB-CZ 4.03Å; S185-F233 WeakPolarHBondContact O-CE1 3.31Å; S185-F233 WeakPolarHBondContact O-CZ 3.43Å; E186-F233 HydrophobicContact CB-CD2 3.85Å; E186-F233 HydrophobicContact CB-CE2 3.78Å; E186-F233 HydrophobicContact CB-CG 4.35Å; E186-F233 HydrophobicContact CB-CZ 4.21Å; E186-F233 HydrophobicContact CG-CD2 4.08Å; E186-F233 HydrophobicContact CG-CE2 3.76Å; E186-F233 HydrophobicContact CG-CZ 4.45Å; S231-F233 PolarHBondContact O-N 3.24Å; F233-L235 PolarHBondContact O-N 2.78Å; F233-E612 VanDerWaalsContact O-OE1 3.09Å
234G78.8Confident88.8Confident9 Ų937.7 Ų37.79%0.09319%0.189CC..THydrogen-bonded Turntrans-78.711-176.200000115.7S231 Q236 Q237 L238S231-G234 PolarHBondContact O-N 2.98Å; G234-Q236 VanDerWaalsContact C-N 3.27Å; G234-Q236 PolarHBondContact O-N 3.38Å; G234-Q237 PolarHBondContact O-N 2.88Å; G234-Q237 VanDerWaalsContact O-N 3.09Å; G234-L238 PolarHBondContact O-N 3Å
235L84.7Confident88.7Confident4 Ų441.8 Ų41.82%0.02121%0.207CC..Hα-helixtrans-54.5-43.2-178.1-175.565.4000111.8P229 F233 Q237 L238 E239 P350 I352P229-L235 HydrophobicContact CG-CB 3.92Å; P229-L235 HydrophobicContact CG-CD1 3.77Å; P229-L235 HydrophobicContact CG-CG 4.48Å; F233-L235 PolarHBondContact O-N 2.78Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; L235-Q237 PolarHBondContact O-N 2.87Å; L235-L238 PolarHBondContact O-N 3.34Å; L235-E239 HydrophobicContact CD1-CG 4.48Å; L235-E239 HydrophobicContact CG-CG 4.37Å; L235-E239 WeakPolarHBondContact O-CB 3.47Å; L235-E239 VanDerWaalsContact O-CG 3.26Å; L235-E239 WeakPolarHBondContact O-CG 3.31Å; L235-E239 PolarHBondContact O-N 2.91Å; L235-P350 HydrophobicContact CD2-CB 3.71Å; L235-I352 HydrophobicContact CD1-CD1 4.44Å; L235-I352 HydrophobicContact CD1-CG1 3.74Å
236Q77.8Confident88.6Confident60 Ų6046.5 Ų46.528%0.2823%0.227SC..Hα-helixtrans-73.2-24.5-177.9-153.8-161.392.700113G234 K240G234-Q236 VanDerWaalsContact C-N 3.27Å; G234-Q236 PolarHBondContact O-N 3.38Å; Q236-K240 VanDerWaalsContact O-CD 3.31Å; Q236-K240 WeakPolarHBondContact O-CD 3.45Å; Q236-K240 WeakPolarHBondContact O-CE 3.3Å; Q236-K240 VanDerWaalsContact O-CG 3.29Å; Q236-K240 WeakPolarHBondContact O-CG 3.48Å
237Q83.4Confident88.4Confident114 Ų11446.5 Ų46.553%0.53323%0.227SC..Hα-helixtrans-73.8-44.3169.3-86.271.411.300110.4G234 L235 K240 T241G234-Q237 PolarHBondContact O-N 2.88Å; G234-Q237 VanDerWaalsContact O-N 3.09Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; L235-Q237 PolarHBondContact O-N 2.87Å; Q237-K240 PolarHBondContact O-N 3.06Å; Q237-T241 PolarHBondContact O-N 3.13Å
238L90.3Very high88.2Confident7 Ų746.7 Ų46.74%0.03723%0.228CC..Hα-helixtrans-61-47.7177.3-177.666.5000111D209 C210 V227 P229 G234 L235 K240 T241 L242D209-L238 HydrophobicContact CB-CD1 3.8Å; C210-L238 HydrophobicContact CB-CD1 3.92Å; C210-L238 HydrophobicContact CB-CD2 3.84Å; V227-L238 HydrophobicContact CG1-CD2 3.96Å; P229-L238 HydrophobicContact CB-CD2 4.31Å; P229-L238 HydrophobicContact CG-CD2 3.86Å; G234-L238 PolarHBondContact O-N 3Å; L235-L238 PolarHBondContact O-N 3.34Å; L238-K240 VanDerWaalsContact C-N 3.26Å; L238-K240 PolarHBondContact O-N 2.84Å; L238-T241 PolarHBondContact O-N 3.39Å; L238-T241 PolarHBondContact O-OG1 3.01Å; L238-L242 HydrophobicContact CD1-CD1 4.49Å; L238-L242 HydrophobicContact CD2-CD1 4.49Å; L238-L242 HydrophobicContact CG-CD1 3.94Å; L238-L242 HydrophobicContact CG-CG 4.41Å; L238-L242 WeakPolarHBondContact O-CG 3.22Å; L238-L242 PolarHBondContact O-N 3.01Å
239E89.8Confident88.1Confident22 Ų2250.4 Ų50.410%0.10325%0.245CC..Hα-helixtrans-50.9-44.7175-75.1170.2154.200111.6W12 Y15 L235 T241 L242 I352 R368W12-E239 HydrophobicContact CH2-CG 4.43Å; W12-E239 WeakPolarHBondContact CZ2-O 3.48Å; Y15-E239 HydrophobicContact CE1-CG 4.17Å; Y15-E239 WeakPolarHBondContact CE1-OE1 3.29Å; Y15-E239 PolarHBondContact OH-OE1 2.95Å; L235-E239 HydrophobicContact CD1-CG 4.48Å; L235-E239 HydrophobicContact CG-CG 4.37Å; L235-E239 WeakPolarHBondContact O-CB 3.47Å; L235-E239 VanDerWaalsContact O-CG 3.26Å; L235-E239 WeakPolarHBondContact O-CG 3.31Å; L235-E239 PolarHBondContact O-N 2.91Å; E239-T241 PolarHBondContact O-N 3.01Å; E239-T241 VanDerWaalsContact O-N 3.16Å; E239-L242 PolarHBondContact O-N 3.25Å; E239-L242 VanDerWaalsContact O-N 3.11Å; E239-I352 HydrophobicContact CG-CD1 3.96Å; E239-R368 IonicContact OE1-CZ 2.71Å; E239-R368 IonicContact OE1-NH1 3.18Å; E239-R368 PolarHBondContact OE1-NH1 2.87Å; E239-R368 IonicContact OE2-NH1 2.69Å
240K88.3Confident88.2Confident143 Ų14351 Ų5162%0.62225%0.248SC*.THydrogen-bonded Turntrans-66.7-13.4177.7-69.4166.4-169166.30115.1Q236 Q237 L238Q236-K240 VanDerWaalsContact O-CD 3.31Å; Q236-K240 WeakPolarHBondContact O-CD 3.45Å; Q236-K240 WeakPolarHBondContact O-CE 3.3Å; Q236-K240 VanDerWaalsContact O-CG 3.29Å; Q236-K240 WeakPolarHBondContact O-CG 3.48Å; Q237-K240 PolarHBondContact O-N 3.06Å; L238-K240 VanDerWaalsContact C-N 3.26Å; L238-K240 PolarHBondContact O-N 2.84Å
241T92.2Very high88.4Confident58 Ų5846.8 Ų46.836%0.35623%0.23SC..THydrogen-bonded Turntrans-97.3-14.917466.40000113.8Q237 L238 E239 K246Q237-T241 PolarHBondContact O-N 3.13Å; L238-T241 PolarHBondContact O-N 3.39Å; L238-T241 PolarHBondContact O-OG1 3.01Å; E239-T241 PolarHBondContact O-N 3.01Å; E239-T241 VanDerWaalsContact O-N 3.16Å; T241-K246 VanDerWaalsContact O-CD 3.25Å; T241-K246 WeakPolarHBondContact O-CD 3.4Å; T241-K246 PolarHBondContact O-NZ 3.16Å
242L93.5Very high88.8Confident16 Ų1648.6 Ų48.68%0.08423%0.229CC..  trans-90.3168.9-171.9-76.5173.5000112.4W12 L238 E239 K246 L247 L250 I352W12-L242 HydrophobicContact CH2-CB 3.73Å; W12-L242 HydrophobicContact CH2-CD1 3.98Å; W12-L242 HydrophobicContact CZ2-CB 3.62Å; W12-L242 HydrophobicContact CZ3-CB 4.48Å; L238-L242 HydrophobicContact CD1-CD1 4.49Å; L238-L242 HydrophobicContact CD2-CD1 4.49Å; L238-L242 HydrophobicContact CG-CD1 3.94Å; L238-L242 HydrophobicContact CG-CG 4.41Å; L238-L242 WeakPolarHBondContact O-CG 3.22Å; L238-L242 PolarHBondContact O-N 3.01Å; E239-L242 PolarHBondContact O-N 3.25Å; E239-L242 VanDerWaalsContact O-N 3.11Å; L242-K246 HydrophobicContact CD2-CB 4.41Å; L242-L247 HydrophobicContact CD1-CD2 4.23Å; L242-L247 HydrophobicContact CD2-CD2 4.25Å; L242-L250 HydrophobicContact CD2-CD1 3.59Å; L242-I352 HydrophobicContact CD1-CD1 3.57Å
243S93Very high89.7Confident43 Ų4348.9 Ų48.930%0.30123%0.234SC..  trans-159.6170.4163.873.90000108.2K245 K246 L247S243-K245 VanDerWaalsContact C-N 3.28Å; S243-K245 PolarHBondContact O-N 3.43Å; S243-K246 CarbonylContact O-C 3.5Å; S243-K246 WeakPolarHBondContact O-CA 3.35Å; S243-K246 PolarHBondContact O-N 2.99Å; S243-K246 PolarHBondContact OG-N 3.4Å; S243-L247 PolarHBondContact O-N 3.11Å
244G90.4Very high90.7Very high2 Ų247.4 Ų47.42%0.02123%0.229CC..Hα-helixtrans-54.7-42.1175.800000113.9A8 L247 L248A8-G244 WeakPolarHBondContact CB-O 3.38Å; A8-G244 WeakPolarHBondContact O-CA 3.31Å; G244-L247 PolarHBondContact O-N 2.82Å; G244-L248 PolarHBondContact O-N 2.81Å
245K91.8Very high91.4Very high86 Ų8655.5 Ų55.537%0.37426%0.257SS..Hα-helixtrans-59.9-45.9173178.7-176.5166.872.70111.2E5 S243 L247 L248 E249E5-K245 IonicContact OE1-NZ 3.23Å; E5-K245 PolarHBondContact OE1-NZ 2.93Å; S243-K245 VanDerWaalsContact C-N 3.28Å; S243-K245 PolarHBondContact O-N 3.43Å; K245-L247 PolarHBondContact O-N 3.27Å; K245-L248 WeakPolarHBondContact O-CB 3.41Å; K245-L248 PolarHBondContact O-N 3.07Å; K245-L248 VanDerWaalsContact O-N 3.14Å; K245-E249 WeakPolarHBondContact CE-OE1 3.25Å; K245-E249 IonicContact NZ-OE1 3.05Å; K245-E249 PolarHBondContact NZ-OE1 3.42Å; K245-E249 WeakPolarHBondContact O-CG 3.25Å; K245-E249 PolarHBondContact O-N 3.08Å
246K93.8Very high91.7Very high98 Ų9860.3 Ų60.343%0.42628%0.281SS..Hα-helixtrans-69-31-177.1-123.6167.7171.2-174.70113.4T241 L242 S243 E249 L250T241-K246 VanDerWaalsContact O-CD 3.25Å; T241-K246 WeakPolarHBondContact O-CD 3.4Å; T241-K246 PolarHBondContact O-NZ 3.16Å; L242-K246 HydrophobicContact CD2-CB 4.41Å; S243-K246 CarbonylContact O-C 3.5Å; S243-K246 WeakPolarHBondContact O-CA 3.35Å; S243-K246 PolarHBondContact O-N 2.99Å; S243-K246 PolarHBondContact OG-N 3.4Å; K246-E249 PolarHBondContact O-N 3.25Å; K246-L250 WeakPolarHBondContact O-CB 3.48Å; K246-L250 WeakPolarHBondContact O-CG 3.38Å; K246-L250 PolarHBondContact O-N 3.43Å
247L94.3Very high92.4Very high1 Ų159.7 Ų59.71%0.00528%0.278CS..Hα-helixtrans-62.6-48.8167.4-75.6177.1000111.1W12 V227 L242 S243 G244 K245 E249 L250 F251 L366W12-L247 HydrophobicContact CE3-CD1 3.63Å; W12-L247 HydrophobicContact CE3-CG 4.45Å; W12-L247 HydrophobicContact CZ3-CD1 3.71Å; W12-L247 HydrophobicContact CZ3-CG 4.37Å; V227-L247 HydrophobicContact CG2-CD2 4.12Å; L242-L247 HydrophobicContact CD1-CD2 4.23Å; L242-L247 HydrophobicContact CD2-CD2 4.25Å; S243-L247 PolarHBondContact O-N 3.11Å; G244-L247 PolarHBondContact O-N 2.82Å; K245-L247 PolarHBondContact O-N 3.27Å; L247-E249 VanDerWaalsContact C-N 3.27Å; L247-E249 PolarHBondContact O-N 3.04Å; L247-L250 PolarHBondContact O-N 3.29Å; L247-F251 HydrophobicContact CB-CE2 3.94Å; L247-F251 HydrophobicContact CB-CZ 3.93Å; L247-F251 HydrophobicContact CD2-CE1 4.32Å; L247-F251 HydrophobicContact CD2-CZ 4Å; L247-F251 HydrophobicContact CG-CZ 4.42Å; L247-F251 WeakPolarHBondContact O-CD1 3.44Å; L247-F251 VanDerWaalsContact O-CD2 3.23Å; L247-F251 WeakPolarHBondContact O-CD2 3.4Å; L247-F251 WeakPolarHBondContact O-CG 3.46Å; L247-F251 PolarHBondContact O-N 2.9Å; L247-L366 HydrophobicContact CD1-CD1 4Å
248L93.3Very high92.8Very high6 Ų655 Ų553%0.03126%0.257CS..Hα-helixtrans-61.9-34.4176.5-67.5-177.5000112.6A8 G244 K245 F251 K252 V356 N361 I363A8-L248 HydrophobicContact CB-CD1 3.72Å; A8-L248 HydrophobicContact CB-CG 4.09Å; G244-L248 PolarHBondContact O-N 2.81Å; K245-L248 WeakPolarHBondContact O-CB 3.41Å; K245-L248 PolarHBondContact O-N 3.07Å; K245-L248 VanDerWaalsContact O-N 3.14Å; L248-F251 HydrophobicContact CD2-CD2 4.25Å; L248-K252 WeakPolarHBondContact O-CB 3.43Å; L248-K252 WeakPolarHBondContact O-CD 3.3Å; L248-K252 WeakPolarHBondContact O-CG 3.4Å; L248-K252 PolarHBondContact O-N 3.37Å; L248-V356 HydrophobicContact CD2-CG1 4.48Å; L248-N361 HydrophobicContact CD2-CB 4.48Å; L248-N361 WeakPolarHBondContact CD2-O 3.5Å; L248-I363 HydrophobicContact CD2-CD1 4.24Å; L248-I363 HydrophobicContact CD2-CG1 4.05Å
249E94.3Very high93Very high78 Ų7854.7 Ų54.736%0.36426%0.255SS..Hα-helixtrans-64.8-52172.9-71.3168.3157.800111.1K245 K246 L247 F251 K252 E253K245-E249 WeakPolarHBondContact CE-OE1 3.25Å; K245-E249 IonicContact NZ-OE1 3.05Å; K245-E249 PolarHBondContact NZ-OE1 3.42Å; K245-E249 WeakPolarHBondContact O-CG 3.25Å; K245-E249 PolarHBondContact O-N 3.08Å; K246-E249 PolarHBondContact O-N 3.25Å; L247-E249 VanDerWaalsContact C-N 3.27Å; L247-E249 PolarHBondContact O-N 3.04Å; E249-F251 VanDerWaalsContact C-N 3.3Å; E249-F251 PolarHBondContact O-N 3.22Å; E249-K252 PolarHBondContact O-N 2.86Å; E249-K252 VanDerWaalsContact O-N 3.08Å; E249-E253 PolarHBondContact O-N 2.88Å
250L95.6Very high93.3Very high14 Ų1459.5 Ų59.57%0.07327%0.272CS..Hα-helixtrans-55.7-40.7174.8-77.3170.3000113.2V212 L242 K246 L247 E253V212-L250 HydrophobicContact CG2-CB 4.35Å; V212-L250 HydrophobicContact CG2-CD2 4.25Å; L242-L250 HydrophobicContact CD2-CD1 3.59Å; K246-L250 WeakPolarHBondContact O-CB 3.48Å; K246-L250 WeakPolarHBondContact O-CG 3.38Å; K246-L250 PolarHBondContact O-N 3.43Å; L247-L250 PolarHBondContact O-N 3.29Å; L250-E253 PolarHBondContact O-N 2.98Å
251F95.4Very high93.6Very high3 Ų352.7 Ų52.71%0.01324%0.243CC..Hα-helixtrans-67-39177.4-58.1-21.1000111.7V212 Y225 V227 L247 L248 E249 E253 T254 A354 V356V212-F251 HydrophobicContact CG1-CD1 4.3Å; Y225-F251 HydrophobicContact CD1-CB 4.33Å; Y225-F251 AromaticContact CD1-CD1 3.61Å; Y225-F251 HydrophobicContact CD1-CD1 3.61Å; Y225-F251 HydrophobicContact CD1-CE1 4.24Å; Y225-F251 HydrophobicContact CD1-CG 4.11Å; Y225-F251 HydrophobicContact CD2-CB 4.14Å; Y225-F251 AromaticContact CD2-CD1 3.83Å; Y225-F251 HydrophobicContact CD2-CD1 3.83Å; Y225-F251 AromaticContact CD2-CD2 3.99Å; Y225-F251 HydrophobicContact CD2-CD2 3.99Å; Y225-F251 HydrophobicContact CD2-CE1 4.24Å; Y225-F251 HydrophobicContact CD2-CE2 4.38Å; Y225-F251 AromaticContact CD2-CG 3.7Å; Y225-F251 HydrophobicContact CD2-CG 3.7Å; Y225-F251 HydrophobicContact CE1-CB 4.03Å; Y225-F251 HydrophobicContact CE1-CD1 4.18Å; Y225-F251 HydrophobicContact CE1-CG 4.31Å; Y225-F251 HydrophobicContact CE2-CB 3.81Å; Y225-F251 HydrophobicContact CE2-CD1 4.36Å; Y225-F251 HydrophobicContact CE2-CD2 4.32Å; Y225-F251 AromaticContact CE2-CG 3.91Å; Y225-F251 HydrophobicContact CE2-CG 3.91Å; Y225-F251 HydrophobicContact CG-CB 4.37Å; Y225-F251 AromaticContact CG-CD1 3.4Å; Y225-F251 HydrophobicContact CG-CD1 3.4Å; Y225-F251 VanDerWaalsContact CG-CD1 3.4Å; Y225-F251 HydrophobicContact CG-CD2 4.38Å; Y225-F251 AromaticContact CG-CE1 3.71Å; Y225-F251 HydrophobicContact CG-CE1 3.71Å; Y225-F251 AromaticContact CG-CG 3.79Å; Y225-F251 HydrophobicContact CG-CG 3.79Å; Y225-F251 HydrophobicContact CG-CZ 4.32Å; Y225-F251 PolarHBondContact OH-O 2.81Å; V227-F251 HydrophobicContact CG2-CE1 3.78Å; L247-F251 HydrophobicContact CB-CE2 3.94Å; L247-F251 HydrophobicContact CB-CZ 3.93Å; L247-F251 HydrophobicContact CD2-CE1 4.32Å; L247-F251 HydrophobicContact CD2-CZ 4Å; L247-F251 HydrophobicContact CG-CZ 4.42Å; L247-F251 WeakPolarHBondContact O-CD1 3.44Å; L247-F251 VanDerWaalsContact O-CD2 3.23Å; L247-F251 WeakPolarHBondContact O-CD2 3.4Å; L247-F251 WeakPolarHBondContact O-CG 3.46Å; L247-F251 PolarHBondContact O-N 2.9Å; L248-F251 HydrophobicContact CD2-CD2 4.25Å; E249-F251 VanDerWaalsContact C-N 3.3Å; E249-F251 PolarHBondContact O-N 3.22Å; F251-E253 VanDerWaalsContact C-N 3.33Å; F251-T254 PolarHBondContact O-N 3.45Å; F251-T254 PolarHBondContact O-OG1 2.78Å; F251-A354 HydrophobicContact CE2-CB 4.06Å; F251-A354 HydrophobicContact CZ-CB 3.82Å; F251-V356 HydrophobicContact CD2-CG2 3.84Å; F251-V356 HydrophobicContact CE2-CG2 3.67Å
252K93.4Very high93.8Very high114 Ų11450.8 Ų50.850%0.49623%0.231SC..Hα-helixtrans-70.3-25.2175.7-74.7170.8-178.6-1790113.4L248 E249 T254 N361L248-K252 WeakPolarHBondContact O-CB 3.43Å; L248-K252 WeakPolarHBondContact O-CD 3.3Å; L248-K252 WeakPolarHBondContact O-CG 3.4Å; L248-K252 PolarHBondContact O-N 3.37Å; E249-K252 PolarHBondContact O-N 2.86Å; E249-K252 VanDerWaalsContact O-N 3.08Å; K252-T254 VanDerWaalsContact C-N 3.31Å; K252-N361 WeakPolarHBondContact CE-OD1 3.26Å
253E95.6Very high93.8Very high104 Ų10450.1 Ų50.149%0.48623%0.228SC..THydrogen-bonded Turntrans-79.3-9.5175.4-71.5-169.3178.800114.3H205 E249 L250 F251H205-E253 IonicContact CE1-OE2 2.75Å; H205-E253 PolarHBondContact CE1-OE2 2.61Å; H205-E253 IonicContact ND1-OE2 2.78Å; H205-E253 IonicContact NE2-OE2 2.93Å; E249-E253 PolarHBondContact O-N 2.88Å; L250-E253 PolarHBondContact O-N 2.98Å; F251-E253 VanDerWaalsContact C-N 3.33Å
254T95.2Very high93.4Very high14 Ų1448.1 Ų48.19%0.08621%0.213CC..  trans-68.9137.9177.563.40000113.4Y204 H205 V212 Y225 F251 K252Y204-T254 WeakPolarHBondContact O-CA 3.19Å; H205-T254 HydrophobicContact CB-CG2 3.94Å; V212-T254 HydrophobicContact CB-CG2 4.23Å; V212-T254 HydrophobicContact CG1-CG2 3.77Å; Y225-T254 HydrophobicContact CD1-CG2 4.38Å; Y225-T254 HydrophobicContact CE1-CG2 3.86Å; F251-T254 PolarHBondContact O-N 3.45Å; F251-T254 PolarHBondContact O-OG1 2.78Å; K252-T254 VanDerWaalsContact C-N 3.31Å
255R93.5Very high93.1Very high179 Ų17950.2 Ų50.268%0.67522%0.222SC*.EExtended strand (participates in β ladder)trans-124.2156.2-178.5-59.3179.5-172.9-121.3-4.4110.3F203 Y204 E257F203-R255 CarbonylContact C-O 3.51Å; F203-R255 WeakPolarHBondContact CA-O 3.32Å; Y204-R255 PolarHBondContact N-O 3.08Å; Y204-R255 PolarHBondContact O-N 2.99Å; R255-E257 PolarHBondContact O-N 2.98Å
256I91.6Very high92.3Very high104 Ų10446.3 Ų46.353%0.53321%0.205SC..EExtended strand (participates in β ladder)trans-71.5120174.5-66.6164.6000108.6T200 Y202 F203T200-I256 WeakPolarHBondContact O-CG2 3.29Å; Y202-I256 WeakPolarHBondContact O-CA 3.43Å; F203-I256 HydrophobicContact CD1-CG1 4.21Å; F203-I256 HydrophobicContact CE1-CD1 4.31Å; F203-I256 HydrophobicContact CE1-CG1 3.86Å; F203-I256 HydrophobicContact CE2-CG1 4.47Å; F203-I256 HydrophobicContact CZ-CD1 4.18Å; F203-I256 HydrophobicContact CZ-CG1 4Å
257E92.1Very high91.5Very high47 Ų4745 Ų4522%0.2220%0.199CC..EExtended strand (participates in β ladder)trans-136.6164.9-174.5-69.1-69.7172.500111.4T200 Y202 R255 V259 Y343T200-E257 CarbonylContact C-O 3.55Å; Y202-E257 PolarHBondContact O-N 2.68Å; R255-E257 PolarHBondContact O-N 2.98Å; E257-V259 HydrophobicContact CB-CG2 4.09Å; E257-V259 PolarHBondContact O-N 3.18Å; E257-Y343 HydrophobicContact CB-CD2 4.18Å; E257-Y343 HydrophobicContact CB-CE2 4.33Å; E257-Y343 HydrophobicContact CG-CD2 4.49Å; E257-Y343 HydrophobicContact CG-CE2 4.19Å
258D92Very high90.3Very high17 Ų1745.6 Ų45.69%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-80.1110.3169-179.431.3000110.3H198 T200 M340 T342 Y343H198-D258 IonicContact CD2-OD1 3Å; H198-D258 PolarHBondContact CD2-OD1 3.34Å; H198-D258 IonicContact CE1-OD1 2.69Å; H198-D258 IonicContact NE2-OD1 3.02Å; H198-D258 PolarHBondContact NE2-OD1 2.98Å; H198-D258 IonicContact NE2-OD2 3.43Å; T200-D258 HydrophobicContact CG2-CB 4.12Å; D258-M340 HydrophobicContact CB-CB 4.5Å; D258-T342 CarbonylContact O-C 3.5Å; D258-T342 WeakPolarHBondContact O-CA 3.28Å; D258-T342 WeakPolarHBondContact OD2-CA 3.49Å; D258-T342 WeakPolarHBondContact OD2-CB 3.19Å; D258-T342 VanDerWaalsContact OD2-CG2 3.29Å; D258-T342 WeakPolarHBondContact OD2-CG2 3.4Å; D258-T342 PolarHBondContact OD2-OG1 3.06Å; D258-Y343 PolarHBondContact O-N 3.25Å
259V93.9Very high89.3Confident0 Ų049.8 Ų49.80%022%0.222CC..EExtended strand (participates in β ladder)trans-128.8128.3-173.9-1660000112H198 G199 Y202 Y204 L213 E257 V261 F345H198-V259 PolarHBondContact CD2-O 3.43Å; G199-V259 PolarHBondContact N-O 3.09Å; G199-V259 PolarHBondContact O-N 2.68Å; Y202-V259 HydrophobicContact CD2-CB 3.99Å; Y202-V259 HydrophobicContact CG-CB 4.41Å; Y204-V259 HydrophobicContact CD2-CG1 4.19Å; Y204-V259 HydrophobicContact CD2-CG2 4.02Å; Y204-V259 HydrophobicContact CG-CG2 4.06Å; L213-V259 HydrophobicContact CD1-CG1 4.38Å; E257-V259 HydrophobicContact CB-CG2 4.09Å; E257-V259 PolarHBondContact O-N 3.18Å; V259-V261 HydrophobicContact CB-CG2 4.11Å; V259-V261 HydrophobicContact CG1-CG2 3.78Å; V259-V261 PolarHBondContact O-N 2.82Å; V259-F345 HydrophobicContact CG1-CB 3.95Å
260R95.5Very high88.2Confident123 Ų12348.1 Ų48.146%0.46421%0.213SC..EExtended strand (participates in β ladder)trans-86.4104.4164.7-150.7177.9-59.7129.53.8108.6H198 T342 Y343 T344 F345H198-R260 HydrophobicContact CB-CG 4.29Å; R260-T342 HydrophobicContact CB-CG2 4.44Å; R260-Y343 PolarHBondContact N-O 2.81Å; R260-T344 WeakPolarHBondContact O-CA 2.99Å; R260-F345 PolarHBondContact O-N 3Å
261V95.8Very high87.3Confident0 Ų051.1 Ų51.10%023%0.227CC..EExtended strand (participates in β ladder)trans-96135.5-172.3175.80000110.5F172 K196 A197 Y202 L213 V259 I263F172-V261 HydrophobicContact CE1-CG1 3.95Å; F172-V261 HydrophobicContact CZ-CG1 4.02Å; K196-V261 WeakPolarHBondContact CA-O 3.25Å; A197-V261 PolarHBondContact N-O 2.77Å; A197-V261 PolarHBondContact O-N 2.77Å; Y202-V261 HydrophobicContact CD1-CG2 4.28Å; Y202-V261 HydrophobicContact CD2-CG2 3.61Å; Y202-V261 HydrophobicContact CE1-CG2 4.26Å; Y202-V261 HydrophobicContact CE2-CB 4.3Å; Y202-V261 HydrophobicContact CE2-CG2 3.56Å; Y202-V261 HydrophobicContact CG-CG2 3.99Å; L213-V261 HydrophobicContact CD1-CG2 3.93Å; L213-V261 HydrophobicContact CD2-CB 4.35Å; L213-V261 HydrophobicContact CD2-CG1 3.58Å; L213-V261 HydrophobicContact CD2-CG2 3.82Å; V259-V261 HydrophobicContact CB-CG2 4.11Å; V259-V261 HydrophobicContact CG1-CG2 3.78Å; V259-V261 PolarHBondContact O-N 2.82Å; V261-I263 HydrophobicContact CG1-CG1 4.35Å; V261-I263 HydrophobicContact CG1-CG2 4.06Å
262T96Very high86.5Confident18 Ų1851.3 Ų51.311%0.1123%0.228CC..EExtended strand (participates in β ladder)trans-142.5101.5171.5-620000107.7M194 M195 K196 F345 K346 A347M194-T262 HydrophobicContact CB-CG2 3.69Å; M194-T262 HydrophobicContact CG-CG2 3.94Å; M194-T262 HydrophobicContact SD-CG2 4.46Å; M195-T262 WeakPolarHBondContact O-CA 3.15Å; K196-T262 HydrophobicContact CD-CG2 4.36Å; K196-T262 HydrophobicContact CG-CG2 3.84Å; T262-F345 PolarHBondContact N-O 3.46Å; T262-K346 HydrophobicContact CG2-CG 3.74Å; T262-K346 CarbonylContact O-C 3.56Å; T262-K346 WeakPolarHBondContact O-CA 3.41Å; T262-A347 PolarHBondContact O-N 2.91Å
263I93.8Very high85.9Confident2 Ų250.4 Ų50.41%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-124.6150.6178.559.6148.6000110.8F172 M194 M195 L213 L215 V261 K265 F345 A347F172-I263 HydrophobicContact CE1-CG1 4.34Å; F172-I263 HydrophobicContact CE2-CD1 4.44Å; F172-I263 HydrophobicContact CZ-CD1 4.12Å; F172-I263 HydrophobicContact CZ-CG1 3.9Å; M194-I263 CarbonylContact C-O 3.48Å; M194-I263 WeakPolarHBondContact CA-O 3.38Å; M194-I263 VanDerWaalsContact SD-C 3.56Å; M195-I263 HydrophobicContact CE-CD1 3.58Å; M195-I263 HydrophobicContact CE-CG1 3.93Å; M195-I263 PolarHBondContact N-O 2.98Å; M195-I263 PolarHBondContact O-N 3.32Å; L213-I263 HydrophobicContact CD2-CG2 4.19Å; L215-I263 HydrophobicContact CD1-CD1 3.56Å; V261-I263 HydrophobicContact CG1-CG1 4.35Å; V261-I263 HydrophobicContact CG1-CG2 4.06Å; I263-K265 PolarHBondContact O-N 2.82Å; I263-F345 HydrophobicContact CG2-CD1 3.99Å; I263-F345 HydrophobicContact CG2-CE1 3.82Å; I263-A347 HydrophobicContact CB-CB 4.5Å; I263-A347 HydrophobicContact CG2-CB 4.04Å
264P84.6Confident85.5Confident0 Ų045.6 Ų45.60%020%0.203CC..EExtended strand (participates in β ladder)trans-68.5137.7175.726-31.4000110.5I192 M194 F266 F351 F369I192-P264 HydrophobicContact CD1-CB 3.62Å; I192-P264 HydrophobicContact CD1-CG 4.35Å; I192-P264 HydrophobicContact CG1-CB 4.33Å; M194-P264 VanDerWaalsContact SD-CA 3.51Å; M194-P264 HydrophobicContact SD-CB 3.77Å; M194-P264 HydrophobicContact SD-CG 4.28Å; P264-F266 HydrophobicContact CG-CD1 4.2Å; P264-F266 WeakPolarHBondContact O-CD1 3.08Å; P264-F351 HydrophobicContact CG-CE1 3.58Å; P264-F351 HydrophobicContact CG-CZ 3.74Å; P264-F369 HydrophobicContact CB-CE1 4.26Å; P264-F369 HydrophobicContact CG-CD1 4.11Å; P264-F369 HydrophobicContact CG-CE1 3.92Å
265K83.7Confident85.2Confident47 Ų4747.3 Ų47.320%0.20421%0.21CC..  trans-56.1142.2147.1-175.4167-170.91600107.5P193 M195 I263 V316 N317 E318 K419P193-K265 PolarHBondContact O-N 3.18Å; M195-K265 HydrophobicContact CG-CB 3.91Å; M195-K265 HydrophobicContact SD-CB 3.99Å; M195-K265 HydrophobicContact SD-CG 4.44Å; I263-K265 PolarHBondContact O-N 2.82Å; K265-V316 CarbonylContact C-O 3.54Å; K265-V316 WeakPolarHBondContact CA-O 3.3Å; K265-V316 WeakPolarHBondContact CG-O 3.35Å; K265-N317 HydrophobicContact CG-CB 4.34Å; K265-E318 WeakPolarHBondContact CE-OE2 3.03Å; K265-E318 IonicContact NZ-OE1 2.65Å; K265-E318 PolarHBondContact NZ-OE1 2.86Å; K265-E318 IonicContact NZ-OE2 2.62Å; K265-E318 PolarHBondContact NZ-OE2 3.36Å; K265-K419 HydrophobicContact CB-CD 4.02Å; K265-K419 HydrophobicContact CG-CD 4.34Å; K265-K419 WeakPolarHBondContact O-CD 3.33Å; K265-K419 WeakPolarHBondContact O-CE 3.16Å; K265-K419 PolarHBondContact O-NZ 2.82Å
266F75.7Confident84.8Confident3 Ų344.2 Ų44.21%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-162.4155.317262.2-96.5000112.4M224 P264 L268 I314 V316 F351 F353 F369M224-F266 HydrophobicContact CE-CE1 4.02Å; M224-F266 HydrophobicContact CE-CZ 3.66Å; P264-F266 HydrophobicContact CG-CD1 4.2Å; P264-F266 WeakPolarHBondContact O-CD1 3.08Å; F266-L268 HydrophobicContact CD2-CD1 4.23Å; F266-L268 HydrophobicContact CD2-CG 4.06Å; F266-L268 HydrophobicContact CE2-CD1 4.11Å; F266-L268 HydrophobicContact CE2-CG 4.39Å; F266-I314 HydrophobicContact CE2-CG2 4.4Å; F266-V316 HydrophobicContact CD1-CB 4.13Å; F266-V316 HydrophobicContact CD1-CG1 4.19Å; F266-V316 HydrophobicContact CD2-CB 4.3Å; F266-V316 HydrophobicContact CD2-CG2 4.33Å; F266-V316 HydrophobicContact CE1-CB 4.07Å; F266-V316 HydrophobicContact CE1-CG1 4Å; F266-V316 HydrophobicContact CE1-CG2 4.14Å; F266-V316 HydrophobicContact CE2-CB 4.25Å; F266-V316 HydrophobicContact CE2-CG2 3.84Å; F266-V316 HydrophobicContact CG-CB 4.26Å; F266-V316 HydrophobicContact CZ-CB 4.15Å; F266-V316 HydrophobicContact CZ-CG1 4.45Å; F266-V316 HydrophobicContact CZ-CG2 3.75Å; F266-V316 PolarHBondContact N-O 3.06Å; F266-V316 PolarHBondContact O-N 2.66Å; F266-F351 HydrophobicContact CD1-CZ 4.33Å; F266-F351 HydrophobicContact CE1-CE2 4.06Å; F266-F351 AromaticContact CE1-CZ 3.81Å; F266-F351 HydrophobicContact CE1-CZ 3.81Å; F266-F351 HydrophobicContact CZ-CE2 4.37Å; F266-F353 HydrophobicContact CE2-CD1 4.42Å; F266-F353 AromaticContact CE2-CE1 3.92Å; F266-F353 HydrophobicContact CE2-CE1 3.92Å; F266-F353 HydrophobicContact CE2-CE2 4.39Å; F266-F353 AromaticContact CE2-CZ 3.9Å; F266-F353 HydrophobicContact CE2-CZ 3.9Å; F266-F353 AromaticContact CZ-CD1 3.96Å; F266-F353 HydrophobicContact CZ-CD1 3.96Å; F266-F353 HydrophobicContact CZ-CD2 4.41Å; F266-F353 AromaticContact CZ-CE1 3.93Å; F266-F353 HydrophobicContact CZ-CE1 3.93Å; F266-F353 HydrophobicContact CZ-CE2 4.39Å; F266-F353 HydrophobicContact CZ-CG 4.2Å; F266-F353 HydrophobicContact CZ-CZ 4.15Å; F266-F369 HydrophobicContact CB-CD2 4.02Å; F266-F369 HydrophobicContact CB-CE2 3.46Å; F266-F369 VanDerWaalsContact CB-CE2 3.46Å; F266-F369 HydrophobicContact CB-CZ 3.85Å; F266-F369 HydrophobicContact CD1-CD2 4.3Å; F266-F369 HydrophobicContact CD1-CE2 4.46Å; F266-F369 HydrophobicContact CD1-CG 4.47Å; F266-F369 HydrophobicContact CD2-CD2 4.02Å; F266-F369 HydrophobicContact CD2-CE2 4.29Å; F266-F369 AromaticContact CG-CD2 3.88Å; F266-F369 HydrophobicContact CG-CD2 3.88Å; F266-F369 AromaticContact CG-CE2 3.87Å; F266-F369 HydrophobicContact CG-CE2 3.87Å; F266-F369 HydrophobicContact CG-CG 4.49Å; F266-F369 HydrophobicContact CG-CZ 4.45Å
267K75.9Confident84.4Confident70 Ų7039.8 Ų39.830%0.30419%0.185SC..EExtended strand (participates in β ladder)trans-123134171.5-176.9175.3-177.4160.40109.4I314 D315K267-I314 WeakPolarHBondContact CA-O 3.16Å; K267-I314 WeakPolarHBondContact CG-O 3.39Å; K267-D315 HydrophobicContact CG-CB 4.41Å
268L69.4Low84.4Confident14 Ų1437.7 Ų37.77%0.07318%0.175CC..EExtended strand (participates in β ladder)trans-130.2132.7171.9-64174.2000109.7V24 F266 I314 F353 F369V24-L268 HydrophobicContact CB-CB 4.36Å; V24-L268 HydrophobicContact CB-CD1 4.33Å; V24-L268 HydrophobicContact CG1-CB 3.72Å; F266-L268 HydrophobicContact CD2-CD1 4.23Å; F266-L268 HydrophobicContact CD2-CG 4.06Å; F266-L268 HydrophobicContact CE2-CD1 4.11Å; F266-L268 HydrophobicContact CE2-CG 4.39Å; L268-I314 HydrophobicContact CB-CG2 3.79Å; L268-I314 PolarHBondContact N-O 3.32Å; L268-I314 PolarHBondContact O-N 3.2Å; L268-F353 HydrophobicContact CD1-CE1 3.9Å; L268-F353 HydrophobicContact CD1-CZ 3.94Å; L268-F369 HydrophobicContact CD1-CD2 4.37Å; L268-F369 HydrophobicContact CD2-CD2 4.47Å
269E71.9Confident84.3Confident95 Ų9540.2 Ų40.244%0.44419%0.185SC..EExtended strand (participates in β ladder)trans-124.5130.3164.9-169.9178151.400106.2K311 T312 F313E269-K311 WeakPolarHBondContact OE1-CE 3.31Å; E269-K311 IonicContact OE1-NZ 3.14Å; E269-T312 VanDerWaalsContact CA-O 3.3Å; E269-T312 WeakPolarHBondContact CA-O 3.12Å; E269-F313 HydrophobicContact CB-CD2 4.5Å; E269-F313 HydrophobicContact CG-CD2 4.35Å
270K71.6Confident84Confident42 Ų4244.2 Ų44.218%0.18321%0.213CC..EExtended strand (participates in β ladder)trans-140.1137.4-178.4-169.277.3171.7-169.50109.2D21 V24 M272 K311 T312D21-K270 VanDerWaalsContact CG-NZ 3.26Å; D21-K270 IonicContact OD1-NZ 2.64Å; D21-K270 PolarHBondContact OD1-NZ 3Å; D21-K270 IonicContact OD2-NZ 2.72Å; D21-K270 PolarHBondContact OD2-NZ 3.38Å; V24-K270 HydrophobicContact CG1-CB 4.4Å; K270-M272 HydrophobicContact CG-CG 4.38Å; K270-K311 WeakPolarHBondContact O-CA 3.45Å; K270-T312 PolarHBondContact N-O 3.28Å; K270-T312 PolarHBondContact O-N 3.16Å
271E77.7Confident83.7Confident77 Ų7740.7 Ų40.736%0.3620%0.204SC..EExtended strand (participates in β ladder)trans-116.9143.5175.7-167.9168.915400108.3H310 K311E271-H310 CarbonylContact C-O 3.57Å; E271-H310 WeakPolarHBondContact CA-O 3.49Å; E271-K311 HydrophobicContact CB-CD 4.16Å; E271-K311 HydrophobicContact CB-CG 4.27Å; E271-K311 HydrophobicContact CG-CB 4.45Å; E271-K311 HydrophobicContact CG-CD 4Å; E271-K311 HydrophobicContact CG-CG 4.36Å; E271-K311 VanDerWaalsContact OE2-CD 3.3Å; E271-K311 WeakPolarHBondContact OE2-CD 3.26Å; E271-K311 VanDerWaalsContact OE2-CE 3.27Å; E271-K311 WeakPolarHBondContact OE2-CE 3.32Å; E271-K311 IonicContact OE2-NZ 2.73Å; E271-K311 PolarHBondContact OE2-NZ 2.7Å
272M77.3Confident83.5Confident7 Ų742.4 Ų42.43%0.03422%0.221CC..EExtended strand (participates in β ladder)trans-142.2114.7-171.7-69.3173.558.500110Q18 F25 K270 L274 H310Q18-M272 VanDerWaalsContact CD-CE 3.48Å; Q18-M272 HydrophobicContact CG-CE 4.2Å; F25-M272 HydrophobicContact CB-SD 3.71Å; F25-M272 HydrophobicContact CG-SD 4.28Å; K270-M272 HydrophobicContact CG-CG 4.38Å; M272-L274 HydrophobicContact CB-CD2 4.27Å; M272-L274 HydrophobicContact CE-CD2 4Å; M272-L274 PolarHBondContact O-N 2.86Å; M272-H310 HydrophobicContact CB-CB 4.35Å; M272-H310 PolarHBondContact N-O 2.89Å; M272-H310 PolarHBondContact O-N 3.11Å
273H80.9Confident83.5Confident95 Ų9541.8 Ų41.844%0.4422%0.217SC..EExtended strand (participates in β ladder)trans-74.2105.6160-68.6-105.2000107.7E275 E307 L309H273-E275 VanDerWaalsContact C-N 3.25Å; H273-E275 PolarHBondContact O-N 2.97Å; H273-E307 IonicContact CE1-OE1 3.91Å; H273-E307 IonicContact CE1-OE2 3Å; H273-E307 IonicContact ND1-OE1 2.66Å; H273-E307 PolarHBondContact ND1-OE1 3.42Å; H273-E307 IonicContact ND1-OE2 3.58Å; H273-E307 PolarHBondContact ND1-OE2 2.87Å; H273-L309 VanDerWaalsContact CE1-CD2 3.41Å; H273-L309 WeakPolarHBondContact CE1-CD2 3.41Å; H273-L309 VanDerWaalsContact ND1-CD2 3.27Å; H273-L309 WeakPolarHBondContact ND1-CD2 3.23Å
274L87.8Confident83.5Confident3 Ų344.5 Ų44.52%0.01623%0.234CC..Hα-helixtrans-69.9-21.1-173.9-63176.4000112.7I30 M272 N276 T277 L278 A308 H310I30-L274 HydrophobicContact CD1-CD2 4.13Å; I30-L274 HydrophobicContact CG1-CD1 4.45Å; I30-L274 HydrophobicContact CG1-CD2 4.4Å; I30-L274 HydrophobicContact CG2-CD1 4.04Å; I30-L274 HydrophobicContact CG2-CD2 4.47Å; M272-L274 HydrophobicContact CB-CD2 4.27Å; M272-L274 HydrophobicContact CE-CD2 4Å; M272-L274 PolarHBondContact O-N 2.86Å; L274-N276 PolarHBondContact O-N 2.81Å; L274-T277 CarbonylContact O-C 3.45Å; L274-T277 WeakPolarHBondContact O-CB 3.32Å; L274-T277 PolarHBondContact O-N 2.81Å; L274-T277 VanDerWaalsContact O-N 3.14Å; L274-L278 HydrophobicContact CB-CD1 3.76Å; L274-L278 HydrophobicContact CB-CG 4.36Å; L274-L278 WeakPolarHBondContact O-CB 3.41Å; L274-L278 VanDerWaalsContact O-CG 3.32Å; L274-L278 WeakPolarHBondContact O-CG 3.48Å; L274-L278 PolarHBondContact O-N 2.9Å; L274-A308 HydrophobicContact CB-CB 4.05Å; L274-A308 WeakPolarHBondContact CB-O 3.34Å; L274-A308 PolarHBondContact N-O 3.06Å; L274-H310 HydrophobicContact CD1-CB 4.09Å; L274-H310 HydrophobicContact CD2-CB 4.02Å; L274-H310 HydrophobicContact CG-CB 4.1Å
275E88.8Confident84.1Confident50 Ų5045.3 Ų45.323%0.23424%0.238CC..Hα-helixtrans-49.6-58.2-178.5-178.8-171.2173.500112.3H273 T277 L278 K279 F287H273-E275 VanDerWaalsContact C-N 3.25Å; H273-E275 PolarHBondContact O-N 2.97Å; E275-T277 VanDerWaalsContact C-N 3.28Å; E275-T277 PolarHBondContact O-N 2.82Å; E275-L278 PolarHBondContact O-N 3.24Å; E275-L278 VanDerWaalsContact O-N 3.16Å; E275-K279 HydrophobicContact CG-CD 3.93Å; E275-K279 HydrophobicContact CG-CG 4.41Å; E275-K279 WeakPolarHBondContact O-CB 3.45Å; E275-K279 WeakPolarHBondContact O-CG 3.32Å; E275-K279 PolarHBondContact O-N 3.25Å; E275-K279 WeakPolarHBondContact OE1-CE 3.26Å; E275-K279 IonicContact OE1-NZ 2.66Å; E275-K279 PolarHBondContact OE1-NZ 3.09Å; E275-F287 HydrophobicContact CB-CD1 4.13Å; E275-F287 HydrophobicContact CB-CE1 3.94Å; E275-F287 HydrophobicContact CB-CZ 4.32Å; E275-F287 HydrophobicContact CG-CB 4.32Å; E275-F287 HydrophobicContact CG-CD1 3.76Å; E275-F287 HydrophobicContact CG-CD2 4.29Å; E275-F287 HydrophobicContact CG-CE1 4.07Å; E275-F287 HydrophobicContact CG-CG 3.89Å; E275-F287 HydrophobicContact CG-CZ 4.48Å
276N84.3Confident84.7Confident114 Ų11443.3 Ų43.361%0.6123%0.23SC*.Hα-helixtrans-64.6-33.2-178.2-72.2-42.6000112.6L274 S280L274-N276 PolarHBondContact O-N 2.81Å; N276-S280 WeakPolarHBondContact O-CB 3.26Å; N276-S280 PolarHBondContact O-N 3.26Å; N276-S280 VanDerWaalsContact O-N 3.15Å; N276-S280 PolarHBondContact O-OG 3.09Å
277T85Confident85.7Confident11 Ų1143.9 Ų43.97%0.06723%0.232CC..Hα-helixtrans-69.3-37175.4-63.70000111.6L14 A17 Q18 L274 E275 S280 L281L14-T277 HydrophobicContact CD2-CG2 3.68Å; A17-T277 HydrophobicContact CB-CG2 3.93Å; Q18-T277 PolarHBondContact NE2-OG1 2.68Å; Q18-T277 VanDerWaalsContact NE2-OG1 3.15Å; L274-T277 CarbonylContact O-C 3.45Å; L274-T277 WeakPolarHBondContact O-CB 3.32Å; L274-T277 PolarHBondContact O-N 2.81Å; L274-T277 VanDerWaalsContact O-N 3.14Å; E275-T277 VanDerWaalsContact C-N 3.28Å; E275-T277 PolarHBondContact O-N 2.82Å; T277-S280 PolarHBondContact O-OG 2.93Å; T277-L281 HydrophobicContact CG2-CD1 4.41Å; T277-L281 VanDerWaalsContact O-CG 3.25Å; T277-L281 WeakPolarHBondContact O-CG 3.37Å; T277-L281 PolarHBondContact O-N 2.83Å
278L90.4Very high86.5Confident3 Ų342.5 Ų42.52%0.01623%0.228CC..Hα-helixtrans-83.1-35.5-178.1-71.2167.7000111.6L34 L274 E275 L281 G282 V283 F287L34-L278 HydrophobicContact CD1-CD1 4.01Å; L34-L278 HydrophobicContact CD1-CD2 3.89Å; L34-L278 HydrophobicContact CD2-CD1 3.72Å; L34-L278 HydrophobicContact CG-CD1 4.5Å; L274-L278 HydrophobicContact CB-CD1 3.76Å; L274-L278 HydrophobicContact CB-CG 4.36Å; L274-L278 WeakPolarHBondContact O-CB 3.41Å; L274-L278 VanDerWaalsContact O-CG 3.32Å; L274-L278 WeakPolarHBondContact O-CG 3.48Å; L274-L278 PolarHBondContact O-N 2.9Å; E275-L278 PolarHBondContact O-N 3.24Å; E275-L278 VanDerWaalsContact O-N 3.16Å; L278-L281 CarbonylContact O-C 3.57Å; L278-L281 PolarHBondContact O-N 2.93Å; L278-G282 PolarHBondContact O-N 2.84Å; L278-V283 CarbonylContact C-O 3.55Å; L278-V283 HydrophobicContact CB-CB 4.26Å; L278-V283 PolarHBondContact O-N 3.49Å; L278-F287 HydrophobicContact CB-CE2 3.82Å; L278-F287 HydrophobicContact CB-CZ 4.12Å; L278-F287 HydrophobicContact CD1-CE2 4.33Å; L278-F287 HydrophobicContact CD1-CZ 3.87Å
279K91.1Very high87.6Confident70 Ų7045.5 Ų45.530%0.30424%0.242SC..Hα-helixtrans-61.8-41.6170.7-75.1-176.1175.7178.20112E275 L281 G282 V283 T284 F287E275-K279 HydrophobicContact CG-CD 3.93Å; E275-K279 HydrophobicContact CG-CG 4.41Å; E275-K279 WeakPolarHBondContact O-CB 3.45Å; E275-K279 WeakPolarHBondContact O-CG 3.32Å; E275-K279 PolarHBondContact O-N 3.25Å; E275-K279 WeakPolarHBondContact OE1-CE 3.26Å; E275-K279 IonicContact OE1-NZ 2.66Å; E275-K279 PolarHBondContact OE1-NZ 3.09Å; K279-L281 VanDerWaalsContact C-N 3.31Å; K279-L281 PolarHBondContact O-N 2.88Å; K279-G282 PolarHBondContact O-N 2.95Å; K279-V283 WeakPolarHBondContact CA-O 3.43Å; K279-V283 PolarHBondContact N-O 3.44Å; K279-T284 HydrophobicContact CG-CG2 4.43Å; K279-F287 HydrophobicContact CG-CD2 4.07Å
280S87.6Confident88.6Confident85 Ų8549.6 Ų49.659%0.59426%0.259SS*.Hα-helixtrans-69.4-27.417666.80000113.4N276 T277N276-S280 WeakPolarHBondContact O-CB 3.26Å; N276-S280 PolarHBondContact O-N 3.26Å; N276-S280 VanDerWaalsContact O-N 3.15Å; N276-S280 PolarHBondContact O-OG 3.09Å; T277-S280 PolarHBondContact O-OG 2.93Å
281L89.3Confident89.7Confident49 Ų4953 Ų5326%0.25727%0.273SS..Hα-helixtrans-81.6-9.6171.8-68.2174.5000114L14 V52 T277 L278 K279L14-L281 HydrophobicContact CD2-CD1 4.22Å; V52-L281 HydrophobicContact CG1-CB 3.93Å; V52-L281 HydrophobicContact CG1-CD1 4.23Å; V52-L281 HydrophobicContact CG2-CB 4.3Å; V52-L281 WeakPolarHBondContact CG2-O 3.42Å; T277-L281 HydrophobicContact CG2-CD1 4.41Å; T277-L281 VanDerWaalsContact O-CG 3.25Å; T277-L281 WeakPolarHBondContact O-CG 3.37Å; T277-L281 PolarHBondContact O-N 2.83Å; L278-L281 CarbonylContact O-C 3.57Å; L278-L281 PolarHBondContact O-N 2.93Å; K279-L281 VanDerWaalsContact C-N 3.31Å; K279-L281 PolarHBondContact O-N 2.88Å
282G92.1Very high90.6Very high36 Ų3650 Ų5037%0.37126%0.263SS..THydrogen-bonded Turntrans107.17.5174.700000116.6L278 K279 T284L278-G282 PolarHBondContact O-N 2.84Å; K279-G282 PolarHBondContact O-N 2.95Å; G282-T284 PolarHBondContact O-N 2.74Å
283V93.9Very high91.5Very high5 Ų552.6 Ų52.63%0.0328%0.276CS..  trans-91.694.3168.9-167.10000109.2Q48 M49 V52 L278 K279 V286 F287Q48-V283 HydrophobicContact CB-CG1 4.48Å; M49-V283 HydrophobicContact CG-CG1 3.77Å; V52-V283 HydrophobicContact CB-CG2 3.83Å; V52-V283 HydrophobicContact CG1-CG2 4.23Å; V52-V283 HydrophobicContact CG2-CG2 3.65Å; L278-V283 CarbonylContact C-O 3.55Å; L278-V283 HydrophobicContact CB-CB 4.26Å; L278-V283 PolarHBondContact O-N 3.49Å; K279-V283 WeakPolarHBondContact CA-O 3.43Å; K279-V283 PolarHBondContact N-O 3.44Å; V283-V286 HydrophobicContact CG1-CB 4.3Å; V283-V286 HydrophobicContact CG1-CG1 3.7Å; V283-F287 WeakPolarHBondContact O-CD2 3.19Å
284T95.8Very high92.2Very high59 Ų5948.3 Ų48.336%0.36226%0.256SS..  trans-105.5-44.1-176.2530000113.3Q48 K279 G282 V286 F287Q48-T284 PolarHBondContact NE2-OG1 3.13Å; Q48-T284 PolarHBondContact OE1-OG1 3.06Å; K279-T284 HydrophobicContact CG-CG2 4.43Å; G282-T284 PolarHBondContact O-N 2.74Å; T284-V286 VanDerWaalsContact C-N 3.29Å; T284-V286 PolarHBondContact O-N 2.76Å; T284-F287 PolarHBondContact O-N 2.6Å
285D97.1Very high92.5Very high17 Ų1750.8 Ų50.89%0.09127%0.274CS..G310 helixtrans-71.7-28.1-163.3-68.820.9000112N44 Q48 F287 D288 K291 A292N44-D285 PolarHBondContact ND2-OD2 3.45Å; Q48-D285 PolarHBondContact NE2-OD1 3.1Å; Q48-D285 PolarHBondContact NE2-OD2 2.73Å; Q48-D285 PolarHBondContact OE1-OD1 2.64Å; D285-F287 PolarHBondContact O-N 2.95Å; D285-D288 PolarHBondContact O-N 3.41Å; D285-K291 HydrophobicContact CB-CB 3.82Å; D285-K291 CarbonylContact O-C 3.22Å; D285-A292 WeakPolarHBondContact O-CA 3.48Å; D285-A292 VanDerWaalsContact O-CB 3.31Å; D285-A292 WeakPolarHBondContact O-CB 3.43Å; D285-A292 PolarHBondContact O-N 2.85Å; D285-A292 VanDerWaalsContact O-N 3.09Å
286V96.2Very high92.7Very high4 Ų449.8 Ų49.82%0.02427%0.273CS..G310 helixtrans-65-19.3179.285.90000112.9V37 T45 M49 V283 T284 L294 V305V37-V286 HydrophobicContact CG1-CG2 3.58Å; T45-V286 HydrophobicContact CG2-CB 3.66Å; T45-V286 HydrophobicContact CG2-CG2 3.66Å; M49-V286 HydrophobicContact SD-CG2 4.29Å; V283-V286 HydrophobicContact CG1-CB 4.3Å; V283-V286 HydrophobicContact CG1-CG1 3.7Å; T284-V286 VanDerWaalsContact C-N 3.29Å; T284-V286 PolarHBondContact O-N 2.76Å; V286-L294 HydrophobicContact CG2-CD2 4.06Å; V286-V305 HydrophobicContact CG1-CG2 4.36Å; V286-V305 HydrophobicContact CG2-CG2 3.76Å; V286-V305 WeakPolarHBondContact O-CB 3.22Å; V286-V305 PolarHBondContact O-N 2.81Å
287F94.7Very high93.2Very high15 Ų1544.3 Ų44.37%0.06624%0.244CC..G310 helixtrans-108.723.4179.9-56.9-77.3000112.5E275 L278 K279 V283 T284 D285 V305 A308E275-F287 HydrophobicContact CB-CD1 4.13Å; E275-F287 HydrophobicContact CB-CE1 3.94Å; E275-F287 HydrophobicContact CB-CZ 4.32Å; E275-F287 HydrophobicContact CG-CB 4.32Å; E275-F287 HydrophobicContact CG-CD1 3.76Å; E275-F287 HydrophobicContact CG-CD2 4.29Å; E275-F287 HydrophobicContact CG-CE1 4.07Å; E275-F287 HydrophobicContact CG-CG 3.89Å; E275-F287 HydrophobicContact CG-CZ 4.48Å; L278-F287 HydrophobicContact CB-CE2 3.82Å; L278-F287 HydrophobicContact CB-CZ 4.12Å; L278-F287 HydrophobicContact CD1-CE2 4.33Å; L278-F287 HydrophobicContact CD1-CZ 3.87Å; K279-F287 HydrophobicContact CG-CD2 4.07Å; V283-F287 WeakPolarHBondContact O-CD2 3.19Å; T284-F287 PolarHBondContact O-N 2.6Å; D285-F287 PolarHBondContact O-N 2.95Å; F287-V305 HydrophobicContact CD1-CB 3.79Å; F287-V305 HydrophobicContact CD1-CG1 3.68Å; F287-V305 HydrophobicContact CE1-CB 3.97Å; F287-V305 HydrophobicContact CE1-CG1 3.45Å; F287-V305 VanDerWaalsContact CE1-CG1 3.45Å; F287-V305 HydrophobicContact CZ-CG1 4.5Å; F287-A308 HydrophobicContact CE1-CB 3.9Å; F287-A308 HydrophobicContact CZ-CB 4.37Å
288D93.8Very high93.6Very high41 Ų4143.9 Ų43.922%0.21924%0.241CC..  trans-132.1114.4-177.1-175-45.5000109.3D285 F290 K291 A292D285-D288 PolarHBondContact O-N 3.41Å; D288-F290 PolarHBondContact O-N 2.89Å; D288-F290 PolarHBondContact OD1-N 2.72Å; D288-K291 HydrophobicContact CB-CB 4.1Å; D288-K291 HydrophobicContact CB-CG 4.31Å; D288-K291 PolarHBondContact O-N 3.16Å; D288-K291 PolarHBondContact OD1-N 2.98Å; D288-K291 IonicContact OD2-NZ 3.2Å; D288-K291 PolarHBondContact OD2-NZ 2.92Å; D288-A292 WeakPolarHBondContact O-CB 3.43Å; D288-A292 PolarHBondContact O-N 2.93Å
289E92.1Very high93.5Very high77 Ų7751.6 Ų51.636%0.3628%0.276SS..THydrogen-bonded Turntrans-53-25.4-176.2-173.8170.4-151.500113.5Y304E289-Y304 HydrophobicContact CB-CD1 3.69Å; E289-Y304 HydrophobicContact CB-CE1 3.74Å; E289-Y304 HydrophobicContact CB-CG 4.2Å; E289-Y304 HydrophobicContact CG-CD1 3.79Å; E289-Y304 HydrophobicContact CG-CE1 3.71Å
290F93.1Very high93.3Very high181 Ų18152 Ų5279%0.79428%0.281SS*.THydrogen-bonded Turntrans-105.5-2.3-177.1-51.7-76.1000114D288D288-F290 PolarHBondContact O-N 2.89Å; D288-F290 PolarHBondContact OD1-N 2.72Å
291K95.7Very high93.3Very high113 Ų11356.8 Ų56.849%0.49129%0.294SS..THydrogen-bonded Turntrans-124.2-18.2177.6-53.8-170.6-170.9820114.5T45 D285 D288 N293T45-K291 PolarHBondContact OG1-O 3.04Å; D285-K291 HydrophobicContact CB-CB 3.82Å; D285-K291 CarbonylContact O-C 3.22Å; D288-K291 HydrophobicContact CB-CB 4.1Å; D288-K291 HydrophobicContact CB-CG 4.31Å; D288-K291 PolarHBondContact O-N 3.16Å; D288-K291 PolarHBondContact OD1-N 2.98Å; D288-K291 IonicContact OD2-NZ 3.2Å; D288-K291 PolarHBondContact OD2-NZ 2.92Å; K291-N293 PolarHBondContact O-N 2.88Å; K291-N293 VanDerWaalsContact O-N 3.08Å
292A95.9Very high93.3Very high16 Ų1655.8 Ų55.813%0.13230%0.296CS..  trans-65.4108.2-178.400000111.1D285 D288 L294D285-A292 WeakPolarHBondContact O-CA 3.48Å; D285-A292 VanDerWaalsContact O-CB 3.31Å; D285-A292 WeakPolarHBondContact O-CB 3.43Å; D285-A292 PolarHBondContact O-N 2.85Å; D285-A292 VanDerWaalsContact O-N 3.09Å; D288-A292 WeakPolarHBondContact O-CB 3.43Å; D288-A292 PolarHBondContact O-N 2.93Å; A292-L294 PolarHBondContact O-N 2.64Å
293N95.9Very high93.4Very high60 Ų6054.3 Ų54.332%0.32128%0.279SS..  trans-95.685171.5-172.1-13.2000109.8S41 Q42 T45 K291 S295S41-N293 CarbonylContact C-O 3.54Å; S41-N293 VanDerWaalsContact CA-O 3.32Å; S41-N293 WeakPolarHBondContact CA-O 3.22Å; Q42-N293 PolarHBondContact N-O 3.16Å; T45-N293 PolarHBondContact OG1-N 2.96Å; K291-N293 PolarHBondContact O-N 2.88Å; K291-N293 VanDerWaalsContact O-N 3.08Å; N293-S295 WeakPolarHBondContact OD1-CB 3.26Å; N293-S295 PolarHBondContact OD1-N 3.14Å; N293-S295 PolarHBondContact OD1-OG 2.98Å
294L95.4Very high93.4Very high5 Ų555.4 Ų55.43%0.02628%0.283CS..  trans-102.528.5173.7-61.7-177.4000112.5V37 G40 V286 A292 S296 I297 L303V37-L294 HydrophobicContact CG1-CD1 4.45Å; V37-L294 HydrophobicContact CG1-CD2 3.74Å; G40-L294 CarbonylContact O-C 3.59Å; G40-L294 VanDerWaalsContact O-C 3.22Å; G40-L294 VanDerWaalsContact O-CA 3.32Å; G40-L294 WeakPolarHBondContact O-CA 3.46Å; V286-L294 HydrophobicContact CG2-CD2 4.06Å; A292-L294 PolarHBondContact O-N 2.64Å; L294-S296 PolarHBondContact O-N 3.28Å; L294-I297 HydrophobicContact CB-CD1 4.08Å; L294-I297 HydrophobicContact CB-CG1 4.28Å; L294-I297 HydrophobicContact CD1-CD1 4.21Å; L294-I297 HydrophobicContact CD2-CD1 4.42Å; L294-I297 HydrophobicContact CG-CD1 4.47Å; L294-I297 WeakPolarHBondContact O-CB 3.41Å; L294-I297 PolarHBondContact O-N 2.81Å; L294-L303 HydrophobicContact CB-CB 4.45Å; L294-L303 HydrophobicContact CB-CD2 4.17Å; L294-L303 HydrophobicContact CB-CG 4.36Å; L294-L303 HydrophobicContact CD1-CG 4.23Å
295S94.3Very high93.3Very high56 Ų5652.8 Ų52.839%0.39227%0.267SS..THydrogen-bonded Turntrans-64.2-5.4-175.959.60000115.7N293 T298N293-S295 WeakPolarHBondContact OD1-CB 3.26Å; N293-S295 PolarHBondContact OD1-N 3.14Å; N293-S295 PolarHBondContact OD1-OG 2.98Å; S295-T298 CarbonylContact C-O 3.01Å
296S94Very high93Very high28 Ų2853 Ų5320%0.19627%0.27CS..THydrogen-bonded Turntrans-92.9-5170.5-50.90000113G40 Q42 Y104 L294G40-S296 WeakPolarHBondContact O-CB 3.47Å; G40-S296 PolarHBondContact O-N 3.21Å; G40-S296 VanDerWaalsContact O-N 3.1Å; Q42-S296 WeakPolarHBondContact CG-OG 3.4Å; Q42-S296 PolarHBondContact NE2-OG 3.39Å; Y104-S296 VanDerWaalsContact CB-O 3.3Å; Y104-S296 WeakPolarHBondContact CB-O 3.2Å; L294-S296 PolarHBondContact O-N 3.28Å
297I94.3Very high92.7Very high0 Ų055 Ų550%028%0.279CS..THydrogen-bonded Turntrans-84.6-40.2170.1-56.4-170.5000111.2G40 L92 L100 L101 Y104 L156 L294 L303G40-I297 VanDerWaalsContact CA-CG1 3.43Å; L92-I297 HydrophobicContact CD2-CD1 4.44Å; L100-I297 HydrophobicContact CD2-CG2 3.67Å; L101-I297 PolarHBondContact N-O 2.7Å; Y104-I297 HydrophobicContact CD1-CB 4.21Å; Y104-I297 HydrophobicContact CD1-CG1 4.27Å; Y104-I297 HydrophobicContact CD1-CG2 3.91Å; Y104-I297 HydrophobicContact CD2-CG1 4.41Å; Y104-I297 HydrophobicContact CE1-CB 4.13Å; Y104-I297 HydrophobicContact CE1-CD1 4.22Å; Y104-I297 HydrophobicContact CE1-CG1 3.85Å; Y104-I297 HydrophobicContact CE1-CG2 3.69Å; Y104-I297 HydrophobicContact CE2-CG1 4.03Å; L156-I297 HydrophobicContact CD1-CD1 4.07Å; L294-I297 HydrophobicContact CB-CD1 4.08Å; L294-I297 HydrophobicContact CB-CG1 4.28Å; L294-I297 HydrophobicContact CD1-CD1 4.21Å; L294-I297 HydrophobicContact CD2-CD1 4.42Å; L294-I297 HydrophobicContact CG-CD1 4.47Å; L294-I297 WeakPolarHBondContact O-CB 3.41Å; L294-I297 PolarHBondContact O-N 2.81Å; I297-L303 HydrophobicContact CB-CD2 3.81Å; I297-L303 HydrophobicContact CD1-CD2 4.08Å; I297-L303 HydrophobicContact CG1-CD2 4.43Å; I297-L303 HydrophobicContact CG2-CD2 3.7Å
298T92.9Very high92.4Very high1 Ų154.2 Ų54.21%0.00628%0.276CS..BIsolated β-bridgetrans-155157.3-169.9-178.40000110.5Y98 D99 S295 L300 L303Y98-T298 HydrophobicContact CD1-CG2 3.94Å; D99-T298 WeakPolarHBondContact O-CA 3.2Å; D99-T298 WeakPolarHBondContact O-CB 3.27Å; D99-T298 PolarHBondContact O-OG1 3.39Å; S295-T298 CarbonylContact C-O 3.01Å; T298-L300 VanDerWaalsContact C-N 3.27Å; T298-L300 WeakPolarHBondContact CG2-O 3.46Å; T298-L300 PolarHBondContact OG1-N 3.33Å; T298-L303 HydrophobicContact CG2-CB 4.24Å; T298-L303 HydrophobicContact CG2-CD2 3.64Å
299H88Confident92.1Very high165 Ų16552.5 Ų52.576%0.76427%0.266SS*.SBendtrans-79.9-3.8173.3-68.6-35.3000114.1
300L88Confident91.9Very high78 Ų7848.9 Ų48.941%0.40825%0.249SC..SBendtrans-98.2133.2-175.3-70.5160.4000111.8Y98 T298Y98-L300 HydrophobicContact CD1-CB 3.75Å; Y98-L300 HydrophobicContact CE1-CB 4.11Å; T298-L300 VanDerWaalsContact C-N 3.27Å; T298-L300 WeakPolarHBondContact CG2-O 3.46Å; T298-L300 PolarHBondContact OG1-N 3.33Å
301E87.3Confident91.3Very high187 Ų18741.2 Ų41.287%0.87422%0.216SC*.SBendtrans-74.6162.6178.9-63.2-173.7166.900112.5
302G88.5Confident90.5Very high28 Ų2835.9 Ų35.929%0.28919%0.192SC..  trans84.110.3178.600000115.5Y98 Y304Y98-G302 PolarHBondContact OH-O 2.68Å; G302-Y304 PolarHBondContact O-N 3.06Å
303L93.9Very high89.5Confident4 Ų435.4 Ų35.42%0.02119%0.187CC..  trans-80.5114.8171.7-172.766.5000111V94 Y98 R155 L156 L294 I297 T298V94-L303 HydrophobicContact CG1-CD1 4.24Å; Y98-L303 HydrophobicContact CD1-CB 4.16Å; Y98-L303 HydrophobicContact CD1-CD1 4.27Å; Y98-L303 HydrophobicContact CD2-CD1 4.34Å; Y98-L303 HydrophobicContact CE1-CB 3.97Å; Y98-L303 HydrophobicContact CE1-CD1 4.4Å; Y98-L303 HydrophobicContact CE2-CD1 4.47Å; Y98-L303 HydrophobicContact CG-CD1 4.24Å; R155-L303 HydrophobicContact CB-CD1 4.05Å; L156-L303 HydrophobicContact CB-CD1 4.15Å; L156-L303 HydrophobicContact CD1-CD1 3.89Å; L156-L303 HydrophobicContact CD1-CD2 3.95Å; L156-L303 HydrophobicContact CD1-CG 4.06Å; L294-L303 HydrophobicContact CB-CB 4.45Å; L294-L303 HydrophobicContact CB-CD2 4.17Å; L294-L303 HydrophobicContact CB-CG 4.36Å; L294-L303 HydrophobicContact CD1-CG 4.23Å; I297-L303 HydrophobicContact CB-CD2 3.81Å; I297-L303 HydrophobicContact CD1-CD2 4.08Å; I297-L303 HydrophobicContact CG1-CD2 4.43Å; I297-L303 HydrophobicContact CG2-CD2 3.7Å; T298-L303 HydrophobicContact CG2-CB 4.24Å; T298-L303 HydrophobicContact CG2-CD2 3.64Å
304Y94.7Very high88.6Confident29 Ų2932.6 Ų32.611%0.11417%0.172CC..  trans-134157.3176.771.8-82.2000111.3R153 R155 L156 E289 G302 S306R153-Y304 PolarHBondContact O-OH 3.05Å; R155-Y304 HydrophobicContact CB-CD1 4.37Å; R155-Y304 HydrophobicContact CB-CE1 4.33Å; R155-Y304 HydrophobicContact CG-CD1 3.91Å; R155-Y304 HydrophobicContact CG-CE1 3.54Å; L156-Y304 VanDerWaalsContact CB-O 3.24Å; L156-Y304 WeakPolarHBondContact CB-O 3.4Å; E289-Y304 HydrophobicContact CB-CD1 3.69Å; E289-Y304 HydrophobicContact CB-CE1 3.74Å; E289-Y304 HydrophobicContact CB-CG 4.2Å; E289-Y304 HydrophobicContact CG-CD1 3.79Å; E289-Y304 HydrophobicContact CG-CE1 3.71Å; G302-Y304 PolarHBondContact O-N 3.06Å; Y304-S306 WeakPolarHBondContact CE2-OG 3.3Å; Y304-S306 PolarHBondContact O-N 2.6Å
305V93.9Very high87.7Confident3 Ų334 Ų342%0.01818%0.18CC..  trans-70.5111.3172179.50000108.7V37 L156 I158 V286 F287 E307 A308V37-V305 HydrophobicContact CG1-CG2 4Å; V37-V305 HydrophobicContact CG2-CG2 4.33Å; L156-V305 HydrophobicContact CD2-CB 4.36Å; L156-V305 HydrophobicContact CD2-CG2 3.64Å; I158-V305 HydrophobicContact CD1-CG1 3.9Å; I158-V305 HydrophobicContact CD1-CG2 4.13Å; I158-V305 HydrophobicContact CG1-CG1 3.96Å; I158-V305 HydrophobicContact CG1-CG2 4.48Å; V286-V305 HydrophobicContact CG1-CG2 4.36Å; V286-V305 HydrophobicContact CG2-CG2 3.76Å; V286-V305 WeakPolarHBondContact O-CB 3.22Å; V286-V305 PolarHBondContact O-N 2.81Å; F287-V305 HydrophobicContact CD1-CB 3.79Å; F287-V305 HydrophobicContact CD1-CG1 3.68Å; F287-V305 HydrophobicContact CE1-CB 3.97Å; F287-V305 HydrophobicContact CE1-CG1 3.45Å; F287-V305 VanDerWaalsContact CE1-CG1 3.45Å; F287-V305 HydrophobicContact CZ-CG1 4.5Å; V305-E307 WeakPolarHBondContact CG1-O 3.02Å; V305-A308 HydrophobicContact CG1-CB 4.05Å
306S91.2Very high87.3Confident22 Ų2231.3 Ų31.315%0.15416%0.161CC..  trans-89.8-33.9179.4-44.10000112.3R155 L156 Y304R155-S306 PolarHBondContact N-OG 2.9Å; L156-S306 PolarHBondContact N-OG 3.3Å; L156-S306 PolarHBondContact O-N 2.9Å; Y304-S306 WeakPolarHBondContact CE2-OG 3.3Å; Y304-S306 PolarHBondContact O-N 2.6Å
307E88.5Confident86.8Confident45 Ų4530.9 Ų30.921%0.2116%0.157CC..EExtended strand (participates in β ladder)trans-142.1146.3174.1-92.5-65.5179.100110.9L150 L156 V157 I158 H273 V305 L309L150-E307 HydrophobicContact CD2-CG 4.41Å; L156-E307 PolarHBondContact O-N 3.24Å; V157-E307 WeakPolarHBondContact CA-O 3.23Å; V157-E307 HydrophobicContact CG1-CB 3.99Å; V157-E307 HydrophobicContact CG2-CB 4.26Å; I158-E307 PolarHBondContact N-O 2.8Å; H273-E307 IonicContact CE1-OE1 3.91Å; H273-E307 IonicContact CE1-OE2 3Å; H273-E307 IonicContact ND1-OE1 2.66Å; H273-E307 PolarHBondContact ND1-OE1 3.42Å; H273-E307 IonicContact ND1-OE2 3.58Å; H273-E307 PolarHBondContact ND1-OE2 2.87Å; V305-E307 WeakPolarHBondContact CG1-O 3.02Å; E307-L309 WeakPolarHBondContact OE2-CD2 3.48Å
308A89.9Confident86.5Confident0 Ų031.7 Ų31.70%016%0.161CC..EExtended strand (participates in β ladder)trans-143.1101.8178.600000110.3I158 L274 F287 V305I158-A308 HydrophobicContact CB-CB 4.28Å; I158-A308 HydrophobicContact CD1-CB 3.95Å; I158-A308 HydrophobicContact CG1-CB 4.22Å; L274-A308 HydrophobicContact CB-CB 4.05Å; L274-A308 WeakPolarHBondContact CB-O 3.34Å; L274-A308 PolarHBondContact N-O 3.06Å; F287-A308 HydrophobicContact CE1-CB 3.9Å; F287-A308 HydrophobicContact CZ-CB 4.37Å; V305-A308 HydrophobicContact CG1-CB 4.05Å
309L87.3Confident86Confident5 Ų534.4 Ų34.43%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-117.3128.7-165.1-58.9171.6000110.7M146 V147 I158 V159 N160 H273 E307M146-L309 HydrophobicContact CE-CB 3.55Å; M146-L309 WeakPolarHBondContact CE-O 3.25Å; V147-L309 HydrophobicContact CG2-CD1 3.75Å; I158-L309 PolarHBondContact O-N 2.91Å; V159-L309 HydrophobicContact CG1-CB 4.14Å; V159-L309 HydrophobicContact CG1-CD1 4.21Å; N160-L309 WeakPolarHBondContact CB-O 3.2Å; N160-L309 PolarHBondContact N-O 3.21Å; H273-L309 VanDerWaalsContact CE1-CD2 3.41Å; H273-L309 WeakPolarHBondContact CE1-CD2 3.41Å; H273-L309 VanDerWaalsContact ND1-CD2 3.27Å; H273-L309 WeakPolarHBondContact ND1-CD2 3.23Å; E307-L309 WeakPolarHBondContact OE2-CD2 3.48Å
310H87.1Confident85.8Confident0 Ų026.6 Ų26.60%014%0.137CC..EExtended strand (participates in β ladder)trans-119.5136169.5179.454.8000111.5S26 I30 M146 N160 E271 M272 L274 T312S26-H310 PolarHBondContact N-NE2 3.5Å; I30-H310 HydrophobicContact CG1-CB 4.15Å; M146-H310 VanDerWaalsContact CE-C 3.48Å; N160-H310 HydrophobicContact CB-CB 4.4Å; N160-H310 CarbonylContact O-C 3.54Å; N160-H310 VanDerWaalsContact O-CA 3.29Å; N160-H310 WeakPolarHBondContact O-CA 3.34Å; N160-H310 PolarHBondContact O-ND1 3.27Å; N160-H310 PolarHBondContact OD1-CE1 3.34Å; N160-H310 PolarHBondContact OD1-ND1 3.09Å; E271-H310 CarbonylContact C-O 3.57Å; E271-H310 WeakPolarHBondContact CA-O 3.49Å; M272-H310 HydrophobicContact CB-CB 4.35Å; M272-H310 PolarHBondContact N-O 2.89Å; M272-H310 PolarHBondContact O-N 3.11Å; L274-H310 HydrophobicContact CD1-CB 4.09Å; L274-H310 HydrophobicContact CD2-CB 4.02Å; L274-H310 HydrophobicContact CG-CB 4.1Å; H310-T312 PolarHBondContact CD2-OG1 2.66Å; H310-T312 PolarHBondContact NE2-OG1 3.4Å
311K81.3Confident85.3Confident21 Ų2122.9 Ų22.99%0.09112%0.117CC..EExtended strand (participates in β ladder)trans-136.5134.4176.1-165.5157.2-177165.90112I143 R145 M146 N160 A161 I162 E269 K270 E271I143-K311 HydrophobicContact CD1-CB 4.37Å; I143-K311 HydrophobicContact CD1-CG 4.16Å; I143-K311 HydrophobicContact CG2-CB 4.34Å; I143-K311 HydrophobicContact CG2-CD 3.64Å; I143-K311 HydrophobicContact CG2-CG 3.93Å; R145-K311 PolarHBondContact O-NZ 2.82Å; M146-K311 HydrophobicContact CB-CD 4.19Å; M146-K311 HydrophobicContact CE-CB 3.7Å; M146-K311 HydrophobicContact CG-CB 4.1Å; M146-K311 HydrophobicContact CG-CD 4.15Å; M146-K311 HydrophobicContact SD-CB 3.46Å; M146-K311 WeakPolarHBondContact SD-CB 3.3Å; M146-K311 HydrophobicContact SD-CD 4.43Å; N160-K311 PolarHBondContact O-N 3.01Å; A161-K311 WeakPolarHBondContact CA-O 3.34Å; I162-K311 PolarHBondContact N-O 3.15Å; E269-K311 WeakPolarHBondContact OE1-CE 3.31Å; E269-K311 IonicContact OE1-NZ 3.14Å; K270-K311 WeakPolarHBondContact O-CA 3.45Å; E271-K311 HydrophobicContact CB-CD 4.16Å; E271-K311 HydrophobicContact CB-CG 4.27Å; E271-K311 HydrophobicContact CG-CB 4.45Å; E271-K311 HydrophobicContact CG-CD 4Å; E271-K311 HydrophobicContact CG-CG 4.36Å; E271-K311 VanDerWaalsContact OE2-CD 3.3Å; E271-K311 WeakPolarHBondContact OE2-CD 3.26Å; E271-K311 VanDerWaalsContact OE2-CE 3.27Å; E271-K311 WeakPolarHBondContact OE2-CE 3.32Å; E271-K311 IonicContact OE2-NZ 2.73Å; E271-K311 PolarHBondContact OE2-NZ 2.7Å
312T79.3Confident84.1Confident0 Ų015.1 Ų15.10%08%0.081CC..EExtended strand (participates in β ladder)trans-132.9139-165.2-370000110.2V24 F25 I162 E269 K270 H310 F365V24-T312 HydrophobicContact CG1-CG2 4.03Å; V24-T312 HydrophobicContact CG2-CG2 4.15Å; V24-T312 WeakPolarHBondContact O-CB 3.3Å; V24-T312 PolarHBondContact O-OG1 3.01Å; F25-T312 WeakPolarHBondContact CA-OG1 3.41Å; I162-T312 HydrophobicContact CG2-CG2 3.79Å; E269-T312 VanDerWaalsContact CA-O 3.3Å; E269-T312 WeakPolarHBondContact CA-O 3.12Å; K270-T312 PolarHBondContact N-O 3.28Å; K270-T312 PolarHBondContact O-N 3.16Å; H310-T312 PolarHBondContact CD2-OG1 2.66Å; H310-T312 PolarHBondContact NE2-OG1 3.4Å; T312-F365 HydrophobicContact CG2-CD1 3.89Å; T312-F365 HydrophobicContact CG2-CE1 3.76Å
313F72.9Confident81.9Confident6 Ų614.2 Ų14.23%0.0267%0.071CC..EExtended strand (participates in β ladder)trans-132.6132.8178.4-178.6-79.1000111.1K142 I143 Y163 E269 D315 E322K142-F313 HydrophobicContact CD-CZ 4.36Å; I143-F313 HydrophobicContact CD1-CB 4.25Å; I143-F313 HydrophobicContact CG1-CB 4.3Å; Y163-F313 HydrophobicContact CD2-CD1 4.21Å; E269-F313 HydrophobicContact CB-CD2 4.5Å; E269-F313 HydrophobicContact CG-CD2 4.35Å; F313-D315 HydrophobicContact CE1-CB 4.12Å; F313-E322 VanDerWaalsContact CE1-OE1 3.26Å; F313-E322 WeakPolarHBondContact CE1-OE1 3.25Å; F313-E322 WeakPolarHBondContact CZ-OE1 3.42Å
314I77.5Confident78.7Confident1 Ų117.6 Ų17.61%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-142.9137.6172.5-160.9-178.2000110.8V24 F266 K267 L268 V316 T321 F353 I355V24-I314 HydrophobicContact CB-CG2 4.34Å; V24-I314 HydrophobicContact CG1-CG2 4.03Å; V24-I314 HydrophobicContact CG2-CB 4.47Å; V24-I314 HydrophobicContact CG2-CG2 4.08Å; F266-I314 HydrophobicContact CE2-CG2 4.4Å; K267-I314 WeakPolarHBondContact CA-O 3.16Å; K267-I314 WeakPolarHBondContact CG-O 3.39Å; L268-I314 HydrophobicContact CB-CG2 3.79Å; L268-I314 PolarHBondContact N-O 3.32Å; L268-I314 PolarHBondContact O-N 3.2Å; I314-V316 HydrophobicContact CD1-CG2 3.83Å; I314-V316 HydrophobicContact CG1-CG2 4.07Å; I314-T321 HydrophobicContact CD1-CG2 4.25Å; I314-T321 HydrophobicContact CG1-CG2 3.45Å; I314-T321 VanDerWaalsContact CG1-CG2 3.45Å; I314-F353 HydrophobicContact CD1-CE2 3.78Å; I314-F353 HydrophobicContact CD1-CZ 4.5Å; I314-I355 HydrophobicContact CD1-CD1 3.93Å
315D77.4Confident75.7Confident34 Ų3420 Ų2018%0.18213%0.133CC..EExtended strand (participates in β ladder)trans-131.694.9176.5-171.8-61.1000108.7K267 F313 N317 T321 E322K267-D315 HydrophobicContact CG-CB 4.41Å; F313-D315 HydrophobicContact CE1-CB 4.12Å; D315-N317 PolarHBondContact OD1-ND2 3.35Å; D315-T321 CarbonylContact O-C 3.54Å; D315-T321 WeakPolarHBondContact O-CA 3.34Å; D315-E322 HydrophobicContact CB-CB 4.2Å; D315-E322 HydrophobicContact CB-CG 4.1Å; D315-E322 PolarHBondContact O-N 2.96Å
316V85.8Confident72.5Confident0 Ų020.8 Ų20.80%014%0.138CC..EExtended strand (participates in β ladder)trans-87.5112.3-178.4170.30000109.2W168 M195 M224 K265 F266 I314W168-V316 HydrophobicContact CZ2-CG1 4.33Å; M195-V316 HydrophobicContact CE-CG1 3.91Å; M224-V316 HydrophobicContact CE-CG2 4.03Å; M224-V316 HydrophobicContact SD-CG1 4.38Å; M224-V316 HydrophobicContact SD-CG2 4.07Å; K265-V316 CarbonylContact C-O 3.54Å; K265-V316 WeakPolarHBondContact CA-O 3.3Å; K265-V316 WeakPolarHBondContact CG-O 3.35Å; F266-V316 HydrophobicContact CD1-CB 4.13Å; F266-V316 HydrophobicContact CD1-CG1 4.19Å; F266-V316 HydrophobicContact CD2-CB 4.3Å; F266-V316 HydrophobicContact CD2-CG2 4.33Å; F266-V316 HydrophobicContact CE1-CB 4.07Å; F266-V316 HydrophobicContact CE1-CG1 4Å; F266-V316 HydrophobicContact CE1-CG2 4.14Å; F266-V316 HydrophobicContact CE2-CB 4.25Å; F266-V316 HydrophobicContact CE2-CG2 3.84Å; F266-V316 HydrophobicContact CG-CB 4.26Å; F266-V316 HydrophobicContact CZ-CB 4.15Å; F266-V316 HydrophobicContact CZ-CG1 4.45Å; F266-V316 HydrophobicContact CZ-CG2 3.75Å; F266-V316 PolarHBondContact N-O 3.06Å; F266-V316 PolarHBondContact O-N 2.66Å; I314-V316 HydrophobicContact CD1-CG2 3.83Å; I314-V316 HydrophobicContact CG1-CG2 4.07Å
317N83Confident69.5Low19 Ų1926.2 Ų26.210%0.10217%0.17CC..EExtended strand (participates in β ladder)trans-142-175.2-175.367.760.2000112.6W168 K265 D315 Q319 G320W168-N317 PolarHBondContact NE1-O 3.15Å; K265-N317 HydrophobicContact CG-CB 4.34Å; D315-N317 PolarHBondContact OD1-ND2 3.35Å; N317-Q319 VanDerWaalsContact C-N 3.25Å; N317-Q319 PolarHBondContact O-N 2.99Å; N317-Q319 PolarHBondContact OD1-N 2.88Å; N317-Q319 VanDerWaalsContact OD1-N 3.09Å; N317-G320 CarbonylContact C-O 3.55Å; N317-G320 PolarHBondContact N-O 2.67Å; N317-G320 PolarHBondContact O-N 3.38Å
318E87.6Confident66.7Low18 Ų1827.2 Ų27.28%0.08418%0.18CC..THydrogen-bonded Turntrans-65.8-27.5-168.8-64.284.8171.700113.7V171 F172 A174 T177 M195 K265V171-E318 WeakPolarHBondContact CB-O 3.5Å; F172-E318 HydrophobicContact CB-CB 4.05Å; F172-E318 HydrophobicContact CB-CG 4.23Å; F172-E318 PolarHBondContact N-O 3.06Å; A174-E318 HydrophobicContact CB-CG 4.36Å; T177-E318 WeakPolarHBondContact CB-OE1 3.49Å; T177-E318 WeakPolarHBondContact CG2-OE1 3.42Å; T177-E318 WeakPolarHBondContact OG1-CG 3.5Å; T177-E318 PolarHBondContact OG1-OE1 2.94Å; M195-E318 HydrophobicContact CG-CG 4.27Å; M195-E318 HydrophobicContact SD-CB 4.49Å; M195-E318 HydrophobicContact SD-CG 4.04Å; M195-E318 PolarHBondContact SD-N 3.22Å; M195-E318 VanDerWaalsContact SD-N 3.38Å; K265-E318 WeakPolarHBondContact CE-OE2 3.03Å; K265-E318 IonicContact NZ-OE1 2.65Å; K265-E318 PolarHBondContact NZ-OE1 2.86Å; K265-E318 IonicContact NZ-OE2 2.62Å; K265-E318 PolarHBondContact NZ-OE2 3.36Å
319Q83.7Confident63.9Low58 Ų5833.1 Ų33.127%0.27122%0.215SC..THydrogen-bonded Turntrans-87.6-23.1-178.1-58.9-63.1-78.800112.4A167 W168 N317 A323A167-Q319 CarbonylContact C-O 3.43Å; A167-Q319 VanDerWaalsContact CA-O 3.29Å; A167-Q319 WeakPolarHBondContact CA-O 3.44Å; W168-Q319 PolarHBondContact N-O 3.24Å; N317-Q319 VanDerWaalsContact C-N 3.25Å; N317-Q319 PolarHBondContact O-N 2.99Å; N317-Q319 PolarHBondContact OD1-N 2.88Å; N317-Q319 VanDerWaalsContact OD1-N 3.09Å; Q319-A323 HydrophobicContact CB-CB 3.82Å; Q319-A323 WeakPolarHBondContact CB-O 3.3Å
320G83.7Confident61.2Low0 Ų037 Ų370%023%0.232CC..EExtended strand (participates in β ladder)trans156.5-149.9-171.100000112.1G166 W168 N317G166-G320 CarbonylContact O-C 3.57Å; G166-G320 VanDerWaalsContact O-CA 3.27Å; G166-G320 WeakPolarHBondContact O-CA 3.43Å; W168-G320 VanDerWaalsContact CD1-CA 3.43Å; W168-G320 VanDerWaalsContact NE1-CA 3.29Å; N317-G320 CarbonylContact C-O 3.55Å; N317-G320 PolarHBondContact N-O 2.67Å; N317-G320 PolarHBondContact O-N 3.38Å
321T77.7Confident58.4Low0 Ų043.2 Ų43.20%027%0.27CS..EExtended strand (participates in β ladder)trans-96.9114.3158.1-50.60000108.4F164 K165 G166 Y217 I314 D315 A323F164-T321 HydrophobicContact CD1-CG2 3.73Å; F164-T321 HydrophobicContact CE1-CG2 4Å; K165-T321 CarbonylContact C-O 3.54Å; K165-T321 VanDerWaalsContact CA-O 3.23Å; K165-T321 WeakPolarHBondContact CA-O 3.19Å; G166-T321 PolarHBondContact N-O 3.06Å; G166-T321 PolarHBondContact O-N 2.82Å; Y217-T321 PolarHBondContact OH-OG1 2.54Å; I314-T321 HydrophobicContact CD1-CG2 4.25Å; I314-T321 HydrophobicContact CG1-CG2 3.45Å; I314-T321 VanDerWaalsContact CG1-CG2 3.45Å; D315-T321 CarbonylContact O-C 3.54Å; D315-T321 WeakPolarHBondContact O-CA 3.34Å; T321-A323 PolarHBondContact O-N 3.03Å
322E61.7Low56.1Low24 Ų2447.7 Ų47.711%0.11229%0.294CS..SBendtrans44.522.9-173.2-138.4-162.5-124.100117.3K142 Y163 K165 F313 D315K142-E322 WeakPolarHBondContact CD-OE1 3.31Å; K142-E322 VanDerWaalsContact CE-OE1 3.25Å; K142-E322 WeakPolarHBondContact CE-OE1 3.25Å; K142-E322 WeakPolarHBondContact CE-OE2 3.42Å; K142-E322 IonicContact NZ-OE1 2.69Å; K142-E322 PolarHBondContact NZ-OE1 3.2Å; K142-E322 IonicContact NZ-OE2 2.79Å; K142-E322 PolarHBondContact NZ-OE2 2.67Å; Y163-E322 VanDerWaalsContact CE2-OE2 3.32Å; Y163-E322 WeakPolarHBondContact CE2-OE2 3.47Å; Y163-E322 PolarHBondContact OH-OE2 2.76Å; K165-E322 HydrophobicContact CB-CB 4.36Å; K165-E322 WeakPolarHBondContact CD-O 3.49Å; K165-E322 VanDerWaalsContact CE-O 3.25Å; K165-E322 WeakPolarHBondContact CE-O 3.48Å; K165-E322 HydrophobicContact CG-CB 4.45Å; F313-E322 VanDerWaalsContact CE1-OE1 3.26Å; F313-E322 WeakPolarHBondContact CE1-OE1 3.25Å; F313-E322 WeakPolarHBondContact CZ-OE1 3.42Å; D315-E322 HydrophobicContact CB-CB 4.2Å; D315-E322 HydrophobicContact CB-CG 4.1Å; D315-E322 PolarHBondContact O-N 2.96Å
323A41.9Very low53.9Low10 Ų1053.1 Ų53.18%0.08333%0.329CS..  trans-71.6144.4175.800000111.4A167 Q319 T321A167-A323 HydrophobicContact CB-CB 3.91Å; Q319-A323 HydrophobicContact CB-CB 3.82Å; Q319-A323 WeakPolarHBondContact CB-O 3.3Å; T321-A323 PolarHBondContact O-N 3.03Å
324A27Very low51.8Low74 Ų7462.2 Ų62.261%0.61237%0.374SS*.  trans-143.5131.8177.600000110.4
325G31Very low49.8Very low79 Ų7967.1 Ų67.181%0.81441%0.408SS*.SBendtrans77.241.8170.200000116.2
326V27.4Very low47.7Very low20 Ų2070 Ų7012%0.12144%0.437CS..  trans-126.588.9-176.4-179.90000112.1K83 A167 V328K83-V326 HydrophobicContact CD-CG1 3.99Å; K83-V326 HydrophobicContact CD-CG2 4.03Å; A167-V326 HydrophobicContact CB-CG1 4.46Å; V326-V328 HydrophobicContact CG1-CG2 3.85Å; V326-V328 PolarHBondContact O-N 3.31Å
327T28.9Very low45.6Very low137 Ų13777.9 Ų77.984%0.8448%0.478SS*.  trans-84.298.2173.1-38.50000110.6
328V29.7Very low43.9Very low66 Ų6683.2 Ų83.240%0.451%0.505SS..  trans-99.1119.1172.1173.40000109.8V326V326-V328 HydrophobicContact CG1-CG2 3.85Å; V326-V328 PolarHBondContact O-N 3.31Å
329V29.3Very low42.1Very low124 Ų12487.2 Ų87.275%0.75254%0.541SS*.  trans-97.391.1175.4-177.30000109
330K31Very low41.1Very low86 Ų8690 Ų9037%0.37456%0.555SS.*  trans-72.7122.3172.5-116.5176.2-178.7175.80109.6D169 T170 D201D169-K330 VanDerWaalsContact CG-NZ 3.27Å; D169-K330 WeakPolarHBondContact O-CE 3.27Å; D169-K330 PolarHBondContact O-NZ 3.09Å; D169-K330 IonicContact OD1-NZ 3.19Å; D169-K330 WeakPolarHBondContact OD2-CE 3.45Å; D169-K330 IonicContact OD2-NZ 2.62Å; D169-K330 PolarHBondContact OD2-NZ 3.44Å; T170-K330 PolarHBondContact OG1-NZ 2.69Å; D201-K330 IonicContact OD2-NZ 3.84Å; D201-K330 PolarHBondContact OD2-NZ 2.85Å
331V28.4Very low41Very low131 Ų13195.6 Ų95.679%0.79458%0.579SS**  trans-97.7106.7173.3179.70000108.7
332L34.1Very low41.5Very low114 Ų11498.1 Ų98.160%0.59760%0.595SS**  trans-84.3130.1177.1-70.2172.7000111M334L332-M334 PolarHBondContact O-N 2.69Å
333P32.6Very low43.1Very low114 Ų11499 Ų9974%0.7460%0.597SS**  trans-75.2117.5175.129.9-32.8000110.7S335P333-S335 PolarHBondContact O-N 3.12Å
334M28.6Very low45.6Very low198 Ų198101.8 Ų101.898%0.97561%0.614SS**  trans-76.892.5174.6-69.7-164.1-63.500111.6L332L332-M334 PolarHBondContact O-N 2.69Å
335S34.5Very low48.9Very low103 Ų10398.2 Ų98.272%0.7258%0.584SS**  trans-97.1166.2156.150.70000110.9P333 I337P333-S335 PolarHBondContact O-N 3.12Å; S335-I337 PolarHBondContact O-N 2.79Å
336A33.4Very low52Low96 Ų9697.1 Ų97.179%0.79356%0.557SS**  trans-57.1127.7-167.200000113.7I338A336-I338 PolarHBondContact O-N 2.99Å
337I41.5Very low55.2Low165 Ų16596.1 Ų96.185%0.84655%0.551SS**  trans-69.798.9176.1-58.1173.3000108.8S335S335-I337 PolarHBondContact O-N 2.79Å
338I47.4Very low58Low131 Ų13190.2 Ų90.267%0.67252%0.515SS*.  trans-62.4133.7154.9-65.1169.2000106.4A336 M340A336-I338 PolarHBondContact O-N 2.99Å; I338-M340 PolarHBondContact O-N 3.33Å
339A50Low60.6Low101 Ų10187.5 Ų87.584%0.83550%0.498SS*.  trans-71.278.5-179.400000111.3
340M62.8Low63.3Low116 Ų11681.6 Ų81.657%0.57146%0.462SS*.  trans-68.1149.6171.6-67.8176.8170.600110.2D258 I338 T342D258-M340 HydrophobicContact CB-CB 4.5Å; I338-M340 PolarHBondContact O-N 3.33Å; M340-T342 PolarHBondContact O-N 3.06Å; M340-T342 VanDerWaalsContact O-N 3.13Å
341K82.9Confident66.2Low118 Ų11877.6 Ų77.651%0.51344%0.444SS..  trans-70.2106.1177.8172.5-173.5159.5-165.10108.3E206 Y343E206-K341 IonicContact OE1-NZ 3.21Å; E206-K341 PolarHBondContact OE1-NZ 2.84Å; K341-Y343 HydrophobicContact CB-CE2 4.16Å; K341-Y343 HydrophobicContact CD-CD1 4.48Å; K341-Y343 HydrophobicContact CD-CE1 3.93Å; K341-Y343 HydrophobicContact CD-CE2 4.04Å; K341-Y343 HydrophobicContact CG-CD2 4.41Å; K341-Y343 HydrophobicContact CG-CE2 4.09Å; K341-Y343 WeakPolarHBondContact O-CD2 3.49Å; K341-Y343 VanDerWaalsContact O-CE2 3.26Å; K341-Y343 WeakPolarHBondContact O-CE2 3.26Å; K341-Y343 PolarHBondContact O-N 3.39Å
342T88.2Confident69.3Low54 Ų5471.4 Ų71.433%0.33141%0.407SS..  trans-65.1109171.2-460000110.1D258 R260 M340D258-T342 CarbonylContact O-C 3.5Å; D258-T342 WeakPolarHBondContact O-CA 3.28Å; D258-T342 WeakPolarHBondContact OD2-CA 3.49Å; D258-T342 WeakPolarHBondContact OD2-CB 3.19Å; D258-T342 VanDerWaalsContact OD2-CG2 3.29Å; D258-T342 WeakPolarHBondContact OD2-CG2 3.4Å; D258-T342 PolarHBondContact OD2-OG1 3.06Å; R260-T342 HydrophobicContact CB-CG2 4.44Å; M340-T342 PolarHBondContact O-N 3.06Å; M340-T342 VanDerWaalsContact O-N 3.13Å
343Y93.7Very high72.2Confident41 Ų4166 Ų6616%0.16138%0.378CS..EExtended strand (participates in β ladder)trans-75.9161.5172.2-65.7-98.6000110.5Y204 E206 E257 D258 R260 K341Y204-Y343 AromaticContact CD1-CD1 3.8Å; Y204-Y343 HydrophobicContact CD1-CD1 3.8Å; Y204-Y343 HydrophobicContact CD1-CD2 4.35Å; Y204-Y343 HydrophobicContact CD1-CE1 4.02Å; Y204-Y343 AromaticContact CD1-CG 3.95Å; Y204-Y343 HydrophobicContact CD1-CG 3.95Å; Y204-Y343 AromaticContact CE1-CD1 3.11Å; Y204-Y343 HydrophobicContact CE1-CD1 3.11Å; Y204-Y343 HydrophobicContact CE1-CD2 4.44Å; Y204-Y343 AromaticContact CE1-CE1 3.46Å; Y204-Y343 HydrophobicContact CE1-CE1 3.46Å; Y204-Y343 VanDerWaalsContact CE1-CE1 3.46Å; Y204-Y343 AromaticContact CE1-CG 3.66Å; Y204-Y343 HydrophobicContact CE1-CG 3.66Å; Y204-Y343 AromaticContact CZ-CD1 3.57Å; E206-Y343 HydrophobicContact CG-CE1 4.4Å; E206-Y343 VanDerWaalsContact OE1-CE1 3.31Å; E206-Y343 WeakPolarHBondContact OE1-CE1 3.31Å; E257-Y343 HydrophobicContact CB-CD2 4.18Å; E257-Y343 HydrophobicContact CB-CE2 4.33Å; E257-Y343 HydrophobicContact CG-CD2 4.49Å; E257-Y343 HydrophobicContact CG-CE2 4.19Å; D258-Y343 PolarHBondContact O-N 3.25Å; R260-Y343 PolarHBondContact N-O 2.81Å; K341-Y343 HydrophobicContact CB-CE2 4.16Å; K341-Y343 HydrophobicContact CD-CD1 4.48Å; K341-Y343 HydrophobicContact CD-CE1 3.93Å; K341-Y343 HydrophobicContact CD-CE2 4.04Å; K341-Y343 HydrophobicContact CG-CD2 4.41Å; K341-Y343 HydrophobicContact CG-CE2 4.09Å; K341-Y343 WeakPolarHBondContact O-CD2 3.49Å; K341-Y343 VanDerWaalsContact O-CE2 3.26Å; K341-Y343 WeakPolarHBondContact O-CE2 3.26Å; K341-Y343 PolarHBondContact O-N 3.39Å
344T95.3Very high75.2Confident69 Ų6960.6 Ų60.642%0.42334%0.344SS..EExtended strand (participates in β ladder)trans-129.7119.2174-630000108.9Q211 R260Q211-T344 PolarHBondContact NE2-O 3.35Å; R260-T344 WeakPolarHBondContact O-CA 2.99Å
345F96.9Very high78.1Confident0 Ų051.2 Ų51.20%030%0.297CS..EExtended strand (participates in β ladder)trans-113.8105.8177-173.3-88.3000108.3Y204 Q211 L213 V226 L228 V259 R260 T262 I263 A347Y204-F345 HydrophobicContact CE2-CB 4.33Å; Y204-F345 HydrophobicContact CE2-CD2 4.11Å; Q211-F345 HydrophobicContact CB-CD2 3.71Å; Q211-F345 HydrophobicContact CB-CE2 3.71Å; L213-F345 HydrophobicContact CB-CD1 3.85Å; L213-F345 HydrophobicContact CB-CD2 3.81Å; L213-F345 HydrophobicContact CB-CE1 3.73Å; L213-F345 HydrophobicContact CB-CE2 3.69Å; L213-F345 HydrophobicContact CB-CG 3.88Å; L213-F345 HydrophobicContact CB-CZ 3.64Å; L213-F345 HydrophobicContact CD2-CD1 3.51Å; L213-F345 HydrophobicContact CD2-CE1 3.81Å; L213-F345 HydrophobicContact CD2-CG 4.06Å; L213-F345 HydrophobicContact CG-CD1 4.28Å; L213-F345 HydrophobicContact CG-CE1 4.43Å; L213-F345 HydrophobicContact CG-CG 4.47Å; V226-F345 HydrophobicContact CB-CE1 4.07Å; V226-F345 HydrophobicContact CB-CZ 3.85Å; V226-F345 HydrophobicContact CG1-CE1 3.93Å; V226-F345 HydrophobicContact CG1-CZ 3.74Å; L228-F345 HydrophobicContact CB-CE2 3.73Å; L228-F345 HydrophobicContact CB-CZ 3.63Å; L228-F345 HydrophobicContact CD2-CE1 4.5Å; L228-F345 HydrophobicContact CD2-CE2 4.21Å; L228-F345 HydrophobicContact CD2-CZ 4.21Å; V259-F345 HydrophobicContact CG1-CB 3.95Å; R260-F345 PolarHBondContact O-N 3Å; T262-F345 PolarHBondContact N-O 3.46Å; I263-F345 HydrophobicContact CG2-CD1 3.99Å; I263-F345 HydrophobicContact CG2-CE1 3.82Å; F345-A347 HydrophobicContact CE1-CB 4.04Å
346K96.3Very high80.9Confident55 Ų5546.3 Ų46.324%0.23926%0.263CS..EExtended strand (participates in β ladder)trans-119.998-179.9-167-160.8178.3-151.90109.8D180 L228 T262 D348D180-K346 VanDerWaalsContact CG-CE 3.48Å; D180-K346 VanDerWaalsContact OD1-CE 3.24Å; D180-K346 WeakPolarHBondContact OD1-CE 3.46Å; D180-K346 IonicContact OD1-NZ 2.62Å; D180-K346 PolarHBondContact OD1-NZ 2.83Å; D180-K346 IonicContact OD2-NZ 2.68Å; L228-K346 VanDerWaalsContact CD2-O 3.29Å; L228-K346 WeakPolarHBondContact CD2-O 3.43Å; T262-K346 HydrophobicContact CG2-CG 3.74Å; T262-K346 CarbonylContact O-C 3.56Å; T262-K346 WeakPolarHBondContact O-CA 3.41Å; K346-D348 HydrophobicContact CD-CB 3.83Å; K346-D348 HydrophobicContact CG-CB 4.05Å; K346-D348 IonicContact NZ-OD2 3.14Å; K346-D348 PolarHBondContact NZ-OD2 3.34Å; K346-D348 PolarHBondContact O-N 2.98Å
347A93.3Very high83.4Confident0 Ų041.9 Ų41.90%023%0.226CC..  trans-75.663.3178.700000111.7F182 L228 T262 I263 F345 H349 F351F182-A347 WeakPolarHBondContact CD2-O 3.22Å; L228-A347 HydrophobicContact CD1-CB 4.02Å; L228-A347 HydrophobicContact CD2-CB 4.39Å; T262-A347 PolarHBondContact O-N 2.91Å; I263-A347 HydrophobicContact CB-CB 4.5Å; I263-A347 HydrophobicContact CG2-CB 4.04Å; F345-A347 HydrophobicContact CE1-CB 4.04Å; A347-H349 VanDerWaalsContact C-N 3.31Å; A347-H349 PolarHBondContact O-N 2.63Å; A347-F351 HydrophobicContact CB-CD1 3.79Å; A347-F351 HydrophobicContact CB-CE1 3.84Å
348D88.9Confident85.6Confident13 Ų1335.2 Ų35.27%0.0719%0.192CC..  trans-89.816.8-176.481-1.4000114.3N181 F182 F183 M194 R232 K346N181-D348 WeakPolarHBondContact O-CB 3.37Å; F182-D348 CarbonylContact C-O 3.53Å; F182-D348 VanDerWaalsContact CA-O 3.24Å; F182-D348 WeakPolarHBondContact CA-O 3.23Å; F183-D348 HydrophobicContact CD2-CB 4.32Å; F183-D348 VanDerWaalsContact CD2-O 3.29Å; F183-D348 WeakPolarHBondContact CD2-O 3.46Å; F183-D348 HydrophobicContact CE2-CB 4.49Å; F183-D348 WeakPolarHBondContact CE2-OD2 3.48Å; F183-D348 PolarHBondContact N-O 2.67Å; M194-D348 HydrophobicContact CE-CB 4.42Å; R232-D348 IonicContact CZ-OD1 3.73Å; R232-D348 IonicContact CZ-OD2 3.66Å; R232-D348 IonicContact NE-OD1 3.86Å; R232-D348 PolarHBondContact NE-OD1 3.33Å; R232-D348 IonicContact NH2-OD1 2.59Å; R232-D348 IonicContact NH2-OD2 3.44Å; R232-D348 PolarHBondContact NH2-OD2 2.95Å; K346-D348 HydrophobicContact CD-CB 3.83Å; K346-D348 HydrophobicContact CG-CB 4.05Å; K346-D348 IonicContact NZ-OD2 3.14Å; K346-D348 PolarHBondContact NZ-OD2 3.34Å; K346-D348 PolarHBondContact O-N 2.98Å
349H84.6Confident87.3Confident9 Ų934.2 Ų34.24%0.04219%0.187CC..SBendtrans-164.2169.4-179.458.2-89.6000110.1F182 F183 L228 P229 R232 A347 F351F182-H349 VanDerWaalsContact CE2-O 3.27Å; F182-H349 WeakPolarHBondContact CE2-O 3.5Å; F183-H349 HydrophobicContact CB-CB 4.38Å; F183-H349 WeakPolarHBondContact O-CB 3.29Å; L228-H349 WeakPolarHBondContact CD1-NE2 3.49Å; P229-H349 PolarHBondContact O-CE1 3.11Å; P229-H349 PolarHBondContact O-NE2 3.01Å; R232-H349 HydrophobicContact CG-CB 3.6Å; R232-H349 VanDerWaalsContact O-CB 3.3Å; R232-H349 WeakPolarHBondContact O-CB 3.29Å; R232-H349 PolarHBondContact O-CD2 2.82Å; R232-H349 VanDerWaalsContact O-CG 3.3Å; A347-H349 VanDerWaalsContact C-N 3.31Å; A347-H349 PolarHBondContact O-N 2.63Å; H349-F351 WeakPolarHBondContact O-CD1 3.39Å; H349-F351 PolarHBondContact O-N 2.92Å
350P84.7Confident89Confident0 Ų030.8 Ų30.80%016%0.156CC..  trans-53.8132.5-173.1-32.138.2000115.7F182 F183 P229 L235 F369 K608F182-P350 HydrophobicContact CE1-CG 4.08Å; F182-P350 HydrophobicContact CZ-CG 4.1Å; F183-P350 VanDerWaalsContact O-CD 3.24Å; F183-P350 WeakPolarHBondContact O-CD 3.36Å; P229-P350 WeakPolarHBondContact CD-O 3.35Å; L235-P350 HydrophobicContact CD2-CB 3.71Å; P350-F369 VanDerWaalsContact CA-O 3.25Å; P350-F369 WeakPolarHBondContact CA-O 3.43Å; P350-F369 WeakPolarHBondContact CB-O 3.25Å; P350-K608 HydrophobicContact CB-CD 4.22Å; P350-K608 HydrophobicContact CG-CD 3.89Å
351F91.3Very high90.2Very high1 Ų126.6 Ų26.60%0.00414%0.136CC..EExtended strand (participates in β ladder)trans-138.1161.2-174.657.4-104.4000112.2F182 V226 V227 L228 P264 F266 A347 H349 F353 R368 F369F182-F351 HydrophobicContact CE2-CD1 4.31Å; F182-F351 HydrophobicContact CE2-CE1 4.09Å; V226-F351 HydrophobicContact CG1-CB 4.17Å; V226-F351 HydrophobicContact CG1-CD1 4.35Å; V226-F351 HydrophobicContact CG1-CD2 3.57Å; V226-F351 HydrophobicContact CG1-CE2 3.98Å; V226-F351 HydrophobicContact CG1-CG 3.79Å; V227-F351 WeakPolarHBondContact O-CB 3.47Å; L228-F351 HydrophobicContact CD1-CB 3.96Å; L228-F351 HydrophobicContact CD1-CD1 4.4Å; P264-F351 HydrophobicContact CG-CE1 3.58Å; P264-F351 HydrophobicContact CG-CZ 3.74Å; F266-F351 HydrophobicContact CD1-CZ 4.33Å; F266-F351 HydrophobicContact CE1-CE2 4.06Å; F266-F351 AromaticContact CE1-CZ 3.81Å; F266-F351 HydrophobicContact CE1-CZ 3.81Å; F266-F351 HydrophobicContact CZ-CE2 4.37Å; A347-F351 HydrophobicContact CB-CD1 3.79Å; A347-F351 HydrophobicContact CB-CE1 3.84Å; H349-F351 WeakPolarHBondContact O-CD1 3.39Å; H349-F351 PolarHBondContact O-N 2.92Å; F351-F353 HydrophobicContact CD2-CB 4.29Å; F351-F353 HydrophobicContact CD2-CD1 4.4Å; F351-F353 HydrophobicContact CE2-CB 4.19Å; F351-F353 HydrophobicContact CE2-CD1 4.02Å; F351-F353 HydrophobicContact CE2-CG 4.49Å; F351-R368 WeakPolarHBondContact O-CA 3.36Å; F351-F369 HydrophobicContact CD2-CB 4.05Å; F351-F369 HydrophobicContact CE1-CB 4.08Å; F351-F369 AromaticContact CE1-CD1 3.69Å; F351-F369 HydrophobicContact CE1-CD1 3.69Å; F351-F369 HydrophobicContact CE1-CG 4.26Å; F351-F369 HydrophobicContact CE2-CB 3.54Å; F351-F369 HydrophobicContact CE2-CG 4.33Å; F351-F369 HydrophobicContact CZ-CB 3.56Å; F351-F369 AromaticContact CZ-CD1 3.7Å; F351-F369 HydrophobicContact CZ-CD1 3.7Å; F351-F369 AromaticContact CZ-CG 3.86Å; F351-F369 HydrophobicContact CZ-CG 3.86Å; F351-F369 PolarHBondContact N-O 3.48Å; F351-F369 PolarHBondContact O-N 2.85Å
352I94.1Very high90.5Very high1 Ų121 Ų211%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-90.2144167-42.1-173000108.2W12 Y15 V227 L235 E239 L242 L366 G367W12-I352 HydrophobicContact CH2-CD1 3.79Å; W12-I352 HydrophobicContact CZ3-CD1 4.04Å; Y15-I352 HydrophobicContact CE2-CG2 4.08Å; V227-I352 HydrophobicContact CB-CB 4.32Å; V227-I352 PolarHBondContact N-O 2.92Å; V227-I352 PolarHBondContact O-N 3.27Å; V227-I352 VanDerWaalsContact O-N 3.09Å; L235-I352 HydrophobicContact CD1-CD1 4.44Å; L235-I352 HydrophobicContact CD1-CG1 3.74Å; E239-I352 HydrophobicContact CG-CD1 3.96Å; L242-I352 HydrophobicContact CD1-CD1 3.57Å; I352-L366 HydrophobicContact CG2-CD1 4.08Å; I352-G367 WeakPolarHBondContact CA-O 3.35Å; I352-G367 VanDerWaalsContact CG2-O 3.3Å; I352-G367 WeakPolarHBondContact CG2-O 3.41Å
353F94.5Very high90.6Very high1 Ų118.7 Ų18.70%0.00410%0.097CC..EExtended strand (participates in β ladder)trans-133.5151.9168.570.5-87.6000111.6V24 M224 Y225 F266 L268 I314 F351 G367V24-F353 HydrophobicContact CB-CZ 3.99Å; V24-F353 HydrophobicContact CG2-CE2 3.94Å; V24-F353 HydrophobicContact CG2-CZ 3.81Å; M224-F353 HydrophobicContact CE-CB 3.73Å; M224-F353 HydrophobicContact CE-CD2 3.76Å; M224-F353 HydrophobicContact CE-CG 3.85Å; Y225-F353 CarbonylContact O-C 3.56Å; Y225-F353 WeakPolarHBondContact O-CA 3.2Å; Y225-F353 WeakPolarHBondContact O-CB 3.18Å; F266-F353 HydrophobicContact CE2-CD1 4.42Å; F266-F353 AromaticContact CE2-CE1 3.92Å; F266-F353 HydrophobicContact CE2-CE1 3.92Å; F266-F353 HydrophobicContact CE2-CE2 4.39Å; F266-F353 AromaticContact CE2-CZ 3.9Å; F266-F353 HydrophobicContact CE2-CZ 3.9Å; F266-F353 AromaticContact CZ-CD1 3.96Å; F266-F353 HydrophobicContact CZ-CD1 3.96Å; F266-F353 HydrophobicContact CZ-CD2 4.41Å; F266-F353 AromaticContact CZ-CE1 3.93Å; F266-F353 HydrophobicContact CZ-CE1 3.93Å; F266-F353 HydrophobicContact CZ-CE2 4.39Å; F266-F353 HydrophobicContact CZ-CG 4.2Å; F266-F353 HydrophobicContact CZ-CZ 4.15Å; L268-F353 HydrophobicContact CD1-CE1 3.9Å; L268-F353 HydrophobicContact CD1-CZ 3.94Å; I314-F353 HydrophobicContact CD1-CE2 3.78Å; I314-F353 HydrophobicContact CD1-CZ 4.5Å; F351-F353 HydrophobicContact CD2-CB 4.29Å; F351-F353 HydrophobicContact CD2-CD1 4.4Å; F351-F353 HydrophobicContact CE2-CB 4.19Å; F351-F353 HydrophobicContact CE2-CD1 4.02Å; F351-F353 HydrophobicContact CE2-CG 4.49Å; F353-G367 PolarHBondContact N-O 2.87Å; F353-G367 PolarHBondContact O-N 2.61Å
354A95.3Very high90.3Very high1 Ų116.7 Ų16.71%0.0089%0.09CC..EExtended strand (participates in β ladder)trans-142.6143.917700000110.6M224 Y225 F251 V356 I363 F365 L366M224-A354 CarbonylContact C-O 3.59Å; M224-A354 WeakPolarHBondContact CA-O 3.49Å; Y225-A354 PolarHBondContact N-O 3.18Å; Y225-A354 PolarHBondContact O-N 3.43Å; F251-A354 HydrophobicContact CE2-CB 4.06Å; F251-A354 HydrophobicContact CZ-CB 3.82Å; A354-V356 HydrophobicContact CB-CG2 3.99Å; A354-I363 HydrophobicContact CB-CG2 4.31Å; A354-F365 CarbonylContact C-O 3.53Å; A354-F365 WeakPolarHBondContact CA-O 3.48Å; A354-L366 HydrophobicContact CB-CD1 4Å
355I91.3Very high90.1Very high0 Ų013.4 Ų13.40%07%0.07CC..EExtended strand (participates in β ladder)trans-103.3124.3165.8-63172.3000106.9F164 Y217 M224 I314 L364 F365F164-I355 HydrophobicContact CD1-CD1 3.9Å; F164-I355 HydrophobicContact CE1-CD1 3.78Å; F164-I355 HydrophobicContact CZ-CD1 4.48Å; F164-I355 HydrophobicContact CZ-CG2 4.37Å; Y217-I355 HydrophobicContact CE2-CG1 4.47Å; Y217-I355 HydrophobicContact CE2-CG2 4.05Å; Y217-I355 WeakPolarHBondContact OH-CD1 3.35Å; M224-I355 HydrophobicContact CB-CG1 4.32Å; M224-I355 HydrophobicContact CG-CG1 4.32Å; I314-I355 HydrophobicContact CD1-CD1 3.93Å; I355-L364 HydrophobicContact CG2-CB 4.4Å; I355-L364 HydrophobicContact CG2-CD1 4.26Å; I355-L364 WeakPolarHBondContact O-CB 3.41Å; I355-L364 PolarHBondContact O-N 3.17Å; I355-F365 HydrophobicContact CB-CB 4.14Å; I355-F365 HydrophobicContact CB-CD2 4.06Å; I355-F365 HydrophobicContact CD1-CB 4.36Å; I355-F365 HydrophobicContact CD1-CD2 3.92Å; I355-F365 HydrophobicContact CD1-CG 4.3Å; I355-F365 HydrophobicContact CG1-CB 4.38Å; I355-F365 HydrophobicContact CG1-CD2 4.48Å; I355-F365 HydrophobicContact CG2-CD2 4.49Å; I355-F365 PolarHBondContact N-O 2.76Å; I355-F365 PolarHBondContact O-N 2.87Å
356V91.6Very high89.9Confident0 Ų013.5 Ų13.50%07%0.07CC..EExtended strand (participates in β ladder)trans-129.3132.9-170.2-171.80000110.1M222 R223 Y225 L248 F251 A354 M358 V362 I363M222-V356 WeakPolarHBondContact CA-O 3.47Å; R223-V356 PolarHBondContact N-O 3.49Å; R223-V356 PolarHBondContact O-N 3.44Å; Y225-V356 HydrophobicContact CD2-CB 4.27Å; Y225-V356 HydrophobicContact CD2-CG2 3.99Å; Y225-V356 HydrophobicContact CE2-CB 4.34Å; Y225-V356 HydrophobicContact CE2-CG2 4.48Å; L248-V356 HydrophobicContact CD2-CG1 4.48Å; F251-V356 HydrophobicContact CD2-CG2 3.84Å; F251-V356 HydrophobicContact CE2-CG2 3.67Å; A354-V356 HydrophobicContact CB-CG2 3.99Å; V356-M358 HydrophobicContact CB-SD 4.18Å; V356-M358 HydrophobicContact CG1-SD 3.76Å; V356-V362 WeakPolarHBondContact CA-O 3.41Å; V356-I363 HydrophobicContact CG2-CG1 4.28Å
357N87.3Confident89.6Confident4 Ų410.9 Ų10.92%0.0216%0.058CC..EExtended strand (participates in β ladder)trans-83.3113.9164.4-179.7-23.8000108.2M222 D359 T360 N361 V362 L364M222-N357 HydrophobicContact CG-CB 4.25Å; M222-N357 HydrophobicContact SD-CB 4.26Å; N357-D359 WeakPolarHBondContact OD1-CB 3.48Å; N357-D359 PolarHBondContact OD1-N 3.25Å; N357-T360 PolarHBondContact OD1-N 2.91Å; N357-N361 CarbonylContact O-C 3.55Å; N357-N361 WeakPolarHBondContact O-CA 3.47Å; N357-N361 PolarHBondContact O-N 3.3Å; N357-V362 PolarHBondContact N-O 2.92Å; N357-V362 PolarHBondContact O-N 2.77Å; N357-L364 HydrophobicContact CB-CD1 4.23Å
358M87.2Confident89.3Confident25 Ų2511.3 Ų11.312%0.1236%0.06CC..THydrogen-bonded Turntrans-81.8-12.9-175.4-59.8-60.9-60.100113.9N221 R223 Y225 V356N221-M358 VanDerWaalsContact O-CB 3.23Å; N221-M358 WeakPolarHBondContact O-CB 3.44Å; N221-M358 WeakPolarHBondContact O-CG 3.41Å; N221-M358 PolarHBondContact O-N 3.39Å; R223-M358 HydrophobicContact CG-CG 4.17Å; Y225-M358 HydrophobicContact CE2-SD 3.6Å; Y225-M358 VanDerWaalsContact CE2-SD 3.6Å; V356-M358 HydrophobicContact CB-SD 4.18Å; V356-M358 HydrophobicContact CG1-SD 3.76Å
359D84.1Confident88.5Confident109 Ų10910.9 Ų10.958%0.5836%0.058SC*.THydrogen-bonded Turntrans-74.5-34.1174.1-59.6-42.7000110.9N221 N357N221-D359 VanDerWaalsContact CB-OD1 3.31Å; N221-D359 WeakPolarHBondContact CB-OD1 3.4Å; N221-D359 VanDerWaalsContact CB-OD2 3.26Å; N221-D359 WeakPolarHBondContact CB-OD2 3.46Å; N221-D359 PolarHBondContact ND2-OD1 3.27Å; N357-D359 WeakPolarHBondContact OD1-CB 3.48Å; N357-D359 PolarHBondContact OD1-N 3.25Å
360T85.3Confident87.6Confident30 Ų3010.5 Ų10.518%0.1846%0.056CC..THydrogen-bonded Turntrans-109-6.7178.461.40000114.3L69 S73 N357 V362L69-T360 HydrophobicContact CD1-CG2 3.89Å; S73-T360 WeakPolarHBondContact OG-CB 3.37Å; S73-T360 WeakPolarHBondContact OG-CG2 3.48Å; S73-T360 PolarHBondContact OG-OG1 3.09Å; N357-T360 PolarHBondContact OD1-N 2.91Å; T360-V362 PolarHBondContact O-N 2.76Å; T360-V362 WeakPolarHBondContact OG1-CG2 3.46Å
361N88.1Confident85.8Confident28 Ų2811.1 Ų11.115%0.156%0.061CC..THydrogen-bonded Turntrans56.629.3-172.4-61-89000113.9L248 K252 N357L248-N361 HydrophobicContact CD2-CB 4.48Å; L248-N361 WeakPolarHBondContact CD2-O 3.5Å; K252-N361 WeakPolarHBondContact CE-OD1 3.26Å; N357-N361 CarbonylContact O-C 3.55Å; N357-N361 WeakPolarHBondContact O-CA 3.47Å; N357-N361 PolarHBondContact O-N 3.3Å
362V87.9Confident84.3Confident1 Ų112.1 Ų12.11%0.0067%0.066CC..EExtended strand (participates in β ladder)trans-93.5128.3-177.4174.10000110.9L7 V28 V356 N357 T360 L364L7-V362 HydrophobicContact CD1-CG2 4.24Å; V28-V362 HydrophobicContact CG2-CG1 3.26Å; V356-V362 WeakPolarHBondContact CA-O 3.41Å; N357-V362 PolarHBondContact N-O 2.92Å; N357-V362 PolarHBondContact O-N 2.77Å; T360-V362 PolarHBondContact O-N 2.76Å; T360-V362 WeakPolarHBondContact OG1-CG2 3.46Å; V362-L364 HydrophobicContact CG1-CD2 4.32Å; V362-L364 PolarHBondContact O-N 2.82Å
363I90.6Very high82.6Confident4 Ų413 Ų132%0.0217%0.07CC..EExtended strand (participates in β ladder)trans-80.4101.8175.1-59.2173000108.9A8 P27 L248 A354 V356 F365 L366A8-I363 HydrophobicContact CB-CD1 3.9Å; P27-I363 HydrophobicContact CG-CG2 4.35Å; L248-I363 HydrophobicContact CD2-CD1 4.24Å; L248-I363 HydrophobicContact CD2-CG1 4.05Å; A354-I363 HydrophobicContact CB-CG2 4.31Å; V356-I363 HydrophobicContact CG2-CG1 4.28Å; I363-F365 VanDerWaalsContact CG2-O 3.31Å; I363-F365 WeakPolarHBondContact CG2-O 3.21Å; I363-L366 HydrophobicContact CG2-CB 4.03Å
364L88.1Confident81Confident0 Ų013.9 Ų13.90%08%0.077CC..EExtended strand (participates in β ladder)trans-75.4-39.2-178-61.9172.8000112.1S26 V28 M77 W86 M222 I355 N357 V362S26-L364 WeakPolarHBondContact CA-O 3.41Å; S26-L364 VanDerWaalsContact CB-O 3.27Å; S26-L364 WeakPolarHBondContact CB-O 3.42Å; S26-L364 PolarHBondContact OG-O 2.83Å; V28-L364 HydrophobicContact CG2-CD2 4.23Å; M77-L364 HydrophobicContact CE-CD1 3.89Å; M77-L364 HydrophobicContact CE-CD2 3.69Å; M77-L364 HydrophobicContact CE-CG 4.42Å; M77-L364 HydrophobicContact SD-CD1 3.5Å; M77-L364 WeakPolarHBondContact SD-CD1 3.38Å; M77-L364 HydrophobicContact SD-CD2 4.42Å; W86-L364 HydrophobicContact CZ2-CD2 4.35Å; M222-L364 HydrophobicContact SD-CD1 3.47Å; M222-L364 WeakPolarHBondContact SD-CD1 3.48Å; I355-L364 HydrophobicContact CG2-CB 4.4Å; I355-L364 HydrophobicContact CG2-CD1 4.26Å; I355-L364 WeakPolarHBondContact O-CB 3.41Å; I355-L364 PolarHBondContact O-N 3.17Å; N357-L364 HydrophobicContact CB-CD1 4.23Å; V362-L364 HydrophobicContact CG1-CD2 4.32Å; V362-L364 PolarHBondContact O-N 2.82Å
365F90.3Very high79.7Confident0 Ų014.8 Ų14.80%08%0.08CC..EExtended strand (participates in β ladder)trans-135.4144.9172.3-66.2-99.3000109.6V24 F25 W86 I162 F164 T312 A354 I355 I363V24-F365 HydrophobicContact CG2-CD1 4.19Å; F25-F365 WeakPolarHBondContact O-CA 3.14Å; W86-F365 AromaticContact NE1-CE2 3.71Å; I162-F365 HydrophobicContact CD1-CE1 3.88Å; I162-F365 HydrophobicContact CD1-CE2 3.99Å; I162-F365 HydrophobicContact CD1-CZ 3.39Å; I162-F365 HydrophobicContact CG1-CE1 4.25Å; I162-F365 HydrophobicContact CG1-CZ 3.82Å; I162-F365 HydrophobicContact CG2-CE1 4.05Å; I162-F365 HydrophobicContact CG2-CZ 4.48Å; F164-F365 HydrophobicContact CB-CE2 3.37Å; F164-F365 HydrophobicContact CB-CZ 3.39Å; F164-F365 HydrophobicContact CD1-CE2 4.49Å; F164-F365 HydrophobicContact CD2-CE2 4.33Å; F164-F365 AromaticContact CG-CE2 3.86Å; F164-F365 HydrophobicContact CG-CE2 3.86Å; F164-F365 HydrophobicContact CG-CZ 4.34Å; T312-F365 HydrophobicContact CG2-CD1 3.89Å; T312-F365 HydrophobicContact CG2-CE1 3.76Å; A354-F365 CarbonylContact C-O 3.53Å; A354-F365 WeakPolarHBondContact CA-O 3.48Å; I355-F365 HydrophobicContact CB-CB 4.14Å; I355-F365 HydrophobicContact CB-CD2 4.06Å; I355-F365 HydrophobicContact CD1-CB 4.36Å; I355-F365 HydrophobicContact CD1-CD2 3.92Å; I355-F365 HydrophobicContact CD1-CG 4.3Å; I355-F365 HydrophobicContact CG1-CB 4.38Å; I355-F365 HydrophobicContact CG1-CD2 4.48Å; I355-F365 HydrophobicContact CG2-CD2 4.49Å; I355-F365 PolarHBondContact N-O 2.76Å; I355-F365 PolarHBondContact O-N 2.87Å; I363-F365 VanDerWaalsContact CG2-O 3.31Å; I363-F365 WeakPolarHBondContact CG2-O 3.21Å
366L93Very high78.6Confident1 Ų118.5 Ų18.51%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-132.7142.2170.3-173.360.6000108.7S11 W12 Y15 F25 P27 L247 I352 A354 I363S11-L366 WeakPolarHBondContact O-CD2 3.13Å; W12-L366 HydrophobicContact CE3-CD2 4.34Å; Y15-L366 HydrophobicContact CD2-CD2 3.99Å; Y15-L366 HydrophobicContact CD2-CG 3.88Å; Y15-L366 HydrophobicContact CG-CD2 4.21Å; F25-L366 HydrophobicContact CE1-CB 4.45Å; F25-L366 HydrophobicContact CE2-CB 4.49Å; F25-L366 HydrophobicContact CZ-CB 4.17Å; F25-L366 HydrophobicContact CZ-CD2 4.14Å; F25-L366 HydrophobicContact CZ-CG 4.42Å; F25-L366 PolarHBondContact N-O 2.81Å; F25-L366 PolarHBondContact O-N 2.88Å; P27-L366 HydrophobicContact CG-CB 4.28Å; L247-L366 HydrophobicContact CD1-CD1 4Å; I352-L366 HydrophobicContact CG2-CD1 4.08Å; A354-L366 HydrophobicContact CB-CD1 4Å; I363-L366 HydrophobicContact CG2-CB 4.03Å
367G89.8Confident77.4Confident0 Ų018.5 Ų18.50%010%0.096CC..EExtended strand (participates in β ladder)trans-165.3167.3-177.500000114.2I23 I352 F353I23-G367 CarbonylContact O-C 3.59Å; I23-G367 WeakPolarHBondContact O-CA 3.23Å; I352-G367 WeakPolarHBondContact CA-O 3.35Å; I352-G367 VanDerWaalsContact CG2-O 3.3Å; I352-G367 WeakPolarHBondContact CG2-O 3.41Å; F353-G367 PolarHBondContact N-O 2.87Å; F353-G367 PolarHBondContact O-N 2.61Å
368R87.4Confident76.7Confident9 Ų918.5 Ų18.53%0.03410%0.096CC..EExtended strand (participates in β ladder)trans-127137173.1128.9179.876.2-135.80.1108.4Y15 Q18 P19 D21 S22 I23 E239 F351Y15-R368 HydrophobicContact CE2-CB 3.92Å; Y15-R368 WeakPolarHBondContact OH-CB 3.41Å; Y15-R368 PolarHBondContact OH-NH1 3.23Å; Q18-R368 PolarHBondContact O-NH2 3Å; Q18-R368 VanDerWaalsContact O-NH2 3.16Å; P19-R368 PolarHBondContact O-NH2 3.35Å; D21-R368 WeakPolarHBondContact O-CD 3.42Å; D21-R368 WeakPolarHBondContact O-CG 3.46Å; D21-R368 PolarHBondContact O-NE 3.11Å; S22-R368 VanDerWaalsContact CA-O 3.3Å; S22-R368 WeakPolarHBondContact CA-O 3.5Å; I23-R368 HydrophobicContact CG1-CB 4.29Å; I23-R368 PolarHBondContact N-O 2.84Å; I23-R368 PolarHBondContact O-N 2.87Å; E239-R368 IonicContact OE1-CZ 2.71Å; E239-R368 IonicContact OE1-NH1 3.18Å; E239-R368 PolarHBondContact OE1-NH1 2.87Å; E239-R368 IonicContact OE2-NH1 2.69Å; F351-R368 WeakPolarHBondContact O-CA 3.36Å
369F72.8Confident75.8Confident5 Ų520.5 Ų20.52%0.02212%0.117CC..EExtended strand (participates in β ladder)trans-104.6113.7175.5-174.2-109.9000110.1F182 I192 P264 F266 L268 P350 F351 A371F182-F369 HydrophobicContact CD2-CE1 4.34Å; F182-F369 HydrophobicContact CE1-CD1 4.34Å; F182-F369 HydrophobicContact CE1-CE1 4.15Å; F182-F369 AromaticContact CE2-CD1 3.72Å; F182-F369 HydrophobicContact CE2-CD1 3.72Å; F182-F369 AromaticContact CE2-CE1 3.78Å; F182-F369 HydrophobicContact CE2-CE1 3.78Å; F182-F369 AromaticContact CZ-CD1 3.51Å; F182-F369 HydrophobicContact CZ-CD1 3.51Å; F182-F369 AromaticContact CZ-CE1 3.66Å; F182-F369 HydrophobicContact CZ-CE1 3.66Å; I192-F369 HydrophobicContact CD1-CE1 3.99Å; I192-F369 HydrophobicContact CD1-CZ 4.38Å; P264-F369 HydrophobicContact CB-CE1 4.26Å; P264-F369 HydrophobicContact CG-CD1 4.11Å; P264-F369 HydrophobicContact CG-CE1 3.92Å; F266-F369 HydrophobicContact CB-CD2 4.02Å; F266-F369 HydrophobicContact CB-CE2 3.46Å; F266-F369 VanDerWaalsContact CB-CE2 3.46Å; F266-F369 HydrophobicContact CB-CZ 3.85Å; F266-F369 HydrophobicContact CD1-CD2 4.3Å; F266-F369 HydrophobicContact CD1-CE2 4.46Å; F266-F369 HydrophobicContact CD1-CG 4.47Å; F266-F369 HydrophobicContact CD2-CD2 4.02Å; F266-F369 HydrophobicContact CD2-CE2 4.29Å; F266-F369 AromaticContact CG-CD2 3.88Å; F266-F369 HydrophobicContact CG-CD2 3.88Å; F266-F369 AromaticContact CG-CE2 3.87Å; F266-F369 HydrophobicContact CG-CE2 3.87Å; F266-F369 HydrophobicContact CG-CG 4.49Å; F266-F369 HydrophobicContact CG-CZ 4.45Å; L268-F369 HydrophobicContact CD1-CD2 4.37Å; L268-F369 HydrophobicContact CD2-CD2 4.47Å; P350-F369 VanDerWaalsContact CA-O 3.25Å; P350-F369 WeakPolarHBondContact CA-O 3.43Å; P350-F369 WeakPolarHBondContact CB-O 3.25Å; F351-F369 HydrophobicContact CD2-CB 4.05Å; F351-F369 HydrophobicContact CE1-CB 4.08Å; F351-F369 AromaticContact CE1-CD1 3.69Å; F351-F369 HydrophobicContact CE1-CD1 3.69Å; F351-F369 HydrophobicContact CE1-CG 4.26Å; F351-F369 HydrophobicContact CE2-CB 3.54Å; F351-F369 HydrophobicContact CE2-CG 4.33Å; F351-F369 HydrophobicContact CZ-CB 3.56Å; F351-F369 AromaticContact CZ-CD1 3.7Å; F351-F369 HydrophobicContact CZ-CD1 3.7Å; F351-F369 AromaticContact CZ-CG 3.86Å; F351-F369 HydrophobicContact CZ-CG 3.86Å; F351-F369 PolarHBondContact N-O 3.48Å; F351-F369 PolarHBondContact O-N 2.85Å; F369-A371 HydrophobicContact CE1-CB 4.09Å; F369-A371 HydrophobicContact CZ-CB 3.87Å
370S64Low75.1Confident1 Ų117.8 Ų17.81%0.00710%0.102CC..  trans-138.2106.3177.3-174.20000109S22 E372S22-S370 VanDerWaalsContact OG-C 3.26Å; S22-S370 PolarHBondContact OG-N 2.78Å; S22-S370 PolarHBondContact OG-O 2.63Å; S370-E372 PolarHBondContact O-N 3.11Å; S370-E372 VanDerWaalsContact O-N 3.11Å
371A47.4Very low74.3Confident13 Ų1317.8 Ų17.811%0.10710%0.1CC..  trans-88.281.2-163.800000112.4F182 I190 F369F182-A371 HydrophobicContact CD1-CB 4.03Å; F182-A371 HydrophobicContact CE1-CB 3.87Å; I190-A371 HydrophobicContact CD1-CB 3.66Å; F369-A371 HydrophobicContact CE1-CB 4.09Å; F369-A371 HydrophobicContact CZ-CB 3.87Å
372E60.6Low73Confident21 Ų2119.3 Ų19.310%0.09811%0.111CC..  trans-110.5127.1-178.4-66.4-149.386.500114.2V184 S370 K376 S606 G607 K608V184-E372 HydrophobicContact CG1-CG 3.94Å; S370-E372 PolarHBondContact O-N 3.11Å; S370-E372 VanDerWaalsContact O-N 3.11Å; E372-K376 WeakPolarHBondContact O-CD 3.13Å; E372-K376 VanDerWaalsContact O-CE 3.24Å; E372-K376 WeakPolarHBondContact O-CE 3.41Å; E372-K376 WeakPolarHBondContact O-CG 3.34Å; E372-S606 WeakPolarHBondContact OE2-CB 3.32Å; E372-G607 WeakPolarHBondContact OE1-CA 3.47Å; E372-G607 VanDerWaalsContact OE2-CA 3.26Å; E372-G607 WeakPolarHBondContact OE2-CA 3.14Å; E372-G607 PolarHBondContact OE2-N 2.69Å; E372-K608 PolarHBondContact OE1-N 2.71Å; E372-K608 VanDerWaalsContact OE1-N 3.16Å; E372-K608 PolarHBondContact OE2-N 2.81Å
373F58.6Low71.7Confident21 Ų2125.7 Ų25.79%0.09214%0.141CC..SBendtrans-94.3-48.4166167.4-112.3000111.4W375 K376 L377 V393 F394 L397 V415 L416F373-W375 PolarHBondContact O-N 2.89Å; F373-K376 PolarHBondContact O-N 3Å; F373-L377 HydrophobicContact CZ-CD2 4.22Å; F373-L377 PolarHBondContact O-N 2.92Å; F373-V393 HydrophobicContact CE1-CG1 4.46Å; F373-V393 HydrophobicContact CZ-CG1 3.94Å; F373-F394 HydrophobicContact CD1-CB 4.46Å; F373-F394 HydrophobicContact CD1-CD2 4.17Å; F373-F394 HydrophobicContact CE1-CB 4.1Å; F373-L397 HydrophobicContact CE2-CD1 4.19Å; F373-L397 HydrophobicContact CZ-CD1 3.92Å; F373-V415 HydrophobicContact CD2-CG1 4.18Å; F373-V415 WeakPolarHBondContact CD2-O 3.38Å; F373-V415 HydrophobicContact CE2-CG1 3.93Å; F373-L416 HydrophobicContact CE1-CD2 4.44Å; F373-L416 HydrophobicContact CE2-CD2 4.46Å; F373-L416 HydrophobicContact CZ-CD2 4.33Å
374A60.4Low70.6Confident19 Ų1929.4 Ų29.416%0.15716%0.158CC..Hα-helixtrans-57.5-50.8-172.900000113.1K376 L377 Y378 F388 P390A374-K376 VanDerWaalsContact C-N 3.32Å; A374-K376 PolarHBondContact O-N 2.68Å; A374-L377 PolarHBondContact O-N 3.27Å; A374-Y378 PolarHBondContact O-N 2.79Å; A374-F388 WeakPolarHBondContact O-CZ 3.43Å; A374-P390 HydrophobicContact CB-CB 3.63Å; A374-P390 HydrophobicContact CB-CG 3.92Å
375W68.7Low69.7Low19 Ų1930 Ų307%0.07216%0.161CC..Hα-helixtrans-66.7-32.1179.7-164-107.7000113.2F373 Y378 A379 L605 L610 L715 L729F373-W375 PolarHBondContact O-N 2.89Å; W375-Y378 HydrophobicContact CD2-CD1 4.31Å; W375-Y378 HydrophobicContact CE3-CD1 4.01Å; W375-Y378 HydrophobicContact CE3-CG 4.39Å; W375-Y378 AromaticContact CH2-CD1 3.9Å; W375-Y378 HydrophobicContact CH2-CD1 3.9Å; W375-Y378 AromaticContact CH2-CE1 3.79Å; W375-Y378 HydrophobicContact CH2-CE1 3.79Å; W375-Y378 HydrophobicContact CZ2-CD1 4.2Å; W375-Y378 HydrophobicContact CZ2-CE1 4.25Å; W375-Y378 AromaticContact CZ3-CD1 3.8Å; W375-Y378 HydrophobicContact CZ3-CD1 3.8Å; W375-Y378 HydrophobicContact CZ3-CE1 4.01Å; W375-Y378 HydrophobicContact CZ3-CG 4.35Å; W375-Y378 PolarHBondContact O-N 2.94Å; W375-A379 VanDerWaalsContact O-CB 3.29Å; W375-A379 WeakPolarHBondContact O-CB 2.9Å; W375-A379 PolarHBondContact O-N 2.91Å; W375-L605 HydrophobicContact CH2-CB 3.82Å; W375-L605 HydrophobicContact CH2-CD1 4.24Å; W375-L605 HydrophobicContact CZ2-CB 3.51Å; W375-L605 PolarHBondContact NE1-O 3.29Å; W375-L610 HydrophobicContact CE3-CD2 4.33Å; W375-L610 HydrophobicContact CZ3-CD2 4Å; W375-L715 HydrophobicContact CH2-CD2 4.12Å; W375-L715 HydrophobicContact CZ3-CD1 4.49Å; W375-L715 HydrophobicContact CZ3-CD2 4.07Å; W375-L729 HydrophobicContact CE3-CD2 4.06Å; W375-L729 HydrophobicContact CZ3-CD2 4.29Å
376K67.8Low69.1Low79 Ų7930 Ų3034%0.34316%0.162SC..Hα-helixtrans-69.2-37.2176.9-67.6-173.9-173.3176.90112.7E372 F373 A374 L380 L644E372-K376 WeakPolarHBondContact O-CD 3.13Å; E372-K376 VanDerWaalsContact O-CE 3.24Å; E372-K376 WeakPolarHBondContact O-CE 3.41Å; E372-K376 WeakPolarHBondContact O-CG 3.34Å; F373-K376 PolarHBondContact O-N 3Å; A374-K376 VanDerWaalsContact C-N 3.32Å; A374-K376 PolarHBondContact O-N 2.68Å; K376-L380 WeakPolarHBondContact O-CG 3.37Å; K376-L644 HydrophobicContact CB-CD2 3.84Å; K376-L644 HydrophobicContact CD-CD2 4.42Å
377L66.3Low68.6Low0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-68.5-42173.6-160.873.4000110.4F373 A374 L380 F388 V393 L637 L641 L644F373-L377 HydrophobicContact CZ-CD2 4.22Å; F373-L377 PolarHBondContact O-N 2.92Å; A374-L377 PolarHBondContact O-N 3.27Å; L377-L380 PolarHBondContact O-N 2.76Å; L377-F388 HydrophobicContact CB-CE2 4.17Å; L377-F388 HydrophobicContact CB-CZ 4.08Å; L377-F388 HydrophobicContact CD2-CD2 3.97Å; L377-F388 HydrophobicContact CD2-CE2 3.71Å; L377-F388 HydrophobicContact CD2-CZ 4.31Å; L377-F388 HydrophobicContact CG-CE2 4.36Å; L377-F388 HydrophobicContact CG-CZ 4.49Å; L377-V393 HydrophobicContact CD2-CB 4.45Å; L377-V393 HydrophobicContact CD2-CG1 3.99Å; L377-V393 HydrophobicContact CD2-CG2 4.4Å; L377-L637 HydrophobicContact CD2-CD2 4.38Å; L377-L641 HydrophobicContact CD1-CD2 4.14Å; L377-L644 HydrophobicContact CD1-CD1 3.86Å
378Y71.4Confident68.3Low4 Ų430 Ų302%0.01616%0.161CC..Hα-helixtrans-59.6-47.5176.2177.7-89.8000113.2A374 W375 L380 E381 F388 E602 L715 L729 R731A374-Y378 PolarHBondContact O-N 2.79Å; W375-Y378 HydrophobicContact CD2-CD1 4.31Å; W375-Y378 HydrophobicContact CE3-CD1 4.01Å; W375-Y378 HydrophobicContact CE3-CG 4.39Å; W375-Y378 AromaticContact CH2-CD1 3.9Å; W375-Y378 HydrophobicContact CH2-CD1 3.9Å; W375-Y378 AromaticContact CH2-CE1 3.79Å; W375-Y378 HydrophobicContact CH2-CE1 3.79Å; W375-Y378 HydrophobicContact CZ2-CD1 4.2Å; W375-Y378 HydrophobicContact CZ2-CE1 4.25Å; W375-Y378 AromaticContact CZ3-CD1 3.8Å; W375-Y378 HydrophobicContact CZ3-CD1 3.8Å; W375-Y378 HydrophobicContact CZ3-CE1 4.01Å; W375-Y378 HydrophobicContact CZ3-CG 4.35Å; W375-Y378 PolarHBondContact O-N 2.94Å; Y378-L380 PolarHBondContact O-N 3.41Å; Y378-L380 VanDerWaalsContact O-N 3.12Å; Y378-E381 PolarHBondContact O-N 2.94Å; Y378-E381 VanDerWaalsContact O-N 3.17Å; Y378-F388 AromaticContact CD2-CE1 3.94Å; Y378-F388 HydrophobicContact CD2-CE1 3.94Å; Y378-F388 HydrophobicContact CG-CE1 4.34Å; Y378-E602 PolarHBondContact OH-OE1 3.2Å; Y378-L715 HydrophobicContact CE1-CD1 4.18Å; Y378-L715 HydrophobicContact CE2-CD1 3.69Å; Y378-L715 VanDerWaalsContact CZ-CD1 3.42Å; Y378-L715 WeakPolarHBondContact OH-CD1 3.16Å; Y378-L729 HydrophobicContact CD2-CD2 3.68Å; Y378-L729 HydrophobicContact CD2-CG 3.66Å; Y378-L729 HydrophobicContact CE2-CG 4.21Å; Y378-L729 HydrophobicContact CG-CD2 3.76Å; Y378-L729 HydrophobicContact CG-CG 4.26Å; Y378-R731 PolarHBondContact OH-NE 3.25Å; Y378-R731 PolarHBondContact OH-NH2 3.21Å
379A69.5Low68.2Low67 Ų6729.6 Ų29.655%0.55416%0.16SC*.THydrogen-bonded Turntrans-71.6-2.3-176.200000114.7W375W375-A379 VanDerWaalsContact O-CB 3.29Å; W375-A379 WeakPolarHBondContact O-CB 2.9Å; W375-A379 PolarHBondContact O-N 2.91Å
380L68Low68.7Low51 Ų5129.7 Ų29.727%0.26716%0.161SC..THydrogen-bonded Turntrans-97.5-10.3173.6-72.9175.7000113.7K376 L377 Y378 S640 K643 L644K376-L380 WeakPolarHBondContact O-CG 3.37Å; L377-L380 PolarHBondContact O-N 2.76Å; Y378-L380 PolarHBondContact O-N 3.41Å; Y378-L380 VanDerWaalsContact O-N 3.12Å; L380-S640 WeakPolarHBondContact CD1-O 3.3Å; L380-K643 HydrophobicContact CD1-CB 4.04Å; L380-K643 HydrophobicContact CD2-CB 4.24Å; L380-K643 HydrophobicContact CD2-CD 3.96Å; L380-L644 HydrophobicContact CD1-CD1 4.16Å; L380-L644 HydrophobicContact CD1-CD2 3.57Å; L380-L644 HydrophobicContact CD1-CG 3.53Å
381E69.2Low69.4Low30 Ų3030 Ų3014%0.1416%0.163CC..SBendtrans-84.6146-179-63.1-57.3130.700111.6Y378 T386 M635 S640Y378-E381 PolarHBondContact O-N 2.94Å; Y378-E381 VanDerWaalsContact O-N 3.17Å; E381-T386 HydrophobicContact CB-CG2 3.97Å; E381-T386 HydrophobicContact CG-CG2 4.15Å; E381-M635 HydrophobicContact CG-CE 3.46Å; E381-M635 VanDerWaalsContact CG-CE 3.46Å; E381-M635 WeakPolarHBondContact OE1-CE 3.39Å; E381-M635 WeakPolarHBondContact OE2-CE 3.29Å; E381-S640 PolarHBondContact OE1-OG 3.15Å
382P60.4Low71.1Confident60 Ų6029.3 Ų29.339%0.3916%0.158SC..  trans-67.1158.2-174.327.8-36.1000112.7Q384P382-Q384 HydrophobicContact CB-CG 4.17Å; P382-Q384 HydrophobicContact CG-CG 3.95Å; P382-Q384 PolarHBondContact O-N 2.76Å
383E61.1Low72.3Confident136 Ų13628.4 Ų28.464%0.63615%0.154SC*.SBendtrans-71.562.3-175.4-62.7-157.2148.100115.1S599E383-S599 WeakPolarHBondContact OE1-CB 3.4Å; E383-S599 PolarHBondContact OE1-OG 2.76Å
384Q66.8Low73.4Confident81 Ų8128.4 Ų28.438%0.37915%0.154SC..SBendtrans-151.9-178.4-179.251.7177.7-3300109.2P382 T386 T735P382-Q384 HydrophobicContact CB-CG 4.17Å; P382-Q384 HydrophobicContact CG-CG 3.95Å; P382-Q384 PolarHBondContact O-N 2.76Å; Q384-T386 PolarHBondContact O-N 3.4Å; Q384-T386 PolarHBondContact O-OG1 3.4Å; Q384-T386 VanDerWaalsContact O-OG1 3.1Å; Q384-T735 HydrophobicContact CB-CG2 4.35Å
385N69.4Low74.5Confident12 Ų1227.7 Ų27.76%0.06415%0.148CC..  trans-50.6113.1179.1-84.9-40.5000113F631 R633 R731 T733 Q738N385-F631 HydrophobicContact CB-CE1 3.81Å; N385-F631 HydrophobicContact CB-CZ 4.49Å; N385-F631 WeakPolarHBondContact OD1-CZ 3.06Å; N385-R633 VanDerWaalsContact O-CZ 3.24Å; N385-R633 PolarHBondContact O-NE 3.4Å; N385-R731 PolarHBondContact OD1-O 2.98Å; N385-T733 PolarHBondContact ND2-O 3.3Å; N385-T733 PolarHBondContact OD1-N 2.75Å; N385-T733 PolarHBondContact OD1-O 3.49Å; N385-Q738 VanDerWaalsContact ND2-CD 3.26Å; N385-Q738 PolarHBondContact ND2-OE1 3.12Å
386T77.3Confident75.4Confident2 Ų226.8 Ų26.81%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-127.5132.8-177.9-66.70000107.6E381 Q384 F388 G730 R731E381-T386 HydrophobicContact CB-CG2 3.97Å; E381-T386 HydrophobicContact CG-CG2 4.15Å; Q384-T386 PolarHBondContact O-N 3.4Å; Q384-T386 PolarHBondContact O-OG1 3.4Å; Q384-T386 VanDerWaalsContact O-OG1 3.1Å; T386-F388 HydrophobicContact CG2-CD1 4.24Å; T386-G730 CarbonylContact O-C 3.48Å; T386-G730 WeakPolarHBondContact O-CA 3.41Å; T386-R731 PolarHBondContact N-O 3.4Å; T386-R731 PolarHBondContact O-N 3.39Å
387L82.7Confident76.4Confident0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-146131.6168.7177.865.6000107.7F631 R633 T675 I677 F716 F728L387-F631 HydrophobicContact CB-CB 4.4Å; L387-F631 HydrophobicContact CB-CD1 3.85Å; L387-F631 HydrophobicContact CB-CE1 4.35Å; L387-F631 HydrophobicContact CB-CG 4.23Å; L387-F631 HydrophobicContact CD2-CB 3.49Å; L387-F631 VanDerWaalsContact CD2-CB 3.49Å; L387-F631 HydrophobicContact CD2-CD1 4.44Å; L387-F631 HydrophobicContact CD2-CG 4Å; L387-R633 HydrophobicContact CB-CB 4.14Å; L387-T675 WeakPolarHBondContact CG-OG1 3.48Å; L387-T675 PolarHBondContact O-OG1 2.72Å; L387-T675 VanDerWaalsContact O-OG1 3.13Å; L387-I677 HydrophobicContact CD1-CD1 4.27Å; L387-I677 HydrophobicContact CD2-CD1 3.68Å; L387-I677 HydrophobicContact CD2-CG1 3.6Å; L387-I677 HydrophobicContact CD2-CG2 4.48Å; L387-F716 HydrophobicContact CD1-CE2 3.73Å; L387-F716 HydrophobicContact CD1-CZ 3.81Å; L387-F728 HydrophobicContact CD1-CB 4.03Å; L387-F728 HydrophobicContact CD1-CD1 3.77Å; L387-F728 HydrophobicContact CD1-CG 4.32Å; L387-F728 HydrophobicContact CD2-CD1 4.31Å; L387-F728 HydrophobicContact CD2-CE1 4.49Å; L387-F728 HydrophobicContact CG-CD1 4.12Å
388F83.8Confident77.4Confident0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-149.3167.8170.672.3-85.7000111.3A374 L377 Y378 T386 P390 M635 H673 F728 L729A374-F388 WeakPolarHBondContact O-CZ 3.43Å; L377-F388 HydrophobicContact CB-CE2 4.17Å; L377-F388 HydrophobicContact CB-CZ 4.08Å; L377-F388 HydrophobicContact CD2-CD2 3.97Å; L377-F388 HydrophobicContact CD2-CE2 3.71Å; L377-F388 HydrophobicContact CD2-CZ 4.31Å; L377-F388 HydrophobicContact CG-CE2 4.36Å; L377-F388 HydrophobicContact CG-CZ 4.49Å; Y378-F388 AromaticContact CD2-CE1 3.94Å; Y378-F388 HydrophobicContact CD2-CE1 3.94Å; Y378-F388 HydrophobicContact CG-CE1 4.34Å; T386-F388 HydrophobicContact CG2-CD1 4.24Å; F388-P390 HydrophobicContact CD2-CB 4.36Å; F388-P390 HydrophobicContact CD2-CG 3.95Å; F388-P390 HydrophobicContact CE2-CB 3.81Å; F388-P390 HydrophobicContact CE2-CG 3.48Å; F388-P390 VanDerWaalsContact CE2-CG 3.48Å; F388-P390 HydrophobicContact CZ-CG 4.14Å; F388-P390 WeakPolarHBondContact O-CD 3.5Å; F388-M635 HydrophobicContact CB-CE 4.45Å; F388-M635 HydrophobicContact CB-SD 3.53Å; F388-M635 VanDerWaalsContact CB-SD 3.53Å; F388-M635 HydrophobicContact CG-SD 4.32Å; F388-H673 WeakPolarHBondContact CA-NE2 3.35Å; F388-H673 WeakPolarHBondContact CB-NE2 3.18Å; F388-F728 CarbonylContact O-C 3.58Å; F388-F728 VanDerWaalsContact O-CA 3.28Å; F388-F728 WeakPolarHBondContact O-CA 3.5Å; F388-L729 HydrophobicContact CE1-CB 4.26Å; F388-L729 HydrophobicContact CE1-CD2 4.45Å; F388-L729 HydrophobicContact CZ-CB 4.38Å; F388-L729 HydrophobicContact CZ-CD2 4.31Å; F388-L729 PolarHBondContact N-O 2.75Å; F388-L729 PolarHBondContact O-N 2.88Å
389S86.1Confident78.4Confident0 Ų022.9 Ų22.90%013%0.127CC..  trans-108.798.9172.9179.60000109.5A391 S392 V393 H673 L727S389-A391 PolarHBondContact O-N 3.06Å; S389-S392 PolarHBondContact O-N 2.72Å; S389-S392 VanDerWaalsContact OG-CB 3.29Å; S389-S392 WeakPolarHBondContact OG-CB 3.38Å; S389-S392 PolarHBondContact OG-N 2.64Å; S389-V393 WeakPolarHBondContact O-CG2 3.49Å; S389-V393 PolarHBondContact O-N 3.32Å; S389-H673 PolarHBondContact N-NE2 2.65Å; S389-L727 VanDerWaalsContact CA-O 3.24Å; S389-L727 WeakPolarHBondContact CA-O 3.23Å; S389-L727 WeakPolarHBondContact CB-O 3.46Å; S389-L727 PolarHBondContact OG-O 2.63Å
390P82.3Confident79.5Confident7 Ų719.7 Ų19.75%0.04510%0.101CC..Hα-helixtrans-56.2-41.7-180-17.523000111.9A374 F388 S392 F394 L726 L729A374-P390 HydrophobicContact CB-CB 3.63Å; A374-P390 HydrophobicContact CB-CG 3.92Å; F388-P390 HydrophobicContact CD2-CB 4.36Å; F388-P390 HydrophobicContact CD2-CG 3.95Å; F388-P390 HydrophobicContact CE2-CB 3.81Å; F388-P390 HydrophobicContact CE2-CG 3.48Å; F388-P390 VanDerWaalsContact CE2-CG 3.48Å; F388-P390 HydrophobicContact CZ-CG 4.14Å; F388-P390 WeakPolarHBondContact O-CD 3.5Å; P390-S392 PolarHBondContact O-N 2.74Å; P390-F394 VanDerWaalsContact O-CB 3.23Å; P390-F394 WeakPolarHBondContact O-CB 3.41Å; P390-F394 PolarHBondContact O-N 3.33Å; P390-L726 WeakPolarHBondContact CD-O 3.45Å; P390-L726 HydrophobicContact CG-CD2 3.89Å; P390-L729 HydrophobicContact CG-CB 4.15Å
391A78.6Confident80.6Confident7 Ų717.2 Ų17.26%0.0589%0.088CC..Hα-helixtrans-59.7-42175.300000112.7S389 L395 L433 L437 L727S389-A391 PolarHBondContact O-N 3.06Å; A391-L395 WeakPolarHBondContact O-CG 3.27Å; A391-L395 PolarHBondContact O-N 3.49Å; A391-L433 HydrophobicContact CB-CD1 3.94Å; A391-L433 HydrophobicContact CB-CD2 4.38Å; A391-L433 HydrophobicContact CB-CG 4.42Å; A391-L437 HydrophobicContact CB-CD1 4.22Å; A391-L727 HydrophobicContact CB-CD2 4.18Å
392S84.1Confident81.6Confident0 Ų015.8 Ų15.80%08%0.081CC..Hα-helixtrans-71.7-43.5-179.7-156.30000112.5S389 P390 F394 L395 A396 L451 N523 V525S389-S392 PolarHBondContact O-N 2.72Å; S389-S392 VanDerWaalsContact OG-CB 3.29Å; S389-S392 WeakPolarHBondContact OG-CB 3.38Å; S389-S392 PolarHBondContact OG-N 2.64Å; P390-S392 PolarHBondContact O-N 2.74Å; S392-F394 VanDerWaalsContact C-N 3.3Å; S392-F394 PolarHBondContact O-N 2.88Å; S392-L395 WeakPolarHBondContact O-CB 3.3Å; S392-L395 PolarHBondContact O-N 3.31Å; S392-A396 PolarHBondContact O-N 2.99Å; S392-L451 WeakPolarHBondContact OG-CD1 3.5Å; S392-N523 PolarHBondContact O-ND2 3.36Å; S392-N523 VanDerWaalsContact O-ND2 3.08Å; S392-N523 PolarHBondContact O-OD1 3.1Å; S392-N523 PolarHBondContact OG-ND2 2.97Å; S392-N523 PolarHBondContact OG-OD1 3.44Å; S392-V525 VanDerWaalsContact OG-CG2 3.24Å; S392-V525 WeakPolarHBondContact OG-CG2 3.42Å
393V85.7Confident83.1Confident1 Ų113 Ų131%0.0066%0.063CC..Hα-helixtrans-61.1-41.6175177.70000110.6F373 L377 S389 L395 A396 L397 N523 L637 H673F373-V393 HydrophobicContact CE1-CG1 4.46Å; F373-V393 HydrophobicContact CZ-CG1 3.94Å; L377-V393 HydrophobicContact CD2-CB 4.45Å; L377-V393 HydrophobicContact CD2-CG1 3.99Å; L377-V393 HydrophobicContact CD2-CG2 4.4Å; S389-V393 WeakPolarHBondContact O-CG2 3.49Å; S389-V393 PolarHBondContact O-N 3.32Å; V393-L395 VanDerWaalsContact C-N 3.34Å; V393-L395 PolarHBondContact O-N 2.84Å; V393-A396 PolarHBondContact O-N 2.57Å; V393-A396 VanDerWaalsContact O-N 3.11Å; V393-L397 HydrophobicContact CG1-CD1 3.87Å; V393-L397 HydrophobicContact CG1-CG 4.18Å; V393-L397 WeakPolarHBondContact O-CG 3.49Å; V393-L397 PolarHBondContact O-N 2.71Å; V393-N523 PolarHBondContact N-OD1 3.13Å; V393-L637 HydrophobicContact CB-CD1 4.31Å; V393-L637 HydrophobicContact CG1-CD1 3.51Å; V393-L637 HydrophobicContact CG2-CD1 3.73Å; V393-H673 HydrophobicContact CG2-CB 4.17Å
394F82.1Confident84.7Confident22 Ų226.5 Ų6.510%0.0963%0.032CC..Hα-helixtrans-57.1-44.7175.2-178.4-82.1000112F373 P390 S392 S398 L416 F417 L430 L433F373-F394 HydrophobicContact CD1-CB 4.46Å; F373-F394 HydrophobicContact CD1-CD2 4.17Å; F373-F394 HydrophobicContact CE1-CB 4.1Å; P390-F394 VanDerWaalsContact O-CB 3.23Å; P390-F394 WeakPolarHBondContact O-CB 3.41Å; P390-F394 PolarHBondContact O-N 3.33Å; S392-F394 VanDerWaalsContact C-N 3.3Å; S392-F394 PolarHBondContact O-N 2.88Å; F394-S398 VanDerWaalsContact O-CB 3.31Å; F394-S398 WeakPolarHBondContact O-CB 3.24Å; F394-S398 PolarHBondContact O-N 2.96Å; F394-S398 PolarHBondContact O-OG 3.49Å; F394-L416 HydrophobicContact CB-CD2 4.26Å; F394-L416 HydrophobicContact CD2-CD2 3.49Å; F394-L416 VanDerWaalsContact CD2-CD2 3.49Å; F394-L416 HydrophobicContact CE2-CB 4.41Å; F394-L416 HydrophobicContact CE2-CD2 4.02Å; F394-L416 HydrophobicContact CG-CD2 3.95Å; F394-F417 HydrophobicContact CE2-CD1 4.27Å; F394-F417 AromaticContact CE2-CE1 3.9Å; F394-F417 HydrophobicContact CE2-CE1 3.9Å; F394-F417 HydrophobicContact CE2-CZ 4.36Å; F394-F417 HydrophobicContact CZ-CD1 4.23Å; F394-F417 AromaticContact CZ-CE1 3.48Å; F394-F417 HydrophobicContact CZ-CE1 3.48Å; F394-F417 VanDerWaalsContact CZ-CE1 3.48Å; F394-F417 AromaticContact CZ-CZ 3.95Å; F394-F417 HydrophobicContact CZ-CZ 3.95Å; F394-L430 HydrophobicContact CD1-CD2 4.21Å; F394-L430 HydrophobicContact CE1-CD2 3.83Å; F394-L433 HydrophobicContact CB-CD2 4.47Å; F394-L433 HydrophobicContact CD1-CD2 3.51Å; F394-L433 HydrophobicContact CE1-CD2 4.03Å; F394-L433 HydrophobicContact CG-CD2 4.25Å
395L82.3Confident85.9Confident4 Ų46 Ų62%0.0213%0.03CC..Hα-helixtrans-62.6-41.7173.7-67.2-178.4000112.1A391 S392 V393 S398 M399 L430 L433 I434 L437 L451 N453 L475A391-L395 WeakPolarHBondContact O-CG 3.27Å; A391-L395 PolarHBondContact O-N 3.49Å; S392-L395 WeakPolarHBondContact O-CB 3.3Å; S392-L395 PolarHBondContact O-N 3.31Å; V393-L395 VanDerWaalsContact C-N 3.34Å; V393-L395 PolarHBondContact O-N 2.84Å; L395-S398 WeakPolarHBondContact O-CB 3.12Å; L395-S398 PolarHBondContact O-N 2.8Å; L395-M399 WeakPolarHBondContact O-CG 3.15Å; L395-M399 PolarHBondContact O-N 2.88Å; L395-M399 VanDerWaalsContact O-N 3.15Å; L395-L430 HydrophobicContact CD2-CD2 3.54Å; L395-L433 HydrophobicContact CD2-CD2 3.93Å; L395-L433 HydrophobicContact CD2-CG 4.45Å; L395-L433 HydrophobicContact CG-CD2 4.13Å; L395-I434 HydrophobicContact CD1-CG1 4.3Å; L395-I434 HydrophobicContact CD2-CD1 4.36Å; L395-I434 HydrophobicContact CD2-CG1 3.84Å; L395-L437 HydrophobicContact CD1-CD1 3.58Å; L395-L437 HydrophobicContact CG-CD1 4.42Å; L395-L451 HydrophobicContact CD1-CD1 4.22Å; L395-L451 HydrophobicContact CD1-CD2 3.88Å; L395-N453 VanDerWaalsContact CB-ND2 3.31Å; L395-N453 WeakPolarHBondContact CB-ND2 3.43Å; L395-L475 HydrophobicContact CB-CD2 4.4Å; L395-L475 HydrophobicContact CD2-CD2 3.88Å
396A89.2Confident86.9Confident0 Ų07 Ų70%04%0.044CC..Hα-helixtrans-66.4-42.8-178.100000113S392 V393 S398 M399 V521 N523S392-A396 PolarHBondContact O-N 2.99Å; V393-A396 PolarHBondContact O-N 2.57Å; V393-A396 VanDerWaalsContact O-N 3.11Å; A396-S398 VanDerWaalsContact C-N 3.31Å; A396-M399 HydrophobicContact CB-CE 4.16Å; A396-M399 VanDerWaalsContact O-CB 3.27Å; A396-M399 WeakPolarHBondContact O-CB 3.36Å; A396-M399 PolarHBondContact O-N 2.77Å; A396-V521 HydrophobicContact CB-CG1 4.04Å; A396-N523 HydrophobicContact CB-CB 3.68Å
397L88.7Confident87.6Confident0 Ų011.4 Ų11.40%07%0.067CC..Hα-helixtrans-70.1-29.8173.8-63.5177.5000112.2F373 V393 M399 L400 Y401 L416 L641 M646 V671F373-L397 HydrophobicContact CE2-CD1 4.19Å; F373-L397 HydrophobicContact CZ-CD1 3.92Å; V393-L397 HydrophobicContact CG1-CD1 3.87Å; V393-L397 HydrophobicContact CG1-CG 4.18Å; V393-L397 WeakPolarHBondContact O-CG 3.49Å; V393-L397 PolarHBondContact O-N 2.71Å; L397-M399 PolarHBondContact O-N 2.85Å; L397-L400 HydrophobicContact CD2-CD1 4.14Å; L397-L400 WeakPolarHBondContact O-CB 3.24Å; L397-L400 PolarHBondContact O-N 3.12Å; L397-L400 VanDerWaalsContact O-N 3.13Å; L397-Y401 PolarHBondContact O-N 3.38Å; L397-L416 HydrophobicContact CB-CD1 3.92Å; L397-L416 HydrophobicContact CB-CD2 3.9Å; L397-L416 HydrophobicContact CB-CG 4.13Å; L397-L416 HydrophobicContact CD1-CD2 4.04Å; L397-L641 HydrophobicContact CD1-CD1 4.36Å; L397-L641 HydrophobicContact CD1-CD2 3.6Å; L397-L641 HydrophobicContact CD2-CD1 3.78Å; L397-L641 HydrophobicContact CD2-CD2 4.4Å; L397-M646 HydrophobicContact CD2-CE 3.77Å; L397-M646 HydrophobicContact CD2-SD 4.38Å; L397-V671 HydrophobicContact CD2-CG1 4.41Å
398S87.8Confident88.1Confident0 Ų011.4 Ų11.40%07%0.067CC..Hα-helixtrans-63.3-31.9171.5-63.10000112F394 L395 A396 L400 Y401 V402F394-S398 VanDerWaalsContact O-CB 3.31Å; F394-S398 WeakPolarHBondContact O-CB 3.24Å; F394-S398 PolarHBondContact O-N 2.96Å; F394-S398 PolarHBondContact O-OG 3.49Å; L395-S398 WeakPolarHBondContact O-CB 3.12Å; L395-S398 PolarHBondContact O-N 2.8Å; A396-S398 VanDerWaalsContact C-N 3.31Å; S398-L400 PolarHBondContact O-N 3.48Å; S398-Y401 PolarHBondContact O-N 3.46Å; S398-V402 WeakPolarHBondContact O-CG2 3.37Å; S398-V402 PolarHBondContact O-N 2.75Å; S398-V402 VanDerWaalsContact O-N 3.1Å
399M91.5Very high88.5Confident0 Ų012.1 Ų12.10%07%0.07CC..Hα-helixtrans-58.9-45.8170.7-53.7-166.5-75.700111.5L395 A396 L397 G403 N453 L455 Y467 L471 L475 A477 V521L395-M399 WeakPolarHBondContact O-CG 3.15Å; L395-M399 PolarHBondContact O-N 2.88Å; L395-M399 VanDerWaalsContact O-N 3.15Å; A396-M399 HydrophobicContact CB-CE 4.16Å; A396-M399 VanDerWaalsContact O-CB 3.27Å; A396-M399 WeakPolarHBondContact O-CB 3.36Å; A396-M399 PolarHBondContact O-N 2.77Å; L397-M399 PolarHBondContact O-N 2.85Å; M399-G403 PolarHBondContact O-N 3.48Å; M399-N453 HydrophobicContact CE-CB 4.25Å; M399-N453 HydrophobicContact SD-CB 4.23Å; M399-L455 HydrophobicContact CB-CD1 3.59Å; M399-L455 HydrophobicContact CB-CG 4.3Å; M399-L455 HydrophobicContact CE-CD1 4.5Å; M399-L455 HydrophobicContact CE-CG 4Å; M399-L455 HydrophobicContact CG-CD1 4.49Å; M399-L455 HydrophobicContact SD-CD1 4.22Å; M399-L455 HydrophobicContact SD-CG 4.23Å; M399-Y467 PolarHBondContact O-OH 3.21Å; M399-L471 HydrophobicContact CB-CD2 3.94Å; M399-L471 HydrophobicContact CG-CD2 3.73Å; M399-L471 HydrophobicContact SD-CD2 3.97Å; M399-L475 HydrophobicContact CB-CD1 4.36Å; M399-L475 HydrophobicContact CG-CD1 3.98Å; M399-A477 HydrophobicContact CG-CB 4.4Å; M399-A477 HydrophobicContact SD-CB 3.62Å; M399-V521 HydrophobicContact CE-CG1 3.65Å
400L93.3Very high88.3Confident0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-63.5-45.4176.3-66.3178.8000111.8L397 S398 V402 G403 A404 I412 L455 L519 V521 M646 V668 V671L397-L400 HydrophobicContact CD2-CD1 4.14Å; L397-L400 WeakPolarHBondContact O-CB 3.24Å; L397-L400 PolarHBondContact O-N 3.12Å; L397-L400 VanDerWaalsContact O-N 3.13Å; S398-L400 PolarHBondContact O-N 3.48Å; L400-V402 VanDerWaalsContact C-N 3.33Å; L400-V402 PolarHBondContact O-N 2.74Å; L400-G403 CarbonylContact O-C 3.45Å; L400-G403 WeakPolarHBondContact O-CA 3.38Å; L400-G403 PolarHBondContact O-N 2.94Å; L400-A404 WeakPolarHBondContact O-CB 3.32Å; L400-A404 PolarHBondContact O-N 3.47Å; L400-I412 HydrophobicContact CB-CD1 4.03Å; L400-L455 HydrophobicContact CD2-CD2 3.91Å; L400-L519 HydrophobicContact CD2-CD2 4.23Å; L400-V521 HydrophobicContact CD1-CG2 3.96Å; L400-V521 HydrophobicContact CD2-CG2 3.74Å; L400-V521 HydrophobicContact CG-CG2 3.97Å; L400-M646 HydrophobicContact CD1-CE 4.44Å; L400-V668 HydrophobicContact CD1-CG2 3.84Å; L400-V668 HydrophobicContact CD2-CG2 3.45Å; L400-V668 VanDerWaalsContact CD2-CG2 3.45Å; L400-V668 HydrophobicContact CG-CG2 4.3Å; L400-V671 HydrophobicContact CD1-CG2 4.47Å
401Y90.9Very high88.5Confident0 Ų015.5 Ų15.50%09%0.086CC..Hα-helixtrans-59.3-39.4-179.1167.1-91.9000113L397 S398 G403 A404 K409 I421 N422 I426L397-Y401 PolarHBondContact O-N 3.38Å; S398-Y401 PolarHBondContact O-N 3.46Å; Y401-G403 PolarHBondContact O-N 2.68Å; Y401-A404 PolarHBondContact O-N 3.38Å; Y401-K409 HydrophobicContact CD2-CG 3.75Å; Y401-K409 HydrophobicContact CE2-CD 4.32Å; Y401-K409 HydrophobicContact CE2-CG 3.68Å; Y401-I421 PolarHBondContact OH-O 2.88Å; Y401-N422 WeakPolarHBondContact OH-CA 3.19Å; Y401-N422 PolarHBondContact OH-N 2.91Å; Y401-N422 PolarHBondContact OH-O 2.79Å; Y401-I426 HydrophobicContact CD1-CD1 3.44Å; Y401-I426 VanDerWaalsContact CD1-CD1 3.44Å; Y401-I426 HydrophobicContact CD1-CG1 4.44Å; Y401-I426 HydrophobicContact CE1-CD1 3.33Å; Y401-I426 HydrophobicContact CE1-CG1 3.86Å; Y401-I426 HydrophobicContact CE1-CG2 3.98Å
402V90Very high88.9Confident0 Ų015.2 Ų15.20%08%0.083CC..Hα-helixtrans-64.3-31.9174.3175.40000111.2S398 L400 T423 I426 Y467 E470 L474 L475 R659S398-V402 WeakPolarHBondContact O-CG2 3.37Å; S398-V402 PolarHBondContact O-N 2.75Å; S398-V402 VanDerWaalsContact O-N 3.1Å; L400-V402 VanDerWaalsContact C-N 3.33Å; L400-V402 PolarHBondContact O-N 2.74Å; V402-T423 HydrophobicContact CG1-CG2 4.29Å; V402-T423 HydrophobicContact CG2-CG2 4.08Å; V402-I426 HydrophobicContact CG2-CD1 3.89Å; V402-Y467 HydrophobicContact CB-CE2 4.05Å; V402-Y467 HydrophobicContact CG1-CD2 3.95Å; V402-Y467 HydrophobicContact CG1-CE2 3.87Å; V402-E470 HydrophobicContact CG1-CB 4.37Å; V402-E470 HydrophobicContact CG1-CG 3.96Å; V402-L474 HydrophobicContact CG1-CD1 4.18Å; V402-L474 HydrophobicContact CG2-CD1 3.91Å; V402-L475 HydrophobicContact CG2-CD1 4.37Å; V402-R659 PolarHBondContact O-NH1 2.85Å
403G92.5Very high88.6Confident0 Ų015.2 Ų15.20%08%0.083CC..Hα-helixtrans-85-18.4179.800000115.2M399 L400 Y401 Y467 L657 R659M399-G403 PolarHBondContact O-N 3.48Å; L400-G403 CarbonylContact O-C 3.45Å; L400-G403 WeakPolarHBondContact O-CA 3.38Å; L400-G403 PolarHBondContact O-N 2.94Å; Y401-G403 PolarHBondContact O-N 2.68Å; G403-Y467 VanDerWaalsContact N-CE2 3.28Å; G403-L657 CarbonylContact O-C 3.44Å; G403-R659 WeakPolarHBondContact O-CB 3.45Å; G403-R659 PolarHBondContact O-N 3.06Å
404A93.5Very high88Confident0 Ų017.3 Ų17.30%09%0.094CC..  trans-89.5157.6-173.200000113.6L400 Y401 T408 K409 I412 N656 L657L400-A404 WeakPolarHBondContact O-CB 3.32Å; L400-A404 PolarHBondContact O-N 3.47Å; Y401-A404 PolarHBondContact O-N 3.38Å; A404-T408 HydrophobicContact CB-CG2 4.28Å; A404-K409 HydrophobicContact CB-CB 3.9Å; A404-K409 HydrophobicContact CB-CG 4.34Å; A404-K409 WeakPolarHBondContact O-CD 3.08Å; A404-K409 PolarHBondContact O-NZ 2.78Å; A404-I412 HydrophobicContact CB-CD1 3.65Å; A404-N656 CarbonylContact C-O 3.52Å; A404-N656 WeakPolarHBondContact CA-O 3.42Å; A404-L657 HydrophobicContact CB-CD2 3.92Å
405E92.9Very high87.6Confident71 Ų7116.9 Ų16.933%0.3329%0.093SC..  trans-136.1168.3168.5-93.1-52.4141.300113.5T408 K409 N656 R659E405-T408 PolarHBondContact O-N 3.23Å; E405-K409 PolarHBondContact O-N 3.23Å; E405-K409 IonicContact OE1-NZ 2.74Å; E405-K409 PolarHBondContact OE1-NZ 2.95Å; E405-N656 WeakPolarHBondContact CB-ND2 3.27Å; E405-N656 PolarHBondContact N-O 2.7Å; E405-N656 PolarHBondContact O-ND2 2.72Å; E405-R659 HydrophobicContact CG-CG 4.17Å
406G90.8Very high87Confident34 Ų3416.9 Ų16.935%0.3519%0.093SC..Hα-helixtrans55.7-136.5174.600000114.6T408 K409 Q410G406-T408 VanDerWaalsContact C-N 3.31Å; G406-T408 PolarHBondContact O-N 2.99Å; G406-K409 PolarHBondContact O-N 2.9Å; G406-Q410 PolarHBondContact O-N 3.43Å
407N90.8Very high85.9Confident93 Ų9317.1 Ų17.150%0.4979%0.094SC..Hα-helixtrans-65.7-32.4-175.5-157.252.2000112.9Q410 Q411 D648N407-Q410 WeakPolarHBondContact O-CB 3.43Å; N407-Q410 PolarHBondContact O-N 2.67Å; N407-Q411 PolarHBondContact ND2-NE2 3.35Å; N407-Q411 WeakPolarHBondContact O-CB 3.46Å; N407-Q411 WeakPolarHBondContact O-CG 3.49Å; N407-Q411 PolarHBondContact O-N 3.2Å; N407-D648 PolarHBondContact ND2-OD2 3.23Å
408T93Very high84.5Confident1 Ų118.2 Ų18.21%0.00611%0.105CC..Hα-helixtrans-61.5-47.2173.8-47.30000110.9A404 E405 G406 Q411 I412 V649 K654 N656 L657A404-T408 HydrophobicContact CB-CG2 4.28Å; E405-T408 PolarHBondContact O-N 3.23Å; G406-T408 VanDerWaalsContact C-N 3.31Å; G406-T408 PolarHBondContact O-N 2.99Å; T408-Q411 PolarHBondContact O-N 3.38Å; T408-I412 HydrophobicContact CG2-CD1 4.15Å; T408-I412 WeakPolarHBondContact O-CD1 3.09Å; T408-I412 VanDerWaalsContact O-CG1 3.28Å; T408-I412 WeakPolarHBondContact O-CG1 3.33Å; T408-I412 PolarHBondContact O-N 3.48Å; T408-V649 HydrophobicContact CG2-CB 3.62Å; T408-V649 HydrophobicContact CG2-CG2 3.6Å; T408-K654 PolarHBondContact OG1-O 2.79Å; T408-N656 PolarHBondContact OG1-N 3.08Å; T408-L657 HydrophobicContact CG2-CD2 4.5Å
409K91.7Very high82.9Confident15 Ų1518.5 Ų18.57%0.06511%0.106CC..Hα-helixtrans-63.3-44.5175.3-166.1-177.4-157.7143.90111.9Y401 A404 E405 G406 Q411 I412 S413Y401-K409 HydrophobicContact CD2-CG 3.75Å; Y401-K409 HydrophobicContact CE2-CD 4.32Å; Y401-K409 HydrophobicContact CE2-CG 3.68Å; A404-K409 HydrophobicContact CB-CB 3.9Å; A404-K409 HydrophobicContact CB-CG 4.34Å; A404-K409 WeakPolarHBondContact O-CD 3.08Å; A404-K409 PolarHBondContact O-NZ 2.78Å; E405-K409 PolarHBondContact O-N 3.23Å; E405-K409 IonicContact OE1-NZ 2.74Å; E405-K409 PolarHBondContact OE1-NZ 2.95Å; G406-K409 PolarHBondContact O-N 2.9Å; K409-Q411 VanDerWaalsContact C-N 3.31Å; K409-Q411 PolarHBondContact O-N 2.96Å; K409-I412 PolarHBondContact O-N 2.9Å; K409-S413 WeakPolarHBondContact O-CB 3.26Å; K409-S413 PolarHBondContact O-N 2.82Å
410Q83Confident81.5Confident52 Ų5222.3 Ų22.324%0.24312%0.124CC..Hα-helixtrans-53.4-47.1174.7173.976.673.600111.5G406 N407 N414G406-Q410 PolarHBondContact O-N 3.43Å; N407-Q410 WeakPolarHBondContact O-CB 3.43Å; N407-Q410 PolarHBondContact O-N 2.67Å; Q410-N414 PolarHBondContact NE2-OD1 3.12Å; Q410-N414 WeakPolarHBondContact O-CB 3.34Å; Q410-N414 PolarHBondContact O-N 3.4Å; Q410-N414 PolarHBondContact O-OD1 3.25Å; Q410-N414 VanDerWaalsContact O-OD1 3.07Å
411Q86.1Confident79.9Confident26 Ų2623 Ų2312%0.12113%0.128CC..Hα-helixtrans-68.1-47.3-179.7-76.1-178.38.300113.4N407 T408 K409 S413 N414 V415 G645 D648N407-Q411 PolarHBondContact ND2-NE2 3.35Å; N407-Q411 WeakPolarHBondContact O-CB 3.46Å; N407-Q411 WeakPolarHBondContact O-CG 3.49Å; N407-Q411 PolarHBondContact O-N 3.2Å; T408-Q411 PolarHBondContact O-N 3.38Å; K409-Q411 VanDerWaalsContact C-N 3.31Å; K409-Q411 PolarHBondContact O-N 2.96Å; Q411-S413 PolarHBondContact O-N 3.45Å; Q411-N414 PolarHBondContact O-N 3.17Å; Q411-N414 VanDerWaalsContact O-N 3.15Å; Q411-V415 PolarHBondContact O-N 2.87Å; Q411-G645 VanDerWaalsContact CD-O 3.32Å; Q411-G645 WeakPolarHBondContact CG-O 3.35Å; Q411-G645 PolarHBondContact OE1-O 3.21Å; Q411-D648 PolarHBondContact NE2-OD1 2.89Å; Q411-D648 PolarHBondContact NE2-OD2 3.46Å; Q411-D648 VanDerWaalsContact OE1-CB 3.32Å
412I87Confident78.8Confident0 Ų026.5 Ų26.50%015%0.147CC..Hα-helixtrans-58.6-42.1177-57.8156.6000109.8L400 A404 T408 K409 V415 L416 M646 V649L400-I412 HydrophobicContact CB-CD1 4.03Å; A404-I412 HydrophobicContact CB-CD1 3.65Å; T408-I412 HydrophobicContact CG2-CD1 4.15Å; T408-I412 WeakPolarHBondContact O-CD1 3.09Å; T408-I412 VanDerWaalsContact O-CG1 3.28Å; T408-I412 WeakPolarHBondContact O-CG1 3.33Å; T408-I412 PolarHBondContact O-N 3.48Å; K409-I412 PolarHBondContact O-N 2.9Å; I412-V415 PolarHBondContact O-N 2.95Å; I412-L416 HydrophobicContact CG2-CD1 3.95Å; I412-L416 PolarHBondContact O-N 2.86Å; I412-M646 HydrophobicContact CB-CG 4.35Å; I412-M646 HydrophobicContact CB-SD 3.95Å; I412-M646 HydrophobicContact CG1-CG 3.8Å; I412-M646 HydrophobicContact CG1-SD 3.66Å; I412-M646 HydrophobicContact CG2-SD 3.94Å; I412-V649 HydrophobicContact CD1-CG2 4.15Å
413S78.4Confident77.7Confident0 Ų027.8 Ų27.80%016%0.155CC..Hα-helixtrans-65.8-41.3177.4-158.40000112.3K409 Q411 V415 L416 F417 K419 Q420 I421K409-S413 WeakPolarHBondContact O-CB 3.26Å; K409-S413 PolarHBondContact O-N 2.82Å; Q411-S413 PolarHBondContact O-N 3.45Å; S413-V415 VanDerWaalsContact C-N 3.28Å; S413-V415 PolarHBondContact O-N 3.45Å; S413-L416 PolarHBondContact O-N 3.24Å; S413-F417 WeakPolarHBondContact O-CD2 3.26Å; S413-F417 PolarHBondContact O-N 2.85Å; S413-K419 CarbonylContact C-O 3.55Å; S413-K419 VanDerWaalsContact CB-O 3.26Å; S413-K419 WeakPolarHBondContact CB-O 3.18Å; S413-K419 PolarHBondContact OG-O 3.41Å; S413-Q420 WeakPolarHBondContact OG-CA 3.48Å; S413-I421 PolarHBondContact OG-N 3.07Å
414N72.1Confident76.6Confident46 Ų4631.1 Ų31.125%0.24618%0.182CC..Hα-helixtrans-60.8-36.5175.2-71.9-2.6000112.3Q410 Q411 G418 K419 Q420Q410-N414 PolarHBondContact NE2-OD1 3.12Å; Q410-N414 WeakPolarHBondContact O-CB 3.34Å; Q410-N414 PolarHBondContact O-N 3.4Å; Q410-N414 PolarHBondContact O-OD1 3.25Å; Q410-N414 VanDerWaalsContact O-OD1 3.07Å; Q411-N414 PolarHBondContact O-N 3.17Å; Q411-N414 VanDerWaalsContact O-N 3.15Å; N414-G418 WeakPolarHBondContact O-CA 3.26Å; N414-G418 PolarHBondContact O-N 3.16Å; N414-K419 VanDerWaalsContact OD1-C 3.22Å; N414-K419 WeakPolarHBondContact OD1-CA 3.02Å; N414-Q420 PolarHBondContact OD1-N 2.7Å
415V73.6Confident75.1Confident13 Ų1332.8 Ų32.88%0.07919%0.19CC..Hα-helixtrans-73.6-46.4177171.20000112.1F373 Q411 I412 S413 L641 L644 M646F373-V415 HydrophobicContact CD2-CG1 4.18Å; F373-V415 WeakPolarHBondContact CD2-O 3.38Å; F373-V415 HydrophobicContact CE2-CG1 3.93Å; Q411-V415 PolarHBondContact O-N 2.87Å; I412-V415 PolarHBondContact O-N 2.95Å; S413-V415 VanDerWaalsContact C-N 3.28Å; S413-V415 PolarHBondContact O-N 3.45Å; V415-L641 HydrophobicContact CG1-CD2 3.98Å; V415-L644 HydrophobicContact CB-CB 4.46Å; V415-L644 HydrophobicContact CG1-CB 3.97Å; V415-L644 HydrophobicContact CG1-CD1 3.87Å; V415-L644 HydrophobicContact CG2-CB 3.68Å; V415-L644 VanDerWaalsContact CG2-O 3.31Å; V415-L644 WeakPolarHBondContact CG2-O 3.21Å; V415-M646 HydrophobicContact CG2-CB 3.9Å
416L71Confident74.1Confident4 Ų429.5 Ų29.52%0.02117%0.174CC..Hα-helixtrans-70.1-38.5-177.8-78.4172.2000114F373 F394 L397 I412 S413F373-L416 HydrophobicContact CE1-CD2 4.44Å; F373-L416 HydrophobicContact CE2-CD2 4.46Å; F373-L416 HydrophobicContact CZ-CD2 4.33Å; F394-L416 HydrophobicContact CB-CD2 4.26Å; F394-L416 HydrophobicContact CD2-CD2 3.49Å; F394-L416 VanDerWaalsContact CD2-CD2 3.49Å; F394-L416 HydrophobicContact CE2-CB 4.41Å; F394-L416 HydrophobicContact CE2-CD2 4.02Å; F394-L416 HydrophobicContact CG-CD2 3.95Å; L397-L416 HydrophobicContact CB-CD1 3.92Å; L397-L416 HydrophobicContact CB-CD2 3.9Å; L397-L416 HydrophobicContact CB-CG 4.13Å; L397-L416 HydrophobicContact CD1-CD2 4.04Å; I412-L416 HydrophobicContact CG2-CD1 3.95Å; I412-L416 PolarHBondContact O-N 2.86Å; S413-L416 PolarHBondContact O-N 3.24Å
417F65.4Low73Confident5 Ų530.4 Ų30.42%0.02217%0.169CC..Hα-helixtrans-130.3-0.5-166.8-46.4-89.1000114.3F394 S413 K419 I421 I426F394-F417 HydrophobicContact CE2-CD1 4.27Å; F394-F417 AromaticContact CE2-CE1 3.9Å; F394-F417 HydrophobicContact CE2-CE1 3.9Å; F394-F417 HydrophobicContact CE2-CZ 4.36Å; F394-F417 HydrophobicContact CZ-CD1 4.23Å; F394-F417 AromaticContact CZ-CE1 3.48Å; F394-F417 HydrophobicContact CZ-CE1 3.48Å; F394-F417 VanDerWaalsContact CZ-CE1 3.48Å; F394-F417 AromaticContact CZ-CZ 3.95Å; F394-F417 HydrophobicContact CZ-CZ 3.95Å; S413-F417 WeakPolarHBondContact O-CD2 3.26Å; S413-F417 PolarHBondContact O-N 2.85Å; F417-K419 VanDerWaalsContact C-N 3.27Å; F417-K419 PolarHBondContact O-N 3Å; F417-I421 HydrophobicContact CB-CD1 3.44Å; F417-I421 VanDerWaalsContact CB-CD1 3.44Å; F417-I421 HydrophobicContact CB-CG1 4.13Å; F417-I421 HydrophobicContact CD1-CD1 3.52Å; F417-I421 HydrophobicContact CD2-CD1 3.72Å; F417-I421 HydrophobicContact CD2-CG1 4.07Å; F417-I421 HydrophobicContact CE1-CD1 4.11Å; F417-I421 HydrophobicContact CE2-CD1 4.33Å; F417-I421 HydrophobicContact CG-CD1 3.3Å; F417-I421 HydrophobicContact CG-CG1 4.09Å; F417-I426 HydrophobicContact CE1-CG2 3.99Å; F417-I426 HydrophobicContact CE2-CG2 4.01Å; F417-I426 HydrophobicContact CZ-CB 4.4Å; F417-I426 HydrophobicContact CZ-CG2 3.44Å; F417-I426 VanDerWaalsContact CZ-CG2 3.44Å
418G58.3Low71.8Confident22 Ų2230.3 Ų30.323%0.22717%0.173CC..SBendtrans77.91.8-174.700000115.2N414N414-G418 WeakPolarHBondContact O-CA 3.26Å; N414-G418 PolarHBondContact O-N 3.16Å
419K55.5Low70.3Confident6 Ų631.2 Ų31.23%0.02618%0.178CC..SBendtrans-169.1173.7178.359.4-174.1140.9170.70113.4I192 P193 K265 S413 N414 F417I192-K419 VanDerWaalsContact CB-CE 3.44Å; P193-K419 HydrophobicContact CB-CD 4.25Å; P193-K419 VanDerWaalsContact CD-CE 3.43Å; P193-K419 HydrophobicContact CG-CD 3.79Å; P193-K419 HydrophobicContact CG-CG 4.18Å; P193-K419 PolarHBondContact O-NZ 3.31Å; K265-K419 HydrophobicContact CB-CD 4.02Å; K265-K419 HydrophobicContact CG-CD 4.34Å; K265-K419 WeakPolarHBondContact O-CD 3.33Å; K265-K419 WeakPolarHBondContact O-CE 3.16Å; K265-K419 PolarHBondContact O-NZ 2.82Å; S413-K419 CarbonylContact C-O 3.55Å; S413-K419 VanDerWaalsContact CB-O 3.26Å; S413-K419 WeakPolarHBondContact CB-O 3.18Å; S413-K419 PolarHBondContact OG-O 3.41Å; N414-K419 VanDerWaalsContact OD1-C 3.22Å; N414-K419 WeakPolarHBondContact OD1-CA 3.02Å; F417-K419 VanDerWaalsContact C-N 3.27Å; F417-K419 PolarHBondContact O-N 3Å
420Q60.9Low69.2Low80 Ų8030.5 Ų30.537%0.37418%0.175SC..  trans-61.7137.5166.5-140.8177.123.700112.1P193 S413 N414P193-Q420 WeakPolarHBondContact CG-O 3.24Å; S413-Q420 WeakPolarHBondContact OG-CA 3.48Å; N414-Q420 PolarHBondContact OD1-N 2.7Å
421I61.2Low68.6Low14 Ų1431.7 Ų31.77%0.07218%0.181CC..  trans-127.7175.1172.1-53.6-158.5000108.1D179 L191 P193 Y401 S413 F417 E425 I426D179-I421 WeakPolarHBondContact OD2-CG2 3.11Å; L191-I421 VanDerWaalsContact O-CD1 3.29Å; L191-I421 WeakPolarHBondContact O-CD1 3.39Å; P193-I421 HydrophobicContact CG-CG1 3.99Å; Y401-I421 PolarHBondContact OH-O 2.88Å; S413-I421 PolarHBondContact OG-N 3.07Å; F417-I421 HydrophobicContact CB-CD1 3.44Å; F417-I421 VanDerWaalsContact CB-CD1 3.44Å; F417-I421 HydrophobicContact CB-CG1 4.13Å; F417-I421 HydrophobicContact CD1-CD1 3.52Å; F417-I421 HydrophobicContact CD2-CD1 3.72Å; F417-I421 HydrophobicContact CD2-CG1 4.07Å; F417-I421 HydrophobicContact CE1-CD1 4.11Å; F417-I421 HydrophobicContact CE2-CD1 4.33Å; F417-I421 HydrophobicContact CG-CD1 3.3Å; F417-I421 HydrophobicContact CG-CG1 4.09Å; I421-E425 HydrophobicContact CG2-CB 3.61Å; I421-I426 HydrophobicContact CB-CG2 4.38Å; I421-I426 HydrophobicContact CG2-CG2 3.81Å
422N67.2Low67.7Low75 Ų7533.7 Ų33.740%0.40119%0.194SC..  trans-104.6168.416592.757.3000113.9Y401 A424 E425Y401-N422 WeakPolarHBondContact OH-CA 3.19Å; Y401-N422 PolarHBondContact OH-N 2.91Å; Y401-N422 PolarHBondContact OH-O 2.79Å; N422-A424 PolarHBondContact O-N 2.88Å; N422-A424 WeakPolarHBondContact OD1-CB 3.29Å; N422-A424 PolarHBondContact OD1-N 3.38Å; N422-E425 WeakPolarHBondContact CB-OE2 3.35Å; N422-E425 PolarHBondContact N-OE2 3.41Å; N422-E425 WeakPolarHBondContact ND2-CG 3.31Å; N422-E425 PolarHBondContact ND2-OE1 3.36Å; N422-E425 PolarHBondContact ND2-OE2 2.8Å; N422-E425 PolarHBondContact OD1-N 3.42Å
423T66.9Low66.7Low27 Ų2734.6 Ų34.617%0.16620%0.199CC..THydrogen-bonded Turntrans-72.6-23.7-172.3-38.30000114.5V402 I426 E470 L474V402-T423 HydrophobicContact CG1-CG2 4.29Å; V402-T423 HydrophobicContact CG2-CG2 4.08Å; T423-I426 HydrophobicContact CG2-CD1 4.47Å; T423-I426 WeakPolarHBondContact O-CG1 3.45Å; T423-E470 WeakPolarHBondContact CG2-OE1 3.48Å; T423-L474 HydrophobicContact CG2-CD1 4.17Å
424A69.9Low66.4Low69 Ų6935.1 Ų35.157%0.5720%0.202SC*.THydrogen-bonded Turntrans-81.8-29.1177.800000112.4N422 E427N422-A424 PolarHBondContact O-N 2.88Å; N422-A424 WeakPolarHBondContact OD1-CB 3.29Å; N422-A424 PolarHBondContact OD1-N 3.38Å; A424-E427 VanDerWaalsContact O-CB 3.28Å; A424-E427 WeakPolarHBondContact O-CB 3.5Å; A424-E427 PolarHBondContact O-N 3.17Å
425E61.9Low66.2Low36 Ų3635.7 Ų35.717%0.16821%0.209CC..THydrogen-bonded Turntrans-70.1-37.4-179.1-71.1170.2144.300112V178 D179 I421 N422 E427 P429V178-E425 WeakPolarHBondContact CA-OE1 3.37Å; D179-E425 HydrophobicContact CB-CB 3.7Å; D179-E425 HydrophobicContact CB-CG 3.7Å; D179-E425 PolarHBondContact N-OE1 3.07Å; I421-E425 HydrophobicContact CG2-CB 3.61Å; N422-E425 WeakPolarHBondContact CB-OE2 3.35Å; N422-E425 PolarHBondContact N-OE2 3.41Å; N422-E425 WeakPolarHBondContact ND2-CG 3.31Å; N422-E425 PolarHBondContact ND2-OE1 3.36Å; N422-E425 PolarHBondContact ND2-OE2 2.8Å; N422-E425 PolarHBondContact OD1-N 3.42Å; E425-E427 PolarHBondContact O-N 3.06Å; E425-P429 WeakPolarHBondContact O-CD 3.42Å
426I70.8Confident65.7Low1 Ų135.2 Ų35.21%0.00521%0.207CC..THydrogen-bonded Turntrans-71.4-9.4173.163.8153.2000114.1Y401 V402 F417 I421 T423 P429 L430Y401-I426 HydrophobicContact CD1-CD1 3.44Å; Y401-I426 VanDerWaalsContact CD1-CD1 3.44Å; Y401-I426 HydrophobicContact CD1-CG1 4.44Å; Y401-I426 HydrophobicContact CE1-CD1 3.33Å; Y401-I426 HydrophobicContact CE1-CG1 3.86Å; Y401-I426 HydrophobicContact CE1-CG2 3.98Å; V402-I426 HydrophobicContact CG2-CD1 3.89Å; F417-I426 HydrophobicContact CE1-CG2 3.99Å; F417-I426 HydrophobicContact CE2-CG2 4.01Å; F417-I426 HydrophobicContact CZ-CB 4.4Å; F417-I426 HydrophobicContact CZ-CG2 3.44Å; F417-I426 VanDerWaalsContact CZ-CG2 3.44Å; I421-I426 HydrophobicContact CB-CG2 4.38Å; I421-I426 HydrophobicContact CG2-CG2 3.81Å; T423-I426 HydrophobicContact CG2-CD1 4.47Å; T423-I426 WeakPolarHBondContact O-CG1 3.45Å; I426-P429 VanDerWaalsContact C-CD 3.41Å; I426-P429 VanDerWaalsContact O-CD 3.23Å; I426-P429 WeakPolarHBondContact O-CD 3.33Å; I426-P429 WeakPolarHBondContact O-CG 3.37Å; I426-L430 HydrophobicContact CB-CD1 4.25Å; I426-L430 HydrophobicContact CD1-CD1 3.7Å; I426-L430 HydrophobicContact CG1-CD1 4.21Å; I426-L430 VanDerWaalsContact O-CB 3.24Å; I426-L430 WeakPolarHBondContact O-CB 3.4Å; I426-L430 WeakPolarHBondContact O-CD1 3.18Å; I426-L430 WeakPolarHBondContact O-CG 3.39Å; I426-L430 PolarHBondContact O-N 2.87Å
427E68.6Low65.4Low53 Ų5335.6 Ų35.625%0.24821%0.209CC..Hα-helixtrans-66.7-46.8-175.8-177146.6-101.400112.4A424 E425 Q431 K473 L474A424-E427 VanDerWaalsContact O-CB 3.28Å; A424-E427 WeakPolarHBondContact O-CB 3.5Å; A424-E427 PolarHBondContact O-N 3.17Å; E425-E427 PolarHBondContact O-N 3.06Å; E427-Q431 WeakPolarHBondContact O-CB 3.43Å; E427-Q431 WeakPolarHBondContact O-CG 3.24Å; E427-Q431 PolarHBondContact O-N 3.17Å; E427-K473 WeakPolarHBondContact OE1-CE 3.34Å; E427-K473 IonicContact OE1-NZ 3.49Å; E427-K473 PolarHBondContact OE1-NZ 2.88Å; E427-K473 IonicContact OE2-NZ 2.85Å; E427-K473 PolarHBondContact OE2-NZ 2.86Å; E427-L474 HydrophobicContact CB-CD2 3.55Å; E427-L474 HydrophobicContact CG-CD2 3.6Å; E427-L474 WeakPolarHBondContact OE1-CD2 3.5Å; E427-L474 WeakPolarHBondContact OE1-CG 3.41Å
428T65.4Low65.4Low92 Ų9241 Ų4156%0.56423%0.233SC*.Hα-helixtrans-64.4-49.3178.5-59.30000114.3L430 Q431 V432T428-L430 VanDerWaalsContact C-N 3.32Å; T428-L430 PolarHBondContact O-N 2.94Å; T428-Q431 PolarHBondContact O-N 2.86Å; T428-V432 WeakPolarHBondContact O-CG2 3.38Å; T428-V432 PolarHBondContact O-N 3.35Å
429P62.4Low65.3Low19 Ų1941.9 Ų41.912%0.12324%0.235CC..Hα-helixtrans-68.5-33-178.830.2-36.6000111.5L191 E425 I426 V432 L433L191-P429 HydrophobicContact CB-CB 4.39Å; L191-P429 HydrophobicContact CB-CG 4.03Å; L191-P429 HydrophobicContact CD1-CB 4.1Å; L191-P429 HydrophobicContact CD1-CG 3.95Å; E425-P429 WeakPolarHBondContact O-CD 3.42Å; I426-P429 VanDerWaalsContact C-CD 3.41Å; I426-P429 VanDerWaalsContact O-CD 3.23Å; I426-P429 WeakPolarHBondContact O-CD 3.33Å; I426-P429 WeakPolarHBondContact O-CG 3.37Å; P429-V432 PolarHBondContact O-N 2.93Å; P429-L433 WeakPolarHBondContact O-CB 3.27Å; P429-L433 PolarHBondContact O-N 3.29Å
430L68.6Low64.9Low1 Ų146.7 Ų46.71%0.00527%0.265CS..Hα-helixtrans-63.8-48.4170.7-73.5175.9000111.1F394 L395 I426 T428 V432 L433 I434 L475F394-L430 HydrophobicContact CD1-CD2 4.21Å; F394-L430 HydrophobicContact CE1-CD2 3.83Å; L395-L430 HydrophobicContact CD2-CD2 3.54Å; I426-L430 HydrophobicContact CB-CD1 4.25Å; I426-L430 HydrophobicContact CD1-CD1 3.7Å; I426-L430 HydrophobicContact CG1-CD1 4.21Å; I426-L430 VanDerWaalsContact O-CB 3.24Å; I426-L430 WeakPolarHBondContact O-CB 3.4Å; I426-L430 WeakPolarHBondContact O-CD1 3.18Å; I426-L430 WeakPolarHBondContact O-CG 3.39Å; I426-L430 PolarHBondContact O-N 2.87Å; T428-L430 VanDerWaalsContact C-N 3.32Å; T428-L430 PolarHBondContact O-N 2.94Å; L430-V432 VanDerWaalsContact C-N 3.27Å; L430-V432 PolarHBondContact O-N 3.35Å; L430-L433 PolarHBondContact O-N 3.46Å; L430-L433 VanDerWaalsContact O-N 3.17Å; L430-I434 HydrophobicContact CB-CD1 4.24Å; L430-I434 VanDerWaalsContact O-CB 3.24Å; L430-I434 WeakPolarHBondContact O-CB 3.33Å; L430-I434 VanDerWaalsContact O-CD1 3.27Å; L430-I434 WeakPolarHBondContact O-CD1 3.43Å; L430-I434 WeakPolarHBondContact O-CG1 3.35Å; L430-I434 PolarHBondContact O-N 3.03Å; L430-L475 HydrophobicContact CD1-CD2 3.82Å; L430-L475 HydrophobicContact CD1-CG 4.13Å; L430-L475 HydrophobicContact CD2-CD2 3.72Å; L430-L475 HydrophobicContact CG-CD2 4.29Å
431Q70.7Confident64.1Low77 Ų7747.1 Ų47.136%0.3627%0.27SS..Hα-helixtrans-60.4-35.1176.6-72.2-71-46.900112.3E427 T428 S435 K473 L474E427-Q431 WeakPolarHBondContact O-CB 3.43Å; E427-Q431 WeakPolarHBondContact O-CG 3.24Å; E427-Q431 PolarHBondContact O-N 3.17Å; T428-Q431 PolarHBondContact O-N 2.86Å; Q431-S435 WeakPolarHBondContact O-CB 3.28Å; Q431-S435 PolarHBondContact O-N 3.09Å; Q431-S435 PolarHBondContact O-OG 2.74Å; Q431-K473 PolarHBondContact NE2-O 3.37Å; Q431-L474 PolarHBondContact NE2-O 3.22Å; Q431-L474 VanDerWaalsContact NE2-O 3.1Å
432V66Low63.2Low67 Ų6755.5 Ų55.541%0.40631%0.306SS..Hα-helixtrans-67.5-46.5172.4171.60000111.9T428 P429 L430 S435 A436 F723T428-V432 WeakPolarHBondContact O-CG2 3.38Å; T428-V432 PolarHBondContact O-N 3.35Å; P429-V432 PolarHBondContact O-N 2.93Å; L430-V432 VanDerWaalsContact C-N 3.27Å; L430-V432 PolarHBondContact O-N 3.35Å; V432-S435 WeakPolarHBondContact O-CB 3.48Å; V432-S435 PolarHBondContact O-N 3.39Å; V432-A436 PolarHBondContact O-N 2.97Å; V432-F723 HydrophobicContact CG1-CD1 3.74Å; V432-F723 HydrophobicContact CG1-CE1 4.24Å; V432-F723 HydrophobicContact CG1-CG 4.5Å
433L67.2Low62.1Low20 Ų2058.8 Ų58.811%0.10532%0.323CS..Hα-helixtrans-66.5-40.8-179.8-168.466.2000111.8A391 F394 L395 P429 L430 S435 A436 L437 A725A391-L433 HydrophobicContact CB-CD1 3.94Å; A391-L433 HydrophobicContact CB-CD2 4.38Å; A391-L433 HydrophobicContact CB-CG 4.42Å; F394-L433 HydrophobicContact CB-CD2 4.47Å; F394-L433 HydrophobicContact CD1-CD2 3.51Å; F394-L433 HydrophobicContact CE1-CD2 4.03Å; F394-L433 HydrophobicContact CG-CD2 4.25Å; L395-L433 HydrophobicContact CD2-CD2 3.93Å; L395-L433 HydrophobicContact CD2-CG 4.45Å; L395-L433 HydrophobicContact CG-CD2 4.13Å; P429-L433 WeakPolarHBondContact O-CB 3.27Å; P429-L433 PolarHBondContact O-N 3.29Å; L430-L433 PolarHBondContact O-N 3.46Å; L430-L433 VanDerWaalsContact O-N 3.17Å; L433-S435 VanDerWaalsContact C-N 3.35Å; L433-A436 WeakPolarHBondContact O-CB 3.4Å; L433-A436 PolarHBondContact O-N 2.84Å; L433-L437 HydrophobicContact CG-CD1 4.09Å; L433-L437 WeakPolarHBondContact O-CB 3.48Å; L433-L437 WeakPolarHBondContact O-CD1 3.09Å; L433-L437 WeakPolarHBondContact O-CG 3.14Å; L433-L437 PolarHBondContact O-N 3.33Å; L433-A725 HydrophobicContact CD1-CB 4.11Å
434I71.5Confident61.4Low10 Ų1061.9 Ų61.95%0.05133%0.333CS..Hα-helixtrans-63.6-40.9171.6-66.5160.7000110.1L395 L430 A436 L437 K438 L474 L475L395-I434 HydrophobicContact CD1-CG1 4.3Å; L395-I434 HydrophobicContact CD2-CD1 4.36Å; L395-I434 HydrophobicContact CD2-CG1 3.84Å; L430-I434 HydrophobicContact CB-CD1 4.24Å; L430-I434 VanDerWaalsContact O-CB 3.24Å; L430-I434 WeakPolarHBondContact O-CB 3.33Å; L430-I434 VanDerWaalsContact O-CD1 3.27Å; L430-I434 WeakPolarHBondContact O-CD1 3.43Å; L430-I434 WeakPolarHBondContact O-CG1 3.35Å; L430-I434 PolarHBondContact O-N 3.03Å; I434-A436 VanDerWaalsContact C-N 3.35Å; I434-A436 PolarHBondContact O-N 2.91Å; I434-L437 PolarHBondContact O-N 3.48Å; I434-K438 HydrophobicContact CG2-CD 3.64Å; I434-K438 HydrophobicContact CG2-CG 3.97Å; I434-K438 WeakPolarHBondContact O-CB 3.46Å; I434-K438 WeakPolarHBondContact O-CG 3.42Å; I434-K438 PolarHBondContact O-N 2.81Å; I434-L474 WeakPolarHBondContact CD1-O 3.48Å; I434-L475 HydrophobicContact CD1-CD2 4.46Å
435S67.9Low60.5Low58 Ų5863 Ų6341%0.40634%0.342SS..Hα-helixtrans-62.4-41.6175.4-65.20000111.5Q431 V432 L433 S439Q431-S435 WeakPolarHBondContact O-CB 3.28Å; Q431-S435 PolarHBondContact O-N 3.09Å; Q431-S435 PolarHBondContact O-OG 2.74Å; V432-S435 WeakPolarHBondContact O-CB 3.48Å; V432-S435 PolarHBondContact O-N 3.39Å; L433-S435 VanDerWaalsContact C-N 3.35Å; S435-S439 WeakPolarHBondContact O-CA 3.29Å; S435-S439 WeakPolarHBondContact O-CB 3.45Å; S435-S439 PolarHBondContact O-N 3.1Å; S435-S439 PolarHBondContact O-OG 3.02Å
436A63.1Low60.4Low4 Ų464.5 Ų64.53%0.03335%0.348CS..Hα-helixtrans-57.5-54.3172.600000110.9V432 L433 I434 K438 S439 F723V432-A436 PolarHBondContact O-N 2.97Å; L433-A436 WeakPolarHBondContact O-CB 3.4Å; L433-A436 PolarHBondContact O-N 2.84Å; I434-A436 VanDerWaalsContact C-N 3.35Å; I434-A436 PolarHBondContact O-N 2.91Å; A436-K438 PolarHBondContact O-N 3.17Å; A436-S439 PolarHBondContact O-N 3.02Å; A436-S439 PolarHBondContact O-OG 3.5Å; A436-F723 HydrophobicContact CB-CB 4.23Å; A436-F723 HydrophobicContact CB-CD2 3.37Å; A436-F723 HydrophobicContact CB-CE2 3.91Å; A436-F723 HydrophobicContact CB-CG 3.92Å
437L64.4Low60.2Low11 Ų1165.6 Ų65.66%0.05835%0.354CS..Hα-helixtrans-70.3-23.7-176.2-69160.4000114.5A391 L395 L433 I434 W449 L451 L727A391-L437 HydrophobicContact CB-CD1 4.22Å; L395-L437 HydrophobicContact CD1-CD1 3.58Å; L395-L437 HydrophobicContact CG-CD1 4.42Å; L433-L437 HydrophobicContact CG-CD1 4.09Å; L433-L437 WeakPolarHBondContact O-CB 3.48Å; L433-L437 WeakPolarHBondContact O-CD1 3.09Å; L433-L437 WeakPolarHBondContact O-CG 3.14Å; L433-L437 PolarHBondContact O-N 3.33Å; I434-L437 PolarHBondContact O-N 3.48Å; L437-W449 HydrophobicContact CD2-CE3 3.95Å; L437-W449 HydrophobicContact CD2-CZ3 3.94Å; L437-W449 WeakPolarHBondContact O-CB 3.24Å; L437-L451 HydrophobicContact CB-CD1 4.32Å; L437-L451 HydrophobicContact CD1-CD1 3.78Å; L437-L451 HydrophobicContact CD2-CD1 3.92Å; L437-L451 HydrophobicContact CG-CD1 4.22Å; L437-L727 HydrophobicContact CD2-CD2 4.05Å
438K65.8Low60.1Low119 Ų11965.1 Ų65.152%0.51735%0.354SS..Hα-helixtrans-103.13.1177.6-68.7-167.7173.7-171.70114.3I434 A436 T440 S476I434-K438 HydrophobicContact CG2-CD 3.64Å; I434-K438 HydrophobicContact CG2-CG 3.97Å; I434-K438 WeakPolarHBondContact O-CB 3.46Å; I434-K438 WeakPolarHBondContact O-CG 3.42Å; I434-K438 PolarHBondContact O-N 2.81Å; A436-K438 PolarHBondContact O-N 3.17Å; K438-T440 PolarHBondContact O-N 2.8Å; K438-T440 PolarHBondContact O-OG1 3.28Å; K438-S476 PolarHBondContact NZ-OG 3.14Å
439S54.6Low60.4Low40 Ų4062.2 Ų62.228%0.2833%0.333SS..  trans-74.265.7-176.455.90000113.4S435 A436 D441 R722S435-S439 WeakPolarHBondContact O-CA 3.29Å; S435-S439 WeakPolarHBondContact O-CB 3.45Å; S435-S439 PolarHBondContact O-N 3.1Å; S435-S439 PolarHBondContact O-OG 3.02Å; A436-S439 PolarHBondContact O-N 3.02Å; A436-S439 PolarHBondContact O-OG 3.5Å; S439-D441 PolarHBondContact O-N 2.73Å; S439-R722 PolarHBondContact OG-NH2 3.3Å
440T48.2Very low60.8Low107 Ų10764.1 Ų64.166%0.65634%0.339SS*.  trans-73.560.4165.547.90000110.4K438 K442K438-T440 PolarHBondContact O-N 2.8Å; K438-T440 PolarHBondContact O-OG1 3.28Å; T440-K442 PolarHBondContact O-N 3.38Å
441D44.2Very low61.1Low89 Ų8966.5 Ų66.548%0.47635%0.352SS..  trans-56.7129.9172.8-121.7-32.7000109.1S439 D443 Y444S439-D441 PolarHBondContact O-N 2.73Å; D441-D443 PolarHBondContact O-N 2.72Å; D441-Y444 HydrophobicContact CB-CD2 4.01Å; D441-Y444 PolarHBondContact O-N 2.93Å
442K42.4Very low61.4Low191 Ų19162.8 Ų62.883%0.8334%0.335SS*.G310 helixtrans-63.5-22.2-168.1-70.9-176.5177.6178.80113.2T440 Y444T440-K442 PolarHBondContact O-N 3.38Å; K442-Y444 VanDerWaalsContact C-N 3.26Å; K442-Y444 PolarHBondContact O-N 2.64Å
443D43.9Very low62.3Low143 Ų14360.2 Ų60.277%0.76532%0.318SS*.G310 helixtrans-74.5-13.4177.9-59.6-23.8000113.1D441D441-D443 PolarHBondContact O-N 2.72Å
444Y52.8Low63.5Low93 Ų9360.7 Ų60.737%0.36532%0.319SS..G310 helixtrans-117.842-177.9-59.9-72.9000113.6D441 K442 K446 I447 A582 F584D441-Y444 HydrophobicContact CB-CD2 4.01Å; D441-Y444 PolarHBondContact O-N 2.93Å; K442-Y444 VanDerWaalsContact C-N 3.26Å; K442-Y444 PolarHBondContact O-N 2.64Å; Y444-K446 PolarHBondContact O-N 2.94Å; Y444-I447 PolarHBondContact O-N 3.12Å; Y444-A582 HydrophobicContact CD1-CB 3.45Å; Y444-A582 VanDerWaalsContact CD1-CB 3.45Å; Y444-A582 HydrophobicContact CD2-CB 4.46Å; Y444-A582 HydrophobicContact CE1-CB 3.96Å; Y444-A582 HydrophobicContact CG-CB 3.74Å; Y444-F584 HydrophobicContact CD2-CE1 4.03Å; Y444-F584 AromaticContact CE2-CE1 4Å; Y444-F584 HydrophobicContact CE2-CE1 4Å
445A50.5Low64.6Low93 Ų9360.2 Ų60.277%0.76932%0.317SS*.THydrogen-bonded Turntrans-57-4.6-17900000116.7
446K60.4Low65.9Low66 Ų6657.5 Ų57.529%0.28730%0.297SS..THydrogen-bonded Turntrans-80.6-10.6170.9-80.4-166.3170-164.90114.1Y444 A530 E534 T581 V689Y444-K446 PolarHBondContact O-N 2.94Å; K446-A530 HydrophobicContact CD-CB 3.95Å; K446-E534 IonicContact NZ-OE1 3.61Å; K446-E534 PolarHBondContact NZ-OE1 3.13Å; K446-T581 HydrophobicContact CD-CG2 4.1Å; K446-V689 PolarHBondContact NZ-O 2.87Å
447I65.4Low67.5Low24 Ų2457.3 Ų57.312%0.12330%0.296CS..  trans-106.5131.5-177.8-61.1-162.6000111.5Y444 F527 K528 A582 L585Y444-I447 PolarHBondContact O-N 3.12Å; I447-F527 HydrophobicContact CG2-CE2 4.05Å; I447-K528 WeakPolarHBondContact CA-O 3.41Å; I447-A582 HydrophobicContact CD1-CB 3.37Å; I447-A582 HydrophobicContact CG1-CB 4.33Å; I447-L585 HydrophobicContact CD1-CD1 3.58Å; I447-L585 HydrophobicContact CG2-CD1 4.24Å
448V67.2Low69Low43 Ų4357.4 Ų57.426%0.26130%0.298SS..EExtended strand (participates in β ladder)trans-125113.4176.1179.10000109K450 Y526 K528V448-K450 HydrophobicContact CG1-CG 4.07Å; V448-Y526 HydrophobicContact CG1-CE1 4.15Å; V448-K528 HydrophobicContact CB-CB 4.17Å; V448-K528 HydrophobicContact CB-CD 4.38Å; V448-K528 HydrophobicContact CG2-CD 4.35Å; V448-K528 PolarHBondContact N-O 2.88Å; V448-K528 PolarHBondContact O-N 3.47Å
449W70.8Confident70.3Confident31 Ų3157.5 Ų57.512%0.11730%0.301CS..EExtended strand (participates in β ladder)trans-102.3126.3166.7-89.795.4000109.1L437 V525 F527 L727 F728L437-W449 HydrophobicContact CD2-CE3 3.95Å; L437-W449 HydrophobicContact CD2-CZ3 3.94Å; L437-W449 WeakPolarHBondContact O-CB 3.24Å; W449-V525 HydrophobicContact CZ3-CG1 3.93Å; W449-F527 AromaticContact CD1-CD2 3.91Å; W449-F527 HydrophobicContact CD2-CB 4.45Å; W449-F527 AromaticContact CD2-CD2 3.94Å; W449-F527 HydrophobicContact CD2-CD2 3.94Å; W449-F527 AromaticContact CE2-CD2 3.27Å; W449-F527 AromaticContact CE2-CE2 3.87Å; W449-F527 HydrophobicContact CE3-CB 4.42Å; W449-F527 HydrophobicContact CG-CD2 4.27Å; W449-F527 HydrophobicContact CH2-CB 4.02Å; W449-F527 HydrophobicContact CH2-CD2 4.3Å; W449-F527 HydrophobicContact CH2-CG 4.24Å; W449-F527 HydrophobicContact CZ2-CB 4.03Å; W449-F527 AromaticContact CZ2-CD2 3.46Å; W449-F527 HydrophobicContact CZ2-CD2 3.46Å; W449-F527 VanDerWaalsContact CZ2-CD2 3.46Å; W449-F527 HydrophobicContact CZ2-CE2 4.06Å; W449-F527 AromaticContact CZ2-CG 3.77Å; W449-F527 HydrophobicContact CZ2-CG 3.77Å; W449-F527 HydrophobicContact CZ3-CB 4.23Å; W449-F527 AromaticContact NE1-CD2 3.3Å; W449-F527 VanDerWaalsContact NE1-CD2 3.3Å; W449-F527 AromaticContact NE1-CE2 3.49Å; W449-L727 HydrophobicContact CH2-CB 3.57Å; W449-L727 HydrophobicContact CH2-CD1 3.84Å; W449-L727 HydrophobicContact CH2-CG 4.32Å; W449-L727 HydrophobicContact CZ2-CB 3.83Å; W449-L727 HydrophobicContact CZ2-CD1 3.29Å; W449-L727 HydrophobicContact CZ2-CG 4.21Å; W449-F728 AromaticContact CH2-CD2 3.77Å; W449-F728 HydrophobicContact CH2-CD2 3.77Å; W449-F728 AromaticContact CH2-CE2 3.27Å; W449-F728 HydrophobicContact CH2-CE2 3.27Å; W449-F728 HydrophobicContact CH2-CZ 4.15Å; W449-F728 HydrophobicContact CZ2-CD2 4.46Å; W449-F728 HydrophobicContact CZ2-CE2 4.03Å; W449-F728 AromaticContact CZ3-CE2 3.92Å; W449-F728 HydrophobicContact CZ3-CE2 3.92Å; W449-F728 HydrophobicContact CZ3-CZ 4.39Å
450K71.5Confident72.1Confident59 Ų5958.1 Ų58.126%0.25731%0.308SS..EExtended strand (participates in β ladder)trans-127.1129.9171.2-70.1-54.8-156.587.30110.1V448 Q501 N503 V525 Y526V448-K450 HydrophobicContact CG1-CG 4.07Å; K450-Q501 WeakPolarHBondContact CB-O 3.39Å; K450-Q501 WeakPolarHBondContact CD-O 3.47Å; K450-Q501 VanDerWaalsContact CG-O 3.27Å; K450-Q501 WeakPolarHBondContact CG-O 3.36Å; K450-Q501 PolarHBondContact NZ-O 3.33Å; K450-N503 VanDerWaalsContact CE-OD1 3.22Å; K450-N503 WeakPolarHBondContact CE-OD1 3.06Å; K450-N503 PolarHBondContact NZ-OD1 2.87Å; K450-V525 WeakPolarHBondContact O-CA 3.34Å; K450-Y526 HydrophobicContact CB-CD1 4.12Å; K450-Y526 HydrophobicContact CG-CD1 4.2Å; K450-Y526 PolarHBondContact N-O 2.9Å; K450-Y526 PolarHBondContact O-N 2.75Å
451L74.5Confident74.3Confident51 Ų5153.8 Ų53.827%0.26728%0.281SS..EExtended strand (participates in β ladder)trans-139.1107.4-169.7-171.1136.2000108.5S392 L395 L437 N453 V525S392-L451 WeakPolarHBondContact OG-CD1 3.5Å; L395-L451 HydrophobicContact CD1-CD1 4.22Å; L395-L451 HydrophobicContact CD1-CD2 3.88Å; L437-L451 HydrophobicContact CB-CD1 4.32Å; L437-L451 HydrophobicContact CD1-CD1 3.78Å; L437-L451 HydrophobicContact CD2-CD1 3.92Å; L437-L451 HydrophobicContact CG-CD1 4.22Å; L451-N453 HydrophobicContact CD2-CB 4.3Å; L451-N453 VanDerWaalsContact CD2-CG 3.45Å; L451-N453 VanDerWaalsContact CD2-OD1 3.23Å; L451-N453 WeakPolarHBondContact CD2-OD1 3.03Å; L451-V525 HydrophobicContact CB-CG2 4.05Å; L451-V525 HydrophobicContact CD1-CG2 3.61Å; L451-V525 HydrophobicContact CG-CG2 3.77Å
452A77.5Confident76.7Confident0 Ų056 Ų560%029%0.286CS..EExtended strand (participates in β ladder)trans-103.390.9-173.600000109.6W497 Q501 T502 N523 A524A452-W497 HydrophobicContact CB-CH2 3.87Å; A452-W497 HydrophobicContact CB-CZ3 3.83Å; A452-Q501 HydrophobicContact CB-CB 3.58Å; A452-Q501 HydrophobicContact CB-CG 4.04Å; A452-T502 HydrophobicContact CB-CG2 4.34Å; A452-N523 WeakPolarHBondContact O-CA 3.28Å; A452-A524 HydrophobicContact CB-CB 4.12Å; A452-A524 PolarHBondContact N-O 3.48Å; A452-A524 PolarHBondContact O-N 3.17Å
453N84.8Confident79.3Confident12 Ų1247.6 Ų47.66%0.06425%0.25CC..EExtended strand (participates in β ladder)trans-109.3115.9178.9-71.924.7000110.5L395 M399 L451 A477 V522 N523L395-N453 VanDerWaalsContact CB-ND2 3.31Å; L395-N453 WeakPolarHBondContact CB-ND2 3.43Å; M399-N453 HydrophobicContact CE-CB 4.25Å; M399-N453 HydrophobicContact SD-CB 4.23Å; L451-N453 HydrophobicContact CD2-CB 4.3Å; L451-N453 VanDerWaalsContact CD2-CG 3.45Å; L451-N453 VanDerWaalsContact CD2-OD1 3.23Å; L451-N453 WeakPolarHBondContact CD2-OD1 3.03Å; N453-A477 HydrophobicContact CB-CB 4.01Å; N453-V522 WeakPolarHBondContact CA-O 3.37Å; N453-N523 VanDerWaalsContact CG-ND2 3.34Å; N453-N523 PolarHBondContact ND2-ND2 3.49Å; N453-N523 PolarHBondContact OD1-ND2 3.34Å
454R92.6Very high81.8Confident31 Ų3142.8 Ų42.812%0.11722%0.224CC..EExtended strand (participates in β ladder)trans-152.3148176.7-175-176.7-102.3-174.4-2.9111.5Y456 E478 V480 W497 V522R454-Y456 HydrophobicContact CB-CD2 4.45Å; R454-Y456 HydrophobicContact CB-CE2 3.96Å; R454-Y456 WeakPolarHBondContact CD-OH 2.97Å; R454-Y456 HydrophobicContact CG-CD2 4.11Å; R454-Y456 HydrophobicContact CG-CE2 3.71Å; R454-Y456 PolarHBondContact NH1-OH 3Å; R454-E478 WeakPolarHBondContact CA-O 3.12Å; R454-E478 HydrophobicContact CG-CB 4.2Å; R454-E478 WeakPolarHBondContact CG-O 3.5Å; R454-E478 IonicContact CZ-OE2 2.73Å; R454-E478 VanDerWaalsContact CZ-OE2 3.3Å; R454-E478 IonicContact NE-OE2 3.28Å; R454-E478 PolarHBondContact NE-OE2 3.1Å; R454-E478 VanDerWaalsContact NE-OE2 3.14Å; R454-E478 IonicContact NH2-OE2 2.62Å; R454-E478 PolarHBondContact NH2-OE2 3.21Å; R454-V480 HydrophobicContact CG-CG2 4.07Å; R454-W497 HydrophobicContact CB-CE3 4.15Å; R454-W497 HydrophobicContact CB-CH2 3.36Å; R454-W497 HydrophobicContact CB-CZ2 3.99Å; R454-W497 HydrophobicContact CB-CZ3 3.45Å; R454-W497 VanDerWaalsContact CB-CZ3 3.45Å; R454-W497 HydrophobicContact CG-CH2 4.39Å; R454-W497 HydrophobicContact CG-CZ3 4.45Å; R454-W497 VanDerWaalsContact NH1-CD1 3.26Å; R454-V522 PolarHBondContact N-O 2.76Å; R454-V522 VanDerWaalsContact N-O 3.07Å; R454-V522 PolarHBondContact O-N 2.72Å
455L94.5Very high83.8Confident0 Ų042.7 Ų42.70%024%0.235CC..EExtended strand (participates in β ladder)trans-102129.9170.7-78.6157.8000110.3M399 L400 Y467 L471 E478 V479 V480 L519 V521M399-L455 HydrophobicContact CB-CD1 3.59Å; M399-L455 HydrophobicContact CB-CG 4.3Å; M399-L455 HydrophobicContact CE-CD1 4.5Å; M399-L455 HydrophobicContact CE-CG 4Å; M399-L455 HydrophobicContact CG-CD1 4.49Å; M399-L455 HydrophobicContact SD-CD1 4.22Å; M399-L455 HydrophobicContact SD-CG 4.23Å; L400-L455 HydrophobicContact CD2-CD2 3.91Å; L455-Y467 HydrophobicContact CD1-CE1 4.38Å; L455-Y467 WeakPolarHBondContact CD1-OH 3.47Å; L455-L471 HydrophobicContact CD1-CD1 4.04Å; L455-E478 PolarHBondContact N-O 3.1Å; L455-V479 HydrophobicContact CB-CB 3.88Å; L455-V479 HydrophobicContact CB-CG2 3.64Å; L455-V479 HydrophobicContact CD1-CB 4.5Å; L455-V479 WeakPolarHBondContact O-CA 3.38Å; L455-V480 PolarHBondContact O-N 2.79Å; L455-L519 HydrophobicContact CD2-CD1 4.32Å; L455-L519 HydrophobicContact CD2-CD2 3.45Å; L455-L519 VanDerWaalsContact CD2-CD2 3.45Å; L455-L519 HydrophobicContact CD2-CG 4.17Å; L455-V521 HydrophobicContact CD2-CB 4.23Å; L455-V521 HydrophobicContact CD2-CG1 4.13Å; L455-V521 HydrophobicContact CD2-CG2 3.73Å
456Y95.7Very high85.9Confident0 Ų041.6 Ų41.60%023%0.226CC..EExtended strand (participates in β ladder)trans-111.2115.6176.2-74.7-93.7000109R454 V480 I482 V494 W497 L519 V520 V522R454-Y456 HydrophobicContact CB-CD2 4.45Å; R454-Y456 HydrophobicContact CB-CE2 3.96Å; R454-Y456 WeakPolarHBondContact CD-OH 2.97Å; R454-Y456 HydrophobicContact CG-CD2 4.11Å; R454-Y456 HydrophobicContact CG-CE2 3.71Å; R454-Y456 PolarHBondContact NH1-OH 3Å; Y456-V480 HydrophobicContact CD1-CG2 3.61Å; Y456-V480 HydrophobicContact CE1-CG2 3.68Å; Y456-V480 HydrophobicContact CG-CG2 4.16Å; Y456-I482 HydrophobicContact CD1-CB 4.18Å; Y456-I482 HydrophobicContact CD1-CD1 3.68Å; Y456-I482 HydrophobicContact CD1-CG2 4.16Å; Y456-I482 HydrophobicContact CE1-CD1 3.97Å; Y456-V494 HydrophobicContact CD1-CG2 3.61Å; Y456-V494 HydrophobicContact CD2-CG2 3.96Å; Y456-V494 HydrophobicContact CE1-CB 4.48Å; Y456-V494 HydrophobicContact CE1-CG2 3.52Å; Y456-V494 HydrophobicContact CE2-CB 4.49Å; Y456-V494 HydrophobicContact CE2-CG1 4.31Å; Y456-V494 HydrophobicContact CE2-CG2 3.88Å; Y456-V494 HydrophobicContact CG-CG2 3.82Å; Y456-W497 HydrophobicContact CE2-CE3 4.37Å; Y456-W497 WeakPolarHBondContact OH-CB 3.44Å; Y456-L519 CarbonylContact O-C 3.56Å; Y456-L519 VanDerWaalsContact O-CA 3.29Å; Y456-L519 WeakPolarHBondContact O-CA 3.2Å; Y456-V520 PolarHBondContact N-O 3.39Å; Y456-V520 PolarHBondContact O-N 2.56Å; Y456-V522 HydrophobicContact CD2-CB 4.25Å; Y456-V522 HydrophobicContact CD2-CG2 3.65Å; Y456-V522 HydrophobicContact CE2-CB 4.21Å; Y456-V522 HydrophobicContact CE2-CG2 3.91Å
457V96.3Very high87.5Confident0 Ų038.6 Ų38.60%021%0.213CC..EExtended strand (participates in β ladder)trans-113.3134-173.7178.70000109.8M459 F461 I463 V479 V480 N481 I482 L519 V660 L666V457-M459 PolarHBondContact O-N 3.29Å; V457-F461 HydrophobicContact CG1-CB 3.89Å; V457-I463 HydrophobicContact CB-CD1 4.42Å; V457-I463 HydrophobicContact CB-CG1 4.31Å; V457-I463 HydrophobicContact CG1-CG1 4.5Å; V457-I463 HydrophobicContact CG2-CG1 4.42Å; V457-V479 HydrophobicContact CG2-CG2 3.69Å; V457-V480 PolarHBondContact N-O 2.73Å; V457-N481 CarbonylContact O-C 3.52Å; V457-N481 WeakPolarHBondContact O-CA 3.45Å; V457-N481 PolarHBondContact O-ND2 3.15Å; V457-N481 VanDerWaalsContact O-ND2 3.12Å; V457-I482 PolarHBondContact O-N 3.27Å; V457-L519 HydrophobicContact CG2-CD1 4.11Å; V457-L519 HydrophobicContact CG2-CG 4.07Å; V457-V660 HydrophobicContact CG2-CG1 4.17Å; V457-L666 HydrophobicContact CG1-CD1 4.25Å
458S95.5Very high88.9Confident14 Ų1441.4 Ų41.410%0.09823%0.225CC..EExtended strand (participates in β ladder)trans-54.2135.2177.5177.30000111.5A460 F461 N481 I482 T518S458-A460 PolarHBondContact O-N 2.86Å; S458-A460 PolarHBondContact OG-N 2.86Å; S458-F461 PolarHBondContact O-N 3.11Å; S458-N481 PolarHBondContact O-ND2 3.14Å; S458-N481 VanDerWaalsContact O-ND2 3.12Å; S458-I482 CarbonylContact C-O 3.54Å; S458-I482 WeakPolarHBondContact CA-O 3.37Å; S458-T518 WeakPolarHBondContact CB-O 3.26Å; S458-T518 PolarHBondContact N-O 2.84Å
459M93.1Very high90.1Very high121 Ų12146.7 Ų46.760%0.59625%0.245SC*.THydrogen-bonded Turntrans-51-19.3172.8-73.3-103.2-177.800113.7V457 F461 N481 I482 D483V457-M459 PolarHBondContact O-N 3.29Å; M459-F461 PolarHBondContact O-N 3.23Å; M459-N481 HydrophobicContact SD-CB 4.46Å; M459-I482 VanDerWaalsContact CG-C 3.45Å; M459-I482 VanDerWaalsContact CG-O 3.3Å; M459-I482 WeakPolarHBondContact CG-O 3.45Å; M459-I482 PolarHBondContact N-O 3.43Å; M459-D483 HydrophobicContact CG-CB 4.11Å
460A91.9Very high90.9Very high52 Ų5247.4 Ų47.443%0.4325%0.249SC..THydrogen-bonded Turntrans-66.8-13.8172.200000114.3S458 K663S458-A460 PolarHBondContact O-N 2.86Å; S458-A460 PolarHBondContact OG-N 2.86Å; A460-K663 VanDerWaalsContact O-CD 3.26Å; A460-K663 WeakPolarHBondContact O-CD 3.33Å; A460-K663 PolarHBondContact O-NZ 3.23Å
461F95.3Very high91.8Very high16 Ų1644.6 Ų44.67%0.0724%0.237CC..SBendtrans-124.9118.7-177.3-62.3-97.8000110.3V457 S458 M459 I463 N481 T518 K663 A664 H665 L666V457-F461 HydrophobicContact CG1-CB 3.89Å; S458-F461 PolarHBondContact O-N 3.11Å; M459-F461 PolarHBondContact O-N 3.23Å; F461-I463 PolarHBondContact O-N 3Å; F461-N481 PolarHBondContact O-ND2 3.05Å; F461-T518 HydrophobicContact CE2-CG2 3.74Å; F461-T518 HydrophobicContact CZ-CG2 4.08Å; F461-K663 HydrophobicContact CD1-CB 3.98Å; F461-K663 HydrophobicContact CD1-CD 4.03Å; F461-K663 HydrophobicContact CD1-CG 4.07Å; F461-K663 HydrophobicContact CE1-CB 4.48Å; F461-K663 HydrophobicContact CE1-CD 4.27Å; F461-K663 HydrophobicContact CE1-CG 4.17Å; F461-A664 WeakPolarHBondContact CE1-O 3.49Å; F461-H665 WeakPolarHBondContact CZ-O 3.44Å; F461-L666 HydrophobicContact CB-CD1 4.39Å; F461-L666 HydrophobicContact CD1-CB 3.73Å; F461-L666 HydrophobicContact CD1-CD1 4.08Å; F461-L666 HydrophobicContact CD1-CD2 4.48Å; F461-L666 HydrophobicContact CD1-CG 4.31Å; F461-L666 HydrophobicContact CD2-CD1 4.2Å; F461-L666 HydrophobicContact CE1-CB 3.75Å; F461-L666 HydrophobicContact CE1-CD1 4.38Å; F461-L666 HydrophobicContact CG-CB 4.47Å; F461-L666 HydrophobicContact CG-CD1 3.97Å
462K94.7Very high92.4Very high136 Ų13648.4 Ų48.459%0.59125%0.254SS*.PPolyproline II helixtrans-76.1123.3-179.3-178-172.8174.2-169.30110.1S661K462-S661 PolarHBondContact N-OG 2.95Å; K462-S661 WeakPolarHBondContact O-CA 3.35Å; K462-S661 VanDerWaalsContact O-CB 3.26Å; K462-S661 WeakPolarHBondContact O-CB 3.32Å; K462-S661 PolarHBondContact O-OG 2.95Å
463I96.6Very high92.8Very high14 Ų1454.5 Ų54.57%0.07228%0.28CS..BIsolated β-bridgetrans-66135.1172.9-64.8161.8000110.2V457 F461 Q468 V479 V480 N481 V660V457-I463 HydrophobicContact CB-CD1 4.42Å; V457-I463 HydrophobicContact CB-CG1 4.31Å; V457-I463 HydrophobicContact CG1-CG1 4.5Å; V457-I463 HydrophobicContact CG2-CG1 4.42Å; F461-I463 PolarHBondContact O-N 3Å; I463-Q468 HydrophobicContact CG2-CB 4.19Å; I463-V479 HydrophobicContact CD1-CG2 3.8Å; I463-V479 HydrophobicContact CG1-CG2 4.12Å; I463-V479 HydrophobicContact CG2-CG1 3.84Å; I463-V480 VanDerWaalsContact CD1-C 3.43Å; I463-N481 HydrophobicContact CD1-CB 4.24Å; I463-N481 WeakPolarHBondContact CD1-OD1 3.36Å; I463-N481 WeakPolarHBondContact CG1-OD1 3.26Å; I463-V660 CarbonylContact C-O 3.56Å; I463-V660 WeakPolarHBondContact CA-O 3.2Å
464L96.6Very high92.6Very high43 Ų4354.1 Ų54.123%0.22528%0.278CS..PPolyproline II helixtrans-81.8124.4174.3-62.5-175.3000111.3A466 Y467 Q468 V660 D662L464-A466 PolarHBondContact O-N 2.73Å; L464-A466 VanDerWaalsContact O-N 3.11Å; L464-Y467 PolarHBondContact O-N 3.19Å; L464-Q468 PolarHBondContact O-N 3.38Å; L464-V660 PolarHBondContact N-O 3.03Å; L464-D662 HydrophobicContact CD2-CB 4.17Å
465P95.4Very high91.9Very high90 Ų9053.1 Ų53.158%0.58428%0.275SS*.Hα-helixtrans-60.1-25.9-178.2-2735.3000114.7K469P465-K469 WeakPolarHBondContact O-CB 3.49Å; P465-K469 PolarHBondContact O-N 3.17Å; P465-K469 VanDerWaalsContact O-N 3.13Å
466A93.8Very high91.2Very high71 Ų7156 Ų5659%0.58730%0.296SS*.Hα-helixtrans-62.2-48.8174.500000111.2L464 K469 E470L464-A466 PolarHBondContact O-N 2.73Å; L464-A466 VanDerWaalsContact O-N 3.11Å; A466-K469 PolarHBondContact O-N 3.29Å; A466-E470 VanDerWaalsContact O-CB 3.32Å; A466-E470 WeakPolarHBondContact O-CB 3.44Å; A466-E470 PolarHBondContact O-N 3.05Å
467Y94.8Very high90.7Very high2 Ų256.3 Ų56.31%0.00830%0.298CS..Hα-helixtrans-66.5-42.6178.5170.4-113.5000112.3M399 V402 G403 L455 L464 K469 E470 L471 V479 R659 V660M399-Y467 PolarHBondContact O-OH 3.21Å; V402-Y467 HydrophobicContact CB-CE2 4.05Å; V402-Y467 HydrophobicContact CG1-CD2 3.95Å; V402-Y467 HydrophobicContact CG1-CE2 3.87Å; G403-Y467 VanDerWaalsContact N-CE2 3.28Å; L455-Y467 HydrophobicContact CD1-CE1 4.38Å; L455-Y467 WeakPolarHBondContact CD1-OH 3.47Å; L464-Y467 PolarHBondContact O-N 3.19Å; Y467-K469 VanDerWaalsContact C-N 3.32Å; Y467-K469 PolarHBondContact O-N 3.21Å; Y467-E470 PolarHBondContact O-N 2.84Å; Y467-E470 VanDerWaalsContact O-N 3.11Å; Y467-L471 HydrophobicContact CD1-CD1 4.15Å; Y467-L471 HydrophobicContact CE1-CD1 3.49Å; Y467-L471 VanDerWaalsContact CE1-CD1 3.49Å; Y467-L471 HydrophobicContact CE1-CG 4.47Å; Y467-L471 HydrophobicContact CE2-CD1 4Å; Y467-L471 HydrophobicContact CE2-CG 4.13Å; Y467-L471 VanDerWaalsContact CZ-CD1 3.42Å; Y467-L471 WeakPolarHBondContact O-CB 3.14Å; Y467-L471 PolarHBondContact O-N 3.16Å; Y467-V479 HydrophobicContact CD1-CG1 4.08Å; Y467-V479 HydrophobicContact CE1-CB 4.33Å; Y467-V479 HydrophobicContact CE1-CG1 3.99Å; Y467-V479 HydrophobicContact CE1-CG2 4.33Å; Y467-R659 WeakPolarHBondContact CB-O 3.34Å; Y467-V660 HydrophobicContact CD1-CB 4.18Å; Y467-V660 HydrophobicContact CD1-CG1 4.07Å; Y467-V660 HydrophobicContact CD1-CG2 4.15Å; Y467-V660 HydrophobicContact CE1-CB 4.07Å; Y467-V660 HydrophobicContact CE1-CG1 3.79Å; Y467-V660 HydrophobicContact CE1-CG2 3.69Å; Y467-V660 HydrophobicContact CE2-CG2 4.42Å
468Q93.8Very high90.3Very high83 Ų8360.8 Ų60.839%0.38832%0.319SS..Hα-helixtrans-57.8-44.2177.6-164.2170.738.300111.7I463 L464 L471 E472 V479I463-Q468 HydrophobicContact CG2-CB 4.19Å; L464-Q468 PolarHBondContact O-N 3.38Å; Q468-L471 WeakPolarHBondContact O-CB 3.42Å; Q468-E472 WeakPolarHBondContact O-CB 3.36Å; Q468-E472 PolarHBondContact O-N 2.7Å; Q468-E472 VanDerWaalsContact O-N 3.08Å; Q468-V479 HydrophobicContact CB-CG1 4.03Å; Q468-V479 HydrophobicContact CG-CG1 3.84Å; Q468-V479 PolarHBondContact NE2-O 2.93Å
469K91.9Very high90.3Very high154 Ų15460.1 Ų60.167%0.6731%0.314SS*.Hα-helixtrans-68.6-34.5174.5-175.6177-179.3178.50113.6P465 A466 Y467 K473P465-K469 WeakPolarHBondContact O-CB 3.49Å; P465-K469 PolarHBondContact O-N 3.17Å; P465-K469 VanDerWaalsContact O-N 3.13Å; A466-K469 PolarHBondContact O-N 3.29Å; Y467-K469 VanDerWaalsContact C-N 3.32Å; Y467-K469 PolarHBondContact O-N 3.21Å; K469-K473 WeakPolarHBondContact O-CB 3.39Å; K469-K473 PolarHBondContact O-N 3.01Å; K469-K473 VanDerWaalsContact O-N 3.13Å
470E89Confident90.4Very high46 Ų4655.9 Ų55.922%0.21530%0.295CS..Hα-helixtrans-69.1-41.4177.8-160.3168.4143.700110.5V402 T423 A466 Y467 L474 R659V402-E470 HydrophobicContact CG1-CB 4.37Å; V402-E470 HydrophobicContact CG1-CG 3.96Å; T423-E470 WeakPolarHBondContact CG2-OE1 3.48Å; A466-E470 VanDerWaalsContact O-CB 3.32Å; A466-E470 WeakPolarHBondContact O-CB 3.44Å; A466-E470 PolarHBondContact O-N 3.05Å; Y467-E470 PolarHBondContact O-N 2.84Å; Y467-E470 VanDerWaalsContact O-N 3.11Å; E470-L474 HydrophobicContact CG-CD1 3.8Å; E470-L474 VanDerWaalsContact O-CB 3.28Å; E470-L474 WeakPolarHBondContact O-CB 3.45Å; E470-L474 PolarHBondContact O-N 3.08Å; E470-R659 VanDerWaalsContact CD-NH2 3.35Å; E470-R659 IonicContact OE1-CZ 2.67Å; E470-R659 IonicContact OE1-NH1 3.63Å; E470-R659 PolarHBondContact OE1-NH1 2.66Å; E470-R659 IonicContact OE1-NH2 3.1Å; E470-R659 PolarHBondContact OE1-NH2 3.11Å; E470-R659 VanDerWaalsContact OE1-NH2 3.13Å; E470-R659 IonicContact OE2-CZ 3.2Å; E470-R659 IonicContact OE2-NH1 3.64Å; E470-R659 IonicContact OE2-NH2 2.69Å; E470-R659 PolarHBondContact OE2-NH2 2.88Å
471L90Very high90.5Very high0 Ų055.9 Ų55.90%029%0.288CS..Hα-helixtrans-56.9-52.6170.3-113.3168.7000112.9M399 L455 Y467 Q468 K473 L474 L475 S476 A477 V479M399-L471 HydrophobicContact CB-CD2 3.94Å; M399-L471 HydrophobicContact CG-CD2 3.73Å; M399-L471 HydrophobicContact SD-CD2 3.97Å; L455-L471 HydrophobicContact CD1-CD1 4.04Å; Y467-L471 HydrophobicContact CD1-CD1 4.15Å; Y467-L471 HydrophobicContact CE1-CD1 3.49Å; Y467-L471 VanDerWaalsContact CE1-CD1 3.49Å; Y467-L471 HydrophobicContact CE1-CG 4.47Å; Y467-L471 HydrophobicContact CE2-CD1 4Å; Y467-L471 HydrophobicContact CE2-CG 4.13Å; Y467-L471 VanDerWaalsContact CZ-CD1 3.42Å; Y467-L471 WeakPolarHBondContact O-CB 3.14Å; Y467-L471 PolarHBondContact O-N 3.16Å; Q468-L471 WeakPolarHBondContact O-CB 3.42Å; L471-K473 VanDerWaalsContact C-N 3.31Å; L471-K473 PolarHBondContact O-N 3.29Å; L471-L474 PolarHBondContact O-N 2.79Å; L471-L475 HydrophobicContact CD2-CB 4.24Å; L471-L475 HydrophobicContact CD2-CD1 3.96Å; L471-L475 WeakPolarHBondContact O-CA 3.38Å; L471-L475 WeakPolarHBondContact O-CB 3.32Å; L471-L475 PolarHBondContact O-N 3.03Å; L471-S476 PolarHBondContact O-N 3.48Å; L471-A477 HydrophobicContact CD2-CB 4.01Å; L471-V479 HydrophobicContact CD1-CB 3.73Å; L471-V479 HydrophobicContact CD1-CG1 3.59Å
472E87.1Confident90.5Very high132 Ų13255.2 Ų55.262%0.61729%0.285SS*.Hα-helixtrans-61.6-40.8-177.2-170.4177.5-147.500111.2Q468 S476Q468-E472 WeakPolarHBondContact O-CB 3.36Å; Q468-E472 PolarHBondContact O-N 2.7Å; Q468-E472 VanDerWaalsContact O-N 3.08Å; E472-S476 VanDerWaalsContact O-CA 3.27Å; E472-S476 WeakPolarHBondContact O-CA 3.49Å; E472-S476 PolarHBondContact O-N 2.71Å
473K84.9Confident90.4Very high127 Ų12750.8 Ų50.855%0.55227%0.268SS*.Hα-helixtrans-67.1-54.4174.6-174.3-147.4173.4-156.30112.7E427 Q431 K469 L471E427-K473 WeakPolarHBondContact OE1-CE 3.34Å; E427-K473 IonicContact OE1-NZ 3.49Å; E427-K473 PolarHBondContact OE1-NZ 2.88Å; E427-K473 IonicContact OE2-NZ 2.85Å; E427-K473 PolarHBondContact OE2-NZ 2.86Å; Q431-K473 PolarHBondContact NE2-O 3.37Å; K469-K473 WeakPolarHBondContact O-CB 3.39Å; K469-K473 PolarHBondContact O-N 3.01Å; K469-K473 VanDerWaalsContact O-N 3.13Å; L471-K473 VanDerWaalsContact C-N 3.31Å; L471-K473 PolarHBondContact O-N 3.29Å
474L80.4Confident90.2Very high4 Ų450.2 Ų50.22%0.02127%0.265CS..Hα-helixtrans-72.3-45.4-171.6-85.8157.2000112.8V402 T423 E427 Q431 I434 E470 L471V402-L474 HydrophobicContact CG1-CD1 4.18Å; V402-L474 HydrophobicContact CG2-CD1 3.91Å; T423-L474 HydrophobicContact CG2-CD1 4.17Å; E427-L474 HydrophobicContact CB-CD2 3.55Å; E427-L474 HydrophobicContact CG-CD2 3.6Å; E427-L474 WeakPolarHBondContact OE1-CD2 3.5Å; E427-L474 WeakPolarHBondContact OE1-CG 3.41Å; Q431-L474 PolarHBondContact NE2-O 3.22Å; Q431-L474 VanDerWaalsContact NE2-O 3.1Å; I434-L474 WeakPolarHBondContact CD1-O 3.48Å; E470-L474 HydrophobicContact CG-CD1 3.8Å; E470-L474 VanDerWaalsContact O-CB 3.28Å; E470-L474 WeakPolarHBondContact O-CB 3.45Å; E470-L474 PolarHBondContact O-N 3.08Å; L471-L474 PolarHBondContact O-N 2.79Å
475L78.9Confident89.8Confident10 Ų1052.2 Ų52.25%0.05228%0.279CS..Hα-helixtrans-116.9-13.7-163.5-73.2154.1000113L395 M399 V402 L430 I434 L471 A477L395-L475 HydrophobicContact CB-CD2 4.4Å; L395-L475 HydrophobicContact CD2-CD2 3.88Å; M399-L475 HydrophobicContact CB-CD1 4.36Å; M399-L475 HydrophobicContact CG-CD1 3.98Å; V402-L475 HydrophobicContact CG2-CD1 4.37Å; L430-L475 HydrophobicContact CD1-CD2 3.82Å; L430-L475 HydrophobicContact CD1-CG 4.13Å; L430-L475 HydrophobicContact CD2-CD2 3.72Å; L430-L475 HydrophobicContact CG-CD2 4.29Å; I434-L475 HydrophobicContact CD1-CD2 4.46Å; L471-L475 HydrophobicContact CD2-CB 4.24Å; L471-L475 HydrophobicContact CD2-CD1 3.96Å; L471-L475 WeakPolarHBondContact O-CA 3.38Å; L471-L475 WeakPolarHBondContact O-CB 3.32Å; L471-L475 PolarHBondContact O-N 3.03Å; L475-A477 HydrophobicContact CB-CB 4.06Å; L475-A477 PolarHBondContact O-N 3.23Å
476S79.5Confident89.5Confident62 Ų6253.6 Ų53.643%0.43428%0.276SS..SBendtrans49.936.5-167.7-52.60000112.9K438 L471 E472K438-S476 PolarHBondContact NZ-OG 3.14Å; L471-S476 PolarHBondContact O-N 3.48Å; E472-S476 VanDerWaalsContact O-CA 3.27Å; E472-S476 WeakPolarHBondContact O-CA 3.49Å; E472-S476 PolarHBondContact O-N 2.71Å
477A85Confident89.2Confident5 Ų551 Ų514%0.04126%0.256CS..  trans-121.8155.7-178.300000109.3M399 N453 L471 L475M399-A477 HydrophobicContact CG-CB 4.4Å; M399-A477 HydrophobicContact SD-CB 3.62Å; N453-A477 HydrophobicContact CB-CB 4.01Å; L471-A477 HydrophobicContact CD2-CB 4.01Å; L475-A477 HydrophobicContact CB-CB 4.06Å; L475-A477 PolarHBondContact O-N 3.23Å
478E89Confident88.8Confident94 Ų9454.3 Ų54.344%0.43928%0.284SS..EExtended strand (participates in β ladder)trans-109.2156-171-68.4174.1-167.700112.4R454 L455R454-E478 WeakPolarHBondContact CA-O 3.12Å; R454-E478 HydrophobicContact CG-CB 4.2Å; R454-E478 WeakPolarHBondContact CG-O 3.5Å; R454-E478 IonicContact CZ-OE2 2.73Å; R454-E478 VanDerWaalsContact CZ-OE2 3.3Å; R454-E478 IonicContact NE-OE2 3.28Å; R454-E478 PolarHBondContact NE-OE2 3.1Å; R454-E478 VanDerWaalsContact NE-OE2 3.14Å; R454-E478 IonicContact NH2-OE2 2.62Å; R454-E478 PolarHBondContact NH2-OE2 3.21Å; L455-E478 PolarHBondContact N-O 3.1Å
479V94.1Very high88.7Confident0 Ų054.5 Ų54.50%029%0.29CS..EExtended strand (participates in β ladder)trans-127.1130.6165.258.60000108.9L455 V457 I463 Y467 Q468 L471L455-V479 HydrophobicContact CB-CB 3.88Å; L455-V479 HydrophobicContact CB-CG2 3.64Å; L455-V479 HydrophobicContact CD1-CB 4.5Å; L455-V479 WeakPolarHBondContact O-CA 3.38Å; V457-V479 HydrophobicContact CG2-CG2 3.69Å; I463-V479 HydrophobicContact CD1-CG2 3.8Å; I463-V479 HydrophobicContact CG1-CG2 4.12Å; I463-V479 HydrophobicContact CG2-CG1 3.84Å; Y467-V479 HydrophobicContact CD1-CG1 4.08Å; Y467-V479 HydrophobicContact CE1-CB 4.33Å; Y467-V479 HydrophobicContact CE1-CG1 3.99Å; Y467-V479 HydrophobicContact CE1-CG2 4.33Å; Q468-V479 HydrophobicContact CB-CG1 4.03Å; Q468-V479 HydrophobicContact CG-CG1 3.84Å; Q468-V479 PolarHBondContact NE2-O 2.93Å; L471-V479 HydrophobicContact CD1-CB 3.73Å; L471-V479 HydrophobicContact CD1-CG1 3.59Å
480V95.4Very high88.7Confident33 Ų3347.3 Ų47.320%0.226%0.259CS..EExtended strand (participates in β ladder)trans-133.4148.2-173.8-69.90000111.3R454 L455 Y456 V457 I463R454-V480 HydrophobicContact CG-CG2 4.07Å; L455-V480 PolarHBondContact O-N 2.79Å; Y456-V480 HydrophobicContact CD1-CG2 3.61Å; Y456-V480 HydrophobicContact CE1-CG2 3.68Å; Y456-V480 HydrophobicContact CG-CG2 4.16Å; V457-V480 PolarHBondContact N-O 2.73Å; I463-V480 VanDerWaalsContact CD1-C 3.43Å
481N95.2Very high88.7Confident51 Ų5145.3 Ų45.327%0.27325%0.25SS..EExtended strand (participates in β ladder)trans-88.4133.7174.1-88.2124.9000110.5V457 S458 M459 F461 I463V457-N481 CarbonylContact O-C 3.52Å; V457-N481 WeakPolarHBondContact O-CA 3.45Å; V457-N481 PolarHBondContact O-ND2 3.15Å; V457-N481 VanDerWaalsContact O-ND2 3.12Å; S458-N481 PolarHBondContact O-ND2 3.14Å; S458-N481 VanDerWaalsContact O-ND2 3.12Å; M459-N481 HydrophobicContact SD-CB 4.46Å; F461-N481 PolarHBondContact O-ND2 3.05Å; I463-N481 HydrophobicContact CD1-CB 4.24Å; I463-N481 WeakPolarHBondContact CD1-OD1 3.36Å; I463-N481 WeakPolarHBondContact CG1-OD1 3.26Å
482I94.1Very high88.8Confident2 Ų250.1 Ų50.11%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-135152.1-179-163.4164.1000111.4Y456 V457 S458 M459 F484 A490 E493 V494Y456-I482 HydrophobicContact CD1-CB 4.18Å; Y456-I482 HydrophobicContact CD1-CD1 3.68Å; Y456-I482 HydrophobicContact CD1-CG2 4.16Å; Y456-I482 HydrophobicContact CE1-CD1 3.97Å; V457-I482 PolarHBondContact O-N 3.27Å; S458-I482 CarbonylContact C-O 3.54Å; S458-I482 WeakPolarHBondContact CA-O 3.37Å; M459-I482 VanDerWaalsContact CG-C 3.45Å; M459-I482 VanDerWaalsContact CG-O 3.3Å; M459-I482 WeakPolarHBondContact CG-O 3.45Å; M459-I482 PolarHBondContact N-O 3.43Å; I482-F484 HydrophobicContact CG2-CD1 3.85Å; I482-F484 HydrophobicContact CG2-CD2 3.99Å; I482-F484 HydrophobicContact CG2-CE1 3.48Å; I482-F484 VanDerWaalsContact CG2-CE1 3.48Å; I482-F484 HydrophobicContact CG2-CE2 3.63Å; I482-F484 HydrophobicContact CG2-CG 4.1Å; I482-F484 HydrophobicContact CG2-CZ 3.37Å; I482-F484 PolarHBondContact O-N 3.01Å; I482-A490 HydrophobicContact CD1-CB 3.96Å; I482-A490 WeakPolarHBondContact CD1-O 3.19Å; I482-A490 HydrophobicContact CG1-CB 4.02Å; I482-E493 HydrophobicContact CD1-CB 4.07Å; I482-E493 HydrophobicContact CD1-CG 4.33Å; I482-V494 HydrophobicContact CD1-CG2 4.02Å
483D92.8Very high89.1Confident43 Ų4348.2 Ų48.223%0.2327%0.267CS..  trans-94.681.8-178.3-171.4-0.2000111.9M459 T485 K486M459-D483 HydrophobicContact CG-CB 4.11Å; D483-T485 PolarHBondContact O-N 2.93Å; D483-T485 WeakPolarHBondContact OD1-CB 3.45Å; D483-T485 PolarHBondContact OD1-N 3.3Å; D483-T485 PolarHBondContact OD1-OG1 3.03Å; D483-K486 PolarHBondContact O-N 2.97Å; D483-K486 IonicContact OD2-NZ 2.73Å; D483-K486 PolarHBondContact OD2-NZ 2.97Å
484F92.5Very high89.4Confident2 Ų242.1 Ų42.11%0.00924%0.241CC..THydrogen-bonded Turntrans-61.8-12.3178.9-66.9-56000114.6I482 K486 A490 V513 T517 V520I482-F484 HydrophobicContact CG2-CD1 3.85Å; I482-F484 HydrophobicContact CG2-CD2 3.99Å; I482-F484 HydrophobicContact CG2-CE1 3.48Å; I482-F484 VanDerWaalsContact CG2-CE1 3.48Å; I482-F484 HydrophobicContact CG2-CE2 3.63Å; I482-F484 HydrophobicContact CG2-CG 4.1Å; I482-F484 HydrophobicContact CG2-CZ 3.37Å; I482-F484 PolarHBondContact O-N 3.01Å; F484-K486 PolarHBondContact O-N 2.77Å; F484-A490 HydrophobicContact CD1-CB 3.97Å; F484-V513 HydrophobicContact CB-CG2 4.49Å; F484-V513 HydrophobicContact CD1-CB 4.06Å; F484-V513 HydrophobicContact CD1-CG1 4.17Å; F484-V513 HydrophobicContact CD1-CG2 3.75Å; F484-V513 HydrophobicContact CE1-CG1 4.25Å; F484-T517 HydrophobicContact CD1-CG2 4.01Å; F484-T517 HydrophobicContact CD2-CG2 3.8Å; F484-T517 WeakPolarHBondContact CD2-O 3.2Å; F484-T517 HydrophobicContact CE1-CG2 4Å; F484-T517 HydrophobicContact CE2-CG2 3.79Å; F484-T517 HydrophobicContact CG-CG2 3.91Å; F484-T517 HydrophobicContact CZ-CG2 3.89Å; F484-V520 HydrophobicContact CE1-CG2 4.09Å; F484-V520 HydrophobicContact CZ-CB 4.24Å; F484-V520 HydrophobicContact CZ-CG2 3.75Å
485T88.1Confident90Very high85 Ų8542.6 Ų42.652%0.52124%0.243SC..THydrogen-bonded Turntrans-70.4-16.6171.673.60000112.5D483D483-T485 PolarHBondContact O-N 2.93Å; D483-T485 WeakPolarHBondContact OD1-CB 3.45Å; D483-T485 PolarHBondContact OD1-N 3.3Å; D483-T485 PolarHBondContact OD1-OG1 3.03Å
486K90Very high90.7Very high120 Ų12045.9 Ų45.952%0.52226%0.257SS..SBendtrans-101.860171.7-59.2-169.5-178.486.40109.9D483 F484 A488 V489 A490D483-K486 PolarHBondContact O-N 2.97Å; D483-K486 IonicContact OD2-NZ 2.73Å; D483-K486 PolarHBondContact OD2-NZ 2.97Å; F484-K486 PolarHBondContact O-N 2.77Å; K486-A488 VanDerWaalsContact C-N 3.34Å; K486-A488 PolarHBondContact O-N 3.44Å; K486-A488 VanDerWaalsContact O-N 3.07Å; K486-V489 HydrophobicContact CB-CB 4.13Å; K486-V489 HydrophobicContact CB-CG2 4.31Å; K486-V489 PolarHBondContact O-N 2.77Å; K486-A490 PolarHBondContact O-N 3.15Å
487G86.6Confident91.3Very high17 Ų1744.2 Ų44.218%0.17524%0.241CC..Hα-helixtrans-43.5-49.5-164.400000116A490 C491 V513G487-A490 PolarHBondContact O-N 2.91Å; G487-C491 PolarHBondContact O-N 2.86Å; G487-C491 PolarHBondContact O-SG 2.8Å; G487-V513 WeakPolarHBondContact O-CG2 3.28Å
488A86.5Confident91.5Very high71 Ų7144 Ų4459%0.58724%0.239SC*.Hα-helixtrans-60.1-52.1176.600000112.7K486 A490 C491 D492K486-A488 VanDerWaalsContact C-N 3.34Å; K486-A488 PolarHBondContact O-N 3.44Å; K486-A488 VanDerWaalsContact O-N 3.07Å; A488-A490 VanDerWaalsContact C-N 3.25Å; A488-A490 PolarHBondContact O-N 2.69Å; A488-C491 CarbonylContact O-C 3.44Å; A488-C491 WeakPolarHBondContact O-CA 3.19Å; A488-C491 WeakPolarHBondContact O-CB 3.25Å; A488-C491 PolarHBondContact O-N 3.37Å; A488-D492 PolarHBondContact O-N 3.05Å
489V91.1Very high91.4Very high86 Ų8640.5 Ų40.552%0.52123%0.225SC..Hα-helixtrans-60-37.2179.2-174.70000111.5K486 D492 E493K486-V489 HydrophobicContact CB-CB 4.13Å; K486-V489 HydrophobicContact CB-CG2 4.31Å; K486-V489 PolarHBondContact O-N 2.77Å; V489-D492 PolarHBondContact O-N 3.01Å; V489-E493 PolarHBondContact O-N 3.33Å
490A91.7Very high91.1Very high3 Ų345.6 Ų45.63%0.02525%0.249CC..Hα-helixtrans-68.5-35.3175.600000112.5I482 F484 K486 G487 A488 V494 V513I482-A490 HydrophobicContact CD1-CB 3.96Å; I482-A490 WeakPolarHBondContact CD1-O 3.19Å; I482-A490 HydrophobicContact CG1-CB 4.02Å; F484-A490 HydrophobicContact CD1-CB 3.97Å; K486-A490 PolarHBondContact O-N 3.15Å; G487-A490 PolarHBondContact O-N 2.91Å; A488-A490 VanDerWaalsContact C-N 3.25Å; A488-A490 PolarHBondContact O-N 2.69Å; A490-V494 VanDerWaalsContact O-CG2 3.23Å; A490-V494 WeakPolarHBondContact O-CG2 3.38Å; A490-V494 PolarHBondContact O-N 3.15Å; A490-V513 HydrophobicContact CB-CG2 4.03Å
491C90.8Very high90.5Very high4 Ų447.3 Ų47.33%0.02726%0.255CS..Hα-helixtrans-66.8-45.2171.3-640000111.1G487 A488 E493 V494 N495 L510G487-C491 PolarHBondContact O-N 2.86Å; G487-C491 PolarHBondContact O-SG 2.8Å; A488-C491 CarbonylContact O-C 3.44Å; A488-C491 WeakPolarHBondContact O-CA 3.19Å; A488-C491 WeakPolarHBondContact O-CB 3.25Å; A488-C491 PolarHBondContact O-N 3.37Å; C491-E493 PolarHBondContact O-N 3.42Å; C491-V494 PolarHBondContact O-N 2.89Å; C491-N495 VanDerWaalsContact O-CB 3.27Å; C491-N495 WeakPolarHBondContact O-CB 3.28Å; C491-N495 PolarHBondContact O-N 3.42Å; C491-N495 PolarHBondContact O-ND2 3.36Å; C491-L510 WeakPolarHBondContact CB-O 3.46Å
492D90.7Very high89.8Confident101 Ų10144.9 Ų44.954%0.5424%0.242SC..Hα-helixtrans-60.2-45.2179.9-61.5-28000112A488 V489 V494 N495 K496A488-D492 PolarHBondContact O-N 3.05Å; V489-D492 PolarHBondContact O-N 3.01Å; D492-V494 PolarHBondContact O-N 3.03Å; D492-N495 PolarHBondContact O-N 3.06Å; D492-K496 WeakPolarHBondContact O-CB 3.21Å; D492-K496 PolarHBondContact O-N 2.97Å
493E93.5Very high89.1Confident92 Ų9248.3 Ų48.343%0.4326%0.261SS..Hα-helixtrans-64.9-38.1178.1-170.8-173.2144.800112.5I482 V489 C491 W497I482-E493 HydrophobicContact CD1-CB 4.07Å; I482-E493 HydrophobicContact CD1-CG 4.33Å; V489-E493 PolarHBondContact O-N 3.33Å; C491-E493 PolarHBondContact O-N 3.42Å; E493-W497 PolarHBondContact O-N 3.39Å
494V91.8Very high88.7Confident0 Ų050.9 Ų50.90%027%0.271CS..Hα-helixtrans-67.1-50.6174.3170.10000110.9Y456 I482 A490 C491 D492 W497 V498 I509 L510 V522Y456-V494 HydrophobicContact CD1-CG2 3.61Å; Y456-V494 HydrophobicContact CD2-CG2 3.96Å; Y456-V494 HydrophobicContact CE1-CB 4.48Å; Y456-V494 HydrophobicContact CE1-CG2 3.52Å; Y456-V494 HydrophobicContact CE2-CB 4.49Å; Y456-V494 HydrophobicContact CE2-CG1 4.31Å; Y456-V494 HydrophobicContact CE2-CG2 3.88Å; Y456-V494 HydrophobicContact CG-CG2 3.82Å; I482-V494 HydrophobicContact CD1-CG2 4.02Å; A490-V494 VanDerWaalsContact O-CG2 3.23Å; A490-V494 WeakPolarHBondContact O-CG2 3.38Å; A490-V494 PolarHBondContact O-N 3.15Å; C491-V494 PolarHBondContact O-N 2.89Å; D492-V494 PolarHBondContact O-N 3.03Å; V494-W497 PolarHBondContact O-N 3.32Å; V494-V498 WeakPolarHBondContact O-CG2 3.37Å; V494-V498 PolarHBondContact O-N 2.95Å; V494-V498 VanDerWaalsContact O-N 3.08Å; V494-I509 HydrophobicContact CG1-CG2 4.09Å; V494-L510 HydrophobicContact CB-CB 4.37Å; V494-L510 HydrophobicContact CB-CD2 3.85Å; V494-L510 HydrophobicContact CG1-CB 3.85Å; V494-L510 HydrophobicContact CG1-CD2 3.9Å; V494-L510 HydrophobicContact CG2-CD2 3.73Å; V494-V522 HydrophobicContact CG1-CG1 4.35Å; V494-V522 HydrophobicContact CG1-CG2 3.86Å
495N92.7Very high88.3Confident13 Ų1354.2 Ų54.27%0.0729%0.286CS..Hα-helixtrans-63.3-44.5-177.5-71.4-32.8000111.5C491 D492 W497 V498 S499 R508 I509 L510C491-N495 VanDerWaalsContact O-CB 3.27Å; C491-N495 WeakPolarHBondContact O-CB 3.28Å; C491-N495 PolarHBondContact O-N 3.42Å; C491-N495 PolarHBondContact O-ND2 3.36Å; D492-N495 PolarHBondContact O-N 3.06Å; N495-W497 PolarHBondContact O-N 3.33Å; N495-V498 PolarHBondContact O-N 2.9Å; N495-S499 WeakPolarHBondContact O-CB 3.15Å; N495-S499 PolarHBondContact O-N 3.39Å; N495-R508 WeakPolarHBondContact OD1-CA 3.03Å; N495-I509 PolarHBondContact OD1-N 3.16Å; N495-L510 PolarHBondContact ND2-O 3.22Å; N495-L510 PolarHBondContact OD1-N 3.09Å; N495-L510 PolarHBondContact OD1-O 3.08Å
496K92.8Very high87.9Confident80 Ų8050.1 Ų50.135%0.34826%0.261SS..Hα-helixtrans-57-51.2175.9178.8170.4-172.41620111.8D492 V498 S499 E500 D837D492-K496 WeakPolarHBondContact O-CB 3.21Å; D492-K496 PolarHBondContact O-N 2.97Å; K496-V498 VanDerWaalsContact C-N 3.33Å; K496-V498 PolarHBondContact O-N 2.97Å; K496-S499 WeakPolarHBondContact O-CB 3.37Å; K496-S499 PolarHBondContact O-N 2.85Å; K496-E500 WeakPolarHBondContact CE-OE1 3.34Å; K496-E500 HydrophobicContact CG-CG 4.46Å; K496-E500 WeakPolarHBondContact O-CG 3.46Å; K496-E500 PolarHBondContact O-N 3.02Å; K496-D837 WeakPolarHBondContact CE-OD2 2.97Å; K496-D837 IonicContact NZ-OD1 2.69Å; K496-D837 PolarHBondContact NZ-OD1 2.97Å; K496-D837 IonicContact NZ-OD2 2.67Å; K496-D837 PolarHBondContact NZ-OD2 3.38Å
497W93Very high87.7Confident26 Ų2648 Ų4810%0.09826%0.257CS..Hα-helixtrans-62.6-40.9-179.517775.6000112.2A452 R454 Y456 E493 V494 N495 S499 E500 Q501 V522A452-W497 HydrophobicContact CB-CH2 3.87Å; A452-W497 HydrophobicContact CB-CZ3 3.83Å; R454-W497 HydrophobicContact CB-CE3 4.15Å; R454-W497 HydrophobicContact CB-CH2 3.36Å; R454-W497 HydrophobicContact CB-CZ2 3.99Å; R454-W497 HydrophobicContact CB-CZ3 3.45Å; R454-W497 VanDerWaalsContact CB-CZ3 3.45Å; R454-W497 HydrophobicContact CG-CH2 4.39Å; R454-W497 HydrophobicContact CG-CZ3 4.45Å; R454-W497 VanDerWaalsContact NH1-CD1 3.26Å; Y456-W497 HydrophobicContact CE2-CE3 4.37Å; Y456-W497 WeakPolarHBondContact OH-CB 3.44Å; E493-W497 PolarHBondContact O-N 3.39Å; V494-W497 PolarHBondContact O-N 3.32Å; N495-W497 PolarHBondContact O-N 3.33Å; W497-S499 VanDerWaalsContact C-N 3.34Å; W497-S499 PolarHBondContact O-N 3.45Å; W497-E500 PolarHBondContact O-N 3.24Å; W497-Q501 HydrophobicContact CD2-CG 3.99Å; W497-Q501 VanDerWaalsContact CE2-CG 3.43Å; W497-Q501 HydrophobicContact CG-CG 4.48Å; W497-Q501 HydrophobicContact CH2-CG 4.08Å; W497-Q501 HydrophobicContact CZ2-CG 3.52Å; W497-Q501 WeakPolarHBondContact O-CG 3.48Å; W497-Q501 PolarHBondContact O-N 2.93Å; W497-V522 HydrophobicContact CZ3-CG1 4.45Å
498V88.6Confident87.5Confident0 Ų052.3 Ų52.30%027%0.269CS..Hα-helixtrans-64.2-40.3175.7173.30000111.6V494 N495 K496 Q501 T502 I506 I509 V522 A524V494-V498 WeakPolarHBondContact O-CG2 3.37Å; V494-V498 PolarHBondContact O-N 2.95Å; V494-V498 VanDerWaalsContact O-N 3.08Å; N495-V498 PolarHBondContact O-N 2.9Å; K496-V498 VanDerWaalsContact C-N 3.33Å; K496-V498 PolarHBondContact O-N 2.97Å; V498-Q501 PolarHBondContact O-N 3.08Å; V498-T502 HydrophobicContact CG1-CG2 4.35Å; V498-T502 WeakPolarHBondContact O-CB 3.42Å; V498-T502 WeakPolarHBondContact O-CG2 3.44Å; V498-T502 PolarHBondContact O-N 3.05Å; V498-T502 PolarHBondContact O-OG1 3.45Å; V498-I506 HydrophobicContact CG1-CB 4.17Å; V498-I506 HydrophobicContact CG1-CG2 3.85Å; V498-I509 HydrophobicContact CB-CG2 4.38Å; V498-I509 HydrophobicContact CG1-CG2 4.4Å; V498-I509 HydrophobicContact CG2-CG2 4.03Å; V498-V522 HydrophobicContact CG2-CG1 3.42Å; V498-V522 VanDerWaalsContact CG2-CG1 3.42Å; V498-A524 HydrophobicContact CG1-CB 3.42Å; V498-A524 VanDerWaalsContact CG1-CB 3.42Å
499S87Confident87.5Confident21 Ų2149 Ų4915%0.14724%0.241CC..Hα-helixtrans-58.6-51.6173.3-165.70000111.3N495 K496 W497 Q501 T502 N503 E504 I506N495-S499 WeakPolarHBondContact O-CB 3.15Å; N495-S499 PolarHBondContact O-N 3.39Å; K496-S499 WeakPolarHBondContact O-CB 3.37Å; K496-S499 PolarHBondContact O-N 2.85Å; W497-S499 VanDerWaalsContact C-N 3.34Å; W497-S499 PolarHBondContact O-N 3.45Å; S499-Q501 PolarHBondContact O-N 3.19Å; S499-T502 CarbonylContact O-C 3.5Å; S499-T502 PolarHBondContact O-N 3.17Å; S499-T502 PolarHBondContact O-OG1 3.11Å; S499-N503 PolarHBondContact O-N 3.13Å; S499-N503 VanDerWaalsContact O-N 3.16Å; S499-E504 PolarHBondContact O-N 2.83Å; S499-I506 WeakPolarHBondContact CA-O 3.4Å; S499-I506 PolarHBondContact N-O 2.9Å
500E88.1Confident87.2Confident108 Ų10845.3 Ų45.351%0.50522%0.218SC..Hα-helixtrans-58.2-44.7177.6-71.8172.2179.400112.5K496 W497K496-E500 WeakPolarHBondContact CE-OE1 3.34Å; K496-E500 HydrophobicContact CG-CG 4.46Å; K496-E500 WeakPolarHBondContact O-CG 3.46Å; K496-E500 PolarHBondContact O-N 3.02Å; W497-E500 PolarHBondContact O-N 3.24Å
501Q83.3Confident86.6Confident69 Ų6949 Ų4932%0.32224%0.238SC..Hα-helixtrans-66.5-38.9177.8-67.7-41.3-57.700112.5K450 A452 W497 V498 S499 N503K450-Q501 WeakPolarHBondContact CB-O 3.39Å; K450-Q501 WeakPolarHBondContact CD-O 3.47Å; K450-Q501 VanDerWaalsContact CG-O 3.27Å; K450-Q501 WeakPolarHBondContact CG-O 3.36Å; K450-Q501 PolarHBondContact NZ-O 3.33Å; A452-Q501 HydrophobicContact CB-CB 3.58Å; A452-Q501 HydrophobicContact CB-CG 4.04Å; W497-Q501 HydrophobicContact CD2-CG 3.99Å; W497-Q501 VanDerWaalsContact CE2-CG 3.43Å; W497-Q501 HydrophobicContact CG-CG 4.48Å; W497-Q501 HydrophobicContact CH2-CG 4.08Å; W497-Q501 HydrophobicContact CZ2-CG 3.52Å; W497-Q501 WeakPolarHBondContact O-CG 3.48Å; W497-Q501 PolarHBondContact O-N 2.93Å; V498-Q501 PolarHBondContact O-N 3.08Å; S499-Q501 PolarHBondContact O-N 3.19Å; Q501-N503 PolarHBondContact O-N 2.75Å
502T79.5Confident86.2Confident0 Ų056 Ų560%027%0.273CS..THydrogen-bonded Turntrans-89.412.1-175.762.40000114.9A452 V498 S499 K505 I506 A524A452-T502 HydrophobicContact CB-CG2 4.34Å; V498-T502 HydrophobicContact CG1-CG2 4.35Å; V498-T502 WeakPolarHBondContact O-CB 3.42Å; V498-T502 WeakPolarHBondContact O-CG2 3.44Å; V498-T502 PolarHBondContact O-N 3.05Å; V498-T502 PolarHBondContact O-OG1 3.45Å; S499-T502 CarbonylContact O-C 3.5Å; S499-T502 PolarHBondContact O-N 3.17Å; S499-T502 PolarHBondContact O-OG1 3.11Å; T502-K505 WeakPolarHBondContact O-CB 3.22Å; T502-K505 PolarHBondContact O-N 3.24Å; T502-I506 HydrophobicContact CG2-CB 4.15Å; T502-I506 HydrophobicContact CG2-CD1 4.28Å; T502-I506 HydrophobicContact CG2-CG1 4.37Å; T502-I506 PolarHBondContact OG1-N 2.81Å; T502-A524 HydrophobicContact CG2-CB 4.08Å
503N80.5Confident85.9Confident74 Ų7452 Ų5240%0.39625%0.253SS..THydrogen-bonded Turntrans57.745.8-176.1-56.2-18.6000112.8K450 S499 Q501 K505K450-N503 VanDerWaalsContact CE-OD1 3.22Å; K450-N503 WeakPolarHBondContact CE-OD1 3.06Å; K450-N503 PolarHBondContact NZ-OD1 2.87Å; S499-N503 PolarHBondContact O-N 3.13Å; S499-N503 VanDerWaalsContact O-N 3.16Å; Q501-N503 PolarHBondContact O-N 2.75Å; N503-K505 PolarHBondContact O-N 3.13Å; N503-K505 VanDerWaalsContact O-N 3.15Å
504E84.5Confident85.1Confident97 Ų9749.2 Ų49.245%0.45325%0.248SC..THydrogen-bonded Turntrans64.411.9179.9-54.9175.3-17900114.4S499 T507S499-E504 PolarHBondContact O-N 2.83Å; E504-T507 VanDerWaalsContact O-CG2 3.28Å; E504-T507 WeakPolarHBondContact O-CG2 3.28Å
505K83.5Confident84.5Confident71 Ų7155.3 Ų55.331%0.30928%0.281SS..SBendtrans-89.4-20.2-177.8-66.4-82174.6174.80114.7T502 N503 Y526 F676 E685T502-K505 WeakPolarHBondContact O-CB 3.22Å; T502-K505 PolarHBondContact O-N 3.24Å; N503-K505 PolarHBondContact O-N 3.13Å; N503-K505 VanDerWaalsContact O-N 3.15Å; K505-Y526 HydrophobicContact CB-CD2 3.53Å; K505-Y526 HydrophobicContact CB-CE2 3.84Å; K505-Y526 HydrophobicContact CB-CG 4.11Å; K505-Y526 HydrophobicContact CD-CD2 4.34Å; K505-Y526 HydrophobicContact CD-CE2 3.78Å; K505-Y526 HydrophobicContact CG-CD2 3.7Å; K505-Y526 HydrophobicContact CG-CE2 3.43Å; K505-Y526 VanDerWaalsContact CG-CE2 3.43Å; K505-Y526 HydrophobicContact CG-CG 4.37Å; K505-F676 HydrophobicContact CB-CD1 4.45Å; K505-F676 HydrophobicContact CB-CG 4.48Å; K505-F676 HydrophobicContact CD-CD1 4.5Å; K505-F676 HydrophobicContact CD-CE1 4.04Å; K505-F676 HydrophobicContact CD-CZ 4.21Å; K505-F676 WeakPolarHBondContact O-CD2 3.27Å; K505-E685 WeakPolarHBondContact CE-OE2 3.44Å; K505-E685 IonicContact NZ-OE1 2.69Å; K505-E685 PolarHBondContact NZ-OE1 2.93Å; K505-E685 IonicContact NZ-OE2 2.73Å; K505-E685 PolarHBondContact NZ-OE2 2.95Å
506I79.5Confident84.2Confident0 Ų059.3 Ų59.30%031%0.31CS..SBendtrans-125.385168.6-59.2179.5000107V498 S499 T502 R508 A524 V525 K674 F676V498-I506 HydrophobicContact CG1-CB 4.17Å; V498-I506 HydrophobicContact CG1-CG2 3.85Å; S499-I506 WeakPolarHBondContact CA-O 3.4Å; S499-I506 PolarHBondContact N-O 2.9Å; T502-I506 HydrophobicContact CG2-CB 4.15Å; T502-I506 HydrophobicContact CG2-CD1 4.28Å; T502-I506 HydrophobicContact CG2-CG1 4.37Å; T502-I506 PolarHBondContact OG1-N 2.81Å; I506-R508 VanDerWaalsContact C-N 3.32Å; I506-R508 PolarHBondContact O-N 3.27Å; I506-A524 HydrophobicContact CD1-CB 3.97Å; I506-A524 HydrophobicContact CG2-CB 4.28Å; I506-V525 WeakPolarHBondContact CD1-O 3.45Å; I506-K674 HydrophobicContact CD1-CB 4.48Å; I506-K674 HydrophobicContact CD1-CG 4.26Å; I506-K674 HydrophobicContact CG2-CB 4.27Å; I506-K674 HydrophobicContact CG2-CD 3.61Å; I506-K674 HydrophobicContact CG2-CG 3.87Å; I506-F676 HydrophobicContact CD1-CB 3.98Å; I506-F676 HydrophobicContact CG1-CB 3.84Å
507T85.6Confident84.2Confident74 Ų7456.1 Ų56.145%0.45430%0.297SS..  trans-75.7-19.7-174.255.60000113.9E504E504-T507 VanDerWaalsContact O-CG2 3.28Å; E504-T507 WeakPolarHBondContact O-CG2 3.28Å
508R82.4Confident84.3Confident109 Ų10955.6 Ų55.641%0.41130%0.296SS..  trans-151.2131.1-170.3-165.5162.31711431110.7N495 I506 D511 K674N495-R508 WeakPolarHBondContact OD1-CA 3.03Å; I506-R508 VanDerWaalsContact C-N 3.32Å; I506-R508 PolarHBondContact O-N 3.27Å; R508-D511 IonicContact CZ-OD1 2.9Å; R508-D511 IonicContact NE-OD1 2.67Å; R508-D511 PolarHBondContact NE-OD1 3.29Å; R508-D511 IonicContact NH2-OD1 3.54Å; R508-D511 PolarHBondContact NH2-OD1 3.35Å; R508-K674 WeakPolarHBondContact O-CD 3.5Å; R508-K674 PolarHBondContact O-NZ 2.99Å
509I85.9Confident84.6Confident1 Ų155.6 Ų55.61%0.00530%0.296CS..SBendtrans-141.3-25.3178.8-167.2171.3000112.8V494 N495 V498 V522 A524 Q634 L672 K674V494-I509 HydrophobicContact CG1-CG2 4.09Å; N495-I509 PolarHBondContact OD1-N 3.16Å; V498-I509 HydrophobicContact CB-CG2 4.38Å; V498-I509 HydrophobicContact CG1-CG2 4.4Å; V498-I509 HydrophobicContact CG2-CG2 4.03Å; I509-V522 HydrophobicContact CD1-CG1 4.37Å; I509-V522 HydrophobicContact CG2-CG1 4.26Å; I509-A524 HydrophobicContact CD1-CB 4.28Å; I509-Q634 PolarHBondContact O-NE2 2.79Å; I509-L672 HydrophobicContact CD1-CB 4.16Å; I509-L672 HydrophobicContact CG1-CB 4.14Å; I509-K674 HydrophobicContact CB-CD 4.26Å; I509-K674 HydrophobicContact CD1-CB 3.5Å; I509-K674 HydrophobicContact CG1-CB 3.89Å; I509-K674 HydrophobicContact CG1-CD 4.1Å
510L85.3Confident85Confident9 Ų954.7 Ų54.75%0.04729%0.29CS..  trans-120.7111.4-179.4-176.168.2000109C491 V494 N495 V513 L672C491-L510 WeakPolarHBondContact CB-O 3.46Å; V494-L510 HydrophobicContact CB-CB 4.37Å; V494-L510 HydrophobicContact CB-CD2 3.85Å; V494-L510 HydrophobicContact CG1-CB 3.85Å; V494-L510 HydrophobicContact CG1-CD2 3.9Å; V494-L510 HydrophobicContact CG2-CD2 3.73Å; N495-L510 PolarHBondContact ND2-O 3.22Å; N495-L510 PolarHBondContact OD1-N 3.09Å; N495-L510 PolarHBondContact OD1-O 3.08Å; L510-V513 HydrophobicContact CD1-CG1 3.63Å; L510-V513 HydrophobicContact CD2-CG1 3.75Å; L510-V513 HydrophobicContact CG-CG1 3.94Å; L510-L672 HydrophobicContact CB-CD1 4.17Å; L510-L672 HydrophobicContact CD1-CD1 3.45Å; L510-L672 VanDerWaalsContact CD1-CD1 3.45Å; L510-L672 HydrophobicContact CG-CD1 4.4Å
511D80.5Confident85.3Confident81 Ų8149.5 Ų49.543%0.43327%0.266SS..  trans-94.6-40.8-175.4-74.8-70.1000113.9R508R508-D511 IonicContact CZ-OD1 2.9Å; R508-D511 IonicContact NE-OD1 2.67Å; R508-D511 PolarHBondContact NE-OD1 3.29Å; R508-D511 IonicContact NH2-OD1 3.54Å; R508-D511 PolarHBondContact NH2-OD1 3.35Å
512I81.1Confident85.7Confident150 Ų15046.2 Ų46.277%0.76925%0.251SS*.  trans-142.6135.9-177-64.5-178.9000109.3
513V84.4Confident86.1Confident18 Ų1846.3 Ų46.311%0.10925%0.251CS..  trans-135.5154.9162.9-64.30000108.8F484 G487 A490 L510 T517F484-V513 HydrophobicContact CB-CG2 4.49Å; F484-V513 HydrophobicContact CD1-CB 4.06Å; F484-V513 HydrophobicContact CD1-CG1 4.17Å; F484-V513 HydrophobicContact CD1-CG2 3.75Å; F484-V513 HydrophobicContact CE1-CG1 4.25Å; G487-V513 WeakPolarHBondContact O-CG2 3.28Å; A490-V513 HydrophobicContact CB-CG2 4.03Å; L510-V513 HydrophobicContact CD1-CG1 3.63Å; L510-V513 HydrophobicContact CD2-CG1 3.75Å; L510-V513 HydrophobicContact CG-CG1 3.94Å; V513-T517 HydrophobicContact CB-CG2 4.36Å; V513-T517 HydrophobicContact CG1-CG2 4.19Å
514G76.5Confident86.3Confident32 Ų3242.8 Ų42.833%0.3323%0.232SC..  trans-134.7178.5173.700000112.2S516 T517G514-S516 PolarHBondContact O-N 2.81Å; G514-T517 PolarHBondContact N-OG1 3.22Å; G514-T517 WeakPolarHBondContact O-CB 3.11Å; G514-T517 PolarHBondContact O-N 3.5Å; G514-T517 PolarHBondContact O-OG1 3.16Å
515D79.4Confident86.2Confident128 Ų12838.2 Ų38.268%0.68421%0.211SC*.THydrogen-bonded Turntrans-56.1-23.7-170.4-54.5-6000115.3T517D515-T517 VanDerWaalsContact C-N 3.27Å; D515-T517 PolarHBondContact O-N 3.06Å
516S87.2Confident86.1Confident97 Ų9735.1 Ų35.168%0.67820%0.197SC*.THydrogen-bonded Turntrans-78-5.9175.153.80000114.3G514 T518G514-S516 PolarHBondContact O-N 2.81Å; S516-T518 PolarHBondContact O-N 3.24Å
517T92.5Very high86.1Confident13 Ų1335.1 Ų35.18%0.0820%0.197CC..  trans-73.7119.4178.4-44.50000109.3F484 V513 G514 D515 V520F484-T517 HydrophobicContact CD1-CG2 4.01Å; F484-T517 HydrophobicContact CD2-CG2 3.8Å; F484-T517 WeakPolarHBondContact CD2-O 3.2Å; F484-T517 HydrophobicContact CE1-CG2 4Å; F484-T517 HydrophobicContact CE2-CG2 3.79Å; F484-T517 HydrophobicContact CG-CG2 3.91Å; F484-T517 HydrophobicContact CZ-CG2 3.89Å; V513-T517 HydrophobicContact CB-CG2 4.36Å; V513-T517 HydrophobicContact CG1-CG2 4.19Å; G514-T517 PolarHBondContact N-OG1 3.22Å; G514-T517 WeakPolarHBondContact O-CB 3.11Å; G514-T517 PolarHBondContact O-N 3.5Å; G514-T517 PolarHBondContact O-OG1 3.16Å; D515-T517 VanDerWaalsContact C-N 3.27Å; D515-T517 PolarHBondContact O-N 3.06Å; T517-V520 HydrophobicContact CG2-CG2 3.52Å
518T94.4Very high85.9Confident15 Ų1533.7 Ų33.79%0.09219%0.185CC..  trans-109.9-37.9-176.252.80000112.2S458 F461 S516 F667 S669S458-T518 WeakPolarHBondContact CB-O 3.26Å; S458-T518 PolarHBondContact N-O 2.84Å; F461-T518 HydrophobicContact CE2-CG2 3.74Å; F461-T518 HydrophobicContact CZ-CG2 4.08Å; S516-T518 PolarHBondContact O-N 3.24Å; T518-F667 HydrophobicContact CG2-CD1 4.06Å; T518-F667 HydrophobicContact CG2-CE1 3.51Å; T518-F667 HydrophobicContact CG2-CZ 4.19Å; T518-F667 WeakPolarHBondContact OG1-CD1 3.31Å; T518-F667 WeakPolarHBondContact OG1-CE1 3.48Å; T518-F667 PolarHBondContact OG1-O 2.9Å; T518-S669 PolarHBondContact N-OG 2.67Å; T518-S669 PolarHBondContact OG1-OG 3.45Å
519L95.7Very high85.8Confident0 Ų028.5 Ų28.50%017%0.165CC..EExtended strand (participates in β ladder)trans-152.9132.9174.6-173.6166.3000111.5L400 L455 Y456 V457 V521 L657 L666 F667 V668 S669L400-L519 HydrophobicContact CD2-CD2 4.23Å; L455-L519 HydrophobicContact CD2-CD1 4.32Å; L455-L519 HydrophobicContact CD2-CD2 3.45Å; L455-L519 VanDerWaalsContact CD2-CD2 3.45Å; L455-L519 HydrophobicContact CD2-CG 4.17Å; Y456-L519 CarbonylContact O-C 3.56Å; Y456-L519 VanDerWaalsContact O-CA 3.29Å; Y456-L519 WeakPolarHBondContact O-CA 3.2Å; V457-L519 HydrophobicContact CG2-CD1 4.11Å; V457-L519 HydrophobicContact CG2-CG 4.07Å; L519-V521 HydrophobicContact CD2-CG2 3.82Å; L519-L657 HydrophobicContact CD1-CD1 4.01Å; L519-L666 HydrophobicContact CB-CD1 4.01Å; L519-L666 HydrophobicContact CD1-CD1 4.32Å; L519-L666 HydrophobicContact CD1-CG 4.45Å; L519-F667 VanDerWaalsContact CB-O 3.29Å; L519-F667 WeakPolarHBondContact CB-O 3.34Å; L519-V668 HydrophobicContact CD2-CG1 4.46Å; L519-V668 HydrophobicContact CD2-CG2 3.91Å; L519-S669 PolarHBondContact N-OG 3.19Å; L519-S669 WeakPolarHBondContact O-CB 3.4Å; L519-S669 PolarHBondContact O-N 2.75Å
520V94.5Very high85.8Confident2 Ų228.5 Ų28.51%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-118.8130.6171.8-177.40000109.8Y456 F484 T517 V522 L672Y456-V520 PolarHBondContact N-O 3.39Å; Y456-V520 PolarHBondContact O-N 2.56Å; F484-V520 HydrophobicContact CE1-CG2 4.09Å; F484-V520 HydrophobicContact CZ-CB 4.24Å; F484-V520 HydrophobicContact CZ-CG2 3.75Å; T517-V520 HydrophobicContact CG2-CG2 3.52Å; V520-V522 HydrophobicContact CG1-CG2 4.01Å; V520-L672 HydrophobicContact CG1-CD1 3.9Å; V520-L672 HydrophobicContact CG1-CG 4.25Å
521V94.6Very high85.9Confident0 Ų028.3 Ų28.30%016%0.164CC..EExtended strand (participates in β ladder)trans-93.2124.5170.9-1630000108.7A396 M399 L400 L455 L519 V668 N670 V671 L672A396-V521 HydrophobicContact CB-CG1 4.04Å; M399-V521 HydrophobicContact CE-CG1 3.65Å; L400-V521 HydrophobicContact CD1-CG2 3.96Å; L400-V521 HydrophobicContact CD2-CG2 3.74Å; L400-V521 HydrophobicContact CG-CG2 3.97Å; L455-V521 HydrophobicContact CD2-CB 4.23Å; L455-V521 HydrophobicContact CD2-CG1 4.13Å; L455-V521 HydrophobicContact CD2-CG2 3.73Å; L519-V521 HydrophobicContact CD2-CG2 3.82Å; V521-V668 HydrophobicContact CG2-CG1 4.06Å; V521-V668 HydrophobicContact CG2-CG2 4.46Å; V521-N670 PolarHBondContact N-O 2.89Å; V521-V671 HydrophobicContact CB-CB 4.43Å; V521-V671 HydrophobicContact CB-CG1 4.27Å; V521-V671 HydrophobicContact CB-CG2 4.16Å; V521-V671 HydrophobicContact CG2-CG2 3.85Å; V521-L672 PolarHBondContact O-N 2.86Å
522V92.2Very high86.2Confident0 Ų026.3 Ų26.30%015%0.153CC..EExtended strand (participates in β ladder)trans-114.5125.2-178.2178.20000109.2N453 R454 Y456 V494 W497 V498 I509 V520N453-V522 WeakPolarHBondContact CA-O 3.37Å; R454-V522 PolarHBondContact N-O 2.76Å; R454-V522 VanDerWaalsContact N-O 3.07Å; R454-V522 PolarHBondContact O-N 2.72Å; Y456-V522 HydrophobicContact CD2-CB 4.25Å; Y456-V522 HydrophobicContact CD2-CG2 3.65Å; Y456-V522 HydrophobicContact CE2-CB 4.21Å; Y456-V522 HydrophobicContact CE2-CG2 3.91Å; V494-V522 HydrophobicContact CG1-CG1 4.35Å; V494-V522 HydrophobicContact CG1-CG2 3.86Å; W497-V522 HydrophobicContact CZ3-CG1 4.45Å; V498-V522 HydrophobicContact CG2-CG1 3.42Å; V498-V522 VanDerWaalsContact CG2-CG1 3.42Å; I509-V522 HydrophobicContact CD1-CG1 4.37Å; I509-V522 HydrophobicContact CG2-CG1 4.26Å; V520-V522 HydrophobicContact CG1-CG2 4.01Å
523N88.4Confident86.4Confident2 Ų220.6 Ų20.61%0.01112%0.124CC..EExtended strand (participates in β ladder)trans-143.688.7-174.2-179.6-117.8000111.7S392 V393 A396 A452 N453 L672 H673 K674S392-N523 PolarHBondContact O-ND2 3.36Å; S392-N523 VanDerWaalsContact O-ND2 3.08Å; S392-N523 PolarHBondContact O-OD1 3.1Å; S392-N523 PolarHBondContact OG-ND2 2.97Å; S392-N523 PolarHBondContact OG-OD1 3.44Å; V393-N523 PolarHBondContact N-OD1 3.13Å; A396-N523 HydrophobicContact CB-CB 3.68Å; A452-N523 WeakPolarHBondContact O-CA 3.28Å; N453-N523 VanDerWaalsContact CG-ND2 3.34Å; N453-N523 PolarHBondContact ND2-ND2 3.49Å; N453-N523 PolarHBondContact OD1-ND2 3.34Å; N523-L672 PolarHBondContact N-O 3.39Å; N523-H673 VanDerWaalsContact O-CA 3.32Å; N523-H673 WeakPolarHBondContact O-CA 3.4Å; N523-H673 PolarHBondContact O-ND1 2.81Å; N523-H673 PolarHBondContact OD1-CE1 2.93Å; N523-H673 PolarHBondContact OD1-ND1 3.1Å; N523-K674 PolarHBondContact O-N 3.25Å
524A84.2Confident86.6Confident0 Ų022.6 Ų22.60%013%0.132CC..EExtended strand (participates in β ladder)trans-105.8142.4177.300000112.1A452 V498 T502 I506 I509 K674A452-A524 HydrophobicContact CB-CB 4.12Å; A452-A524 PolarHBondContact N-O 3.48Å; A452-A524 PolarHBondContact O-N 3.17Å; V498-A524 HydrophobicContact CG1-CB 3.42Å; V498-A524 VanDerWaalsContact CG1-CB 3.42Å; T502-A524 HydrophobicContact CG2-CB 4.08Å; I506-A524 HydrophobicContact CD1-CB 3.97Å; I506-A524 HydrophobicContact CG2-CB 4.28Å; I509-A524 HydrophobicContact CD1-CB 4.28Å; A524-K674 CarbonylContact C-O 3.57Å; A524-K674 VanDerWaalsContact CA-O 3.3Å; A524-K674 WeakPolarHBondContact CA-O 3.48Å
525V82.5Confident87.2Confident0 Ų021.6 Ų21.60%012%0.119CC..EExtended strand (participates in β ladder)trans-133.2130.2177.2139.40000112.1S392 W449 K450 L451 I506 K674 T675 F676 F728S392-V525 VanDerWaalsContact OG-CG2 3.24Å; S392-V525 WeakPolarHBondContact OG-CG2 3.42Å; W449-V525 HydrophobicContact CZ3-CG1 3.93Å; K450-V525 WeakPolarHBondContact O-CA 3.34Å; L451-V525 HydrophobicContact CB-CG2 4.05Å; L451-V525 HydrophobicContact CD1-CG2 3.61Å; L451-V525 HydrophobicContact CG-CG2 3.77Å; I506-V525 WeakPolarHBondContact CD1-O 3.45Å; V525-K674 PolarHBondContact N-O 2.84Å; V525-T675 HydrophobicContact CG1-CG2 4.35Å; V525-T675 WeakPolarHBondContact O-CA 3.24Å; V525-F676 PolarHBondContact O-N 2.8Å; V525-F676 VanDerWaalsContact O-N 3.11Å; V525-F728 HydrophobicContact CG1-CE1 3.6Å; V525-F728 HydrophobicContact CG1-CE2 4.19Å; V525-F728 HydrophobicContact CG1-CZ 3.34Å
526Y81Confident87.4Confident7 Ų723.3 Ų23.33%0.02712%0.117CC..EExtended strand (participates in β ladder)trans-122.1136.7171.2164.2-98.7000109.3V448 K450 K505 K528 F676 E685V448-Y526 HydrophobicContact CG1-CE1 4.15Å; K450-Y526 HydrophobicContact CB-CD1 4.12Å; K450-Y526 HydrophobicContact CG-CD1 4.2Å; K450-Y526 PolarHBondContact N-O 2.9Å; K450-Y526 PolarHBondContact O-N 2.75Å; K505-Y526 HydrophobicContact CB-CD2 3.53Å; K505-Y526 HydrophobicContact CB-CE2 3.84Å; K505-Y526 HydrophobicContact CB-CG 4.11Å; K505-Y526 HydrophobicContact CD-CD2 4.34Å; K505-Y526 HydrophobicContact CD-CE2 3.78Å; K505-Y526 HydrophobicContact CG-CD2 3.7Å; K505-Y526 HydrophobicContact CG-CE2 3.43Å; K505-Y526 VanDerWaalsContact CG-CE2 3.43Å; K505-Y526 HydrophobicContact CG-CG 4.37Å; Y526-K528 HydrophobicContact CE1-CB 4.05Å; Y526-K528 WeakPolarHBondContact OH-CD 3.19Å; Y526-F676 HydrophobicContact CD2-CB 4.5Å; Y526-F676 AromaticContact CD2-CD1 3.8Å; Y526-F676 HydrophobicContact CD2-CD1 3.8Å; Y526-F676 HydrophobicContact CD2-CG 4.47Å; Y526-F676 HydrophobicContact CE2-CD1 4.05Å; Y526-F676 HydrophobicContact CE2-CE1 4.36Å; Y526-E685 HydrophobicContact CE2-CB 4.28Å; Y526-E685 HydrophobicContact CE2-CG 3.72Å; Y526-E685 WeakPolarHBondContact CE2-OE2 3.29Å; Y526-E685 PolarHBondContact OH-OE2 3.46Å
527F80Confident87.2Confident0 Ų023.4 Ų23.40%011%0.107CC..EExtended strand (participates in β ladder)trans-132.9141.4177.2165.3-109.4000111.5I447 W449 Y580 L585 T684 I718 F728I447-F527 HydrophobicContact CG2-CE2 4.05Å; W449-F527 AromaticContact CD1-CD2 3.91Å; W449-F527 HydrophobicContact CD2-CB 4.45Å; W449-F527 AromaticContact CD2-CD2 3.94Å; W449-F527 HydrophobicContact CD2-CD2 3.94Å; W449-F527 AromaticContact CE2-CD2 3.27Å; W449-F527 AromaticContact CE2-CE2 3.87Å; W449-F527 HydrophobicContact CE3-CB 4.42Å; W449-F527 HydrophobicContact CG-CD2 4.27Å; W449-F527 HydrophobicContact CH2-CB 4.02Å; W449-F527 HydrophobicContact CH2-CD2 4.3Å; W449-F527 HydrophobicContact CH2-CG 4.24Å; W449-F527 HydrophobicContact CZ2-CB 4.03Å; W449-F527 AromaticContact CZ2-CD2 3.46Å; W449-F527 HydrophobicContact CZ2-CD2 3.46Å; W449-F527 VanDerWaalsContact CZ2-CD2 3.46Å; W449-F527 HydrophobicContact CZ2-CE2 4.06Å; W449-F527 AromaticContact CZ2-CG 3.77Å; W449-F527 HydrophobicContact CZ2-CG 3.77Å; W449-F527 HydrophobicContact CZ3-CB 4.23Å; W449-F527 AromaticContact NE1-CD2 3.3Å; W449-F527 VanDerWaalsContact NE1-CD2 3.3Å; W449-F527 AromaticContact NE1-CE2 3.49Å; F527-Y580 AromaticContact CE1-CE1 3.94Å; F527-Y580 HydrophobicContact CE1-CE1 3.94Å; F527-Y580 HydrophobicContact CE1-CE2 4.26Å; F527-Y580 AromaticContact CE1-CZ 3.66Å; F527-Y580 HydrophobicContact CZ-CD1 4.3Å; F527-Y580 AromaticContact CZ-CE1 3.93Å; F527-Y580 HydrophobicContact CZ-CE1 3.93Å; F527-Y580 HydrophobicContact CZ-CE2 4.16Å; F527-Y580 AromaticContact CZ-CZ 3.86Å; F527-L585 HydrophobicContact CE2-CD1 4.31Å; F527-T684 HydrophobicContact CD1-CG2 3.88Å; F527-T684 HydrophobicContact CE1-CG2 4.12Å; F527-I718 HydrophobicContact CD1-CD1 3.86Å; F527-I718 HydrophobicContact CE1-CD1 3.86Å; F527-I718 HydrophobicContact CE1-CG2 4.26Å; F527-I718 HydrophobicContact CZ-CG2 4.47Å; F527-F728 HydrophobicContact CB-CE2 3.41Å; F527-F728 VanDerWaalsContact CB-CE2 3.41Å; F527-F728 HydrophobicContact CB-CZ 3.68Å; F527-F728 HydrophobicContact CD1-CE2 4.09Å; F527-F728 AromaticContact CG-CE2 3.94Å; F527-F728 HydrophobicContact CG-CE2 3.94Å
528K80.9Confident86.6Confident43 Ų4325.6 Ų25.619%0.18713%0.132CC..EExtended strand (participates in β ladder)trans-140.7133.8174.5164.7177.3-172.81210109.9I447 V448 Y526 T684 E685I447-K528 WeakPolarHBondContact CA-O 3.41Å; V448-K528 HydrophobicContact CB-CB 4.17Å; V448-K528 HydrophobicContact CB-CD 4.38Å; V448-K528 HydrophobicContact CG2-CD 4.35Å; V448-K528 PolarHBondContact N-O 2.88Å; V448-K528 PolarHBondContact O-N 3.47Å; Y526-K528 HydrophobicContact CE1-CB 4.05Å; Y526-K528 WeakPolarHBondContact OH-CD 3.19Å; K528-T684 CarbonylContact C-O 3.52Å; K528-T684 VanDerWaalsContact CA-O 3.27Å; K528-T684 WeakPolarHBondContact CA-O 3.43Å; K528-E685 HydrophobicContact CB-CB 3.73Å; K528-E685 HydrophobicContact CD-CB 4.37Å; K528-E685 WeakPolarHBondContact CD-O 3.47Å; K528-E685 WeakPolarHBondContact CE-O 3.44Å; K528-E685 HydrophobicContact CG-CB 3.96Å; K528-E685 WeakPolarHBondContact CG-O 3.36Å; K528-E685 PolarHBondContact NZ-O 3.43Å
529G80.7Confident86.3Confident0 Ų028.1 Ų28.10%015%0.145CC..EExtended strand (participates in β ladder)trans-165.5137.3173.800000111.4Y580 G683 T684G529-Y580 WeakPolarHBondContact O-CD1 3.36Å; G529-Y580 WeakPolarHBondContact O-CE1 3.37Å; G529-G683 WeakPolarHBondContact O-CA 3.47Å; G529-T684 PolarHBondContact N-O 2.94Å; G529-T684 PolarHBondContact O-N 2.82Å
530A85.5Confident86.1Confident2 Ų229.7 Ų29.72%0.01716%0.155CC..EExtended strand (participates in β ladder)trans-79143.4177.400000111.9K446 Y580 T581 K682 A686K446-A530 HydrophobicContact CD-CB 3.95Å; A530-Y580 CarbonylContact O-C 3.53Å; A530-Y580 WeakPolarHBondContact O-CA 3.41Å; A530-T581 HydrophobicContact CB-CG2 4.08Å; A530-T581 PolarHBondContact O-N 3.25Å; A530-T581 PolarHBondContact O-OG1 2.8Å; A530-K682 CarbonylContact C-O 3.56Å; A530-K682 WeakPolarHBondContact CA-O 3.36Å; A530-A686 HydrophobicContact CB-CB 3.85Å
531W88.2Confident85.9Confident5 Ų532.1 Ų32.12%0.01917%0.172CC..BIsolated β-bridgetrans-59.9150.1171.7-60.4130.9000111.1N533 F535 M578 Y580 T581 M587 V679 D680 K682 G683W531-N533 VanDerWaalsContact C-N 3.27Å; W531-N533 WeakPolarHBondContact CB-O 3.32Å; W531-F535 AromaticContact CD1-CD2 3.98Å; W531-M578 HydrophobicContact CE3-CB 4.19Å; W531-M578 HydrophobicContact CH2-CE 3.65Å; W531-M578 HydrophobicContact CZ2-CE 3.99Å; W531-M578 HydrophobicContact CZ3-CB 3.95Å; W531-M578 HydrophobicContact CZ3-CE 4.21Å; W531-Y580 HydrophobicContact CD2-CE1 4.42Å; W531-Y580 AromaticContact CE3-CD1 3.79Å; W531-Y580 HydrophobicContact CE3-CD1 3.79Å; W531-Y580 AromaticContact CE3-CE1 3.65Å; W531-Y580 HydrophobicContact CE3-CE1 3.65Å; W531-Y580 HydrophobicContact CE3-CG 4.32Å; W531-Y580 AromaticContact CH2-CE1 3.98Å; W531-Y580 HydrophobicContact CH2-CE1 3.98Å; W531-Y580 AromaticContact CH2-CZ 3.84Å; W531-Y580 AromaticContact CZ3-CD1 3.96Å; W531-Y580 HydrophobicContact CZ3-CD1 3.96Å; W531-Y580 HydrophobicContact CZ3-CD2 4.35Å; W531-Y580 AromaticContact CZ3-CE1 3.39Å; W531-Y580 HydrophobicContact CZ3-CE1 3.39Å; W531-Y580 AromaticContact CZ3-CE2 3.85Å; W531-Y580 HydrophobicContact CZ3-CE2 3.85Å; W531-Y580 HydrophobicContact CZ3-CG 4.41Å; W531-Y580 AromaticContact CZ3-CZ 3.33Å; W531-T581 VanDerWaalsContact O-CG2 3.32Å; W531-T581 WeakPolarHBondContact O-CG2 3.35Å; W531-M587 HydrophobicContact CH2-CB 3.91Å; W531-M587 HydrophobicContact CH2-CE 4.11Å; W531-M587 HydrophobicContact CH2-SD 3.9Å; W531-M587 HydrophobicContact CZ3-CB 3.87Å; W531-V679 HydrophobicContact CZ2-CG1 3.9Å; W531-D680 PolarHBondContact NE1-O 2.92Å; W531-K682 VanDerWaalsContact CD1-C 3.48Å; W531-K682 PolarHBondContact N-O 2.98Å; W531-G683 VanDerWaalsContact CD1-CA 3.4Å; W531-G683 VanDerWaalsContact CD1-N 3.26Å; W531-G683 VanDerWaalsContact NE1-CA 3.29Å
532D87.1Confident85.7Confident38 Ų3838.1 Ų38.120%0.20320%0.202CC..SBendtrans-69.6-28.4173.6-174.771000112.7P579 K583D532-P579 HydrophobicContact CB-CB 4.09Å; D532-P579 HydrophobicContact CB-CG 3.98Å; D532-P579 WeakPolarHBondContact CB-O 3.31Å; D532-P579 PolarHBondContact N-O 3.39Å; D532-K583 WeakPolarHBondContact OD1-CD 3.44Å; D532-K583 WeakPolarHBondContact OD1-CE 3.39Å; D532-K583 IonicContact OD1-NZ 3.66Å; D532-K583 PolarHBondContact OD1-NZ 3.3Å; D532-K583 IonicContact OD2-NZ 2.66Å; D532-K583 PolarHBondContact OD2-NZ 2.86Å
533N84.9Confident85.6Confident30 Ų3039 Ų3916%0.1621%0.21CC..SBendtrans-124.8112.6162.6-73.7-46.4000107.2W531 D563 K693W531-N533 VanDerWaalsContact C-N 3.27Å; W531-N533 WeakPolarHBondContact CB-O 3.32Å; N533-D563 WeakPolarHBondContact CB-OD2 3.37Å; N533-D563 PolarHBondContact ND2-OD1 3.28Å; N533-D563 PolarHBondContact ND2-OD2 2.94Å; N533-K693 PolarHBondContact OD1-NZ 2.98Å
534E87.7Confident85.7Confident60 Ų6041.5 Ų41.528%0.2823%0.226SC..PPolyproline II helixtrans-71.5138.2173.4-59.2179.6-164.700108.8K446 E681K446-E534 IonicContact NZ-OE1 3.61Å; K446-E534 PolarHBondContact NZ-OE1 3.13Å; E534-E681 CarbonylContact C-O 3.59Å; E534-E681 WeakPolarHBondContact CA-O 3.49Å
535F88.8Confident86Confident11 Ų1141.5 Ų41.55%0.04823%0.226CC..PPolyproline II helixtrans-65.2151.7171.7-71.5-108000109.2W531 M558 Q560 M578 V624 I626 E681W531-F535 AromaticContact CD1-CD2 3.98Å; F535-M558 HydrophobicContact CD1-CB 3.63Å; F535-M558 HydrophobicContact CD2-CE 4.47Å; F535-M558 HydrophobicContact CE1-CB 3.92Å; F535-M558 HydrophobicContact CE2-CE 4.31Å; F535-M558 HydrophobicContact CG-CB 4.06Å; F535-Q560 HydrophobicContact CD1-CB 3.69Å; F535-Q560 HydrophobicContact CE1-CB 3.76Å; F535-Q560 VanDerWaalsContact CG-OE1 3.26Å; F535-M578 HydrophobicContact CE2-SD 4.31Å; F535-M578 HydrophobicContact CZ-SD 4.22Å; F535-V624 HydrophobicContact CE1-CG1 4.21Å; F535-V624 HydrophobicContact CZ-CG1 4.07Å; F535-I626 HydrophobicContact CE1-CG2 4.12Å; F535-I626 HydrophobicContact CZ-CG2 3.72Å; F535-E681 HydrophobicContact CB-CB 3.84Å; F535-E681 HydrophobicContact CB-CG 4.06Å; F535-E681 PolarHBondContact N-O 3Å
536Y84.6Confident86.4Confident165 Ų16545.5 Ų45.565%0.64724%0.241SC*.PPolyproline II helixtrans-82.4119.9173-175.9-120.3000110.3G538 N539Y536-G538 PolarHBondContact O-N 2.79Å; Y536-G538 VanDerWaalsContact O-N 3.15Å; Y536-N539 WeakPolarHBondContact O-CB 3.28Å; Y536-N539 PolarHBondContact O-N 3.46Å
537E82.6Confident86.4Confident98 Ų9847.2 Ų47.246%0.45825%0.248SC..G310 helixtrans-56.2-32.5-179-65.7178.7155.600112.8N539 T540 E681 K682E537-N539 PolarHBondContact O-N 3.08Å; E537-T540 WeakPolarHBondContact O-CB 3.15Å; E537-T540 PolarHBondContact O-N 2.77Å; E537-T540 VanDerWaalsContact O-N 3.08Å; E537-E681 HydrophobicContact CG-CB 3.97Å; E537-E681 HydrophobicContact CG-CG 3.93Å; E537-K682 WeakPolarHBondContact OE1-CE 3.35Å; E537-K682 IonicContact OE1-NZ 2.64Å; E537-K682 PolarHBondContact OE1-NZ 3.14Å
538G80.9Confident86.1Confident60 Ų6053.8 Ų53.862%0.61928%0.276SS*.G310 helixtrans-71.5-5.8174.900000115.5Y536Y536-G538 PolarHBondContact O-N 2.79Å; Y536-G538 VanDerWaalsContact O-N 3.15Å
539N87.7Confident85.8Confident67 Ų6757.5 Ų57.536%0.35829%0.294SS..G310 helixtrans-96.8-8.1169.1-68.5-5.2000112.6Y536 E537 S541 Q559Y536-N539 WeakPolarHBondContact O-CB 3.28Å; Y536-N539 PolarHBondContact O-N 3.46Å; E537-N539 PolarHBondContact O-N 3.08Å; N539-S541 PolarHBondContact O-N 3.18Å; N539-Q559 HydrophobicContact CB-CB 4.24Å; N539-Q559 VanDerWaalsContact CB-O 3.22Å; N539-Q559 WeakPolarHBondContact CB-O 3.48Å; N539-Q559 PolarHBondContact ND2-O 3.28Å; N539-Q559 VanDerWaalsContact ND2-O 3.08Å
540T90.6Very high85.7Confident34 Ų3465.3 Ų65.321%0.20934%0.336CS..  trans-74.6122.5174.9-620000109.1E537 P556 M557 K628 E681E537-T540 WeakPolarHBondContact O-CB 3.15Å; E537-T540 PolarHBondContact O-N 2.77Å; E537-T540 VanDerWaalsContact O-N 3.08Å; T540-P556 HydrophobicContact CG2-CB 4.11Å; T540-M557 WeakPolarHBondContact CA-O 3.4Å; T540-K628 HydrophobicContact CG2-CD 3.97Å; T540-E681 WeakPolarHBondContact CB-OE1 3.46Å; T540-E681 WeakPolarHBondContact OG1-CG 3.06Å; T540-E681 PolarHBondContact OG1-OE1 2.79Å
541S91Very high85.4Confident53 Ų5367.7 Ų67.737%0.37135%0.348SS..EExtended strand (participates in β ladder)trans-132.3162176.972.50000110.7N539 M557N539-S541 PolarHBondContact O-N 3.18Å; S541-M557 PolarHBondContact N-O 2.8Å; S541-M557 VanDerWaalsContact N-O 3.11Å; S541-M557 PolarHBondContact O-N 2.78Å
542M91.2Very high85.3Confident126 Ų12671 Ų7162%0.62137%0.369SS*.EExtended strand (participates in β ladder)trans-61.7143.3162.3-67.2-61.5-179.600109.6L555 P556M542-L555 CarbonylContact C-O 3.51Å; M542-L555 WeakPolarHBondContact CA-O 3.29Å; M542-L555 VanDerWaalsContact SD-C 3.59Å; M542-P556 HydrophobicContact CE-CG 4.06Å; M542-P556 HydrophobicContact SD-CG 4.01Å
543G88.2Confident85.2Confident17 Ų1770 Ų7018%0.17536%0.364CS..EExtended strand (participates in β ladder)trans-159.2151.8176.600000111.7E554 L555G543-E554 PolarHBondContact N-OE2 2.97Å; G543-L555 PolarHBondContact N-O 3.3Å; G543-L555 PolarHBondContact O-N 3.15Å
544T91Very high85.4Confident55 Ų5573.7 Ų73.734%0.33738%0.381SS..EExtended strand (participates in β ladder)trans-71.7140.4-172-46.50000112Y546 V552 V553 E554 M557T544-Y546 HydrophobicContact CG2-CE1 4.49Å; T544-V552 HydrophobicContact CG2-CB 3.73Å; T544-V552 HydrophobicContact CG2-CG1 3.79Å; T544-V553 CarbonylContact C-O 3.57Å; T544-V553 WeakPolarHBondContact CA-O 3.09Å; T544-E554 WeakPolarHBondContact CA-OE1 3.28Å; T544-E554 WeakPolarHBondContact CB-OE1 3.21Å; T544-E554 PolarHBondContact N-OE1 3.11Å; T544-E554 VanDerWaalsContact N-OE1 3.12Å; T544-E554 PolarHBondContact OG1-OE1 2.95Å; T544-M557 WeakPolarHBondContact O-CE 3.35Å
545F91.8Very high85.4Confident0 Ų071.5 Ų71.50%037%0.371CS..EExtended strand (participates in β ladder)trans-127.9123.5173.5-175.6-79.6000110.3R547 V552 V553 L555 M557 P627 D711 H712 P713 F714 F732 V734F545-R547 PolarHBondContact O-N 3.33Å; F545-V552 WeakPolarHBondContact O-CA 3.08Å; F545-V553 HydrophobicContact CB-CG2 3.84Å; F545-V553 HydrophobicContact CD1-CG2 4.2Å; F545-V553 HydrophobicContact CG-CG2 4.44Å; F545-V553 PolarHBondContact N-O 2.93Å; F545-V553 PolarHBondContact O-N 2.87Å; F545-L555 HydrophobicContact CB-CD1 3.52Å; F545-L555 HydrophobicContact CB-CG 3.87Å; F545-L555 HydrophobicContact CD1-CD1 4.35Å; F545-L555 HydrophobicContact CD2-CD1 3.6Å; F545-L555 HydrophobicContact CE2-CD1 4.37Å; F545-L555 HydrophobicContact CG-CD1 3.58Å; F545-L555 HydrophobicContact CG-CG 4.43Å; F545-M557 HydrophobicContact CB-CE 4.08Å; F545-M557 HydrophobicContact CD2-CE 4.14Å; F545-P627 HydrophobicContact CE2-CG 4.45Å; F545-D711 CarbonylContact C-O 3.55Å; F545-D711 WeakPolarHBondContact CA-O 3.45Å; F545-D711 WeakPolarHBondContact CG-O 3.36Å; F545-H712 VanDerWaalsContact CE2-C 3.49Å; F545-H712 WeakPolarHBondContact CE2-O 3.47Å; F545-H712 WeakPolarHBondContact CZ-O 3.38Å; F545-P713 HydrophobicContact CE1-CG 4.22Å; F545-P713 HydrophobicContact CZ-CG 4.34Å; F545-F714 HydrophobicContact CE2-CE1 4.45Å; F545-F732 HydrophobicContact CD2-CE1 4.24Å; F545-F732 HydrophobicContact CE1-CE1 4.47Å; F545-F732 AromaticContact CE2-CD1 3.78Å; F545-F732 HydrophobicContact CE2-CD1 3.78Å; F545-F732 AromaticContact CE2-CE1 3.52Å; F545-F732 HydrophobicContact CE2-CE1 3.52Å; F545-F732 AromaticContact CZ-CD1 3.73Å; F545-F732 HydrophobicContact CZ-CD1 3.73Å; F545-F732 AromaticContact CZ-CE1 3.64Å; F545-F732 HydrophobicContact CZ-CE1 3.64Å; F545-V734 HydrophobicContact CD1-CB 4.25Å; F545-V734 HydrophobicContact CD1-CG2 3.67Å; F545-V734 HydrophobicContact CE1-CB 4.17Å; F545-V734 HydrophobicContact CE1-CG2 3.64Å; F545-V734 HydrophobicContact CG-CG2 4.26Å; F545-V734 HydrophobicContact CZ-CG2 4.19Å
546Y90.2Very high85.6Confident85 Ų8572.9 Ų72.933%0.33338%0.381SS..EExtended strand (participates in β ladder)trans-87.498.7-177.4-56.6-89.2000110.2T544 K548 D551 V552 P595 D711 H712 P713T544-Y546 HydrophobicContact CG2-CE1 4.49Å; Y546-K548 PolarHBondContact O-N 2.8Å; Y546-D551 CarbonylContact C-O 3.56Å; Y546-V552 HydrophobicContact CD1-CG1 3.31Å; Y546-V552 HydrophobicContact CE1-CG1 3.55Å; Y546-V552 HydrophobicContact CG-CG1 4.11Å; Y546-P595 HydrophobicContact CG-CG 4.22Å; Y546-D711 HydrophobicContact CD2-CB 4.21Å; Y546-D711 WeakPolarHBondContact CD2-O 3.49Å; Y546-D711 HydrophobicContact CE2-CB 4.39Å; Y546-D711 PolarHBondContact N-O 3.33Å; Y546-H712 WeakPolarHBondContact O-CB 3.34Å; Y546-P713 WeakPolarHBondContact O-CD 3.39Å
547R81Confident86Confident43 Ų4365.3 Ų65.316%0.16235%0.351CS..EExtended strand (participates in β ladder)trans-61.6-36.3169.6-59.3-166.5-73.3-135.8-4.1111.2F545 D551 V553 V734F545-R547 PolarHBondContact O-N 3.33Å; R547-D551 WeakPolarHBondContact CA-O 2.98Å; R547-D551 HydrophobicContact CB-CB 4.28Å; R547-D551 WeakPolarHBondContact CB-O 3.11Å; R547-D551 WeakPolarHBondContact CB-OD2 3.45Å; R547-D551 IonicContact CZ-OD1 2.8Å; R547-D551 VanDerWaalsContact CZ-OD1 3.32Å; R547-D551 IonicContact CZ-OD2 2.68Å; R547-D551 PolarHBondContact N-O 2.88Å; R547-D551 VanDerWaalsContact NE-CG 3.26Å; R547-D551 IonicContact NE-OD1 3.88Å; R547-D551 PolarHBondContact NE-OD1 2.99Å; R547-D551 VanDerWaalsContact NE-OD1 3.12Å; R547-D551 IonicContact NE-OD2 3.2Å; R547-D551 PolarHBondContact NE-OD2 3.14Å; R547-D551 IonicContact NH2-OD1 2.7Å; R547-D551 PolarHBondContact NH2-OD1 2.92Å; R547-D551 IonicContact NH2-OD2 2.67Å; R547-V553 HydrophobicContact CG-CG1 4.01Å; R547-V734 WeakPolarHBondContact CD-O 3.35Å; R547-V734 HydrophobicContact CG-CB 4.18Å; R547-V734 WeakPolarHBondContact CG-O 3.35Å
548K74.6Confident86.6Confident137 Ų13760.6 Ų60.660%0.59633%0.33SS*.EExtended strand (participates in β ladder)trans-149.4171.7170.7-53.8-177.7-178.6178.70107.8Y546 D550 D551Y546-K548 PolarHBondContact O-N 2.8Å; K548-D550 VanDerWaalsContact C-N 3.26Å; K548-D550 PolarHBondContact O-N 2.78Å; K548-D551 HydrophobicContact CB-CB 3.98Å; K548-D551 HydrophobicContact CG-CB 4.39Å; K548-D551 PolarHBondContact N-O 3.08Å; K548-D551 PolarHBondContact O-N 3.06Å; K548-D551 VanDerWaalsContact O-N 3.09Å
549E74.2Confident87.1Confident121 Ų12160.7 Ų60.757%0.56531%0.314SS*.THydrogen-bonded Turntrans-50.9-40.2179.1-80.8153.313100114.1S596E549-S596 VanDerWaalsContact CD-OG 3.3Å; E549-S596 WeakPolarHBondContact CG-OG 3.41Å; E549-S596 PolarHBondContact N-OG 3.05Å; E549-S596 VanDerWaalsContact OE2-CB 3.29Å; E549-S596 WeakPolarHBondContact OE2-CB 3.45Å; E549-S596 PolarHBondContact OE2-OG 2.6Å
550D77.8Confident87.1Confident165 Ų16558.3 Ų58.388%0.88230%0.301SS*.THydrogen-bonded Turntrans-101.54179.3-51.9-55.6000114.4K548K548-D550 VanDerWaalsContact C-N 3.26Å; K548-D550 PolarHBondContact O-N 2.78Å
551D80.3Confident86.5Confident51 Ų5160.1 Ų60.127%0.27331%0.311SS..EExtended strand (participates in β ladder)trans-125.8102.2-168.6-177.125.5000111.2Y546 R547 K548Y546-D551 CarbonylContact C-O 3.56Å; R547-D551 WeakPolarHBondContact CA-O 2.98Å; R547-D551 HydrophobicContact CB-CB 4.28Å; R547-D551 WeakPolarHBondContact CB-O 3.11Å; R547-D551 WeakPolarHBondContact CB-OD2 3.45Å; R547-D551 IonicContact CZ-OD1 2.8Å; R547-D551 VanDerWaalsContact CZ-OD1 3.32Å; R547-D551 IonicContact CZ-OD2 2.68Å; R547-D551 PolarHBondContact N-O 2.88Å; R547-D551 VanDerWaalsContact NE-CG 3.26Å; R547-D551 IonicContact NE-OD1 3.88Å; R547-D551 PolarHBondContact NE-OD1 2.99Å; R547-D551 VanDerWaalsContact NE-OD1 3.12Å; R547-D551 IonicContact NE-OD2 3.2Å; R547-D551 PolarHBondContact NE-OD2 3.14Å; R547-D551 IonicContact NH2-OD1 2.7Å; R547-D551 PolarHBondContact NH2-OD1 2.92Å; R547-D551 IonicContact NH2-OD2 2.67Å; K548-D551 HydrophobicContact CB-CB 3.98Å; K548-D551 HydrophobicContact CG-CB 4.39Å; K548-D551 PolarHBondContact N-O 3.08Å; K548-D551 PolarHBondContact O-N 3.06Å; K548-D551 VanDerWaalsContact O-N 3.09Å
552V85.3Confident85.4Confident75 Ų7561.9 Ų61.946%0.45532%0.317SS..EExtended strand (participates in β ladder)trans-120.1152.7-169-69.40000113.8T544 F545 Y546T544-V552 HydrophobicContact CG2-CB 3.73Å; T544-V552 HydrophobicContact CG2-CG1 3.79Å; F545-V552 WeakPolarHBondContact O-CA 3.08Å; Y546-V552 HydrophobicContact CD1-CG1 3.31Å; Y546-V552 HydrophobicContact CE1-CG1 3.55Å; Y546-V552 HydrophobicContact CG-CG1 4.11Å
553V85Confident84.7Confident16 Ų1657.8 Ų57.810%0.09730%0.297CS..EExtended strand (participates in β ladder)trans-143152.9179.1-52.20000109.9T544 F545 R547 L555 V734 C739T544-V553 CarbonylContact C-O 3.57Å; T544-V553 WeakPolarHBondContact CA-O 3.09Å; F545-V553 HydrophobicContact CB-CG2 3.84Å; F545-V553 HydrophobicContact CD1-CG2 4.2Å; F545-V553 HydrophobicContact CG-CG2 4.44Å; F545-V553 PolarHBondContact N-O 2.93Å; F545-V553 PolarHBondContact O-N 2.87Å; R547-V553 HydrophobicContact CG-CG1 4.01Å; V553-L555 HydrophobicContact CG2-CD2 4.02Å; V553-L555 HydrophobicContact CG2-CG 4.15Å; V553-V734 HydrophobicContact CG2-CB 4.22Å; V553-V734 HydrophobicContact CG2-CG1 4.11Å; V553-V734 HydrophobicContact CG2-CG2 4.21Å; V553-C739 WeakPolarHBondContact CB-SG 3.48Å; V553-C739 WeakPolarHBondContact CG1-SG 2.93Å
554E88.4Confident84.6Confident108 Ų10862.5 Ų62.551%0.50532%0.315SS..EExtended strand (participates in β ladder)trans-95.4133172.6-72.6-69.811600110.4G543 T544G543-E554 PolarHBondContact N-OE2 2.97Å; T544-E554 WeakPolarHBondContact CA-OE1 3.28Å; T544-E554 WeakPolarHBondContact CB-OE1 3.21Å; T544-E554 PolarHBondContact N-OE1 3.11Å; T544-E554 VanDerWaalsContact N-OE1 3.12Å; T544-E554 PolarHBondContact OG1-OE1 2.95Å
555L88.9Confident84.6Confident15 Ų1560.3 Ų60.38%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-130.2154177.7-54.7179.8000110.7M542 G543 F545 V553 M557 P627 F732 V734M542-L555 CarbonylContact C-O 3.51Å; M542-L555 WeakPolarHBondContact CA-O 3.29Å; M542-L555 VanDerWaalsContact SD-C 3.59Å; G543-L555 PolarHBondContact N-O 3.3Å; G543-L555 PolarHBondContact O-N 3.15Å; F545-L555 HydrophobicContact CB-CD1 3.52Å; F545-L555 HydrophobicContact CB-CG 3.87Å; F545-L555 HydrophobicContact CD1-CD1 4.35Å; F545-L555 HydrophobicContact CD2-CD1 3.6Å; F545-L555 HydrophobicContact CE2-CD1 4.37Å; F545-L555 HydrophobicContact CG-CD1 3.58Å; F545-L555 HydrophobicContact CG-CG 4.43Å; V553-L555 HydrophobicContact CG2-CD2 4.02Å; V553-L555 HydrophobicContact CG2-CG 4.15Å; L555-M557 PolarHBondContact O-N 3.2Å; L555-M557 VanDerWaalsContact O-N 3.13Å; L555-P627 HydrophobicContact CB-CB 4.36Å; L555-P627 HydrophobicContact CD1-CB 3.75Å; L555-P627 HydrophobicContact CD1-CG 4.3Å; L555-F732 HydrophobicContact CD1-CE1 4.18Å; L555-F732 HydrophobicContact CD1-CZ 4.23Å; L555-V734 HydrophobicContact CD1-CG2 3.85Å; L555-V734 HydrophobicContact CD2-CG2 4.06Å; L555-V734 HydrophobicContact CG-CG2 4.5Å
556P91.7Very high84.7Confident40 Ų4062.7 Ų62.726%0.2631%0.31SS..EExtended strand (participates in β ladder)trans-65.3110.7164.4-17.431.1000110.4T540 M542 P627 K628T540-P556 HydrophobicContact CG2-CB 4.11Å; M542-P556 HydrophobicContact CE-CG 4.06Å; M542-P556 HydrophobicContact SD-CG 4.01Å; P556-P627 CarbonylContact O-C 3.19Å; P556-P627 WeakPolarHBondContact O-CA 3.27Å; P556-K628 HydrophobicContact CB-CB 4.35Å; P556-K628 HydrophobicContact CB-CD 3.98Å; P556-K628 HydrophobicContact CB-CG 4.23Å; P556-K628 PolarHBondContact O-N 2.78Å
557M93.6Very high84.9Confident5 Ų559 Ų593%0.02530%0.295CS..EExtended strand (participates in β ladder)trans-100.4115.6178.8-70-67.4-16800110.4T540 S541 T544 F545 L555 T625 P627 D711T540-M557 WeakPolarHBondContact CA-O 3.4Å; S541-M557 PolarHBondContact N-O 2.8Å; S541-M557 VanDerWaalsContact N-O 3.11Å; S541-M557 PolarHBondContact O-N 2.78Å; T544-M557 WeakPolarHBondContact O-CE 3.35Å; F545-M557 HydrophobicContact CB-CE 4.08Å; F545-M557 HydrophobicContact CD2-CE 4.14Å; L555-M557 PolarHBondContact O-N 3.2Å; L555-M557 VanDerWaalsContact O-N 3.13Å; M557-T625 HydrophobicContact CB-CG2 3.98Å; M557-T625 HydrophobicContact CG-CG2 4.34Å; M557-T625 HydrophobicContact SD-CG2 4.23Å; M557-P627 HydrophobicContact SD-CB 3.87Å; M557-P627 HydrophobicContact SD-CG 4.31Å; M557-D711 HydrophobicContact CE-CB 4.34Å
558M94.6Very high85.5Confident0 Ų059.1 Ų59.10%030%0.3CS..EExtended strand (participates in β ladder)trans-76.4136.9172.4-51-173.5-6800109.6F535 T625 I626 K628 V679 E681F535-M558 HydrophobicContact CD1-CB 3.63Å; F535-M558 HydrophobicContact CD2-CE 4.47Å; F535-M558 HydrophobicContact CE1-CB 3.92Å; F535-M558 HydrophobicContact CE2-CE 4.31Å; F535-M558 HydrophobicContact CG-CB 4.06Å; M558-T625 WeakPolarHBondContact O-CA 3.33Å; M558-I626 HydrophobicContact CB-CG2 4.4Å; M558-I626 HydrophobicContact CE-CG2 3.72Å; M558-I626 PolarHBondContact N-O 2.61Å; M558-I626 PolarHBondContact O-N 3.33Å; M558-K628 HydrophobicContact CG-CD 4.18Å; M558-K628 HydrophobicContact CG-CG 3.44Å; M558-K628 VanDerWaalsContact CG-CG 3.44Å; M558-K628 HydrophobicContact SD-CD 4.46Å; M558-K628 HydrophobicContact SD-CG 3.7Å; M558-V679 HydrophobicContact CE-CG1 4.45Å; M558-E681 HydrophobicContact CG-CG 4.15Å; M558-E681 HydrophobicContact SD-CB 4.31Å; M558-E681 HydrophobicContact SD-CG 3.84Å; M558-E681 PolarHBondContact SD-N 2.83Å
559Q92.9Very high86.4Confident62 Ų6256.3 Ų56.329%0.2929%0.289SS..EExtended strand (participates in β ladder)trans-130.5136-177.9-55-170.628.100113.6N539 V624 T625N539-Q559 HydrophobicContact CB-CB 4.24Å; N539-Q559 VanDerWaalsContact CB-O 3.22Å; N539-Q559 WeakPolarHBondContact CB-O 3.48Å; N539-Q559 PolarHBondContact ND2-O 3.28Å; N539-Q559 VanDerWaalsContact ND2-O 3.08Å; Q559-V624 WeakPolarHBondContact CA-O 3.37Å; Q559-T625 HydrophobicContact CG-CG2 4.04Å
560Q87.1Confident87.1Confident17 Ų1753.2 Ų53.28%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-141.1133.1179.1-167.3157.2-14.500110.5F535 D563 F565 V624F535-Q560 HydrophobicContact CD1-CB 3.69Å; F535-Q560 HydrophobicContact CE1-CB 3.76Å; F535-Q560 VanDerWaalsContact CG-OE1 3.26Å; Q560-D563 HydrophobicContact CG-CB 4.33Å; Q560-D563 PolarHBondContact NE2-OD2 3.43Å; Q560-F565 HydrophobicContact CG-CZ 4.4Å; Q560-V624 PolarHBondContact N-O 3.03Å; Q560-V624 PolarHBondContact O-N 2.83Å
561T78.7Confident87.5Confident71 Ų7149.6 Ų49.644%0.43627%0.271SS..EExtended strand (participates in β ladder)trans-124.2137-174.442.10000110.6Q623T561-Q623 HydrophobicContact CG2-CB 4.48Å; T561-Q623 HydrophobicContact CG2-CG 3.86Å
562N67.1Low87.8Confident90 Ų9052.9 Ų52.948%0.48129%0.285SS..EExtended strand (participates in β ladder)trans6053.5177.3-47.5-39.7000114Q704N562-Q704 PolarHBondContact OD1-NE2 3.47Å
563D75.9Confident88.1Confident40 Ų4051 Ų5121%0.21427%0.27CS..EExtended strand (participates in β ladder)trans-126.1156.2170.1-139.3-34000110.6N533 Q560 F565 V622N533-D563 WeakPolarHBondContact CB-OD2 3.37Å; N533-D563 PolarHBondContact ND2-OD1 3.28Å; N533-D563 PolarHBondContact ND2-OD2 2.94Å; Q560-D563 HydrophobicContact CG-CB 4.33Å; Q560-D563 PolarHBondContact NE2-OD2 3.43Å; D563-F565 HydrophobicContact CB-CD2 4.33Å; D563-F565 HydrophobicContact CB-CE2 3.75Å; D563-F565 HydrophobicContact CB-CZ 4.37Å; D563-F565 PolarHBondContact O-N 2.71Å; D563-V622 PolarHBondContact O-N 3.08Å
564E86.4Confident88.6Confident117 Ų11751.4 Ų51.455%0.54727%0.27SS..EExtended strand (participates in β ladder)trans-86108.3-178.6-75.1-17317500111Q619 E620E564-Q619 PolarHBondContact OE2-NE2 3.03Å; E564-E620 WeakPolarHBondContact CA-O 3.47Å
565F91.6Very high89Confident8 Ų846.2 Ų46.24%0.03525%0.246CC..EExtended strand (participates in β ladder)trans-109.9156.8174.9-68.7-84.5000111.3Q560 D563 Y567 L576 M578 Q619 E620 V622 V624Q560-F565 HydrophobicContact CG-CZ 4.4Å; D563-F565 HydrophobicContact CB-CD2 4.33Å; D563-F565 HydrophobicContact CB-CE2 3.75Å; D563-F565 HydrophobicContact CB-CZ 4.37Å; D563-F565 PolarHBondContact O-N 2.71Å; F565-Y567 PolarHBondContact O-N 3.13Å; F565-L576 HydrophobicContact CB-CD1 3.54Å; F565-L576 HydrophobicContact CB-CG 4.45Å; F565-L576 HydrophobicContact CD1-CD1 4.35Å; F565-L576 HydrophobicContact CG-CD1 3.96Å; F565-M578 HydrophobicContact CD1-CG 4.03Å; F565-M578 HydrophobicContact CE1-CG 4Å; F565-Q619 WeakPolarHBondContact O-CA 3.49Å; F565-E620 PolarHBondContact N-O 2.81Å; F565-E620 PolarHBondContact O-N 3.11Å; F565-V622 HydrophobicContact CB-CB 4.46Å; F565-V622 HydrophobicContact CB-CG2 4.37Å; F565-V622 HydrophobicContact CD2-CB 4.26Å; F565-V624 HydrophobicContact CD1-CG2 4.42Å; F565-V624 HydrophobicContact CD2-CG2 3.56Å; F565-V624 HydrophobicContact CE1-CG2 4.35Å; F565-V624 HydrophobicContact CE2-CB 4.2Å; F565-V624 HydrophobicContact CE2-CG2 3.47Å; F565-V624 VanDerWaalsContact CE2-CG2 3.47Å; F565-V624 HydrophobicContact CG-CG2 4.04Å; F565-V624 HydrophobicContact CZ-CB 4.36Å; F565-V624 HydrophobicContact CZ-CG2 3.9Å
566Y93.2Very high89.3Confident50 Ų5045.5 Ų45.520%0.19624%0.242CC..EExtended strand (participates in β ladder)trans-77.5118.1170.8-71.2-104.3000108.2L576 G577 P579 R586 R618 Q619Y566-L576 CarbonylContact O-C 3.49Å; Y566-L576 WeakPolarHBondContact O-CA 3.45Å; Y566-G577 WeakPolarHBondContact CB-O 3.33Å; Y566-G577 PolarHBondContact N-O 2.99Å; Y566-G577 VanDerWaalsContact N-O 3.15Å; Y566-G577 PolarHBondContact O-N 2.97Å; Y566-P579 HydrophobicContact CE2-CG 4.47Å; Y566-R586 VanDerWaalsContact CZ-NH2 3.26Å; Y566-R586 PolarHBondContact OH-NH2 2.96Å; Y566-R618 CarbonylContact C-O 3.52Å; Y566-R618 WeakPolarHBondContact CA-O 3.45Å; Y566-Q619 HydrophobicContact CD1-CG 4.47Å; Y566-Q619 HydrophobicContact CD2-CG 4.39Å; Y566-Q619 HydrophobicContact CE1-CG 4.14Å; Y566-Q619 HydrophobicContact CE2-CG 4.02Å
567Y94.6Very high89.4Confident7 Ų743.6 Ų43.63%0.02723%0.23CC..EExtended strand (participates in β ladder)trans-134149.2-170.4-175-102.2000112.7F565 E569 Q574 I575 L576 T617 R618 V622 Y706 F708F565-Y567 PolarHBondContact O-N 3.13Å; Y567-E569 HydrophobicContact CE1-CB 4.29Å; Y567-E569 HydrophobicContact CE1-CG 4.06Å; Y567-E569 PolarHBondContact OH-OE2 3.36Å; Y567-Q574 HydrophobicContact CE2-CB 4.47Å; Y567-Q574 PolarHBondContact OH-NE2 3.4Å; Y567-I575 WeakPolarHBondContact CA-O 3.14Å; Y567-L576 HydrophobicContact CD2-CD1 4.3Å; Y567-T617 WeakPolarHBondContact O-CA 3.47Å; Y567-R618 PolarHBondContact N-O 2.84Å; Y567-R618 PolarHBondContact O-N 3.45Å; Y567-V622 HydrophobicContact CD2-CG1 4.38Å; Y567-V622 HydrophobicContact CD2-CG2 4.07Å; Y567-V622 HydrophobicContact CG-CG2 3.95Å; Y567-Y706 HydrophobicContact CD1-CD1 4.15Å; Y567-Y706 HydrophobicContact CD1-CD2 4.25Å; Y567-Y706 HydrophobicContact CD1-CE1 4.43Å; Y567-Y706 HydrophobicContact CD1-CG 4.01Å; Y567-Y706 AromaticContact CE1-CD1 3.46Å; Y567-Y706 HydrophobicContact CE1-CD1 3.46Å; Y567-Y706 VanDerWaalsContact CE1-CD1 3.46Å; Y567-Y706 HydrophobicContact CE1-CD2 4.32Å; Y567-Y706 AromaticContact CE1-CE1 3.94Å; Y567-Y706 HydrophobicContact CE1-CE1 3.94Å; Y567-Y706 AromaticContact CE1-CG 3.64Å; Y567-Y706 HydrophobicContact CE1-CG 3.64Å; Y567-F708 HydrophobicContact CE2-CB 4.46Å; Y567-F708 HydrophobicContact CE2-CD2 4.23Å
568N94Very high89.4Confident47 Ų4743.5 Ų43.525%0.25123%0.23SC..EExtended strand (participates in β ladder)trans-157.5157.6164.2-168.419000109.7I575 T617N568-I575 HydrophobicContact CB-CG2 3.84Å; N568-I575 PolarHBondContact N-O 2.95Å; N568-I575 VanDerWaalsContact N-O 3.12Å; N568-I575 PolarHBondContact O-N 3.25Å; N568-T617 HydrophobicContact CB-CG2 4.16Å
569E93.2Very high89.3Confident78 Ų7844.2 Ų44.236%0.36423%0.234SC..EExtended strand (participates in β ladder)trans-147.5163.4172.565.5166.7-159.800113.8Y567 W573 Q574 K593Y567-E569 HydrophobicContact CE1-CB 4.29Å; Y567-E569 HydrophobicContact CE1-CG 4.06Å; Y567-E569 PolarHBondContact OH-OE2 3.36Å; E569-W573 WeakPolarHBondContact CA-O 3.36Å; E569-Q574 HydrophobicContact CB-CB 4.27Å; E569-Q574 HydrophobicContact CB-CG 3.89Å; E569-Q574 PolarHBondContact OE2-NE2 2.89Å; E569-K593 IonicContact OE2-NZ 2.81Å; E569-K593 PolarHBondContact OE2-NZ 2.87Å
570T89.5Confident89Confident55 Ų5541.2 Ų41.234%0.33722%0.22SC..  trans-133.2-177.517468.20000109.8E572 W573 K593T570-E572 PolarHBondContact O-N 2.77Å; T570-E572 PolarHBondContact OG1-N 2.97Å; T570-W573 HydrophobicContact CG2-CD2 4.08Å; T570-W573 HydrophobicContact CG2-CE3 4.24Å; T570-W573 HydrophobicContact CG2-CH2 3.68Å; T570-W573 HydrophobicContact CG2-CZ2 3.49Å; T570-W573 VanDerWaalsContact CG2-CZ2 3.49Å; T570-W573 HydrophobicContact CG2-CZ3 4.04Å; T570-W573 PolarHBondContact N-O 3.32Å; T570-W573 PolarHBondContact OG1-N 3.15Å; T570-W573 VanDerWaalsContact OG1-N 3.14Å; T570-W573 PolarHBondContact OG1-O 3.19Å; T570-K593 WeakPolarHBondContact O-CE 3.45Å
571A85.4Confident88.8Confident90 Ų9042.3 Ų42.374%0.74423%0.228SC*.SBendtrans-65.6-24.317200000113.6
572E86.2Confident88.7Confident120 Ų12039 Ų3956%0.56121%0.207SC*.SBendtrans-102.3-28.1-174.3-63.6-69.5126.300113.2T570 P592 K593T570-E572 PolarHBondContact O-N 2.77Å; T570-E572 PolarHBondContact OG1-N 2.97Å; E572-P592 CarbonylContact O-C 3.59Å; E572-K593 PolarHBondContact O-N 2.78Å
573W92.5Very high89.1Confident36 Ų3640.1 Ų40.114%0.13621%0.208CC..EExtended strand (participates in β ladder)trans-155162.2-172.953.2-103.4000114E569 T570 I575 M590 L591 M601 A613E569-W573 WeakPolarHBondContact CA-O 3.36Å; T570-W573 HydrophobicContact CG2-CD2 4.08Å; T570-W573 HydrophobicContact CG2-CE3 4.24Å; T570-W573 HydrophobicContact CG2-CH2 3.68Å; T570-W573 HydrophobicContact CG2-CZ2 3.49Å; T570-W573 VanDerWaalsContact CG2-CZ2 3.49Å; T570-W573 HydrophobicContact CG2-CZ3 4.04Å; T570-W573 PolarHBondContact N-O 3.32Å; T570-W573 PolarHBondContact OG1-N 3.15Å; T570-W573 VanDerWaalsContact OG1-N 3.14Å; T570-W573 PolarHBondContact OG1-O 3.19Å; W573-I575 HydrophobicContact CE3-CB 4.34Å; W573-I575 HydrophobicContact CE3-CG2 4.4Å; W573-I575 HydrophobicContact CZ3-CB 4.14Å; W573-I575 HydrophobicContact CZ3-CG2 3.74Å; W573-M590 HydrophobicContact CD2-CE 3.36Å; W573-M590 HydrophobicContact CE3-CE 3.58Å; W573-M590 HydrophobicContact CG-CE 3.93Å; W573-M590 HydrophobicContact CH2-CE 3.84Å; W573-M590 HydrophobicContact CZ2-CE 3.61Å; W573-M590 HydrophobicContact CZ3-CE 3.83Å; W573-L591 CarbonylContact C-O 3.49Å; W573-L591 VanDerWaalsContact CA-O 3.3Å; W573-L591 WeakPolarHBondContact CA-O 3.49Å; W573-L591 WeakPolarHBondContact CB-O 3.37Å; W573-M601 HydrophobicContact CB-CG 4.35Å; W573-M601 HydrophobicContact CB-SD 3.63Å; W573-M601 HydrophobicContact CG-CG 4.45Å; W573-M601 HydrophobicContact CG-SD 4.14Å; W573-A613 HydrophobicContact CH2-CB 3.59Å; W573-A613 HydrophobicContact CZ2-CB 4.15Å; W573-A613 HydrophobicContact CZ3-CB 4.14Å
574Q95.3Very high89.2Confident23 Ų2339.5 Ų39.511%0.10720%0.203CC..EExtended strand (participates in β ladder)trans-117.5153169.1-56-178-59.500109.6Y567 E569 M590 L591 K593 V707 F708Y567-Q574 HydrophobicContact CE2-CB 4.47Å; Y567-Q574 PolarHBondContact OH-NE2 3.4Å; E569-Q574 HydrophobicContact CB-CB 4.27Å; E569-Q574 HydrophobicContact CB-CG 3.89Å; E569-Q574 PolarHBondContact OE2-NE2 2.89Å; Q574-M590 WeakPolarHBondContact O-CA 3.13Å; Q574-L591 PolarHBondContact N-O 2.8Å; Q574-L591 PolarHBondContact O-N 2.97Å; Q574-K593 HydrophobicContact CG-CD 4.09Å; Q574-K593 VanDerWaalsContact NE2-NZ 3.14Å; Q574-V707 PolarHBondContact NE2-O 2.82Å; Q574-F708 HydrophobicContact CB-CD2 3.78Å; Q574-F708 HydrophobicContact CB-CE2 3.81Å
575I95.5Very high89.1Confident0 Ų034 Ų340%018%0.178CC..EExtended strand (participates in β ladder)trans-135.8132.4172.2-167174.3000111.2Y567 N568 W573 Y588 V589 M590 A613 M614 T617Y567-I575 WeakPolarHBondContact CA-O 3.14Å; N568-I575 HydrophobicContact CB-CG2 3.84Å; N568-I575 PolarHBondContact N-O 2.95Å; N568-I575 VanDerWaalsContact N-O 3.12Å; N568-I575 PolarHBondContact O-N 3.25Å; W573-I575 HydrophobicContact CE3-CB 4.34Å; W573-I575 HydrophobicContact CE3-CG2 4.4Å; W573-I575 HydrophobicContact CZ3-CB 4.14Å; W573-I575 HydrophobicContact CZ3-CG2 3.74Å; I575-Y588 HydrophobicContact CD1-CD1 4.35Å; I575-Y588 HydrophobicContact CG1-CD1 4.47Å; I575-V589 WeakPolarHBondContact CA-O 3.28Å; I575-V589 WeakPolarHBondContact CG1-O 3.24Å; I575-M590 HydrophobicContact CB-CB 4.46Å; I575-M590 HydrophobicContact CB-CG 4.24Å; I575-M590 HydrophobicContact CD1-CB 4.2Å; I575-M590 HydrophobicContact CD1-CG 4.25Å; I575-M590 HydrophobicContact CD1-SD 4.19Å; I575-M590 HydrophobicContact CG1-CB 4.04Å; I575-M590 HydrophobicContact CG1-CG 4.24Å; I575-A613 HydrophobicContact CD1-CB 3.99Å; I575-M614 HydrophobicContact CD1-CG 3.91Å; I575-T617 HydrophobicContact CG2-CG2 3.76Å
576L96Very high89Confident0 Ų034.9 Ų34.90%018%0.181CC..EExtended strand (participates in β ladder)trans-119.1128.9179.6-173.179.5000109.7F565 Y566 Y567 M578 Y588 V589 V622 V624 F708F565-L576 HydrophobicContact CB-CD1 3.54Å; F565-L576 HydrophobicContact CB-CG 4.45Å; F565-L576 HydrophobicContact CD1-CD1 4.35Å; F565-L576 HydrophobicContact CG-CD1 3.96Å; Y566-L576 CarbonylContact O-C 3.49Å; Y566-L576 WeakPolarHBondContact O-CA 3.45Å; Y567-L576 HydrophobicContact CD2-CD1 4.3Å; L576-M578 HydrophobicContact CD2-CG 3.85Å; L576-M578 HydrophobicContact CD2-SD 4.07Å; L576-M578 HydrophobicContact CG-CG 4.23Å; L576-Y588 CarbonylContact O-C 3.55Å; L576-Y588 VanDerWaalsContact O-CA 3.25Å; L576-Y588 WeakPolarHBondContact O-CA 3.44Å; L576-V589 PolarHBondContact N-O 3.37Å; L576-V589 PolarHBondContact O-N 2.82Å; L576-V622 HydrophobicContact CD1-CG1 4.22Å; L576-V624 HydrophobicContact CD1-CG2 3.86Å; L576-V624 HydrophobicContact CD2-CB 4.31Å; L576-V624 HydrophobicContact CD2-CG1 3.61Å; L576-V624 HydrophobicContact CD2-CG2 3.65Å; L576-V624 HydrophobicContact CG-CG2 4.42Å; L576-F708 HydrophobicContact CB-CD1 3.91Å; L576-F708 HydrophobicContact CB-CD2 3.96Å; L576-F708 HydrophobicContact CB-CE1 3.77Å; L576-F708 HydrophobicContact CB-CE2 3.82Å; L576-F708 HydrophobicContact CB-CG 3.99Å; L576-F708 HydrophobicContact CB-CZ 3.72Å; L576-F708 HydrophobicContact CD1-CB 4.5Å; L576-F708 HydrophobicContact CD1-CG 4.47Å; L576-F708 HydrophobicContact CD2-CD1 3.68Å; L576-F708 HydrophobicContact CD2-CE1 3.95Å; L576-F708 HydrophobicContact CD2-CG 4.26Å; L576-F708 HydrophobicContact CG-CD1 4.3Å; L576-F708 HydrophobicContact CG-CE1 4.49Å; L576-F708 HydrophobicContact CG-CG 4.48Å
577G94.3Very high89Confident0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-110.5108.9174.100000111Y566 P579 M587 Y588Y566-G577 WeakPolarHBondContact CB-O 3.33Å; Y566-G577 PolarHBondContact N-O 2.99Å; Y566-G577 VanDerWaalsContact N-O 3.15Å; Y566-G577 PolarHBondContact O-N 2.97Å; G577-P579 WeakPolarHBondContact O-CD 3.23Å; G577-M587 CarbonylContact C-O 3.55Å; G577-M587 WeakPolarHBondContact CA-O 3.48Å; G577-Y588 VanDerWaalsContact CA-CD1 3.47Å
578M93.9Very high89Confident3 Ų332.8 Ų32.82%0.01517%0.173CC..EExtended strand (participates in β ladder)trans-94.4114.4178.2-57.5-173.4-63.500109.5W531 F535 F565 L576 R586 M587 V589 I626W531-M578 HydrophobicContact CE3-CB 4.19Å; W531-M578 HydrophobicContact CH2-CE 3.65Å; W531-M578 HydrophobicContact CZ2-CE 3.99Å; W531-M578 HydrophobicContact CZ3-CB 3.95Å; W531-M578 HydrophobicContact CZ3-CE 4.21Å; F535-M578 HydrophobicContact CE2-SD 4.31Å; F535-M578 HydrophobicContact CZ-SD 4.22Å; F565-M578 HydrophobicContact CD1-CG 4.03Å; F565-M578 HydrophobicContact CE1-CG 4Å; L576-M578 HydrophobicContact CD2-CG 3.85Å; L576-M578 HydrophobicContact CD2-SD 4.07Å; L576-M578 HydrophobicContact CG-CG 4.23Å; M578-R586 CarbonylContact O-C 3.29Å; M578-R586 WeakPolarHBondContact O-CA 3.47Å; M578-M587 HydrophobicContact CE-CB 4.34Å; M578-M587 HydrophobicContact CE-CG 4.25Å; M578-M587 HydrophobicContact CE-SD 3.73Å; M578-M587 PolarHBondContact N-O 3.11Å; M578-M587 PolarHBondContact O-N 2.94Å; M578-V589 HydrophobicContact CE-CG2 4.01Å; M578-I626 HydrophobicContact CE-CD1 3.77Å; M578-I626 HydrophobicContact SD-CD1 4.42Å
579P91Very high89Confident14 Ų1430.5 Ų30.59%0.09116%0.161CC..EExtended strand (participates in β ladder)trans-76142.9179.427.9-30.7000112.7D532 Y566 G577 R586D532-P579 HydrophobicContact CB-CB 4.09Å; D532-P579 HydrophobicContact CB-CG 3.98Å; D532-P579 WeakPolarHBondContact CB-O 3.31Å; D532-P579 PolarHBondContact N-O 3.39Å; Y566-P579 HydrophobicContact CE2-CG 4.47Å; G577-P579 WeakPolarHBondContact O-CD 3.23Å; P579-R586 HydrophobicContact CB-CG 4.28Å
580Y87.9Confident89.1Confident0 Ų026.9 Ų26.90%014%0.144CC..BIsolated β-bridgetrans-86.9160.1165.7-65.7-85.5000110.7F527 G529 A530 W531 A582 K583 L585 M587 T684 I718F527-Y580 AromaticContact CE1-CE1 3.94Å; F527-Y580 HydrophobicContact CE1-CE1 3.94Å; F527-Y580 HydrophobicContact CE1-CE2 4.26Å; F527-Y580 AromaticContact CE1-CZ 3.66Å; F527-Y580 HydrophobicContact CZ-CD1 4.3Å; F527-Y580 AromaticContact CZ-CE1 3.93Å; F527-Y580 HydrophobicContact CZ-CE1 3.93Å; F527-Y580 HydrophobicContact CZ-CE2 4.16Å; F527-Y580 AromaticContact CZ-CZ 3.86Å; G529-Y580 WeakPolarHBondContact O-CD1 3.36Å; G529-Y580 WeakPolarHBondContact O-CE1 3.37Å; A530-Y580 CarbonylContact O-C 3.53Å; A530-Y580 WeakPolarHBondContact O-CA 3.41Å; W531-Y580 HydrophobicContact CD2-CE1 4.42Å; W531-Y580 AromaticContact CE3-CD1 3.79Å; W531-Y580 HydrophobicContact CE3-CD1 3.79Å; W531-Y580 AromaticContact CE3-CE1 3.65Å; W531-Y580 HydrophobicContact CE3-CE1 3.65Å; W531-Y580 HydrophobicContact CE3-CG 4.32Å; W531-Y580 AromaticContact CH2-CE1 3.98Å; W531-Y580 HydrophobicContact CH2-CE1 3.98Å; W531-Y580 AromaticContact CH2-CZ 3.84Å; W531-Y580 AromaticContact CZ3-CD1 3.96Å; W531-Y580 HydrophobicContact CZ3-CD1 3.96Å; W531-Y580 HydrophobicContact CZ3-CD2 4.35Å; W531-Y580 AromaticContact CZ3-CE1 3.39Å; W531-Y580 HydrophobicContact CZ3-CE1 3.39Å; W531-Y580 AromaticContact CZ3-CE2 3.85Å; W531-Y580 HydrophobicContact CZ3-CE2 3.85Å; W531-Y580 HydrophobicContact CZ3-CG 4.41Å; W531-Y580 AromaticContact CZ3-CZ 3.33Å; Y580-A582 CarbonylContact O-C 3.52Å; Y580-A582 PolarHBondContact O-N 2.89Å; Y580-A582 VanDerWaalsContact O-N 3.08Å; Y580-K583 PolarHBondContact O-N 2.78Å; Y580-L585 HydrophobicContact CD2-CB 3.76Å; Y580-L585 HydrophobicContact CG-CB 4.28Å; Y580-L585 PolarHBondContact N-O 2.97Å; Y580-M587 HydrophobicContact CE2-CB 4.04Å; Y580-T684 PolarHBondContact OH-OG1 3.08Å; Y580-I718 HydrophobicContact CE2-CG2 4.17Å
581T82Confident89.4Confident40 Ų4024.4 Ų24.425%0.24513%0.129CC..SBendtrans-45.9-38175.636.30000113.8K446 A530 W531 K583K446-T581 HydrophobicContact CD-CG2 4.1Å; A530-T581 HydrophobicContact CB-CG2 4.08Å; A530-T581 PolarHBondContact O-N 3.25Å; A530-T581 PolarHBondContact O-OG1 2.8Å; W531-T581 VanDerWaalsContact O-CG2 3.32Å; W531-T581 WeakPolarHBondContact O-CG2 3.35Å; T581-K583 PolarHBondContact O-N 3.3Å
582A76.4Confident89.8Confident0 Ų020.2 Ų20.20%09%0.093CC..SBendtrans-81.396.8162.500000109.2Y444 I447 Y580 F584 L585Y444-A582 HydrophobicContact CD1-CB 3.45Å; Y444-A582 VanDerWaalsContact CD1-CB 3.45Å; Y444-A582 HydrophobicContact CD2-CB 4.46Å; Y444-A582 HydrophobicContact CE1-CB 3.96Å; Y444-A582 HydrophobicContact CG-CB 3.74Å; I447-A582 HydrophobicContact CD1-CB 3.37Å; I447-A582 HydrophobicContact CG1-CB 4.33Å; Y580-A582 CarbonylContact O-C 3.52Å; Y580-A582 PolarHBondContact O-N 2.89Å; Y580-A582 VanDerWaalsContact O-N 3.08Å; A582-F584 HydrophobicContact CB-CD1 4.16Å; A582-F584 HydrophobicContact CB-CE1 3.64Å; A582-F584 HydrophobicContact CB-CE2 4.23Å; A582-F584 HydrophobicContact CB-CZ 3.67Å; A582-F584 PolarHBondContact O-N 2.87Å; A582-L585 PolarHBondContact O-N 2.72Å
583K76.5Confident90Very high115 Ų11518.6 Ų18.650%0.59%0.085SC..THydrogen-bonded Turntrans-49.5-12.9-171.6-61.9-72.1-165.5176.60117D532 Y580 T581 R586D532-K583 WeakPolarHBondContact OD1-CD 3.44Å; D532-K583 WeakPolarHBondContact OD1-CE 3.39Å; D532-K583 IonicContact OD1-NZ 3.66Å; D532-K583 PolarHBondContact OD1-NZ 3.3Å; D532-K583 IonicContact OD2-NZ 2.66Å; D532-K583 PolarHBondContact OD2-NZ 2.86Å; Y580-K583 PolarHBondContact O-N 2.78Å; T581-K583 PolarHBondContact O-N 3.3Å; K583-R586 PolarHBondContact O-NH1 2.98Å; K583-R586 VanDerWaalsContact O-NH1 3.13Å
584F78.4Confident89.7Confident26 Ų2622.9 Ų22.911%0.11410%0.104CC..THydrogen-bonded Turntrans-82.4-26.3173.355.9-99.5000113.7Y444 A582 D720 T721 R722Y444-F584 HydrophobicContact CD2-CE1 4.03Å; Y444-F584 AromaticContact CE2-CE1 4Å; Y444-F584 HydrophobicContact CE2-CE1 4Å; A582-F584 HydrophobicContact CB-CD1 4.16Å; A582-F584 HydrophobicContact CB-CE1 3.64Å; A582-F584 HydrophobicContact CB-CE2 4.23Å; A582-F584 HydrophobicContact CB-CZ 3.67Å; A582-F584 PolarHBondContact O-N 2.87Å; F584-D720 VanDerWaalsContact CD2-OD2 3.27Å; F584-D720 WeakPolarHBondContact CD2-OD2 3.29Å; F584-T721 WeakPolarHBondContact O-CG2 3.4Å; F584-T721 PolarHBondContact O-N 3.27Å; F584-T721 PolarHBondContact O-OG1 2.59Å; F584-T721 VanDerWaalsContact O-OG1 3.08Å; F584-R722 HydrophobicContact CB-CG 3.64Å; F584-R722 HydrophobicContact CG-CG 4.12Å
585L82.7Confident88.8Confident3 Ų323.1 Ų23.12%0.01611%0.108CC..EExtended strand (participates in β ladder)trans-86.2133.7173.6-81.4159.2000109.8I447 F527 Y580 A582 I718 V719 D720 L727I447-L585 HydrophobicContact CD1-CD1 3.58Å; I447-L585 HydrophobicContact CG2-CD1 4.24Å; F527-L585 HydrophobicContact CE2-CD1 4.31Å; Y580-L585 HydrophobicContact CD2-CB 3.76Å; Y580-L585 HydrophobicContact CG-CB 4.28Å; Y580-L585 PolarHBondContact N-O 2.97Å; A582-L585 PolarHBondContact O-N 2.72Å; L585-I718 HydrophobicContact CD2-CG2 4.18Å; L585-V719 WeakPolarHBondContact CA-O 3.33Å; L585-D720 HydrophobicContact CD2-CB 4.14Å; L585-L727 HydrophobicContact CD2-CD1 3.75Å
586R89.9Confident87.8Confident26 Ų2626.1 Ų26.110%0.09813%0.129CC..EExtended strand (participates in β ladder)trans-133.9141.7169.9-68.7174.2-175.570.9-2.2109.8Y566 M578 P579 K583 Y588 I718 V719 T721Y566-R586 VanDerWaalsContact CZ-NH2 3.26Å; Y566-R586 PolarHBondContact OH-NH2 2.96Å; M578-R586 CarbonylContact O-C 3.29Å; M578-R586 WeakPolarHBondContact O-CA 3.47Å; P579-R586 HydrophobicContact CB-CG 4.28Å; K583-R586 PolarHBondContact O-NH1 2.98Å; K583-R586 VanDerWaalsContact O-NH1 3.13Å; R586-Y588 HydrophobicContact CB-CD2 4.22Å; R586-Y588 HydrophobicContact CB-CE2 3.82Å; R586-Y588 WeakPolarHBondContact CD-OH 3.38Å; R586-I718 WeakPolarHBondContact O-CA 3.37Å; R586-V719 PolarHBondContact N-O 3.44Å; R586-V719 VanDerWaalsContact N-O 3.08Å; R586-V719 PolarHBondContact O-N 3.21Å; R586-T721 PolarHBondContact NH1-OG1 2.89Å
587M93Very high87Confident0 Ų027.8 Ų27.80%014%0.139CC..EExtended strand (participates in β ladder)trans-87.5128.9156.5-179.5179.9-7700107.5W531 G577 M578 Y580 V589 F629 V679 A717 I718W531-M587 HydrophobicContact CH2-CB 3.91Å; W531-M587 HydrophobicContact CH2-CE 4.11Å; W531-M587 HydrophobicContact CH2-SD 3.9Å; W531-M587 HydrophobicContact CZ3-CB 3.87Å; G577-M587 CarbonylContact C-O 3.55Å; G577-M587 WeakPolarHBondContact CA-O 3.48Å; M578-M587 HydrophobicContact CE-CB 4.34Å; M578-M587 HydrophobicContact CE-CG 4.25Å; M578-M587 HydrophobicContact CE-SD 3.73Å; M578-M587 PolarHBondContact N-O 3.11Å; M578-M587 PolarHBondContact O-N 2.94Å; Y580-M587 HydrophobicContact CE2-CB 4.04Å; M587-V589 HydrophobicContact CG-CG2 4.13Å; M587-V589 HydrophobicContact SD-CG2 4.08Å; M587-F629 HydrophobicContact CE-CZ 4.48Å; M587-F629 HydrophobicContact SD-CZ 4.45Å; M587-V679 HydrophobicContact CE-CG2 4.1Å; M587-A717 CarbonylContact C-O 3.59Å; M587-A717 WeakPolarHBondContact CA-O 3.47Å; M587-I718 HydrophobicContact CB-CG1 4.24Å; M587-I718 HydrophobicContact CE-CD1 3.86Å; M587-I718 HydrophobicContact CE-CG1 3.94Å; M587-I718 HydrophobicContact CG-CG1 4.27Å
588Y94.6Very high86.6Confident12 Ų1228.2 Ų28.25%0.04714%0.141CC..EExtended strand (participates in β ladder)trans-105.3137.4167.3-69.7-85.1000109.7I575 L576 G577 R586 M614 T617 F716 A717 V719I575-Y588 HydrophobicContact CD1-CD1 4.35Å; I575-Y588 HydrophobicContact CG1-CD1 4.47Å; L576-Y588 CarbonylContact O-C 3.55Å; L576-Y588 VanDerWaalsContact O-CA 3.25Å; L576-Y588 WeakPolarHBondContact O-CA 3.44Å; G577-Y588 VanDerWaalsContact CA-CD1 3.47Å; R586-Y588 HydrophobicContact CB-CD2 4.22Å; R586-Y588 HydrophobicContact CB-CE2 3.82Å; R586-Y588 WeakPolarHBondContact CD-OH 3.38Å; Y588-M614 HydrophobicContact CD1-CB 4.13Å; Y588-M614 HydrophobicContact CD1-CG 3.85Å; Y588-M614 HydrophobicContact CD2-CB 4.17Å; Y588-M614 HydrophobicContact CD2-CE 4.28Å; Y588-M614 HydrophobicContact CD2-CG 3.71Å; Y588-M614 HydrophobicContact CD2-SD 3.86Å; Y588-M614 HydrophobicContact CE1-CB 3.92Å; Y588-M614 HydrophobicContact CE1-CG 4.17Å; Y588-M614 HydrophobicContact CE2-CB 3.95Å; Y588-M614 HydrophobicContact CE2-CG 4.02Å; Y588-M614 HydrophobicContact CE2-SD 4.29Å; Y588-M614 HydrophobicContact CG-CB 4.24Å; Y588-M614 HydrophobicContact CG-CE 4.31Å; Y588-M614 HydrophobicContact CG-CG 3.6Å; Y588-M614 HydrophobicContact CG-SD 4.23Å; Y588-T617 HydrophobicContact CE1-CG2 4.11Å; Y588-F716 CarbonylContact O-C 3.49Å; Y588-F716 WeakPolarHBondContact O-CA 3.36Å; Y588-F716 WeakPolarHBondContact O-CB 3.45Å; Y588-A717 PolarHBondContact N-O 3.01Å; Y588-A717 PolarHBondContact O-N 3.02Å; Y588-V719 HydrophobicContact CD2-CB 4.41Å; Y588-V719 HydrophobicContact CD2-CG2 4.09Å; Y588-V719 HydrophobicContact CE2-CB 4.36Å; Y588-V719 HydrophobicContact CE2-CG2 4.44Å
589V95.4Very high85.9Confident0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-124.2121.3177.8-173.80000107.3I575 L576 M578 M587 I626 F708 F714 F716I575-V589 WeakPolarHBondContact CA-O 3.28Å; I575-V589 WeakPolarHBondContact CG1-O 3.24Å; L576-V589 PolarHBondContact N-O 3.37Å; L576-V589 PolarHBondContact O-N 2.82Å; M578-V589 HydrophobicContact CE-CG2 4.01Å; M587-V589 HydrophobicContact CG-CG2 4.13Å; M587-V589 HydrophobicContact SD-CG2 4.08Å; V589-I626 HydrophobicContact CG1-CD1 4.48Å; V589-I626 HydrophobicContact CG2-CD1 3.88Å; V589-F708 HydrophobicContact CB-CE1 4.26Å; V589-F708 HydrophobicContact CB-CZ 4.07Å; V589-F708 HydrophobicContact CG1-CE1 4.05Å; V589-F708 HydrophobicContact CG1-CZ 3.9Å; V589-F708 WeakPolarHBondContact O-CZ 3.21Å; V589-F714 HydrophobicContact CG1-CB 4.23Å; V589-F714 HydrophobicContact CG1-CD1 4.41Å; V589-F714 HydrophobicContact CG1-CD2 3.56Å; V589-F714 HydrophobicContact CG1-CE2 3.9Å; V589-F714 HydrophobicContact CG1-CG 3.84Å; V589-F714 HydrophobicContact CG1-CZ 4.47Å; V589-F716 HydrophobicContact CG2-CB 4.4Å
590M94.9Very high85.5Confident2 Ų235.7 Ų35.71%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-117.5110.1-174.7-167.6171.7-165.400108.7W573 Q574 I575 M601 L605 L610 A613 L715W573-M590 HydrophobicContact CD2-CE 3.36Å; W573-M590 HydrophobicContact CE3-CE 3.58Å; W573-M590 HydrophobicContact CG-CE 3.93Å; W573-M590 HydrophobicContact CH2-CE 3.84Å; W573-M590 HydrophobicContact CZ2-CE 3.61Å; W573-M590 HydrophobicContact CZ3-CE 3.83Å; Q574-M590 WeakPolarHBondContact O-CA 3.13Å; I575-M590 HydrophobicContact CB-CB 4.46Å; I575-M590 HydrophobicContact CB-CG 4.24Å; I575-M590 HydrophobicContact CD1-CB 4.2Å; I575-M590 HydrophobicContact CD1-CG 4.25Å; I575-M590 HydrophobicContact CD1-SD 4.19Å; I575-M590 HydrophobicContact CG1-CB 4.04Å; I575-M590 HydrophobicContact CG1-CG 4.24Å; M590-M601 HydrophobicContact CB-CE 4.49Å; M590-M601 HydrophobicContact CG-CE 4.04Å; M590-M601 HydrophobicContact CG-SD 4.23Å; M590-M601 HydrophobicContact SD-CE 4.48Å; M590-L605 HydrophobicContact CE-CD1 4.31Å; M590-L605 HydrophobicContact CE-CD2 3.98Å; M590-L605 HydrophobicContact SD-CD1 3.97Å; M590-L605 HydrophobicContact SD-CD2 4.39Å; M590-L610 HydrophobicContact SD-CD1 3.53Å; M590-L610 VanDerWaalsContact SD-CD1 3.53Å; M590-A613 HydrophobicContact CE-CB 3.72Å; M590-A613 HydrophobicContact SD-CB 4.43Å; M590-L715 HydrophobicContact CB-CB 4.35Å; M590-L715 PolarHBondContact N-O 2.95Å; M590-L715 PolarHBondContact O-N 2.87Å
591L95.4Very high85.3Confident3 Ų336 Ų362%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-112.7124.2-168-176.975.5000108.6W573 Q574 F708 T709 A710 F714W573-L591 CarbonylContact C-O 3.49Å; W573-L591 VanDerWaalsContact CA-O 3.3Å; W573-L591 WeakPolarHBondContact CA-O 3.49Å; W573-L591 WeakPolarHBondContact CB-O 3.37Å; Q574-L591 PolarHBondContact N-O 2.8Å; Q574-L591 PolarHBondContact O-N 2.97Å; L591-F708 HydrophobicContact CB-CE2 3.73Å; L591-F708 HydrophobicContact CB-CZ 3.67Å; L591-F708 HydrophobicContact CD2-CE2 4.22Å; L591-F708 HydrophobicContact CD2-CZ 4.25Å; L591-T709 WeakPolarHBondContact CD2-O 3.39Å; L591-A710 HydrophobicContact CD1-CB 4.22Å; L591-F714 HydrophobicContact CD1-CB 3.89Å; L591-F714 HydrophobicContact CD1-CD1 4.42Å
592P93.4Very high85.2Confident1 Ų134.7 Ų34.71%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-64.3164172.526.7-31.1000111.1E572 K594 T597 L598 M601 H712 P713E572-P592 CarbonylContact O-C 3.59Å; P592-K594 PolarHBondContact O-N 2.82Å; P592-T597 WeakPolarHBondContact CB-OG1 3.24Å; P592-L598 HydrophobicContact CG-CB 4.2Å; P592-L598 HydrophobicContact CG-CD1 4.22Å; P592-M601 HydrophobicContact CB-CB 4.47Å; P592-M601 HydrophobicContact CB-SD 4.07Å; P592-H712 PolarHBondContact O-CE1 2.84Å; P592-H712 PolarHBondContact O-NE2 2.98Å; P592-P713 WeakPolarHBondContact CD-O 3.28Å
593K90.6Very high85.1Confident86 Ų8641 Ų4137%0.37420%0.198SC..SBendtrans-77.6-1.1176.9-75.7-77.7-170.4178.10113.5E569 T570 E572 Q574E569-K593 IonicContact OE2-NZ 2.81Å; E569-K593 PolarHBondContact OE2-NZ 2.87Å; T570-K593 WeakPolarHBondContact O-CE 3.45Å; E572-K593 PolarHBondContact O-N 2.78Å; Q574-K593 HydrophobicContact CG-CD 4.09Å; Q574-K593 VanDerWaalsContact NE2-NZ 3.14Å
594K86.1Confident84.9Confident127 Ų12738.7 Ų38.755%0.55220%0.196SC*.SBendtrans-150.8137.8-178.9-65-172.9177.6-170.60112.5P592 S596 T597P592-K594 PolarHBondContact O-N 2.82Å; K594-S596 PolarHBondContact O-N 2.85Å; K594-T597 HydrophobicContact CB-CG2 3.84Å; K594-T597 HydrophobicContact CD-CG2 4.41Å; K594-T597 PolarHBondContact O-N 2.8Å; K594-T597 VanDerWaalsContact O-N 3.16Å; K594-T597 PolarHBondContact O-OG1 2.73Å
595P77.4Confident84.7Confident28 Ų2837.9 Ų37.918%0.18219%0.193CC..G310 helixtrans-48.1-52.9-179.4-31.535.9000115.7Y546 T597 H712Y546-P595 HydrophobicContact CG-CG 4.22Å; P595-T597 PolarHBondContact O-N 3.33Å; P595-H712 VanDerWaalsContact CA-CD2 3.49Å; P595-H712 WeakPolarHBondContact CA-CD2 3.41Å; P595-H712 HydrophobicContact CB-CB 3.74Å; P595-H712 HydrophobicContact CG-CB 3.83Å
596S73.5Confident84.1Confident62 Ų6237.7 Ų37.743%0.43419%0.192SC..G310 helixtrans-74.810.9-174.4-51.80000115E549 K594E549-S596 VanDerWaalsContact CD-OG 3.3Å; E549-S596 WeakPolarHBondContact CG-OG 3.41Å; E549-S596 PolarHBondContact N-OG 3.05Å; E549-S596 VanDerWaalsContact OE2-CB 3.29Å; E549-S596 WeakPolarHBondContact OE2-CB 3.45Å; E549-S596 PolarHBondContact OE2-OG 2.6Å; K594-S596 PolarHBondContact O-N 2.85Å
597T80.6Confident83Confident36 Ų3636.6 Ų36.622%0.22119%0.189CC..G310 helixtrans-116.23-167.864.30000116.5P592 K594 P595 S599 K600 M601P592-T597 WeakPolarHBondContact CB-OG1 3.24Å; K594-T597 HydrophobicContact CB-CG2 3.84Å; K594-T597 HydrophobicContact CD-CG2 4.41Å; K594-T597 PolarHBondContact O-N 2.8Å; K594-T597 VanDerWaalsContact O-N 3.16Å; K594-T597 PolarHBondContact O-OG1 2.73Å; P595-T597 PolarHBondContact O-N 3.33Å; T597-S599 PolarHBondContact O-N 3.25Å; T597-K600 WeakPolarHBondContact O-CB 3.46Å; T597-K600 PolarHBondContact O-N 3.09Å; T597-M601 PolarHBondContact O-N 2.97Å
598L85Confident81.7Confident9 Ų937 Ų375%0.04719%0.191CC..Hα-helixtrans-55.3-50.6-177.9-177.567.7000113.5P592 K600 M601 E602 P713 R731P592-L598 HydrophobicContact CG-CB 4.2Å; P592-L598 HydrophobicContact CG-CD1 4.22Å; L598-K600 PolarHBondContact O-N 3.4Å; L598-M601 HydrophobicContact CD1-CE 3.63Å; L598-M601 WeakPolarHBondContact O-CA 3.33Å; L598-M601 WeakPolarHBondContact O-CB 3.38Å; L598-M601 PolarHBondContact O-N 2.95Å; L598-E602 HydrophobicContact CD1-CG 4.27Å; L598-E602 HydrophobicContact CG-CG 4.29Å; L598-E602 WeakPolarHBondContact CG-OE1 3.32Å; L598-E602 WeakPolarHBondContact O-CG 3.37Å; L598-E602 PolarHBondContact O-N 3.08Å; L598-P713 HydrophobicContact CB-CB 4.18Å; L598-P713 HydrophobicContact CD2-CB 3.57Å; L598-P713 HydrophobicContact CG-CB 4.46Å; L598-R731 HydrophobicContact CD2-CG 3.75Å
599S79.8Confident80.7Confident30 Ų3037.1 Ų37.121%0.2119%0.194CC..Hα-helixtrans-57.6-36177.8175.20000112.3E383 T597 E602 Q603E383-S599 WeakPolarHBondContact OE1-CB 3.4Å; E383-S599 PolarHBondContact OE1-OG 2.76Å; T597-S599 PolarHBondContact O-N 3.25Å; S599-E602 WeakPolarHBondContact CA-OE2 3.38Å; S599-E602 PolarHBondContact O-N 3.2Å; S599-Q603 WeakPolarHBondContact O-CB 3.37Å; S599-Q603 WeakPolarHBondContact O-CG 3.23Å; S599-Q603 PolarHBondContact O-N 3.4Å; S599-Q603 PolarHBondContact OG-NE2 3.15Å
600K81.2Confident79.8Confident143 Ų14337.2 Ų37.262%0.62219%0.194SC*.Hα-helixtrans-70.5-37.1177.5-159.1-174.8-178.5-165.10112.2T597 L598 S604T597-K600 WeakPolarHBondContact O-CB 3.46Å; T597-K600 PolarHBondContact O-N 3.09Å; L598-K600 PolarHBondContact O-N 3.4Å; K600-S604 PolarHBondContact O-N 3.44Å
601M85.3Confident78.9Confident8 Ų837.4 Ų37.44%0.03920%0.195CC..Hα-helixtrans-63.1-47170.6-174.2-168.982.600110.6W573 M590 P592 T597 L598 Q603 S604 L605 L715W573-M601 HydrophobicContact CB-CG 4.35Å; W573-M601 HydrophobicContact CB-SD 3.63Å; W573-M601 HydrophobicContact CG-CG 4.45Å; W573-M601 HydrophobicContact CG-SD 4.14Å; M590-M601 HydrophobicContact CB-CE 4.49Å; M590-M601 HydrophobicContact CG-CE 4.04Å; M590-M601 HydrophobicContact CG-SD 4.23Å; M590-M601 HydrophobicContact SD-CE 4.48Å; P592-M601 HydrophobicContact CB-CB 4.47Å; P592-M601 HydrophobicContact CB-SD 4.07Å; T597-M601 PolarHBondContact O-N 2.97Å; L598-M601 HydrophobicContact CD1-CE 3.63Å; L598-M601 WeakPolarHBondContact O-CA 3.33Å; L598-M601 WeakPolarHBondContact O-CB 3.38Å; L598-M601 PolarHBondContact O-N 2.95Å; M601-Q603 PolarHBondContact O-N 2.94Å; M601-S604 WeakPolarHBondContact O-CB 3.38Å; M601-S604 PolarHBondContact O-N 3.37Å; M601-S604 VanDerWaalsContact O-N 3.09Å; M601-S604 PolarHBondContact O-OG 3.3Å; M601-L605 HydrophobicContact CE-CD1 3.96Å; M601-L605 HydrophobicContact CG-CD1 4.16Å; M601-L605 WeakPolarHBondContact O-CG 3.32Å; M601-L605 PolarHBondContact O-N 2.88Å; M601-L715 HydrophobicContact CE-CB 4.09Å
602E79.3Confident77.9Confident12 Ų1238.1 Ų38.16%0.05620%0.199CC..Hα-helixtrans-63.8-40.3179.9-68.6164155.900112.3Y378 L598 S599 S604 L605 R731Y378-E602 PolarHBondContact OH-OE1 3.2Å; L598-E602 HydrophobicContact CD1-CG 4.27Å; L598-E602 HydrophobicContact CG-CG 4.29Å; L598-E602 WeakPolarHBondContact CG-OE1 3.32Å; L598-E602 WeakPolarHBondContact O-CG 3.37Å; L598-E602 PolarHBondContact O-N 3.08Å; S599-E602 WeakPolarHBondContact CA-OE2 3.38Å; S599-E602 PolarHBondContact O-N 3.2Å; E602-S604 PolarHBondContact O-N 2.97Å; E602-L605 PolarHBondContact O-N 3.38Å; E602-R731 VanDerWaalsContact CD-NE 3.34Å; E602-R731 VanDerWaalsContact CD-NH2 3.31Å; E602-R731 IonicContact OE1-CZ 3.13Å; E602-R731 VanDerWaalsContact OE1-CZ 3.27Å; E602-R731 IonicContact OE1-NE 2.73Å; E602-R731 PolarHBondContact OE1-NE 2.77Å; E602-R731 IonicContact OE1-NH2 3.52Å; E602-R731 PolarHBondContact OE1-NH2 3.34Å; E602-R731 IonicContact OE2-CZ 2.63Å; E602-R731 IonicContact OE2-NE 2.74Å; E602-R731 PolarHBondContact OE2-NE 3.49Å; E602-R731 IonicContact OE2-NH1 3.4Å; E602-R731 PolarHBondContact OE2-NH1 3.45Å; E602-R731 IonicContact OE2-NH2 3.54Å; E602-R731 PolarHBondContact OE2-NH2 2.93Å
603Q73.9Confident77.5Confident132 Ų13238.3 Ų38.362%0.61720%0.2SC*.Hα-helixtrans-62.3-25.7173-72.9168.537.200113.4S599 M601S599-Q603 WeakPolarHBondContact O-CB 3.37Å; S599-Q603 WeakPolarHBondContact O-CG 3.23Å; S599-Q603 PolarHBondContact O-N 3.4Å; S599-Q603 PolarHBondContact OG-NE2 3.15Å; M601-Q603 PolarHBondContact O-N 2.94Å
604S73.1Confident77.3Confident66 Ų6634.4 Ų34.446%0.46218%0.183SC..Hα-helixtrans-83.7-17.8174.379.70000113.7K600 M601 E602K600-S604 PolarHBondContact O-N 3.44Å; M601-S604 WeakPolarHBondContact O-CB 3.38Å; M601-S604 PolarHBondContact O-N 3.37Å; M601-S604 VanDerWaalsContact O-N 3.09Å; M601-S604 PolarHBondContact O-OG 3.3Å; E602-S604 PolarHBondContact O-N 2.97Å
605L73.1Confident77.1Confident9 Ų930.3 Ų30.35%0.04717%0.168CC..  trans-87.7150.1-174.8-77.7168.6000112.6W375 M590 M601 E602 A609 L715W375-L605 HydrophobicContact CH2-CB 3.82Å; W375-L605 HydrophobicContact CH2-CD1 4.24Å; W375-L605 HydrophobicContact CZ2-CB 3.51Å; W375-L605 PolarHBondContact NE1-O 3.29Å; M590-L605 HydrophobicContact CE-CD1 4.31Å; M590-L605 HydrophobicContact CE-CD2 3.98Å; M590-L605 HydrophobicContact SD-CD1 3.97Å; M590-L605 HydrophobicContact SD-CD2 4.39Å; M601-L605 HydrophobicContact CE-CD1 3.96Å; M601-L605 HydrophobicContact CG-CD1 4.16Å; M601-L605 WeakPolarHBondContact O-CG 3.32Å; M601-L605 PolarHBondContact O-N 2.88Å; E602-L605 PolarHBondContact O-N 3.38Å; L605-A609 HydrophobicContact CD2-CB 4.01Å; L605-L715 HydrophobicContact CD1-CD2 4.17Å
606S70Confident77.5Confident0 Ų033 Ų330%018%0.181CC..  trans-116.3164.8151.658.20000107.8T20 E372 K608 A609 L610T20-S606 WeakPolarHBondContact CB-OG 3.33Å; T20-S606 WeakPolarHBondContact OG1-CB 3.34Å; T20-S606 PolarHBondContact OG1-N 3.42Å; T20-S606 PolarHBondContact OG1-OG 2.97Å; E372-S606 WeakPolarHBondContact OE2-CB 3.32Å; S606-K608 PolarHBondContact O-N 3.38Å; S606-A609 PolarHBondContact O-N 2.76Å; S606-A609 VanDerWaalsContact O-N 3.11Å; S606-A609 WeakPolarHBondContact OG-CB 3.34Å; S606-A609 PolarHBondContact OG-N 3.41Å; S606-L610 WeakPolarHBondContact O-CB 3.5Å; S606-L610 PolarHBondContact O-N 2.64Å
607G66.9Low78.3Confident2 Ų230.9 Ų30.92%0.02117%0.165CC..Hα-helixtrans-65.7-24.5170.900000111.9E372 L610 L611E372-G607 WeakPolarHBondContact OE1-CA 3.47Å; E372-G607 VanDerWaalsContact OE2-CA 3.26Å; E372-G607 WeakPolarHBondContact OE2-CA 3.14Å; E372-G607 PolarHBondContact OE2-N 2.69Å; G607-L610 WeakPolarHBondContact O-CB 3.29Å; G607-L611 WeakPolarHBondContact O-CB 3.45Å; G607-L611 WeakPolarHBondContact O-CD1 3.19Å; G607-L611 VanDerWaalsContact O-CG 3.26Å; G607-L611 WeakPolarHBondContact O-CG 3.34Å; G607-L611 PolarHBondContact O-N 2.79Å
608K65.3Low78.9Confident9 Ų937.5 Ų37.54%0.03919%0.186CC..Hα-helixtrans-62.9-51.4165.6178.1177.5-179.9-71.80111.2P350 E372 S606 L610 L611 E612P350-K608 HydrophobicContact CB-CD 4.22Å; P350-K608 HydrophobicContact CG-CD 3.89Å; E372-K608 PolarHBondContact OE1-N 2.71Å; E372-K608 VanDerWaalsContact OE1-N 3.16Å; E372-K608 PolarHBondContact OE2-N 2.81Å; S606-K608 PolarHBondContact O-N 3.38Å; K608-L610 VanDerWaalsContact C-N 3.26Å; K608-L610 PolarHBondContact O-N 2.72Å; K608-L611 PolarHBondContact O-N 3.36Å; K608-E612 WeakPolarHBondContact CE-OE1 3.43Å; K608-E612 IonicContact NZ-OE1 3.32Å; K608-E612 PolarHBondContact NZ-OE1 3.17Å; K608-E612 IonicContact NZ-OE2 2.67Å; K608-E612 PolarHBondContact NZ-OE2 2.88Å; K608-E612 WeakPolarHBondContact O-CB 3.04Å; K608-E612 WeakPolarHBondContact O-CG 3.33Å; K608-E612 PolarHBondContact O-N 3.35Å
609A73.4Confident79.1Confident14 Ų1442 Ų4212%0.11621%0.207CC..Hα-helixtrans-63.6-34.1178.100000112L605 S606 E612 A613L605-A609 HydrophobicContact CD2-CB 4.01Å; S606-A609 PolarHBondContact O-N 2.76Å; S606-A609 VanDerWaalsContact O-N 3.11Å; S606-A609 WeakPolarHBondContact OG-CB 3.34Å; S606-A609 PolarHBondContact OG-N 3.41Å; A609-E612 PolarHBondContact O-N 3.14Å; A609-A613 WeakPolarHBondContact O-CB 3.28Å; A609-A613 PolarHBondContact O-N 2.9Å
610L78.5Confident79.7Confident2 Ų243.6 Ų43.61%0.0121%0.211CC..Hα-helixtrans-63.1-49.6171.817964.4000111.6W375 M590 S606 G607 K608 E612 A613 M614 L715 L726 L729W375-L610 HydrophobicContact CE3-CD2 4.33Å; W375-L610 HydrophobicContact CZ3-CD2 4Å; M590-L610 HydrophobicContact SD-CD1 3.53Å; M590-L610 VanDerWaalsContact SD-CD1 3.53Å; S606-L610 WeakPolarHBondContact O-CB 3.5Å; S606-L610 PolarHBondContact O-N 2.64Å; G607-L610 WeakPolarHBondContact O-CB 3.29Å; K608-L610 VanDerWaalsContact C-N 3.26Å; K608-L610 PolarHBondContact O-N 2.72Å; L610-E612 VanDerWaalsContact C-N 3.31Å; L610-E612 PolarHBondContact O-N 3.49Å; L610-A613 WeakPolarHBondContact O-CB 3.11Å; L610-A613 PolarHBondContact O-N 3.19Å; L610-M614 HydrophobicContact CD1-CE 3.64Å; L610-M614 HydrophobicContact CD2-CE 4Å; L610-M614 HydrophobicContact CG-CE 3.51Å; L610-M614 HydrophobicContact CG-SD 4.42Å; L610-M614 VanDerWaalsContact O-CG 3.26Å; L610-M614 WeakPolarHBondContact O-CG 3.48Å; L610-M614 PolarHBondContact O-N 3.41Å; L610-L715 HydrophobicContact CD1-CD2 3.63Å; L610-L715 HydrophobicContact CD2-CD2 4.08Å; L610-L715 HydrophobicContact CG-CD2 4.48Å; L610-L726 HydrophobicContact CD2-CD1 4.29Å; L610-L729 HydrophobicContact CD2-CD1 3.79Å
611L74.1Confident80.1Confident6 Ų641 Ų413%0.03120%0.201CC..Hα-helixtrans-65-34.7176.2-74.7157.8000111.4S185 G607 K608 M614 N615 L726S185-L611 VanDerWaalsContact OG-CD1 3.32Å; S185-L611 WeakPolarHBondContact OG-CD1 3.39Å; G607-L611 WeakPolarHBondContact O-CB 3.45Å; G607-L611 WeakPolarHBondContact O-CD1 3.19Å; G607-L611 VanDerWaalsContact O-CG 3.26Å; G607-L611 WeakPolarHBondContact O-CG 3.34Å; G607-L611 PolarHBondContact O-N 2.79Å; K608-L611 PolarHBondContact O-N 3.36Å; L611-M614 HydrophobicContact CD2-SD 4.1Å; L611-M614 PolarHBondContact O-N 2.77Å; L611-N615 VanDerWaalsContact O-CB 3.32Å; L611-N615 WeakPolarHBondContact O-CB 3.46Å; L611-N615 PolarHBondContact O-N 3.31Å; L611-N615 PolarHBondContact O-ND2 3.28Å; L611-L726 HydrophobicContact CD1-CD1 4.43Å; L611-L726 HydrophobicContact CD2-CD1 4.22Å; L611-L726 HydrophobicContact CG-CD1 4.28Å
612E75.9Confident80.4Confident19 Ų1940.6 Ų40.69%0.08920%0.199CC..Hα-helixtrans-66.5-41170.6-74.8175.8149.100112F233 K608 A609 L610 M614 N615 N616F233-E612 VanDerWaalsContact O-OE1 3.09Å; K608-E612 WeakPolarHBondContact CE-OE1 3.43Å; K608-E612 IonicContact NZ-OE1 3.32Å; K608-E612 PolarHBondContact NZ-OE1 3.17Å; K608-E612 IonicContact NZ-OE2 2.67Å; K608-E612 PolarHBondContact NZ-OE2 2.88Å; K608-E612 WeakPolarHBondContact O-CB 3.04Å; K608-E612 WeakPolarHBondContact O-CG 3.33Å; K608-E612 PolarHBondContact O-N 3.35Å; A609-E612 PolarHBondContact O-N 3.14Å; L610-E612 VanDerWaalsContact C-N 3.31Å; L610-E612 PolarHBondContact O-N 3.49Å; E612-M614 VanDerWaalsContact C-N 3.33Å; E612-M614 PolarHBondContact O-N 3.08Å; E612-N615 PolarHBondContact O-N 3.45Å; E612-N616 WeakPolarHBondContact O-CB 3.33Å; E612-N616 PolarHBondContact O-N 3.25Å; E612-N616 PolarHBondContact O-ND2 3.3Å
613A84.6Confident81Confident5 Ų542.5 Ų42.54%0.04121%0.208CC..Hα-helixtrans-60.2-43.417400000111.5W573 I575 M590 A609 L610W573-A613 HydrophobicContact CH2-CB 3.59Å; W573-A613 HydrophobicContact CZ2-CB 4.15Å; W573-A613 HydrophobicContact CZ3-CB 4.14Å; I575-A613 HydrophobicContact CD1-CB 3.99Å; M590-A613 HydrophobicContact CE-CB 3.72Å; M590-A613 HydrophobicContact SD-CB 4.43Å; A609-A613 WeakPolarHBondContact O-CB 3.28Å; A609-A613 PolarHBondContact O-N 2.9Å; L610-A613 WeakPolarHBondContact O-CB 3.11Å; L610-A613 PolarHBondContact O-N 3.19Å
614M86.5Confident82Confident3 Ų336.2 Ų36.22%0.01518%0.178CC..Hα-helixtrans-62.2-48.8174.2-65.9167-178.100112.3I575 Y588 L610 L611 E612 N616 T617 A717 V719I575-M614 HydrophobicContact CD1-CG 3.91Å; Y588-M614 HydrophobicContact CD1-CB 4.13Å; Y588-M614 HydrophobicContact CD1-CG 3.85Å; Y588-M614 HydrophobicContact CD2-CB 4.17Å; Y588-M614 HydrophobicContact CD2-CE 4.28Å; Y588-M614 HydrophobicContact CD2-CG 3.71Å; Y588-M614 HydrophobicContact CD2-SD 3.86Å; Y588-M614 HydrophobicContact CE1-CB 3.92Å; Y588-M614 HydrophobicContact CE1-CG 4.17Å; Y588-M614 HydrophobicContact CE2-CB 3.95Å; Y588-M614 HydrophobicContact CE2-CG 4.02Å; Y588-M614 HydrophobicContact CE2-SD 4.29Å; Y588-M614 HydrophobicContact CG-CB 4.24Å; Y588-M614 HydrophobicContact CG-CE 4.31Å; Y588-M614 HydrophobicContact CG-CG 3.6Å; Y588-M614 HydrophobicContact CG-SD 4.23Å; L610-M614 HydrophobicContact CD1-CE 3.64Å; L610-M614 HydrophobicContact CD2-CE 4Å; L610-M614 HydrophobicContact CG-CE 3.51Å; L610-M614 HydrophobicContact CG-SD 4.42Å; L610-M614 VanDerWaalsContact O-CG 3.26Å; L610-M614 WeakPolarHBondContact O-CG 3.48Å; L610-M614 PolarHBondContact O-N 3.41Å; L611-M614 HydrophobicContact CD2-SD 4.1Å; L611-M614 PolarHBondContact O-N 2.77Å; E612-M614 VanDerWaalsContact C-N 3.33Å; E612-M614 PolarHBondContact O-N 3.08Å; M614-N616 VanDerWaalsContact C-N 3.29Å; M614-N616 PolarHBondContact O-N 2.93Å; M614-T617 WeakPolarHBondContact O-CB 3.47Å; M614-T617 WeakPolarHBondContact O-CG2 3.44Å; M614-T617 PolarHBondContact O-N 3.24Å; M614-T617 PolarHBondContact O-OG1 3.44Å; M614-A717 HydrophobicContact CE-CB 3.64Å; M614-V719 HydrophobicContact CE-CG2 4.34Å; M614-V719 HydrophobicContact SD-CG2 3.91Å
615N80.9Confident83.1Confident42 Ų4233.7 Ų33.723%0.22516%0.16CC..Hα-helixtrans-68.2-27-177.6-68.9-35.1000113.1E186 L611 E612 T617 K724E186-N615 WeakPolarHBondContact CB-ND2 3.27Å; L611-N615 VanDerWaalsContact O-CB 3.32Å; L611-N615 WeakPolarHBondContact O-CB 3.46Å; L611-N615 PolarHBondContact O-N 3.31Å; L611-N615 PolarHBondContact O-ND2 3.28Å; E612-N615 PolarHBondContact O-N 3.45Å; N615-T617 VanDerWaalsContact C-N 3.27Å; N615-T617 PolarHBondContact O-N 3.17Å; N615-K724 PolarHBondContact OD1-NZ 2.86Å
616N87.6Confident84.1Confident85 Ų8533.2 Ų33.246%0.45516%0.158SC..THydrogen-bonded Turntrans-80.9-1176.1-77.2-66.5000113.9E612 M614E612-N616 WeakPolarHBondContact O-CB 3.33Å; E612-N616 PolarHBondContact O-N 3.25Å; E612-N616 PolarHBondContact O-ND2 3.3Å; M614-N616 VanDerWaalsContact C-N 3.29Å; M614-N616 PolarHBondContact O-N 2.93Å
617T90.2Very high85.3Confident17 Ų1733.2 Ų33.210%0.10416%0.158CC..  trans-67.3147.4175.159.30000113Y567 N568 I575 Y588 M614 N615Y567-T617 WeakPolarHBondContact O-CA 3.47Å; N568-T617 HydrophobicContact CB-CG2 4.16Å; I575-T617 HydrophobicContact CG2-CG2 3.76Å; Y588-T617 HydrophobicContact CE1-CG2 4.11Å; M614-T617 WeakPolarHBondContact O-CB 3.47Å; M614-T617 WeakPolarHBondContact O-CG2 3.44Å; M614-T617 PolarHBondContact O-N 3.24Å; M614-T617 PolarHBondContact O-OG1 3.44Å; N615-T617 VanDerWaalsContact C-N 3.27Å; N615-T617 PolarHBondContact O-N 3.17Å
618R91.4Very high86.4Confident174 Ų17436.3 Ų36.366%0.65717%0.171SC*.EExtended strand (participates in β ladder)trans-128.5150.3-179-55.7-178.6-174.8-146.2-3.6109.3Y566 Y567 E620Y566-R618 CarbonylContact C-O 3.52Å; Y566-R618 WeakPolarHBondContact CA-O 3.45Å; Y567-R618 PolarHBondContact N-O 2.84Å; Y567-R618 PolarHBondContact O-N 3.45Å; R618-E620 HydrophobicContact CB-CG 4.5Å; R618-E620 PolarHBondContact O-N 2.61Å
619Q91Very high87.5Confident105 Ų10536.1 Ų36.149%0.49117%0.17SC..EExtended strand (participates in β ladder)trans-66.7120.5169.9-73.9-175-107.700109.4E564 F565 Y566E564-Q619 PolarHBondContact OE2-NE2 3.03Å; F565-Q619 WeakPolarHBondContact O-CA 3.49Å; Y566-Q619 HydrophobicContact CD1-CG 4.47Å; Y566-Q619 HydrophobicContact CD2-CG 4.39Å; Y566-Q619 HydrophobicContact CE1-CG 4.14Å; Y566-Q619 HydrophobicContact CE2-CG 4.02Å
620E90.9Very high87.9Confident62 Ų6239.2 Ų39.229%0.2918%0.181SC..EExtended strand (participates in β ladder)trans-138.4155.8178.4-66.3-84.4-147.700108.1E564 F565 R618 V622 Y706E564-E620 WeakPolarHBondContact CA-O 3.47Å; F565-E620 PolarHBondContact N-O 2.81Å; F565-E620 PolarHBondContact O-N 3.11Å; R618-E620 HydrophobicContact CB-CG 4.5Å; R618-E620 PolarHBondContact O-N 2.61Å; E620-V622 HydrophobicContact CB-CG2 4.24Å; E620-Y706 HydrophobicContact CB-CD2 3.98Å; E620-Y706 HydrophobicContact CB-CE2 3.81Å; E620-Y706 HydrophobicContact CG-CD2 4.41Å; E620-Y706 HydrophobicContact CG-CE2 3.78Å; E620-Y706 WeakPolarHBondContact OE1-CE2 3.48Å; E620-Y706 PolarHBondContact OE1-OH 3.4Å; E620-Y706 WeakPolarHBondContact OE2-CE2 3.41Å
621E89.8Confident87.6Confident88 Ų8839.4 Ų39.441%0.41118%0.181SC..EExtended strand (participates in β ladder)trans-83.5114.2175.7-169171-143.400109
622V91.4Very high87.6Confident1 Ų143.4 Ų43.41%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-128.7136.4-170-1720000110.8D563 F565 Y567 L576 E620 V624 F708D563-V622 PolarHBondContact O-N 3.08Å; F565-V622 HydrophobicContact CB-CB 4.46Å; F565-V622 HydrophobicContact CB-CG2 4.37Å; F565-V622 HydrophobicContact CD2-CB 4.26Å; Y567-V622 HydrophobicContact CD2-CG1 4.38Å; Y567-V622 HydrophobicContact CD2-CG2 4.07Å; Y567-V622 HydrophobicContact CG-CG2 3.95Å; L576-V622 HydrophobicContact CD1-CG1 4.22Å; E620-V622 HydrophobicContact CB-CG2 4.24Å; V622-V624 HydrophobicContact CB-CG2 4.34Å; V622-V624 HydrophobicContact CG1-CG2 4.03Å; V622-F708 HydrophobicContact CG1-CB 4Å
623Q92.7Very high87.6Confident51 Ų5145.6 Ų45.624%0.23821%0.208CC..EExtended strand (participates in β ladder)trans-82.3121.7162.4174.3171-2.200109.4T561 Y706 V707 F708T561-Q623 HydrophobicContact CG2-CB 4.48Å; T561-Q623 HydrophobicContact CG2-CG 3.86Å; Q623-Y706 PolarHBondContact N-O 3.22Å; Q623-Y706 VanDerWaalsContact N-O 3.17Å; Q623-V707 HydrophobicContact CB-CG1 4.44Å; Q623-V707 HydrophobicContact CB-CG2 4.39Å; Q623-V707 HydrophobicContact CG-CG1 4.46Å; Q623-F708 PolarHBondContact O-N 2.82Å
624V94.8Very high87.4Confident0 Ų048.2 Ų48.20%022%0.219CC..EExtended strand (participates in β ladder)trans-112.7131.3-176.2177.50000110.5F535 Q559 Q560 F565 L576 V622 I626 F708F535-V624 HydrophobicContact CE1-CG1 4.21Å; F535-V624 HydrophobicContact CZ-CG1 4.07Å; Q559-V624 WeakPolarHBondContact CA-O 3.37Å; Q560-V624 PolarHBondContact N-O 3.03Å; Q560-V624 PolarHBondContact O-N 2.83Å; F565-V624 HydrophobicContact CD1-CG2 4.42Å; F565-V624 HydrophobicContact CD2-CG2 3.56Å; F565-V624 HydrophobicContact CE1-CG2 4.35Å; F565-V624 HydrophobicContact CE2-CB 4.2Å; F565-V624 HydrophobicContact CE2-CG2 3.47Å; F565-V624 VanDerWaalsContact CE2-CG2 3.47Å; F565-V624 HydrophobicContact CG-CG2 4.04Å; F565-V624 HydrophobicContact CZ-CB 4.36Å; F565-V624 HydrophobicContact CZ-CG2 3.9Å; L576-V624 HydrophobicContact CD1-CG2 3.86Å; L576-V624 HydrophobicContact CD2-CB 4.31Å; L576-V624 HydrophobicContact CD2-CG1 3.61Å; L576-V624 HydrophobicContact CD2-CG2 3.65Å; L576-V624 HydrophobicContact CG-CG2 4.42Å; V622-V624 HydrophobicContact CB-CG2 4.34Å; V622-V624 HydrophobicContact CG1-CG2 4.03Å; V624-I626 HydrophobicContact CG1-CG2 4.36Å; V624-F708 WeakPolarHBondContact CA-O 3.48Å
625T95.5Very high86.9Confident13 Ų1348.5 Ų48.58%0.0822%0.22CC..EExtended strand (participates in β ladder)trans-128.4124.3166.1-57.50000108.5M557 M558 Q559 F708 T709 A710M557-T625 HydrophobicContact CB-CG2 3.98Å; M557-T625 HydrophobicContact CG-CG2 4.34Å; M557-T625 HydrophobicContact SD-CG2 4.23Å; M558-T625 WeakPolarHBondContact O-CA 3.33Å; Q559-T625 HydrophobicContact CG-CG2 4.04Å; T625-F708 PolarHBondContact N-O 3.16Å; T625-T709 HydrophobicContact CG2-CG2 4.25Å; T625-T709 WeakPolarHBondContact O-CA 3.21Å; T625-A710 PolarHBondContact O-N 3.01Å
626I95Very high86.9Confident0 Ų049.4 Ų49.40%023%0.229CC..EExtended strand (participates in β ladder)trans-146.6138.7-178-169.6178.2000110.3F535 M558 M578 V589 V624 F629 A710F535-I626 HydrophobicContact CE1-CG2 4.12Å; F535-I626 HydrophobicContact CZ-CG2 3.72Å; M558-I626 HydrophobicContact CB-CG2 4.4Å; M558-I626 HydrophobicContact CE-CG2 3.72Å; M558-I626 PolarHBondContact N-O 2.61Å; M558-I626 PolarHBondContact O-N 3.33Å; M578-I626 HydrophobicContact CE-CD1 3.77Å; M578-I626 HydrophobicContact SD-CD1 4.42Å; V589-I626 HydrophobicContact CG1-CD1 4.48Å; V589-I626 HydrophobicContact CG2-CD1 3.88Å; V624-I626 HydrophobicContact CG1-CG2 4.36Å; I626-F629 HydrophobicContact CD1-CE1 4.38Å; I626-A710 HydrophobicContact CB-CB 4.42Å; I626-A710 HydrophobicContact CG1-CB 4.11Å
627P94.1Very high86.8Confident0 Ų045.4 Ų45.40%021%0.208CC..EExtended strand (participates in β ladder)trans-65.3151.3177.824.2-33.3000112.2F545 L555 P556 M557 F629 A710 F714 F732F545-P627 HydrophobicContact CE2-CG 4.45Å; L555-P627 HydrophobicContact CB-CB 4.36Å; L555-P627 HydrophobicContact CD1-CB 3.75Å; L555-P627 HydrophobicContact CD1-CG 4.3Å; P556-P627 CarbonylContact O-C 3.19Å; P556-P627 WeakPolarHBondContact O-CA 3.27Å; M557-P627 HydrophobicContact SD-CB 3.87Å; M557-P627 HydrophobicContact SD-CG 4.31Å; P627-F629 HydrophobicContact CG-CD1 4.39Å; P627-F629 VanDerWaalsContact O-CD1 3.28Å; P627-F629 WeakPolarHBondContact O-CD1 3.39Å; P627-A710 WeakPolarHBondContact CD-O 3.48Å; P627-F714 HydrophobicContact CG-CE1 3.94Å; P627-F714 HydrophobicContact CG-CZ 4.29Å; P627-F732 HydrophobicContact CB-CE1 4.4Å; P627-F732 HydrophobicContact CG-CD1 4.3Å; P627-F732 HydrophobicContact CG-CE1 3.72Å; P627-F732 HydrophobicContact CG-CZ 4.38Å
628K90.8Very high86.5Confident66 Ų6646.8 Ų46.829%0.28722%0.215SC..  trans-70.4133.8156.5-59.5-177.176.5159.10107.9T540 P556 M558 V679 E681T540-K628 HydrophobicContact CG2-CD 3.97Å; P556-K628 HydrophobicContact CB-CB 4.35Å; P556-K628 HydrophobicContact CB-CD 3.98Å; P556-K628 HydrophobicContact CB-CG 4.23Å; P556-K628 PolarHBondContact O-N 2.78Å; M558-K628 HydrophobicContact CG-CD 4.18Å; M558-K628 HydrophobicContact CG-CG 3.44Å; M558-K628 VanDerWaalsContact CG-CG 3.44Å; M558-K628 HydrophobicContact SD-CD 4.46Å; M558-K628 HydrophobicContact SD-CG 3.7Å; K628-V679 WeakPolarHBondContact CA-O 3.49Å; K628-E681 WeakPolarHBondContact CD-OE1 3.39Å; K628-E681 WeakPolarHBondContact CE-OE1 3.3Å; K628-E681 VanDerWaalsContact CE-OE2 3.24Å; K628-E681 WeakPolarHBondContact CE-OE2 3.39Å; K628-E681 IonicContact NZ-OE1 2.7Å; K628-E681 PolarHBondContact NZ-OE1 3.06Å; K628-E681 IonicContact NZ-OE2 2.64Å; K628-E681 PolarHBondContact NZ-OE2 2.98Å
629F87.7Confident85.8Confident5 Ų542.2 Ų42.22%0.02221%0.206CC..EExtended strand (participates in β ladder)trans-150.5144.2179.361.9-97000113.3M587 I626 P627 F631 I677 V679 F714 F716 F732M587-F629 HydrophobicContact CE-CZ 4.48Å; M587-F629 HydrophobicContact SD-CZ 4.45Å; I626-F629 HydrophobicContact CD1-CE1 4.38Å; P627-F629 HydrophobicContact CG-CD1 4.39Å; P627-F629 VanDerWaalsContact O-CD1 3.28Å; P627-F629 WeakPolarHBondContact O-CD1 3.39Å; F629-F631 AromaticContact CD2-CD2 3.65Å; F629-F631 HydrophobicContact CD2-CD2 3.65Å; F629-F631 AromaticContact CD2-CE2 3.63Å; F629-F631 HydrophobicContact CD2-CE2 3.63Å; F629-F631 HydrophobicContact CE2-CD2 4Å; F629-F631 AromaticContact CE2-CE2 3.92Å; F629-F631 HydrophobicContact CE2-CE2 3.92Å; F629-I677 HydrophobicContact CE2-CD1 4.24Å; F629-V679 HydrophobicContact CD1-CB 4.38Å; F629-V679 HydrophobicContact CD2-CB 4.2Å; F629-V679 HydrophobicContact CD2-CG2 3.93Å; F629-V679 HydrophobicContact CE1-CB 4.25Å; F629-V679 HydrophobicContact CE1-CG1 4.15Å; F629-V679 HydrophobicContact CE1-CG2 4.43Å; F629-V679 HydrophobicContact CE2-CB 4.1Å; F629-V679 HydrophobicContact CE2-CG2 3.52Å; F629-V679 HydrophobicContact CG-CB 4.36Å; F629-V679 HydrophobicContact CZ-CB 4.12Å; F629-V679 HydrophobicContact CZ-CG1 4.18Å; F629-V679 HydrophobicContact CZ-CG2 3.8Å; F629-V679 PolarHBondContact N-O 3.23Å; F629-V679 WeakPolarHBondContact O-CB 3.32Å; F629-V679 PolarHBondContact O-N 2.89Å; F629-F714 HydrophobicContact CD1-CZ 4.14Å; F629-F714 HydrophobicContact CE1-CE2 4.13Å; F629-F714 AromaticContact CE1-CZ 3.72Å; F629-F714 HydrophobicContact CE1-CZ 3.72Å; F629-F714 HydrophobicContact CZ-CE2 4.27Å; F629-F714 HydrophobicContact CZ-CZ 4.31Å; F629-F716 HydrophobicContact CE2-CE1 4.29Å; F629-F716 HydrophobicContact CE2-CE2 4.36Å; F629-F716 HydrophobicContact CE2-CZ 4.1Å; F629-F732 HydrophobicContact CB-CD2 4.07Å; F629-F732 HydrophobicContact CB-CE2 3.56Å; F629-F732 HydrophobicContact CB-CZ 3.97Å; F629-F732 HydrophobicContact CD2-CD2 4.45Å; F629-F732 HydrophobicContact CG-CD2 4.18Å; F629-F732 HydrophobicContact CG-CE2 4.16Å
630K82.2Confident85.3Confident79 Ų7937.6 Ų37.634%0.34319%0.185SC..EExtended strand (participates in β ladder)trans-117.1131.8178-172.9178.2-169.1127.10109.8D678K630-D678 WeakPolarHBondContact CB-OD1 3.22Å; K630-D678 VanDerWaalsContact CD-OD2 3.32Å; K630-D678 WeakPolarHBondContact CD-OD2 3.35Å; K630-D678 VanDerWaalsContact CE-OD2 3.24Å; K630-D678 WeakPolarHBondContact CE-OD2 3.34Å; K630-D678 HydrophobicContact CG-CB 4.32Å; K630-D678 IonicContact NZ-OD2 2.65Å; K630-D678 PolarHBondContact NZ-OD2 3.18Å
631F72.6Confident84.9Confident6 Ų634.6 Ų34.63%0.02617%0.171CC..EExtended strand (participates in β ladder)trans-120.7122.8169.8-82.9-94000110N385 L387 F629 F676 I677 F716 R731 F732N385-F631 HydrophobicContact CB-CE1 3.81Å; N385-F631 HydrophobicContact CB-CZ 4.49Å; N385-F631 WeakPolarHBondContact OD1-CZ 3.06Å; L387-F631 HydrophobicContact CB-CB 4.4Å; L387-F631 HydrophobicContact CB-CD1 3.85Å; L387-F631 HydrophobicContact CB-CE1 4.35Å; L387-F631 HydrophobicContact CB-CG 4.23Å; L387-F631 HydrophobicContact CD2-CB 3.49Å; L387-F631 VanDerWaalsContact CD2-CB 3.49Å; L387-F631 HydrophobicContact CD2-CD1 4.44Å; L387-F631 HydrophobicContact CD2-CG 4Å; F629-F631 AromaticContact CD2-CD2 3.65Å; F629-F631 HydrophobicContact CD2-CD2 3.65Å; F629-F631 AromaticContact CD2-CE2 3.63Å; F629-F631 HydrophobicContact CD2-CE2 3.63Å; F629-F631 HydrophobicContact CE2-CD2 4Å; F629-F631 AromaticContact CE2-CE2 3.92Å; F629-F631 HydrophobicContact CE2-CE2 3.92Å; F631-F676 WeakPolarHBondContact O-CA 3.48Å; F631-I677 HydrophobicContact CB-CG1 3.89Å; F631-I677 HydrophobicContact CD2-CD1 4.34Å; F631-I677 HydrophobicContact CD2-CG1 4.41Å; F631-I677 PolarHBondContact N-O 2.7Å; F631-I677 PolarHBondContact O-N 3.33Å; F631-F716 HydrophobicContact CD2-CE1 4.38Å; F631-F716 AromaticContact CD2-CZ 3.92Å; F631-F716 HydrophobicContact CD2-CZ 3.92Å; F631-F716 AromaticContact CE2-CE1 3.58Å; F631-F716 HydrophobicContact CE2-CE1 3.58Å; F631-F716 AromaticContact CE2-CZ 3.58Å; F631-F716 HydrophobicContact CE2-CZ 3.58Å; F631-F716 AromaticContact CZ-CE1 3.84Å; F631-F716 HydrophobicContact CZ-CE1 3.84Å; F631-F716 HydrophobicContact CZ-CZ 4.07Å; F631-R731 WeakPolarHBondContact CZ-O 3.3Å; F631-F732 HydrophobicContact CE2-CB 4.4Å; F631-F732 AromaticContact CE2-CD2 3.73Å; F631-F732 HydrophobicContact CE2-CD2 3.73Å; F631-F732 HydrophobicContact CZ-CB 4.31Å; F631-F732 AromaticContact CZ-CD2 3.87Å; F631-F732 HydrophobicContact CZ-CD2 3.87Å
632E72.9Confident84.6Confident90 Ų9033.3 Ų33.342%0.42117%0.17SC..EExtended strand (participates in β ladder)trans-115.5114.1151-172.1-175.7144.900106.4K674 T675 F676E632-K674 WeakPolarHBondContact OE1-CE 3.27Å; E632-K674 IonicContact OE1-NZ 3.06Å; E632-K674 PolarHBondContact OE1-NZ 3.49Å; E632-T675 WeakPolarHBondContact CA-O 3.24Å; E632-F676 HydrophobicContact CB-CD2 4.2Å; E632-F676 HydrophobicContact CG-CD2 4.3Å
633R77.3Confident83.9Confident66 Ų6639.8 Ų39.825%0.24920%0.198CC..EExtended strand (participates in β ladder)trans-129.4123.8-178.6-170.767-179.7-174.4-2.8110.9N385 L387 K674 T675N385-R633 VanDerWaalsContact O-CZ 3.24Å; N385-R633 PolarHBondContact O-NE 3.4Å; L387-R633 HydrophobicContact CB-CB 4.14Å; R633-K674 CarbonylContact O-C 3.55Å; R633-K674 WeakPolarHBondContact O-CA 3.41Å; R633-T675 PolarHBondContact N-O 3.26Å; R633-T675 PolarHBondContact O-N 2.91Å; R633-T675 PolarHBondContact O-OG1 3.13Å
634Q79.6Confident82.9Confident59 Ų5939.5 Ų39.528%0.27620%0.198SC..EExtended strand (participates in β ladder)trans-103.4148171.3-173.3168.1-39.200110.3I509 H673 K674I509-Q634 PolarHBondContact O-NE2 2.79Å; Q634-H673 CarbonylContact C-O 3.53Å; Q634-H673 WeakPolarHBondContact CA-O 3.32Å; Q634-K674 HydrophobicContact CB-CD 3.9Å; Q634-K674 HydrophobicContact CB-CG 4.12Å; Q634-K674 HydrophobicContact CG-CD 4.17Å
635M76.7Confident82.1Confident10 Ų1041.3 Ų41.35%0.04922%0.216CC..EExtended strand (participates in β ladder)trans-139.4131.6176.6-51.7168.981.100109.3E381 F388 L637 H673E381-M635 HydrophobicContact CG-CE 3.46Å; E381-M635 VanDerWaalsContact CG-CE 3.46Å; E381-M635 WeakPolarHBondContact OE1-CE 3.39Å; E381-M635 WeakPolarHBondContact OE2-CE 3.29Å; F388-M635 HydrophobicContact CB-CE 4.45Å; F388-M635 HydrophobicContact CB-SD 3.53Å; F388-M635 VanDerWaalsContact CB-SD 3.53Å; F388-M635 HydrophobicContact CG-SD 4.32Å; M635-L637 HydrophobicContact CB-CD2 3.71Å; M635-L637 HydrophobicContact CB-CG 4.24Å; M635-L637 HydrophobicContact CE-CD2 3.67Å; M635-L637 HydrophobicContact CG-CD2 4.48Å; M635-L637 HydrophobicContact SD-CD2 3.99Å; M635-H673 HydrophobicContact CB-CB 4.45Å; M635-H673 PolarHBondContact N-O 3.41Å; M635-H673 PolarHBondContact O-N 2.82Å
636C81.4Confident81.7Confident61 Ų6140.7 Ų40.741%0.41221%0.213SC..EExtended strand (participates in β ladder)trans-87.8113.9157.3-59.90000106.3D638 L672C636-D638 WeakPolarHBondContact CB-OD1 3.47Å; C636-L672 VanDerWaalsContact SG-CD2 3.58Å
637L84.6Confident81.5Confident1 Ų142.7 Ų42.71%0.00523%0.229CC..  trans-89.8-5.4-173.1-62.2178.8000113L377 V393 M635 T639 S640 L641 V671 H673L377-L637 HydrophobicContact CD2-CD2 4.38Å; V393-L637 HydrophobicContact CB-CD1 4.31Å; V393-L637 HydrophobicContact CG1-CD1 3.51Å; V393-L637 HydrophobicContact CG2-CD1 3.73Å; M635-L637 HydrophobicContact CB-CD2 3.71Å; M635-L637 HydrophobicContact CB-CG 4.24Å; M635-L637 HydrophobicContact CE-CD2 3.67Å; M635-L637 HydrophobicContact CG-CD2 4.48Å; M635-L637 HydrophobicContact SD-CD2 3.99Å; L637-T639 VanDerWaalsContact C-N 3.29Å; L637-T639 PolarHBondContact O-N 2.96Å; L637-S640 PolarHBondContact O-N 3.2Å; L637-L641 HydrophobicContact CB-CD1 3.44Å; L637-L641 VanDerWaalsContact CB-CD1 3.44Å; L637-L641 HydrophobicContact CB-CG 4.02Å; L637-L641 WeakPolarHBondContact O-CB 3.41Å; L637-L641 VanDerWaalsContact O-CD1 3.28Å; L637-L641 WeakPolarHBondContact O-CD1 3.43Å; L637-L641 WeakPolarHBondContact O-CG 3.39Å; L637-L641 PolarHBondContact O-N 3.23Å; L637-V671 HydrophobicContact CB-CB 4.2Å; L637-V671 HydrophobicContact CB-CG1 4.04Å; L637-V671 HydrophobicContact CD1-CG1 4.12Å; L637-V671 HydrophobicContact CG-CG1 4.49Å; L637-V671 PolarHBondContact N-O 2.88Å; L637-H673 HydrophobicContact CD1-CB 3.72Å; L637-H673 HydrophobicContact CG-CB 4.12Å
638D83Confident81.6Confident46 Ų4643.5 Ų43.525%0.24623%0.233CC..Hα-helixtrans-48.4-47.8179.366.3-58.3000112.8C636 T642 F650C636-D638 WeakPolarHBondContact CB-OD1 3.47Å; D638-T642 VanDerWaalsContact O-CB 3.24Å; D638-T642 WeakPolarHBondContact O-CB 3.41Å; D638-T642 PolarHBondContact O-N 3.37Å; D638-T642 PolarHBondContact O-OG1 3.1Å; D638-F650 HydrophobicContact CB-CD1 4.14Å; D638-F650 HydrophobicContact CB-CE1 3.82Å; D638-F650 HydrophobicContact CB-CZ 4.21Å
639T77.9Confident81.8Confident77 Ų7740.4 Ų40.447%0.47222%0.22SC..Hα-helixtrans-72.5-46.2-177.8-67.40000111.3L637 L641 T642 K643L637-T639 VanDerWaalsContact C-N 3.29Å; L637-T639 PolarHBondContact O-N 2.96Å; T639-L641 PolarHBondContact O-N 3.27Å; T639-T642 PolarHBondContact O-N 3.17Å; T639-K643 WeakPolarHBondContact O-CG 3.23Å; T639-K643 PolarHBondContact O-N 3.35Å
640S79.5Confident82.2Confident8 Ų841.9 Ų41.96%0.05623%0.226CC..Hα-helixtrans-65-39.3178.3-57.90000111.5L380 E381 L637 K643 L644L380-S640 WeakPolarHBondContact CD1-O 3.3Å; E381-S640 PolarHBondContact OE1-OG 3.15Å; L637-S640 PolarHBondContact O-N 3.2Å; S640-K643 WeakPolarHBondContact O-CB 3.27Å; S640-K643 PolarHBondContact O-N 3.42Å; S640-L644 WeakPolarHBondContact O-CG 3.33Å; S640-L644 PolarHBondContact O-N 2.96Å; S640-L644 VanDerWaalsContact O-N 3.09Å
641L83.5Confident82.7Confident0 Ų040.1 Ų40.10%022%0.221CC..Hα-helixtrans-72-34.9177.2-66.1162.5000112.4L377 L397 V415 L637 T639 L644 G645 M646 F650 V671L377-L641 HydrophobicContact CD1-CD2 4.14Å; L397-L641 HydrophobicContact CD1-CD1 4.36Å; L397-L641 HydrophobicContact CD1-CD2 3.6Å; L397-L641 HydrophobicContact CD2-CD1 3.78Å; L397-L641 HydrophobicContact CD2-CD2 4.4Å; V415-L641 HydrophobicContact CG1-CD2 3.98Å; L637-L641 HydrophobicContact CB-CD1 3.44Å; L637-L641 VanDerWaalsContact CB-CD1 3.44Å; L637-L641 HydrophobicContact CB-CG 4.02Å; L637-L641 WeakPolarHBondContact O-CB 3.41Å; L637-L641 VanDerWaalsContact O-CD1 3.28Å; L637-L641 WeakPolarHBondContact O-CD1 3.43Å; L637-L641 WeakPolarHBondContact O-CG 3.39Å; L637-L641 PolarHBondContact O-N 3.23Å; T639-L641 PolarHBondContact O-N 3.27Å; L641-L644 HydrophobicContact CD2-CD1 4.45Å; L641-L644 PolarHBondContact O-N 2.69Å; L641-G645 PolarHBondContact O-N 3.48Å; L641-M646 HydrophobicContact CB-CB 4.29Å; L641-M646 HydrophobicContact CB-CE 3.96Å; L641-M646 HydrophobicContact CD1-CE 3.93Å; L641-M646 HydrophobicContact CD2-CE 4.41Å; L641-M646 HydrophobicContact CG-CE 4.32Å; L641-M646 VanDerWaalsContact O-CB 3.27Å; L641-M646 WeakPolarHBondContact O-CB 3.25Å; L641-M646 PolarHBondContact O-N 3.31Å; L641-F650 HydrophobicContact CB-CE2 4.13Å; L641-F650 HydrophobicContact CB-CZ 4.18Å; L641-F650 HydrophobicContact CD1-CZ 4.34Å; L641-V671 HydrophobicContact CD1-CB 4.29Å; L641-V671 HydrophobicContact CD1-CG1 4.21Å; L641-V671 HydrophobicContact CD1-CG2 4.3Å
642T84.2Confident83.7Confident61 Ų6144 Ų4437%0.37424%0.239SC..Hα-helixtrans-62.4-43170.9-63.70000111D638 T639 L644 G645 A647 F650D638-T642 VanDerWaalsContact O-CB 3.24Å; D638-T642 WeakPolarHBondContact O-CB 3.41Å; D638-T642 PolarHBondContact O-N 3.37Å; D638-T642 PolarHBondContact O-OG1 3.1Å; T639-T642 PolarHBondContact O-N 3.17Å; T642-L644 VanDerWaalsContact C-N 3.28Å; T642-L644 PolarHBondContact O-N 3.42Å; T642-G645 PolarHBondContact O-N 3.39Å; T642-A647 HydrophobicContact CG2-CB 4.12Å; T642-F650 WeakPolarHBondContact OG1-CD2 3.35Å
643K75.6Confident84.6Confident136 Ų13647.2 Ų47.259%0.59125%0.251SS*.Hα-helixtrans-62.1-31.3173.1-70.4176.9-175.81770113.2L380 T639 S640 G645L380-K643 HydrophobicContact CD1-CB 4.04Å; L380-K643 HydrophobicContact CD2-CB 4.24Å; L380-K643 HydrophobicContact CD2-CD 3.96Å; T639-K643 WeakPolarHBondContact O-CG 3.23Å; T639-K643 PolarHBondContact O-N 3.35Å; S640-K643 WeakPolarHBondContact O-CB 3.27Å; S640-K643 PolarHBondContact O-N 3.42Å; K643-G645 PolarHBondContact O-N 2.9Å
644L71.3Confident85.5Confident46 Ų4649.4 Ų49.424%0.24126%0.263CS..THydrogen-bonded Turntrans-75.5-5.4172.5-65.3173.7000113.8K376 L377 L380 V415 S640 L641 T642K376-L644 HydrophobicContact CB-CD2 3.84Å; K376-L644 HydrophobicContact CD-CD2 4.42Å; L377-L644 HydrophobicContact CD1-CD1 3.86Å; L380-L644 HydrophobicContact CD1-CD1 4.16Å; L380-L644 HydrophobicContact CD1-CD2 3.57Å; L380-L644 HydrophobicContact CD1-CG 3.53Å; V415-L644 HydrophobicContact CB-CB 4.46Å; V415-L644 HydrophobicContact CG1-CB 3.97Å; V415-L644 HydrophobicContact CG1-CD1 3.87Å; V415-L644 HydrophobicContact CG2-CB 3.68Å; V415-L644 VanDerWaalsContact CG2-O 3.31Å; V415-L644 WeakPolarHBondContact CG2-O 3.21Å; S640-L644 WeakPolarHBondContact O-CG 3.33Å; S640-L644 PolarHBondContact O-N 2.96Å; S640-L644 VanDerWaalsContact O-N 3.09Å; L641-L644 HydrophobicContact CD2-CD1 4.45Å; L641-L644 PolarHBondContact O-N 2.69Å; T642-L644 VanDerWaalsContact C-N 3.28Å; T642-L644 PolarHBondContact O-N 3.42Å
645G79.4Confident86.2Confident38 Ų3847.3 Ų47.339%0.39226%0.256SS..THydrogen-bonded Turntrans102.413.7177.700000115.3Q411 L641 T642 K643 A647Q411-G645 VanDerWaalsContact CD-O 3.32Å; Q411-G645 WeakPolarHBondContact CG-O 3.35Å; Q411-G645 PolarHBondContact OE1-O 3.21Å; L641-G645 PolarHBondContact O-N 3.48Å; T642-G645 PolarHBondContact O-N 3.39Å; K643-G645 PolarHBondContact O-N 2.9Å; G645-A647 VanDerWaalsContact C-N 3.34Å; G645-A647 PolarHBondContact O-N 3.4Å
646M86.9Confident87.1Confident0 Ų049.7 Ų49.70%027%0.268CS..  trans-92.637.1-179.5-150.8174.683.800114.3L397 L400 I412 V415 L641 V649 F650L397-M646 HydrophobicContact CD2-CE 3.77Å; L397-M646 HydrophobicContact CD2-SD 4.38Å; L400-M646 HydrophobicContact CD1-CE 4.44Å; I412-M646 HydrophobicContact CB-CG 4.35Å; I412-M646 HydrophobicContact CB-SD 3.95Å; I412-M646 HydrophobicContact CG1-CG 3.8Å; I412-M646 HydrophobicContact CG1-SD 3.66Å; I412-M646 HydrophobicContact CG2-SD 3.94Å; V415-M646 HydrophobicContact CG2-CB 3.9Å; L641-M646 HydrophobicContact CB-CB 4.29Å; L641-M646 HydrophobicContact CB-CE 3.96Å; L641-M646 HydrophobicContact CD1-CE 3.93Å; L641-M646 HydrophobicContact CD2-CE 4.41Å; L641-M646 HydrophobicContact CG-CE 4.32Å; L641-M646 VanDerWaalsContact O-CB 3.27Å; L641-M646 WeakPolarHBondContact O-CB 3.25Å; L641-M646 PolarHBondContact O-N 3.31Å; M646-V649 HydrophobicContact CE-CG1 3.72Å; M646-V649 HydrophobicContact CG-CG1 4.15Å; M646-F650 HydrophobicContact CE-CE2 3.9Å; M646-F650 HydrophobicContact CE-CZ 3.77Å; M646-F650 WeakPolarHBondContact O-CD2 3.4Å; M646-F650 VanDerWaalsContact O-CE2 3.26Å; M646-F650 WeakPolarHBondContact O-CE2 3.13Å
647A90.6Very high87.8Confident41 Ų4147 Ų4734%0.33925%0.25SS..G310 helixtrans-68.1-39.6-16900000115.1T642 G645 V649 F650T642-A647 HydrophobicContact CG2-CB 4.12Å; G645-A647 VanDerWaalsContact C-N 3.34Å; G645-A647 PolarHBondContact O-N 3.4Å; A647-V649 PolarHBondContact O-N 2.97Å; A647-F650 PolarHBondContact O-N 2.99Å; A647-F650 VanDerWaalsContact O-N 3.16Å
648D95.1Very high88.3Confident18 Ų1849.9 Ų49.910%0.09627%0.27CS..G310 helixtrans-63.5-29-170-75.821.2000112.7N407 Q411 F650 D651 K654 A655N407-D648 PolarHBondContact ND2-OD2 3.23Å; Q411-D648 PolarHBondContact NE2-OD1 2.89Å; Q411-D648 PolarHBondContact NE2-OD2 3.46Å; Q411-D648 VanDerWaalsContact OE1-CB 3.32Å; D648-F650 PolarHBondContact O-N 2.77Å; D648-D651 PolarHBondContact O-N 3.04Å; D648-K654 HydrophobicContact CB-CB 3.86Å; D648-K654 CarbonylContact O-C 3.58Å; D648-K654 WeakPolarHBondContact OD1-CD 3.43Å; D648-A655 WeakPolarHBondContact O-CA 3.24Å; D648-A655 WeakPolarHBondContact O-CB 3.28Å; D648-A655 PolarHBondContact O-N 2.99Å; D648-A655 VanDerWaalsContact O-N 3.09Å
649V96Very high88.8Confident0 Ų050.9 Ų50.90%027%0.27CS..G310 helixtrans-70.7-21.2-177.882.20000112.6T408 I412 M646 A647 L657 V668T408-V649 HydrophobicContact CG2-CB 3.62Å; T408-V649 HydrophobicContact CG2-CG2 3.6Å; I412-V649 HydrophobicContact CD1-CG2 4.15Å; M646-V649 HydrophobicContact CE-CG1 3.72Å; M646-V649 HydrophobicContact CG-CG1 4.15Å; A647-V649 PolarHBondContact O-N 2.97Å; V649-L657 HydrophobicContact CG2-CD1 4.34Å; V649-L657 HydrophobicContact CG2-CD2 4.08Å; V649-L657 HydrophobicContact CG2-CG 4.48Å; V649-V668 HydrophobicContact CG2-CB 4.37Å; V649-V668 HydrophobicContact CG2-CG2 3.69Å; V649-V668 PolarHBondContact O-N 2.68Å
650F94.8Very high89.7Confident37 Ų3747.2 Ų47.216%0.16225%0.248CC..G310 helixtrans-94.2-3.6178.2-55.4-73.5000113.1D638 L641 T642 M646 A647 D648 F667 V668 V671D638-F650 HydrophobicContact CB-CD1 4.14Å; D638-F650 HydrophobicContact CB-CE1 3.82Å; D638-F650 HydrophobicContact CB-CZ 4.21Å; L641-F650 HydrophobicContact CB-CE2 4.13Å; L641-F650 HydrophobicContact CB-CZ 4.18Å; L641-F650 HydrophobicContact CD1-CZ 4.34Å; T642-F650 WeakPolarHBondContact OG1-CD2 3.35Å; M646-F650 HydrophobicContact CE-CE2 3.9Å; M646-F650 HydrophobicContact CE-CZ 3.77Å; M646-F650 WeakPolarHBondContact O-CD2 3.4Å; M646-F650 VanDerWaalsContact O-CE2 3.26Å; M646-F650 WeakPolarHBondContact O-CE2 3.13Å; A647-F650 PolarHBondContact O-N 2.99Å; A647-F650 VanDerWaalsContact O-N 3.16Å; D648-F650 PolarHBondContact O-N 2.77Å; F650-F667 WeakPolarHBondContact O-CD2 3.21Å; F650-V668 HydrophobicContact CD1-CB 4.04Å; F650-V668 HydrophobicContact CD1-CG1 3.99Å; F650-V668 WeakPolarHBondContact CD1-O 3.38Å; F650-V668 HydrophobicContact CE1-CB 4.15Å; F650-V668 HydrophobicContact CE1-CG1 3.72Å; F650-V671 HydrophobicContact CE1-CG2 3.95Å; F650-V671 HydrophobicContact CZ-CG2 4.18Å
651D94.2Very high90.4Very high42 Ų4247 Ų4723%0.22525%0.246CC..  trans-105.4117.5-176-179.4-40.8000110.9D648 F653 K654 A655D648-D651 PolarHBondContact O-N 3.04Å; D651-F653 PolarHBondContact O-N 2.86Å; D651-F653 WeakPolarHBondContact OD1-CA 3.43Å; D651-F653 WeakPolarHBondContact OD1-CB 3.49Å; D651-F653 PolarHBondContact OD1-N 2.88Å; D651-K654 HydrophobicContact CB-CB 4.09Å; D651-K654 HydrophobicContact CB-CG 4.22Å; D651-K654 PolarHBondContact O-N 2.84Å; D651-K654 VanDerWaalsContact O-N 3.08Å; D651-K654 PolarHBondContact OD1-N 3.43Å; D651-K654 IonicContact OD2-NZ 3.47Å; D651-K654 PolarHBondContact OD2-NZ 2.74Å; D651-A655 VanDerWaalsContact O-CB 3.23Å; D651-A655 WeakPolarHBondContact O-CB 3.4Å; D651-A655 PolarHBondContact O-N 3.45Å
652Q92.6Very high90.6Very high87 Ų8752.2 Ų52.241%0.40727%0.274SS..THydrogen-bonded Turntrans-60.4-14.9-176.674.2164.556.100115.5H665 F667Q652-H665 PolarHBondContact O-ND1 2.96Å; Q652-F667 HydrophobicContact CB-CD1 3.41Å; Q652-F667 VanDerWaalsContact CB-CD1 3.41Å; Q652-F667 HydrophobicContact CB-CE1 3.61Å; Q652-F667 HydrophobicContact CB-CG 4Å; Q652-F667 HydrophobicContact CB-CZ 4.35Å
653F92.9Very high90.8Very high157 Ų15754.5 Ų54.569%0.68928%0.278SS*.THydrogen-bonded Turntrans-104.7-16.1178.9-56.6-72.5000113.3D651D651-F653 PolarHBondContact O-N 2.86Å; D651-F653 WeakPolarHBondContact OD1-CA 3.43Å; D651-F653 WeakPolarHBondContact OD1-CB 3.49Å; D651-F653 PolarHBondContact OD1-N 2.88Å
654K94.9Very high91.2Very high113 Ų11351.4 Ų51.449%0.49128%0.279SS..THydrogen-bonded Turntrans-107.4-24176.5-54.2-170.7-168.992.60114T408 D648 D651 N656T408-K654 PolarHBondContact OG1-O 2.79Å; D648-K654 HydrophobicContact CB-CB 3.86Å; D648-K654 CarbonylContact O-C 3.58Å; D648-K654 WeakPolarHBondContact OD1-CD 3.43Å; D651-K654 HydrophobicContact CB-CB 4.09Å; D651-K654 HydrophobicContact CB-CG 4.22Å; D651-K654 PolarHBondContact O-N 2.84Å; D651-K654 VanDerWaalsContact O-N 3.08Å; D651-K654 PolarHBondContact OD1-N 3.43Å; D651-K654 IonicContact OD2-NZ 3.47Å; D651-K654 PolarHBondContact OD2-NZ 2.74Å; K654-N656 PolarHBondContact O-N 3.49Å; K654-N656 VanDerWaalsContact O-N 3.17Å
655A95.8Very high92.1Very high15 Ų1554 Ų5412%0.12429%0.289CS..  trans-64115.6-17600000111.6D648 D651 L666 F667D648-A655 WeakPolarHBondContact O-CA 3.24Å; D648-A655 WeakPolarHBondContact O-CB 3.28Å; D648-A655 PolarHBondContact O-N 2.99Å; D648-A655 VanDerWaalsContact O-N 3.09Å; D651-A655 VanDerWaalsContact O-CB 3.23Å; D651-A655 WeakPolarHBondContact O-CB 3.4Å; D651-A655 PolarHBondContact O-N 3.45Å; A655-L666 WeakPolarHBondContact CB-O 3.35Å; A655-F667 HydrophobicContact CB-CB 3.5Å
656N95.6Very high92.9Very high59 Ų5952.3 Ų52.332%0.31627%0.271SS..  trans-107.783175-175.29.9000110A404 E405 T408 K654 C658A404-N656 CarbonylContact C-O 3.52Å; A404-N656 WeakPolarHBondContact CA-O 3.42Å; E405-N656 WeakPolarHBondContact CB-ND2 3.27Å; E405-N656 PolarHBondContact N-O 2.7Å; E405-N656 PolarHBondContact O-ND2 2.72Å; T408-N656 PolarHBondContact OG1-N 3.08Å; K654-N656 PolarHBondContact O-N 3.49Å; K654-N656 VanDerWaalsContact O-N 3.17Å; N656-C658 WeakPolarHBondContact OD1-CB 3.34Å; N656-C658 PolarHBondContact OD1-SG 2.89Å
657L95.9Very high93.3Very high5 Ų553.7 Ų53.73%0.02628%0.277CS..  trans-102.435.9174.9-63.5176.6000111.5G403 A404 T408 L519 V649 R659 V660 S661 L666 V668G403-L657 CarbonylContact O-C 3.44Å; A404-L657 HydrophobicContact CB-CD2 3.92Å; T408-L657 HydrophobicContact CG2-CD2 4.5Å; L519-L657 HydrophobicContact CD1-CD1 4.01Å; V649-L657 HydrophobicContact CG2-CD1 4.34Å; V649-L657 HydrophobicContact CG2-CD2 4.08Å; V649-L657 HydrophobicContact CG2-CG 4.48Å; L657-R659 PolarHBondContact O-N 2.63Å; L657-R659 VanDerWaalsContact O-N 3.11Å; L657-V660 HydrophobicContact CB-CB 4.39Å; L657-V660 HydrophobicContact CB-CG2 4.04Å; L657-V660 WeakPolarHBondContact O-CA 3.11Å; L657-V660 VanDerWaalsContact O-CB 3.32Å; L657-V660 WeakPolarHBondContact O-CB 3.24Å; L657-V660 PolarHBondContact O-N 3.01Å; L657-S661 PolarHBondContact O-N 3.33Å; L657-L666 HydrophobicContact CB-CB 4.49Å; L657-L666 HydrophobicContact CB-CD2 4.27Å; L657-L666 HydrophobicContact CB-CG 4.25Å; L657-L666 HydrophobicContact CD1-CG 4.25Å; L657-V668 HydrophobicContact CD1-CG2 4.18Å
658C94.5Very high93.6Very high62 Ų6251.8 Ų51.842%0.41926%0.261SS..THydrogen-bonded Turntrans-67.2-12.9-169.973.20000115.1N656 S661N656-C658 WeakPolarHBondContact OD1-CB 3.34Å; N656-C658 PolarHBondContact OD1-SG 2.89Å; C658-S661 CarbonylContact C-O 3.56Å; C658-S661 WeakPolarHBondContact CA-O 3.45Å
659R93.9Very high93.5Very high67 Ų6752.7 Ų52.725%0.25327%0.269SS..THydrogen-bonded Turntrans-82.4-23.8170.2-48.5-17473.7-133.31.5111.4V402 G403 E405 Y467 E470 L657V402-R659 PolarHBondContact O-NH1 2.85Å; G403-R659 WeakPolarHBondContact O-CB 3.45Å; G403-R659 PolarHBondContact O-N 3.06Å; E405-R659 HydrophobicContact CG-CG 4.17Å; Y467-R659 WeakPolarHBondContact CB-O 3.34Å; E470-R659 VanDerWaalsContact CD-NH2 3.35Å; E470-R659 IonicContact OE1-CZ 2.67Å; E470-R659 IonicContact OE1-NH1 3.63Å; E470-R659 PolarHBondContact OE1-NH1 2.66Å; E470-R659 IonicContact OE1-NH2 3.1Å; E470-R659 PolarHBondContact OE1-NH2 3.11Å; E470-R659 VanDerWaalsContact OE1-NH2 3.13Å; E470-R659 IonicContact OE2-CZ 3.2Å; E470-R659 IonicContact OE2-NH1 3.64Å; E470-R659 IonicContact OE2-NH2 2.69Å; E470-R659 PolarHBondContact OE2-NH2 2.88Å; L657-R659 PolarHBondContact O-N 2.63Å; L657-R659 VanDerWaalsContact O-N 3.11Å
660V96.3Very high93.2Very high0 Ų054.7 Ų54.70%028%0.28CS..THydrogen-bonded Turntrans-73.6-48.7173.7-171.60000111V457 I463 L464 Y467 L657 L666V457-V660 HydrophobicContact CG2-CG1 4.17Å; I463-V660 CarbonylContact C-O 3.56Å; I463-V660 WeakPolarHBondContact CA-O 3.2Å; L464-V660 PolarHBondContact N-O 3.03Å; Y467-V660 HydrophobicContact CD1-CB 4.18Å; Y467-V660 HydrophobicContact CD1-CG1 4.07Å; Y467-V660 HydrophobicContact CD1-CG2 4.15Å; Y467-V660 HydrophobicContact CE1-CB 4.07Å; Y467-V660 HydrophobicContact CE1-CG1 3.79Å; Y467-V660 HydrophobicContact CE1-CG2 3.69Å; Y467-V660 HydrophobicContact CE2-CG2 4.42Å; L657-V660 HydrophobicContact CB-CB 4.39Å; L657-V660 HydrophobicContact CB-CG2 4.04Å; L657-V660 WeakPolarHBondContact O-CA 3.11Å; L657-V660 VanDerWaalsContact O-CB 3.32Å; L657-V660 WeakPolarHBondContact O-CB 3.24Å; L657-V660 PolarHBondContact O-N 3.01Å; V660-L666 HydrophobicContact CB-CD2 3.85Å; V660-L666 HydrophobicContact CG1-CD2 3.8Å
661S95Very high93.1Very high2 Ų253 Ų531%0.01427%0.273CS..BIsolated β-bridgetrans-142.9146.2178.9-165.70000111.3K462 L657 C658 K663K462-S661 PolarHBondContact N-OG 2.95Å; K462-S661 WeakPolarHBondContact O-CA 3.35Å; K462-S661 VanDerWaalsContact O-CB 3.26Å; K462-S661 WeakPolarHBondContact O-CB 3.32Å; K462-S661 PolarHBondContact O-OG 2.95Å; L657-S661 PolarHBondContact O-N 3.33Å; C658-S661 CarbonylContact C-O 3.56Å; C658-S661 WeakPolarHBondContact CA-O 3.45Å; S661-K663 PolarHBondContact O-N 2.93Å
662D87.8Confident92.9Very high111 Ų11151.2 Ų51.259%0.59426%0.263SS*.SBendtrans-72.9-10.8174.652.40.6000113.6L464L464-D662 HydrophobicContact CD2-CB 4.17Å
663K87.4Confident92.7Very high108 Ų10847 Ų4747%0.4724%0.243SC..SBendtrans-93.4125.7-177.6-173.7177.9176.1-179.30112A460 F461 S661A460-K663 VanDerWaalsContact O-CD 3.26Å; A460-K663 WeakPolarHBondContact O-CD 3.33Å; A460-K663 PolarHBondContact O-NZ 3.23Å; F461-K663 HydrophobicContact CD1-CB 3.98Å; F461-K663 HydrophobicContact CD1-CD 4.03Å; F461-K663 HydrophobicContact CD1-CG 4.07Å; F461-K663 HydrophobicContact CE1-CB 4.48Å; F461-K663 HydrophobicContact CE1-CD 4.27Å; F461-K663 HydrophobicContact CE1-CG 4.17Å; S661-K663 PolarHBondContact O-N 2.93Å
664A84.3Confident92.5Very high72 Ų7240.3 Ų40.360%0.59521%0.214SC*.SBendtrans-62.7160.2178.300000113.5F461F461-A664 WeakPolarHBondContact CE1-O 3.49Å
665H90.6Very high91.9Very high99 Ų9934.9 Ų34.946%0.45819%0.19SC..  trans68.426.2-176.6-48.5-65.7000115.4F461 Q652F461-H665 WeakPolarHBondContact CZ-O 3.44Å; Q652-H665 PolarHBondContact O-ND1 2.96Å
666L95.9Very high91.2Very high4 Ų434.6 Ų34.62%0.02119%0.186CC..  trans-82117.2163.2-176.457000109.5V457 F461 L519 A655 L657 V660V457-L666 HydrophobicContact CG1-CD1 4.25Å; F461-L666 HydrophobicContact CB-CD1 4.39Å; F461-L666 HydrophobicContact CD1-CB 3.73Å; F461-L666 HydrophobicContact CD1-CD1 4.08Å; F461-L666 HydrophobicContact CD1-CD2 4.48Å; F461-L666 HydrophobicContact CD1-CG 4.31Å; F461-L666 HydrophobicContact CD2-CD1 4.2Å; F461-L666 HydrophobicContact CE1-CB 3.75Å; F461-L666 HydrophobicContact CE1-CD1 4.38Å; F461-L666 HydrophobicContact CG-CB 4.47Å; F461-L666 HydrophobicContact CG-CD1 3.97Å; L519-L666 HydrophobicContact CB-CD1 4.01Å; L519-L666 HydrophobicContact CD1-CD1 4.32Å; L519-L666 HydrophobicContact CD1-CG 4.45Å; A655-L666 WeakPolarHBondContact CB-O 3.35Å; L657-L666 HydrophobicContact CB-CB 4.49Å; L657-L666 HydrophobicContact CB-CD2 4.27Å; L657-L666 HydrophobicContact CB-CG 4.25Å; L657-L666 HydrophobicContact CD1-CG 4.25Å; V660-L666 HydrophobicContact CB-CD2 3.85Å; V660-L666 HydrophobicContact CG1-CD2 3.8Å
667F95.9Very high90.6Very high28 Ų2831.8 Ų31.812%0.12317%0.171CC..  trans-131.3165.4178.268.1-79.4000109.9T518 L519 F650 Q652 A655T518-F667 HydrophobicContact CG2-CD1 4.06Å; T518-F667 HydrophobicContact CG2-CE1 3.51Å; T518-F667 HydrophobicContact CG2-CZ 4.19Å; T518-F667 WeakPolarHBondContact OG1-CD1 3.31Å; T518-F667 WeakPolarHBondContact OG1-CE1 3.48Å; T518-F667 PolarHBondContact OG1-O 2.9Å; L519-F667 VanDerWaalsContact CB-O 3.29Å; L519-F667 WeakPolarHBondContact CB-O 3.34Å; F650-F667 WeakPolarHBondContact O-CD2 3.21Å; Q652-F667 HydrophobicContact CB-CD1 3.41Å; Q652-F667 VanDerWaalsContact CB-CD1 3.41Å; Q652-F667 HydrophobicContact CB-CE1 3.61Å; Q652-F667 HydrophobicContact CB-CG 4Å; Q652-F667 HydrophobicContact CB-CZ 4.35Å; A655-F667 HydrophobicContact CB-CB 3.5Å
668V96.1Very high90.1Very high1 Ų133.5 Ų33.51%0.00618%0.181CC..  trans-82.9117.2172.8176.30000108.7L400 L519 V521 V649 F650 L657 N670 V671L400-V668 HydrophobicContact CD1-CG2 3.84Å; L400-V668 HydrophobicContact CD2-CG2 3.45Å; L400-V668 VanDerWaalsContact CD2-CG2 3.45Å; L400-V668 HydrophobicContact CG-CG2 4.3Å; L519-V668 HydrophobicContact CD2-CG1 4.46Å; L519-V668 HydrophobicContact CD2-CG2 3.91Å; V521-V668 HydrophobicContact CG2-CG1 4.06Å; V521-V668 HydrophobicContact CG2-CG2 4.46Å; V649-V668 HydrophobicContact CG2-CB 4.37Å; V649-V668 HydrophobicContact CG2-CG2 3.69Å; V649-V668 PolarHBondContact O-N 2.68Å; F650-V668 HydrophobicContact CD1-CB 4.04Å; F650-V668 HydrophobicContact CD1-CG1 3.99Å; F650-V668 WeakPolarHBondContact CD1-O 3.38Å; F650-V668 HydrophobicContact CE1-CB 4.15Å; F650-V668 HydrophobicContact CE1-CG1 3.72Å; L657-V668 HydrophobicContact CD1-CG2 4.18Å; V668-N670 WeakPolarHBondContact CG1-O 3.45Å; V668-V671 HydrophobicContact CG1-CG2 3.75Å
669S94.1Very high89.9Confident37 Ų3730.6 Ų30.626%0.25916%0.161SC..SBendtrans-81.2-30.9175.3-46.60000112.2T518 L519T518-S669 PolarHBondContact N-OG 2.67Å; T518-S669 PolarHBondContact OG1-OG 3.45Å; L519-S669 PolarHBondContact N-OG 3.19Å; L519-S669 WeakPolarHBondContact O-CB 3.4Å; L519-S669 PolarHBondContact O-N 2.75Å
670N89.5Confident89.7Confident43 Ų4328.7 Ų28.723%0.2316%0.155CC..EExtended strand (participates in β ladder)trans-160.2154.4171.4-143.9-32.4000113.1V521 V668 L672V521-N670 PolarHBondContact N-O 2.89Å; V668-N670 WeakPolarHBondContact CG1-O 3.45Å; N670-L672 HydrophobicContact CB-CD2 4.45Å; N670-L672 HydrophobicContact CB-CG 4.44Å
671V91.4Very high89.4Confident1 Ų128.9 Ų28.91%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-119.4105169.1178.80000108L397 L400 V521 L637 L641 F650 V668L397-V671 HydrophobicContact CD2-CG1 4.41Å; L400-V671 HydrophobicContact CD1-CG2 4.47Å; V521-V671 HydrophobicContact CB-CB 4.43Å; V521-V671 HydrophobicContact CB-CG1 4.27Å; V521-V671 HydrophobicContact CB-CG2 4.16Å; V521-V671 HydrophobicContact CG2-CG2 3.85Å; L637-V671 HydrophobicContact CB-CB 4.2Å; L637-V671 HydrophobicContact CB-CG1 4.04Å; L637-V671 HydrophobicContact CD1-CG1 4.12Å; L637-V671 HydrophobicContact CG-CG1 4.49Å; L637-V671 PolarHBondContact N-O 2.88Å; L641-V671 HydrophobicContact CD1-CB 4.29Å; L641-V671 HydrophobicContact CD1-CG1 4.21Å; L641-V671 HydrophobicContact CD1-CG2 4.3Å; F650-V671 HydrophobicContact CE1-CG2 3.95Å; F650-V671 HydrophobicContact CZ-CG2 4.18Å; V668-V671 HydrophobicContact CG1-CG2 3.75Å
672L91.2Very high89Confident4 Ų430.3 Ų30.32%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-100.7114.2-175.6-61.2177.9000110.5I509 L510 V520 V521 N523 C636 N670I509-L672 HydrophobicContact CD1-CB 4.16Å; I509-L672 HydrophobicContact CG1-CB 4.14Å; L510-L672 HydrophobicContact CB-CD1 4.17Å; L510-L672 HydrophobicContact CD1-CD1 3.45Å; L510-L672 VanDerWaalsContact CD1-CD1 3.45Å; L510-L672 HydrophobicContact CG-CD1 4.4Å; V520-L672 HydrophobicContact CG1-CD1 3.9Å; V520-L672 HydrophobicContact CG1-CG 4.25Å; V521-L672 PolarHBondContact O-N 2.86Å; N523-L672 PolarHBondContact N-O 3.39Å; C636-L672 VanDerWaalsContact SG-CD2 3.58Å; N670-L672 HydrophobicContact CB-CD2 4.45Å; N670-L672 HydrophobicContact CB-CG 4.44Å
673H88.5Confident88.9Confident0 Ų025 Ų250%013%0.134CC..EExtended strand (participates in β ladder)trans-107.5138.2171.3-177.851.3000110.6F388 S389 V393 N523 Q634 M635 L637 T675F388-H673 WeakPolarHBondContact CA-NE2 3.35Å; F388-H673 WeakPolarHBondContact CB-NE2 3.18Å; S389-H673 PolarHBondContact N-NE2 2.65Å; V393-H673 HydrophobicContact CG2-CB 4.17Å; N523-H673 VanDerWaalsContact O-CA 3.32Å; N523-H673 WeakPolarHBondContact O-CA 3.4Å; N523-H673 PolarHBondContact O-ND1 2.81Å; N523-H673 PolarHBondContact OD1-CE1 2.93Å; N523-H673 PolarHBondContact OD1-ND1 3.1Å; Q634-H673 CarbonylContact C-O 3.53Å; Q634-H673 WeakPolarHBondContact CA-O 3.32Å; M635-H673 HydrophobicContact CB-CB 4.45Å; M635-H673 PolarHBondContact N-O 3.41Å; M635-H673 PolarHBondContact O-N 2.82Å; L637-H673 HydrophobicContact CD1-CB 3.72Å; L637-H673 HydrophobicContact CG-CB 4.12Å; H673-T675 WeakPolarHBondContact NE2-CG2 3.37Å
674K87.3Confident88.6Confident15 Ų1519.9 Ų19.97%0.06511%0.112CC..EExtended strand (participates in β ladder)trans-143.1137.2173.8-165.8158-177.41730112.4I506 R508 I509 N523 A524 V525 E632 R633 Q634I506-K674 HydrophobicContact CD1-CB 4.48Å; I506-K674 HydrophobicContact CD1-CG 4.26Å; I506-K674 HydrophobicContact CG2-CB 4.27Å; I506-K674 HydrophobicContact CG2-CD 3.61Å; I506-K674 HydrophobicContact CG2-CG 3.87Å; R508-K674 WeakPolarHBondContact O-CD 3.5Å; R508-K674 PolarHBondContact O-NZ 2.99Å; I509-K674 HydrophobicContact CB-CD 4.26Å; I509-K674 HydrophobicContact CD1-CB 3.5Å; I509-K674 HydrophobicContact CG1-CB 3.89Å; I509-K674 HydrophobicContact CG1-CD 4.1Å; N523-K674 PolarHBondContact O-N 3.25Å; A524-K674 CarbonylContact C-O 3.57Å; A524-K674 VanDerWaalsContact CA-O 3.3Å; A524-K674 WeakPolarHBondContact CA-O 3.48Å; V525-K674 PolarHBondContact N-O 2.84Å; E632-K674 WeakPolarHBondContact OE1-CE 3.27Å; E632-K674 IonicContact OE1-NZ 3.06Å; E632-K674 PolarHBondContact OE1-NZ 3.49Å; R633-K674 CarbonylContact O-C 3.55Å; R633-K674 WeakPolarHBondContact O-CA 3.41Å; Q634-K674 HydrophobicContact CB-CD 3.9Å; Q634-K674 HydrophobicContact CB-CG 4.12Å; Q634-K674 HydrophobicContact CG-CD 4.17Å
675T83.7Confident88Confident0 Ų017.7 Ų17.70%09%0.089CC..EExtended strand (participates in β ladder)trans-125.3146.5179.248.80000111.9L387 V525 E632 R633 H673 F728L387-T675 WeakPolarHBondContact CG-OG1 3.48Å; L387-T675 PolarHBondContact O-OG1 2.72Å; L387-T675 VanDerWaalsContact O-OG1 3.13Å; V525-T675 HydrophobicContact CG1-CG2 4.35Å; V525-T675 WeakPolarHBondContact O-CA 3.24Å; E632-T675 WeakPolarHBondContact CA-O 3.24Å; R633-T675 PolarHBondContact N-O 3.26Å; R633-T675 PolarHBondContact O-N 2.91Å; R633-T675 PolarHBondContact O-OG1 3.13Å; H673-T675 WeakPolarHBondContact NE2-CG2 3.37Å; T675-F728 HydrophobicContact CG2-CD1 4.06Å; T675-F728 HydrophobicContact CG2-CE1 3.72Å
676F81.3Confident85.9Confident9 Ų913.5 Ų13.54%0.0397%0.072CC..EExtended strand (participates in β ladder)trans-132.1128.5171.4-174.9-77.2000110.6K505 I506 V525 Y526 F631 E632 D678 E685K505-F676 HydrophobicContact CB-CD1 4.45Å; K505-F676 HydrophobicContact CB-CG 4.48Å; K505-F676 HydrophobicContact CD-CD1 4.5Å; K505-F676 HydrophobicContact CD-CE1 4.04Å; K505-F676 HydrophobicContact CD-CZ 4.21Å; K505-F676 WeakPolarHBondContact O-CD2 3.27Å; I506-F676 HydrophobicContact CD1-CB 3.98Å; I506-F676 HydrophobicContact CG1-CB 3.84Å; V525-F676 PolarHBondContact O-N 2.8Å; V525-F676 VanDerWaalsContact O-N 3.11Å; Y526-F676 HydrophobicContact CD2-CB 4.5Å; Y526-F676 AromaticContact CD2-CD1 3.8Å; Y526-F676 HydrophobicContact CD2-CD1 3.8Å; Y526-F676 HydrophobicContact CD2-CG 4.47Å; Y526-F676 HydrophobicContact CE2-CD1 4.05Å; Y526-F676 HydrophobicContact CE2-CE1 4.36Å; F631-F676 WeakPolarHBondContact O-CA 3.48Å; E632-F676 HydrophobicContact CB-CD2 4.2Å; E632-F676 HydrophobicContact CG-CD2 4.3Å; F676-D678 HydrophobicContact CE1-CB 3.99Å; F676-D678 HydrophobicContact CZ-CB 4.27Å; F676-E685 HydrophobicContact CD1-CG 4.44Å; F676-E685 HydrophobicContact CE1-CG 3.85Å; F676-E685 WeakPolarHBondContact CE1-OE1 3.36Å
677I82.2Confident83Confident0 Ų016.4 Ų16.40%010%0.096CC..EExtended strand (participates in β ladder)trans-140.6146.4162.761.2178.2000109.6L387 F629 F631 V679 T684 F716 F728L387-I677 HydrophobicContact CD1-CD1 4.27Å; L387-I677 HydrophobicContact CD2-CD1 3.68Å; L387-I677 HydrophobicContact CD2-CG1 3.6Å; L387-I677 HydrophobicContact CD2-CG2 4.48Å; F629-I677 HydrophobicContact CE2-CD1 4.24Å; F631-I677 HydrophobicContact CB-CG1 3.89Å; F631-I677 HydrophobicContact CD2-CD1 4.34Å; F631-I677 HydrophobicContact CD2-CG1 4.41Å; F631-I677 PolarHBondContact N-O 2.7Å; F631-I677 PolarHBondContact O-N 3.33Å; I677-V679 HydrophobicContact CD1-CG2 4.27Å; I677-V679 HydrophobicContact CG1-CG2 4.47Å; I677-T684 HydrophobicContact CB-CG2 3.68Å; I677-T684 HydrophobicContact CG2-CG2 3.9Å; I677-F716 HydrophobicContact CD1-CE2 3.58Å; I677-F716 HydrophobicContact CD1-CZ 3.95Å; I677-F728 HydrophobicContact CG2-CD1 4.48Å; I677-F728 HydrophobicContact CG2-CE1 3.95Å; I677-F728 HydrophobicContact CG2-CE2 4.18Å; I677-F728 HydrophobicContact CG2-CZ 3.76Å
678D84.9Confident80.1Confident41 Ų4116.8 Ų16.822%0.21911%0.108CC..EExtended strand (participates in β ladder)trans-130.1120.7171.9-147.3-26.6000107K630 F676 T684 E685K630-D678 WeakPolarHBondContact CB-OD1 3.22Å; K630-D678 VanDerWaalsContact CD-OD2 3.32Å; K630-D678 WeakPolarHBondContact CD-OD2 3.35Å; K630-D678 VanDerWaalsContact CE-OD2 3.24Å; K630-D678 WeakPolarHBondContact CE-OD2 3.34Å; K630-D678 HydrophobicContact CG-CB 4.32Å; K630-D678 IonicContact NZ-OD2 2.65Å; K630-D678 PolarHBondContact NZ-OD2 3.18Å; F676-D678 HydrophobicContact CE1-CB 3.99Å; F676-D678 HydrophobicContact CZ-CB 4.27Å; D678-T684 CarbonylContact O-C 3.6Å; D678-T684 VanDerWaalsContact O-CA 3.24Å; D678-T684 WeakPolarHBondContact O-CA 3.24Å; D678-T684 WeakPolarHBondContact O-CG2 2.93Å; D678-E685 HydrophobicContact CB-CG 3.91Å; D678-E685 PolarHBondContact O-N 2.9Å
679V89.7Confident77Confident0 Ų021.2 Ų21.20%014%0.135CC..EExtended strand (participates in β ladder)trans-112.8114-167-174.70000109.8W531 M558 M587 K628 F629 I677 T684W531-V679 HydrophobicContact CZ2-CG1 3.9Å; M558-V679 HydrophobicContact CE-CG1 4.45Å; M587-V679 HydrophobicContact CE-CG2 4.1Å; K628-V679 WeakPolarHBondContact CA-O 3.49Å; F629-V679 HydrophobicContact CD1-CB 4.38Å; F629-V679 HydrophobicContact CD2-CB 4.2Å; F629-V679 HydrophobicContact CD2-CG2 3.93Å; F629-V679 HydrophobicContact CE1-CB 4.25Å; F629-V679 HydrophobicContact CE1-CG1 4.15Å; F629-V679 HydrophobicContact CE1-CG2 4.43Å; F629-V679 HydrophobicContact CE2-CB 4.1Å; F629-V679 HydrophobicContact CE2-CG2 3.52Å; F629-V679 HydrophobicContact CG-CB 4.36Å; F629-V679 HydrophobicContact CZ-CB 4.12Å; F629-V679 HydrophobicContact CZ-CG1 4.18Å; F629-V679 HydrophobicContact CZ-CG2 3.8Å; F629-V679 PolarHBondContact N-O 3.23Å; F629-V679 WeakPolarHBondContact O-CB 3.32Å; F629-V679 PolarHBondContact O-N 2.89Å; I677-V679 HydrophobicContact CD1-CG2 4.27Å; I677-V679 HydrophobicContact CG1-CG2 4.47Å; V679-T684 HydrophobicContact CG2-CG2 4.37Å
680D90.1Very high74.1Confident27 Ų2724.7 Ų24.714%0.14416%0.155CC..EExtended strand (participates in β ladder)trans-133.2-176.8-172.390.4-31000112.1W531 K682 G683W531-D680 PolarHBondContact NE1-O 2.92Å; D680-K682 PolarHBondContact O-N 3.18Å; D680-K682 WeakPolarHBondContact OD1-CB 3.34Å; D680-K682 PolarHBondContact OD1-N 3.25Å; D680-K682 IonicContact OD2-NZ 2.68Å; D680-K682 PolarHBondContact OD2-NZ 3.27Å; D680-G683 PolarHBondContact N-O 2.81Å; D680-G683 PolarHBondContact O-N 2.78Å; D680-G683 PolarHBondContact OD1-N 2.9Å
681E90.9Very high71.1Confident5 Ų526.5 Ų26.52%0.02318%0.176CC..THydrogen-bonded Turntrans-63.9-23.5-176.5-62.987171.100112.7E534 F535 E537 T540 M558 K628E534-E681 CarbonylContact C-O 3.59Å; E534-E681 WeakPolarHBondContact CA-O 3.49Å; F535-E681 HydrophobicContact CB-CB 3.84Å; F535-E681 HydrophobicContact CB-CG 4.06Å; F535-E681 PolarHBondContact N-O 3Å; E537-E681 HydrophobicContact CG-CB 3.97Å; E537-E681 HydrophobicContact CG-CG 3.93Å; T540-E681 WeakPolarHBondContact CB-OE1 3.46Å; T540-E681 WeakPolarHBondContact OG1-CG 3.06Å; T540-E681 PolarHBondContact OG1-OE1 2.79Å; M558-E681 HydrophobicContact CG-CG 4.15Å; M558-E681 HydrophobicContact SD-CB 4.31Å; M558-E681 HydrophobicContact SD-CG 3.84Å; M558-E681 PolarHBondContact SD-N 2.83Å; K628-E681 WeakPolarHBondContact CD-OE1 3.39Å; K628-E681 WeakPolarHBondContact CE-OE1 3.3Å; K628-E681 VanDerWaalsContact CE-OE2 3.24Å; K628-E681 WeakPolarHBondContact CE-OE2 3.39Å; K628-E681 IonicContact NZ-OE1 2.7Å; K628-E681 PolarHBondContact NZ-OE1 3.06Å; K628-E681 IonicContact NZ-OE2 2.64Å; K628-E681 PolarHBondContact NZ-OE2 2.98Å
682K86.9Confident68.1Low32 Ų3231.3 Ų31.314%0.13920%0.2CC..THydrogen-bonded Turntrans-93.3-23.7-175.5-58.1166.6-151.164.20111.5A530 W531 E537 D680 A686A530-K682 CarbonylContact C-O 3.56Å; A530-K682 WeakPolarHBondContact CA-O 3.36Å; W531-K682 VanDerWaalsContact CD1-C 3.48Å; W531-K682 PolarHBondContact N-O 2.98Å; E537-K682 WeakPolarHBondContact OE1-CE 3.35Å; E537-K682 IonicContact OE1-NZ 2.64Å; E537-K682 PolarHBondContact OE1-NZ 3.14Å; D680-K682 PolarHBondContact O-N 3.18Å; D680-K682 WeakPolarHBondContact OD1-CB 3.34Å; D680-K682 PolarHBondContact OD1-N 3.25Å; D680-K682 IonicContact OD2-NZ 2.68Å; D680-K682 PolarHBondContact OD2-NZ 3.27Å; K682-A686 HydrophobicContact CB-CB 3.75Å; K682-A686 WeakPolarHBondContact O-CB 3.29Å
683G85.3Confident65.2Low0 Ų037.1 Ų37.10%023%0.225CC..EExtended strand (participates in β ladder)trans162.7-141.9-179.200000114.3G529 W531 D680G529-G683 WeakPolarHBondContact O-CA 3.47Å; W531-G683 VanDerWaalsContact CD1-CA 3.4Å; W531-G683 VanDerWaalsContact CD1-N 3.26Å; W531-G683 VanDerWaalsContact NE1-CA 3.29Å; D680-G683 PolarHBondContact N-O 2.81Å; D680-G683 PolarHBondContact O-N 2.78Å; D680-G683 PolarHBondContact OD1-N 2.9Å
684T81Confident62.4Low0 Ų044.8 Ų44.80%027%0.265CS..EExtended strand (participates in β ladder)trans-103.6119.2155.8-52.40000107.1F527 K528 G529 Y580 I677 D678 V679 A686F527-T684 HydrophobicContact CD1-CG2 3.88Å; F527-T684 HydrophobicContact CE1-CG2 4.12Å; K528-T684 CarbonylContact C-O 3.52Å; K528-T684 VanDerWaalsContact CA-O 3.27Å; K528-T684 WeakPolarHBondContact CA-O 3.43Å; G529-T684 PolarHBondContact N-O 2.94Å; G529-T684 PolarHBondContact O-N 2.82Å; Y580-T684 PolarHBondContact OH-OG1 3.08Å; I677-T684 HydrophobicContact CB-CG2 3.68Å; I677-T684 HydrophobicContact CG2-CG2 3.9Å; D678-T684 CarbonylContact O-C 3.6Å; D678-T684 VanDerWaalsContact O-CA 3.24Å; D678-T684 WeakPolarHBondContact O-CA 3.24Å; D678-T684 WeakPolarHBondContact O-CG2 2.93Å; V679-T684 HydrophobicContact CG2-CG2 4.37Å; T684-A686 PolarHBondContact O-N 3.31Å
685E71.4Confident59.9Low26 Ų2649.4 Ų49.412%0.12129%0.294CS..SBendtrans56.419179.5-93.8-88.6141.200115.1K505 Y526 K528 F676 D678 A687K505-E685 WeakPolarHBondContact CE-OE2 3.44Å; K505-E685 IonicContact NZ-OE1 2.69Å; K505-E685 PolarHBondContact NZ-OE1 2.93Å; K505-E685 IonicContact NZ-OE2 2.73Å; K505-E685 PolarHBondContact NZ-OE2 2.95Å; Y526-E685 HydrophobicContact CE2-CB 4.28Å; Y526-E685 HydrophobicContact CE2-CG 3.72Å; Y526-E685 WeakPolarHBondContact CE2-OE2 3.29Å; Y526-E685 PolarHBondContact OH-OE2 3.46Å; K528-E685 HydrophobicContact CB-CB 3.73Å; K528-E685 HydrophobicContact CD-CB 4.37Å; K528-E685 WeakPolarHBondContact CD-O 3.47Å; K528-E685 WeakPolarHBondContact CE-O 3.44Å; K528-E685 HydrophobicContact CG-CB 3.96Å; K528-E685 WeakPolarHBondContact CG-O 3.36Å; K528-E685 PolarHBondContact NZ-O 3.43Å; F676-E685 HydrophobicContact CD1-CG 4.44Å; F676-E685 HydrophobicContact CE1-CG 3.85Å; F676-E685 WeakPolarHBondContact CE1-OE1 3.36Å; D678-E685 HydrophobicContact CB-CG 3.91Å; D678-E685 PolarHBondContact O-N 2.9Å; E685-A687 PolarHBondContact O-N 3.28Å
686A45.9Very low57.5Low11 Ų1154.1 Ų54.19%0.09132%0.324CS..  trans-75.2127.7-16400000113.7A530 K682 T684 G688A530-A686 HydrophobicContact CB-CB 3.85Å; K682-A686 HydrophobicContact CB-CB 3.75Å; K682-A686 WeakPolarHBondContact O-CB 3.29Å; T684-A686 PolarHBondContact O-N 3.31Å; A686-G688 PolarHBondContact O-N 2.85Å
687A36.4Very low55.3Low64 Ų6462.4 Ų62.453%0.52937%0.368SS..  trans-81.6112.4170.400000108.8E685 V689E685-A687 PolarHBondContact O-N 3.28Å; A687-V689 PolarHBondContact O-N 3.37Å
688G35.3Very low53.2Low37 Ų3766.5 Ų66.538%0.38140%0.397SS..  trans-58.3126-172.100000113.5A686A686-G688 PolarHBondContact O-N 2.85Å
689V29.3Very low50.9Low93 Ų9369.1 Ų69.156%0.56443%0.425SS*.  trans-132.1101.8169.5177.10000106K446 A687 A691K446-V689 PolarHBondContact NZ-O 2.87Å; A687-V689 PolarHBondContact O-N 3.37Å; V689-A691 PolarHBondContact O-N 3.45Å
690T32.9Very low48.6Very low111 Ų11176.8 Ų76.868%0.68146%0.458SS*.  trans-60.498-167.636.20000112.5I692T690-I692 PolarHBondContact O-N 3.45Å
691A26.5Very low46.2Very low80 Ų8084.4 Ų84.466%0.66150%0.495SS*.  trans-8493173.500000109.6V689 K693V689-A691 PolarHBondContact O-N 3.45Å; A691-K693 PolarHBondContact O-N 2.95Å
692I30.5Very low44.1Very low103 Ų10390.4 Ų90.453%0.52852%0.522SS..  trans-68.297.3-178.7-61.2174.2000109.8T690 A1093T690-I692 PolarHBondContact O-N 3.45Å; I692-A1093 WeakPolarHBondContact CD1-O 3.34Å
693K30Very low42.3Very low125 Ų12594.6 Ų94.654%0.54355%0.553SS.*  trans-94.3112.5-179.1-160.5174.2-176.21760108.8N533 A691 V695N533-K693 PolarHBondContact OD1-NZ 2.98Å; A691-K693 PolarHBondContact O-N 2.95Å; K693-V695 PolarHBondContact O-N 3.12Å; K693-V695 VanDerWaalsContact O-N 3.11Å
694I29.9Very low40.9Very low161 Ų16199.3 Ų99.383%0.82658%0.575SS**  trans-74.9103179.9-59.3177000109
695V33.7Very low40.5Very low112 Ų112106.4 Ų106.468%0.67961%0.606SS**  trans-82.6131.5175.3-168.60000109.5K693 L697K693-V695 PolarHBondContact O-N 3.12Å; K693-V695 VanDerWaalsContact O-N 3.11Å; V695-L697 PolarHBondContact O-N 3.34Å
696P32.8Very low41.3Very low99 Ų99106.9 Ų106.964%0.64361%0.607SS**  trans-70.7125.1179.627.6-33.9000111.8S698P696-S698 PolarHBondContact O-N 3.3Å
697L35.3Very low43.5Very low183 Ų183109.6 Ų109.696%0.95862%0.622SS**  trans-68.815.5-179.2-69.2169.5000115.2V695 A699V695-L697 PolarHBondContact O-N 3.34Å; L697-A699 PolarHBondContact O-N 3Å
698S39.4Very low46.3Very low86 Ų86106.5 Ų106.560%0.60160%0.597SS**  trans-85.594177.2570000110.7P696 K700P696-S698 PolarHBondContact O-N 3.3Å; S698-K700 PolarHBondContact O-N 3.31Å
699A35Very low49.2Very low97 Ų97107 Ų10780%0.80259%0.592SS**  trans-61.1102.8174.400000111.3L697 M701L697-A699 PolarHBondContact O-N 3Å; A699-M701 PolarHBondContact O-N 2.98Å
700K42Very low52.3Low160 Ų160102.6 Ų102.670%0.69657%0.566SS**  trans-72.3107167.4-79.6-178.7177.1174.40108.7S698 H702S698-K700 PolarHBondContact O-N 3.31Å; K700-H702 PolarHBondContact O-N 3.25Å
701M40.5Very low55.2Low187 Ų18799.2 Ų99.292%0.92154%0.543SS*.  trans-7573.6165.9-71.1-172.371.300110.6A699A699-M701 PolarHBondContact O-N 2.98Å
702H46.6Very low58.4Low131 Ų13195.8 Ų95.861%0.60651%0.514SS*.PPolyproline II helixtrans-102.4142.7155.1-67.3-44.7000108.4K700 Q704K700-H702 PolarHBondContact O-N 3.25Å; H702-Q704 PolarHBondContact O-N 3.26Å
703P48.4Very low61.3Low120 Ų12091.4 Ų91.478%0.77949%0.492SS*.PPolyproline II helixtrans-64.7120.8173.127.1-32.3000108.9K705P703-K705 PolarHBondContact O-N 2.82Å
704Q55.7Low64.3Low100 Ų10085.4 Ų85.447%0.46747%0.466SS..PPolyproline II helixtrans-53128.7174.4-71.2173.1-56.900109.3N562 H702N562-Q704 PolarHBondContact OD1-NE2 3.47Å; H702-Q704 PolarHBondContact O-N 3.26Å
705K72.7Confident67.3Low149 Ų14977.8 Ų77.865%0.64843%0.427SS*.  trans-99.2-28.2-166.3-165.1-177.8172.3-150.40113.8P703P703-K705 PolarHBondContact O-N 2.82Å
706Y89Confident70Confident35 Ų3572.6 Ų72.614%0.13740%0.395CS..EExtended strand (participates in β ladder)trans-136.1142.1-175-46.5-75000112Y567 E620 Q623Y567-Y706 HydrophobicContact CD1-CD1 4.15Å; Y567-Y706 HydrophobicContact CD1-CD2 4.25Å; Y567-Y706 HydrophobicContact CD1-CE1 4.43Å; Y567-Y706 HydrophobicContact CD1-CG 4.01Å; Y567-Y706 AromaticContact CE1-CD1 3.46Å; Y567-Y706 HydrophobicContact CE1-CD1 3.46Å; Y567-Y706 VanDerWaalsContact CE1-CD1 3.46Å; Y567-Y706 HydrophobicContact CE1-CD2 4.32Å; Y567-Y706 AromaticContact CE1-CE1 3.94Å; Y567-Y706 HydrophobicContact CE1-CE1 3.94Å; Y567-Y706 AromaticContact CE1-CG 3.64Å; Y567-Y706 HydrophobicContact CE1-CG 3.64Å; E620-Y706 HydrophobicContact CB-CD2 3.98Å; E620-Y706 HydrophobicContact CB-CE2 3.81Å; E620-Y706 HydrophobicContact CG-CD2 4.41Å; E620-Y706 HydrophobicContact CG-CE2 3.78Å; E620-Y706 WeakPolarHBondContact OE1-CE2 3.48Å; E620-Y706 PolarHBondContact OE1-OH 3.4Å; E620-Y706 WeakPolarHBondContact OE2-CE2 3.41Å; Q623-Y706 PolarHBondContact N-O 3.22Å; Q623-Y706 VanDerWaalsContact N-O 3.17Å
707V92.2Very high72.8Confident68 Ų6867.9 Ų67.941%0.41236%0.364SS..EExtended strand (participates in β ladder)trans-129138.5174.6-175.80000107.6Q574 Q623Q574-V707 PolarHBondContact NE2-O 2.82Å; Q623-V707 HydrophobicContact CB-CG1 4.44Å; Q623-V707 HydrophobicContact CB-CG2 4.39Å; Q623-V707 HydrophobicContact CG-CG1 4.46Å
708F95.4Very high75.3Confident0 Ų059.1 Ų59.10%032%0.319CS..EExtended strand (participates in β ladder)trans-131.2109.4176.4-174.4-87.7000108.8Y567 Q574 L576 V589 L591 V622 Q623 V624 T625 A710Y567-F708 HydrophobicContact CE2-CB 4.46Å; Y567-F708 HydrophobicContact CE2-CD2 4.23Å; Q574-F708 HydrophobicContact CB-CD2 3.78Å; Q574-F708 HydrophobicContact CB-CE2 3.81Å; L576-F708 HydrophobicContact CB-CD1 3.91Å; L576-F708 HydrophobicContact CB-CD2 3.96Å; L576-F708 HydrophobicContact CB-CE1 3.77Å; L576-F708 HydrophobicContact CB-CE2 3.82Å; L576-F708 HydrophobicContact CB-CG 3.99Å; L576-F708 HydrophobicContact CB-CZ 3.72Å; L576-F708 HydrophobicContact CD1-CB 4.5Å; L576-F708 HydrophobicContact CD1-CG 4.47Å; L576-F708 HydrophobicContact CD2-CD1 3.68Å; L576-F708 HydrophobicContact CD2-CE1 3.95Å; L576-F708 HydrophobicContact CD2-CG 4.26Å; L576-F708 HydrophobicContact CG-CD1 4.3Å; L576-F708 HydrophobicContact CG-CE1 4.49Å; L576-F708 HydrophobicContact CG-CG 4.48Å; V589-F708 HydrophobicContact CB-CE1 4.26Å; V589-F708 HydrophobicContact CB-CZ 4.07Å; V589-F708 HydrophobicContact CG1-CE1 4.05Å; V589-F708 HydrophobicContact CG1-CZ 3.9Å; V589-F708 WeakPolarHBondContact O-CZ 3.21Å; L591-F708 HydrophobicContact CB-CE2 3.73Å; L591-F708 HydrophobicContact CB-CZ 3.67Å; L591-F708 HydrophobicContact CD2-CE2 4.22Å; L591-F708 HydrophobicContact CD2-CZ 4.25Å; V622-F708 HydrophobicContact CG1-CB 4Å; Q623-F708 PolarHBondContact O-N 2.82Å; V624-F708 WeakPolarHBondContact CA-O 3.48Å; T625-F708 PolarHBondContact N-O 3.16Å; F708-A710 HydrophobicContact CE1-CB 4.11Å
709T95.3Very high77.4Confident47 Ų4755.2 Ų55.229%0.28829%0.291SS..EExtended strand (participates in β ladder)trans-124100.3-174.4-61.20000108.6L591 T625 D711L591-T709 WeakPolarHBondContact CD2-O 3.39Å; T625-T709 HydrophobicContact CG2-CG2 4.25Å; T625-T709 WeakPolarHBondContact O-CA 3.21Å; T709-D711 HydrophobicContact CG2-CB 3.98Å; T709-D711 PolarHBondContact O-N 2.9Å
710A95.2Very high79.3Confident0 Ų050.7 Ų50.70%025%0.253CS..  trans-80.955.9-176.700000112L591 T625 I626 P627 F708 H712 F714L591-A710 HydrophobicContact CD1-CB 4.22Å; T625-A710 PolarHBondContact O-N 3.01Å; I626-A710 HydrophobicContact CB-CB 4.42Å; I626-A710 HydrophobicContact CG1-CB 4.11Å; P627-A710 WeakPolarHBondContact CD-O 3.48Å; F708-A710 HydrophobicContact CE1-CB 4.11Å; A710-H712 VanDerWaalsContact C-N 3.26Å; A710-H712 PolarHBondContact O-N 3.32Å; A710-F714 HydrophobicContact CB-CD1 3.8Å; A710-F714 HydrophobicContact CB-CE1 3.83Å
711D94.1Very high80.9Confident40 Ų4044.6 Ų44.621%0.21423%0.23CC..  trans-83.511.9-179.464.25.6000113.8F545 Y546 M557 T709F545-D711 CarbonylContact C-O 3.55Å; F545-D711 WeakPolarHBondContact CA-O 3.45Å; F545-D711 WeakPolarHBondContact CG-O 3.36Å; Y546-D711 HydrophobicContact CD2-CB 4.21Å; Y546-D711 WeakPolarHBondContact CD2-O 3.49Å; Y546-D711 HydrophobicContact CE2-CB 4.39Å; Y546-D711 PolarHBondContact N-O 3.33Å; M557-D711 HydrophobicContact CE-CB 4.34Å; T709-D711 HydrophobicContact CG2-CB 3.98Å; T709-D711 PolarHBondContact O-N 2.9Å
712H92.7Very high82Confident9 Ų940 Ų404%0.04220%0.202CC..SBendtrans-157.5170.8-179.563.5-95.5000111.1F545 Y546 P592 P595 A710 F714F545-H712 VanDerWaalsContact CE2-C 3.49Å; F545-H712 WeakPolarHBondContact CE2-O 3.47Å; F545-H712 WeakPolarHBondContact CZ-O 3.38Å; Y546-H712 WeakPolarHBondContact O-CB 3.34Å; P592-H712 PolarHBondContact O-CE1 2.84Å; P592-H712 PolarHBondContact O-NE2 2.98Å; P595-H712 VanDerWaalsContact CA-CD2 3.49Å; P595-H712 WeakPolarHBondContact CA-CD2 3.41Å; P595-H712 HydrophobicContact CB-CB 3.74Å; P595-H712 HydrophobicContact CG-CB 3.83Å; A710-H712 VanDerWaalsContact C-N 3.26Å; A710-H712 PolarHBondContact O-N 3.32Å; H712-F714 WeakPolarHBondContact O-CD1 3.39Å; H712-F714 PolarHBondContact O-N 3.42Å
713P91.9Very high82.7Confident10 Ų1036.9 Ų36.97%0.06519%0.187CC..  trans-49.7129.2-174.3-34.538.5000114.9F545 Y546 P592 L598 F732 T733F545-P713 HydrophobicContact CE1-CG 4.22Å; F545-P713 HydrophobicContact CZ-CG 4.34Å; Y546-P713 WeakPolarHBondContact O-CD 3.39Å; P592-P713 WeakPolarHBondContact CD-O 3.28Å; L598-P713 HydrophobicContact CB-CB 4.18Å; L598-P713 HydrophobicContact CD2-CB 3.57Å; L598-P713 HydrophobicContact CG-CB 4.46Å; P713-F732 VanDerWaalsContact CA-O 3.23Å; P713-F732 WeakPolarHBondContact CA-O 3.3Å; P713-T733 HydrophobicContact CB-CG2 4.16Å; P713-T733 HydrophobicContact CG-CG2 4.46Å
714F93.2Very high83.4Confident0 Ų032.5 Ų32.50%016%0.156CC..EExtended strand (participates in β ladder)trans-134.5155.3-177.158.9-105.9000113F545 V589 L591 P627 F629 A710 H712 F716 F732F545-F714 HydrophobicContact CE2-CE1 4.45Å; V589-F714 HydrophobicContact CG1-CB 4.23Å; V589-F714 HydrophobicContact CG1-CD1 4.41Å; V589-F714 HydrophobicContact CG1-CD2 3.56Å; V589-F714 HydrophobicContact CG1-CE2 3.9Å; V589-F714 HydrophobicContact CG1-CG 3.84Å; V589-F714 HydrophobicContact CG1-CZ 4.47Å; L591-F714 HydrophobicContact CD1-CB 3.89Å; L591-F714 HydrophobicContact CD1-CD1 4.42Å; P627-F714 HydrophobicContact CG-CE1 3.94Å; P627-F714 HydrophobicContact CG-CZ 4.29Å; F629-F714 HydrophobicContact CD1-CZ 4.14Å; F629-F714 HydrophobicContact CE1-CE2 4.13Å; F629-F714 AromaticContact CE1-CZ 3.72Å; F629-F714 HydrophobicContact CE1-CZ 3.72Å; F629-F714 HydrophobicContact CZ-CE2 4.27Å; F629-F714 HydrophobicContact CZ-CZ 4.31Å; A710-F714 HydrophobicContact CB-CD1 3.8Å; A710-F714 HydrophobicContact CB-CE1 3.83Å; H712-F714 WeakPolarHBondContact O-CD1 3.39Å; H712-F714 PolarHBondContact O-N 3.42Å; F714-F716 HydrophobicContact CD2-CB 4.24Å; F714-F716 HydrophobicContact CD2-CD1 4.12Å; F714-F716 HydrophobicContact CE2-CB 4.24Å; F714-F716 AromaticContact CE2-CD1 3.86Å; F714-F716 HydrophobicContact CE2-CD1 3.86Å; F714-F716 HydrophobicContact CE2-CG 4.37Å; F714-F732 HydrophobicContact CD1-CB 4.39Å; F714-F732 HydrophobicContact CD1-CD1 4.08Å; F714-F732 HydrophobicContact CD2-CB 3.83Å; F714-F732 HydrophobicContact CE1-CB 4.08Å; F714-F732 AromaticContact CE1-CD1 3.4Å; F714-F732 HydrophobicContact CE1-CD1 3.4Å; F714-F732 VanDerWaalsContact CE1-CD1 3.4Å; F714-F732 HydrophobicContact CE1-CE1 4.21Å; F714-F732 HydrophobicContact CE1-CG 4.09Å; F714-F732 HydrophobicContact CE2-CB 3.46Å; F714-F732 VanDerWaalsContact CE2-CB 3.46Å; F714-F732 HydrophobicContact CE2-CD1 4.3Å; F714-F732 HydrophobicContact CE2-CG 4.16Å; F714-F732 HydrophobicContact CG-CB 4.29Å; F714-F732 HydrophobicContact CZ-CB 3.6Å; F714-F732 AromaticContact CZ-CD1 3.53Å; F714-F732 HydrophobicContact CZ-CD1 3.53Å; F714-F732 HydrophobicContact CZ-CE1 4.44Å; F714-F732 AromaticContact CZ-CG 3.77Å; F714-F732 HydrophobicContact CZ-CG 3.77Å; F714-F732 PolarHBondContact N-O 2.86Å; F714-F732 PolarHBondContact O-N 3.34Å
715L91.5Very high83.9Confident1 Ų127.9 Ų27.91%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-89.3142.9167.8-173.779.5000108.8W375 Y378 M590 M601 L605 L610 L729 G730W375-L715 HydrophobicContact CH2-CD2 4.12Å; W375-L715 HydrophobicContact CZ3-CD1 4.49Å; W375-L715 HydrophobicContact CZ3-CD2 4.07Å; Y378-L715 HydrophobicContact CE1-CD1 4.18Å; Y378-L715 HydrophobicContact CE2-CD1 3.69Å; Y378-L715 VanDerWaalsContact CZ-CD1 3.42Å; Y378-L715 WeakPolarHBondContact OH-CD1 3.16Å; M590-L715 HydrophobicContact CB-CB 4.35Å; M590-L715 PolarHBondContact N-O 2.95Å; M590-L715 PolarHBondContact O-N 2.87Å; M601-L715 HydrophobicContact CE-CB 4.09Å; L605-L715 HydrophobicContact CD1-CD2 4.17Å; L610-L715 HydrophobicContact CD1-CD2 3.63Å; L610-L715 HydrophobicContact CD2-CD2 4.08Å; L610-L715 HydrophobicContact CG-CD2 4.48Å; L715-L729 HydrophobicContact CD1-CD1 4.23Å; L715-L729 HydrophobicContact CG-CD1 4.44Å; L715-G730 WeakPolarHBondContact CD1-O 3.5Å
716F92.2Very high84.2Confident2 Ų221.3 Ų21.31%0.00911%0.106CC..EExtended strand (participates in β ladder)trans-141155.3172.769.6-87.3000112.4L387 Y588 V589 F629 F631 I677 F714 G730 F732L387-F716 HydrophobicContact CD1-CE2 3.73Å; L387-F716 HydrophobicContact CD1-CZ 3.81Å; Y588-F716 CarbonylContact O-C 3.49Å; Y588-F716 WeakPolarHBondContact O-CA 3.36Å; Y588-F716 WeakPolarHBondContact O-CB 3.45Å; V589-F716 HydrophobicContact CG2-CB 4.4Å; F629-F716 HydrophobicContact CE2-CE1 4.29Å; F629-F716 HydrophobicContact CE2-CE2 4.36Å; F629-F716 HydrophobicContact CE2-CZ 4.1Å; F631-F716 HydrophobicContact CD2-CE1 4.38Å; F631-F716 AromaticContact CD2-CZ 3.92Å; F631-F716 HydrophobicContact CD2-CZ 3.92Å; F631-F716 AromaticContact CE2-CE1 3.58Å; F631-F716 HydrophobicContact CE2-CE1 3.58Å; F631-F716 AromaticContact CE2-CZ 3.58Å; F631-F716 HydrophobicContact CE2-CZ 3.58Å; F631-F716 AromaticContact CZ-CE1 3.84Å; F631-F716 HydrophobicContact CZ-CE1 3.84Å; F631-F716 HydrophobicContact CZ-CZ 4.07Å; I677-F716 HydrophobicContact CD1-CE2 3.58Å; I677-F716 HydrophobicContact CD1-CZ 3.95Å; F714-F716 HydrophobicContact CD2-CB 4.24Å; F714-F716 HydrophobicContact CD2-CD1 4.12Å; F714-F716 HydrophobicContact CE2-CB 4.24Å; F714-F716 AromaticContact CE2-CD1 3.86Å; F714-F716 HydrophobicContact CE2-CD1 3.86Å; F714-F716 HydrophobicContact CE2-CG 4.37Å; F716-G730 PolarHBondContact N-O 3.33Å; F716-G730 PolarHBondContact O-N 2.9Å; F716-F732 HydrophobicContact CD1-CB 4.31Å; F716-F732 HydrophobicContact CE1-CB 4.2Å
717A90.7Very high83.7Confident0 Ų019.7 Ų19.70%010%0.1CC..EExtended strand (participates in β ladder)trans-147.9148.9175.900000111.4M587 Y588 M614 V719 L726 F728 L729M587-A717 CarbonylContact C-O 3.59Å; M587-A717 WeakPolarHBondContact CA-O 3.47Å; Y588-A717 PolarHBondContact N-O 3.01Å; Y588-A717 PolarHBondContact O-N 3.02Å; M614-A717 HydrophobicContact CE-CB 3.64Å; A717-V719 HydrophobicContact CB-CG2 4.31Å; A717-L726 HydrophobicContact CB-CD2 4.13Å; A717-L726 HydrophobicContact CB-CG 4.37Å; A717-F728 CarbonylContact C-O 3.58Å; A717-F728 WeakPolarHBondContact CA-O 3.46Å; A717-F728 VanDerWaalsContact CB-O 3.28Å; A717-F728 WeakPolarHBondContact CB-O 3.38Å; A717-L729 HydrophobicContact CB-CD1 4.08Å
718I87.3Confident83.3Confident0 Ų016.4 Ų16.40%08%0.08CC..EExtended strand (participates in β ladder)trans-110.6124.6171.9-62.6168.9000107.5F527 Y580 L585 R586 M587 L727 F728F527-I718 HydrophobicContact CD1-CD1 3.86Å; F527-I718 HydrophobicContact CE1-CD1 3.86Å; F527-I718 HydrophobicContact CE1-CG2 4.26Å; F527-I718 HydrophobicContact CZ-CG2 4.47Å; Y580-I718 HydrophobicContact CE2-CG2 4.17Å; L585-I718 HydrophobicContact CD2-CG2 4.18Å; R586-I718 WeakPolarHBondContact O-CA 3.37Å; M587-I718 HydrophobicContact CB-CG1 4.24Å; M587-I718 HydrophobicContact CE-CD1 3.86Å; M587-I718 HydrophobicContact CE-CG1 3.94Å; M587-I718 HydrophobicContact CG-CG1 4.27Å; I718-L727 WeakPolarHBondContact O-CA 3.36Å; I718-L727 WeakPolarHBondContact O-CB 3.39Å; I718-L727 PolarHBondContact O-N 2.69Å; I718-F728 HydrophobicContact CB-CB 4.19Å; I718-F728 HydrophobicContact CB-CD2 3.99Å; I718-F728 HydrophobicContact CD1-CB 4.45Å; I718-F728 HydrophobicContact CD1-CD2 3.8Å; I718-F728 HydrophobicContact CD1-CE2 4.31Å; I718-F728 HydrophobicContact CD1-CG 4.36Å; I718-F728 HydrophobicContact CG1-CB 4.47Å; I718-F728 HydrophobicContact CG1-CD2 4.38Å; I718-F728 HydrophobicContact CG2-CD2 4.47Å; I718-F728 PolarHBondContact N-O 3.35Å; I718-F728 PolarHBondContact O-N 2.9Å
719V83Confident82.9Confident3 Ų316.5 Ų16.52%0.0188%0.08CC..EExtended strand (participates in β ladder)trans-129.5128-169-173.80000110.4L585 R586 Y588 M614 A717 T721 A725 L726L585-V719 WeakPolarHBondContact CA-O 3.33Å; R586-V719 PolarHBondContact N-O 3.44Å; R586-V719 VanDerWaalsContact N-O 3.08Å; R586-V719 PolarHBondContact O-N 3.21Å; Y588-V719 HydrophobicContact CD2-CB 4.41Å; Y588-V719 HydrophobicContact CD2-CG2 4.09Å; Y588-V719 HydrophobicContact CE2-CB 4.36Å; Y588-V719 HydrophobicContact CE2-CG2 4.44Å; M614-V719 HydrophobicContact CE-CG2 4.34Å; M614-V719 HydrophobicContact SD-CG2 3.91Å; A717-V719 HydrophobicContact CB-CG2 4.31Å; V719-T721 HydrophobicContact CG1-CG2 4.39Å; V719-A725 WeakPolarHBondContact CA-O 3.31Å; V719-L726 HydrophobicContact CG2-CG 4.28Å
720D75.7Confident82.5Confident2 Ų214.2 Ų14.21%0.0117%0.067CC..EExtended strand (participates in β ladder)trans-81.1114162.7177.2-57.5000108.5F584 L585 R722 F723 K724 A725 L727F584-D720 VanDerWaalsContact CD2-OD2 3.27Å; F584-D720 WeakPolarHBondContact CD2-OD2 3.29Å; L585-D720 HydrophobicContact CD2-CB 4.14Å; D720-R722 PolarHBondContact O-N 2.78Å; D720-R722 WeakPolarHBondContact OD1-CA 3.47Å; D720-R722 VanDerWaalsContact OD1-CB 3.25Å; D720-R722 WeakPolarHBondContact OD1-CB 3.4Å; D720-R722 PolarHBondContact OD1-N 3.03Å; D720-R722 IonicContact OD1-NE 3.83Å; D720-R722 PolarHBondContact OD1-NE 3.05Å; D720-R722 IonicContact OD2-CZ 3.7Å; D720-R722 IonicContact OD2-NE 3.72Å; D720-R722 PolarHBondContact OD2-NE 3.25Å; D720-R722 VanDerWaalsContact OD2-NE 3.14Å; D720-R722 IonicContact OD2-NH2 3.75Å; D720-R722 PolarHBondContact OD2-NH2 2.88Å; D720-F723 WeakPolarHBondContact OD1-CD2 3.23Å; D720-F723 PolarHBondContact OD1-N 3.26Å; D720-F723 VanDerWaalsContact OD1-N 3.08Å; D720-K724 CarbonylContact O-C 3.52Å; D720-K724 WeakPolarHBondContact O-CA 3.34Å; D720-K724 PolarHBondContact O-N 2.77Å; D720-A725 PolarHBondContact N-O 3.25Å; D720-A725 VanDerWaalsContact N-O 3.14Å; D720-A725 PolarHBondContact O-N 3.25Å; D720-A725 VanDerWaalsContact O-N 3.11Å; D720-L727 HydrophobicContact CB-CD1 4.01Å; D720-L727 HydrophobicContact CB-CG 4.41Å
721T75.1Confident82.2Confident33 Ų3315.1 Ų15.120%0.2027%0.07CC..THydrogen-bonded Turntrans-86.35-175.374.10000115F584 R586 V719F584-T721 WeakPolarHBondContact O-CG2 3.4Å; F584-T721 PolarHBondContact O-N 3.27Å; F584-T721 PolarHBondContact O-OG1 2.59Å; F584-T721 VanDerWaalsContact O-OG1 3.08Å; R586-T721 PolarHBondContact NH1-OG1 2.89Å; V719-T721 HydrophobicContact CG1-CG2 4.39Å
722R64.4Low81.9Confident89 Ų8913.5 Ų13.534%0.3366%0.061SC..THydrogen-bonded Turntrans-79.8-46.7167.5-60.5166.4-62.3175.83.9109.8S439 F584 D720S439-R722 PolarHBondContact OG-NH2 3.3Å; F584-R722 HydrophobicContact CB-CG 3.64Å; F584-R722 HydrophobicContact CG-CG 4.12Å; D720-R722 PolarHBondContact O-N 2.78Å; D720-R722 WeakPolarHBondContact OD1-CA 3.47Å; D720-R722 VanDerWaalsContact OD1-CB 3.25Å; D720-R722 WeakPolarHBondContact OD1-CB 3.4Å; D720-R722 PolarHBondContact OD1-N 3.03Å; D720-R722 IonicContact OD1-NE 3.83Å; D720-R722 PolarHBondContact OD1-NE 3.05Å; D720-R722 IonicContact OD2-CZ 3.7Å; D720-R722 IonicContact OD2-NE 3.72Å; D720-R722 PolarHBondContact OD2-NE 3.25Å; D720-R722 VanDerWaalsContact OD2-NE 3.14Å; D720-R722 IonicContact OD2-NH2 3.75Å; D720-R722 PolarHBondContact OD2-NH2 2.88Å
723F61.2Low81.4Confident66 Ų6614.1 Ų14.129%0.2897%0.065SC..THydrogen-bonded Turntrans-102.3-0.8-179.3-51.6-73000112.7H188 V432 A436 D720 A725H188-F723 PolarHBondContact ND1-O 3.36Å; V432-F723 HydrophobicContact CG1-CD1 3.74Å; V432-F723 HydrophobicContact CG1-CE1 4.24Å; V432-F723 HydrophobicContact CG1-CG 4.5Å; A436-F723 HydrophobicContact CB-CB 4.23Å; A436-F723 HydrophobicContact CB-CD2 3.37Å; A436-F723 HydrophobicContact CB-CE2 3.91Å; A436-F723 HydrophobicContact CB-CG 3.92Å; D720-F723 WeakPolarHBondContact OD1-CD2 3.23Å; D720-F723 PolarHBondContact OD1-N 3.26Å; D720-F723 VanDerWaalsContact OD1-N 3.08Å; F723-A725 HydrophobicContact CB-CB 4.28Å; F723-A725 PolarHBondContact O-N 3.49Å
724K63Low80.4Confident29 Ų2914 Ų1413%0.1266%0.064CC..THydrogen-bonded Turntrans41.934.4-171.1-56.5-117.6-153.1170.60112.4E186 H188 N615 D720E186-K724 WeakPolarHBondContact O-CB 3.37Å; E186-K724 WeakPolarHBondContact O-CD 3.37Å; E186-K724 WeakPolarHBondContact O-CE 3.48Å; E186-K724 WeakPolarHBondContact O-CG 3.45Å; E186-K724 IonicContact OE2-NZ 3.71Å; E186-K724 PolarHBondContact OE2-NZ 2.65Å; H188-K724 HydrophobicContact CB-CB 3.99Å; H188-K724 PolarHBondContact ND1-O 2.67Å; N615-K724 PolarHBondContact OD1-NZ 2.86Å; D720-K724 CarbonylContact O-C 3.52Å; D720-K724 WeakPolarHBondContact O-CA 3.34Å; D720-K724 PolarHBondContact O-N 2.77Å
725A67.2Low78.7Confident2 Ų215.7 Ų15.72%0.0178%0.075CC..EExtended strand (participates in β ladder)trans-78.5123.3-176.500000108.6L433 V719 D720 F723 L727L433-A725 HydrophobicContact CD1-CB 4.11Å; V719-A725 WeakPolarHBondContact CA-O 3.31Å; D720-A725 PolarHBondContact N-O 3.25Å; D720-A725 VanDerWaalsContact N-O 3.14Å; D720-A725 PolarHBondContact O-N 3.25Å; D720-A725 VanDerWaalsContact O-N 3.11Å; F723-A725 HydrophobicContact CB-CB 4.28Å; F723-A725 PolarHBondContact O-N 3.49Å; A725-L727 HydrophobicContact CB-CD2 3.61Å; A725-L727 WeakPolarHBondContact O-CG 3.3Å; A725-L727 PolarHBondContact O-N 2.95Å; A725-L727 VanDerWaalsContact O-N 3.15Å
726L77.5Confident76.5Confident11 Ų1121.2 Ų21.26%0.05810%0.104CC..EExtended strand (participates in β ladder)trans-83.293.4-179.1-153.5153.9000107.8P390 L610 L611 A717 V719 F728 L729P390-L726 WeakPolarHBondContact CD-O 3.45Å; P390-L726 HydrophobicContact CG-CD2 3.89Å; L610-L726 HydrophobicContact CD2-CD1 4.29Å; L611-L726 HydrophobicContact CD1-CD1 4.43Å; L611-L726 HydrophobicContact CD2-CD1 4.22Å; L611-L726 HydrophobicContact CG-CD1 4.28Å; A717-L726 HydrophobicContact CB-CD2 4.13Å; A717-L726 HydrophobicContact CB-CG 4.37Å; V719-L726 HydrophobicContact CG2-CG 4.28Å; L726-F728 WeakPolarHBondContact CD2-O 3.07Å; L726-L729 HydrophobicContact CD2-CB 3.63Å; L726-L729 HydrophobicContact CD2-CD1 4.26Å; L726-L729 HydrophobicContact CD2-CD2 4.45Å; L726-L729 HydrophobicContact CD2-CG 4.32Å
727L78.4Confident74Confident1 Ų126.4 Ų26.41%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-82.7-30.3-166.3-52.3-172.7000112.7S389 A391 L437 W449 L585 I718 D720 A725S389-L727 VanDerWaalsContact CA-O 3.24Å; S389-L727 WeakPolarHBondContact CA-O 3.23Å; S389-L727 WeakPolarHBondContact CB-O 3.46Å; S389-L727 PolarHBondContact OG-O 2.63Å; A391-L727 HydrophobicContact CB-CD2 4.18Å; L437-L727 HydrophobicContact CD2-CD2 4.05Å; W449-L727 HydrophobicContact CH2-CB 3.57Å; W449-L727 HydrophobicContact CH2-CD1 3.84Å; W449-L727 HydrophobicContact CH2-CG 4.32Å; W449-L727 HydrophobicContact CZ2-CB 3.83Å; W449-L727 HydrophobicContact CZ2-CD1 3.29Å; W449-L727 HydrophobicContact CZ2-CG 4.21Å; L585-L727 HydrophobicContact CD2-CD1 3.75Å; I718-L727 WeakPolarHBondContact O-CA 3.36Å; I718-L727 WeakPolarHBondContact O-CB 3.39Å; I718-L727 PolarHBondContact O-N 2.69Å; D720-L727 HydrophobicContact CB-CD1 4.01Å; D720-L727 HydrophobicContact CB-CG 4.41Å; A725-L727 HydrophobicContact CB-CD2 3.61Å; A725-L727 WeakPolarHBondContact O-CG 3.3Å; A725-L727 PolarHBondContact O-N 2.95Å; A725-L727 VanDerWaalsContact O-N 3.15Å
728F85.2Confident71.5Confident0 Ų027.6 Ų27.60%014%0.137CC..EExtended strand (participates in β ladder)trans-135.9146.4163.9-69.4-93.2000110L387 F388 W449 V525 F527 T675 I677 A717 I718 L726L387-F728 HydrophobicContact CD1-CB 4.03Å; L387-F728 HydrophobicContact CD1-CD1 3.77Å; L387-F728 HydrophobicContact CD1-CG 4.32Å; L387-F728 HydrophobicContact CD2-CD1 4.31Å; L387-F728 HydrophobicContact CD2-CE1 4.49Å; L387-F728 HydrophobicContact CG-CD1 4.12Å; F388-F728 CarbonylContact O-C 3.58Å; F388-F728 VanDerWaalsContact O-CA 3.28Å; F388-F728 WeakPolarHBondContact O-CA 3.5Å; W449-F728 AromaticContact CH2-CD2 3.77Å; W449-F728 HydrophobicContact CH2-CD2 3.77Å; W449-F728 AromaticContact CH2-CE2 3.27Å; W449-F728 HydrophobicContact CH2-CE2 3.27Å; W449-F728 HydrophobicContact CH2-CZ 4.15Å; W449-F728 HydrophobicContact CZ2-CD2 4.46Å; W449-F728 HydrophobicContact CZ2-CE2 4.03Å; W449-F728 AromaticContact CZ3-CE2 3.92Å; W449-F728 HydrophobicContact CZ3-CE2 3.92Å; W449-F728 HydrophobicContact CZ3-CZ 4.39Å; V525-F728 HydrophobicContact CG1-CE1 3.6Å; V525-F728 HydrophobicContact CG1-CE2 4.19Å; V525-F728 HydrophobicContact CG1-CZ 3.34Å; F527-F728 HydrophobicContact CB-CE2 3.41Å; F527-F728 VanDerWaalsContact CB-CE2 3.41Å; F527-F728 HydrophobicContact CB-CZ 3.68Å; F527-F728 HydrophobicContact CD1-CE2 4.09Å; F527-F728 AromaticContact CG-CE2 3.94Å; F527-F728 HydrophobicContact CG-CE2 3.94Å; T675-F728 HydrophobicContact CG2-CD1 4.06Å; T675-F728 HydrophobicContact CG2-CE1 3.72Å; I677-F728 HydrophobicContact CG2-CD1 4.48Å; I677-F728 HydrophobicContact CG2-CE1 3.95Å; I677-F728 HydrophobicContact CG2-CE2 4.18Å; I677-F728 HydrophobicContact CG2-CZ 3.76Å; A717-F728 CarbonylContact C-O 3.58Å; A717-F728 WeakPolarHBondContact CA-O 3.46Å; A717-F728 VanDerWaalsContact CB-O 3.28Å; A717-F728 WeakPolarHBondContact CB-O 3.38Å; I718-F728 HydrophobicContact CB-CB 4.19Å; I718-F728 HydrophobicContact CB-CD2 3.99Å; I718-F728 HydrophobicContact CD1-CB 4.45Å; I718-F728 HydrophobicContact CD1-CD2 3.8Å; I718-F728 HydrophobicContact CD1-CE2 4.31Å; I718-F728 HydrophobicContact CD1-CG 4.36Å; I718-F728 HydrophobicContact CG1-CB 4.47Å; I718-F728 HydrophobicContact CG1-CD2 4.38Å; I718-F728 HydrophobicContact CG2-CD2 4.47Å; I718-F728 PolarHBondContact N-O 3.35Å; I718-F728 PolarHBondContact O-N 2.9Å; L726-F728 WeakPolarHBondContact CD2-O 3.07Å
729L86.8Confident69.1Low1 Ų129.5 Ų29.51%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-130133.5165.1-172.254.7000108.3W375 Y378 F388 P390 L610 L715 A717 L726W375-L729 HydrophobicContact CE3-CD2 4.06Å; W375-L729 HydrophobicContact CZ3-CD2 4.29Å; Y378-L729 HydrophobicContact CD2-CD2 3.68Å; Y378-L729 HydrophobicContact CD2-CG 3.66Å; Y378-L729 HydrophobicContact CE2-CG 4.21Å; Y378-L729 HydrophobicContact CG-CD2 3.76Å; Y378-L729 HydrophobicContact CG-CG 4.26Å; F388-L729 HydrophobicContact CE1-CB 4.26Å; F388-L729 HydrophobicContact CE1-CD2 4.45Å; F388-L729 HydrophobicContact CZ-CB 4.38Å; F388-L729 HydrophobicContact CZ-CD2 4.31Å; F388-L729 PolarHBondContact N-O 2.75Å; F388-L729 PolarHBondContact O-N 2.88Å; P390-L729 HydrophobicContact CG-CB 4.15Å; L610-L729 HydrophobicContact CD2-CD1 3.79Å; L715-L729 HydrophobicContact CD1-CD1 4.23Å; L715-L729 HydrophobicContact CG-CD1 4.44Å; A717-L729 HydrophobicContact CB-CD1 4.08Å; L726-L729 HydrophobicContact CD2-CB 3.63Å; L726-L729 HydrophobicContact CD2-CD1 4.26Å; L726-L729 HydrophobicContact CD2-CD2 4.45Å; L726-L729 HydrophobicContact CD2-CG 4.32Å
730G87.1Confident66.7Low0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-154.1163.1-178.600000114.6T386 L715 F716T386-G730 CarbonylContact O-C 3.48Å; T386-G730 WeakPolarHBondContact O-CA 3.41Å; L715-G730 WeakPolarHBondContact CD1-O 3.5Å; F716-G730 PolarHBondContact N-O 3.33Å; F716-G730 PolarHBondContact O-N 2.9Å
731R87.9Confident64.6Low19 Ų1936.5 Ų36.57%0.07219%0.185CC..EExtended strand (participates in β ladder)trans-119.7120.6173.9-178.8-179.9-59.9172.322.9107.7Y378 N385 T386 L598 E602 F631 T733Y378-R731 PolarHBondContact OH-NE 3.25Å; Y378-R731 PolarHBondContact OH-NH2 3.21Å; N385-R731 PolarHBondContact OD1-O 2.98Å; T386-R731 PolarHBondContact N-O 3.4Å; T386-R731 PolarHBondContact O-N 3.39Å; L598-R731 HydrophobicContact CD2-CG 3.75Å; E602-R731 VanDerWaalsContact CD-NE 3.34Å; E602-R731 VanDerWaalsContact CD-NH2 3.31Å; E602-R731 IonicContact OE1-CZ 3.13Å; E602-R731 VanDerWaalsContact OE1-CZ 3.27Å; E602-R731 IonicContact OE1-NE 2.73Å; E602-R731 PolarHBondContact OE1-NE 2.77Å; E602-R731 IonicContact OE1-NH2 3.52Å; E602-R731 PolarHBondContact OE1-NH2 3.34Å; E602-R731 IonicContact OE2-CZ 2.63Å; E602-R731 IonicContact OE2-NE 2.74Å; E602-R731 PolarHBondContact OE2-NE 3.49Å; E602-R731 IonicContact OE2-NH1 3.4Å; E602-R731 PolarHBondContact OE2-NH1 3.45Å; E602-R731 IonicContact OE2-NH2 3.54Å; E602-R731 PolarHBondContact OE2-NH2 2.93Å; F631-R731 WeakPolarHBondContact CZ-O 3.3Å; R731-T733 HydrophobicContact CG-CG2 3.84Å
732F88.1Confident62.7Low6 Ų640.7 Ų40.73%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-92116166.3-173.1-113.1000109.5F545 L555 P627 F629 F631 P713 F714 F716 V734F545-F732 HydrophobicContact CD2-CE1 4.24Å; F545-F732 HydrophobicContact CE1-CE1 4.47Å; F545-F732 AromaticContact CE2-CD1 3.78Å; F545-F732 HydrophobicContact CE2-CD1 3.78Å; F545-F732 AromaticContact CE2-CE1 3.52Å; F545-F732 HydrophobicContact CE2-CE1 3.52Å; F545-F732 AromaticContact CZ-CD1 3.73Å; F545-F732 HydrophobicContact CZ-CD1 3.73Å; F545-F732 AromaticContact CZ-CE1 3.64Å; F545-F732 HydrophobicContact CZ-CE1 3.64Å; L555-F732 HydrophobicContact CD1-CE1 4.18Å; L555-F732 HydrophobicContact CD1-CZ 4.23Å; P627-F732 HydrophobicContact CB-CE1 4.4Å; P627-F732 HydrophobicContact CG-CD1 4.3Å; P627-F732 HydrophobicContact CG-CE1 3.72Å; P627-F732 HydrophobicContact CG-CZ 4.38Å; F629-F732 HydrophobicContact CB-CD2 4.07Å; F629-F732 HydrophobicContact CB-CE2 3.56Å; F629-F732 HydrophobicContact CB-CZ 3.97Å; F629-F732 HydrophobicContact CD2-CD2 4.45Å; F629-F732 HydrophobicContact CG-CD2 4.18Å; F629-F732 HydrophobicContact CG-CE2 4.16Å; F631-F732 HydrophobicContact CE2-CB 4.4Å; F631-F732 AromaticContact CE2-CD2 3.73Å; F631-F732 HydrophobicContact CE2-CD2 3.73Å; F631-F732 HydrophobicContact CZ-CB 4.31Å; F631-F732 AromaticContact CZ-CD2 3.87Å; F631-F732 HydrophobicContact CZ-CD2 3.87Å; P713-F732 VanDerWaalsContact CA-O 3.23Å; P713-F732 WeakPolarHBondContact CA-O 3.3Å; F714-F732 HydrophobicContact CD1-CB 4.39Å; F714-F732 HydrophobicContact CD1-CD1 4.08Å; F714-F732 HydrophobicContact CD2-CB 3.83Å; F714-F732 HydrophobicContact CE1-CB 4.08Å; F714-F732 AromaticContact CE1-CD1 3.4Å; F714-F732 HydrophobicContact CE1-CD1 3.4Å; F714-F732 VanDerWaalsContact CE1-CD1 3.4Å; F714-F732 HydrophobicContact CE1-CE1 4.21Å; F714-F732 HydrophobicContact CE1-CG 4.09Å; F714-F732 HydrophobicContact CE2-CB 3.46Å; F714-F732 VanDerWaalsContact CE2-CB 3.46Å; F714-F732 HydrophobicContact CE2-CD1 4.3Å; F714-F732 HydrophobicContact CE2-CG 4.16Å; F714-F732 HydrophobicContact CG-CB 4.29Å; F714-F732 HydrophobicContact CZ-CB 3.6Å; F714-F732 AromaticContact CZ-CD1 3.53Å; F714-F732 HydrophobicContact CZ-CD1 3.53Å; F714-F732 HydrophobicContact CZ-CE1 4.44Å; F714-F732 AromaticContact CZ-CG 3.77Å; F714-F732 HydrophobicContact CZ-CG 3.77Å; F714-F732 PolarHBondContact N-O 2.86Å; F714-F732 PolarHBondContact O-N 3.34Å; F716-F732 HydrophobicContact CD1-CB 4.31Å; F716-F732 HydrophobicContact CE1-CB 4.2Å; F732-V734 HydrophobicContact CE1-CG2 3.95Å; F732-V734 HydrophobicContact CZ-CG2 3.72Å
733T82.5Confident61.2Low21 Ų2143.4 Ų43.413%0.12922%0.218CC..  trans-122.4155.5158.978.30000106.7N385 P713 R731 Q738N385-T733 PolarHBondContact ND2-O 3.3Å; N385-T733 PolarHBondContact OD1-N 2.75Å; N385-T733 PolarHBondContact OD1-O 3.49Å; P713-T733 HydrophobicContact CB-CG2 4.16Å; P713-T733 HydrophobicContact CG-CG2 4.46Å; R731-T733 HydrophobicContact CG-CG2 3.84Å; T733-Q738 PolarHBondContact O-OE1 3.29Å
734V70.2Confident59.6Low7 Ų743.1 Ų43.14%0.04222%0.22CC..  trans-93.7112161.7-174.80000106.4F545 R547 V553 L555 F732 Q738 C739F545-V734 HydrophobicContact CD1-CB 4.25Å; F545-V734 HydrophobicContact CD1-CG2 3.67Å; F545-V734 HydrophobicContact CE1-CB 4.17Å; F545-V734 HydrophobicContact CE1-CG2 3.64Å; F545-V734 HydrophobicContact CG-CG2 4.26Å; F545-V734 HydrophobicContact CZ-CG2 4.19Å; R547-V734 WeakPolarHBondContact CD-O 3.35Å; R547-V734 HydrophobicContact CG-CB 4.18Å; R547-V734 WeakPolarHBondContact CG-O 3.35Å; V553-V734 HydrophobicContact CG2-CB 4.22Å; V553-V734 HydrophobicContact CG2-CG1 4.11Å; V553-V734 HydrophobicContact CG2-CG2 4.21Å; L555-V734 HydrophobicContact CD1-CG2 3.85Å; L555-V734 HydrophobicContact CD2-CG2 4.06Å; L555-V734 HydrophobicContact CG-CG2 4.5Å; F732-V734 HydrophobicContact CE1-CG2 3.95Å; F732-V734 HydrophobicContact CZ-CG2 3.72Å; V734-Q738 HydrophobicContact CG1-CB 4.39Å; V734-C739 HydrophobicContact CG1-CB 4.43Å; V734-C739 WeakPolarHBondContact CG1-SG 3.39Å
735T58.4Low58.2Low36 Ų3646.4 Ų46.422%0.22124%0.238CC..  trans-78.2160.8170.563.70000109.4Q384 L737 Q738 C739Q384-T735 HydrophobicContact CB-CG2 4.35Å; T735-L737 PolarHBondContact O-N 3.1Å; T735-L737 PolarHBondContact OG1-N 2.74Å; T735-Q738 PolarHBondContact O-N 2.87Å; T735-Q738 WeakPolarHBondContact OG1-CB 3.34Å; T735-Q738 PolarHBondContact OG1-N 2.73Å; T735-Q738 VanDerWaalsContact OG1-N 3.11Å; T735-C739 PolarHBondContact O-N 3.02Å; T735-C739 VanDerWaalsContact O-N 3.15Å
736L45Very low56.6Low118 Ų11848.6 Ų48.662%0.61825%0.247SC*.Hα-helixtrans-51.9-42165.5-96.4166000110Q738 L740L736-Q738 PolarHBondContact O-N 2.8Å; L736-Q738 VanDerWaalsContact O-N 3.14Å; L736-L740 WeakPolarHBondContact O-CB 3.36Å; L736-L740 WeakPolarHBondContact O-CD1 3.49Å; L736-L740 WeakPolarHBondContact O-CG 3.2Å; L736-L740 PolarHBondContact O-N 3.43Å
737L38.5Very low54.2Low110 Ų11050.6 Ų50.658%0.57626%0.261SS*.Hα-helixtrans-63.7-6.9173.4-120.6163.5000114.9T735 M741T735-L737 PolarHBondContact O-N 3.1Å; T735-L737 PolarHBondContact OG1-N 2.74Å; L737-M741 HydrophobicContact CD2-CG 4.49Å; L737-M741 WeakPolarHBondContact O-CB 3.27Å; L737-M741 WeakPolarHBondContact O-CG 3.19Å; L737-M741 PolarHBondContact O-N 3.13Å
738Q38.9Very low51.9Low26 Ų2658.5 Ų58.512%0.12129%0.291CS..Hα-helixtrans-114.5-29.2-179.4-151.3-172.528.800114.9N385 T733 V734 T735 L736 M741 H742N385-Q738 VanDerWaalsContact ND2-CD 3.26Å; N385-Q738 PolarHBondContact ND2-OE1 3.12Å; T733-Q738 PolarHBondContact O-OE1 3.29Å; V734-Q738 HydrophobicContact CG1-CB 4.39Å; T735-Q738 PolarHBondContact O-N 2.87Å; T735-Q738 WeakPolarHBondContact OG1-CB 3.34Å; T735-Q738 PolarHBondContact OG1-N 2.73Å; T735-Q738 VanDerWaalsContact OG1-N 3.11Å; L736-Q738 PolarHBondContact O-N 2.8Å; L736-Q738 VanDerWaalsContact O-N 3.14Å; Q738-M741 HydrophobicContact CG-CB 4.45Å; Q738-M741 PolarHBondContact O-N 3.26Å; Q738-H742 PolarHBondContact O-N 3.25Å; Q738-H742 PolarHBondContact O-ND1 3.47Å
739C37.2Very low49.5Very low40 Ų4063.2 Ų63.227%0.2732%0.316SS..Hα-helixtrans-58.9-46.9151.2-76.40000109V553 V734 T735 M741 H742 H743V553-C739 WeakPolarHBondContact CB-SG 3.48Å; V553-C739 WeakPolarHBondContact CG1-SG 2.93Å; V734-C739 HydrophobicContact CG1-CB 4.43Å; V734-C739 WeakPolarHBondContact CG1-SG 3.39Å; T735-C739 PolarHBondContact O-N 3.02Å; T735-C739 VanDerWaalsContact O-N 3.15Å; C739-M741 PolarHBondContact O-N 3.05Å; C739-H742 PolarHBondContact O-N 3.11Å; C739-H742 VanDerWaalsContact O-N 3.16Å; C739-H743 PolarHBondContact O-N 2.94Å
740L31.7Very low47.2Very low77 Ų7763.9 Ų63.940%0.40332%0.32SS..Hα-helixtrans-60-42169.8-70.8170.7000110.6L736 H742 H743 L744L736-L740 WeakPolarHBondContact O-CB 3.36Å; L736-L740 WeakPolarHBondContact O-CD1 3.49Å; L736-L740 WeakPolarHBondContact O-CG 3.2Å; L736-L740 PolarHBondContact O-N 3.43Å; L740-H742 VanDerWaalsContact C-N 3.3Å; L740-H742 PolarHBondContact O-N 3.38Å; L740-H743 CarbonylContact O-C 3.37Å; L740-H743 WeakPolarHBondContact O-CA 3.19Å; L740-H743 VanDerWaalsContact O-CB 3.28Å; L740-H743 WeakPolarHBondContact O-CB 3.39Å; L740-H743 PolarHBondContact O-N 2.95Å; L740-L744 HydrophobicContact CB-CD1 3.63Å; L740-L744 HydrophobicContact CB-CG 3.88Å; L740-L744 HydrophobicContact CD1-CD1 4.47Å; L740-L744 HydrophobicContact CD2-CD1 4.48Å; L740-L744 HydrophobicContact CG-CD1 4.42Å; L740-L744 VanDerWaalsContact O-CA 3.28Å; L740-L744 WeakPolarHBondContact O-CA 3.42Å; L740-L744 WeakPolarHBondContact O-CB 3.45Å; L740-L744 WeakPolarHBondContact O-CG 3.27Å; L740-L744 PolarHBondContact O-N 3.07Å
741M31.6Very low45.4Very low75 Ų7564.7 Ų64.737%0.36932%0.324SS..Hα-helixtrans-66.7-15.5174.2-80.5170.175.200116.5L737 Q738 C739 L744 L745L737-M741 HydrophobicContact CD2-CG 4.49Å; L737-M741 WeakPolarHBondContact O-CB 3.27Å; L737-M741 WeakPolarHBondContact O-CG 3.19Å; L737-M741 PolarHBondContact O-N 3.13Å; Q738-M741 HydrophobicContact CG-CB 4.45Å; Q738-M741 PolarHBondContact O-N 3.26Å; C739-M741 PolarHBondContact O-N 3.05Å; M741-L744 HydrophobicContact CG-CB 4.39Å; M741-L744 PolarHBondContact O-N 2.93Å; M741-L745 HydrophobicContact CB-CD1 4.42Å; M741-L745 HydrophobicContact CB-CG 4.27Å; M741-L745 HydrophobicContact CE-CD1 4.13Å; M741-L745 HydrophobicContact CE-CD2 3.86Å; M741-L745 HydrophobicContact CE-CG 3.78Å; M741-L745 WeakPolarHBondContact O-CB 3.37Å; M741-L745 PolarHBondContact O-N 2.89Å
742H36.7Very low43.8Very low120 Ų12067.9 Ų67.956%0.55634%0.343SS*.Hα-helixtrans-77.5-10.8161.9-82.485.9000113.1Q738 C739 L740Q738-H742 PolarHBondContact O-N 3.25Å; Q738-H742 PolarHBondContact O-ND1 3.47Å; C739-H742 PolarHBondContact O-N 3.11Å; C739-H742 VanDerWaalsContact O-N 3.16Å; L740-H742 VanDerWaalsContact C-N 3.3Å; L740-H742 PolarHBondContact O-N 3.38Å
743H31.9Very low42.3Very low146 Ų14670.8 Ų70.868%0.67636%0.361SS*.Hα-helixtrans-107.3-4.7163-83.1-3.3000114.1C739 L740 F746C739-H743 PolarHBondContact O-N 2.94Å; L740-H743 CarbonylContact O-C 3.37Å; L740-H743 WeakPolarHBondContact O-CA 3.19Å; L740-H743 VanDerWaalsContact O-CB 3.28Å; L740-H743 WeakPolarHBondContact O-CB 3.39Å; L740-H743 PolarHBondContact O-N 2.95Å; H743-F746 WeakPolarHBondContact O-CB 3.1Å; H743-F746 VanDerWaalsContact O-O 3.1Å
744L27.7Very low41.4Very low61 Ų6176.5 Ų76.532%0.31938%0.384SS..Hα-helixtrans-140.22.7-163.8-61.4-171.4000114.5L740 M741 F746 C747L740-L744 HydrophobicContact CB-CD1 3.63Å; L740-L744 HydrophobicContact CB-CG 3.88Å; L740-L744 HydrophobicContact CD1-CD1 4.47Å; L740-L744 HydrophobicContact CD2-CD1 4.48Å; L740-L744 HydrophobicContact CG-CD1 4.42Å; L740-L744 VanDerWaalsContact O-CA 3.28Å; L740-L744 WeakPolarHBondContact O-CA 3.42Å; L740-L744 WeakPolarHBondContact O-CB 3.45Å; L740-L744 WeakPolarHBondContact O-CG 3.27Å; L740-L744 PolarHBondContact O-N 3.07Å; M741-L744 HydrophobicContact CG-CB 4.39Å; M741-L744 PolarHBondContact O-N 2.93Å; L744-F746 VanDerWaalsContact C-C 3.43Å; L744-F746 VanDerWaalsContact CA-C 3.5Å; L744-F746 WeakPolarHBondContact CA-O 3.2Å; L744-C747 VanDerWaalsContact C-N 3.33Å; L744-C747 HydrophobicContact CB-CB 3.66Å; L744-C747 HydrophobicContact CD2-CB 3.57Å; L744-C747 HydrophobicContact CG-CB 4.12Å; L744-C747 WeakPolarHBondContact O-CA 3.44Å; L744-C747 VanDerWaalsContact O-CB 3.29Å; L744-C747 WeakPolarHBondContact O-CB 3.13Å; L744-C747 PolarHBondContact O-N 2.9Å
745L33.6Very low41.3Very low97 Ų9778.9 Ų78.951%0.50839%0.394SS..SBendtrans-70.9-26.8147.2-83.2158.3000109.6M741 C747 E1116M741-L745 HydrophobicContact CB-CD1 4.42Å; M741-L745 HydrophobicContact CB-CG 4.27Å; M741-L745 HydrophobicContact CE-CD1 4.13Å; M741-L745 HydrophobicContact CE-CD2 3.86Å; M741-L745 HydrophobicContact CE-CG 3.78Å; M741-L745 WeakPolarHBondContact O-CB 3.37Å; M741-L745 PolarHBondContact O-N 2.89Å; L745-C747 PolarHBondContact O-N 3.38Å; L745-C747 VanDerWaalsContact O-N 3.13Å; L745-E1116 WeakPolarHBondContact O-CG 3.32Å
746F34.7Very low42.2Very low49 Ų4977.2 Ų77.222%0.21538%0.384CS..SBendtrans-65.359.7140.4-92-105.7000110.3H743 L744 T750 T753 Y1009 E1116 Y1118H743-F746 WeakPolarHBondContact O-CB 3.1Å; H743-F746 VanDerWaalsContact O-O 3.1Å; L744-F746 VanDerWaalsContact C-C 3.43Å; L744-F746 VanDerWaalsContact CA-C 3.5Å; L744-F746 WeakPolarHBondContact CA-O 3.2Å; F746-T750 PolarHBondContact O-OG1 3.02Å; F746-T753 HydrophobicContact CD1-CG2 4.43Å; F746-T753 HydrophobicContact CE1-CG2 4.16Å; F746-Y1009 HydrophobicContact CE2-CD2 4.2Å; F746-Y1009 AromaticContact CE2-CE2 3.87Å; F746-Y1009 HydrophobicContact CE2-CE2 3.87Å; F746-Y1009 AromaticContact CZ-CD2 3.9Å; F746-Y1009 HydrophobicContact CZ-CD2 3.9Å; F746-Y1009 AromaticContact CZ-CE2 3.95Å; F746-Y1009 HydrophobicContact CZ-CE2 3.95Å; F746-E1116 WeakPolarHBondContact CD1-O 3.4Å; F746-E1116 WeakPolarHBondContact CE1-O 3.18Å; F746-E1116 WeakPolarHBondContact CG-O 3.49Å; F746-Y1118 HydrophobicContact CE1-CD2 4.03Å; F746-Y1118 HydrophobicContact CE1-CE2 4.36Å; F746-Y1118 HydrophobicContact CE2-CD2 4.33Å; F746-Y1118 AromaticContact CE2-CE2 3.83Å; F746-Y1118 HydrophobicContact CE2-CE2 3.83Å; F746-Y1118 AromaticContact CZ-CD2 3.48Å; F746-Y1118 HydrophobicContact CZ-CD2 3.48Å; F746-Y1118 VanDerWaalsContact CZ-CD2 3.48Å; F746-Y1118 AromaticContact CZ-CE2 3.41Å; F746-Y1118 HydrophobicContact CZ-CE2 3.41Å; F746-Y1118 VanDerWaalsContact CZ-CE2 3.41Å
747C26.4Very low44Very low53 Ų5375.2 Ų75.236%0.35837%0.372SS..  trans-169.140.3168.4-130.30000117.9L744 L745 L749 T750 E1116L744-C747 VanDerWaalsContact C-N 3.33Å; L744-C747 HydrophobicContact CB-CB 3.66Å; L744-C747 HydrophobicContact CD2-CB 3.57Å; L744-C747 HydrophobicContact CG-CB 4.12Å; L744-C747 WeakPolarHBondContact O-CA 3.44Å; L744-C747 VanDerWaalsContact O-CB 3.29Å; L744-C747 WeakPolarHBondContact O-CB 3.13Å; L744-C747 PolarHBondContact O-N 2.9Å; L745-C747 PolarHBondContact O-N 3.38Å; L745-C747 VanDerWaalsContact O-N 3.13Å; C747-L749 PolarHBondContact O-N 2.69Å; C747-L749 VanDerWaalsContact O-N 3.08Å; C747-T750 VanDerWaalsContact CA-OG1 3.28Å; C747-T750 WeakPolarHBondContact CA-OG1 3.5Å; C747-T750 PolarHBondContact SG-O 2.67Å; C747-T750 VanDerWaalsContact SG-O 3.4Å; C747-T750 PolarHBondContact SG-OG1 2.74Å; C747-T750 VanDerWaalsContact SG-OG1 3.33Å; C747-E1116 PolarHBondContact N-OE1 2.59Å
748R29.4Very low46.4Very low166 Ų16672 Ų7263%0.62636%0.358SS*.SBendtrans-75.882.1147.5-71.7-176.5167.4-177.32.3108.8T750 E1116R748-T750 PolarHBondContact O-N 3.05Å; R748-T750 VanDerWaalsContact O-N 3.09Å; R748-E1116 WeakPolarHBondContact CB-OE1 3.47Å; R748-E1116 PolarHBondContact N-OE1 3.45Å
749L35Very low48.8Very low100 Ų10070.8 Ų70.852%0.52435%0.352SS..SBendtrans57.916.1-175.4-82.9168.2000114.9C747 M751 I824C747-L749 PolarHBondContact O-N 2.69Å; C747-L749 VanDerWaalsContact O-N 3.08Å; L749-M751 PolarHBondContact O-N 3.38Å; L749-I824 HydrophobicContact CD1-CG2 4.32Å
750T38.4Very low51.3Low15 Ų1569.1 Ų69.19%0.09234%0.34CS..  trans-56.4139166.875.20000108.1F746 C747 R748 E1116 N1117F746-T750 PolarHBondContact O-OG1 3.02Å; C747-T750 VanDerWaalsContact CA-OG1 3.28Å; C747-T750 WeakPolarHBondContact CA-OG1 3.5Å; C747-T750 PolarHBondContact SG-O 2.67Å; C747-T750 VanDerWaalsContact SG-O 3.4Å; C747-T750 PolarHBondContact SG-OG1 2.74Å; C747-T750 VanDerWaalsContact SG-OG1 3.33Å; R748-T750 PolarHBondContact O-N 3.05Å; R748-T750 VanDerWaalsContact O-N 3.09Å; T750-E1116 HydrophobicContact CG2-CG 3.88Å; T750-E1116 VanDerWaalsContact CG2-OE1 3.28Å; T750-E1116 WeakPolarHBondContact CG2-OE1 3.5Å; T750-N1117 WeakPolarHBondContact CA-OD1 3.12Å; T750-N1117 WeakPolarHBondContact CB-OD1 3.28Å; T750-N1117 WeakPolarHBondContact CG2-OD1 3.37Å
751M49.9Very low54.1Low17 Ų1768.1 Ų68.18%0.08433%0.333CS..  trans-80.8146164.8-66.6157.363.400107.3L749 T753 Q755 L756 F822L749-M751 PolarHBondContact O-N 3.38Å; M751-T753 PolarHBondContact O-N 2.95Å; M751-Q755 HydrophobicContact CB-CB 4.12Å; M751-Q755 HydrophobicContact CE-CB 3.62Å; M751-L756 HydrophobicContact CB-CD2 4.22Å; M751-L756 HydrophobicContact CB-CG 4.1Å; M751-L756 HydrophobicContact CE-CD2 4.32Å; M751-L756 HydrophobicContact SD-CD2 3.9Å; M751-F822 HydrophobicContact CE-CB 3.8Å; M751-F822 HydrophobicContact CE-CD2 4.26Å; M751-F822 HydrophobicContact CE-CG 4.46Å; M751-F822 WeakPolarHBondContact SD-CA 3.23Å; M751-F822 HydrophobicContact SD-CB 3.51Å; M751-F822 VanDerWaalsContact SD-CB 3.51Å; M751-F822 HydrophobicContact SD-CD2 3.71Å; M751-F822 HydrophobicContact SD-CG 4.11Å
752D54.9Low57Low86 Ų8665 Ų6546%0.4632%0.318SS..  trans-39.5126.5159.9156.526.2000108.5K754 Q755D752-K754 PolarHBondContact O-N 3.3Å; D752-K754 PolarHBondContact OD1-N 2.95Å; D752-Q755 HydrophobicContact CB-CG 4.18Å; D752-Q755 WeakPolarHBondContact O-CA 3.46Å; D752-Q755 WeakPolarHBondContact O-CB 3.47Å; D752-Q755 PolarHBondContact O-N 3.43Å
753T55.3Low59.7Low66 Ų6659.3 Ų59.341%0.40529%0.291SS..Hα-helixtrans-56.3-28.2-166.748.90000112.1F746 M751 Q755 L756 E757F746-T753 HydrophobicContact CD1-CG2 4.43Å; F746-T753 HydrophobicContact CE1-CG2 4.16Å; M751-T753 PolarHBondContact O-N 2.95Å; T753-Q755 PolarHBondContact O-N 2.7Å; T753-L756 WeakPolarHBondContact O-CA 3.39Å; T753-L756 WeakPolarHBondContact O-CB 3.4Å; T753-L756 PolarHBondContact O-N 3.29Å; T753-E757 PolarHBondContact O-N 3.01Å
754K64.3Low62.6Low141 Ų14152.6 Ų52.661%0.61326%0.26SS*.Hα-helixtrans-63.5-19.2174.2-58.9-174175-177.40114.9D752 E757D752-K754 PolarHBondContact O-N 3.3Å; D752-K754 PolarHBondContact OD1-N 2.95Å; K754-E757 WeakPolarHBondContact CG-OE1 3.06Å
755Q68.1Low65.7Low57 Ų5751.4 Ų51.427%0.26626%0.257SS..Hα-helixtrans-92-15.5174.1-49.8-175.638.600111.9M751 D752 T753 Q818M751-Q755 HydrophobicContact CB-CB 4.12Å; M751-Q755 HydrophobicContact CE-CB 3.62Å; D752-Q755 HydrophobicContact CB-CG 4.18Å; D752-Q755 WeakPolarHBondContact O-CA 3.46Å; D752-Q755 WeakPolarHBondContact O-CB 3.47Å; D752-Q755 PolarHBondContact O-N 3.43Å; T753-Q755 PolarHBondContact O-N 2.7Å; Q755-Q818 VanDerWaalsContact OE1-NE2 3.12Å
756L77.8Confident68.4Low2 Ų246.8 Ų46.81%0.0123%0.233CC..Hα-helixtrans-89.8-29.6170.6-64.1175.7000112.1M751 T753 P758 V759 V760 F822 N1117 L1119M751-L756 HydrophobicContact CB-CD2 4.22Å; M751-L756 HydrophobicContact CB-CG 4.1Å; M751-L756 HydrophobicContact CE-CD2 4.32Å; M751-L756 HydrophobicContact SD-CD2 3.9Å; T753-L756 WeakPolarHBondContact O-CA 3.39Å; T753-L756 WeakPolarHBondContact O-CB 3.4Å; T753-L756 PolarHBondContact O-N 3.29Å; L756-P758 VanDerWaalsContact C-CD 3.45Å; L756-P758 VanDerWaalsContact C-N 3.34Å; L756-P758 VanDerWaalsContact O-N 3.15Å; L756-V759 WeakPolarHBondContact O-CA 3.12Å; L756-V759 WeakPolarHBondContact O-CB 3.35Å; L756-V759 PolarHBondContact O-N 3.24Å; L756-V760 HydrophobicContact CB-CG2 4.43Å; L756-V760 WeakPolarHBondContact O-CG2 3.36Å; L756-V760 PolarHBondContact O-N 3.49Å; L756-F822 HydrophobicContact CD2-CD2 3.94Å; L756-F822 HydrophobicContact CD2-CE2 4.05Å; L756-N1117 HydrophobicContact CD1-CB 4.16Å; L756-L1119 HydrophobicContact CD1-CD1 4.22Å; L756-L1119 HydrophobicContact CD1-CD2 4.3Å; L756-L1119 HydrophobicContact CD1-CG 4.41Å; L756-L1119 HydrophobicContact CD2-CD1 4.37Å
757E82Confident71.2Confident76 Ų7644.5 Ų44.536%0.35522%0.223SC..Hα-helixtrans-38.8-51.1175.9-81.5169.8-154.300114T753 K754 V759 V760 E761T753-E757 PolarHBondContact O-N 3.01Å; K754-E757 WeakPolarHBondContact CG-OE1 3.06Å; E757-V759 PolarHBondContact O-N 2.98Å; E757-V760 PolarHBondContact O-N 2.88Å; E757-E761 PolarHBondContact O-N 3.41Å
758P88Confident74.2Confident43 Ų4346.5 Ų46.528%0.27922%0.223SC..Hα-helixtrans-66.9-36.7-179.1-19.233.6000113.1L756 F762 M809L756-P758 VanDerWaalsContact C-CD 3.45Å; L756-P758 VanDerWaalsContact C-N 3.34Å; L756-P758 VanDerWaalsContact O-N 3.15Å; P758-F762 WeakPolarHBondContact O-CB 3.45Å; P758-F762 PolarHBondContact O-N 3.15Å; P758-M809 CarbonylContact C-O 3.58Å
759V90.4Very high77Confident0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-67.3-42.6177.4-173.90000109.5L756 E757 F762 M763 V787 M809 F810 F822L756-V759 WeakPolarHBondContact O-CA 3.12Å; L756-V759 WeakPolarHBondContact O-CB 3.35Å; L756-V759 PolarHBondContact O-N 3.24Å; E757-V759 PolarHBondContact O-N 2.98Å; V759-F762 WeakPolarHBondContact O-CB 3.46Å; V759-F762 PolarHBondContact O-N 2.87Å; V759-M763 HydrophobicContact CG1-CE 4.41Å; V759-M763 HydrophobicContact CG1-CG 4.44Å; V759-M763 WeakPolarHBondContact O-CB 3.39Å; V759-M763 VanDerWaalsContact O-CG 3.26Å; V759-M763 WeakPolarHBondContact O-CG 3.09Å; V759-M763 PolarHBondContact O-N 3.39Å; V759-V787 HydrophobicContact CG1-CG1 4.35Å; V759-M809 VanDerWaalsContact CA-O 3.3Å; V759-M809 WeakPolarHBondContact CA-O 3.41Å; V759-M809 WeakPolarHBondContact CG2-O 3.26Å; V759-M809 PolarHBondContact N-O 3.36Å; V759-F810 HydrophobicContact CG2-CD1 3.72Å; V759-F810 HydrophobicContact CG2-CE1 3.86Å; V759-F822 HydrophobicContact CB-CE2 4.41Å; V759-F822 HydrophobicContact CG1-CE1 4.37Å; V759-F822 HydrophobicContact CG1-CE2 3.91Å; V759-F822 HydrophobicContact CG1-CZ 3.62Å; V759-F822 HydrophobicContact CG2-CD2 4.25Å; V759-F822 HydrophobicContact CG2-CE2 4.03Å; V759-F822 HydrophobicContact CG2-CZ 4.24Å
760V89.6Confident79.3Confident4 Ų435.9 Ų35.92%0.02418%0.179CC..Hα-helixtrans-67.5-42.8-178.9173.40000111.2L756 E757 F762 M763 W764 G1001 Q1005 L1119L756-V760 HydrophobicContact CB-CG2 4.43Å; L756-V760 WeakPolarHBondContact O-CG2 3.36Å; L756-V760 PolarHBondContact O-N 3.49Å; E757-V760 PolarHBondContact O-N 2.88Å; V760-F762 VanDerWaalsContact C-N 3.34Å; V760-F762 PolarHBondContact O-N 3.32Å; V760-M763 HydrophobicContact CG2-CE 3.98Å; V760-M763 PolarHBondContact O-N 3.49Å; V760-W764 WeakPolarHBondContact O-CB 3.38Å; V760-W764 PolarHBondContact O-N 2.85Å; V760-G1001 WeakPolarHBondContact CG1-O 3.35Å; V760-Q1005 HydrophobicContact CG1-CG 3.92Å; V760-L1119 HydrophobicContact CG2-CD2 3.48Å; V760-L1119 VanDerWaalsContact CG2-CD2 3.48Å
761E91.1Very high81.5Confident56 Ų5635.2 Ų35.226%0.26218%0.176SC..Hα-helixtrans-66.3-33.7172.2-72.8-57.9158.400112.7E757 S765 T1000 G1001 Q1002E757-E761 PolarHBondContact O-N 3.41Å; E761-S765 WeakPolarHBondContact O-CB 3.39Å; E761-S765 PolarHBondContact O-N 2.93Å; E761-S765 PolarHBondContact O-OG 2.73Å; E761-T1000 VanDerWaalsContact OE1-CB 3.31Å; E761-T1000 WeakPolarHBondContact OE1-CB 3.46Å; E761-G1001 WeakPolarHBondContact OE1-CA 3.47Å; E761-G1001 PolarHBondContact OE1-N 3.08Å; E761-G1001 PolarHBondContact OE2-N 2.72Å; E761-Q1002 PolarHBondContact OE1-N 2.67Å
762F92.4Very high82.9Confident9 Ų937.3 Ų37.34%0.03919%0.192CC..Hα-helixtrans-66.2-43.3171.6-179.8-106.1000112P758 V759 V760 W764 S765 L766 V787 L790 A808 M809 L1035 L1038 L1040P758-F762 WeakPolarHBondContact O-CB 3.45Å; P758-F762 PolarHBondContact O-N 3.15Å; V759-F762 WeakPolarHBondContact O-CB 3.46Å; V759-F762 PolarHBondContact O-N 2.87Å; V760-F762 VanDerWaalsContact C-N 3.34Å; V760-F762 PolarHBondContact O-N 3.32Å; F762-W764 PolarHBondContact O-N 3.12Å; F762-S765 PolarHBondContact O-N 2.86Å; F762-L766 HydrophobicContact CD1-CD1 3.99Å; F762-L766 HydrophobicContact CD1-CG 4.45Å; F762-L766 HydrophobicContact CE1-CD1 3.57Å; F762-L766 HydrophobicContact CE1-CG 4.09Å; F762-L766 HydrophobicContact CZ-CD1 4.06Å; F762-L766 HydrophobicContact CZ-CD2 4.26Å; F762-L766 HydrophobicContact CZ-CG 4.14Å; F762-L766 WeakPolarHBondContact O-CG 3.04Å; F762-L766 PolarHBondContact O-N 3.12Å; F762-V787 HydrophobicContact CD1-CG2 3.79Å; F762-V787 HydrophobicContact CE1-CG2 3.88Å; F762-L790 HydrophobicContact CE1-CD1 3.81Å; F762-L790 HydrophobicContact CZ-CD1 3.82Å; F762-A808 WeakPolarHBondContact CB-O 3.34Å; F762-A808 HydrophobicContact CD2-CB 4.24Å; F762-A808 WeakPolarHBondContact CD2-O 3.44Å; F762-A808 HydrophobicContact CE2-CB 3.99Å; F762-A808 WeakPolarHBondContact CG-O 3.39Å; F762-M809 HydrophobicContact CD1-CG 3.94Å; F762-M809 HydrophobicContact CE1-CG 3.72Å; F762-M809 HydrophobicContact CE1-SD 4.36Å; F762-M809 HydrophobicContact CG-CG 4.43Å; F762-M809 HydrophobicContact CZ-CG 4.03Å; F762-L1035 HydrophobicContact CE2-CD2 4.18Å; F762-L1035 HydrophobicContact CZ-CD2 3.66Å; F762-L1038 HydrophobicContact CE2-CD1 4.06Å; F762-L1040 HydrophobicContact CE2-CD1 4.23Å
763M93Very high83.7Confident1 Ų138 Ų381%0.00520%0.199CC..Hα-helixtrans-61.5-41.7175-73.4-162.6-64.900112.1V759 V760 Y767 P783 L784 V787 L1119V759-M763 HydrophobicContact CG1-CE 4.41Å; V759-M763 HydrophobicContact CG1-CG 4.44Å; V759-M763 WeakPolarHBondContact O-CB 3.39Å; V759-M763 VanDerWaalsContact O-CG 3.26Å; V759-M763 WeakPolarHBondContact O-CG 3.09Å; V759-M763 PolarHBondContact O-N 3.39Å; V760-M763 HydrophobicContact CG2-CE 3.98Å; V760-M763 PolarHBondContact O-N 3.49Å; M763-Y767 PolarHBondContact O-N 3.49Å; M763-P783 HydrophobicContact CB-CB 3.64Å; M763-P783 HydrophobicContact CB-CG 3.88Å; M763-P783 HydrophobicContact CG-CB 3.73Å; M763-P783 HydrophobicContact CG-CG 4.12Å; M763-P783 HydrophobicContact SD-CB 4.17Å; M763-P783 HydrophobicContact SD-CG 4.03Å; M763-L784 HydrophobicContact CE-CD1 4.44Å; M763-L784 HydrophobicContact SD-CB 3.95Å; M763-L784 HydrophobicContact SD-CD1 3.86Å; M763-V787 HydrophobicContact CG-CG2 4.07Å; M763-L1119 HydrophobicContact CE-CD2 3.99Å
764W92.9Very high84.5Confident5 Ų536.5 Ų36.52%0.01919%0.192CC..Hα-helixtrans-66.5-40.7173178-120.4000112.2V760 F762 L766 Y767 R768 E996 M999 G1001 L1004 L1109 I1123V760-W764 WeakPolarHBondContact O-CB 3.38Å; V760-W764 PolarHBondContact O-N 2.85Å; F762-W764 PolarHBondContact O-N 3.12Å; W764-L766 PolarHBondContact O-N 2.89Å; W764-Y767 AromaticContact CE3-CD1 3.71Å; W764-Y767 HydrophobicContact CE3-CD1 3.71Å; W764-Y767 HydrophobicContact CE3-CG 4.36Å; W764-Y767 AromaticContact CH2-CD1 3.68Å; W764-Y767 HydrophobicContact CH2-CD1 3.68Å; W764-Y767 AromaticContact CH2-CE1 3.75Å; W764-Y767 HydrophobicContact CH2-CE1 3.75Å; W764-Y767 AromaticContact CZ3-CD1 3.22Å; W764-Y767 HydrophobicContact CZ3-CD1 3.22Å; W764-Y767 AromaticContact CZ3-CE1 3.64Å; W764-Y767 HydrophobicContact CZ3-CE1 3.64Å; W764-Y767 HydrophobicContact CZ3-CG 4.15Å; W764-Y767 WeakPolarHBondContact O-CB 3.35Å; W764-Y767 PolarHBondContact O-N 3.03Å; W764-Y767 VanDerWaalsContact O-N 3.14Å; W764-R768 WeakPolarHBondContact O-CB 3.28Å; W764-R768 PolarHBondContact O-N 3.43Å; W764-E996 HydrophobicContact CH2-CG 4.47Å; W764-M999 HydrophobicContact CH2-CB 4.19Å; W764-M999 HydrophobicContact CH2-CG 4.05Å; W764-M999 HydrophobicContact CZ2-CB 3.66Å; W764-M999 HydrophobicContact CZ2-CG 3.82Å; W764-M999 PolarHBondContact NE1-O 2.85Å; W764-G1001 VanDerWaalsContact CD1-N 3.33Å; W764-L1004 HydrophobicContact CD2-CD1 4.12Å; W764-L1004 HydrophobicContact CE3-CD1 3.49Å; W764-L1004 VanDerWaalsContact CE3-CD1 3.49Å; W764-L1004 HydrophobicContact CH2-CD1 4.37Å; W764-L1004 HydrophobicContact CZ3-CD1 3.63Å; W764-L1109 HydrophobicContact CH2-CD1 3.85Å; W764-L1109 HydrophobicContact CZ3-CD1 4.06Å; W764-I1123 HydrophobicContact CE3-CD1 4.47Å; W764-I1123 HydrophobicContact CZ3-CG2 4.39Å
765S91.8Very high84.9Confident37 Ų3735 Ų3526%0.25919%0.185SC..Hα-helixtrans-65.9-36.7178.3-64.90000112.8E761 F762 N769E761-S765 WeakPolarHBondContact O-CB 3.39Å; E761-S765 PolarHBondContact O-N 2.93Å; E761-S765 PolarHBondContact O-OG 2.73Å; F762-S765 PolarHBondContact O-N 2.86Å; S765-N769 PolarHBondContact O-N 2.86Å; S765-N769 VanDerWaalsContact O-N 3.1Å; S765-N769 PolarHBondContact O-ND2 3.3Å
766L91.5Very high85.4Confident0 Ų037.3 Ų37.30%020%0.203CC..Hα-helixtrans-59.2-46.6168.9-78.2172.5000111.4F762 W764 S770 L781 P783 I786 T1034 L1035 L1038F762-L766 HydrophobicContact CD1-CD1 3.99Å; F762-L766 HydrophobicContact CD1-CG 4.45Å; F762-L766 HydrophobicContact CE1-CD1 3.57Å; F762-L766 HydrophobicContact CE1-CG 4.09Å; F762-L766 HydrophobicContact CZ-CD1 4.06Å; F762-L766 HydrophobicContact CZ-CD2 4.26Å; F762-L766 HydrophobicContact CZ-CG 4.14Å; F762-L766 WeakPolarHBondContact O-CG 3.04Å; F762-L766 PolarHBondContact O-N 3.12Å; W764-L766 PolarHBondContact O-N 2.89Å; L766-S770 WeakPolarHBondContact O-CB 3.38Å; L766-S770 PolarHBondContact O-N 2.86Å; L766-S770 PolarHBondContact O-OG 3.28Å; L766-L781 HydrophobicContact CB-CD1 4.42Å; L766-P783 HydrophobicContact CD1-CB 4.32Å; L766-I786 HydrophobicContact CD1-CB 4.31Å; L766-I786 HydrophobicContact CD1-CG2 3.75Å; L766-T1034 HydrophobicContact CD2-CG2 4.15Å; L766-L1035 HydrophobicContact CD2-CD2 3.9Å; L766-L1038 HydrophobicContact CD2-CD1 3.84Å; L766-L1038 HydrophobicContact CG-CD1 4.19Å
767Y92.5Very high85.8Confident0 Ų039.5 Ų39.50%022%0.219CC..Hα-helixtrans-62.5-53.5176.5170.4-92.3000111.7M763 W764 N769 S770 S771 V779 L781 E996 L1109 I1123 R1125M763-Y767 PolarHBondContact O-N 3.49Å; W764-Y767 AromaticContact CE3-CD1 3.71Å; W764-Y767 HydrophobicContact CE3-CD1 3.71Å; W764-Y767 HydrophobicContact CE3-CG 4.36Å; W764-Y767 AromaticContact CH2-CD1 3.68Å; W764-Y767 HydrophobicContact CH2-CD1 3.68Å; W764-Y767 AromaticContact CH2-CE1 3.75Å; W764-Y767 HydrophobicContact CH2-CE1 3.75Å; W764-Y767 AromaticContact CZ3-CD1 3.22Å; W764-Y767 HydrophobicContact CZ3-CD1 3.22Å; W764-Y767 AromaticContact CZ3-CE1 3.64Å; W764-Y767 HydrophobicContact CZ3-CE1 3.64Å; W764-Y767 HydrophobicContact CZ3-CG 4.15Å; W764-Y767 WeakPolarHBondContact O-CB 3.35Å; W764-Y767 PolarHBondContact O-N 3.03Å; W764-Y767 VanDerWaalsContact O-N 3.14Å; Y767-N769 PolarHBondContact O-N 3.28Å; Y767-S770 CarbonylContact O-C 3.5Å; Y767-S770 WeakPolarHBondContact O-CA 3.26Å; Y767-S770 WeakPolarHBondContact O-CB 3.39Å; Y767-S770 PolarHBondContact O-N 2.84Å; Y767-S771 PolarHBondContact O-N 3.12Å; Y767-V779 HydrophobicContact CE2-CG1 4.37Å; Y767-L781 HydrophobicContact CD2-CD2 3.95Å; Y767-E996 HydrophobicContact CE1-CG 4.38Å; Y767-E996 PolarHBondContact OH-OE1 3.09Å; Y767-L1109 HydrophobicContact CE1-CD2 3.78Å; Y767-L1109 WeakPolarHBondContact OH-CD2 3.38Å; Y767-I1123 HydrophobicContact CD1-CG2 4.08Å; Y767-I1123 HydrophobicContact CD2-CB 4Å; Y767-I1123 HydrophobicContact CD2-CG2 3.47Å; Y767-I1123 VanDerWaalsContact CD2-CG2 3.47Å; Y767-I1123 HydrophobicContact CE2-CG2 3.97Å; Y767-I1123 HydrophobicContact CG-CB 4.24Å; Y767-I1123 HydrophobicContact CG-CG2 3.56Å; Y767-R1125 WeakPolarHBondContact OH-CB 3.35Å
768R90.1Very high86.2Confident95 Ų9537 Ų3736%0.35821%0.209SC..Hα-helixtrans-61.1-40.2-174.2179.9175.4171.3149.40.5113.2W764 S771 S772 E996 S997 M999W764-R768 WeakPolarHBondContact O-CB 3.28Å; W764-R768 PolarHBondContact O-N 3.43Å; R768-S771 PolarHBondContact O-N 3.4Å; R768-S771 PolarHBondContact O-OG 3.11Å; R768-S771 VanDerWaalsContact O-OG 3.11Å; R768-S772 WeakPolarHBondContact O-CB 3.4Å; R768-S772 PolarHBondContact O-N 3.14Å; R768-E996 PolarHBondContact NH1-O 2.71Å; R768-S997 VanDerWaalsContact CZ-O 3.26Å; R768-S997 PolarHBondContact NH1-O 3.36Å; R768-S997 PolarHBondContact NH2-O 3.27Å; R768-M999 PolarHBondContact NH1-O 2.91Å
769N87.8Confident86.2Confident41 Ų4134.9 Ų34.922%0.21920%0.196CC..Hα-helixtrans-65.9-42.7174-78.5-89.8000110.8S765 Y767 S771 S772 T1034 L1038S765-N769 PolarHBondContact O-N 2.86Å; S765-N769 VanDerWaalsContact O-N 3.1Å; S765-N769 PolarHBondContact O-ND2 3.3Å; Y767-N769 PolarHBondContact O-N 3.28Å; N769-S771 VanDerWaalsContact C-N 3.33Å; N769-S771 PolarHBondContact O-N 2.99Å; N769-S772 PolarHBondContact O-N 2.71Å; N769-S772 PolarHBondContact O-OG 3.37Å; N769-T1034 HydrophobicContact CB-CG2 3.7Å; N769-L1038 WeakPolarHBondContact ND2-CD2 3.39Å
770S84.1Confident86.1Confident2 Ų234.9 Ų34.91%0.01420%0.196CC..Hα-helixtrans-67-29.2177.2-51.70000113.8L766 Y767 T773 L1029L766-S770 WeakPolarHBondContact O-CB 3.38Å; L766-S770 PolarHBondContact O-N 2.86Å; L766-S770 PolarHBondContact O-OG 3.28Å; Y767-S770 CarbonylContact O-C 3.5Å; Y767-S770 WeakPolarHBondContact O-CA 3.26Å; Y767-S770 WeakPolarHBondContact O-CB 3.39Å; Y767-S770 PolarHBondContact O-N 2.84Å; S770-T773 PolarHBondContact O-OG1 3.46Å; S770-T773 VanDerWaalsContact O-OG1 3.13Å; S770-L1029 WeakPolarHBondContact OG-CD1 3.41Å; S770-L1029 WeakPolarHBondContact OG-CD2 3.23Å
771S83.6Confident86.2Confident2 Ų234.7 Ų34.71%0.01420%0.195CC..Hα-helixtrans-78.1-32.3176.185.20000112Y767 R768 N769 T773 S774 E996 R1125Y767-S771 PolarHBondContact O-N 3.12Å; R768-S771 PolarHBondContact O-N 3.4Å; R768-S771 PolarHBondContact O-OG 3.11Å; R768-S771 VanDerWaalsContact O-OG 3.11Å; N769-S771 VanDerWaalsContact C-N 3.33Å; N769-S771 PolarHBondContact O-N 2.99Å; S771-T773 PolarHBondContact O-N 2.98Å; S771-S774 CarbonylContact O-C 3.43Å; S771-S774 PolarHBondContact O-N 3.3Å; S771-E996 VanDerWaalsContact CB-OE2 3.27Å; S771-E996 WeakPolarHBondContact CB-OE2 3.16Å; S771-E996 PolarHBondContact OG-OE2 2.73Å; S771-R1125 PolarHBondContact O-NH2 3.36Å
772S79.1Confident86.3Confident61 Ų6132.2 Ų32.243%0.42718%0.183SC..Hα-helixtrans-66.5-32.2-177.577.90000114.1R768 N769 S774 K775R768-S772 WeakPolarHBondContact O-CB 3.4Å; R768-S772 PolarHBondContact O-N 3.14Å; N769-S772 PolarHBondContact O-N 2.71Å; N769-S772 PolarHBondContact O-OG 3.37Å; S772-S774 VanDerWaalsContact C-N 3.28Å; S772-S774 PolarHBondContact O-N 3.4Å; S772-K775 WeakPolarHBondContact O-CG 3.22Å
773T72.3Confident86.3Confident99 Ų9931.8 Ų31.861%0.60718%0.181SC*.THydrogen-bonded Turntrans-74.3-18.417749.10000113.4S770 S771S770-T773 PolarHBondContact O-OG1 3.46Å; S770-T773 VanDerWaalsContact O-OG1 3.13Å; S771-T773 PolarHBondContact O-N 2.98Å
774S72.7Confident86.1Confident36 Ų3631.8 Ų31.825%0.25218%0.181SC..  trans-129.945.7-163.8-52.10000111.6S771 S772 T776 S777 R1125S771-S774 CarbonylContact O-C 3.43Å; S771-S774 PolarHBondContact O-N 3.3Å; S772-S774 VanDerWaalsContact C-N 3.28Å; S772-S774 PolarHBondContact O-N 3.4Å; S774-T776 VanDerWaalsContact C-N 3.25Å; S774-T776 PolarHBondContact O-N 3.36Å; S774-S777 PolarHBondContact O-N 3.41Å; S774-S777 VanDerWaalsContact O-N 3.09Å; S774-S777 PolarHBondContact O-OG 3.07Å; S774-R1125 PolarHBondContact O-NH2 3.4Å
775K72.9Confident85.9Confident109 Ų10931.5 Ų31.547%0.47418%0.18SC..THydrogen-bonded Turntrans-50.6-32.7-165.2-64.6-169.5167.5-153.30116.6S772 E993S772-K775 WeakPolarHBondContact O-CG 3.22Å; K775-E993 WeakPolarHBondContact CD-OE2 3.27Å; K775-E993 WeakPolarHBondContact CE-OE1 3.33Å; K775-E993 WeakPolarHBondContact CE-OE2 3.12Å; K775-E993 IonicContact NZ-OE1 2.66Å; K775-E993 PolarHBondContact NZ-OE1 2.93Å; K775-E993 IonicContact NZ-OE2 2.83Å; K775-E993 PolarHBondContact NZ-OE2 2.71Å
776T78.8Confident85.9Confident106 Ų10629.8 Ų29.865%0.6517%0.168SC*.THydrogen-bonded Turntrans-117.530.3-176.260.80000112.6S774 Y1127S774-T776 VanDerWaalsContact C-N 3.25Å; S774-T776 PolarHBondContact O-N 3.36Å; T776-Y1127 WeakPolarHBondContact O-CD1 3.31Å; T776-Y1127 WeakPolarHBondContact O-CE1 3.18Å
777S85.4Confident86Confident48 Ų4829.8 Ų29.834%0.33617%0.168SC..SBendtrans-130.4161.2170.579.70000111.5S774 R1125S774-S777 PolarHBondContact O-N 3.41Å; S774-S777 VanDerWaalsContact O-N 3.09Å; S774-S777 PolarHBondContact O-OG 3.07Å; S777-R1125 PolarHBondContact O-NE 2.97Å
778S89.5Confident85.9Confident22 Ų2230.3 Ų30.315%0.15417%0.171CC..  trans-63.9147.2161.7-58.60000109.4L1025 R1125 Y1127 G1128S778-L1025 VanDerWaalsContact CB-CD2 3.4Å; S778-R1125 CarbonylContact C-O 3.08Å; S778-R1125 WeakPolarHBondContact CA-O 3.5Å; S778-R1125 WeakPolarHBondContact CB-O 3.29Å; S778-Y1127 PolarHBondContact OG-N 3.18Å; S778-G1128 PolarHBondContact OG-O 3.3Å
779V88.9Confident86Confident0 Ų025.8 Ų25.80%015%0.154CC..EExtended strand (participates in β ladder)trans-140.9136.6-179173.60000107.4Y767 L781 G1124 R1125Y767-V779 HydrophobicContact CE2-CG1 4.37Å; V779-L781 HydrophobicContact CG1-CD2 4.23Å; V779-G1124 CarbonylContact O-C 3.57Å; V779-G1124 WeakPolarHBondContact O-CA 3.47Å; V779-R1125 PolarHBondContact N-O 2.86Å; V779-R1125 PolarHBondContact O-N 3.31Å
780F89Confident86.3Confident0 Ų023.8 Ų23.80%014%0.143CC..EExtended strand (participates in β ladder)trans-145.8139-178-175-121.6000111.5L1025 H1027 A1069 V1071 F1110 F1122F780-L1025 HydrophobicContact CB-CB 4.47Å; F780-H1027 HydrophobicContact CB-CB 4.04Å; F780-H1027 WeakPolarHBondContact O-CB 3.5Å; F780-H1027 PolarHBondContact O-ND1 3.41Å; F780-A1069 HydrophobicContact CD1-CB 3.6Å; F780-A1069 HydrophobicContact CE1-CB 3.64Å; F780-V1071 HydrophobicContact CD1-CB 4.5Å; F780-V1071 HydrophobicContact CD1-CG1 3.92Å; F780-V1071 HydrophobicContact CD2-CG1 4.26Å; F780-V1071 HydrophobicContact CE1-CB 3.67Å; F780-V1071 HydrophobicContact CE1-CG1 3.53Å; F780-V1071 HydrophobicContact CE2-CB 4.36Å; F780-V1071 HydrophobicContact CE2-CG1 3.89Å; F780-V1071 HydrophobicContact CG-CG1 4.27Å; F780-V1071 HydrophobicContact CZ-CB 3.57Å; F780-V1071 HydrophobicContact CZ-CG1 3.5Å; F780-V1071 HydrophobicContact CZ-CG2 4.36Å; F780-F1110 HydrophobicContact CD2-CE1 4.47Å; F780-F1110 AromaticContact CD2-CE2 3.72Å; F780-F1110 HydrophobicContact CD2-CE2 3.72Å; F780-F1110 AromaticContact CD2-CZ 3.43Å; F780-F1110 HydrophobicContact CD2-CZ 3.43Å; F780-F1110 VanDerWaalsContact CD2-CZ 3.43Å; F780-F1110 AromaticContact CE2-CE2 3.48Å; F780-F1110 HydrophobicContact CE2-CE2 3.48Å; F780-F1110 VanDerWaalsContact CE2-CE2 3.48Å; F780-F1110 AromaticContact CE2-CZ 3.72Å; F780-F1110 HydrophobicContact CE2-CZ 3.72Å; F780-F1110 HydrophobicContact CG-CZ 4.28Å; F780-F1110 HydrophobicContact CZ-CE2 4.44Å; F780-F1122 AromaticContact CE1-CD1 3.8Å; F780-F1122 HydrophobicContact CE1-CD1 3.8Å; F780-F1122 HydrophobicContact CE1-CE1 4.19Å; F780-F1122 HydrophobicContact CE2-CB 3.64Å; F780-F1122 AromaticContact CE2-CD1 3.91Å; F780-F1122 HydrophobicContact CE2-CD1 3.91Å; F780-F1122 HydrophobicContact CE2-CG 4.13Å; F780-F1122 HydrophobicContact CZ-CB 3.82Å; F780-F1122 AromaticContact CZ-CD1 3.22Å; F780-F1122 HydrophobicContact CZ-CD1 3.22Å; F780-F1122 AromaticContact CZ-CE1 3.93Å; F780-F1122 HydrophobicContact CZ-CE1 3.93Å; F780-F1122 AromaticContact CZ-CG 3.77Å; F780-F1122 HydrophobicContact CZ-CG 3.77Å
781L91.5Very high86.8Confident0 Ų023.7 Ų23.70%014%0.143CC..EExtended strand (participates in β ladder)trans-156.4162173.154.4135.3000111.8L766 Y767 V779 P783 I786 L1029 H1067 F1122 I1123L766-L781 HydrophobicContact CB-CD1 4.42Å; Y767-L781 HydrophobicContact CD2-CD2 3.95Å; V779-L781 HydrophobicContact CG1-CD2 4.23Å; L781-P783 HydrophobicContact CD1-CB 3.97Å; L781-P783 HydrophobicContact CD1-CG 4.5Å; L781-P783 WeakPolarHBondContact O-CD 3.27Å; L781-I786 HydrophobicContact CD1-CD1 4.15Å; L781-L1029 HydrophobicContact CD1-CD2 4.5Å; L781-H1067 WeakPolarHBondContact CA-NE2 3.44Å; L781-H1067 WeakPolarHBondContact CB-NE2 3.26Å; L781-F1122 WeakPolarHBondContact O-CA 3.36Å; L781-I1123 PolarHBondContact N-O 2.91Å; L781-I1123 VanDerWaalsContact N-O 3.08Å; L781-I1123 PolarHBondContact O-N 3.23Å
782S92.5Very high87.2Confident3 Ų323.7 Ų23.72%0.02114%0.142CC..  trans-102.897.8162.9179.50000109.4L784 S785 I786 H1067 L1121S782-L784 VanDerWaalsContact C-N 3.29Å; S782-L784 PolarHBondContact O-N 2.76Å; S782-S785 PolarHBondContact O-N 3.01Å; S782-S785 WeakPolarHBondContact OG-CB 3.5Å; S782-S785 PolarHBondContact OG-N 2.86Å; S782-I786 WeakPolarHBondContact O-CG1 3.36Å; S782-I786 PolarHBondContact O-N 3.24Å; S782-I786 VanDerWaalsContact O-N 3.13Å; S782-H1067 PolarHBondContact N-CE1 2.84Å; S782-H1067 PolarHBondContact N-NE2 3Å; S782-L1121 VanDerWaalsContact CA-O 3.29Å; S782-L1121 WeakPolarHBondContact CA-O 3.35Å; S782-L1121 VanDerWaalsContact CB-O 3.26Å; S782-L1121 WeakPolarHBondContact CB-O 3.48Å; S782-L1121 PolarHBondContact OG-O 2.89Å
783P92.4Very high87.9Confident0 Ų020.8 Ų20.80%012%0.122CC..Hα-helixtrans-68.7-32.9-18030.6-35.3000111M763 L766 L781 S785 I786 V787 I1123M763-P783 HydrophobicContact CB-CB 3.64Å; M763-P783 HydrophobicContact CB-CG 3.88Å; M763-P783 HydrophobicContact CG-CB 3.73Å; M763-P783 HydrophobicContact CG-CG 4.12Å; M763-P783 HydrophobicContact SD-CB 4.17Å; M763-P783 HydrophobicContact SD-CG 4.03Å; L766-P783 HydrophobicContact CD1-CB 4.32Å; L781-P783 HydrophobicContact CD1-CB 3.97Å; L781-P783 HydrophobicContact CD1-CG 4.5Å; L781-P783 WeakPolarHBondContact O-CD 3.27Å; P783-S785 VanDerWaalsContact C-N 3.35Å; P783-S785 PolarHBondContact O-N 3.32Å; P783-I786 WeakPolarHBondContact O-CB 3.36Å; P783-I786 PolarHBondContact O-N 3.25Å; P783-V787 WeakPolarHBondContact O-CG2 3.49Å; P783-V787 PolarHBondContact O-N 3.5Å; P783-I1123 HydrophobicContact CG-CD1 3.92Å; P783-I1123 HydrophobicContact CG-CG1 3.96Å
784L88.9Confident89Confident1 Ų116.2 Ų16.21%0.0059%0.094CC..Hα-helixtrans-61.7-39.7174.7-165.971.4000112.5M763 S782 V787 N788 L826 L829 L830 L1121M763-L784 HydrophobicContact CE-CD1 4.44Å; M763-L784 HydrophobicContact SD-CB 3.95Å; M763-L784 HydrophobicContact SD-CD1 3.86Å; S782-L784 VanDerWaalsContact C-N 3.29Å; S782-L784 PolarHBondContact O-N 2.76Å; L784-V787 PolarHBondContact O-N 2.98Å; L784-N788 PolarHBondContact O-N 3.47Å; L784-L826 HydrophobicContact CD1-CD1 3.63Å; L784-L826 HydrophobicContact CD2-CD1 4.15Å; L784-L826 HydrophobicContact CG-CD1 3.6Å; L784-L829 HydrophobicContact CD2-CD2 3.88Å; L784-L830 HydrophobicContact CD2-CD2 4.45Å; L784-L1121 HydrophobicContact CD2-CD1 3.85Å; L784-L1121 HydrophobicContact CD2-CG 3.87Å
785S88.8Confident89.9Confident0 Ų015.5 Ų15.50%09%0.087CC..Hα-helixtrans-74-29.8176.7-156.80000112.3S782 P783 N788 V789 N918S782-S785 PolarHBondContact O-N 3.01Å; S782-S785 WeakPolarHBondContact OG-CB 3.5Å; S782-S785 PolarHBondContact OG-N 2.86Å; P783-S785 VanDerWaalsContact C-N 3.35Å; P783-S785 PolarHBondContact O-N 3.32Å; S785-N788 WeakPolarHBondContact O-CB 3.44Å; S785-V789 PolarHBondContact O-N 2.99Å; S785-N918 PolarHBondContact O-ND2 2.8Å; S785-N918 PolarHBondContact OG-ND2 3.34Å; S785-N918 PolarHBondContact OG-OD1 2.59Å
786I92.2Very high90.8Very high0 Ų010.3 Ų10.30%06%0.064CC..Hα-helixtrans-64.5-46.7167.8-70.1168.8000110.6L766 L781 S782 P783 N788 V789 L790 L1029 V1031 F1065 H1067L766-I786 HydrophobicContact CD1-CB 4.31Å; L766-I786 HydrophobicContact CD1-CG2 3.75Å; L781-I786 HydrophobicContact CD1-CD1 4.15Å; S782-I786 WeakPolarHBondContact O-CG1 3.36Å; S782-I786 PolarHBondContact O-N 3.24Å; S782-I786 VanDerWaalsContact O-N 3.13Å; P783-I786 WeakPolarHBondContact O-CB 3.36Å; P783-I786 PolarHBondContact O-N 3.25Å; I786-N788 VanDerWaalsContact C-N 3.31Å; I786-N788 PolarHBondContact O-N 2.89Å; I786-V789 PolarHBondContact O-N 2.92Å; I786-L790 HydrophobicContact CG2-CD1 3.95Å; I786-L790 PolarHBondContact O-N 3.43Å; I786-L1029 HydrophobicContact CD1-CD2 4.18Å; I786-V1031 HydrophobicContact CD1-CG1 4.31Å; I786-V1031 HydrophobicContact CD1-CG2 4.25Å; I786-V1031 HydrophobicContact CG2-CG1 3.9Å; I786-F1065 HydrophobicContact CB-CZ 4.36Å; I786-F1065 HydrophobicContact CG1-CZ 4.49Å; I786-F1065 HydrophobicContact CG2-CE1 3.92Å; I786-F1065 HydrophobicContact CG2-CZ 3.83Å; I786-H1067 HydrophobicContact CD1-CB 4.13Å; I786-H1067 HydrophobicContact CG1-CB 4.16Å
787V92.8Very high91.6Very high0 Ų05.3 Ų5.30%03%0.034CC..Hα-helixtrans-59.3-40176.3167.80000111.4V759 F762 M763 P783 L784 V789 L790 C791 M809 F822 L826V759-V787 HydrophobicContact CG1-CG1 4.35Å; F762-V787 HydrophobicContact CD1-CG2 3.79Å; F762-V787 HydrophobicContact CE1-CG2 3.88Å; M763-V787 HydrophobicContact CG-CG2 4.07Å; P783-V787 WeakPolarHBondContact O-CG2 3.49Å; P783-V787 PolarHBondContact O-N 3.5Å; L784-V787 PolarHBondContact O-N 2.98Å; V787-V789 PolarHBondContact O-N 3.2Å; V787-L790 CarbonylContact O-C 3.54Å; V787-L790 PolarHBondContact O-N 3.11Å; V787-L790 VanDerWaalsContact O-N 3.14Å; V787-C791 PolarHBondContact O-N 3Å; V787-C791 PolarHBondContact O-SG 3.26Å; V787-M809 HydrophobicContact CG1-SD 4.35Å; V787-F822 HydrophobicContact CG1-CE1 3.67Å; V787-F822 HydrophobicContact CG1-CZ 3.94Å; V787-L826 HydrophobicContact CG1-CD2 4.2Å
788N90.5Very high92Very high11 Ų113.9 Ų3.96%0.0593%0.025CC..Hα-helixtrans-55.3-47.3174.5-177.949.2000112.7L784 S785 I786 C791 M792 L826 L830 S846 F868L784-N788 PolarHBondContact O-N 3.47Å; S785-N788 WeakPolarHBondContact O-CB 3.44Å; I786-N788 VanDerWaalsContact C-N 3.31Å; I786-N788 PolarHBondContact O-N 2.89Å; N788-C791 WeakPolarHBondContact O-CB 3.46Å; N788-C791 PolarHBondContact O-N 3.17Å; N788-M792 WeakPolarHBondContact O-CG 3.45Å; N788-M792 PolarHBondContact O-N 3.49Å; N788-M792 VanDerWaalsContact O-N 3.14Å; N788-L826 HydrophobicContact CB-CD2 3.96Å; N788-L826 HydrophobicContact CB-CG 4.44Å; N788-L830 HydrophobicContact CB-CD1 3.72Å; N788-S846 PolarHBondContact ND2-OG 3.34Å; N788-F868 VanDerWaalsContact OD1-CD1 3.22Å; N788-F868 WeakPolarHBondContact OD1-CD1 3.32Å; N788-F868 WeakPolarHBondContact OD1-CE1 3.05Å
789V92.7Very high92.3Very high0 Ų04.8 Ų4.80%04%0.038CC..Hα-helixtrans-70.1-32.2177.3175.70000112S785 I786 V787 M792 T793 L848 L916 N918 F1065S785-V789 PolarHBondContact O-N 2.99Å; I786-V789 PolarHBondContact O-N 2.92Å; V787-V789 PolarHBondContact O-N 3.2Å; V789-M792 HydrophobicContact CG2-SD 4.34Å; V789-M792 WeakPolarHBondContact O-CB 3.45Å; V789-M792 PolarHBondContact O-N 2.8Å; V789-T793 PolarHBondContact O-N 3.48Å; V789-T793 VanDerWaalsContact O-N 3.15Å; V789-L848 HydrophobicContact CG1-CD2 4.34Å; V789-L916 HydrophobicContact CG1-CB 3.86Å; V789-L916 HydrophobicContact CG1-CD1 4.4Å; V789-L916 HydrophobicContact CG1-CD2 4.44Å; V789-L916 HydrophobicContact CG1-CG 4.45Å; V789-N918 HydrophobicContact CG2-CB 4.03Å; V789-F1065 HydrophobicContact CB-CE2 4.2Å; V789-F1065 HydrophobicContact CB-CZ 3.96Å; V789-F1065 HydrophobicContact CG1-CE2 3.91Å; V789-F1065 HydrophobicContact CG1-CZ 3.93Å
790L94.4Very high92.6Very high0 Ų07.5 Ų7.50%06%0.056CC..Hα-helixtrans-68.3-35.5172.7-69.2166.1000112.3F762 I786 V787 M792 T793 Y794 L805 M809 L1035 M1043 F1065F762-L790 HydrophobicContact CE1-CD1 3.81Å; F762-L790 HydrophobicContact CZ-CD1 3.82Å; I786-L790 HydrophobicContact CG2-CD1 3.95Å; I786-L790 PolarHBondContact O-N 3.43Å; V787-L790 CarbonylContact O-C 3.54Å; V787-L790 PolarHBondContact O-N 3.11Å; V787-L790 VanDerWaalsContact O-N 3.14Å; L790-M792 PolarHBondContact O-N 3.43Å; L790-T793 WeakPolarHBondContact CA-OG1 3.17Å; L790-T793 PolarHBondContact O-N 2.67Å; L790-T793 VanDerWaalsContact O-N 3.14Å; L790-T793 PolarHBondContact O-OG1 3.43Å; L790-Y794 WeakPolarHBondContact O-CB 3.32Å; L790-Y794 PolarHBondContact O-N 3.08Å; L790-L805 HydrophobicContact CB-CD2 4.37Å; L790-L805 HydrophobicContact CD2-CD2 3.8Å; L790-M809 HydrophobicContact CB-CE 3.89Å; L790-M809 HydrophobicContact CB-SD 3.38Å; L790-M809 WeakPolarHBondContact CB-SD 3.45Å; L790-M809 HydrophobicContact CD1-SD 4.02Å; L790-M809 HydrophobicContact CG-SD 4.33Å; L790-L1035 HydrophobicContact CD1-CD1 4.38Å; L790-L1035 HydrophobicContact CD1-CD2 4.07Å; L790-L1035 HydrophobicContact CD2-CD1 3.96Å; L790-M1043 HydrophobicContact CD2-CE 3.99Å; L790-F1065 HydrophobicContact CD1-CE1 4.34Å; L790-F1065 HydrophobicContact CD2-CD1 4.41Å; L790-F1065 HydrophobicContact CD2-CE1 3.86Å; L790-F1065 HydrophobicContact CG-CE1 3.86Å; L790-F1065 HydrophobicContact CG-CZ 4.49Å
791C93.4Very high92.9Very high0 Ų07.5 Ų7.50%06%0.057CC..Hα-helixtrans-62.2-40.2171.9-670000112.1V787 N788 T793 Y794 M795 I823 F868V787-C791 PolarHBondContact O-N 3Å; V787-C791 PolarHBondContact O-SG 3.26Å; N788-C791 WeakPolarHBondContact O-CB 3.46Å; N788-C791 PolarHBondContact O-N 3.17Å; C791-T793 VanDerWaalsContact C-N 3.31Å; C791-T793 PolarHBondContact O-N 3.01Å; C791-Y794 PolarHBondContact O-N 3.12Å; C791-M795 PolarHBondContact O-N 3.49Å; C791-I823 HydrophobicContact CB-CD1 4.06Å; C791-I823 HydrophobicContact CB-CG1 3.88Å; C791-F868 HydrophobicContact CB-CE1 4.02Å; C791-F868 HydrophobicContact CB-CZ 3.81Å
792M92.9Very high93.1Very high1 Ų19.6 Ų9.61%0.0057%0.066CC..Hα-helixtrans-59.1-41.6171.7-63170.3177.600111.8N788 V789 L790 L848 L864 F868N788-M792 WeakPolarHBondContact O-CG 3.45Å; N788-M792 PolarHBondContact O-N 3.49Å; N788-M792 VanDerWaalsContact O-N 3.14Å; V789-M792 HydrophobicContact CG2-SD 4.34Å; V789-M792 WeakPolarHBondContact O-CB 3.45Å; V789-M792 PolarHBondContact O-N 2.8Å; L790-M792 PolarHBondContact O-N 3.43Å; M792-L848 HydrophobicContact CB-CD1 4.32Å; M792-L848 HydrophobicContact CB-CD2 4.42Å; M792-L864 HydrophobicContact CB-CD2 3.93Å; M792-L864 HydrophobicContact CG-CD2 4.01Å; M792-F868 HydrophobicContact CB-CE2 4.34Å; M792-F868 HydrophobicContact CE-CB 3.64Å; M792-F868 HydrophobicContact CE-CD1 3.94Å; M792-F868 HydrophobicContact CE-CD2 4.45Å; M792-F868 HydrophobicContact CE-CG 3.78Å; M792-F868 HydrophobicContact CG-CD1 4.07Å; M792-F868 HydrophobicContact CG-CD2 3.73Å; M792-F868 HydrophobicContact CG-CE1 4.09Å; M792-F868 HydrophobicContact CG-CE2 3.75Å; M792-F868 HydrophobicContact CG-CG 3.89Å; M792-F868 HydrophobicContact CG-CZ 3.95Å
793T93.5Very high93.2Very high0 Ų012.4 Ų12.40%08%0.08CC..Hα-helixtrans-73.9-35.3177.762.10000113.5V789 L790 C791 M795 G796 A797 L848 L916V789-T793 PolarHBondContact O-N 3.48Å; V789-T793 VanDerWaalsContact O-N 3.15Å; L790-T793 WeakPolarHBondContact CA-OG1 3.17Å; L790-T793 PolarHBondContact O-N 2.67Å; L790-T793 VanDerWaalsContact O-N 3.14Å; L790-T793 PolarHBondContact O-OG1 3.43Å; C791-T793 VanDerWaalsContact C-N 3.31Å; C791-T793 PolarHBondContact O-N 3.01Å; T793-M795 VanDerWaalsContact C-N 3.31Å; T793-M795 PolarHBondContact O-N 3.05Å; T793-G796 CarbonylContact O-C 3.48Å; T793-G796 WeakPolarHBondContact O-CA 3.49Å; T793-G796 PolarHBondContact O-N 2.77Å; T793-A797 PolarHBondContact O-N 2.88Å; T793-L848 HydrophobicContact CG2-CD2 4.15Å; T793-L916 HydrophobicContact CG2-CD1 3.8Å; T793-L916 HydrophobicContact CG2-CD2 3.42Å; T793-L916 VanDerWaalsContact CG2-CD2 3.42Å; T793-L916 HydrophobicContact CG2-CG 4.28Å
794Y94.8Very high93.3Very high4 Ų414.4 Ų14.42%0.0169%0.09CC..Hα-helixtrans-57.9-41.9176.3175.2-99.8000112L790 C791 G796 A797 K802 L805 R806 E816 I819L790-Y794 WeakPolarHBondContact O-CB 3.32Å; L790-Y794 PolarHBondContact O-N 3.08Å; C791-Y794 PolarHBondContact O-N 3.12Å; Y794-G796 PolarHBondContact O-N 3.49Å; Y794-A797 PolarHBondContact O-N 2.87Å; Y794-K802 HydrophobicContact CD2-CG 3.75Å; Y794-K802 VanDerWaalsContact CE1-CE 3.49Å; Y794-K802 HydrophobicContact CE2-CD 4.16Å; Y794-K802 HydrophobicContact CE2-CG 3.45Å; Y794-K802 VanDerWaalsContact CE2-CG 3.45Å; Y794-K802 WeakPolarHBondContact OH-CE 3.38Å; Y794-L805 HydrophobicContact CD2-CB 3.76Å; Y794-R806 HydrophobicContact CE2-CB 3.92Å; Y794-E816 PolarHBondContact OH-OE2 3.3Å; Y794-I819 HydrophobicContact CD1-CG2 4.11Å; Y794-I819 HydrophobicContact CE1-CD1 4.41Å; Y794-I819 HydrophobicContact CE1-CG2 3.57Å; Y794-I819 VanDerWaalsContact OH-CD1 3.22Å; Y794-I819 WeakPolarHBondContact OH-CD1 3.44Å
795M91.1Very high93.6Very high20 Ų2014.4 Ų14.410%0.0999%0.09CC..THydrogen-bonded Turntrans-66.6-16.3175.5-76.5177.425.300114.6C791 T793 I823 F860 R863 L867 F868C791-M795 PolarHBondContact O-N 3.49Å; T793-M795 VanDerWaalsContact C-N 3.31Å; T793-M795 PolarHBondContact O-N 3.05Å; M795-I823 HydrophobicContact CG-CD1 4.48Å; M795-I823 HydrophobicContact SD-CD1 4.34Å; M795-F860 HydrophobicContact CB-CE2 4.3Å; M795-R863 HydrophobicContact CE-CB 3.61Å; M795-R863 PolarHBondContact O-NH2 3.08Å; M795-L867 HydrophobicContact CE-CD1 3.94Å; M795-L867 HydrophobicContact SD-CD1 3.85Å; M795-F868 HydrophobicContact CE-CE2 3.85Å; M795-F868 HydrophobicContact SD-CE2 3.6Å; M795-F868 VanDerWaalsContact SD-CE2 3.6Å; M795-F868 HydrophobicContact SD-CZ 4.04Å
796G93Very high93.9Very high0 Ų016.8 Ų16.80%010%0.099CC..THydrogen-bonded Turntrans-103.5-5.3175.700000114.1T793 Y794 F1051 E1053 M1054T793-G796 CarbonylContact O-C 3.48Å; T793-G796 WeakPolarHBondContact O-CA 3.49Å; T793-G796 PolarHBondContact O-N 2.77Å; Y794-G796 PolarHBondContact O-N 3.49Å; G796-F1051 CarbonylContact O-C 3.55Å; G796-F1051 VanDerWaalsContact O-C 3.29Å; G796-F1051 WeakPolarHBondContact O-CA 3.38Å; G796-E1053 CarbonylContact O-C 3.37Å; G796-E1053 PolarHBondContact O-N 3.32Å; G796-M1054 PolarHBondContact O-N 2.87Å
797A95.1Very high93.9Very high2 Ų220 Ų202%0.01712%0.116CC..  trans-93.7157.5-177.900000112.4T793 Y794 T801 K802 L805 N1050 F1051T793-A797 PolarHBondContact O-N 2.88Å; Y794-A797 PolarHBondContact O-N 2.87Å; A797-T801 HydrophobicContact CB-CG2 4.27Å; A797-K802 HydrophobicContact CB-CB 3.93Å; A797-K802 HydrophobicContact CB-CG 4.38Å; A797-L805 HydrophobicContact CB-CD1 4.01Å; A797-N1050 CarbonylContact C-O 3.51Å; A797-N1050 WeakPolarHBondContact CA-O 3.48Å; A797-F1051 HydrophobicContact CB-CD1 4.1Å; A797-F1051 HydrophobicContact CB-CE1 3.96Å
798A94.8Very high93.8Very high17 Ų1721.4 Ų21.414%0.1413%0.127CC..  trans-142.5161.4172.600000112.3N1050 S1052 E1053A798-N1050 WeakPolarHBondContact CB-ND2 3.47Å; A798-N1050 PolarHBondContact N-O 2.71Å; A798-N1050 WeakPolarHBondContact O-CB 3.3Å; A798-N1050 PolarHBondContact O-ND2 2.81Å; A798-S1052 WeakPolarHBondContact CB-OG 3.44Å; A798-E1053 HydrophobicContact CB-CG 4.3Å
799G94.4Very high93.9Very high42 Ų4220.9 Ų20.943%0.43312%0.124SC..Hα-helixtrans54.2-146.5-179.100000113.5T801 K802 D803G799-T801 PolarHBondContact O-N 2.87Å; G799-K802 CarbonylContact O-C 3.54Å; G799-K802 WeakPolarHBondContact O-CA 3.21Å; G799-K802 WeakPolarHBondContact O-CB 3.23Å; G799-K802 PolarHBondContact O-N 3.14Å; G799-D803 PolarHBondContact O-N 2.83Å
800S94.7Very high93.8Very high56 Ų5621.6 Ų21.639%0.39213%0.128SC..Hα-helixtrans-53-30.7-175.9-174.60000114.2D803 Q804 E1042S800-D803 WeakPolarHBondContact CA-OD2 3.01Å; S800-D803 PolarHBondContact N-OD2 2.99Å; S800-D803 PolarHBondContact O-N 3.01Å; S800-Q804 WeakPolarHBondContact O-CG 3.05Å; S800-Q804 PolarHBondContact O-N 3.02Å; S800-E1042 VanDerWaalsContact C-OE2 3.28Å; S800-E1042 VanDerWaalsContact CB-OE1 3.27Å; S800-E1042 WeakPolarHBondContact CB-OE1 3.5Å; S800-E1042 WeakPolarHBondContact CB-OE2 3.45Å; S800-E1042 PolarHBondContact OG-OE1 3.22Å; S800-E1042 PolarHBondContact OG-OE2 2.82Å
801T96Very high93.5Very high1 Ų122.6 Ų22.61%0.00614%0.138CC..Hα-helixtrans-68.4-37173.7-55.80000112.3A797 G799 L805 E1042 M1043 N1050 F1051A797-T801 HydrophobicContact CB-CG2 4.27Å; G799-T801 PolarHBondContact O-N 2.87Å; T801-L805 WeakPolarHBondContact O-CD1 3.34Å; T801-L805 PolarHBondContact O-N 2.81Å; T801-E1042 PolarHBondContact N-OE2 3.27Å; T801-E1042 PolarHBondContact OG1-OE2 3.18Å; T801-M1043 HydrophobicContact CG2-CB 3.97Å; T801-N1050 PolarHBondContact OG1-N 3.4Å; T801-F1051 HydrophobicContact CG2-CE2 4.25Å; T801-F1051 HydrophobicContact CG2-CZ 4.16Å
802K95.4Very high93.1Very high44 Ų4426.6 Ų26.619%0.19117%0.166CC..Hα-helixtrans-72.8-37.9170.8-166.9-177.3-173.8-167.30111.5Y794 A797 G799 L805 R806 E816Y794-K802 HydrophobicContact CD2-CG 3.75Å; Y794-K802 VanDerWaalsContact CE1-CE 3.49Å; Y794-K802 HydrophobicContact CE2-CD 4.16Å; Y794-K802 HydrophobicContact CE2-CG 3.45Å; Y794-K802 VanDerWaalsContact CE2-CG 3.45Å; Y794-K802 WeakPolarHBondContact OH-CE 3.38Å; A797-K802 HydrophobicContact CB-CB 3.93Å; A797-K802 HydrophobicContact CB-CG 4.38Å; G799-K802 CarbonylContact O-C 3.54Å; G799-K802 WeakPolarHBondContact O-CA 3.21Å; G799-K802 WeakPolarHBondContact O-CB 3.23Å; G799-K802 PolarHBondContact O-N 3.14Å; K802-L805 PolarHBondContact O-N 3.14Å; K802-R806 PolarHBondContact O-N 3.21Å; K802-E816 IonicContact NZ-OE1 2.59Å; K802-E816 PolarHBondContact NZ-OE1 3.13Å; K802-E816 IonicContact NZ-OE2 3.8Å; K802-E816 PolarHBondContact NZ-OE2 2.95Å
803D94.6Very high92.7Very high61 Ų6132.9 Ų32.933%0.32620%0.204SC..Hα-helixtrans-62.4-46.7176.9-64.7-60.2000111.4G799 S800 L805 R806 D807G799-D803 PolarHBondContact O-N 2.83Å; S800-D803 WeakPolarHBondContact CA-OD2 3.01Å; S800-D803 PolarHBondContact N-OD2 2.99Å; S800-D803 PolarHBondContact O-N 3.01Å; D803-L805 VanDerWaalsContact C-N 3.3Å; D803-L805 PolarHBondContact O-N 3.49Å; D803-R806 PolarHBondContact O-N 3.39Å; D803-R806 VanDerWaalsContact O-N 3.16Å; D803-R806 IonicContact OD1-CZ 2.97Å; D803-R806 IonicContact OD1-NH1 2.98Å; D803-R806 PolarHBondContact OD1-NH1 3.43Å; D803-R806 IonicContact OD1-NH2 3.6Å; D803-R806 PolarHBondContact OD1-NH2 3.15Å; D803-D807 WeakPolarHBondContact O-CB 3.4Å; D803-D807 PolarHBondContact O-N 3.35Å
804Q95.6Very high92.4Very high42 Ų4233.9 Ų33.920%0.19621%0.212CC..Hα-helixtrans-59.3-38.3174.9-74.6177.524.200112.8S800 A808 E1042S800-Q804 WeakPolarHBondContact O-CG 3.05Å; S800-Q804 PolarHBondContact O-N 3.02Å; Q804-A808 WeakPolarHBondContact O-CB 3.19Å; Q804-A808 PolarHBondContact O-N 3.36Å; Q804-E1042 PolarHBondContact NE2-OE1 2.81Å
805L95.3Very high92Very high1 Ų140.4 Ų40.41%0.00524%0.241CC..Hα-helixtrans-70.1-38.4175.5-79161.9000112.4L790 Y794 A797 T801 K802 D803 M809 L1040 M1043L790-L805 HydrophobicContact CB-CD2 4.37Å; L790-L805 HydrophobicContact CD2-CD2 3.8Å; Y794-L805 HydrophobicContact CD2-CB 3.76Å; A797-L805 HydrophobicContact CB-CD1 4.01Å; T801-L805 WeakPolarHBondContact O-CD1 3.34Å; T801-L805 PolarHBondContact O-N 2.81Å; K802-L805 PolarHBondContact O-N 3.14Å; D803-L805 VanDerWaalsContact C-N 3.3Å; D803-L805 PolarHBondContact O-N 3.49Å; L805-M809 HydrophobicContact CB-CE 4.37Å; L805-M809 HydrophobicContact CD2-CE 4.27Å; L805-M809 WeakPolarHBondContact O-CE 3.45Å; L805-M809 WeakPolarHBondContact O-CG 3.5Å; L805-M809 PolarHBondContact O-N 3.24Å; L805-L1040 HydrophobicContact CD2-CD2 3.64Å; L805-L1040 HydrophobicContact CG-CD2 4.24Å; L805-M1043 HydrophobicContact CD2-CE 4.36Å; L805-M1043 HydrophobicContact CD2-SD 4.11Å
806R94.3Very high91.9Very high51 Ų5143.3 Ų43.319%0.19225%0.254CS..Hα-helixtrans-62.7-56.9172.3177-170.661.8-119.5-14.2110.5Y794 K802 D803 A808 M809 F810 G811 A814 I819Y794-R806 HydrophobicContact CE2-CB 3.92Å; K802-R806 PolarHBondContact O-N 3.21Å; D803-R806 PolarHBondContact O-N 3.39Å; D803-R806 VanDerWaalsContact O-N 3.16Å; D803-R806 IonicContact OD1-CZ 2.97Å; D803-R806 IonicContact OD1-NH1 2.98Å; D803-R806 PolarHBondContact OD1-NH1 3.43Å; D803-R806 IonicContact OD1-NH2 3.6Å; D803-R806 PolarHBondContact OD1-NH2 3.15Å; R806-A808 PolarHBondContact O-N 2.99Å; R806-M809 PolarHBondContact O-N 3.09Å; R806-F810 PolarHBondContact O-N 3.45Å; R806-G811 PolarHBondContact O-N 3.35Å; R806-A814 HydrophobicContact CG-CB 4.31Å; R806-I819 HydrophobicContact CG-CD1 3.96Å
807D92.7Very high91.4Very high68 Ų6849.7 Ų49.736%0.36428%0.284SS..Hα-helixtrans-64.4-33.8-165.8-68.55.3000111.4D803 G811 S812D803-D807 WeakPolarHBondContact O-CB 3.4Å; D803-D807 PolarHBondContact O-N 3.35Å; D807-G811 WeakPolarHBondContact O-CA 3.16Å; D807-G811 PolarHBondContact O-N 2.84Å; D807-S812 VanDerWaalsContact OD1-CA 3.27Å; D807-S812 WeakPolarHBondContact OD1-CA 3.46Å
808A91.6Very high90.7Very high28 Ų2852.1 Ų52.123%0.23130%0.295CS..Hα-helixtrans-76.9-38.2176.700000114.2F762 Q804 R806 L1040F762-A808 WeakPolarHBondContact CB-O 3.34Å; F762-A808 HydrophobicContact CD2-CB 4.24Å; F762-A808 WeakPolarHBondContact CD2-O 3.44Å; F762-A808 HydrophobicContact CE2-CB 3.99Å; F762-A808 WeakPolarHBondContact CG-O 3.39Å; Q804-A808 WeakPolarHBondContact O-CB 3.19Å; Q804-A808 PolarHBondContact O-N 3.36Å; R806-A808 PolarHBondContact O-N 2.99Å; A808-L1040 HydrophobicContact CB-CD1 3.55Å; A808-L1040 HydrophobicContact CB-CD2 4.36Å; A808-L1040 HydrophobicContact CB-CG 4.03Å
809M91.8Very high90.4Very high0 Ų051.4 Ų51.40%029%0.289CS..Hα-helixtrans-92.9-32.2-175.1-64.5-166.4-70.600114.3P758 V759 F762 V787 L790 L805 R806P758-M809 CarbonylContact C-O 3.58Å; V759-M809 VanDerWaalsContact CA-O 3.3Å; V759-M809 WeakPolarHBondContact CA-O 3.41Å; V759-M809 WeakPolarHBondContact CG2-O 3.26Å; V759-M809 PolarHBondContact N-O 3.36Å; F762-M809 HydrophobicContact CD1-CG 3.94Å; F762-M809 HydrophobicContact CE1-CG 3.72Å; F762-M809 HydrophobicContact CE1-SD 4.36Å; F762-M809 HydrophobicContact CG-CG 4.43Å; F762-M809 HydrophobicContact CZ-CG 4.03Å; V787-M809 HydrophobicContact CG1-SD 4.35Å; L790-M809 HydrophobicContact CB-CE 3.89Å; L790-M809 HydrophobicContact CB-SD 3.38Å; L790-M809 WeakPolarHBondContact CB-SD 3.45Å; L790-M809 HydrophobicContact CD1-SD 4.02Å; L790-M809 HydrophobicContact CG-SD 4.33Å; L805-M809 HydrophobicContact CB-CE 4.37Å; L805-M809 HydrophobicContact CD2-CE 4.27Å; L805-M809 WeakPolarHBondContact O-CE 3.45Å; L805-M809 WeakPolarHBondContact O-CG 3.5Å; L805-M809 PolarHBondContact O-N 3.24Å; R806-M809 PolarHBondContact O-N 3.09Å
810F90.4Very high90Very high16 Ų1654.5 Ų54.57%0.0729%0.292CS..THydrogen-bonded Turntrans-125.8-8.7-169.3-53.1-61.7000113V759 R806 A814 I819 F822V759-F810 HydrophobicContact CG2-CD1 3.72Å; V759-F810 HydrophobicContact CG2-CE1 3.86Å; R806-F810 PolarHBondContact O-N 3.45Å; F810-A814 HydrophobicContact CB-CB 3.56Å; F810-A814 WeakPolarHBondContact O-CB 3.22Å; F810-I819 HydrophobicContact CB-CD1 4.37Å; F810-I819 HydrophobicContact CB-CG1 4.17Å; F810-I819 HydrophobicContact CD1-CG1 4.43Å; F810-I819 HydrophobicContact CD2-CB 4.4Å; F810-I819 HydrophobicContact CD2-CD1 3.81Å; F810-I819 HydrophobicContact CD2-CG1 3.68Å; F810-I819 HydrophobicContact CD2-CG2 3.9Å; F810-I819 HydrophobicContact CE2-CB 4.42Å; F810-I819 HydrophobicContact CE2-CD1 4.49Å; F810-I819 HydrophobicContact CE2-CG1 4.19Å; F810-I819 HydrophobicContact CE2-CG2 3.5Å; F810-I819 VanDerWaalsContact CE2-CG2 3.5Å; F810-I819 HydrophobicContact CG-CD1 4.26Å; F810-I819 HydrophobicContact CG-CG1 3.83Å; F810-I819 HydrophobicContact CZ-CG2 3.9Å; F810-F822 HydrophobicContact CE1-CB 4.36Å; F810-F822 AromaticContact CE1-CD1 3.41Å; F810-F822 HydrophobicContact CE1-CD1 3.41Å; F810-F822 VanDerWaalsContact CE1-CD1 3.41Å; F810-F822 AromaticContact CE1-CE1 3.84Å; F810-F822 HydrophobicContact CE1-CE1 3.84Å; F810-F822 AromaticContact CE1-CG 3.91Å; F810-F822 HydrophobicContact CE1-CG 3.91Å; F810-F822 AromaticContact CZ-CD1 3.81Å; F810-F822 HydrophobicContact CZ-CD1 3.81Å; F810-F822 HydrophobicContact CZ-CE1 4.21Å
811G88Confident89.4Confident21 Ų2155.2 Ų55.222%0.21629%0.291CS..  trans81.4154-172.900000113.1R806 D807 V813 A814R806-G811 PolarHBondContact O-N 3.35Å; D807-G811 WeakPolarHBondContact O-CA 3.16Å; D807-G811 PolarHBondContact O-N 2.84Å; G811-V813 PolarHBondContact O-N 2.62Å; G811-V813 VanDerWaalsContact O-N 3.1Å; G811-A814 WeakPolarHBondContact O-CB 3.37Å; G811-A814 PolarHBondContact O-N 3.25Å; G811-A814 VanDerWaalsContact O-N 3.17Å
812S85.5Confident89Confident83 Ų8355.1 Ų55.158%0.5829%0.291SS*.THydrogen-bonded Turntrans-71.6-5.8-168.556.30000116.2D807D807-S812 VanDerWaalsContact OD1-CA 3.27Å; D807-S812 WeakPolarHBondContact OD1-CA 3.46Å
813V85Confident88.6Confident134 Ų13453.3 Ų53.381%0.81228%0.283SS*.THydrogen-bonded Turntrans-105.50.3176.3-62.40000113.6G811 K815G811-V813 PolarHBondContact O-N 2.62Å; G811-V813 VanDerWaalsContact O-N 3.1Å; V813-K815 PolarHBondContact O-N 3.44Å
814A86Confident88Confident21 Ų2153.5 Ų53.517%0.17428%0.284CS..  trans-65.6131-178.100000112.6R806 F810 G811 I819R806-A814 HydrophobicContact CG-CB 4.31Å; F810-A814 HydrophobicContact CB-CB 3.56Å; F810-A814 WeakPolarHBondContact O-CB 3.22Å; G811-A814 WeakPolarHBondContact O-CB 3.37Å; G811-A814 PolarHBondContact O-N 3.25Å; G811-A814 VanDerWaalsContact O-N 3.17Å; A814-I819 HydrophobicContact CB-CD1 4.04Å; A814-I819 HydrophobicContact CB-CG1 4.18Å
815K87.1Confident87.4Confident140 Ų14052.2 Ų52.261%0.60928%0.277SS*.  trans-82.7146.5175.7-61173.1-177.4173.30110.7V813 E817 Q818 I819V813-K815 PolarHBondContact O-N 3.44Å; K815-E817 PolarHBondContact O-N 3.06Å; K815-E817 VanDerWaalsContact O-N 3.1Å; K815-Q818 HydrophobicContact CB-CG 4.27Å; K815-Q818 WeakPolarHBondContact O-CB 3.28Å; K815-Q818 PolarHBondContact O-N 2.99Å; K815-I819 WeakPolarHBondContact O-CG1 3.37Å; K815-I819 PolarHBondContact O-N 3.24Å; K815-I819 VanDerWaalsContact O-N 3.15Å
816E87.9Confident86.9Confident82 Ų8252.1 Ų52.138%0.38328%0.277SS..Hα-helixtrans-52.1-35.4176.8-166.584.4-163.400112.6Y794 K802 I819 Q820Y794-E816 PolarHBondContact OH-OE2 3.3Å; K802-E816 IonicContact NZ-OE1 2.59Å; K802-E816 PolarHBondContact NZ-OE1 3.13Å; K802-E816 IonicContact NZ-OE2 3.8Å; K802-E816 PolarHBondContact NZ-OE2 2.95Å; E816-I819 PolarHBondContact O-N 3.2Å; E816-Q820 WeakPolarHBondContact O-CG 3.49Å; E816-Q820 PolarHBondContact O-N 2.96Å
817E83Confident86.2Confident133 Ų13350.4 Ų50.462%0.62127%0.271SS*.Hα-helixtrans-62.6-44.6175.4-177.4179.3-166.400112.9K815 I819 Q820 N821K815-E817 PolarHBondContact O-N 3.06Å; K815-E817 VanDerWaalsContact O-N 3.1Å; E817-I819 VanDerWaalsContact C-N 3.29Å; E817-I819 PolarHBondContact O-N 3.17Å; E817-Q820 PolarHBondContact O-N 3.39Å; E817-N821 PolarHBondContact O-N 3.26Å; E817-N821 PolarHBondContact O-ND2 3.04Å; E817-N821 PolarHBondContact O-OD1 3.45Å
818Q81.5Confident85.4Confident54 Ų5451.2 Ų51.225%0.25228%0.276SS..Hα-helixtrans-65.5-37.5177.4-61.1174-82.900110.9Q755 K815 N821 F822Q755-Q818 VanDerWaalsContact OE1-NE2 3.12Å; K815-Q818 HydrophobicContact CB-CG 4.27Å; K815-Q818 WeakPolarHBondContact O-CB 3.28Å; K815-Q818 PolarHBondContact O-N 2.99Å; Q818-N821 PolarHBondContact O-N 3.42Å; Q818-F822 PolarHBondContact O-N 3.02Å
819I88.4Confident84.7Confident2 Ų251 Ų511%0.0127%0.27CS..Hα-helixtrans-69-39.1177.3-59.9168.9000110.8Y794 R806 F810 A814 K815 E816 E817 F822 I823Y794-I819 HydrophobicContact CD1-CG2 4.11Å; Y794-I819 HydrophobicContact CE1-CD1 4.41Å; Y794-I819 HydrophobicContact CE1-CG2 3.57Å; Y794-I819 VanDerWaalsContact OH-CD1 3.22Å; Y794-I819 WeakPolarHBondContact OH-CD1 3.44Å; R806-I819 HydrophobicContact CG-CD1 3.96Å; F810-I819 HydrophobicContact CB-CD1 4.37Å; F810-I819 HydrophobicContact CB-CG1 4.17Å; F810-I819 HydrophobicContact CD1-CG1 4.43Å; F810-I819 HydrophobicContact CD2-CB 4.4Å; F810-I819 HydrophobicContact CD2-CD1 3.81Å; F810-I819 HydrophobicContact CD2-CG1 3.68Å; F810-I819 HydrophobicContact CD2-CG2 3.9Å; F810-I819 HydrophobicContact CE2-CB 4.42Å; F810-I819 HydrophobicContact CE2-CD1 4.49Å; F810-I819 HydrophobicContact CE2-CG1 4.19Å; F810-I819 HydrophobicContact CE2-CG2 3.5Å; F810-I819 VanDerWaalsContact CE2-CG2 3.5Å; F810-I819 HydrophobicContact CG-CD1 4.26Å; F810-I819 HydrophobicContact CG-CG1 3.83Å; F810-I819 HydrophobicContact CZ-CG2 3.9Å; A814-I819 HydrophobicContact CB-CD1 4.04Å; A814-I819 HydrophobicContact CB-CG1 4.18Å; K815-I819 WeakPolarHBondContact O-CG1 3.37Å; K815-I819 PolarHBondContact O-N 3.24Å; K815-I819 VanDerWaalsContact O-N 3.15Å; E816-I819 PolarHBondContact O-N 3.2Å; E817-I819 VanDerWaalsContact C-N 3.29Å; E817-I819 PolarHBondContact O-N 3.17Å; I819-F822 PolarHBondContact O-N 3Å; I819-I823 HydrophobicContact CG2-CD1 4.01Å; I819-I823 WeakPolarHBondContact O-CB 3.44Å; I819-I823 VanDerWaalsContact O-CG1 3.23Å; I819-I823 WeakPolarHBondContact O-CG1 3.17Å; I819-I823 PolarHBondContact O-N 3.17Å
820Q85.3Confident84Confident106 Ų10651.7 Ų51.750%0.49527%0.274SS..Hα-helixtrans-65.9-40.3173.5-74.5177.927.200112E816 E817 I823 I824E816-Q820 WeakPolarHBondContact O-CG 3.49Å; E816-Q820 PolarHBondContact O-N 2.96Å; E817-Q820 PolarHBondContact O-N 3.39Å; Q820-I823 PolarHBondContact O-N 2.9Å; Q820-I824 WeakPolarHBondContact O-CG1 3.44Å; Q820-I824 PolarHBondContact O-N 3.38Å
821N82.3Confident83.1Confident71 Ų7153.4 Ų53.438%0.3829%0.288SS..Hα-helixtrans-62.8-44.3174.9-67.2-15.1000111.5E817 Q818 I823 I824 F825E817-N821 PolarHBondContact O-N 3.26Å; E817-N821 PolarHBondContact O-ND2 3.04Å; E817-N821 PolarHBondContact O-OD1 3.45Å; Q818-N821 PolarHBondContact O-N 3.42Å; N821-I823 PolarHBondContact O-N 2.92Å; N821-I824 PolarHBondContact O-N 3.1Å; N821-F825 WeakPolarHBondContact O-CB 3.43Å; N821-F825 PolarHBondContact O-N 3.47Å
822F87Confident82Confident0 Ų053.4 Ų53.40%029%0.286CS..Hα-helixtrans-59.1-44.1172.9178.6-99.5000112.5M751 L756 V759 V787 F810 Q818 I819 I824 F825 L826M751-F822 HydrophobicContact CE-CB 3.8Å; M751-F822 HydrophobicContact CE-CD2 4.26Å; M751-F822 HydrophobicContact CE-CG 4.46Å; M751-F822 WeakPolarHBondContact SD-CA 3.23Å; M751-F822 HydrophobicContact SD-CB 3.51Å; M751-F822 VanDerWaalsContact SD-CB 3.51Å; M751-F822 HydrophobicContact SD-CD2 3.71Å; M751-F822 HydrophobicContact SD-CG 4.11Å; L756-F822 HydrophobicContact CD2-CD2 3.94Å; L756-F822 HydrophobicContact CD2-CE2 4.05Å; V759-F822 HydrophobicContact CB-CE2 4.41Å; V759-F822 HydrophobicContact CG1-CE1 4.37Å; V759-F822 HydrophobicContact CG1-CE2 3.91Å; V759-F822 HydrophobicContact CG1-CZ 3.62Å; V759-F822 HydrophobicContact CG2-CD2 4.25Å; V759-F822 HydrophobicContact CG2-CE2 4.03Å; V759-F822 HydrophobicContact CG2-CZ 4.24Å; V787-F822 HydrophobicContact CG1-CE1 3.67Å; V787-F822 HydrophobicContact CG1-CZ 3.94Å; F810-F822 HydrophobicContact CE1-CB 4.36Å; F810-F822 AromaticContact CE1-CD1 3.41Å; F810-F822 HydrophobicContact CE1-CD1 3.41Å; F810-F822 VanDerWaalsContact CE1-CD1 3.41Å; F810-F822 AromaticContact CE1-CE1 3.84Å; F810-F822 HydrophobicContact CE1-CE1 3.84Å; F810-F822 AromaticContact CE1-CG 3.91Å; F810-F822 HydrophobicContact CE1-CG 3.91Å; F810-F822 AromaticContact CZ-CD1 3.81Å; F810-F822 HydrophobicContact CZ-CD1 3.81Å; F810-F822 HydrophobicContact CZ-CE1 4.21Å; Q818-F822 PolarHBondContact O-N 3.02Å; I819-F822 PolarHBondContact O-N 3Å; F822-I824 VanDerWaalsContact C-N 3.33Å; F822-I824 PolarHBondContact O-N 3.27Å; F822-F825 HydrophobicContact CD2-CD1 4.4Å; F822-F825 HydrophobicContact CE2-CD1 4.43Å; F822-F825 PolarHBondContact O-N 3.03Å; F822-L826 HydrophobicContact CE1-CB 4.27Å; F822-L826 HydrophobicContact CE1-CD2 3.72Å; F822-L826 HydrophobicContact CZ-CB 4.34Å; F822-L826 HydrophobicContact CZ-CD2 4.11Å; F822-L826 VanDerWaalsContact O-CB 3.23Å; F822-L826 WeakPolarHBondContact O-CB 3.39Å; F822-L826 PolarHBondContact O-N 2.97Å
823I86.6Confident80.7Confident5 Ų549.5 Ų49.53%0.02626%0.259CS..Hα-helixtrans-61.4-42.4179-74.3169.5000110.9C791 M795 I819 Q820 N821 I827 F868C791-I823 HydrophobicContact CB-CD1 4.06Å; C791-I823 HydrophobicContact CB-CG1 3.88Å; M795-I823 HydrophobicContact CG-CD1 4.48Å; M795-I823 HydrophobicContact SD-CD1 4.34Å; I819-I823 HydrophobicContact CG2-CD1 4.01Å; I819-I823 WeakPolarHBondContact O-CB 3.44Å; I819-I823 VanDerWaalsContact O-CG1 3.23Å; I819-I823 WeakPolarHBondContact O-CG1 3.17Å; I819-I823 PolarHBondContact O-N 3.17Å; Q820-I823 PolarHBondContact O-N 2.9Å; N821-I823 PolarHBondContact O-N 2.92Å; I823-I827 HydrophobicContact CG2-CD1 3.69Å; I823-I827 WeakPolarHBondContact O-CB 3.13Å; I823-I827 VanDerWaalsContact O-CD1 3.22Å; I823-I827 WeakPolarHBondContact O-CD1 3.38Å; I823-I827 WeakPolarHBondContact O-CG1 3.33Å; I823-I827 PolarHBondContact O-N 3.05Å; I823-F868 HydrophobicContact CG2-CE1 3.98Å; I823-F868 HydrophobicContact CG2-CE2 4.5Å; I823-F868 HydrophobicContact CG2-CZ 3.73Å
824I83Confident79.4Confident66 Ų6648.7 Ų48.734%0.33824%0.244SC..Hα-helixtrans-62.8-52176.2-67.4163.1000110.5L749 Q820 N821 F822 L826 I827 D828L749-I824 HydrophobicContact CD1-CG2 4.32Å; Q820-I824 WeakPolarHBondContact O-CG1 3.44Å; Q820-I824 PolarHBondContact O-N 3.38Å; N821-I824 PolarHBondContact O-N 3.1Å; F822-I824 VanDerWaalsContact C-N 3.33Å; F822-I824 PolarHBondContact O-N 3.27Å; I824-L826 VanDerWaalsContact C-N 3.32Å; I824-L826 PolarHBondContact O-N 2.8Å; I824-I827 WeakPolarHBondContact O-CB 3.37Å; I824-I827 PolarHBondContact O-N 3.12Å; I824-I827 VanDerWaalsContact O-N 3.12Å; I824-D828 PolarHBondContact O-N 3.43Å
825F83.8Confident78.1Confident14 Ų1453 Ų536%0.06126%0.261CS..Hα-helixtrans-53.8-46.8176.8164.8-94.5000112.4N821 F822 I827 D828 L829 N1117 L1119N821-F825 WeakPolarHBondContact O-CB 3.43Å; N821-F825 PolarHBondContact O-N 3.47Å; F822-F825 HydrophobicContact CD2-CD1 4.4Å; F822-F825 HydrophobicContact CE2-CD1 4.43Å; F822-F825 PolarHBondContact O-N 3.03Å; F825-I827 VanDerWaalsContact C-N 3.33Å; F825-I827 PolarHBondContact O-N 2.72Å; F825-D828 PolarHBondContact O-N 2.96Å; F825-L829 HydrophobicContact CE1-CD2 4.13Å; F825-L829 HydrophobicContact CZ-CD2 3.98Å; F825-L829 WeakPolarHBondContact O-CB 3.4Å; F825-L829 PolarHBondContact O-N 3.43Å; F825-N1117 WeakPolarHBondContact CE2-ND2 2.9Å; F825-N1117 HydrophobicContact CZ-CB 4.32Å; F825-N1117 WeakPolarHBondContact CZ-ND2 3.38Å; F825-L1119 HydrophobicContact CE1-CD1 3.39Å; F825-L1119 HydrophobicContact CZ-CD1 3.62Å
826L83.8Confident76.3Confident0 Ų057.9 Ų57.90%028%0.275CS..Hα-helixtrans-62.1-39.2178.6176.461.1000112.4L784 V787 N788 F822 I824 L830L784-L826 HydrophobicContact CD1-CD1 3.63Å; L784-L826 HydrophobicContact CD2-CD1 4.15Å; L784-L826 HydrophobicContact CG-CD1 3.6Å; V787-L826 HydrophobicContact CG1-CD2 4.2Å; N788-L826 HydrophobicContact CB-CD2 3.96Å; N788-L826 HydrophobicContact CB-CG 4.44Å; F822-L826 HydrophobicContact CE1-CB 4.27Å; F822-L826 HydrophobicContact CE1-CD2 3.72Å; F822-L826 HydrophobicContact CZ-CB 4.34Å; F822-L826 HydrophobicContact CZ-CD2 4.11Å; F822-L826 VanDerWaalsContact O-CB 3.23Å; F822-L826 WeakPolarHBondContact O-CB 3.39Å; F822-L826 PolarHBondContact O-N 2.97Å; I824-L826 VanDerWaalsContact C-N 3.32Å; I824-L826 PolarHBondContact O-N 2.8Å; L826-L830 HydrophobicContact CD1-CD1 3.76Å; L826-L830 HydrophobicContact CD1-CG 4.09Å; L826-L830 HydrophobicContact CG-CD1 4.09Å; L826-L830 WeakPolarHBondContact O-CB 3.22Å; L826-L830 VanDerWaalsContact O-CG 3.28Å; L826-L830 WeakPolarHBondContact O-CG 3.28Å; L826-L830 PolarHBondContact O-N 2.93Å
827I80.2Confident74.8Confident14 Ų1458.9 Ų58.97%0.07228%0.283CS..Hα-helixtrans-67.2-45.2177.6-73.2161.4000110.9I823 I824 F825 L830 S831 L867 F868I823-I827 HydrophobicContact CG2-CD1 3.69Å; I823-I827 WeakPolarHBondContact O-CB 3.13Å; I823-I827 VanDerWaalsContact O-CD1 3.22Å; I823-I827 WeakPolarHBondContact O-CD1 3.38Å; I823-I827 WeakPolarHBondContact O-CG1 3.33Å; I823-I827 PolarHBondContact O-N 3.05Å; I824-I827 WeakPolarHBondContact O-CB 3.37Å; I824-I827 PolarHBondContact O-N 3.12Å; I824-I827 VanDerWaalsContact O-N 3.12Å; F825-I827 VanDerWaalsContact C-N 3.33Å; F825-I827 PolarHBondContact O-N 2.72Å; I827-L830 PolarHBondContact O-N 3.34Å; I827-S831 WeakPolarHBondContact O-CB 3.48Å; I827-S831 PolarHBondContact O-N 2.84Å; I827-S831 PolarHBondContact O-OG 3.01Å; I827-L867 HydrophobicContact CD1-CB 3.62Å; I827-L867 WeakPolarHBondContact CG2-O 3.27Å; I827-F868 HydrophobicContact CD1-CD1 3.69Å; I827-F868 HydrophobicContact CD1-CE1 3.94Å; I827-F868 HydrophobicContact CD1-CG 4.07Å; I827-F868 HydrophobicContact CG1-CD1 3.61Å; I827-F868 HydrophobicContact CG1-CE1 4.03Å; I827-F868 HydrophobicContact CG1-CG 4.3Å
828D76.1Confident74Confident85 Ų8554.1 Ų54.146%0.45526%0.261SS..Hα-helixtrans-64.1-45.3179.9-71.1-22.4000110.6I824 F825 L830 S831 A832I824-D828 PolarHBondContact O-N 3.43Å; F825-D828 PolarHBondContact O-N 2.96Å; D828-L830 PolarHBondContact O-N 3.43Å; D828-S831 PolarHBondContact O-N 2.76Å; D828-S831 VanDerWaalsContact O-N 3.17Å; D828-A832 WeakPolarHBondContact O-CB 3.48Å; D828-A832 PolarHBondContact O-N 2.97Å
829L76.8Confident73.4Confident23 Ų2352.6 Ų52.612%0.1226%0.259CS..Hα-helixtrans-58.5-47.3174.8174.854.2000112.9L784 F825 S831 E1114 L1121L784-L829 HydrophobicContact CD2-CD2 3.88Å; F825-L829 HydrophobicContact CE1-CD2 4.13Å; F825-L829 HydrophobicContact CZ-CD2 3.98Å; F825-L829 WeakPolarHBondContact O-CB 3.4Å; F825-L829 PolarHBondContact O-N 3.43Å; L829-S831 VanDerWaalsContact C-N 3.27Å; L829-S831 PolarHBondContact O-N 3.4Å; L829-E1114 HydrophobicContact CD1-CB 4.48Å; L829-E1114 HydrophobicContact CD1-CG 3.51Å; L829-E1114 HydrophobicContact CD2-CG 4.03Å; L829-E1114 HydrophobicContact CG-CG 4.44Å; L829-L1121 HydrophobicContact CD2-CD1 4.36Å
830L75.8Confident72.8Confident16 Ų1652.7 Ų52.78%0.08426%0.259CS..Hα-helixtrans-73.7-16.7178.2-67.9177.6000113.5L784 N788 L826 I827 D828 L842L784-L830 HydrophobicContact CD2-CD2 4.45Å; N788-L830 HydrophobicContact CB-CD1 3.72Å; L826-L830 HydrophobicContact CD1-CD1 3.76Å; L826-L830 HydrophobicContact CD1-CG 4.09Å; L826-L830 HydrophobicContact CG-CD1 4.09Å; L826-L830 WeakPolarHBondContact O-CB 3.22Å; L826-L830 VanDerWaalsContact O-CG 3.28Å; L826-L830 WeakPolarHBondContact O-CG 3.28Å; L826-L830 PolarHBondContact O-N 2.93Å; I827-L830 PolarHBondContact O-N 3.34Å; D828-L830 PolarHBondContact O-N 3.43Å; L830-L842 HydrophobicContact CD2-CD2 3.89Å
831S71.8Confident72.3Confident52 Ų5250.8 Ų50.836%0.36425%0.253SS..Hα-helixtrans-88.1-41.3177-61.30000112.3I827 D828 L829 G833 K834I827-S831 WeakPolarHBondContact O-CB 3.48Å; I827-S831 PolarHBondContact O-N 2.84Å; I827-S831 PolarHBondContact O-OG 3.01Å; D828-S831 PolarHBondContact O-N 2.76Å; D828-S831 VanDerWaalsContact O-N 3.17Å; L829-S831 VanDerWaalsContact C-N 3.27Å; L829-S831 PolarHBondContact O-N 3.4Å; S831-G833 PolarHBondContact O-N 3.27Å; S831-K834 PolarHBondContact O-N 3.08Å; S831-K834 VanDerWaalsContact O-N 3.11Å
832A64.4Low72.1Confident21 Ų2147.6 Ų47.617%0.17424%0.235CC..Hα-helixtrans-56.7-34.2-179.400000112.8D828 K834 E835 K838D828-A832 WeakPolarHBondContact O-CB 3.48Å; D828-A832 PolarHBondContact O-N 2.97Å; A832-K834 PolarHBondContact O-N 3.13Å; A832-E835 WeakPolarHBondContact O-CB 3.31Å; A832-E835 PolarHBondContact O-N 3.19Å; A832-E835 VanDerWaalsContact O-N 3.11Å; A832-K838 WeakPolarHBondContact O-CD 3.39Å; A832-K838 WeakPolarHBondContact O-CE 3.49Å
833G58.1Low71.5Confident0 Ų048.7 Ų48.70%024%0.241CC..THydrogen-bonded Turntrans-67.36.5177.100000116.4S831 L842S831-G833 PolarHBondContact O-N 3.27Å; G833-L842 PolarHBondContact O-N 3.2Å
834K57.4Low70.9Confident117 Ų11749.2 Ų49.251%0.50925%0.246SC..THydrogen-bonded Turntrans-106.3-0.7172.7-61.5-179.7-178.6177.50113.3S831 A832S831-K834 PolarHBondContact O-N 3.08Å; S831-K834 VanDerWaalsContact O-N 3.11Å; A832-K834 PolarHBondContact O-N 3.13Å
835E60.3Low70.6Confident112 Ų11246.1 Ų46.152%0.52323%0.231SC..  trans-75.6126.6177.5-68.4174.5-172.500111.5A832 D837 K838A832-E835 WeakPolarHBondContact O-CB 3.31Å; A832-E835 PolarHBondContact O-N 3.19Å; A832-E835 VanDerWaalsContact O-N 3.11Å; E835-D837 VanDerWaalsContact C-N 3.25Å; E835-D837 PolarHBondContact O-N 2.84Å; E835-K838 HydrophobicContact CB-CD 4.32Å; E835-K838 HydrophobicContact CB-CG 4.19Å; E835-K838 PolarHBondContact O-N 3.46Å; E835-K838 WeakPolarHBondContact OE2-CE 3.48Å; E835-K838 IonicContact OE2-NZ 2.84Å
836R48.2Very low70.7Confident242 Ų24246 Ų4691%0.91323%0.232SC*.THydrogen-bonded Turntrans-63.7-19.8-164.5-76.6-176.1172.8175.1-1.6116.3
837D57.7Low71Confident103 Ų10347.9 Ų47.955%0.55124%0.239SC*.THydrogen-bonded Turntrans-102.7-8.3-170.8-74.1-55.6000114.6K496 E835 G839K496-D837 WeakPolarHBondContact CE-OD2 2.97Å; K496-D837 IonicContact NZ-OD1 2.69Å; K496-D837 PolarHBondContact NZ-OD1 2.97Å; K496-D837 IonicContact NZ-OD2 2.67Å; K496-D837 PolarHBondContact NZ-OD2 3.38Å; E835-D837 VanDerWaalsContact C-N 3.25Å; E835-D837 PolarHBondContact O-N 2.84Å; D837-G839 PolarHBondContact O-N 3.11Å; D837-G839 VanDerWaalsContact O-N 3.08Å
838K64.8Low71.7Confident34 Ų3447.2 Ų47.215%0.14824%0.235CC..SBendtrans-66.8-10.9-175.2-68.6-167.8-179.9-119.20115.4A832 E835 Y840 K975 E978A832-K838 WeakPolarHBondContact O-CD 3.39Å; A832-K838 WeakPolarHBondContact O-CE 3.49Å; E835-K838 HydrophobicContact CB-CD 4.32Å; E835-K838 HydrophobicContact CB-CG 4.19Å; E835-K838 PolarHBondContact O-N 3.46Å; E835-K838 WeakPolarHBondContact OE2-CE 3.48Å; E835-K838 IonicContact OE2-NZ 2.84Å; K838-Y840 HydrophobicContact CB-CD1 3.97Å; K838-Y840 HydrophobicContact CB-CE1 3.76Å; K838-Y840 HydrophobicContact CD-CE1 3.98Å; K838-Y840 HydrophobicContact CG-CE1 4.5Å; K838-Y840 PolarHBondContact O-N 3.13Å; K838-K975 CarbonylContact O-C 3.58Å; K838-K975 VanDerWaalsContact O-O 3.05Å; K838-E978 IonicContact NZ-OE1 3.09Å; K838-E978 PolarHBondContact NZ-OE1 3.37Å; K838-E978 IonicContact NZ-OE2 2.71Å; K838-E978 PolarHBondContact NZ-OE2 2.84Å
839G70.1Confident72.5Confident21 Ų2143.4 Ų43.422%0.21622%0.215CC..SBendtrans80.4-1.3-17900000115.1D837 D925D837-G839 PolarHBondContact O-N 3.11Å; D837-G839 VanDerWaalsContact O-N 3.08Å; G839-D925 PolarHBondContact O-N 2.97Å
840Y76.2Confident73.4Confident5 Ų542.3 Ų42.32%0.0221%0.209CC..EExtended strand (participates in β ladder)trans-133.5163.8168.872-89.6000111K838 L842 F922 K923 E978 L979K838-Y840 HydrophobicContact CB-CD1 3.97Å; K838-Y840 HydrophobicContact CB-CE1 3.76Å; K838-Y840 HydrophobicContact CD-CE1 3.98Å; K838-Y840 HydrophobicContact CG-CE1 4.5Å; K838-Y840 PolarHBondContact O-N 3.13Å; Y840-L842 HydrophobicContact CD2-CB 4.5Å; Y840-L842 HydrophobicContact CE2-CB 4.37Å; Y840-F922 AromaticContact CD2-CE2 3.79Å; Y840-F922 HydrophobicContact CD2-CE2 3.79Å; Y840-F922 HydrophobicContact CG-CE2 4.13Å; Y840-K923 CarbonylContact C-O 3.56Å; Y840-K923 WeakPolarHBondContact CA-O 3.42Å; Y840-K923 VanDerWaalsContact CB-O 3.29Å; Y840-K923 WeakPolarHBondContact CB-O 3.33Å; Y840-E978 HydrophobicContact CE1-CB 4.38Å; Y840-E978 PolarHBondContact OH-OE2 2.76Å; Y840-L979 HydrophobicContact CD1-CD1 4.19Å; Y840-L979 HydrophobicContact CD2-CD1 3.65Å; Y840-L979 HydrophobicContact CE1-CD1 4.08Å; Y840-L979 HydrophobicContact CE1-CG 4.23Å; Y840-L979 HydrophobicContact CE2-CD1 3.51Å; Y840-L979 HydrophobicContact CE2-CG 4.36Å; Y840-L979 HydrophobicContact CG-CD1 3.99Å
841N74.7Confident74.3Confident66 Ų6643.1 Ų43.135%0.35321%0.212SC..EExtended strand (participates in β ladder)trans-131.9125174.3-67.3-112.9000107.9K923N841-K923 HydrophobicContact CB-CB 4.46Å; N841-K923 PolarHBondContact N-O 2.82Å; N841-K923 PolarHBondContact O-N 3Å; N841-K923 VanDerWaalsContact O-N 3.07Å
842L77.9Confident75.2Confident3 Ų343.1 Ų43.12%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-115.396.6175.6-178.465.7000109.5L830 G833 Y840 A844 V920 F922 L1121 F1122L830-L842 HydrophobicContact CD2-CD2 3.89Å; G833-L842 PolarHBondContact O-N 3.2Å; Y840-L842 HydrophobicContact CD2-CB 4.5Å; Y840-L842 HydrophobicContact CE2-CB 4.37Å; L842-A844 PolarHBondContact O-N 3.06Å; L842-V920 HydrophobicContact CD1-CG2 4.17Å; L842-F922 HydrophobicContact CD1-CB 4.37Å; L842-F922 HydrophobicContact CD1-CD2 4.12Å; L842-L1121 HydrophobicContact CD1-CD2 4.36Å; L842-L1121 HydrophobicContact CD2-CD2 3.69Å; L842-F1122 HydrophobicContact CD1-CE2 3.74Å; L842-F1122 HydrophobicContact CD1-CZ 3.92Å
843N73.7Confident76.4Confident23 Ų2345.3 Ų45.312%0.12324%0.237CC..EExtended strand (participates in β ladder)trans-99.393-179-78.7-3.4000110.4N896 V920 Y921N843-N896 PolarHBondContact ND2-ND2 3.11Å; N843-V920 WeakPolarHBondContact O-CA 3.38Å; N843-Y921 PolarHBondContact N-O 3.36Å; N843-Y921 PolarHBondContact O-N 2.87Å
844A75Confident77.9Confident16 Ų1646.7 Ų46.713%0.13224%0.243CC..EExtended strand (participates in β ladder)trans-92.9116.7169.700000111.2L842 V920L842-A844 PolarHBondContact O-N 3.06Å; A844-V920 HydrophobicContact CB-CB 4.44Å; A844-V920 HydrophobicContact CB-CG2 4.01Å
845A75.7Confident79.6Confident1 Ų146.3 Ų46.31%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-96.193.5170.500000108.9W890 Q894 T895 N918 A919A845-W890 HydrophobicContact CB-CH2 3.97Å; A845-W890 HydrophobicContact CB-CZ3 3.88Å; A845-Q894 HydrophobicContact CB-CB 3.5Å; A845-Q894 VanDerWaalsContact CB-CB 3.5Å; A845-Q894 HydrophobicContact CB-CG 4.15Å; A845-T895 HydrophobicContact CB-CG2 4.26Å; A845-N918 WeakPolarHBondContact O-CA 3.26Å; A845-A919 WeakPolarHBondContact CA-O 3.29Å; A845-A919 HydrophobicContact CB-CB 4.32Å; A845-A919 WeakPolarHBondContact CB-O 3.25Å; A845-A919 PolarHBondContact N-O 2.9Å; A845-A919 PolarHBondContact O-N 3.35Å
846S86.7Confident81.2Confident12 Ų1242.9 Ų42.98%0.08423%0.228CC..EExtended strand (participates in β ladder)trans-113.9126179.2-67.20000109.7N788 S870 V917 N918N788-S846 PolarHBondContact ND2-OG 3.34Å; S846-S870 PolarHBondContact O-OG 2.73Å; S846-V917 WeakPolarHBondContact CA-O 3.49Å; S846-N918 PolarHBondContact OG-ND2 3.46Å
847R90Very high83.4Confident39 Ų3933.1 Ų33.115%0.14719%0.194CC..EExtended strand (participates in β ladder)trans-158154179.3-156.1176.7-168.5-170.72.7113.2Y849 D871 W890 V917R847-Y849 HydrophobicContact CB-CD2 4.36Å; R847-Y849 HydrophobicContact CB-CE2 3.86Å; R847-Y849 HydrophobicContact CG-CE2 4.1Å; R847-Y849 PolarHBondContact NH1-OH 2.86Å; R847-D871 IonicContact CZ-OD1 3.64Å; R847-D871 VanDerWaalsContact CZ-OD1 3.28Å; R847-D871 IonicContact CZ-OD2 2.88Å; R847-D871 IonicContact NE-OD1 3.96Å; R847-D871 PolarHBondContact NE-OD1 3.01Å; R847-D871 IonicContact NE-OD2 3.64Å; R847-D871 VanDerWaalsContact NH2-CG 3.31Å; R847-D871 IonicContact NH2-OD1 3.08Å; R847-D871 PolarHBondContact NH2-OD1 3.27Å; R847-D871 VanDerWaalsContact NH2-OD1 3.09Å; R847-D871 IonicContact NH2-OD2 3.31Å; R847-D871 PolarHBondContact NH2-OD2 3.38Å; R847-W890 HydrophobicContact CB-CH2 3.57Å; R847-W890 HydrophobicContact CB-CZ2 4.14Å; R847-W890 HydrophobicContact CB-CZ3 3.82Å; R847-W890 HydrophobicContact CG-CH2 4.3Å; R847-W890 HydrophobicContact CG-CZ2 4.39Å; R847-V917 PolarHBondContact N-O 3.49Å; R847-V917 PolarHBondContact O-N 3.12Å
848L93.9Very high85Confident0 Ų034 Ų340%019%0.193CC..EExtended strand (participates in β ladder)trans-102.2127.6172.7-53.4-175.4000110.1V789 M792 T793 F860 L864 M872 A873 L914 L916 M1054V789-L848 HydrophobicContact CG1-CD2 4.34Å; M792-L848 HydrophobicContact CB-CD1 4.32Å; M792-L848 HydrophobicContact CB-CD2 4.42Å; T793-L848 HydrophobicContact CG2-CD2 4.15Å; L848-F860 HydrophobicContact CD1-CE1 3.91Å; L848-F860 HydrophobicContact CD1-CZ 3.79Å; L848-L864 HydrophobicContact CD1-CD1 4.05Å; L848-M872 HydrophobicContact CB-CB 4.39Å; L848-M872 HydrophobicContact CB-CG 4.01Å; L848-M872 WeakPolarHBondContact O-CA 3.39Å; L848-A873 PolarHBondContact O-N 2.98Å; L848-L914 HydrophobicContact CB-CD1 4.41Å; L848-L916 HydrophobicContact CD2-CD2 3.43Å; L848-L916 VanDerWaalsContact CD2-CD2 3.43Å; L848-M1054 HydrophobicContact CD1-CE 4.25Å
849Y94.4Very high86.3Confident6 Ų635.5 Ų35.52%0.02421%0.207CC..EExtended strand (participates in β ladder)trans-117.6118.2176.5-73.1-91.2000110.4R847 A873 V875 I887 W890 L914 V915 V917R847-Y849 HydrophobicContact CB-CD2 4.36Å; R847-Y849 HydrophobicContact CB-CE2 3.86Å; R847-Y849 HydrophobicContact CG-CE2 4.1Å; R847-Y849 PolarHBondContact NH1-OH 2.86Å; Y849-A873 WeakPolarHBondContact CA-O 3.38Å; Y849-A873 HydrophobicContact CD1-CB 3.57Å; Y849-A873 HydrophobicContact CE1-CB 3.7Å; Y849-A873 HydrophobicContact CG-CB 4.36Å; Y849-V875 HydrophobicContact CD1-CG1 3.84Å; Y849-V875 HydrophobicContact CD1-CG2 4.35Å; Y849-V875 HydrophobicContact CE1-CG1 4.38Å; Y849-I887 HydrophobicContact CD1-CD1 4.06Å; Y849-I887 HydrophobicContact CD1-CG1 3.69Å; Y849-I887 HydrophobicContact CD2-CD1 4.45Å; Y849-I887 HydrophobicContact CD2-CG1 4.27Å; Y849-I887 HydrophobicContact CD2-CG2 4.43Å; Y849-I887 HydrophobicContact CE1-CD1 4.43Å; Y849-I887 HydrophobicContact CE1-CG1 3.57Å; Y849-I887 HydrophobicContact CE2-CG1 4.16Å; Y849-I887 HydrophobicContact CE2-CG2 3.95Å; Y849-I887 HydrophobicContact CG-CD1 4.05Å; Y849-I887 HydrophobicContact CG-CG1 4.03Å; Y849-W890 HydrophobicContact CE2-CE3 4.39Å; Y849-W890 VanDerWaalsContact OH-CD2 3.3Å; Y849-W890 VanDerWaalsContact OH-CE3 3.27Å; Y849-L914 CarbonylContact O-C 3.54Å; Y849-L914 WeakPolarHBondContact O-CA 3.21Å; Y849-V915 PolarHBondContact N-O 3.16Å; Y849-V915 PolarHBondContact O-N 3.03Å; Y849-V917 HydrophobicContact CD2-CB 4.05Å; Y849-V917 HydrophobicContact CD2-CG2 3.58Å; Y849-V917 HydrophobicContact CE2-CB 3.98Å; Y849-V917 HydrophobicContact CE2-CG1 4.28Å; Y849-V917 HydrophobicContact CE2-CG2 3.75Å
850C94.4Very high87.4Confident0 Ų034.5 Ų34.50%020%0.197CC..EExtended strand (participates in β ladder)trans-119.6150.8-174.9-178.10000112.1S852 M872 A873 L874 V875 K913 L914C850-S852 PolarHBondContact O-N 3.47Å; C850-M872 HydrophobicContact CB-CE 3.4Å; C850-A873 PolarHBondContact N-O 2.98Å; C850-L874 HydrophobicContact CB-CD2 4.04Å; C850-L874 WeakPolarHBondContact O-CA 3.22Å; C850-V875 PolarHBondContact O-N 3.07Å; C850-K913 CarbonylContact C-O 3.52Å; C850-K913 VanDerWaalsContact CA-O 3.29Å; C850-K913 WeakPolarHBondContact CA-O 3.4Å; C850-L914 HydrophobicContact CB-CD1 4.16Å
851Q94.7Very high88.1Confident32 Ų3235.8 Ų35.815%0.1521%0.205CC..EExtended strand (participates in β ladder)trans-61.4130.6176.8175.654.129.200111.1G853 F854 V875 N876 F877 K913Q851-G853 PolarHBondContact O-N 2.66Å; Q851-F854 HydrophobicContact CB-CD2 4.07Å; Q851-F854 HydrophobicContact CB-CE2 4.16Å; Q851-F854 HydrophobicContact CG-CD2 4.45Å; Q851-F854 HydrophobicContact CG-CE2 4.39Å; Q851-F854 WeakPolarHBondContact O-CD2 3.37Å; Q851-F854 PolarHBondContact O-N 3.14Å; Q851-V875 CarbonylContact C-O 3.49Å; Q851-V875 WeakPolarHBondContact CA-O 3.33Å; Q851-V875 PolarHBondContact OE1-O 2.61Å; Q851-N876 PolarHBondContact NE2-OD1 3.15Å; Q851-N876 VanDerWaalsContact NE2-OD1 3.08Å; Q851-F877 HydrophobicContact CB-CD2 4.02Å; Q851-F877 HydrophobicContact CB-CE2 4.46Å; Q851-K913 PolarHBondContact N-O 2.92Å
852S91Very high88.8Confident52 Ų5236 Ų3636%0.36421%0.207SC..THydrogen-bonded Turntrans-56.4123.4169.9-71.50000110.8C850 V875C850-S852 PolarHBondContact O-N 3.47Å; S852-V875 PolarHBondContact N-O 3.23Å; S852-V875 PolarHBondContact OG-O 2.65Å
853G88.7Confident89.3Confident68 Ų6840 Ų4070%0.70122%0.222SC*.THydrogen-bonded Turntrans121.8-14.6-176.800000114.5Q851Q851-G853 PolarHBondContact O-N 2.66Å
854F91.3Very high90Very high28 Ų2839 Ų3912%0.12322%0.216CC..  trans-80.2129171.5-77.8-99.9000111.2Q851 I856 K913 T1057 L1060Q851-F854 HydrophobicContact CB-CD2 4.07Å; Q851-F854 HydrophobicContact CB-CE2 4.16Å; Q851-F854 HydrophobicContact CG-CD2 4.45Å; Q851-F854 HydrophobicContact CG-CE2 4.39Å; Q851-F854 WeakPolarHBondContact O-CD2 3.37Å; Q851-F854 PolarHBondContact O-N 3.14Å; F854-I856 HydrophobicContact CB-CD1 4.01Å; F854-I856 PolarHBondContact O-N 2.93Å; F854-I856 VanDerWaalsContact O-N 3.09Å; F854-K913 HydrophobicContact CE2-CD 4.45Å; F854-K913 HydrophobicContact CZ-CD 3.93Å; F854-T1057 HydrophobicContact CD1-CG2 3.67Å; F854-T1057 HydrophobicContact CE1-CG2 3.72Å; F854-T1057 HydrophobicContact CG-CG2 4.26Å; F854-T1057 HydrophobicContact CZ-CG2 4.37Å; F854-L1060 HydrophobicContact CD1-CB 3.94Å; F854-L1060 HydrophobicContact CD1-CD1 3.9Å; F854-L1060 HydrophobicContact CD1-CD2 4.37Å; F854-L1060 HydrophobicContact CD1-CG 4.29Å; F854-L1060 HydrophobicContact CE1-CB 3.74Å; F854-L1060 HydrophobicContact CE1-CD1 3.99Å; F854-L1060 HydrophobicContact CE1-CG 4.41Å; F854-L1060 HydrophobicContact CG-CD1 4.33Å; F854-L1060 HydrophobicContact CZ-CD1 4.45Å
855E92.4Very high90.5Very high109 Ų10944 Ų4451%0.50924%0.237SC..  trans-76.292.5174.1-82.5-167.9-12600110.2S1055 K1056 T1057E855-S1055 VanDerWaalsContact C-OG 3.29Å; E855-S1055 CarbonylContact O-C 3.46Å; E855-S1055 WeakPolarHBondContact O-CA 3.44Å; E855-S1055 WeakPolarHBondContact O-CB 3.22Å; E855-S1055 PolarHBondContact O-OG 3.16Å; E855-K1056 HydrophobicContact CB-CB 4.19Å; E855-K1056 HydrophobicContact CB-CG 4.49Å; E855-K1056 PolarHBondContact O-N 3.21Å; E855-K1056 WeakPolarHBondContact OE2-CD 3.45Å; E855-K1056 WeakPolarHBondContact OE2-CE 3.35Å; E855-K1056 IonicContact OE2-NZ 2.69Å; E855-K1056 PolarHBondContact OE2-NZ 3.21Å; E855-T1057 PolarHBondContact N-OG1 2.7Å
856I93.7Very high90.9Very high41 Ų4151.4 Ų51.421%0.2127%0.269CS..BIsolated β-bridgetrans-73.4137.2177.4-52.5-49.1000110.5F854 F860 T861 M872 L874 M1054F854-I856 HydrophobicContact CB-CD1 4.01Å; F854-I856 PolarHBondContact O-N 2.93Å; F854-I856 VanDerWaalsContact O-N 3.09Å; I856-F860 HydrophobicContact CG2-CD1 4.35Å; I856-T861 HydrophobicContact CG2-CG2 3.84Å; I856-M872 HydrophobicContact CD1-CE 3.49Å; I856-M872 VanDerWaalsContact CD1-CE 3.49Å; I856-M872 HydrophobicContact CD1-SD 4.14Å; I856-M872 HydrophobicContact CG1-CE 4.06Å; I856-M872 HydrophobicContact CG1-SD 4.17Å; I856-M872 HydrophobicContact CG2-CE 4.46Å; I856-M872 HydrophobicContact CG2-SD 3.64Å; I856-L874 HydrophobicContact CG1-CD2 4.05Å; I856-M1054 WeakPolarHBondContact CA-O 3.34Å
857L93.8Very high90.6Very high36 Ų3653.2 Ų53.219%0.18828%0.277CS..  trans-74130179-70.8177.1000111.5S859 F860 T861 S1052 M1054 K1056L857-S859 VanDerWaalsContact C-N 3.28Å; L857-S859 PolarHBondContact O-N 3.37Å; L857-F860 HydrophobicContact CB-CB 4.15Å; L857-F860 WeakPolarHBondContact O-CB 3.22Å; L857-F860 PolarHBondContact O-N 3.5Å; L857-T861 PolarHBondContact O-N 2.83Å; L857-S1052 VanDerWaalsContact CD1-O 3.27Å; L857-S1052 WeakPolarHBondContact CD1-O 3.33Å; L857-M1054 PolarHBondContact N-O 2.91Å; L857-K1056 HydrophobicContact CD2-CD 4.44Å; L857-K1056 HydrophobicContact CD2-CG 3.67Å; L857-K1056 HydrophobicContact CG-CG 4.47Å
858K91.9Very high90.1Very high123 Ų12352.4 Ų52.454%0.53528%0.275SS..Hα-helixtrans-63-35.8175.2-173.145.5171.6153.80111.8F860 T861 D862K858-F860 PolarHBondContact O-N 3.02Å; K858-T861 PolarHBondContact O-N 3.07Å; K858-T861 PolarHBondContact O-OG1 3.4Å; K858-D862 WeakPolarHBondContact CD-OD1 3.27Å; K858-D862 WeakPolarHBondContact CE-OD1 3.37Å; K858-D862 IonicContact NZ-OD1 3.73Å; K858-D862 PolarHBondContact NZ-OD1 2.83Å; K858-D862 VanDerWaalsContact O-CB 3.31Å; K858-D862 WeakPolarHBondContact O-CB 3.48Å; K858-D862 PolarHBondContact O-N 2.94Å
859S91.6Very high89.3Confident64 Ų6459.7 Ų59.745%0.44831%0.306SS..Hα-helixtrans-62.6-17.5170.453.70000114.6L857 R863L857-S859 VanDerWaalsContact C-N 3.28Å; L857-S859 PolarHBondContact O-N 3.37Å; S859-R863 VanDerWaalsContact O-CG 3.3Å; S859-R863 WeakPolarHBondContact O-CG 3.31Å; S859-R863 PolarHBondContact O-NE 3.2Å
860F93Very high88.6Confident0 Ų060 Ų600%031%0.31CS..Hα-helixtrans-84-50.5170.4-179.2-108.9000111.1M795 L848 I856 L857 K858 D862 R863 L864 M872 E1053 M1054M795-F860 HydrophobicContact CB-CE2 4.3Å; L848-F860 HydrophobicContact CD1-CE1 3.91Å; L848-F860 HydrophobicContact CD1-CZ 3.79Å; I856-F860 HydrophobicContact CG2-CD1 4.35Å; L857-F860 HydrophobicContact CB-CB 4.15Å; L857-F860 WeakPolarHBondContact O-CB 3.22Å; L857-F860 PolarHBondContact O-N 3.5Å; K858-F860 PolarHBondContact O-N 3.02Å; F860-D862 PolarHBondContact O-N 2.9Å; F860-R863 PolarHBondContact O-N 3.46Å; F860-R863 VanDerWaalsContact O-N 3.09Å; F860-L864 HydrophobicContact CD1-CD1 4.04Å; F860-L864 HydrophobicContact CD1-CG 4.39Å; F860-L864 HydrophobicContact CE1-CD1 3.39Å; F860-L864 HydrophobicContact CE1-CD2 4.43Å; F860-L864 HydrophobicContact CE1-CG 3.92Å; F860-L864 HydrophobicContact CE2-CD2 4.3Å; F860-L864 HydrophobicContact CE2-CG 4.33Å; F860-L864 HydrophobicContact CZ-CD1 3.72Å; F860-L864 HydrophobicContact CZ-CD2 3.92Å; F860-L864 HydrophobicContact CZ-CG 3.88Å; F860-L864 PolarHBondContact O-N 3.41Å; F860-M872 HydrophobicContact CD1-SD 3.97Å; F860-M872 HydrophobicContact CE1-SD 3.67Å; F860-E1053 WeakPolarHBondContact CB-O 3.35Å; F860-M1054 HydrophobicContact CD1-CB 4.4Å; F860-M1054 HydrophobicContact CD1-CG 3.75Å; F860-M1054 HydrophobicContact CE1-CB 4.48Å; F860-M1054 HydrophobicContact CE1-CE 4.13Å; F860-M1054 HydrophobicContact CE1-CG 3.62Å; F860-M1054 HydrophobicContact CE1-SD 4.32Å; F860-M1054 HydrophobicContact CE2-CE 4.4Å; F860-M1054 HydrophobicContact CG-CB 4.45Å; F860-M1054 HydrophobicContact CG-CG 4.28Å; F860-M1054 HydrophobicContact CZ-CE 3.77Å; F860-M1054 HydrophobicContact CZ-CG 4.07Å
861T91.4Very high88Confident32 Ų3263.6 Ų63.620%0.19633%0.329CS..Hα-helixtrans-66.1-36.1-179.349.50000112.8I856 L857 K858 R863 L864 E865 M872I856-T861 HydrophobicContact CG2-CG2 3.84Å; L857-T861 PolarHBondContact O-N 2.83Å; K858-T861 PolarHBondContact O-N 3.07Å; K858-T861 PolarHBondContact O-OG1 3.4Å; T861-R863 VanDerWaalsContact C-N 3.27Å; T861-R863 PolarHBondContact O-N 2.9Å; T861-L864 PolarHBondContact O-N 3.28Å; T861-E865 WeakPolarHBondContact O-CB 3.45Å; T861-E865 PolarHBondContact O-N 2.89Å; T861-M872 HydrophobicContact CG2-CB 4.23Å
862D90.1Very high87.7Confident72 Ų7263 Ų6339%0.38533%0.326SS..Hα-helixtrans-59.8-35.7171.6-69.7-25.8000112.4K858 F860 K866K858-D862 WeakPolarHBondContact CD-OD1 3.27Å; K858-D862 WeakPolarHBondContact CE-OD1 3.37Å; K858-D862 IonicContact NZ-OD1 3.73Å; K858-D862 PolarHBondContact NZ-OD1 2.83Å; K858-D862 VanDerWaalsContact O-CB 3.31Å; K858-D862 WeakPolarHBondContact O-CB 3.48Å; K858-D862 PolarHBondContact O-N 2.94Å; F860-D862 PolarHBondContact O-N 2.9Å; D862-K866 WeakPolarHBondContact O-CB 3.48Å; D862-K866 PolarHBondContact O-N 3.37Å
863R88.1Confident87.7Confident87 Ų8761.2 Ų61.233%0.32831%0.314SS..Hα-helixtrans-74.5-39.7176.2-73-176.6-70.5170.2-0.1111.7M795 S859 F860 T861 L867 E1053M795-R863 HydrophobicContact CE-CB 3.61Å; M795-R863 PolarHBondContact O-NH2 3.08Å; S859-R863 VanDerWaalsContact O-CG 3.3Å; S859-R863 WeakPolarHBondContact O-CG 3.31Å; S859-R863 PolarHBondContact O-NE 3.2Å; F860-R863 PolarHBondContact O-N 3.46Å; F860-R863 VanDerWaalsContact O-N 3.09Å; T861-R863 VanDerWaalsContact C-N 3.27Å; T861-R863 PolarHBondContact O-N 2.9Å; R863-L867 VanDerWaalsContact O-CB 3.28Å; R863-L867 WeakPolarHBondContact O-CB 3.44Å; R863-L867 WeakPolarHBondContact O-CG 3.39Å; R863-L867 PolarHBondContact O-N 2.77Å; R863-E1053 IonicContact NH2-OE2 2.7Å
864L88.5Confident87.8Confident0 Ų062.2 Ų62.20%030%0.304CS..Hα-helixtrans-62.3-45.8174.7-70.3-176.2000112.3M792 L848 F860 T861 F868 K869 S870 M872M792-L864 HydrophobicContact CB-CD2 3.93Å; M792-L864 HydrophobicContact CG-CD2 4.01Å; L848-L864 HydrophobicContact CD1-CD1 4.05Å; F860-L864 HydrophobicContact CD1-CD1 4.04Å; F860-L864 HydrophobicContact CD1-CG 4.39Å; F860-L864 HydrophobicContact CE1-CD1 3.39Å; F860-L864 HydrophobicContact CE1-CD2 4.43Å; F860-L864 HydrophobicContact CE1-CG 3.92Å; F860-L864 HydrophobicContact CE2-CD2 4.3Å; F860-L864 HydrophobicContact CE2-CG 4.33Å; F860-L864 HydrophobicContact CZ-CD1 3.72Å; F860-L864 HydrophobicContact CZ-CD2 3.92Å; F860-L864 HydrophobicContact CZ-CG 3.88Å; F860-L864 PolarHBondContact O-N 3.41Å; T861-L864 PolarHBondContact O-N 3.28Å; L864-F868 HydrophobicContact CD2-CD2 3.81Å; L864-F868 HydrophobicContact CD2-CE2 4.11Å; L864-F868 PolarHBondContact O-N 2.84Å; L864-K869 PolarHBondContact O-N 3.05Å; L864-S870 CarbonylContact C-O 3.42Å; L864-S870 WeakPolarHBondContact CB-O 3.46Å; L864-S870 PolarHBondContact O-N 2.84Å; L864-M872 HydrophobicContact CD1-CB 4.14Å
865E86Confident87.9Confident122 Ų12261.8 Ų61.857%0.5730%0.303SS*.Hα-helixtrans-67.6-45.1-179.9-175.4178.7-179.100111T861 S870T861-E865 WeakPolarHBondContact O-CB 3.45Å; T861-E865 PolarHBondContact O-N 2.89Å; E865-S870 PolarHBondContact N-O 3.48Å
866K83.2Confident87.9Confident157 Ų15760.3 Ų60.368%0.68330%0.299SS*.Hα-helixtrans-62-49.5178.1-179.5-179.7176.7-1750112D862 K869D862-K866 WeakPolarHBondContact O-CB 3.48Å; D862-K866 PolarHBondContact O-N 3.37Å; K866-K869 PolarHBondContact O-NZ 3.18Å
867L80.4Confident88Confident50 Ų5058.3 Ų58.326%0.26229%0.289SS..THydrogen-bonded Turntrans-83.2-82.6-175-65.4175.5000110M795 I827 R863 K869M795-L867 HydrophobicContact CE-CD1 3.94Å; M795-L867 HydrophobicContact SD-CD1 3.85Å; I827-L867 HydrophobicContact CD1-CB 3.62Å; I827-L867 WeakPolarHBondContact CG2-O 3.27Å; R863-L867 VanDerWaalsContact O-CB 3.28Å; R863-L867 WeakPolarHBondContact O-CB 3.44Å; R863-L867 WeakPolarHBondContact O-CG 3.39Å; R863-L867 PolarHBondContact O-N 2.77Å; L867-K869 PolarHBondContact O-N 2.93Å; L867-K869 VanDerWaalsContact O-N 3.08Å
868F80.6Confident87.8Confident21 Ų2159.8 Ų59.89%0.09231%0.306CS..THydrogen-bonded Turntrans-71.6-3.1-168.9-55.7-82.3000116.2N788 C791 M792 M795 I823 I827 L864 S870N788-F868 VanDerWaalsContact OD1-CD1 3.22Å; N788-F868 WeakPolarHBondContact OD1-CD1 3.32Å; N788-F868 WeakPolarHBondContact OD1-CE1 3.05Å; C791-F868 HydrophobicContact CB-CE1 4.02Å; C791-F868 HydrophobicContact CB-CZ 3.81Å; M792-F868 HydrophobicContact CB-CE2 4.34Å; M792-F868 HydrophobicContact CE-CB 3.64Å; M792-F868 HydrophobicContact CE-CD1 3.94Å; M792-F868 HydrophobicContact CE-CD2 4.45Å; M792-F868 HydrophobicContact CE-CG 3.78Å; M792-F868 HydrophobicContact CG-CD1 4.07Å; M792-F868 HydrophobicContact CG-CD2 3.73Å; M792-F868 HydrophobicContact CG-CE1 4.09Å; M792-F868 HydrophobicContact CG-CE2 3.75Å; M792-F868 HydrophobicContact CG-CG 3.89Å; M792-F868 HydrophobicContact CG-CZ 3.95Å; M795-F868 HydrophobicContact CE-CE2 3.85Å; M795-F868 HydrophobicContact SD-CE2 3.6Å; M795-F868 VanDerWaalsContact SD-CE2 3.6Å; M795-F868 HydrophobicContact SD-CZ 4.04Å; I823-F868 HydrophobicContact CG2-CE1 3.98Å; I823-F868 HydrophobicContact CG2-CE2 4.5Å; I823-F868 HydrophobicContact CG2-CZ 3.73Å; I827-F868 HydrophobicContact CD1-CD1 3.69Å; I827-F868 HydrophobicContact CD1-CE1 3.94Å; I827-F868 HydrophobicContact CD1-CG 4.07Å; I827-F868 HydrophobicContact CG1-CD1 3.61Å; I827-F868 HydrophobicContact CG1-CE1 4.03Å; I827-F868 HydrophobicContact CG1-CG 4.3Å; L864-F868 HydrophobicContact CD2-CD2 3.81Å; L864-F868 HydrophobicContact CD2-CE2 4.11Å; L864-F868 PolarHBondContact O-N 2.84Å; F868-S870 PolarHBondContact O-N 3.44Å; F868-S870 VanDerWaalsContact O-N 3.16Å
869K76.6Confident87.9Confident153 Ų15357.5 Ų57.567%0.66530%0.3SS*.SBendtrans5429.7-170.5-45.8-51.2179.4-161.90112.9L864 K866 L867L864-K869 PolarHBondContact O-N 3.05Å; K866-K869 PolarHBondContact O-NZ 3.18Å; L867-K869 PolarHBondContact O-N 2.93Å; L867-K869 VanDerWaalsContact O-N 3.08Å
870S79.1Confident87.9Confident14 Ų1456.1 Ų56.110%0.09829%0.29CS..  trans-118.5153.4-179.1-177.90000110S846 L864 E865 F868S846-S870 PolarHBondContact O-OG 2.73Å; L864-S870 CarbonylContact C-O 3.42Å; L864-S870 WeakPolarHBondContact CB-O 3.46Å; L864-S870 PolarHBondContact O-N 2.84Å; E865-S870 PolarHBondContact N-O 3.48Å; F868-S870 PolarHBondContact O-N 3.44Å; F868-S870 VanDerWaalsContact O-N 3.16Å
871D81.4Confident88Confident75 Ų7560 Ų6040%0.40131%0.308SS..  trans-109.9-174.1171.372.7-28.5000111.5R847R847-D871 IonicContact CZ-OD1 3.64Å; R847-D871 VanDerWaalsContact CZ-OD1 3.28Å; R847-D871 IonicContact CZ-OD2 2.88Å; R847-D871 IonicContact NE-OD1 3.96Å; R847-D871 PolarHBondContact NE-OD1 3.01Å; R847-D871 IonicContact NE-OD2 3.64Å; R847-D871 VanDerWaalsContact NH2-CG 3.31Å; R847-D871 IonicContact NH2-OD1 3.08Å; R847-D871 PolarHBondContact NH2-OD1 3.27Å; R847-D871 VanDerWaalsContact NH2-OD1 3.09Å; R847-D871 IonicContact NH2-OD2 3.31Å; R847-D871 PolarHBondContact NH2-OD2 3.38Å
872M88Confident88.1Confident19 Ų1964 Ų649%0.09432%0.322CS..EExtended strand (participates in β ladder)trans-128.1115.4176179.1174.3-176.600108.4L848 C850 I856 F860 T861 L864 L914 M1054L848-M872 HydrophobicContact CB-CB 4.39Å; L848-M872 HydrophobicContact CB-CG 4.01Å; L848-M872 WeakPolarHBondContact O-CA 3.39Å; C850-M872 HydrophobicContact CB-CE 3.4Å; I856-M872 HydrophobicContact CD1-CE 3.49Å; I856-M872 VanDerWaalsContact CD1-CE 3.49Å; I856-M872 HydrophobicContact CD1-SD 4.14Å; I856-M872 HydrophobicContact CG1-CE 4.06Å; I856-M872 HydrophobicContact CG1-SD 4.17Å; I856-M872 HydrophobicContact CG2-CE 4.46Å; I856-M872 HydrophobicContact CG2-SD 3.64Å; F860-M872 HydrophobicContact CD1-SD 3.97Å; F860-M872 HydrophobicContact CE1-SD 3.67Å; T861-M872 HydrophobicContact CG2-CB 4.23Å; L864-M872 HydrophobicContact CD1-CB 4.14Å; M872-L914 HydrophobicContact CE-CD1 4.24Å; M872-M1054 HydrophobicContact CE-CG 3.9Å; M872-M1054 HydrophobicContact CE-SD 3.61Å; M872-M1054 HydrophobicContact SD-CG 4.1Å; M872-M1054 HydrophobicContact SD-SD 4.3Å
873A91.2Very high88.3Confident14 Ų1460.8 Ų60.812%0.11631%0.306CS..EExtended strand (participates in β ladder)trans-87.1137.2-17600000111.4L848 Y849 C850L848-A873 PolarHBondContact O-N 2.98Å; Y849-A873 WeakPolarHBondContact CA-O 3.38Å; Y849-A873 HydrophobicContact CD1-CB 3.57Å; Y849-A873 HydrophobicContact CE1-CB 3.7Å; Y849-A873 HydrophobicContact CG-CB 4.36Å; C850-A873 PolarHBondContact N-O 2.98Å
874L92.1Very high88.6Confident90 Ų9058.6 Ų58.647%0.47130%0.297SS..EExtended strand (participates in β ladder)trans-95.2124.3167.4-67.8177.8000109.8C850 I856C850-L874 HydrophobicContact CB-CD2 4.04Å; C850-L874 WeakPolarHBondContact O-CA 3.22Å; I856-L874 HydrophobicContact CG1-CD2 4.05Å
875V92.6Very high88.8Confident19 Ų1961.8 Ų61.812%0.11532%0.319CS..EExtended strand (participates in β ladder)trans-132.8154.9-178.1-68.60000110.2Y849 C850 Q851 S852 F877Y849-V875 HydrophobicContact CD1-CG1 3.84Å; Y849-V875 HydrophobicContact CD1-CG2 4.35Å; Y849-V875 HydrophobicContact CE1-CG1 4.38Å; C850-V875 PolarHBondContact O-N 3.07Å; Q851-V875 CarbonylContact C-O 3.49Å; Q851-V875 WeakPolarHBondContact CA-O 3.33Å; Q851-V875 PolarHBondContact OE1-O 2.61Å; S852-V875 PolarHBondContact N-O 3.23Å; S852-V875 PolarHBondContact OG-O 2.65Å; V875-F877 HydrophobicContact CG2-CD1 4.06Å; V875-F877 HydrophobicContact CG2-CD2 4.13Å; V875-F877 HydrophobicContact CG2-CE1 3.55Å; V875-F877 HydrophobicContact CG2-CE2 3.65Å; V875-F877 HydrophobicContact CG2-CG 4.33Å; V875-F877 HydrophobicContact CG2-CZ 3.33Å
876N93.6Very high89.1Confident77 Ų7759.9 Ų59.941%0.41231%0.313SS..  trans-101.689.1179-177.343.3000110.7Q851 A878 D879 S883Q851-N876 PolarHBondContact NE2-OD1 3.15Å; Q851-N876 VanDerWaalsContact NE2-OD1 3.08Å; N876-A878 PolarHBondContact O-N 2.65Å; N876-A878 VanDerWaalsContact O-N 3.12Å; N876-D879 CarbonylContact O-C 3.58Å; N876-D879 WeakPolarHBondContact O-CA 3.27Å; N876-D879 PolarHBondContact O-N 3.45Å; N876-S883 PolarHBondContact O-OG 2.9Å
877F94.4Very high89.6Confident0 Ų052.4 Ų52.40%028%0.281CS..THydrogen-bonded Turntrans-64.9-13.6-178.6-62.7-67000114.4Q851 V875 D879 S880 I887 L908 N909 T912 V915Q851-F877 HydrophobicContact CB-CD2 4.02Å; Q851-F877 HydrophobicContact CB-CE2 4.46Å; V875-F877 HydrophobicContact CG2-CD1 4.06Å; V875-F877 HydrophobicContact CG2-CD2 4.13Å; V875-F877 HydrophobicContact CG2-CE1 3.55Å; V875-F877 HydrophobicContact CG2-CE2 3.65Å; V875-F877 HydrophobicContact CG2-CG 4.33Å; V875-F877 HydrophobicContact CG2-CZ 3.33Å; F877-D879 PolarHBondContact O-N 2.95Å; F877-S880 VanDerWaalsContact O-CA 3.25Å; F877-S880 WeakPolarHBondContact O-CA 3.34Å; F877-S880 VanDerWaalsContact O-CB 3.27Å; F877-S880 WeakPolarHBondContact O-CB 3.36Å; F877-S880 PolarHBondContact O-N 2.81Å; F877-I887 HydrophobicContact CE1-CD1 4.13Å; F877-L908 HydrophobicContact CD1-CD1 4.12Å; F877-L908 HydrophobicContact CE1-CD1 4.12Å; F877-L908 HydrophobicContact CE1-CD2 4.36Å; F877-N909 WeakPolarHBondContact CB-O 3.36Å; F877-N909 CarbonylContact O-C 3.56Å; F877-T912 HydrophobicContact CB-CG2 4.33Å; F877-T912 HydrophobicContact CD1-CG2 3.85Å; F877-T912 HydrophobicContact CD2-CG2 3.73Å; F877-T912 VanDerWaalsContact CD2-O 3.26Å; F877-T912 WeakPolarHBondContact CD2-O 3.36Å; F877-T912 HydrophobicContact CE1-CG2 3.97Å; F877-T912 HydrophobicContact CE2-CG2 3.84Å; F877-T912 HydrophobicContact CG-CG2 3.73Å; F877-T912 HydrophobicContact CZ-CG2 3.96Å; F877-V915 HydrophobicContact CE1-CG2 3.75Å; F877-V915 HydrophobicContact CE2-CG2 4.32Å; F877-V915 HydrophobicContact CZ-CB 4.13Å; F877-V915 HydrophobicContact CZ-CG2 3.51Å
878A90.6Very high90.2Very high67 Ų6750.5 Ų50.555%0.55427%0.271SS*.THydrogen-bonded Turntrans-63.8-22.5165.800000112.8N876 D910N876-A878 PolarHBondContact O-N 2.65Å; N876-A878 VanDerWaalsContact O-N 3.12Å; A878-D910 HydrophobicContact CB-CB 4.4Å
879D93.8Very high90.8Very high75 Ų7552.6 Ų52.640%0.40129%0.288SS..SBendtrans-100.572.9160.7-172.7-0.8000108N876 F877 K882 S883N876-D879 CarbonylContact O-C 3.58Å; N876-D879 WeakPolarHBondContact O-CA 3.27Å; N876-D879 PolarHBondContact O-N 3.45Å; F877-D879 PolarHBondContact O-N 2.95Å; D879-K882 HydrophobicContact CB-CB 4.38Å; D879-K882 WeakPolarHBondContact OD1-CB 3.46Å; D879-K882 VanDerWaalsContact OD2-CB 3.31Å; D879-K882 WeakPolarHBondContact OD2-CB 3.5Å; D879-K882 VanDerWaalsContact OD2-CD 3.25Å; D879-K882 WeakPolarHBondContact OD2-CD 3.21Å; D879-S883 WeakPolarHBondContact O-CB 3.34Å; D879-S883 PolarHBondContact O-N 2.82Å; D879-S883 PolarHBondContact O-OG 2.98Å
880S92.2Very high91.5Very high34 Ų3447.6 Ų47.624%0.23827%0.265CS..Hα-helixtrans-69.1-40.6-165.459.40000113.3F877 S883 R884 L908F877-S880 VanDerWaalsContact O-CA 3.25Å; F877-S880 WeakPolarHBondContact O-CA 3.34Å; F877-S880 VanDerWaalsContact O-CB 3.27Å; F877-S880 WeakPolarHBondContact O-CB 3.36Å; F877-S880 PolarHBondContact O-N 2.81Å; S880-S883 PolarHBondContact O-N 3.02Å; S880-R884 VanDerWaalsContact O-CB 3.29Å; S880-R884 WeakPolarHBondContact O-CB 3.39Å; S880-R884 PolarHBondContact O-N 3.17Å; S880-L908 WeakPolarHBondContact CB-O 3.5Å
881E93.5Very high91.9Very high81 Ų8147 Ų4738%0.37926%0.261SS..Hα-helixtrans-71.7-35.6179.1-81.7-62.6123.400112.4R884 S885E881-R884 VanDerWaalsContact CD-NE 3.25Å; E881-R884 WeakPolarHBondContact O-CB 3.49Å; E881-R884 PolarHBondContact O-N 2.65Å; E881-R884 WeakPolarHBondContact OE1-CD 3.48Å; E881-R884 IonicContact OE1-CZ 3.33Å; E881-R884 IonicContact OE1-NE 3.68Å; E881-R884 PolarHBondContact OE1-NE 2.93Å; E881-R884 IonicContact OE2-CZ 3.86Å; E881-R884 IonicContact OE2-NE 3.99Å; E881-R884 PolarHBondContact OE2-NE 2.59Å; E881-R884 IonicContact OE2-NH2 3.38Å; E881-R884 PolarHBondContact OE2-NH2 2.79Å; E881-S885 WeakPolarHBondContact O-CB 3.26Å; E881-S885 PolarHBondContact O-N 2.87Å
882K93.9Very high92.3Very high116 Ų11644.8 Ų44.850%0.50425%0.251SS..Hα-helixtrans-64.5-49169.3-173.5-172.5172.6-173.80110.9D879 R884 S885 D886D879-K882 HydrophobicContact CB-CB 4.38Å; D879-K882 WeakPolarHBondContact OD1-CB 3.46Å; D879-K882 VanDerWaalsContact OD2-CB 3.31Å; D879-K882 WeakPolarHBondContact OD2-CB 3.5Å; D879-K882 VanDerWaalsContact OD2-CD 3.25Å; D879-K882 WeakPolarHBondContact OD2-CD 3.21Å; K882-R884 PolarHBondContact O-N 2.7Å; K882-S885 WeakPolarHBondContact O-CA 3.18Å; K882-S885 WeakPolarHBondContact O-CB 3.16Å; K882-S885 PolarHBondContact O-N 2.84Å; K882-D886 WeakPolarHBondContact CE-OD2 3.3Å; K882-D886 PolarHBondContact O-N 2.92Å
883S94Very high92.2Very high5 Ų548.9 Ų48.94%0.03527%0.274CS..Hα-helixtrans-56.9-39.8177.5-60.70000111.6N876 D879 S880 I887N876-S883 PolarHBondContact O-OG 2.9Å; D879-S883 WeakPolarHBondContact O-CB 3.34Å; D879-S883 PolarHBondContact O-N 2.82Å; D879-S883 PolarHBondContact O-OG 2.98Å; S880-S883 PolarHBondContact O-N 3.02Å; S883-I887 WeakPolarHBondContact O-CB 3.45Å; S883-I887 VanDerWaalsContact O-CD1 3.31Å; S883-I887 WeakPolarHBondContact O-CD1 3.17Å; S883-I887 WeakPolarHBondContact O-CG1 3.17Å; S883-I887 PolarHBondContact O-N 2.94Å
884R94.1Very high91.8Very high42 Ų4252.2 Ų52.216%0.15829%0.287CS..Hα-helixtrans-61.4-44.8173.7-169.6-174.267.168.88.3112S880 E881 K882 N888 I903 Q904 L908S880-R884 VanDerWaalsContact O-CB 3.29Å; S880-R884 WeakPolarHBondContact O-CB 3.39Å; S880-R884 PolarHBondContact O-N 3.17Å; E881-R884 VanDerWaalsContact CD-NE 3.25Å; E881-R884 WeakPolarHBondContact O-CB 3.49Å; E881-R884 PolarHBondContact O-N 2.65Å; E881-R884 WeakPolarHBondContact OE1-CD 3.48Å; E881-R884 IonicContact OE1-CZ 3.33Å; E881-R884 IonicContact OE1-NE 3.68Å; E881-R884 PolarHBondContact OE1-NE 2.93Å; E881-R884 IonicContact OE2-CZ 3.86Å; E881-R884 IonicContact OE2-NE 3.99Å; E881-R884 PolarHBondContact OE2-NE 2.59Å; E881-R884 IonicContact OE2-NH2 3.38Å; E881-R884 PolarHBondContact OE2-NH2 2.79Å; K882-R884 PolarHBondContact O-N 2.7Å; R884-N888 PolarHBondContact NH1-ND2 3.42Å; R884-N888 WeakPolarHBondContact O-CB 3.41Å; R884-N888 PolarHBondContact O-N 3.11Å; R884-N888 PolarHBondContact O-ND2 2.83Å; R884-I903 WeakPolarHBondContact CD-O 3.42Å; R884-I903 HydrophobicContact CG-CB 3.84Å; R884-I903 HydrophobicContact CG-CG2 3.73Å; R884-I903 WeakPolarHBondContact CG-O 3.42Å; R884-I903 PolarHBondContact NH1-O 3.22Å; R884-Q904 WeakPolarHBondContact CD-O 3.45Å; R884-L908 HydrophobicContact CB-CD1 4.02Å
885S92.9Very high91.1Very high66 Ų6648 Ų4846%0.46226%0.264SS..Hα-helixtrans-65.4-47.8178-167.50000112.1E881 K882 I887 N888 S889E881-S885 WeakPolarHBondContact O-CB 3.26Å; E881-S885 PolarHBondContact O-N 2.87Å; K882-S885 WeakPolarHBondContact O-CA 3.18Å; K882-S885 WeakPolarHBondContact O-CB 3.16Å; K882-S885 PolarHBondContact O-N 2.84Å; S885-I887 VanDerWaalsContact C-N 3.34Å; S885-I887 PolarHBondContact O-N 3.2Å; S885-N888 PolarHBondContact O-N 2.64Å; S885-S889 PolarHBondContact O-N 3.41Å
886D93.2Very high90.5Very high82 Ų8252.4 Ų52.444%0.43929%0.288SS..Hα-helixtrans-62.9-39.9-178.8-67.8-11.6000111.2K882 W890K882-D886 WeakPolarHBondContact CE-OD2 3.3Å; K882-D886 PolarHBondContact O-N 2.92Å; D886-W890 PolarHBondContact O-N 3.03Å
887I93.7Very high90.1Very high0 Ų051 Ų510%029%0.292CS..Hα-helixtrans-68.8-46.3175.5-64.1163.5000111.5Y849 F877 S883 S885 S889 W890 V891 I903 L908 V917Y849-I887 HydrophobicContact CD1-CD1 4.06Å; Y849-I887 HydrophobicContact CD1-CG1 3.69Å; Y849-I887 HydrophobicContact CD2-CD1 4.45Å; Y849-I887 HydrophobicContact CD2-CG1 4.27Å; Y849-I887 HydrophobicContact CD2-CG2 4.43Å; Y849-I887 HydrophobicContact CE1-CD1 4.43Å; Y849-I887 HydrophobicContact CE1-CG1 3.57Å; Y849-I887 HydrophobicContact CE2-CG1 4.16Å; Y849-I887 HydrophobicContact CE2-CG2 3.95Å; Y849-I887 HydrophobicContact CG-CD1 4.05Å; Y849-I887 HydrophobicContact CG-CG1 4.03Å; F877-I887 HydrophobicContact CE1-CD1 4.13Å; S883-I887 WeakPolarHBondContact O-CB 3.45Å; S883-I887 VanDerWaalsContact O-CD1 3.31Å; S883-I887 WeakPolarHBondContact O-CD1 3.17Å; S883-I887 WeakPolarHBondContact O-CG1 3.17Å; S883-I887 PolarHBondContact O-N 2.94Å; S885-I887 VanDerWaalsContact C-N 3.34Å; S885-I887 PolarHBondContact O-N 3.2Å; I887-S889 VanDerWaalsContact C-N 3.34Å; I887-S889 PolarHBondContact O-N 2.97Å; I887-W890 PolarHBondContact O-N 2.7Å; I887-V891 HydrophobicContact CG2-CG2 4.43Å; I887-V891 WeakPolarHBondContact O-CG2 3.39Å; I887-V891 PolarHBondContact O-N 3.32Å; I887-I903 HydrophobicContact CB-CD1 3.98Å; I887-I903 HydrophobicContact CD1-CD1 3.93Å; I887-I903 HydrophobicContact CG2-CD1 3.5Å; I887-I903 HydrophobicContact CG2-CG1 4.21Å; I887-L908 HydrophobicContact CD1-CD1 4.1Å; I887-V917 HydrophobicContact CG2-CG2 3.8Å
888N93.4Very high89.6Confident10 Ų1053.7 Ų53.75%0.05330%0.303CS..Hα-helixtrans-62.4-40178.7-81.7-30.1000112.1R884 S885 W890 V891 S892 L902 I903R884-N888 PolarHBondContact NH1-ND2 3.42Å; R884-N888 WeakPolarHBondContact O-CB 3.41Å; R884-N888 PolarHBondContact O-N 3.11Å; R884-N888 PolarHBondContact O-ND2 2.83Å; S885-N888 PolarHBondContact O-N 2.64Å; N888-W890 PolarHBondContact O-N 3.28Å; N888-V891 PolarHBondContact O-N 3.2Å; N888-S892 WeakPolarHBondContact O-CB 3.42Å; N888-S892 PolarHBondContact O-N 3.36Å; N888-L902 PolarHBondContact OD1-N 2.87Å; N888-I903 PolarHBondContact ND2-O 3.38Å; N888-I903 PolarHBondContact OD1-N 3.22Å
889S92.3Very high89.2Confident65 Ų6550.5 Ų50.546%0.45528%0.277SS..Hα-helixtrans-58.5-49.3174.5-165.90000111.1S885 I887 V891 S892 D893S885-S889 PolarHBondContact O-N 3.41Å; I887-S889 VanDerWaalsContact C-N 3.34Å; I887-S889 PolarHBondContact O-N 2.97Å; S889-V891 VanDerWaalsContact C-N 3.33Å; S889-V891 PolarHBondContact O-N 2.92Å; S889-S892 WeakPolarHBondContact O-CB 3.31Å; S889-S892 PolarHBondContact O-N 2.93Å; S889-S892 VanDerWaalsContact O-N 3.16Å; S889-D893 VanDerWaalsContact O-CG 3.25Å; S889-D893 PolarHBondContact O-N 2.6Å
890W91Very high88.8Confident49 Ų4950.6 Ų50.619%0.18628%0.277CS..Hα-helixtrans-60.3-41.3178.118083.1000112.5A845 R847 Y849 D886 I887 N888 D893 Q894 V917A845-W890 HydrophobicContact CB-CH2 3.97Å; A845-W890 HydrophobicContact CB-CZ3 3.88Å; R847-W890 HydrophobicContact CB-CH2 3.57Å; R847-W890 HydrophobicContact CB-CZ2 4.14Å; R847-W890 HydrophobicContact CB-CZ3 3.82Å; R847-W890 HydrophobicContact CG-CH2 4.3Å; R847-W890 HydrophobicContact CG-CZ2 4.39Å; Y849-W890 HydrophobicContact CE2-CE3 4.39Å; Y849-W890 VanDerWaalsContact OH-CD2 3.3Å; Y849-W890 VanDerWaalsContact OH-CE3 3.27Å; D886-W890 PolarHBondContact O-N 3.03Å; I887-W890 PolarHBondContact O-N 2.7Å; N888-W890 PolarHBondContact O-N 3.28Å; W890-D893 PolarHBondContact O-N 3.23Å; W890-Q894 HydrophobicContact CD2-CG 3.98Å; W890-Q894 HydrophobicContact CE3-CG 4.38Å; W890-Q894 HydrophobicContact CH2-CG 3.97Å; W890-Q894 HydrophobicContact CZ2-CG 3.54Å; W890-Q894 HydrophobicContact CZ3-CG 4.37Å; W890-Q894 WeakPolarHBondContact O-CG 3.3Å; W890-Q894 PolarHBondContact O-N 3.35Å; W890-V917 HydrophobicContact CZ3-CG1 4.02Å
891V88.6Confident88.5Confident0 Ų052.9 Ų52.90%028%0.284CS..Hα-helixtrans-63.7-41.8175.7170.50000111.7I887 N888 S889 Q894 T895 I899 L902 V917 A919I887-V891 HydrophobicContact CG2-CG2 4.43Å; I887-V891 WeakPolarHBondContact O-CG2 3.39Å; I887-V891 PolarHBondContact O-N 3.32Å; N888-V891 PolarHBondContact O-N 3.2Å; S889-V891 VanDerWaalsContact C-N 3.33Å; S889-V891 PolarHBondContact O-N 2.92Å; V891-Q894 PolarHBondContact O-N 3.44Å; V891-T895 WeakPolarHBondContact O-CB 3.33Å; V891-T895 WeakPolarHBondContact O-CG2 2.9Å; V891-T895 PolarHBondContact O-N 3.47Å; V891-T895 PolarHBondContact O-OG1 3.37Å; V891-I899 HydrophobicContact CG1-CB 4.2Å; V891-I899 HydrophobicContact CG1-CG2 3.86Å; V891-L902 HydrophobicContact CG1-CB 4.24Å; V891-L902 HydrophobicContact CG2-CD2 3.96Å; V891-V917 HydrophobicContact CG2-CG1 3.69Å; V891-A919 HydrophobicContact CG1-CB 3.35Å; V891-A919 HydrophobicContact CG2-CB 4.48Å
892S88.6Confident88.2Confident30 Ų3049.6 Ų49.621%0.2127%0.269CS..Hα-helixtrans-60.3-48.8175.3-168.30000111.2N888 S889 Q894 T895 N896 G897 I899N888-S892 WeakPolarHBondContact O-CB 3.42Å; N888-S892 PolarHBondContact O-N 3.36Å; S889-S892 WeakPolarHBondContact O-CB 3.31Å; S889-S892 PolarHBondContact O-N 2.93Å; S889-S892 VanDerWaalsContact O-N 3.16Å; S892-Q894 PolarHBondContact O-N 3.36Å; S892-T895 CarbonylContact O-C 3.41Å; S892-T895 PolarHBondContact O-N 2.96Å; S892-T895 VanDerWaalsContact O-N 3.14Å; S892-T895 PolarHBondContact O-OG1 2.81Å; S892-N896 PolarHBondContact O-N 3.21Å; S892-N896 VanDerWaalsContact O-N 3.14Å; S892-G897 PolarHBondContact O-N 2.93Å; S892-I899 VanDerWaalsContact CA-O 3.3Å; S892-I899 WeakPolarHBondContact CA-O 3.25Å; S892-I899 PolarHBondContact N-O 2.85Å
893D86.5Confident88Confident105 Ų10544 Ų4456%0.56125%0.245SC*.Hα-helixtrans-59.9-45.8178.7-65.3-35.6000111.9S889 W890 T895 N896S889-D893 VanDerWaalsContact O-CG 3.25Å; S889-D893 PolarHBondContact O-N 2.6Å; W890-D893 PolarHBondContact O-N 3.23Å; D893-T895 VanDerWaalsContact C-N 3.27Å; D893-T895 PolarHBondContact O-N 3.36Å; D893-N896 PolarHBondContact O-N 2.69Å
894Q82.3Confident87.6Confident84 Ų8448.3 Ų48.339%0.39326%0.264SS..Hα-helixtrans-70-20178.4-66.1-51.4-77.300114A845 W890 V891 S892A845-Q894 HydrophobicContact CB-CB 3.5Å; A845-Q894 VanDerWaalsContact CB-CB 3.5Å; A845-Q894 HydrophobicContact CB-CG 4.15Å; W890-Q894 HydrophobicContact CD2-CG 3.98Å; W890-Q894 HydrophobicContact CE3-CG 4.38Å; W890-Q894 HydrophobicContact CH2-CG 3.97Å; W890-Q894 HydrophobicContact CZ2-CG 3.54Å; W890-Q894 HydrophobicContact CZ3-CG 4.37Å; W890-Q894 WeakPolarHBondContact O-CG 3.3Å; W890-Q894 PolarHBondContact O-N 3.35Å; V891-Q894 PolarHBondContact O-N 3.44Å; S892-Q894 PolarHBondContact O-N 3.36Å
895T79.1Confident87.4Confident0 Ų050.1 Ų50.10%028%0.282CS..THydrogen-bonded Turntrans-106.815.2-179.461.70000113.2A845 V891 S892 D893 G897 K898 I899 A919A845-T895 HydrophobicContact CB-CG2 4.26Å; V891-T895 WeakPolarHBondContact O-CB 3.33Å; V891-T895 WeakPolarHBondContact O-CG2 2.9Å; V891-T895 PolarHBondContact O-N 3.47Å; V891-T895 PolarHBondContact O-OG1 3.37Å; S892-T895 CarbonylContact O-C 3.41Å; S892-T895 PolarHBondContact O-N 2.96Å; S892-T895 VanDerWaalsContact O-N 3.14Å; S892-T895 PolarHBondContact O-OG1 2.81Å; D893-T895 VanDerWaalsContact C-N 3.27Å; D893-T895 PolarHBondContact O-N 3.36Å; T895-G897 PolarHBondContact O-N 3.16Å; T895-K898 VanDerWaalsContact O-CB 3.26Å; T895-K898 WeakPolarHBondContact O-CB 3.43Å; T895-K898 WeakPolarHBondContact O-CG 3.35Å; T895-K898 PolarHBondContact O-N 3.1Å; T895-I899 HydrophobicContact CG2-CB 4.14Å; T895-I899 HydrophobicContact CG2-CD1 4.22Å; T895-I899 HydrophobicContact CG2-CG1 4.29Å; T895-I899 PolarHBondContact OG1-N 3.48Å; T895-I899 VanDerWaalsContact OG1-N 3.1Å; T895-I899 PolarHBondContact OG1-O 3.14Å; T895-A919 HydrophobicContact CG2-CB 4.3Å
896N79.9Confident87.1Confident113 Ų11350 Ų5060%0.60429%0.291SS*.THydrogen-bonded Turntrans53.936.7-177.2-60.6-31.6000113.3N843 S892 D893 K898N843-N896 PolarHBondContact ND2-ND2 3.11Å; S892-N896 PolarHBondContact O-N 3.21Å; S892-N896 VanDerWaalsContact O-N 3.14Å; D893-N896 PolarHBondContact O-N 2.69Å; N896-K898 VanDerWaalsContact C-N 3.26Å; N896-K898 PolarHBondContact O-N 3.3Å
897G84Confident86.9Confident48 Ų4848.1 Ų48.150%0.49528%0.282SS..THydrogen-bonded Turntrans73.39.5-177.800000115.2S892 T895S892-G897 PolarHBondContact O-N 2.93Å; T895-G897 PolarHBondContact O-N 3.16Å
898K83.6Confident86.8Confident55 Ų5548.4 Ų48.424%0.23928%0.284CS..SBendtrans-81.3-18.8178.5-62.9-78.7-178.6168.20113.2T895 N896 Y921 F1070 E1079T895-K898 VanDerWaalsContact O-CB 3.26Å; T895-K898 WeakPolarHBondContact O-CB 3.43Å; T895-K898 WeakPolarHBondContact O-CG 3.35Å; T895-K898 PolarHBondContact O-N 3.1Å; N896-K898 VanDerWaalsContact C-N 3.26Å; N896-K898 PolarHBondContact O-N 3.3Å; K898-Y921 HydrophobicContact CB-CD2 3.64Å; K898-Y921 HydrophobicContact CB-CE2 3.99Å; K898-Y921 HydrophobicContact CB-CG 4.04Å; K898-Y921 HydrophobicContact CD-CD2 4.17Å; K898-Y921 HydrophobicContact CD-CE2 3.59Å; K898-Y921 WeakPolarHBondContact CE-OH 3.38Å; K898-Y921 HydrophobicContact CG-CD1 4.34Å; K898-Y921 HydrophobicContact CG-CD2 3.66Å; K898-Y921 HydrophobicContact CG-CE1 4.19Å; K898-Y921 HydrophobicContact CG-CE2 3.5Å; K898-Y921 HydrophobicContact CG-CG 4.07Å; K898-F1070 HydrophobicContact CD-CE1 4.37Å; K898-F1070 HydrophobicContact CD-CZ 4.31Å; K898-E1079 IonicContact NZ-OE1 2.65Å; K898-E1079 IonicContact NZ-OE2 2.97Å; K898-E1079 PolarHBondContact NZ-OE2 3.32Å
899I83.1Confident86.7Confident0 Ų051.1 Ų51.10%030%0.299CS..  trans-132.289.7173.4-56.5-177.2000108.1V891 S892 T895 A919 K1068 F1070V891-I899 HydrophobicContact CG1-CB 4.2Å; V891-I899 HydrophobicContact CG1-CG2 3.86Å; S892-I899 VanDerWaalsContact CA-O 3.3Å; S892-I899 WeakPolarHBondContact CA-O 3.25Å; S892-I899 PolarHBondContact N-O 2.85Å; T895-I899 HydrophobicContact CG2-CB 4.14Å; T895-I899 HydrophobicContact CG2-CD1 4.22Å; T895-I899 HydrophobicContact CG2-CG1 4.29Å; T895-I899 PolarHBondContact OG1-N 3.48Å; T895-I899 VanDerWaalsContact OG1-N 3.1Å; T895-I899 PolarHBondContact OG1-O 3.14Å; I899-A919 HydrophobicContact CD1-CB 4.04Å; I899-A919 HydrophobicContact CG2-CB 4.22Å; I899-K1068 HydrophobicContact CD1-CG 4.45Å; I899-K1068 HydrophobicContact CG2-CB 4.28Å; I899-K1068 HydrophobicContact CG2-CD 3.62Å; I899-K1068 HydrophobicContact CG2-CG 4.02Å; I899-F1070 HydrophobicContact CD1-CB 4.38Å; I899-F1070 HydrophobicContact CG1-CB 4.37Å
900D84.8Confident86.6Confident77 Ų7753.5 Ų53.541%0.41231%0.306SS..  trans-79.5-38.8-177.971.2-39000112.9
901Q85.6Confident86.7Confident83 Ų8357.5 Ų57.539%0.38833%0.33SS..  trans-127.695.1-174.4-71.6174.463.600110.6K1068Q901-K1068 WeakPolarHBondContact O-CD 3.49Å; Q901-K1068 PolarHBondContact O-NZ 3.45Å
902L87.3Confident86.9Confident11 Ų1157.8 Ų57.86%0.05833%0.332CS..SBendtrans-84.2-46.2165.817466.5000110.6N888 V891 V917 L1066 K1068N888-L902 PolarHBondContact OD1-N 2.87Å; V891-L902 HydrophobicContact CG1-CB 4.24Å; V891-L902 HydrophobicContact CG2-CD2 3.96Å; L902-V917 HydrophobicContact CD2-CB 4.35Å; L902-V917 HydrophobicContact CD2-CG1 3.68Å; L902-V917 HydrophobicContact CD2-CG2 4.23Å; L902-L1066 HydrophobicContact CD1-CB 4.03Å; L902-L1066 HydrophobicContact CD2-CB 4.3Å; L902-L1066 HydrophobicContact CG-CB 4.13Å; L902-K1068 HydrophobicContact CD1-CB 3.49Å; L902-K1068 VanDerWaalsContact CD1-CB 3.49Å
903I89.2Confident87.2Confident0 Ų058.3 Ų58.30%033%0.33CS..SBendtrans-102.9111.3-172.9-43.5-163.2000110.4R884 I887 N888 V907 L908 L1066R884-I903 WeakPolarHBondContact CD-O 3.42Å; R884-I903 HydrophobicContact CG-CB 3.84Å; R884-I903 HydrophobicContact CG-CG2 3.73Å; R884-I903 WeakPolarHBondContact CG-O 3.42Å; R884-I903 PolarHBondContact NH1-O 3.22Å; I887-I903 HydrophobicContact CB-CD1 3.98Å; I887-I903 HydrophobicContact CD1-CD1 3.93Å; I887-I903 HydrophobicContact CG2-CD1 3.5Å; I887-I903 HydrophobicContact CG2-CG1 4.21Å; N888-I903 PolarHBondContact ND2-O 3.38Å; N888-I903 PolarHBondContact OD1-N 3.22Å; I903-V907 HydrophobicContact CG2-CB 3.93Å; I903-V907 HydrophobicContact CG2-CG1 4.06Å; I903-L908 HydrophobicContact CD1-CD1 4.23Å; I903-L908 HydrophobicContact CG2-CD1 4.15Å; I903-L908 HydrophobicContact CG2-CD2 4.3Å; I903-L908 HydrophobicContact CG2-CG 3.9Å; I903-L1066 HydrophobicContact CB-CD1 4.22Å; I903-L1066 HydrophobicContact CD1-CD1 3.73Å; I903-L1066 HydrophobicContact CG1-CD1 3.6Å; I903-L1066 HydrophobicContact CG2-CD1 3.97Å
904Q87.6Confident87.6Confident94 Ų9453.3 Ų53.344%0.43930%0.304SS..  trans-76.1153.5177.1-66.4-60.6-35.700111.9R884 V907R884-Q904 WeakPolarHBondContact CD-O 3.45Å; Q904-V907 HydrophobicContact CB-CG2 4.08Å; Q904-V907 WeakPolarHBondContact O-CB 3.41Å; Q904-V907 VanDerWaalsContact O-CG2 3.3Å; Q904-V907 WeakPolarHBondContact O-CG2 3.5Å; Q904-V907 PolarHBondContact O-N 3.3Å
905P88.2Confident88.2Confident81 Ų8149.3 Ų49.353%0.52629%0.285SS..THydrogen-bonded Turntrans-53.2141.6177.1-26.835.7000112.8V907P905-V907 VanDerWaalsContact C-N 3.25Å; P905-V907 PolarHBondContact O-N 3.14Å
906G87.2Confident88.9Confident64 Ų6449.3 Ų49.366%0.6629%0.285SS*.THydrogen-bonded Turntrans73.91.5179.500000116.4
907V88.4Confident89.5Confident42 Ų4243.9 Ų43.926%0.25526%0.256SS..SBendtrans-73-29.8171.9174.40000111.9I903 Q904 P905 E1064 L1066I903-V907 HydrophobicContact CG2-CB 3.93Å; I903-V907 HydrophobicContact CG2-CG1 4.06Å; Q904-V907 HydrophobicContact CB-CG2 4.08Å; Q904-V907 WeakPolarHBondContact O-CB 3.41Å; Q904-V907 VanDerWaalsContact O-CG2 3.3Å; Q904-V907 WeakPolarHBondContact O-CG2 3.5Å; Q904-V907 PolarHBondContact O-N 3.3Å; P905-V907 VanDerWaalsContact C-N 3.25Å; P905-V907 PolarHBondContact O-N 3.14Å; V907-E1064 HydrophobicContact CG1-CG 4.42Å; V907-L1066 HydrophobicContact CG1-CD1 4.05Å; V907-L1066 HydrophobicContact CG1-CD2 4.17Å
908L91.8Very high89.8Confident6 Ų641.6 Ų41.63%0.03123%0.233CC..  trans-104.5147.2178-53.6-178.2000111F877 S880 R884 I887 I903 T912 V915F877-L908 HydrophobicContact CD1-CD1 4.12Å; F877-L908 HydrophobicContact CE1-CD1 4.12Å; F877-L908 HydrophobicContact CE1-CD2 4.36Å; S880-L908 WeakPolarHBondContact CB-O 3.5Å; R884-L908 HydrophobicContact CB-CD1 4.02Å; I887-L908 HydrophobicContact CD1-CD1 4.1Å; I903-L908 HydrophobicContact CD1-CD1 4.23Å; I903-L908 HydrophobicContact CG2-CD1 4.15Å; I903-L908 HydrophobicContact CG2-CD2 4.3Å; I903-L908 HydrophobicContact CG2-CG 3.9Å; L908-T912 HydrophobicContact CD2-CG2 4.28Å; L908-V915 HydrophobicContact CD2-CG2 3.84Å
909N92.2Very high89.8Confident67 Ų6739 Ų3936%0.35822%0.221SC..  trans-152.6174.4-179.755.646000111.6F877 L911 T912F877-N909 WeakPolarHBondContact CB-O 3.36Å; F877-N909 CarbonylContact O-C 3.56Å; N909-L911 PolarHBondContact O-N 3.41Å; N909-L911 PolarHBondContact OD1-N 3.02Å; N909-L911 VanDerWaalsContact OD1-N 3.16Å; N909-T912 PolarHBondContact N-OG1 3.29Å; N909-T912 VanDerWaalsContact N-OG1 3.14Å; N909-T912 WeakPolarHBondContact O-CB 3.46Å; N909-T912 PolarHBondContact O-N 3Å; N909-T912 PolarHBondContact O-OG1 3.49Å; N909-T912 PolarHBondContact OD1-N 3.29Å; N909-T912 VanDerWaalsContact OD1-N 3.14Å; N909-T912 PolarHBondContact OD1-OG1 3.27Å
910D90.4Very high89.9Confident115 Ų11539 Ų3962%0.61522%0.222SC*.THydrogen-bonded Turntrans-61.3-21178.663.3-38.6000114.8A878 T912A878-D910 HydrophobicContact CB-CB 4.4Å; D910-T912 VanDerWaalsContact C-N 3.35Å
911L91.9Very high89.8Confident133 Ų13335.8 Ų35.870%0.69620%0.203SC*.THydrogen-bonded Turntrans-85.9-4.2174.5-57.6-179.8000113.6N909N909-L911 PolarHBondContact O-N 3.41Å; N909-L911 PolarHBondContact OD1-N 3.02Å; N909-L911 VanDerWaalsContact OD1-N 3.16Å
912T93.9Very high89.6Confident5 Ų531.9 Ų31.93%0.03119%0.185CC..  trans-72.9131.2-179.5-57.90000110.5F877 L908 N909 D910 V915F877-T912 HydrophobicContact CB-CG2 4.33Å; F877-T912 HydrophobicContact CD1-CG2 3.85Å; F877-T912 HydrophobicContact CD2-CG2 3.73Å; F877-T912 VanDerWaalsContact CD2-O 3.26Å; F877-T912 WeakPolarHBondContact CD2-O 3.36Å; F877-T912 HydrophobicContact CE1-CG2 3.97Å; F877-T912 HydrophobicContact CE2-CG2 3.84Å; F877-T912 HydrophobicContact CG-CG2 3.73Å; F877-T912 HydrophobicContact CZ-CG2 3.96Å; L908-T912 HydrophobicContact CD2-CG2 4.28Å; N909-T912 PolarHBondContact N-OG1 3.29Å; N909-T912 VanDerWaalsContact N-OG1 3.14Å; N909-T912 WeakPolarHBondContact O-CB 3.46Å; N909-T912 PolarHBondContact O-N 3Å; N909-T912 PolarHBondContact O-OG1 3.49Å; N909-T912 PolarHBondContact OD1-N 3.29Å; N909-T912 VanDerWaalsContact OD1-N 3.14Å; N909-T912 PolarHBondContact OD1-OG1 3.27Å; D910-T912 VanDerWaalsContact C-N 3.35Å; T912-V915 HydrophobicContact CG2-CG2 3.41Å; T912-V915 VanDerWaalsContact CG2-CG2 3.41Å
913K94.1Very high89.4Confident41 Ų4133.5 Ų33.518%0.17819%0.192CC..  trans-117.8-44.7-175.9-56.6-164.5-171.3-173.40114.2C850 Q851 F854 Q1059 L1060 S1063C850-K913 CarbonylContact C-O 3.52Å; C850-K913 VanDerWaalsContact CA-O 3.29Å; C850-K913 WeakPolarHBondContact CA-O 3.4Å; Q851-K913 PolarHBondContact N-O 2.92Å; F854-K913 HydrophobicContact CE2-CD 4.45Å; F854-K913 HydrophobicContact CZ-CD 3.93Å; K913-Q1059 VanDerWaalsContact CD-O 3.22Å; K913-Q1059 WeakPolarHBondContact CD-O 3.13Å; K913-Q1059 PolarHBondContact NZ-O 2.75Å; K913-L1060 HydrophobicContact CB-CD1 4.27Å; K913-S1063 PolarHBondContact N-OG 2.92Å
914L95.4Very high89.2Confident0 Ų033.6 Ų33.60%019%0.192CC..EExtended strand (participates in β ladder)trans-142.9124.4179.2177.661.9000109.5L848 Y849 C850 M872 L916 M1054 L1060 C1061 V1062 S1063 E1064L848-L914 HydrophobicContact CB-CD1 4.41Å; Y849-L914 CarbonylContact O-C 3.54Å; Y849-L914 WeakPolarHBondContact O-CA 3.21Å; C850-L914 HydrophobicContact CB-CD1 4.16Å; M872-L914 HydrophobicContact CE-CD1 4.24Å; L914-L916 HydrophobicContact CD2-CD2 4.47Å; L914-L916 HydrophobicContact CG-CD2 4.24Å; L914-M1054 HydrophobicContact CD2-CE 4.23Å; L914-M1054 HydrophobicContact CD2-SD 3.87Å; L914-L1060 HydrophobicContact CB-CD1 3.97Å; L914-C1061 WeakPolarHBondContact CB-O 3.45Å; L914-V1062 HydrophobicContact CD2-CG2 3.84Å; L914-V1062 HydrophobicContact CG-CG2 4.34Å; L914-S1063 PolarHBondContact N-OG 3.28Å; L914-S1063 PolarHBondContact O-N 2.88Å; L914-E1064 PolarHBondContact O-N 3.06Å
915V94.3Very high89Confident0 Ų031.1 Ų31.10%018%0.182CC..EExtended strand (participates in β ladder)trans-115.8126.4176.8-1770000108.6Y849 F877 L908 T912 V917 E1064 L1066Y849-V915 PolarHBondContact N-O 3.16Å; Y849-V915 PolarHBondContact O-N 3.03Å; F877-V915 HydrophobicContact CE1-CG2 3.75Å; F877-V915 HydrophobicContact CE2-CG2 4.32Å; F877-V915 HydrophobicContact CZ-CB 4.13Å; F877-V915 HydrophobicContact CZ-CG2 3.51Å; L908-V915 HydrophobicContact CD2-CG2 3.84Å; T912-V915 HydrophobicContact CG2-CG2 3.41Å; T912-V915 VanDerWaalsContact CG2-CG2 3.41Å; V915-V917 HydrophobicContact CG1-CG2 4.16Å; V915-E1064 WeakPolarHBondContact CA-O 3.38Å; V915-L1066 HydrophobicContact CG1-CD1 4.33Å
916L94.8Very high88.9Confident0 Ų027.6 Ų27.60%016%0.159CC..EExtended strand (participates in β ladder)trans-91.6118.7173.6-51.8-175.3000108.2V789 T793 L848 L914 M1043 V1062 E1064 F1065 L1066V789-L916 HydrophobicContact CG1-CB 3.86Å; V789-L916 HydrophobicContact CG1-CD1 4.4Å; V789-L916 HydrophobicContact CG1-CD2 4.44Å; V789-L916 HydrophobicContact CG1-CG 4.45Å; T793-L916 HydrophobicContact CG2-CD1 3.8Å; T793-L916 HydrophobicContact CG2-CD2 3.42Å; T793-L916 VanDerWaalsContact CG2-CD2 3.42Å; T793-L916 HydrophobicContact CG2-CG 4.28Å; L848-L916 HydrophobicContact CD2-CD2 3.43Å; L848-L916 VanDerWaalsContact CD2-CD2 3.43Å; L914-L916 HydrophobicContact CD2-CD2 4.47Å; L914-L916 HydrophobicContact CG-CD2 4.24Å; L916-M1043 HydrophobicContact CD1-CE 4.15Å; L916-V1062 HydrophobicContact CD1-CG1 3.78Å; L916-V1062 HydrophobicContact CD1-CG2 3.96Å; L916-V1062 HydrophobicContact CD2-CG2 4.22Å; L916-V1062 HydrophobicContact CG-CG1 3.75Å; L916-V1062 HydrophobicContact CG-CG2 4.14Å; L916-E1064 PolarHBondContact N-O 3.44Å; L916-F1065 HydrophobicContact CB-CB 3.91Å; L916-F1065 HydrophobicContact CB-CD1 4.35Å; L916-F1065 HydrophobicContact CB-CD2 3.4Å; L916-F1065 VanDerWaalsContact CB-CD2 3.4Å; L916-F1065 HydrophobicContact CB-CE2 3.97Å; L916-F1065 HydrophobicContact CB-CG 3.63Å; L916-F1065 HydrophobicContact CD1-CB 4.06Å; L916-F1065 HydrophobicContact CD1-CD1 3.73Å; L916-F1065 HydrophobicContact CD1-CD2 4.3Å; L916-F1065 HydrophobicContact CD1-CE1 4.21Å; L916-F1065 HydrophobicContact CD1-CG 3.79Å; L916-F1065 HydrophobicContact CG-CB 4.32Å; L916-F1065 HydrophobicContact CG-CD2 4.46Å; L916-F1065 HydrophobicContact CG-CG 4.25Å; L916-F1065 WeakPolarHBondContact O-CD2 3.28Å; L916-L1066 PolarHBondContact O-N 3.26Å
917V91.5Very high88.9Confident0 Ų026.8 Ų26.80%015%0.146CC..EExtended strand (participates in β ladder)trans-108.6122.9-178.7164.10000109.4S846 R847 Y849 I887 W890 V891 L902 V915S846-V917 WeakPolarHBondContact CA-O 3.49Å; R847-V917 PolarHBondContact N-O 3.49Å; R847-V917 PolarHBondContact O-N 3.12Å; Y849-V917 HydrophobicContact CD2-CB 4.05Å; Y849-V917 HydrophobicContact CD2-CG2 3.58Å; Y849-V917 HydrophobicContact CE2-CB 3.98Å; Y849-V917 HydrophobicContact CE2-CG1 4.28Å; Y849-V917 HydrophobicContact CE2-CG2 3.75Å; I887-V917 HydrophobicContact CG2-CG2 3.8Å; W890-V917 HydrophobicContact CZ3-CG1 4.02Å; V891-V917 HydrophobicContact CG2-CG1 3.69Å; L902-V917 HydrophobicContact CD2-CB 4.35Å; L902-V917 HydrophobicContact CD2-CG1 3.68Å; L902-V917 HydrophobicContact CD2-CG2 4.23Å; V915-V917 HydrophobicContact CG1-CG2 4.16Å
918N89.7Confident88.6Confident0 Ų028.9 Ų28.90%016%0.159CC..EExtended strand (participates in β ladder)trans-136114170.1-171-104.8000110.6S785 V789 A845 S846 F1065 L1066 H1067 K1068S785-N918 PolarHBondContact O-ND2 2.8Å; S785-N918 PolarHBondContact OG-ND2 3.34Å; S785-N918 PolarHBondContact OG-OD1 2.59Å; V789-N918 HydrophobicContact CG2-CB 4.03Å; A845-N918 WeakPolarHBondContact O-CA 3.26Å; S846-N918 PolarHBondContact OG-ND2 3.46Å; N918-F1065 HydrophobicContact CB-CE2 4.05Å; N918-L1066 PolarHBondContact N-O 3.02Å; N918-H1067 CarbonylContact O-C 3.49Å; N918-H1067 VanDerWaalsContact O-CA 3.22Å; N918-H1067 WeakPolarHBondContact O-CA 3.29Å; N918-H1067 PolarHBondContact OD1-CE1 3.34Å; N918-H1067 PolarHBondContact OD1-ND1 3.47Å; N918-K1068 PolarHBondContact O-N 2.75Å
919A85Confident88.5Confident0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-129.5137.5171.700000108.9A845 V891 T895 I899 K1068A845-A919 WeakPolarHBondContact CA-O 3.29Å; A845-A919 HydrophobicContact CB-CB 4.32Å; A845-A919 WeakPolarHBondContact CB-O 3.25Å; A845-A919 PolarHBondContact N-O 2.9Å; A845-A919 PolarHBondContact O-N 3.35Å; V891-A919 HydrophobicContact CG1-CB 3.35Å; V891-A919 HydrophobicContact CG2-CB 4.48Å; T895-A919 HydrophobicContact CG2-CB 4.3Å; I899-A919 HydrophobicContact CD1-CB 4.04Å; I899-A919 HydrophobicContact CG2-CB 4.22Å; A919-K1068 WeakPolarHBondContact CA-O 3.48Å
920V84.7Confident88.2Confident1 Ų129.1 Ų29.11%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-147132.2-172.759.30000113.2L842 N843 A844 K1068 A1069 F1070 F1122L842-V920 HydrophobicContact CD1-CG2 4.17Å; N843-V920 WeakPolarHBondContact O-CA 3.38Å; A844-V920 HydrophobicContact CB-CB 4.44Å; A844-V920 HydrophobicContact CB-CG2 4.01Å; V920-K1068 PolarHBondContact N-O 3.38Å; V920-A1069 HydrophobicContact CG1-CB 4.19Å; V920-A1069 WeakPolarHBondContact O-CA 3.35Å; V920-F1070 PolarHBondContact O-N 3.36Å; V920-F1122 HydrophobicContact CG1-CE1 3.94Å; V920-F1122 HydrophobicContact CG1-CZ 4.42Å; V920-F1122 HydrophobicContact CG2-CE1 4.15Å; V920-F1122 HydrophobicContact CG2-CZ 3.78Å
921Y82.2Confident87.9Confident8 Ų827.4 Ų27.43%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-120133.6-179.7170.7-106.9000109.6N843 K898 K923 F1070 E1079N843-Y921 PolarHBondContact N-O 3.36Å; N843-Y921 PolarHBondContact O-N 2.87Å; K898-Y921 HydrophobicContact CB-CD2 3.64Å; K898-Y921 HydrophobicContact CB-CE2 3.99Å; K898-Y921 HydrophobicContact CB-CG 4.04Å; K898-Y921 HydrophobicContact CD-CD2 4.17Å; K898-Y921 HydrophobicContact CD-CE2 3.59Å; K898-Y921 WeakPolarHBondContact CE-OH 3.38Å; K898-Y921 HydrophobicContact CG-CD1 4.34Å; K898-Y921 HydrophobicContact CG-CD2 3.66Å; K898-Y921 HydrophobicContact CG-CE1 4.19Å; K898-Y921 HydrophobicContact CG-CE2 3.5Å; K898-Y921 HydrophobicContact CG-CG 4.07Å; Y921-K923 HydrophobicContact CE1-CB 3.71Å; Y921-K923 HydrophobicContact CE1-CD 4.47Å; Y921-F1070 HydrophobicContact CD2-CB 4.31Å; Y921-F1070 AromaticContact CD2-CD1 3.52Å; Y921-F1070 HydrophobicContact CD2-CD1 3.52Å; Y921-F1070 HydrophobicContact CD2-CE1 4.15Å; Y921-F1070 HydrophobicContact CD2-CG 4.15Å; Y921-F1070 AromaticContact CE2-CD1 3.57Å; Y921-F1070 HydrophobicContact CE2-CD1 3.57Å; Y921-F1070 AromaticContact CE2-CE1 3.72Å; Y921-F1070 HydrophobicContact CE2-CE1 3.72Å; Y921-E1079 PolarHBondContact OH-OE1 2.99Å; Y921-E1079 VanDerWaalsContact OH-OE1 3.08Å
922F82.7Confident87.7Confident1 Ų125.3 Ų25.30%0.00414%0.137CC..EExtended strand (participates in β ladder)trans-121139.3172.1175.6-96.8000111Y840 L842 Y974 L979 T1078 I1112 F1122Y840-F922 AromaticContact CD2-CE2 3.79Å; Y840-F922 HydrophobicContact CD2-CE2 3.79Å; Y840-F922 HydrophobicContact CG-CE2 4.13Å; L842-F922 HydrophobicContact CD1-CB 4.37Å; L842-F922 HydrophobicContact CD1-CD2 4.12Å; F922-Y974 HydrophobicContact CE1-CD1 4.47Å; F922-Y974 HydrophobicContact CE1-CD2 4.38Å; F922-Y974 AromaticContact CE1-CE1 3.93Å; F922-Y974 HydrophobicContact CE1-CE1 3.93Å; F922-Y974 AromaticContact CE1-CE2 3.82Å; F922-Y974 HydrophobicContact CE1-CE2 3.82Å; F922-Y974 AromaticContact CE1-CZ 3.56Å; F922-Y974 HydrophobicContact CZ-CD1 4.36Å; F922-Y974 AromaticContact CZ-CD2 3.95Å; F922-Y974 HydrophobicContact CZ-CD2 3.95Å; F922-Y974 HydrophobicContact CZ-CE1 4.25Å; F922-Y974 AromaticContact CZ-CE2 3.82Å; F922-Y974 HydrophobicContact CZ-CE2 3.82Å; F922-Y974 HydrophobicContact CZ-CG 4.22Å; F922-Y974 AromaticContact CZ-CZ 3.98Å; F922-L979 HydrophobicContact CD2-CD1 4.49Å; F922-L979 HydrophobicContact CE2-CD1 3.53Å; F922-L979 HydrophobicContact CZ-CD1 4.06Å; F922-T1078 HydrophobicContact CD1-CG2 4.02Å; F922-T1078 HydrophobicContact CE1-CG2 4.44Å; F922-T1078 WeakPolarHBondContact O-CG2 3.26Å; F922-I1112 HydrophobicContact CD1-CD1 3.64Å; F922-I1112 HydrophobicContact CE1-CD1 4.03Å; F922-I1112 HydrophobicContact CE1-CG2 4.39Å; F922-I1112 HydrophobicContact CG-CD1 4.27Å; F922-I1112 HydrophobicContact CZ-CG2 4.33Å; F922-F1122 HydrophobicContact CB-CE1 4.49Å; F922-F1122 HydrophobicContact CB-CE2 3.6Å; F922-F1122 HydrophobicContact CB-CZ 3.54Å; F922-F1122 HydrophobicContact CD2-CE2 4.44Å; F922-F1122 HydrophobicContact CG-CE2 4.14Å
923K81.9Confident87.4Confident46 Ų4631.4 Ų31.420%0.217%0.169CC..EExtended strand (participates in β ladder)trans-140.7135.5177.1178.7-168.7172.162.60107.8Y840 N841 Y921 T1078 E1079Y840-K923 CarbonylContact C-O 3.56Å; Y840-K923 WeakPolarHBondContact CA-O 3.42Å; Y840-K923 VanDerWaalsContact CB-O 3.29Å; Y840-K923 WeakPolarHBondContact CB-O 3.33Å; N841-K923 HydrophobicContact CB-CB 4.46Å; N841-K923 PolarHBondContact N-O 2.82Å; N841-K923 PolarHBondContact O-N 3Å; N841-K923 VanDerWaalsContact O-N 3.07Å; Y921-K923 HydrophobicContact CE1-CB 3.71Å; Y921-K923 HydrophobicContact CE1-CD 4.47Å; K923-T1078 CarbonylContact C-O 3.54Å; K923-T1078 VanDerWaalsContact CA-O 3.22Å; K923-T1078 WeakPolarHBondContact CA-O 3.43Å; K923-T1078 WeakPolarHBondContact CG-O 3.35Å; K923-E1079 WeakPolarHBondContact CE-O 3.4Å; K923-E1079 HydrophobicContact CG-CB 4.47Å; K923-E1079 WeakPolarHBondContact CG-O 3.35Å; K923-E1079 VanDerWaalsContact NZ-C 3.26Å; K923-E1079 PolarHBondContact NZ-O 2.83Å; K923-E1079 IonicContact NZ-OE1 2.71Å; K923-E1079 PolarHBondContact NZ-OE1 3.09Å
924G84.6Confident87.1Confident1 Ų133.7 Ų33.71%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-169.7126.3-179.300000113.9Y974 G1077 T1078G924-Y974 VanDerWaalsContact O-CD1 3.26Å; G924-Y974 WeakPolarHBondContact O-CD1 3.26Å; G924-Y974 WeakPolarHBondContact O-CE1 3.36Å; G924-G1077 CarbonylContact O-C 3.57Å; G924-G1077 VanDerWaalsContact O-CA 3.24Å; G924-G1077 WeakPolarHBondContact O-CA 3.45Å; G924-T1078 PolarHBondContact N-O 2.71Å; G924-T1078 PolarHBondContact O-N 3.24Å
925D84.5Confident86.9Confident43 Ų4335.1 Ų35.123%0.2319%0.186CC..EExtended strand (participates in β ladder)trans-68.7143.4178.5-87.212.8000110.7G839 K929 Y974 K975G839-D925 PolarHBondContact O-N 2.97Å; D925-K929 IonicContact OD1-NZ 3.64Å; D925-K929 WeakPolarHBondContact OD2-CE 3.48Å; D925-K929 IonicContact OD2-NZ 3.87Å; D925-K929 PolarHBondContact OD2-NZ 3.48Å; D925-Y974 CarbonylContact O-C 3.54Å; D925-Y974 WeakPolarHBondContact O-CA 3.37Å; D925-K975 HydrophobicContact CB-CB 4.44Å; D925-K975 PolarHBondContact O-N 3.08Å
926W86.9Confident86.8Confident6 Ų639.9 Ų39.92%0.02321%0.21CC..BIsolated β-bridgetrans-64143.5171-63126.1000110.9V928 K929 F930 I972 Y974 L981 V1073 N1074 E1076 G1077W926-V928 WeakPolarHBondContact CB-O 3.46Å; W926-V928 PolarHBondContact O-N 3.32Å; W926-K929 HydrophobicContact CB-CG 4.31Å; W926-F930 AromaticContact CD1-CD2 3.94Å; W926-F930 AromaticContact NE1-CD2 3.75Å; W926-I972 HydrophobicContact CD2-CG2 3.9Å; W926-I972 HydrophobicContact CE3-CB 4.19Å; W926-I972 HydrophobicContact CE3-CG2 3.44Å; W926-I972 VanDerWaalsContact CE3-CG2 3.44Å; W926-I972 HydrophobicContact CH2-CG2 4.36Å; W926-I972 HydrophobicContact CZ3-CB 3.94Å; W926-I972 HydrophobicContact CZ3-CG2 3.69Å; W926-Y974 HydrophobicContact CD2-CE1 4.42Å; W926-Y974 AromaticContact CE3-CD1 3.76Å; W926-Y974 HydrophobicContact CE3-CD1 3.76Å; W926-Y974 AromaticContact CE3-CE1 3.6Å; W926-Y974 HydrophobicContact CE3-CE1 3.6Å; W926-Y974 AromaticContact CH2-CE1 3.77Å; W926-Y974 HydrophobicContact CH2-CE1 3.77Å; W926-Y974 AromaticContact CH2-CZ 3.9Å; W926-Y974 AromaticContact CZ3-CD1 3.82Å; W926-Y974 HydrophobicContact CZ3-CD1 3.82Å; W926-Y974 AromaticContact CZ3-CE1 3.23Å; W926-Y974 HydrophobicContact CZ3-CE1 3.23Å; W926-Y974 HydrophobicContact CZ3-CE2 4.25Å; W926-Y974 AromaticContact CZ3-CZ 3.48Å; W926-Y974 VanDerWaalsContact CZ3-CZ 3.48Å; W926-L981 HydrophobicContact CH2-CB 3.79Å; W926-L981 HydrophobicContact CH2-CD2 3.68Å; W926-L981 HydrophobicContact CH2-CG 4.36Å; W926-L981 HydrophobicContact CZ2-CD2 4.49Å; W926-L981 HydrophobicContact CZ3-CB 3.8Å; W926-V1073 HydrophobicContact CZ2-CG1 4.13Å; W926-N1074 PolarHBondContact NE1-O 2.65Å; W926-E1076 VanDerWaalsContact CD1-C 3.41Å; W926-E1076 PolarHBondContact N-O 3.16Å; W926-G1077 VanDerWaalsContact CD1-CA 3.43Å
927A85.5Confident86.8Confident47 Ų4745.4 Ų45.439%0.38824%0.236SC..SBendtrans-59-34.2169.400000111.6A973A927-A973 HydrophobicContact CB-CB 4.13Å; A927-A973 WeakPolarHBondContact CB-O 3.5Å; A927-A973 PolarHBondContact N-O 2.6Å
928V83.8Confident86.9Confident87 Ų8746.3 Ų46.353%0.52724%0.244SC..SBendtrans-135.7115.3167.8-171.80000108.7W926 R957W926-V928 WeakPolarHBondContact CB-O 3.46Å; W926-V928 PolarHBondContact O-N 3.32Å; V928-R957 PolarHBondContact O-NH1 2.99Å; V928-R957 PolarHBondContact O-NH2 3Å
929K88Confident87Confident68 Ų6848.2 Ų48.230%0.29626%0.256SS..  trans-69156.8-174.6-60.6-173.4169.6-1680112.3D925 W926 R957 E1076D925-K929 IonicContact OD1-NZ 3.64Å; D925-K929 WeakPolarHBondContact OD2-CE 3.48Å; D925-K929 IonicContact OD2-NZ 3.87Å; D925-K929 PolarHBondContact OD2-NZ 3.48Å; W926-K929 HydrophobicContact CB-CG 4.31Å; K929-R957 PolarHBondContact O-NH1 2.86Å; K929-E1076 HydrophobicContact CD-CB 4.45Å; K929-E1076 VanDerWaalsContact CD-OE2 3.29Å; K929-E1076 WeakPolarHBondContact CD-OE2 3.34Å; K929-E1076 WeakPolarHBondContact CE-O 3.45Å; K929-E1076 WeakPolarHBondContact CE-OE2 3.34Å; K929-E1076 IonicContact NZ-OE2 2.56Å; K929-E1076 PolarHBondContact NZ-OE2 2.99Å
930F86.9Confident87.5Confident9 Ų948.2 Ų48.24%0.03926%0.256CS..  trans-78.4151.4168.7-75.5-101.3000109.6W926 T932 M953 D955 I972 V1018 I1020 E1075W926-F930 AromaticContact CD1-CD2 3.94Å; W926-F930 AromaticContact NE1-CD2 3.75Å; F930-T932 PolarHBondContact O-N 3.49Å; F930-M953 HydrophobicContact CD1-CB 3.89Å; F930-M953 HydrophobicContact CE1-CB 4.25Å; F930-M953 HydrophobicContact CG-CB 4.2Å; F930-D955 HydrophobicContact CD1-CB 3.76Å; F930-D955 HydrophobicContact CE1-CB 3.9Å; F930-I972 HydrophobicContact CE2-CD1 4.18Å; F930-I972 HydrophobicContact CZ-CD1 4.03Å; F930-V1018 HydrophobicContact CE1-CG1 4.25Å; F930-V1018 HydrophobicContact CZ-CG1 4.23Å; F930-I1020 HydrophobicContact CE1-CG1 4.38Å; F930-I1020 HydrophobicContact CE2-CD1 4.2Å; F930-I1020 HydrophobicContact CZ-CD1 3.8Å; F930-I1020 HydrophobicContact CZ-CG1 4.05Å; F930-E1075 HydrophobicContact CB-CB 3.98Å; F930-E1075 HydrophobicContact CB-CG 4.27Å; F930-E1075 PolarHBondContact N-O 2.04Å
931Q84Confident87.9Confident80 Ų8051.3 Ų51.337%0.37427%0.268SS..  trans-83.3115.2175.3-59.5-170.5-13.700109.2N933 R934Q931-N933 WeakPolarHBondContact CB-OD1 3.4Å; Q931-N933 PolarHBondContact O-N 2.95Å; Q931-N933 VanDerWaalsContact O-N 3.1Å; Q931-R934 HydrophobicContact CB-CB 4.49Å; Q931-R934 HydrophobicContact CB-CG 3.96Å; Q931-R934 WeakPolarHBondContact O-CA 3.37Å; Q931-R934 WeakPolarHBondContact O-CB 3.39Å; Q931-R934 PolarHBondContact O-N 2.88Å; Q931-R934 VanDerWaalsContact OE1-CZ 3.25Å; Q931-R934 VanDerWaalsContact OE1-NH2 3.14Å
932T86.9Confident88.3Confident88 Ų8852.5 Ų52.554%0.5428%0.275SS..G310 helixtrans-59.7-23.2-176.4490000114.3F930 R934 T935 E1075F930-T932 PolarHBondContact O-N 3.49Å; T932-R934 VanDerWaalsContact C-N 3.27Å; T932-R934 PolarHBondContact O-N 2.77Å; T932-T935 PolarHBondContact O-N 3.33Å; T932-E1075 HydrophobicContact CG2-CB 3.72Å; T932-E1075 HydrophobicContact CG2-CG 3.88Å
933N87.3Confident88.6Confident133 Ų13354.9 Ų54.971%0.71129%0.291SS*.G310 helixtrans-810.3172.769.2-19.2000114.3Q931Q931-N933 WeakPolarHBondContact CB-OD1 3.4Å; Q931-N933 PolarHBondContact O-N 2.95Å; Q931-N933 VanDerWaalsContact O-N 3.1Å
934R89Confident88.9Confident90 Ų9056.4 Ų56.434%0.3431%0.312SS..G310 helixtrans-103.5-6.5169-60-178.3-172.8-160.2-9.5112.9Q931 T932 I936 T954 D955Q931-R934 HydrophobicContact CB-CB 4.49Å; Q931-R934 HydrophobicContact CB-CG 3.96Å; Q931-R934 WeakPolarHBondContact O-CA 3.37Å; Q931-R934 WeakPolarHBondContact O-CB 3.39Å; Q931-R934 PolarHBondContact O-N 2.88Å; Q931-R934 VanDerWaalsContact OE1-CZ 3.25Å; Q931-R934 VanDerWaalsContact OE1-NH2 3.14Å; T932-R934 VanDerWaalsContact C-N 3.27Å; T932-R934 PolarHBondContact O-N 2.77Å; R934-I936 PolarHBondContact O-N 2.6Å; R934-T954 WeakPolarHBondContact CB-O 3.42Å; R934-T954 VanDerWaalsContact CD-O 3.29Å; R934-T954 WeakPolarHBondContact CD-O 3.11Å; R934-D955 IonicContact CZ-OD1 2.76Å; R934-D955 IonicContact NH1-OD1 3.27Å; R934-D955 PolarHBondContact NH1-OD1 3.22Å
935T91.3Very high89.1Confident29 Ų2964 Ų6418%0.17835%0.352CS..  trans-69.8124.5170.1-54.40000108.9T932 P951 M952 M953 E1075T932-T935 PolarHBondContact O-N 3.33Å; T935-P951 HydrophobicContact CG2-CB 3.78Å; T935-M952 WeakPolarHBondContact CA-O 3.44Å; T935-M953 HydrophobicContact CG2-CG 4.39Å; T935-E1075 VanDerWaalsContact OG1-CG 3.28Å; T935-E1075 WeakPolarHBondContact OG1-CG 3.33Å; T935-E1075 PolarHBondContact OG1-OE1 2.96Å
936I91.9Very high89.3Confident100 Ų10065.8 Ų65.851%0.51336%0.362SS..EExtended strand (participates in β ladder)trans-133.6150.4-179.858.5172.2000110.9R934 A938 M952R934-I936 PolarHBondContact O-N 2.6Å; I936-A938 PolarHBondContact O-N 2.86Å; I936-M952 PolarHBondContact N-O 2.69Å; I936-M952 PolarHBondContact O-N 2.91Å
937E94.4Very high89.5Confident117 Ų11769.9 Ų69.955%0.54738%0.381SS..EExtended strand (participates in β ladder)trans-66.4125.4168.5-66.9-58.2138.700109.9I950 P951E937-I950 VanDerWaalsContact OE2-CA 3.23Å; E937-I950 WeakPolarHBondContact OE2-CA 3.43Å; E937-I950 PolarHBondContact OE2-N 3.3Å; E937-P951 WeakPolarHBondContact OE1-CD 3.45Å
938A92.8Very high89.8Confident19 Ų1969.7 Ų69.716%0.15738%0.375CS..EExtended strand (participates in β ladder)trans-145158.4177.500000112.1I936 F940 I950 M952I936-A938 PolarHBondContact O-N 2.86Å; A938-F940 PolarHBondContact O-N 2.85Å; A938-I950 PolarHBondContact N-O 2.7Å; A938-I950 PolarHBondContact O-N 2.84Å; A938-M952 HydrophobicContact CB-CB 4.06Å; A938-M952 HydrophobicContact CB-CG 3.66Å
939P93.5Very high90.3Very high39 Ų3970.3 Ų70.325%0.25337%0.373SS..EExtended strand (participates in β ladder)trans-73126.7-174.128.5-34.6000112.2Y941 H947 V948P939-Y941 HydrophobicContact CB-CE2 4.19Å; P939-Y941 HydrophobicContact CG-CE2 4.2Å; P939-H947 HydrophobicContact CB-CB 4.38Å; P939-V948 CarbonylContact C-O 3.59Å; P939-V948 WeakPolarHBondContact CA-O 3.38Å
940F95Very high90.6Very high0 Ų067.7 Ų67.70%036%0.362CS..EExtended strand (participates in β ladder)trans-106.6122.6164.9-170.9-79.7000109.9A938 L942 H947 V948 I950 M952 P1021 A1104 D1105 H1106 F1108 Y1126 Y1127A938-F940 PolarHBondContact O-N 2.85Å; F940-L942 HydrophobicContact CD1-CD2 3.84Å; F940-L942 HydrophobicContact CE1-CD2 4.01Å; F940-H947 CarbonylContact O-C 3.56Å; F940-H947 WeakPolarHBondContact O-CA 3.49Å; F940-H947 WeakPolarHBondContact O-CB 3.41Å; F940-V948 HydrophobicContact CB-CG2 4.26Å; F940-V948 PolarHBondContact N-O 3.08Å; F940-V948 PolarHBondContact O-N 2.92Å; F940-I950 HydrophobicContact CB-CD1 3.49Å; F940-I950 VanDerWaalsContact CB-CD1 3.49Å; F940-I950 HydrophobicContact CB-CG1 3.81Å; F940-I950 HydrophobicContact CD2-CD1 3.82Å; F940-I950 HydrophobicContact CG-CD1 3.79Å; F940-M952 HydrophobicContact CB-CE 4.18Å; F940-M952 HydrophobicContact CD2-CE 3.89Å; F940-P1021 HydrophobicContact CE2-CG 4.41Å; F940-A1104 WeakPolarHBondContact CE2-O 3.3Å; F940-D1105 CarbonylContact C-O 3.55Å; F940-D1105 VanDerWaalsContact CA-O 3.3Å; F940-D1105 WeakPolarHBondContact CA-O 3.4Å; F940-H1106 WeakPolarHBondContact CE2-O 3.31Å; F940-H1106 VanDerWaalsContact CZ-CA 3.5Å; F940-H1106 VanDerWaalsContact CZ-O 3.31Å; F940-H1106 WeakPolarHBondContact CZ-O 3.14Å; F940-F1108 HydrophobicContact CE2-CD1 4.47Å; F940-F1108 HydrophobicContact CE2-CE1 4.16Å; F940-Y1126 HydrophobicContact CD2-CE1 4.04Å; F940-Y1126 HydrophobicContact CE1-CE1 4.3Å; F940-Y1126 AromaticContact CE2-CD1 3.61Å; F940-Y1126 HydrophobicContact CE2-CD1 3.61Å; F940-Y1126 AromaticContact CE2-CE1 3.51Å; F940-Y1126 HydrophobicContact CE2-CE1 3.51Å; F940-Y1126 AromaticContact CZ-CD1 3.56Å; F940-Y1126 HydrophobicContact CZ-CD1 3.56Å; F940-Y1126 AromaticContact CZ-CE1 3.64Å; F940-Y1126 HydrophobicContact CZ-CE1 3.64Å; F940-Y1127 WeakPolarHBondContact CE1-O 3.25Å
941Y93.8Very high91Very high67 Ų6769.3 Ų69.326%0.26337%0.373SS..EExtended strand (participates in β ladder)trans-89.4107.6-170.7-62.2-88.2000111.6P939 H947 R989 D1105P939-Y941 HydrophobicContact CB-CE2 4.19Å; P939-Y941 HydrophobicContact CG-CE2 4.2Å; Y941-H947 HydrophobicContact CD1-CB 3.85Å; Y941-H947 HydrophobicContact CE1-CB 4.2Å; Y941-H947 HydrophobicContact CG-CB 4.34Å; Y941-R989 VanDerWaalsContact CE2-NH2 3.34Å; Y941-D1105 HydrophobicContact CD2-CB 4.13Å; Y941-D1105 WeakPolarHBondContact CD2-O 3.4Å; Y941-D1105 HydrophobicContact CE2-CB 4.34Å; Y941-D1105 PolarHBondContact N-O 3.35Å
942L90.4Very high91.5Very high33 Ų3365.6 Ų65.617%0.17336%0.355CS..EExtended strand (participates in β ladder)trans-83-27.6175.8-55.2177.4000111.9F940 N946 V948 Y1127F940-L942 HydrophobicContact CD1-CD2 3.84Å; F940-L942 HydrophobicContact CE1-CD2 4.01Å; L942-N946 HydrophobicContact CB-CB 4.44Å; L942-N946 PolarHBondContact N-O 3.41Å; L942-V948 HydrophobicContact CD1-CG1 3.9Å; L942-V948 HydrophobicContact CD1-CG2 4.22Å; L942-V948 HydrophobicContact CG-CG2 4.35Å; L942-Y1127 WeakPolarHBondContact CD2-O 3.25Å; L942-Y1127 PolarHBondContact O-OH 2.97Å
943S88Confident91.9Very high50 Ų5061.4 Ų61.435%0.3533%0.33SS..EExtended strand (participates in β ladder)trans-157.3175.616982.30000110.4N945 N946 F990S943-N945 PolarHBondContact O-N 2.91Å; S943-N945 PolarHBondContact OG-N 2.75Å; S943-N946 PolarHBondContact N-O 3.3Å; S943-N946 PolarHBondContact O-N 2.93Å; S943-N946 WeakPolarHBondContact OG-CB 3.3Å; S943-N946 PolarHBondContact OG-N 2.81Å; S943-F990 WeakPolarHBondContact O-CZ 3.23Å
944A87.8Confident92.1Very high78 Ų7856.5 Ų56.565%0.64531%0.305SS*.THydrogen-bonded Turntrans-56-25.6176.600000114F990A944-F990 HydrophobicContact CB-CD2 4.46Å; A944-F990 HydrophobicContact CB-CE2 3.99Å
945N89.2Confident92.2Very high160 Ų16052.8 Ų52.886%0.85629%0.292SS*.THydrogen-bonded Turntrans-114.60.6-178.7-64.4-19.6000113.4S943S943-N945 PolarHBondContact O-N 2.91Å; S943-N945 PolarHBondContact OG-N 2.75Å
946N89.8Confident92.1Very high81 Ų8154.7 Ų54.743%0.43330%0.297SS..EExtended strand (participates in β ladder)trans-133.1124.4-175.1-172.817.9000111.1L942 S943L942-N946 HydrophobicContact CB-CB 4.44Å; L942-N946 PolarHBondContact N-O 3.41Å; S943-N946 PolarHBondContact N-O 3.3Å; S943-N946 PolarHBondContact O-N 2.93Å; S943-N946 WeakPolarHBondContact OG-CB 3.3Å; S943-N946 PolarHBondContact OG-N 2.81Å
947H89.8Confident91.8Very high92 Ų9252 Ų5243%0.42628%0.281SS..EExtended strand (participates in β ladder)trans-141.2152172.970.7-84.8000110.2P939 F940 Y941P939-H947 HydrophobicContact CB-CB 4.38Å; F940-H947 CarbonylContact O-C 3.56Å; F940-H947 WeakPolarHBondContact O-CA 3.49Å; F940-H947 WeakPolarHBondContact O-CB 3.41Å; Y941-H947 HydrophobicContact CD1-CB 3.85Å; Y941-H947 HydrophobicContact CE1-CB 4.2Å; Y941-H947 HydrophobicContact CG-CB 4.34Å
948V93Very high91.3Very high43 Ų4351.4 Ų51.426%0.26128%0.277SS..EExtended strand (participates in β ladder)trans-116.5145.7174.3-71.20000109.1P939 F940 L942 I950 P1129P939-V948 CarbonylContact C-O 3.59Å; P939-V948 WeakPolarHBondContact CA-O 3.38Å; F940-V948 HydrophobicContact CB-CG2 4.26Å; F940-V948 PolarHBondContact N-O 3.08Å; F940-V948 PolarHBondContact O-N 2.92Å; L942-V948 HydrophobicContact CD1-CG1 3.9Å; L942-V948 HydrophobicContact CD1-CG2 4.22Å; L942-V948 HydrophobicContact CG-CG2 4.35Å; V948-I950 HydrophobicContact CG2-CG2 4.05Å; V948-P1129 HydrophobicContact CG2-CG 3.88Å
949Q94.3Very high91.1Very high101 Ų10151 Ų5147%0.47227%0.271SS..EExtended strand (participates in β ladder)trans-81129.4167.4-58.8-61-37.400107.9
950I94.1Very high90.9Very high13 Ų1352.9 Ų52.97%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-139.2155.417559.2175.2000110.9E937 A938 F940 V948 M952 P1021 Y1126 P1129E937-I950 VanDerWaalsContact OE2-CA 3.23Å; E937-I950 WeakPolarHBondContact OE2-CA 3.43Å; E937-I950 PolarHBondContact OE2-N 3.3Å; A938-I950 PolarHBondContact N-O 2.7Å; A938-I950 PolarHBondContact O-N 2.84Å; F940-I950 HydrophobicContact CB-CD1 3.49Å; F940-I950 VanDerWaalsContact CB-CD1 3.49Å; F940-I950 HydrophobicContact CB-CG1 3.81Å; F940-I950 HydrophobicContact CD2-CD1 3.82Å; F940-I950 HydrophobicContact CG-CD1 3.79Å; V948-I950 HydrophobicContact CG2-CG2 4.05Å; I950-M952 HydrophobicContact CD1-CE 4.25Å; I950-M952 HydrophobicContact CG1-CE 4.2Å; I950-M952 PolarHBondContact O-N 2.73Å; I950-M952 VanDerWaalsContact O-N 3.14Å; I950-P1021 HydrophobicContact CD1-CB 3.63Å; I950-P1021 HydrophobicContact CG1-CB 4.49Å; I950-Y1126 HydrophobicContact CD1-CE1 4.34Å; I950-P1129 HydrophobicContact CG2-CG 4Å
951P94.7Very high90.8Very high42 Ų4253.4 Ų53.427%0.27328%0.278SS..EExtended strand (participates in β ladder)trans-65.2113176.423.3-33.4000111.6T935 E937 K1022T935-P951 HydrophobicContact CG2-CB 3.78Å; E937-P951 WeakPolarHBondContact OE1-CD 3.45Å; P951-K1022 HydrophobicContact CB-CB 4.4Å; P951-K1022 HydrophobicContact CG-CB 4.25Å; P951-K1022 WeakPolarHBondContact O-CB 3.5Å; P951-K1022 PolarHBondContact O-N 2.94Å
952M94.8Very high90.8Very high2 Ų251.2 Ų51.21%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-103.2114.8177.8-73.1-73.6-167.400110.4T935 I936 A938 F940 I950 T1019 I1020 P1021 D1105T935-M952 WeakPolarHBondContact CA-O 3.44Å; I936-M952 PolarHBondContact N-O 2.69Å; I936-M952 PolarHBondContact O-N 2.91Å; A938-M952 HydrophobicContact CB-CB 4.06Å; A938-M952 HydrophobicContact CB-CG 3.66Å; F940-M952 HydrophobicContact CB-CE 4.18Å; F940-M952 HydrophobicContact CD2-CE 3.89Å; I950-M952 HydrophobicContact CD1-CE 4.25Å; I950-M952 HydrophobicContact CG1-CE 4.2Å; I950-M952 PolarHBondContact O-N 2.73Å; I950-M952 VanDerWaalsContact O-N 3.14Å; M952-T1019 HydrophobicContact CB-CG2 3.79Å; M952-T1019 HydrophobicContact CG-CG2 4.23Å; M952-T1019 HydrophobicContact SD-CG2 4.23Å; M952-I1020 CarbonylContact C-O 3.5Å; M952-I1020 WeakPolarHBondContact CA-O 3.42Å; M952-I1020 VanDerWaalsContact SD-C 3.55Å; M952-P1021 HydrophobicContact CE-CB 4.31Å; M952-P1021 VanDerWaalsContact SD-CA 3.56Å; M952-P1021 HydrophobicContact SD-CB 3.84Å; M952-P1021 HydrophobicContact SD-CG 4.39Å; M952-P1021 VanDerWaalsContact SD-N 3.37Å; M952-D1105 HydrophobicContact CE-CB 4.41Å
953M95.1Very high91Very high0 Ų054.1 Ų54.10%029%0.285CS..EExtended strand (participates in β ladder)trans-75.4124.8175.7-49.4-175.2-61.300108.9F930 T935 T1019 I1020 K1022 V1073 N1074 E1075F930-M953 HydrophobicContact CD1-CB 3.89Å; F930-M953 HydrophobicContact CE1-CB 4.25Å; F930-M953 HydrophobicContact CG-CB 4.2Å; T935-M953 HydrophobicContact CG2-CG 4.39Å; M953-T1019 WeakPolarHBondContact O-CA 3.29Å; M953-I1020 HydrophobicContact CB-CG1 4.45Å; M953-I1020 HydrophobicContact CE-CD1 3.76Å; M953-I1020 HydrophobicContact CE-CG1 3.89Å; M953-I1020 PolarHBondContact N-O 2.87Å; M953-I1020 PolarHBondContact O-N 2.89Å; M953-K1022 HydrophobicContact CG-CB 4.01Å; M953-K1022 HydrophobicContact SD-CB 4.09Å; M953-V1073 HydrophobicContact CE-CG1 3.94Å; M953-N1074 VanDerWaalsContact SD-CA 3.58Å; M953-E1075 HydrophobicContact CG-CG 4.02Å; M953-E1075 HydrophobicContact SD-CB 4.32Å; M953-E1075 HydrophobicContact SD-CG 3.77Å; M953-E1075 PolarHBondContact SD-N 3.38Å
954T91.7Very high91.2Very high30 Ų3053.8 Ų53.818%0.18428%0.279CS..EExtended strand (participates in β ladder)trans-121.7133.4-176.5-61.30000112R934 V1018 T1019R934-T954 WeakPolarHBondContact CB-O 3.42Å; R934-T954 VanDerWaalsContact CD-O 3.29Å; R934-T954 WeakPolarHBondContact CD-O 3.11Å; T954-V1018 CarbonylContact C-O 3.47Å; T954-V1018 VanDerWaalsContact CA-O 3.26Å; T954-V1018 WeakPolarHBondContact CA-O 3.44Å; T954-T1019 PolarHBondContact OG1-OG1 3.18Å
955D90Very high91.3Very high12 Ų1258.7 Ų58.76%0.06429%0.289CS..EExtended strand (participates in β ladder)trans-146.6159.5169.3-159.917.2000112.3F930 R934 R957 V1018F930-D955 HydrophobicContact CD1-CB 3.76Å; F930-D955 HydrophobicContact CE1-CB 3.9Å; R934-D955 IonicContact CZ-OD1 2.76Å; R934-D955 IonicContact NH1-OD1 3.27Å; R934-D955 PolarHBondContact NH1-OD1 3.22Å; D955-R957 VanDerWaalsContact OD2-CD 3.31Å; D955-R957 WeakPolarHBondContact OD2-CD 3.22Å; D955-R957 IonicContact OD2-CZ 2.68Å; D955-R957 IonicContact OD2-NE 2.86Å; D955-R957 IonicContact OD2-NH1 2.73Å; D955-R957 PolarHBondContact OD2-NH1 3.12Å; D955-V1018 PolarHBondContact N-O 3.47Å; D955-V1018 PolarHBondContact O-N 3.07Å
956K89.3Confident91.5Very high69 Ų6952.7 Ų52.730%0.326%0.257SS..EExtended strand (participates in β ladder)trans-132.8113.8172.2-169.8-176.2-172.4-155.90109.4E1015 T1017 E1099K956-E1015 WeakPolarHBondContact CE-OE2 3.45Å; K956-E1015 HydrophobicContact CG-CG 4.36Å; K956-E1015 IonicContact NZ-OE2 2.83Å; K956-E1015 PolarHBondContact NZ-OE2 3.44Å; K956-T1017 HydrophobicContact CB-CG2 4.43Å; K956-T1017 WeakPolarHBondContact CD-OG1 3.43Å; K956-T1017 WeakPolarHBondContact CE-OG1 3.07Å; K956-E1099 IonicContact NZ-OE1 3.76Å; K956-E1099 PolarHBondContact NZ-OE1 3.05Å
957R86.5Confident91.7Very high43 Ų4348.8 Ų48.816%0.16224%0.236CC..EExtended strand (participates in β ladder)trans-166.6-174.5-178.260.6176.4-171.4-138.715.8109.5V928 K929 D955 F959 E1015 V1016V928-R957 PolarHBondContact O-NH1 2.99Å; V928-R957 PolarHBondContact O-NH2 3Å; K929-R957 PolarHBondContact O-NH1 2.86Å; D955-R957 VanDerWaalsContact OD2-CD 3.31Å; D955-R957 WeakPolarHBondContact OD2-CD 3.22Å; D955-R957 IonicContact OD2-CZ 2.68Å; D955-R957 IonicContact OD2-NE 2.86Å; D955-R957 IonicContact OD2-NH1 2.73Å; D955-R957 PolarHBondContact OD2-NH1 3.12Å; R957-F959 HydrophobicContact CB-CE2 4.5Å; R957-F959 HydrophobicContact CG-CD2 3.85Å; R957-F959 HydrophobicContact CG-CE1 4.47Å; R957-F959 HydrophobicContact CG-CE2 3.29Å; R957-F959 HydrophobicContact CG-CZ 3.66Å; R957-F959 VanDerWaalsContact NE-CZ 3.25Å; R957-F959 WeakPolarHBondContact O-CD2 3.36Å; R957-E1015 WeakPolarHBondContact O-CA 3.47Å; R957-V1016 PolarHBondContact N-O 2.89Å; R957-V1016 PolarHBondContact O-N 2.71Å
958K84.3Confident92Very high106 Ų10646 Ų4646%0.46122%0.223SC..EExtended strand (participates in β ladder)trans-76135.5169.8-62.5-160.9172.9-159.90112.1T1013 C1014 E1015K958-T1013 HydrophobicContact CB-CG2 3.94Å; K958-T1013 HydrophobicContact CD-CG2 4.02Å; K958-C1014 CarbonylContact C-O 3.51Å; K958-C1014 WeakPolarHBondContact CA-O 3.49Å; K958-E1015 HydrophobicContact CG-CB 4.33Å
959F87.9Confident92.3Very high11 Ų1144 Ų445%0.04821%0.211CC..EExtended strand (participates in β ladder)trans-137.5163.4176.3-69.3-91.5000109.3R957 L970 I972 T1013 C1014 V1016 V1018R957-F959 HydrophobicContact CB-CE2 4.5Å; R957-F959 HydrophobicContact CG-CD2 3.85Å; R957-F959 HydrophobicContact CG-CE1 4.47Å; R957-F959 HydrophobicContact CG-CE2 3.29Å; R957-F959 HydrophobicContact CG-CZ 3.66Å; R957-F959 VanDerWaalsContact NE-CZ 3.25Å; R957-F959 WeakPolarHBondContact O-CD2 3.36Å; F959-L970 HydrophobicContact CB-CD1 3.61Å; F959-L970 HydrophobicContact CD1-CD1 4.11Å; F959-L970 HydrophobicContact CD2-CD1 4.45Å; F959-L970 HydrophobicContact CG-CD1 3.85Å; F959-I972 HydrophobicContact CD1-CG1 4.16Å; F959-I972 HydrophobicContact CE1-CD1 4.46Å; F959-I972 HydrophobicContact CE1-CG1 4.12Å; F959-I972 HydrophobicContact CE1-CG2 4.41Å; F959-T1013 WeakPolarHBondContact O-CA 3.48Å; F959-C1014 PolarHBondContact N-O 3.07Å; F959-C1014 PolarHBondContact O-N 2.99Å; F959-V1016 HydrophobicContact CD2-CB 4.14Å; F959-V1018 HydrophobicContact CD1-CG2 4.46Å; F959-V1018 HydrophobicContact CD2-CG2 3.6Å; F959-V1018 HydrophobicContact CE1-CG2 4.26Å; F959-V1018 HydrophobicContact CE2-CB 3.96Å; F959-V1018 HydrophobicContact CE2-CG2 3.34Å; F959-V1018 HydrophobicContact CG-CG2 4.16Å; F959-V1018 HydrophobicContact CZ-CB 4.02Å; F959-V1018 HydrophobicContact CZ-CG1 4.49Å; F959-V1018 HydrophobicContact CZ-CG2 3.7Å
960H90Very high92.4Very high77 Ų7739.1 Ų39.136%0.35619%0.188SC..EExtended strand (participates in β ladder)trans-78.6130.2165.2-76.6119.9000109.5S971 S1011 S1012 T1013H960-S971 PolarHBondContact O-N 2.86Å; H960-S1011 PolarHBondContact CD2-O 2.86Å; H960-S1012 CarbonylContact C-O 3.58Å; H960-S1012 WeakPolarHBondContact CA-O 3.37Å; H960-T1013 PolarHBondContact CD2-OG1 3.34Å; H960-T1013 VanDerWaalsContact CD2-OG1 3.24Å; H960-T1013 PolarHBondContact NE2-OG1 3.43Å
961Y93Very high92.4Very high11 Ų1138.7 Ų38.74%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-148.3147.4-174174.7-89.3000111.7E963 Q968 V969 S1012 V1016 I1100 F1102Y961-E963 HydrophobicContact CE1-CB 4.19Å; Y961-E963 HydrophobicContact CE1-CG 4.06Å; Y961-E963 PolarHBondContact OH-OE1 3.11Å; Y961-Q968 HydrophobicContact CE2-CB 4.13Å; Y961-Q968 PolarHBondContact OH-NE2 3.03Å; Y961-V969 VanDerWaalsContact CA-O 3.26Å; Y961-V969 WeakPolarHBondContact CA-O 2.99Å; Y961-V969 WeakPolarHBondContact CD2-O 3.36Å; Y961-S1012 PolarHBondContact N-O 2.88Å; Y961-S1012 PolarHBondContact O-N 2.81Å; Y961-V1016 HydrophobicContact CD2-CG2 4.18Å; Y961-V1016 HydrophobicContact CG-CG2 4.16Å; Y961-I1100 HydrophobicContact CD1-CD1 4.49Å; Y961-I1100 HydrophobicContact CD1-CG2 4.47Å; Y961-I1100 HydrophobicContact CD2-CG2 4.37Å; Y961-I1100 HydrophobicContact CE1-CD1 4.35Å; Y961-I1100 HydrophobicContact CE1-CG2 3.94Å; Y961-I1100 HydrophobicContact CE2-CG2 3.8Å; Y961-F1102 HydrophobicContact CE2-CD2 4.26Å
962T93.5Very high92.4Very high22 Ų2236.8 Ų36.814%0.13517%0.174CC..EExtended strand (participates in β ladder)trans-148.8168.4162-171.40000109.6V969 L1007 E1010T962-V969 HydrophobicContact CG2-CB 3.87Å; T962-V969 HydrophobicContact CG2-CG1 4.48Å; T962-V969 HydrophobicContact CG2-CG2 4.12Å; T962-V969 PolarHBondContact N-O 2.89Å; T962-V969 VanDerWaalsContact N-O 3.14Å; T962-V969 PolarHBondContact O-N 3.37Å; T962-L1007 HydrophobicContact CG2-CD2 4.15Å; T962-L1007 WeakPolarHBondContact CG2-O 3.43Å; T962-E1010 HydrophobicContact CG2-CB 4.4Å
963E93.7Very high92.2Very high94 Ų9437.9 Ų37.944%0.43918%0.183SC..EExtended strand (participates in β ladder)trans-152.4140.4174.166.9179.7120.900112.4Y961 C967 Q968 K987Y961-E963 HydrophobicContact CE1-CB 4.19Å; Y961-E963 HydrophobicContact CE1-CG 4.06Å; Y961-E963 PolarHBondContact OH-OE1 3.11Å; E963-C967 WeakPolarHBondContact CA-O 3.21Å; E963-C967 WeakPolarHBondContact CB-O 3.38Å; E963-Q968 HydrophobicContact CB-CG 4.3Å; E963-K987 WeakPolarHBondContact OE2-CE 3.34Å; E963-K987 IonicContact OE2-NZ 3.12Å; E963-K987 PolarHBondContact OE2-NZ 3.45Å
964D91.7Very high91.8Very high43 Ų4337.9 Ų37.923%0.2318%0.183CC..  trans-112.5-165.2175.370.415.5000111D966 C967 K987 H1003 L1007D964-D966 VanDerWaalsContact C-N 3.29Å; D964-D966 PolarHBondContact O-N 2.9Å; D964-D966 WeakPolarHBondContact OD1-CA 3.31Å; D964-D966 PolarHBondContact OD1-N 3.1Å; D964-C967 PolarHBondContact N-O 3.45Å; D964-C967 VanDerWaalsContact N-O 3.11Å; D964-C967 PolarHBondContact OD1-N 3.25Å; D964-C967 PolarHBondContact OD1-SG 3Å; D964-K987 PolarHBondContact O-NZ 2.79Å; D964-H1003 IonicContact OD2-CE1 2.74Å; D964-H1003 IonicContact OD2-NE2 2.81Å; D964-H1003 PolarHBondContact OD2-NE2 2.84Å; D964-L1007 HydrophobicContact CB-CD2 4.42Å
965E90.9Very high91.3Very high181 Ų18140.5 Ų40.585%0.84619%0.192SC*.SBendtrans-70.9-19.4178.8-65.5-162.8160.700114.5
966D92.5Very high90.6Very high33 Ų3341.4 Ų41.418%0.17620%0.204CC..SBendtrans-113.6-21.3-173.2-91.2-35000114.1D964 P986 K987 K988 F995 K998D964-D966 VanDerWaalsContact C-N 3.29Å; D964-D966 PolarHBondContact O-N 2.9Å; D964-D966 WeakPolarHBondContact OD1-CA 3.31Å; D964-D966 PolarHBondContact OD1-N 3.1Å; D966-P986 CarbonylContact O-C 3.52Å; D966-K987 PolarHBondContact O-N 3.49Å; D966-K988 IonicContact OD1-NZ 2.61Å; D966-K988 PolarHBondContact OD1-NZ 3.04Å; D966-F995 HydrophobicContact CB-CD2 4.32Å; D966-F995 HydrophobicContact CB-CE2 4.19Å; D966-K998 IonicContact OD1-NZ 3.32Å; D966-K998 IonicContact OD2-NZ 2.85Å; D966-K998 PolarHBondContact OD2-NZ 3Å
967C95.5Very high90.1Very high0 Ų042.8 Ų42.80%022%0.215CC..EExtended strand (participates in β ladder)trans-144.6165.9-177.570.30000115.5E963 D964 V984 L985 K987 F995E963-C967 WeakPolarHBondContact CA-O 3.21Å; E963-C967 WeakPolarHBondContact CB-O 3.38Å; D964-C967 PolarHBondContact N-O 3.45Å; D964-C967 VanDerWaalsContact N-O 3.11Å; D964-C967 PolarHBondContact OD1-N 3.25Å; D964-C967 PolarHBondContact OD1-SG 3Å; C967-V984 HydrophobicContact CB-CG1 3.94Å; C967-L985 CarbonylContact C-O 3.47Å; C967-L985 VanDerWaalsContact CA-O 3.25Å; C967-L985 WeakPolarHBondContact CA-O 3.03Å; C967-L985 WeakPolarHBondContact CB-O 3.46Å; C967-K987 WeakPolarHBondContact O-CE 3.38Å; C967-K987 PolarHBondContact O-NZ 3.43Å; C967-F995 HydrophobicContact CB-CE2 3.66Å; C967-F995 HydrophobicContact CB-CZ 3.62Å
968Q96.6Very high90Very high33 Ų3344 Ų4415%0.15422%0.223CC..EExtended strand (participates in β ladder)trans-110.7148160.2-60.7178.6-89.300108.5Y961 E963 L985 K987 Y1101 F1102Y961-Q968 HydrophobicContact CE2-CB 4.13Å; Y961-Q968 PolarHBondContact OH-NE2 3.03Å; E963-Q968 HydrophobicContact CB-CG 4.3Å; Q968-L985 PolarHBondContact N-O 3.27Å; Q968-L985 PolarHBondContact O-N 3.17Å; Q968-K987 HydrophobicContact CG-CG 4.22Å; Q968-Y1101 PolarHBondContact NE2-O 3.27Å; Q968-F1102 HydrophobicContact CB-CD2 3.84Å; Q968-F1102 HydrophobicContact CB-CE2 3.84Å
969V97.2Very high90.1Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-126.6129.3179.2-175.50000109.7Y961 T962 Y982 I983 V984 L1007 F1008Y961-V969 VanDerWaalsContact CA-O 3.26Å; Y961-V969 WeakPolarHBondContact CA-O 2.99Å; Y961-V969 WeakPolarHBondContact CD2-O 3.36Å; T962-V969 HydrophobicContact CG2-CB 3.87Å; T962-V969 HydrophobicContact CG2-CG1 4.48Å; T962-V969 HydrophobicContact CG2-CG2 4.12Å; T962-V969 PolarHBondContact N-O 2.89Å; T962-V969 VanDerWaalsContact N-O 3.14Å; T962-V969 PolarHBondContact O-N 3.37Å; V969-Y982 HydrophobicContact CG1-CD1 3.95Å; V969-I983 WeakPolarHBondContact CA-O 3.41Å; V969-V984 HydrophobicContact CG1-CG2 4.19Å; V969-V984 HydrophobicContact CG2-CG1 4.21Å; V969-V984 HydrophobicContact CG2-CG2 4.11Å; V969-L1007 HydrophobicContact CG2-CB 4.2Å; V969-L1007 HydrophobicContact CG2-CD1 4.07Å; V969-L1007 HydrophobicContact CG2-CD2 4.07Å; V969-L1007 HydrophobicContact CG2-CG 4.36Å; V969-F1008 HydrophobicContact CG1-CD1 4.43Å
970L96.8Very high90.3Very high0 Ų038.5 Ų38.50%020%0.199CC..EExtended strand (participates in β ladder)trans-122.4136.3175.7179.673.8000109.9F959 I972 Y982 I983 V1016 V1018 I1020 F1102F959-L970 HydrophobicContact CB-CD1 3.61Å; F959-L970 HydrophobicContact CD1-CD1 4.11Å; F959-L970 HydrophobicContact CD2-CD1 4.45Å; F959-L970 HydrophobicContact CG-CD1 3.85Å; L970-I972 HydrophobicContact CD2-CD1 4.02Å; L970-I972 HydrophobicContact CD2-CG1 4.13Å; L970-I972 HydrophobicContact CG-CG1 4.23Å; L970-Y982 CarbonylContact O-C 3.58Å; L970-Y982 VanDerWaalsContact O-CA 3.31Å; L970-Y982 WeakPolarHBondContact O-CA 3.47Å; L970-I983 PolarHBondContact N-O 2.81Å; L970-I983 PolarHBondContact O-N 2.74Å; L970-V1016 HydrophobicContact CD1-CG1 4.5Å; L970-V1018 HydrophobicContact CD1-CG2 3.73Å; L970-V1018 HydrophobicContact CD2-CB 4.2Å; L970-V1018 HydrophobicContact CD2-CG1 3.48Å; L970-V1018 VanDerWaalsContact CD2-CG1 3.48Å; L970-V1018 HydrophobicContact CD2-CG2 3.59Å; L970-V1018 HydrophobicContact CG-CG2 4.33Å; L970-I1020 HydrophobicContact CD2-CG2 4.47Å; L970-F1102 HydrophobicContact CB-CD1 3.94Å; L970-F1102 HydrophobicContact CB-CD2 3.81Å; L970-F1102 HydrophobicContact CB-CE1 3.78Å; L970-F1102 HydrophobicContact CB-CE2 3.64Å; L970-F1102 HydrophobicContact CB-CG 3.94Å; L970-F1102 HydrophobicContact CB-CZ 3.62Å; L970-F1102 HydrophobicContact CD2-CD1 3.58Å; L970-F1102 HydrophobicContact CD2-CE1 3.83Å; L970-F1102 HydrophobicContact CD2-CG 4.1Å; L970-F1102 HydrophobicContact CG-CD1 4.34Å; L970-F1102 HydrophobicContact CG-CE1 4.47Å; L970-F1102 HydrophobicContact CG-CG 4.49Å
971S95.3Very high90.6Very high4 Ų434.9 Ų34.93%0.02818%0.182CC..EExtended strand (participates in β ladder)trans-120.7130.8174.9165.80000112.2H960 L981 Y982H960-S971 PolarHBondContact O-N 2.86Å; S971-L981 WeakPolarHBondContact CA-O 3.39Å; S971-Y982 VanDerWaalsContact CB-CE1 3.44Å
972I93.7Very high90.7Very high2 Ų234.5 Ų34.51%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-124.7105-177.1-47179.2000108.3W926 F930 F959 L970 A980 L981 I1020W926-I972 HydrophobicContact CD2-CG2 3.9Å; W926-I972 HydrophobicContact CE3-CB 4.19Å; W926-I972 HydrophobicContact CE3-CG2 3.44Å; W926-I972 VanDerWaalsContact CE3-CG2 3.44Å; W926-I972 HydrophobicContact CH2-CG2 4.36Å; W926-I972 HydrophobicContact CZ3-CB 3.94Å; W926-I972 HydrophobicContact CZ3-CG2 3.69Å; F930-I972 HydrophobicContact CE2-CD1 4.18Å; F930-I972 HydrophobicContact CZ-CD1 4.03Å; F959-I972 HydrophobicContact CD1-CG1 4.16Å; F959-I972 HydrophobicContact CE1-CD1 4.46Å; F959-I972 HydrophobicContact CE1-CG1 4.12Å; F959-I972 HydrophobicContact CE1-CG2 4.41Å; L970-I972 HydrophobicContact CD2-CD1 4.02Å; L970-I972 HydrophobicContact CD2-CG1 4.13Å; L970-I972 HydrophobicContact CG-CG1 4.23Å; I972-A980 WeakPolarHBondContact O-CA 3.5Å; I972-L981 PolarHBondContact N-O 3.3Å; I972-L981 PolarHBondContact O-N 3.06Å; I972-I1020 HydrophobicContact CD1-CD1 3.69Å
973A90.4Very high90.9Very high25 Ų2533.5 Ų33.521%0.20717%0.174CC..EExtended strand (participates in β ladder)trans-67.2140.6-177.900000112.8A927A927-A973 HydrophobicContact CB-CB 4.13Å; A927-A973 WeakPolarHBondContact CB-O 3.5Å; A927-A973 PolarHBondContact N-O 2.6Å
974Y87.7Confident91Very high0 Ų029 Ų290%015%0.153CC..BIsolated β-bridgetrans-82.1160.3165.3-66.1-70.1000110.7F922 G924 D925 W926 N977 L979 L981 T1078 I1112F922-Y974 HydrophobicContact CE1-CD1 4.47Å; F922-Y974 HydrophobicContact CE1-CD2 4.38Å; F922-Y974 AromaticContact CE1-CE1 3.93Å; F922-Y974 HydrophobicContact CE1-CE1 3.93Å; F922-Y974 AromaticContact CE1-CE2 3.82Å; F922-Y974 HydrophobicContact CE1-CE2 3.82Å; F922-Y974 AromaticContact CE1-CZ 3.56Å; F922-Y974 HydrophobicContact CZ-CD1 4.36Å; F922-Y974 AromaticContact CZ-CD2 3.95Å; F922-Y974 HydrophobicContact CZ-CD2 3.95Å; F922-Y974 HydrophobicContact CZ-CE1 4.25Å; F922-Y974 AromaticContact CZ-CE2 3.82Å; F922-Y974 HydrophobicContact CZ-CE2 3.82Å; F922-Y974 HydrophobicContact CZ-CG 4.22Å; F922-Y974 AromaticContact CZ-CZ 3.98Å; G924-Y974 VanDerWaalsContact O-CD1 3.26Å; G924-Y974 WeakPolarHBondContact O-CD1 3.26Å; G924-Y974 WeakPolarHBondContact O-CE1 3.36Å; D925-Y974 CarbonylContact O-C 3.54Å; D925-Y974 WeakPolarHBondContact O-CA 3.37Å; W926-Y974 HydrophobicContact CD2-CE1 4.42Å; W926-Y974 AromaticContact CE3-CD1 3.76Å; W926-Y974 HydrophobicContact CE3-CD1 3.76Å; W926-Y974 AromaticContact CE3-CE1 3.6Å; W926-Y974 HydrophobicContact CE3-CE1 3.6Å; W926-Y974 AromaticContact CH2-CE1 3.77Å; W926-Y974 HydrophobicContact CH2-CE1 3.77Å; W926-Y974 AromaticContact CH2-CZ 3.9Å; W926-Y974 AromaticContact CZ3-CD1 3.82Å; W926-Y974 HydrophobicContact CZ3-CD1 3.82Å; W926-Y974 AromaticContact CZ3-CE1 3.23Å; W926-Y974 HydrophobicContact CZ3-CE1 3.23Å; W926-Y974 HydrophobicContact CZ3-CE2 4.25Å; W926-Y974 AromaticContact CZ3-CZ 3.48Å; W926-Y974 VanDerWaalsContact CZ3-CZ 3.48Å; Y974-N977 PolarHBondContact O-N 3.13Å; Y974-L979 HydrophobicContact CD2-CB 3.82Å; Y974-L979 PolarHBondContact N-O 2.73Å; Y974-L981 HydrophobicContact CE2-CB 4.21Å; Y974-T1078 PolarHBondContact OH-OG1 2.69Å; Y974-I1112 HydrophobicContact CE2-CG1 4.47Å; Y974-I1112 HydrophobicContact CE2-CG2 4.17Å
975K81.2Confident91.3Very high84 Ų8427.2 Ų27.237%0.36514%0.143SC..THydrogen-bonded Turntrans-53.7144.8172.4-177.7175.8177.5-1690110K838 D925 N977K838-K975 CarbonylContact O-C 3.58Å; K838-K975 VanDerWaalsContact O-O 3.05Å; D925-K975 HydrophobicContact CB-CB 4.44Å; D925-K975 PolarHBondContact O-N 3.08Å; K975-N977 PolarHBondContact O-N 3.09Å
976G74.8Confident91.5Very high32 Ų3218.8 Ų18.833%0.3311%0.105SC..THydrogen-bonded Turntrans86-19.9-17100000114.1E978G976-E978 PolarHBondContact O-N 2.98Å
977N79.6Confident91.6Very high97 Ų9721.2 Ų21.252%0.51911%0.114SC..SBendtrans55.523.6-178.3-55.8-56.6000115Y974 K975 L1115Y974-N977 PolarHBondContact O-N 3.13Å; K975-N977 PolarHBondContact O-N 3.09Å; N977-L1115 WeakPolarHBondContact O-CD1 3.29Å
978E83Confident91.5Very high70 Ų7025.5 Ų25.533%0.32713%0.132SC..SBendtrans-86.8-25.6170-63.1-176.7-17200111.8K838 Y840 G976 L1115K838-E978 IonicContact NZ-OE1 3.09Å; K838-E978 PolarHBondContact NZ-OE1 3.37Å; K838-E978 IonicContact NZ-OE2 2.71Å; K838-E978 PolarHBondContact NZ-OE2 2.84Å; Y840-E978 HydrophobicContact CE1-CB 4.38Å; Y840-E978 PolarHBondContact OH-OE2 2.76Å; G976-E978 PolarHBondContact O-N 2.98Å; E978-L1115 PolarHBondContact O-N 3.43Å
979L88.3Confident91.2Very high1 Ų128.2 Ų28.21%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-128.6152.2-178.8-58.2-179.5000111.6Y840 F922 Y974 V1113 E1114 L1121Y840-L979 HydrophobicContact CD1-CD1 4.19Å; Y840-L979 HydrophobicContact CD2-CD1 3.65Å; Y840-L979 HydrophobicContact CE1-CD1 4.08Å; Y840-L979 HydrophobicContact CE1-CG 4.23Å; Y840-L979 HydrophobicContact CE2-CD1 3.51Å; Y840-L979 HydrophobicContact CE2-CG 4.36Å; Y840-L979 HydrophobicContact CG-CD1 3.99Å; F922-L979 HydrophobicContact CD2-CD1 4.49Å; F922-L979 HydrophobicContact CE2-CD1 3.53Å; F922-L979 HydrophobicContact CZ-CD1 4.06Å; Y974-L979 HydrophobicContact CD2-CB 3.82Å; Y974-L979 PolarHBondContact N-O 2.73Å; L979-V1113 VanDerWaalsContact CA-O 3.3Å; L979-V1113 WeakPolarHBondContact CA-O 3.2Å; L979-E1114 HydrophobicContact CD2-CB 4.2Å; L979-E1114 HydrophobicContact CD2-CG 4.38Å; L979-L1121 HydrophobicContact CD1-CD2 4.13Å; L979-L1121 HydrophobicContact CD2-CD1 4.28Å; L979-L1121 HydrophobicContact CD2-CD2 3.86Å
980A91.6Very high90.8Very high0 Ų032.7 Ų32.70%016%0.161CC..EExtended strand (participates in β ladder)trans-136.9155.5166.800000112.9I972 Y982 I1112 V1113 L1115I972-A980 WeakPolarHBondContact O-CA 3.5Å; A980-Y982 HydrophobicContact CB-CD2 4.18Å; A980-Y982 HydrophobicContact CB-CE2 3.9Å; A980-I1112 WeakPolarHBondContact O-CA 3.24Å; A980-V1113 PolarHBondContact N-O 2.62Å; A980-V1113 PolarHBondContact O-N 3.14Å; A980-L1115 HydrophobicContact CB-CD1 4.14Å; A980-L1115 HydrophobicContact CB-CD2 3.99Å; A980-L1115 HydrophobicContact CB-CG 4.36Å
981L94.8Very high90.4Very high0 Ų037.1 Ų37.10%018%0.181CC..EExtended strand (participates in β ladder)trans-85.2115.2159.6-178.569.8000108.7W926 S971 I972 Y974 I983 V1073 F1110 I1112W926-L981 HydrophobicContact CH2-CB 3.79Å; W926-L981 HydrophobicContact CH2-CD2 3.68Å; W926-L981 HydrophobicContact CH2-CG 4.36Å; W926-L981 HydrophobicContact CZ2-CD2 4.49Å; W926-L981 HydrophobicContact CZ3-CB 3.8Å; S971-L981 WeakPolarHBondContact CA-O 3.39Å; I972-L981 PolarHBondContact N-O 3.3Å; I972-L981 PolarHBondContact O-N 3.06Å; Y974-L981 HydrophobicContact CE2-CB 4.21Å; L981-I983 HydrophobicContact CD2-CD1 4.01Å; L981-I983 HydrophobicContact CD2-CG1 4.02Å; L981-I983 HydrophobicContact CG-CG1 4.08Å; L981-V1073 HydrophobicContact CD2-CG1 4.35Å; L981-V1073 HydrophobicContact CD2-CG2 4.43Å; L981-F1110 HydrophobicContact CD1-CB 4.17Å; L981-F1110 HydrophobicContact CD1-CD2 3.91Å; L981-I1112 HydrophobicContact CD1-CG1 3.96Å
982Y96.2Very high90.2Very high3 Ų337.6 Ų37.61%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-91.4137.3163.9-76.2-102.1000109.6V969 L970 S971 A980 F1008 S1011 F1110 C1111 V1113 L1115V969-Y982 HydrophobicContact CG1-CD1 3.95Å; L970-Y982 CarbonylContact O-C 3.58Å; L970-Y982 VanDerWaalsContact O-CA 3.31Å; L970-Y982 WeakPolarHBondContact O-CA 3.47Å; S971-Y982 VanDerWaalsContact CB-CE1 3.44Å; A980-Y982 HydrophobicContact CB-CD2 4.18Å; A980-Y982 HydrophobicContact CB-CE2 3.9Å; Y982-F1008 HydrophobicContact CD1-CB 4.03Å; Y982-F1008 AromaticContact CD1-CD1 3.21Å; Y982-F1008 HydrophobicContact CD1-CD1 3.21Å; Y982-F1008 AromaticContact CD1-CE1 3.82Å; Y982-F1008 HydrophobicContact CD1-CE1 3.82Å; Y982-F1008 AromaticContact CD1-CG 3.76Å; Y982-F1008 HydrophobicContact CD1-CG 3.76Å; Y982-F1008 HydrophobicContact CD2-CD1 4.48Å; Y982-F1008 HydrophobicContact CD2-CG 4.5Å; Y982-F1008 HydrophobicContact CE1-CB 3.58Å; Y982-F1008 AromaticContact CE1-CD1 3.71Å; Y982-F1008 HydrophobicContact CE1-CD1 3.71Å; Y982-F1008 AromaticContact CE1-CG 3.86Å; Y982-F1008 HydrophobicContact CE1-CG 3.86Å; Y982-F1008 HydrophobicContact CE2-CB 4.48Å; Y982-F1008 AromaticContact CG-CD1 3.67Å; Y982-F1008 HydrophobicContact CG-CD1 3.67Å; Y982-F1008 AromaticContact CG-CE1 3.9Å; Y982-F1008 HydrophobicContact CG-CE1 3.9Å; Y982-F1008 HydrophobicContact CG-CG 4.1Å; Y982-F1008 PolarHBondContact OH-O 2.86Å; Y982-S1011 PolarHBondContact OH-OG 2.85Å; Y982-F1110 CarbonylContact O-C 3.51Å; Y982-F1110 VanDerWaalsContact O-CA 3.24Å; Y982-F1110 WeakPolarHBondContact O-CA 3.35Å; Y982-C1111 PolarHBondContact N-O 3.46Å; Y982-C1111 PolarHBondContact O-N 3.11Å; Y982-V1113 HydrophobicContact CD2-CB 3.63Å; Y982-V1113 HydrophobicContact CD2-CG1 4.29Å; Y982-V1113 HydrophobicContact CD2-CG2 3.53Å; Y982-V1113 HydrophobicContact CE2-CB 3.85Å; Y982-V1113 HydrophobicContact CE2-CG1 4.13Å; Y982-V1113 HydrophobicContact CE2-CG2 4.2Å; Y982-V1113 HydrophobicContact CG-CG2 4.16Å; Y982-L1115 HydrophobicContact CE2-CD2 3.9Å
983I96.9Very high89.9Confident1 Ų142.2 Ų42.21%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-122.6120.7171.1-53.2175.7000107.3V969 L970 L981 I1020 F1102 F1108 L1109 F1110V969-I983 WeakPolarHBondContact CA-O 3.41Å; L970-I983 PolarHBondContact N-O 2.81Å; L970-I983 PolarHBondContact O-N 2.74Å; L981-I983 HydrophobicContact CD2-CD1 4.01Å; L981-I983 HydrophobicContact CD2-CG1 4.02Å; L981-I983 HydrophobicContact CG-CG1 4.08Å; I983-I1020 HydrophobicContact CD1-CB 4.32Å; I983-I1020 HydrophobicContact CD1-CD1 4.02Å; I983-I1020 HydrophobicContact CD1-CG2 3.82Å; I983-F1102 HydrophobicContact CB-CE1 4.1Å; I983-F1102 HydrophobicContact CB-CZ 3.86Å; I983-F1102 HydrophobicContact CG2-CE1 3.94Å; I983-F1102 HydrophobicContact CG2-CZ 3.73Å; I983-F1102 WeakPolarHBondContact O-CZ 3.39Å; I983-F1108 HydrophobicContact CG2-CB 4.19Å; I983-F1108 HydrophobicContact CG2-CD1 4.47Å; I983-F1108 HydrophobicContact CG2-CD2 3.6Å; I983-F1108 HydrophobicContact CG2-CE2 4.03Å; I983-F1108 HydrophobicContact CG2-CG 3.86Å; I983-L1109 WeakPolarHBondContact CA-O 3.42Å; I983-F1110 HydrophobicContact CG1-CB 4.46Å
984V96.9Very high89.8Confident1 Ų145.9 Ų45.91%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-107.8106.7177.4-178.30000107.8C967 V969 F995 L1004 F1008 L1109C967-V984 HydrophobicContact CB-CG1 3.94Å; V969-V984 HydrophobicContact CG1-CG2 4.19Å; V969-V984 HydrophobicContact CG2-CG1 4.21Å; V969-V984 HydrophobicContact CG2-CG2 4.11Å; V984-F995 HydrophobicContact CG1-CE1 3.86Å; V984-F995 HydrophobicContact CG1-CZ 3.58Å; V984-L1004 HydrophobicContact CG2-CD2 4.24Å; V984-F1008 HydrophobicContact CG2-CE1 3.86Å; V984-L1109 HydrophobicContact CB-CB 4.19Å; V984-L1109 PolarHBondContact N-O 3.23Å; V984-L1109 PolarHBondContact O-N 2.9Å
985L97Very high90Very high4 Ų446.6 Ų46.62%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-102.5114.4-172.9-179.266.3000109.8C967 Q968 K987 F1102 V1103 A1104 F1108C967-L985 CarbonylContact C-O 3.47Å; C967-L985 VanDerWaalsContact CA-O 3.25Å; C967-L985 WeakPolarHBondContact CA-O 3.03Å; C967-L985 WeakPolarHBondContact CB-O 3.46Å; Q968-L985 PolarHBondContact N-O 3.27Å; Q968-L985 PolarHBondContact O-N 3.17Å; L985-K987 PolarHBondContact O-N 3.46Å; L985-F1102 HydrophobicContact CB-CE2 3.7Å; L985-F1102 HydrophobicContact CB-CZ 3.63Å; L985-F1102 HydrophobicContact CD2-CD2 4.38Å; L985-F1102 HydrophobicContact CD2-CE1 4.41Å; L985-F1102 HydrophobicContact CD2-CE2 4.15Å; L985-F1102 HydrophobicContact CD2-CZ 4.17Å; L985-V1103 WeakPolarHBondContact CD2-O 3.39Å; L985-A1104 HydrophobicContact CD1-CB 4.3Å; L985-F1108 HydrophobicContact CD1-CB 3.96Å
986P96.5Very high90.5Very high5 Ų543 Ų433%0.03221%0.205CC..EExtended strand (participates in β ladder)trans-62134.1176.4-20.732.5000111.1D966 K988 M992 F995 H1106D966-P986 CarbonylContact O-C 3.52Å; P986-K988 PolarHBondContact O-N 3.13Å; P986-K988 VanDerWaalsContact O-N 3.12Å; P986-M992 HydrophobicContact CG-SD 3.88Å; P986-F995 HydrophobicContact CB-CD1 4.48Å; P986-F995 HydrophobicContact CB-CD2 4.35Å; P986-F995 HydrophobicContact CB-CG 4.21Å; P986-F995 HydrophobicContact CG-CB 4.38Å; P986-F995 HydrophobicContact CG-CD1 3.75Å; P986-F995 HydrophobicContact CG-CD2 4.46Å; P986-F995 HydrophobicContact CG-CE1 4.12Å; P986-F995 HydrophobicContact CG-CG 3.94Å; P986-H1106 PolarHBondContact O-NE2 3.24Å
987K94.7Very high91.1Very high84 Ų8444.3 Ų44.337%0.36521%0.209SC..SBendtrans-67.6-11.3176.1-76.1171.8169.51750113.3E963 D964 D966 C967 Q968 L985E963-K987 WeakPolarHBondContact OE2-CE 3.34Å; E963-K987 IonicContact OE2-NZ 3.12Å; E963-K987 PolarHBondContact OE2-NZ 3.45Å; D964-K987 PolarHBondContact O-NZ 2.79Å; D966-K987 PolarHBondContact O-N 3.49Å; C967-K987 WeakPolarHBondContact O-CE 3.38Å; C967-K987 PolarHBondContact O-NZ 3.43Å; Q968-K987 HydrophobicContact CG-CG 4.22Å; L985-K987 PolarHBondContact O-N 3.46Å
988K91.9Very high91.6Very high89 Ų8946 Ų4639%0.38721%0.212SC..SBendtrans-117.7102.6-177.6-66.7158.2-167.6152.30109.6D966 P986 Q991D966-K988 IonicContact OD1-NZ 2.61Å; D966-K988 PolarHBondContact OD1-NZ 3.04Å; P986-K988 PolarHBondContact O-N 3.13Å; P986-K988 VanDerWaalsContact O-N 3.12Å; K988-Q991 HydrophobicContact CB-CB 4.28Å; K988-Q991 HydrophobicContact CB-CG 4.32Å; K988-Q991 PolarHBondContact O-N 2.76Å
989R90.7Very high92Very high90 Ų9043 Ų4334%0.3420%0.199SC..THydrogen-bonded Turntrans-51.5145174.2-64.4-154.5-177.6137.74.1111.2Y941 Q991 D1105 H1106Y941-R989 VanDerWaalsContact CE2-NH2 3.34Å; R989-Q991 PolarHBondContact O-N 2.97Å; R989-D1105 IonicContact CZ-OD1 2.68Å; R989-D1105 VanDerWaalsContact CZ-OD1 3.31Å; R989-D1105 IonicContact CZ-OD2 3.81Å; R989-D1105 IonicContact NE-OD1 2.68Å; R989-D1105 PolarHBondContact NE-OD1 3.47Å; R989-D1105 IonicContact NE-OD2 3.23Å; R989-D1105 IonicContact NH2-OD1 3.41Å; R989-D1105 PolarHBondContact NH2-OD1 3.33Å; R989-D1105 VanDerWaalsContact NH2-OD1 3.08Å; R989-D1105 IonicContact NH2-OD2 2.7Å; R989-D1105 PolarHBondContact NH2-OD2 3.45Å; R989-H1106 HydrophobicContact CG-CB 4.21Å
990F89.4Confident92.1Very high95 Ų9545.5 Ų45.542%0.41721%0.213SC..THydrogen-bonded Turntrans65.313.8174.4-33.6-59000116S943 A944S943-F990 WeakPolarHBondContact O-CZ 3.23Å; A944-F990 HydrophobicContact CB-CD2 4.46Å; A944-F990 HydrophobicContact CB-CE2 3.99Å
991Q88.3Confident91.8Very high93 Ų9345.5 Ų45.544%0.43521%0.214SC..  trans-110.828.7177.9-63.9-178.635.400113.2K988 R989 E993 Q994 F995K988-Q991 HydrophobicContact CB-CB 4.28Å; K988-Q991 HydrophobicContact CB-CG 4.32Å; K988-Q991 PolarHBondContact O-N 2.76Å; R989-Q991 PolarHBondContact O-N 2.97Å; Q991-E993 PolarHBondContact O-N 3.29Å; Q991-Q994 VanDerWaalsContact C-OE1 3.28Å; Q991-Q994 VanDerWaalsContact CA-OE1 3.23Å; Q991-Q994 PolarHBondContact O-N 3.47Å; Q991-Q994 PolarHBondContact O-OE1 3.05Å; Q991-F995 WeakPolarHBondContact O-CB 3Å; Q991-F995 PolarHBondContact O-N 3.04Å
992M90.4Very high91.3Very high14 Ų1449.8 Ų49.87%0.06923%0.234CC..Hα-helixtrans-60.4-40-173.3-167.766.4-176.100113.3P986 F995 E996 L1109 R1125P986-M992 HydrophobicContact CG-SD 3.88Å; M992-F995 PolarHBondContact O-N 3.04Å; M992-E996 HydrophobicContact CE-CG 4.19Å; M992-E996 WeakPolarHBondContact CE-OE1 3.42Å; M992-E996 WeakPolarHBondContact O-CB 3.36Å; M992-E996 WeakPolarHBondContact O-CG 3.38Å; M992-E996 PolarHBondContact O-N 3.03Å; M992-L1109 HydrophobicContact CE-CB 4.4Å; M992-L1109 HydrophobicContact CE-CD2 3.46Å; M992-L1109 VanDerWaalsContact CE-CD2 3.46Å; M992-L1109 HydrophobicContact CE-CG 3.58Å; M992-R1125 HydrophobicContact CE-CB 4.14Å; M992-R1125 HydrophobicContact CE-CG 4.02Å
993E86.9Confident90.9Very high99 Ų9952.8 Ų52.846%0.46325%0.248SC..Hα-helixtrans-65.6-41.4176.7-177.3177.8172.100111.4K775 Q991 F995 S997K775-E993 WeakPolarHBondContact CD-OE2 3.27Å; K775-E993 WeakPolarHBondContact CE-OE1 3.33Å; K775-E993 WeakPolarHBondContact CE-OE2 3.12Å; K775-E993 IonicContact NZ-OE1 2.66Å; K775-E993 PolarHBondContact NZ-OE1 2.93Å; K775-E993 IonicContact NZ-OE2 2.83Å; K775-E993 PolarHBondContact NZ-OE2 2.71Å; Q991-E993 PolarHBondContact O-N 3.29Å; E993-F995 VanDerWaalsContact C-N 3.33Å; E993-S997 VanDerWaalsContact O-CB 3.25Å; E993-S997 WeakPolarHBondContact O-CB 3.47Å; E993-S997 PolarHBondContact O-N 3.14Å
994Q88.7Confident90.5Very high102 Ų10252.9 Ų52.948%0.47725%0.248SC..Hα-helixtrans-65.8-39.4177.1-6576.913.200110.9Q991 S997 K998Q991-Q994 VanDerWaalsContact C-OE1 3.28Å; Q991-Q994 VanDerWaalsContact CA-OE1 3.23Å; Q991-Q994 PolarHBondContact O-N 3.47Å; Q991-Q994 PolarHBondContact O-OE1 3.05Å; Q994-S997 PolarHBondContact O-N 3.12Å; Q994-S997 PolarHBondContact O-OG 3.19Å; Q994-K998 PolarHBondContact O-N 3.16Å
995F91.9Very high90.1Very high15 Ų1554 Ų547%0.06625%0.254CS..Hα-helixtrans-62.3-54.7175.9-175.2-108.3000112D966 C967 V984 P986 Q991 M992 E993 S997 K998 M999 L1109D966-F995 HydrophobicContact CB-CD2 4.32Å; D966-F995 HydrophobicContact CB-CE2 4.19Å; C967-F995 HydrophobicContact CB-CE2 3.66Å; C967-F995 HydrophobicContact CB-CZ 3.62Å; V984-F995 HydrophobicContact CG1-CE1 3.86Å; V984-F995 HydrophobicContact CG1-CZ 3.58Å; P986-F995 HydrophobicContact CB-CD1 4.48Å; P986-F995 HydrophobicContact CB-CD2 4.35Å; P986-F995 HydrophobicContact CB-CG 4.21Å; P986-F995 HydrophobicContact CG-CB 4.38Å; P986-F995 HydrophobicContact CG-CD1 3.75Å; P986-F995 HydrophobicContact CG-CD2 4.46Å; P986-F995 HydrophobicContact CG-CE1 4.12Å; P986-F995 HydrophobicContact CG-CG 3.94Å; Q991-F995 WeakPolarHBondContact O-CB 3Å; Q991-F995 PolarHBondContact O-N 3.04Å; M992-F995 PolarHBondContact O-N 3.04Å; E993-F995 VanDerWaalsContact C-N 3.33Å; F995-S997 PolarHBondContact O-N 2.91Å; F995-K998 PolarHBondContact O-N 2.93Å; F995-K998 VanDerWaalsContact O-N 3.12Å; F995-M999 HydrophobicContact CE1-CE 3.99Å; F995-M999 HydrophobicContact CE2-CE 3.89Å; F995-M999 HydrophobicContact CZ-CE 3.37Å; F995-M999 PolarHBondContact O-N 2.8Å; F995-M999 VanDerWaalsContact O-N 3.08Å; F995-L1109 HydrophobicContact CD1-CD1 4.46Å; F995-L1109 HydrophobicContact CE1-CD1 3.98Å; F995-L1109 HydrophobicContact CE1-CG 4.41Å
996E91.2Very high89.6Confident7 Ų757.9 Ų57.93%0.03327%0.271CS..Hα-helixtrans-59.6-28.2174.5-71179.7-177.700112.9W764 Y767 R768 S771 M992 L1109 R1125W764-E996 HydrophobicContact CH2-CG 4.47Å; Y767-E996 HydrophobicContact CE1-CG 4.38Å; Y767-E996 PolarHBondContact OH-OE1 3.09Å; R768-E996 PolarHBondContact NH1-O 2.71Å; S771-E996 VanDerWaalsContact CB-OE2 3.27Å; S771-E996 WeakPolarHBondContact CB-OE2 3.16Å; S771-E996 PolarHBondContact OG-OE2 2.73Å; M992-E996 HydrophobicContact CE-CG 4.19Å; M992-E996 WeakPolarHBondContact CE-OE1 3.42Å; M992-E996 WeakPolarHBondContact O-CB 3.36Å; M992-E996 WeakPolarHBondContact O-CG 3.38Å; M992-E996 PolarHBondContact O-N 3.03Å; E996-L1109 HydrophobicContact CG-CD2 4.22Å; E996-R1125 IonicContact OE1-CZ 2.75Å; E996-R1125 IonicContact OE1-NH1 3.25Å; E996-R1125 PolarHBondContact OE1-NH1 2.97Å; E996-R1125 IonicContact OE2-NH1 2.94Å; E996-R1125 PolarHBondContact OE2-NH1 3.01Å
997S88.4Confident89.2Confident60 Ų6057.8 Ų57.842%0.4227%0.271SS..Hα-helixtrans-73-27.1178.580.20000114.1R768 E993 Q994 F995R768-S997 VanDerWaalsContact CZ-O 3.26Å; R768-S997 PolarHBondContact NH1-O 3.36Å; R768-S997 PolarHBondContact NH2-O 3.27Å; E993-S997 VanDerWaalsContact O-CB 3.25Å; E993-S997 WeakPolarHBondContact O-CB 3.47Å; E993-S997 PolarHBondContact O-N 3.14Å; Q994-S997 PolarHBondContact O-N 3.12Å; Q994-S997 PolarHBondContact O-OG 3.19Å; F995-S997 PolarHBondContact O-N 2.91Å
998K90.4Very high89Confident133 Ų13353.8 Ų53.858%0.57825%0.253SS*.Hα-helixtrans-85.1-40.9176-73.6179.3167.4-161.40112.6D966 Q994 F995D966-K998 IonicContact OD1-NZ 3.32Å; D966-K998 IonicContact OD2-NZ 2.85Å; D966-K998 PolarHBondContact OD2-NZ 3Å; Q994-K998 PolarHBondContact O-N 3.16Å; F995-K998 PolarHBondContact O-N 2.93Å; F995-K998 VanDerWaalsContact O-N 3.12Å
999M90.5Very high88.7Confident8 Ų856.3 Ų56.34%0.03926%0.261CS..  trans-62.1145.7-172.1-171.461.376.600111.8W764 R768 F995 H1003 L1004 L1007W764-M999 HydrophobicContact CH2-CB 4.19Å; W764-M999 HydrophobicContact CH2-CG 4.05Å; W764-M999 HydrophobicContact CZ2-CB 3.66Å; W764-M999 HydrophobicContact CZ2-CG 3.82Å; W764-M999 PolarHBondContact NE1-O 2.85Å; R768-M999 PolarHBondContact NH1-O 2.91Å; F995-M999 HydrophobicContact CE1-CE 3.99Å; F995-M999 HydrophobicContact CE2-CE 3.89Å; F995-M999 HydrophobicContact CZ-CE 3.37Å; F995-M999 PolarHBondContact O-N 2.8Å; F995-M999 VanDerWaalsContact O-N 3.08Å; M999-H1003 HydrophobicContact SD-CB 3.87Å; M999-H1003 PolarHBondContact SD-CD2 3.11Å; M999-L1004 HydrophobicContact CE-CD2 4.04Å; M999-L1004 HydrophobicContact CG-CD1 4.16Å; M999-L1004 HydrophobicContact CG-CD2 3.88Å; M999-L1004 HydrophobicContact CG-CG 3.7Å; M999-L1004 HydrophobicContact SD-CD2 3.74Å; M999-L1004 HydrophobicContact SD-CG 3.74Å; M999-L1007 HydrophobicContact CE-CD1 3.87Å
1000T90.5Very high88.4Confident52 Ų5257.8 Ų57.832%0.31927%0.272SS..  trans-123165.1175.166.40000109.8E761 Q1002 H1003 L1004E761-T1000 VanDerWaalsContact OE1-CB 3.31Å; E761-T1000 WeakPolarHBondContact OE1-CB 3.46Å; T1000-Q1002 VanDerWaalsContact C-N 3.32Å; T1000-H1003 WeakPolarHBondContact OG1-CB 3.41Å; T1000-H1003 PolarHBondContact OG1-N 2.83Å; T1000-L1004 WeakPolarHBondContact O-CG 3.38Å; T1000-L1004 PolarHBondContact O-N 2.76Å
1001G86.1Confident88.1Confident1 Ų153.8 Ų53.81%0.0126%0.256CS..Hα-helixtrans-63.3-39.817300000112.2V760 E761 W764 L1004 Q1005V760-G1001 WeakPolarHBondContact CG1-O 3.35Å; E761-G1001 WeakPolarHBondContact OE1-CA 3.47Å; E761-G1001 PolarHBondContact OE1-N 3.08Å; E761-G1001 PolarHBondContact OE2-N 2.72Å; W764-G1001 VanDerWaalsContact CD1-N 3.33Å; G1001-L1004 PolarHBondContact O-N 2.82Å; G1001-Q1005 PolarHBondContact O-N 3.43Å
1002Q83.8Confident87.6Confident89 Ų8952.9 Ų52.942%0.41626%0.26SS..Hα-helixtrans-60.5-51.4175.1-174.8-171.9-22.300111.9E761 T1000 L1004 Q1005 E1006E761-Q1002 PolarHBondContact OE1-N 2.67Å; T1000-Q1002 VanDerWaalsContact C-N 3.32Å; Q1002-L1004 PolarHBondContact O-N 3.47Å; Q1002-Q1005 PolarHBondContact O-N 3.43Å; Q1002-E1006 HydrophobicContact CG-CG 4.46Å; Q1002-E1006 PolarHBondContact NE2-OE1 2.94Å; Q1002-E1006 WeakPolarHBondContact O-CG 3.36Å; Q1002-E1006 PolarHBondContact O-N 2.83Å
1003H88.1Confident87.3Confident67 Ų6756 Ų5631%0.3128%0.28SS..Hα-helixtrans-62.9-31.1-178.5-168.5109.2000111.6D964 M999 T1000 L1007D964-H1003 IonicContact OD2-CE1 2.74Å; D964-H1003 IonicContact OD2-NE2 2.81Å; D964-H1003 PolarHBondContact OD2-NE2 2.84Å; M999-H1003 HydrophobicContact SD-CB 3.87Å; M999-H1003 PolarHBondContact SD-CD2 3.11Å; T1000-H1003 WeakPolarHBondContact OG1-CB 3.41Å; T1000-H1003 PolarHBondContact OG1-N 2.83Å; H1003-L1007 VanDerWaalsContact CD2-CD1 3.47Å; H1003-L1007 WeakPolarHBondContact CD2-CD1 3.44Å; H1003-L1007 WeakPolarHBondContact O-CB 3.39Å; H1003-L1007 VanDerWaalsContact O-CG 3.3Å; H1003-L1007 WeakPolarHBondContact O-CG 3.4Å; H1003-L1007 PolarHBondContact O-N 3.17Å
1004L88.8Confident87Confident3 Ų352.7 Ų52.72%0.01627%0.268CS..Hα-helixtrans-65.1-43.6170.7-74.3174.8000112.4W764 V984 M999 T1000 G1001 Q1002 L1007 F1008 L1109W764-L1004 HydrophobicContact CD2-CD1 4.12Å; W764-L1004 HydrophobicContact CE3-CD1 3.49Å; W764-L1004 VanDerWaalsContact CE3-CD1 3.49Å; W764-L1004 HydrophobicContact CH2-CD1 4.37Å; W764-L1004 HydrophobicContact CZ3-CD1 3.63Å; V984-L1004 HydrophobicContact CG2-CD2 4.24Å; M999-L1004 HydrophobicContact CE-CD2 4.04Å; M999-L1004 HydrophobicContact CG-CD1 4.16Å; M999-L1004 HydrophobicContact CG-CD2 3.88Å; M999-L1004 HydrophobicContact CG-CG 3.7Å; M999-L1004 HydrophobicContact SD-CD2 3.74Å; M999-L1004 HydrophobicContact SD-CG 3.74Å; T1000-L1004 WeakPolarHBondContact O-CG 3.38Å; T1000-L1004 PolarHBondContact O-N 2.76Å; G1001-L1004 PolarHBondContact O-N 2.82Å; Q1002-L1004 PolarHBondContact O-N 3.47Å; L1004-L1007 PolarHBondContact O-N 3.18Å; L1004-F1008 HydrophobicContact CB-CE2 4.16Å; L1004-F1008 HydrophobicContact CB-CZ 4.06Å; L1004-F1008 HydrophobicContact CD2-CE1 4.42Å; L1004-F1008 HydrophobicContact CD2-CZ 4.18Å; L1004-F1008 VanDerWaalsContact O-CD1 3.23Å; L1004-F1008 WeakPolarHBondContact O-CD1 3.43Å; L1004-F1008 WeakPolarHBondContact O-CD2 3.41Å; L1004-F1008 WeakPolarHBondContact O-CG 3.43Å; L1004-F1008 PolarHBondContact O-N 2.87Å; L1004-L1109 HydrophobicContact CD2-CD1 4.45Å
1005Q87Confident87Confident25 Ų2551.6 Ų51.612%0.11726%0.262CS..Hα-helixtrans-67.1-39.2177-68.7-161.2-61.800112.4V760 G1001 Q1002 F1008 Y1009 N1117 Y1118V760-Q1005 HydrophobicContact CG1-CG 3.92Å; G1001-Q1005 PolarHBondContact O-N 3.43Å; Q1002-Q1005 PolarHBondContact O-N 3.43Å; Q1005-F1008 PolarHBondContact O-N 3.3Å; Q1005-Y1009 WeakPolarHBondContact O-CB 3.48Å; Q1005-Y1009 PolarHBondContact O-N 2.98Å; Q1005-N1117 PolarHBondContact NE2-O 3.32Å; Q1005-N1117 VanDerWaalsContact NE2-O 3.14Å; Q1005-Y1118 PolarHBondContact NE2-O 2.69Å
1006E86.5Confident86.9Confident84 Ų8450.9 Ų50.939%0.39326%0.259SS..Hα-helixtrans-58.8-50.9173.7-70167.9165.900110.5Q1002 F1008 Y1009 E1010Q1002-E1006 HydrophobicContact CG-CG 4.46Å; Q1002-E1006 PolarHBondContact NE2-OE1 2.94Å; Q1002-E1006 WeakPolarHBondContact O-CG 3.36Å; Q1002-E1006 PolarHBondContact O-N 2.83Å; E1006-F1008 VanDerWaalsContact C-N 3.25Å; E1006-F1008 PolarHBondContact O-N 2.75Å; E1006-Y1009 PolarHBondContact O-N 2.83Å; E1006-E1010 WeakPolarHBondContact O-CB 3.46Å; E1006-E1010 WeakPolarHBondContact O-CG 3.35Å; E1006-E1010 PolarHBondContact O-N 3.08Å
1007L89.8Confident87Confident4 Ų451.6 Ų51.62%0.02126%0.264CS..Hα-helixtrans-58.7-30.6173.9-79.1178.3000114.2T962 D964 V969 M999 H1003 L1004T962-L1007 HydrophobicContact CG2-CD2 4.15Å; T962-L1007 WeakPolarHBondContact CG2-O 3.43Å; D964-L1007 HydrophobicContact CB-CD2 4.42Å; V969-L1007 HydrophobicContact CG2-CB 4.2Å; V969-L1007 HydrophobicContact CG2-CD1 4.07Å; V969-L1007 HydrophobicContact CG2-CD2 4.07Å; V969-L1007 HydrophobicContact CG2-CG 4.36Å; M999-L1007 HydrophobicContact CE-CD1 3.87Å; H1003-L1007 VanDerWaalsContact CD2-CD1 3.47Å; H1003-L1007 WeakPolarHBondContact CD2-CD1 3.44Å; H1003-L1007 WeakPolarHBondContact O-CB 3.39Å; H1003-L1007 VanDerWaalsContact O-CG 3.3Å; H1003-L1007 WeakPolarHBondContact O-CG 3.4Å; H1003-L1007 PolarHBondContact O-N 3.17Å; L1004-L1007 PolarHBondContact O-N 3.18Å
1008F90.4Very high87.3Confident0 Ų048.7 Ų48.70%024%0.244CC..Hα-helixtrans-78.6-39.8176.7-56-23.3000111.8V969 Y982 V984 L1004 Q1005 E1006 S1011 C1111 V1113 Y1118 P1120V969-F1008 HydrophobicContact CG1-CD1 4.43Å; Y982-F1008 HydrophobicContact CD1-CB 4.03Å; Y982-F1008 AromaticContact CD1-CD1 3.21Å; Y982-F1008 HydrophobicContact CD1-CD1 3.21Å; Y982-F1008 AromaticContact CD1-CE1 3.82Å; Y982-F1008 HydrophobicContact CD1-CE1 3.82Å; Y982-F1008 AromaticContact CD1-CG 3.76Å; Y982-F1008 HydrophobicContact CD1-CG 3.76Å; Y982-F1008 HydrophobicContact CD2-CD1 4.48Å; Y982-F1008 HydrophobicContact CD2-CG 4.5Å; Y982-F1008 HydrophobicContact CE1-CB 3.58Å; Y982-F1008 AromaticContact CE1-CD1 3.71Å; Y982-F1008 HydrophobicContact CE1-CD1 3.71Å; Y982-F1008 AromaticContact CE1-CG 3.86Å; Y982-F1008 HydrophobicContact CE1-CG 3.86Å; Y982-F1008 HydrophobicContact CE2-CB 4.48Å; Y982-F1008 AromaticContact CG-CD1 3.67Å; Y982-F1008 HydrophobicContact CG-CD1 3.67Å; Y982-F1008 AromaticContact CG-CE1 3.9Å; Y982-F1008 HydrophobicContact CG-CE1 3.9Å; Y982-F1008 HydrophobicContact CG-CG 4.1Å; Y982-F1008 PolarHBondContact OH-O 2.86Å; V984-F1008 HydrophobicContact CG2-CE1 3.86Å; L1004-F1008 HydrophobicContact CB-CE2 4.16Å; L1004-F1008 HydrophobicContact CB-CZ 4.06Å; L1004-F1008 HydrophobicContact CD2-CE1 4.42Å; L1004-F1008 HydrophobicContact CD2-CZ 4.18Å; L1004-F1008 VanDerWaalsContact O-CD1 3.23Å; L1004-F1008 WeakPolarHBondContact O-CD1 3.43Å; L1004-F1008 WeakPolarHBondContact O-CD2 3.41Å; L1004-F1008 WeakPolarHBondContact O-CG 3.43Å; L1004-F1008 PolarHBondContact O-N 2.87Å; Q1005-F1008 PolarHBondContact O-N 3.3Å; E1006-F1008 VanDerWaalsContact C-N 3.25Å; E1006-F1008 PolarHBondContact O-N 2.75Å; F1008-S1011 WeakPolarHBondContact O-CB 3.44Å; F1008-S1011 PolarHBondContact O-N 2.92Å; F1008-S1011 PolarHBondContact O-OG 2.74Å; F1008-C1111 HydrophobicContact CE2-CB 4.33Å; F1008-C1111 HydrophobicContact CZ-CB 3.93Å; F1008-V1113 HydrophobicContact CD2-CG1 4.08Å; F1008-V1113 HydrophobicContact CD2-CG2 3.97Å; F1008-V1113 HydrophobicContact CE2-CG2 3.72Å; F1008-V1113 HydrophobicContact CZ-CG2 4.25Å; F1008-Y1118 HydrophobicContact CB-CD1 3.53Å; F1008-Y1118 HydrophobicContact CB-CE1 4.15Å; F1008-Y1118 HydrophobicContact CB-CG 4.42Å; F1008-Y1118 WeakPolarHBondContact O-CE1 3.4Å; F1008-P1120 HydrophobicContact CE2-CG 4.3Å
1009Y84.9Confident87.6Confident141 Ų14143.5 Ų43.555%0.55322%0.224SC*.Hα-helixtrans-66.6-39.5177.6-180-99.2000112.6F746 Q1005 E1006 S1011 Y1118F746-Y1009 HydrophobicContact CE2-CD2 4.2Å; F746-Y1009 AromaticContact CE2-CE2 3.87Å; F746-Y1009 HydrophobicContact CE2-CE2 3.87Å; F746-Y1009 AromaticContact CZ-CD2 3.9Å; F746-Y1009 HydrophobicContact CZ-CD2 3.9Å; F746-Y1009 AromaticContact CZ-CE2 3.95Å; F746-Y1009 HydrophobicContact CZ-CE2 3.95Å; Q1005-Y1009 WeakPolarHBondContact O-CB 3.48Å; Q1005-Y1009 PolarHBondContact O-N 2.98Å; E1006-Y1009 PolarHBondContact O-N 2.83Å; Y1009-S1011 PolarHBondContact O-N 2.66Å; Y1009-Y1118 HydrophobicContact CD2-CD2 4.38Å; Y1009-Y1118 AromaticContact CD2-CE2 3.83Å; Y1009-Y1118 HydrophobicContact CD2-CE2 3.83Å
1010E85.1Confident87.9Confident121 Ų12143.2 Ų43.257%0.56522%0.222SC*.THydrogen-bonded Turntrans-71.9-7.9177.4-70.8-174.9165.900114.2T962 E1006 S1012T962-E1010 HydrophobicContact CG2-CB 4.4Å; E1006-E1010 WeakPolarHBondContact O-CB 3.46Å; E1006-E1010 WeakPolarHBondContact O-CG 3.35Å; E1006-E1010 PolarHBondContact O-N 3.08Å; E1010-S1012 PolarHBondContact O-N 3.07Å
1011S81.9Confident88.1Confident12 Ų1240.7 Ų40.78%0.08421%0.207CC..  trans-69.3119.9-176.269.50000112.7H960 Y982 F1008 Y1009H960-S1011 PolarHBondContact CD2-O 2.86Å; Y982-S1011 PolarHBondContact OH-OG 2.85Å; F1008-S1011 WeakPolarHBondContact O-CB 3.44Å; F1008-S1011 PolarHBondContact O-N 2.92Å; F1008-S1011 PolarHBondContact O-OG 2.74Å; Y1009-S1011 PolarHBondContact O-N 2.66Å
1012S78.5Confident88.3Confident74 Ų7444.5 Ų44.552%0.51722%0.223SC..EExtended strand (participates in β ladder)trans-118.9155.4-171.3660000112.4H960 Y961 E1010 C1014H960-S1012 CarbonylContact C-O 3.58Å; H960-S1012 WeakPolarHBondContact CA-O 3.37Å; Y961-S1012 PolarHBondContact N-O 2.88Å; Y961-S1012 PolarHBondContact O-N 2.81Å; E1010-S1012 PolarHBondContact O-N 3.07Å; S1012-C1014 PolarHBondContact O-N 2.76Å
1013T83Confident88.7Confident80 Ų8040.7 Ų40.749%0.49121%0.205SC..EExtended strand (participates in β ladder)trans-79.2107.2-172.9-73.80000112.3K958 F959 H960K958-T1013 HydrophobicContact CB-CG2 3.94Å; K958-T1013 HydrophobicContact CD-CG2 4.02Å; F959-T1013 WeakPolarHBondContact O-CA 3.48Å; H960-T1013 PolarHBondContact CD2-OG1 3.34Å; H960-T1013 VanDerWaalsContact CD2-OG1 3.24Å; H960-T1013 PolarHBondContact NE2-OG1 3.43Å
1014C81.8Confident88.7Confident29 Ų2942.9 Ų42.920%0.19621%0.213CC..EExtended strand (participates in β ladder)trans-133167174.472.40000112.3K958 F959 S1012 V1016 I1100K958-C1014 CarbonylContact C-O 3.51Å; K958-C1014 WeakPolarHBondContact CA-O 3.49Å; F959-C1014 PolarHBondContact N-O 3.07Å; F959-C1014 PolarHBondContact O-N 2.99Å; S1012-C1014 PolarHBondContact O-N 2.76Å; C1014-V1016 VanDerWaalsContact SG-CG2 3.57Å; C1014-I1100 HydrophobicContact CB-CD1 4.43Å
1015E87.8Confident88.4Confident78 Ų7843.5 Ų43.536%0.36422%0.217SC..EExtended strand (participates in β ladder)trans-81.3120.2176.1-176.3169.8-77.100111.1K956 R957 K958K956-E1015 WeakPolarHBondContact CE-OE2 3.45Å; K956-E1015 HydrophobicContact CG-CG 4.36Å; K956-E1015 IonicContact NZ-OE2 2.83Å; K956-E1015 PolarHBondContact NZ-OE2 3.44Å; R957-E1015 WeakPolarHBondContact O-CA 3.47Å; K958-E1015 HydrophobicContact CG-CB 4.33Å
1016V90.1Very high88.3Confident0 Ų046.9 Ų46.90%023%0.233CC..EExtended strand (participates in β ladder)trans-126.5136.9-177.9-173.50000109.9R957 F959 Y961 L970 C1014 V1018 I1100 F1102R957-V1016 PolarHBondContact N-O 2.89Å; R957-V1016 PolarHBondContact O-N 2.71Å; F959-V1016 HydrophobicContact CD2-CB 4.14Å; Y961-V1016 HydrophobicContact CD2-CG2 4.18Å; Y961-V1016 HydrophobicContact CG-CG2 4.16Å; L970-V1016 HydrophobicContact CD1-CG1 4.5Å; C1014-V1016 VanDerWaalsContact SG-CG2 3.57Å; V1016-V1018 HydrophobicContact CB-CG2 4.07Å; V1016-V1018 HydrophobicContact CG1-CG2 3.72Å; V1016-I1100 HydrophobicContact CG1-CG2 4.09Å; V1016-I1100 HydrophobicContact CG2-CB 4.3Å; V1016-I1100 HydrophobicContact CG2-CG2 4.1Å; V1016-F1102 HydrophobicContact CG1-CB 3.79Å
1017T94.2Very high88.1Confident22 Ų2244.7 Ų44.714%0.13522%0.222CC..EExtended strand (participates in β ladder)trans-87.1107.8164.7-49.60000107.9K956 I1100 Y1101 F1102K956-T1017 HydrophobicContact CB-CG2 4.43Å; K956-T1017 WeakPolarHBondContact CD-OG1 3.43Å; K956-T1017 WeakPolarHBondContact CE-OG1 3.07Å; T1017-I1100 PolarHBondContact N-O 2.82Å; T1017-Y1101 HydrophobicContact CG2-CD1 3.92Å; T1017-Y1101 HydrophobicContact CG2-CE1 3.94Å; T1017-Y1101 WeakPolarHBondContact O-CA 3.46Å; T1017-F1102 PolarHBondContact O-N 2.97Å
1018V95.2Very high87.8Confident0 Ų047.8 Ų47.80%025%0.245CC..EExtended strand (participates in β ladder)trans-104.2129.3-173.1172.90000109.8F930 T954 D955 F959 L970 V1016 I1020 F1102F930-V1018 HydrophobicContact CE1-CG1 4.25Å; F930-V1018 HydrophobicContact CZ-CG1 4.23Å; T954-V1018 CarbonylContact C-O 3.47Å; T954-V1018 VanDerWaalsContact CA-O 3.26Å; T954-V1018 WeakPolarHBondContact CA-O 3.44Å; D955-V1018 PolarHBondContact N-O 3.47Å; D955-V1018 PolarHBondContact O-N 3.07Å; F959-V1018 HydrophobicContact CD1-CG2 4.46Å; F959-V1018 HydrophobicContact CD2-CG2 3.6Å; F959-V1018 HydrophobicContact CE1-CG2 4.26Å; F959-V1018 HydrophobicContact CE2-CB 3.96Å; F959-V1018 HydrophobicContact CE2-CG2 3.34Å; F959-V1018 HydrophobicContact CG-CG2 4.16Å; F959-V1018 HydrophobicContact CZ-CB 4.02Å; F959-V1018 HydrophobicContact CZ-CG1 4.49Å; F959-V1018 HydrophobicContact CZ-CG2 3.7Å; L970-V1018 HydrophobicContact CD1-CG2 3.73Å; L970-V1018 HydrophobicContact CD2-CB 4.2Å; L970-V1018 HydrophobicContact CD2-CG1 3.48Å; L970-V1018 VanDerWaalsContact CD2-CG1 3.48Å; L970-V1018 HydrophobicContact CD2-CG2 3.59Å; L970-V1018 HydrophobicContact CG-CG2 4.33Å; V1016-V1018 HydrophobicContact CB-CG2 4.07Å; V1016-V1018 HydrophobicContact CG1-CG2 3.72Å; V1018-I1020 HydrophobicContact CG1-CG1 4.26Å; V1018-I1020 HydrophobicContact CG1-CG2 3.79Å; V1018-F1102 WeakPolarHBondContact CA-O 3.43Å
1019T96.1Very high87.3Confident24 Ų2448.7 Ų48.715%0.14725%0.249CC..EExtended strand (participates in β ladder)trans-131.1111.5169.3-64.40000108.4M952 M953 T954 F1102 V1103 A1104M952-T1019 HydrophobicContact CB-CG2 3.79Å; M952-T1019 HydrophobicContact CG-CG2 4.23Å; M952-T1019 HydrophobicContact SD-CG2 4.23Å; M953-T1019 WeakPolarHBondContact O-CA 3.29Å; T954-T1019 PolarHBondContact OG1-OG1 3.18Å; T1019-F1102 PolarHBondContact N-O 2.85Å; T1019-V1103 HydrophobicContact CG2-CG1 4.46Å; T1019-V1103 WeakPolarHBondContact O-CA 3.43Å; T1019-A1104 PolarHBondContact O-N 3.12Å
1020I95.7Very high86.9Confident1 Ų148.9 Ų48.91%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-132.7146.6-176.158.9164.2000111.5F930 M952 M953 L970 I972 I983 V1018 F1102 A1104F930-I1020 HydrophobicContact CE1-CG1 4.38Å; F930-I1020 HydrophobicContact CE2-CD1 4.2Å; F930-I1020 HydrophobicContact CZ-CD1 3.8Å; F930-I1020 HydrophobicContact CZ-CG1 4.05Å; M952-I1020 CarbonylContact C-O 3.5Å; M952-I1020 WeakPolarHBondContact CA-O 3.42Å; M952-I1020 VanDerWaalsContact SD-C 3.55Å; M953-I1020 HydrophobicContact CB-CG1 4.45Å; M953-I1020 HydrophobicContact CE-CD1 3.76Å; M953-I1020 HydrophobicContact CE-CG1 3.89Å; M953-I1020 PolarHBondContact N-O 2.87Å; M953-I1020 PolarHBondContact O-N 2.89Å; L970-I1020 HydrophobicContact CD2-CG2 4.47Å; I972-I1020 HydrophobicContact CD1-CD1 3.69Å; I983-I1020 HydrophobicContact CD1-CB 4.32Å; I983-I1020 HydrophobicContact CD1-CD1 4.02Å; I983-I1020 HydrophobicContact CD1-CG2 3.82Å; V1018-I1020 HydrophobicContact CG1-CG1 4.26Å; V1018-I1020 HydrophobicContact CG1-CG2 3.79Å; I1020-F1102 HydrophobicContact CG2-CD1 4.09Å; I1020-F1102 HydrophobicContact CG2-CE1 4.01Å; I1020-A1104 HydrophobicContact CB-CB 4.46Å; I1020-A1104 HydrophobicContact CG2-CB 3.94Å
1021P94.7Very high87.1Confident0 Ų043.1 Ų43.10%023%0.226CC..EExtended strand (participates in β ladder)trans-71147.3-178.427.2-33.1000111.8F940 I950 M952 F1023 F1108 Y1126F940-P1021 HydrophobicContact CE2-CG 4.41Å; I950-P1021 HydrophobicContact CD1-CB 3.63Å; I950-P1021 HydrophobicContact CG1-CB 4.49Å; M952-P1021 HydrophobicContact CE-CB 4.31Å; M952-P1021 VanDerWaalsContact SD-CA 3.56Å; M952-P1021 HydrophobicContact SD-CB 3.84Å; M952-P1021 HydrophobicContact SD-CG 4.39Å; M952-P1021 VanDerWaalsContact SD-N 3.37Å; P1021-F1023 HydrophobicContact CG-CD1 4.14Å; P1021-F1023 WeakPolarHBondContact O-CD1 3.46Å; P1021-F1108 HydrophobicContact CG-CE1 3.64Å; P1021-F1108 HydrophobicContact CG-CZ 3.78Å; P1021-Y1126 HydrophobicContact CB-CE1 4.12Å; P1021-Y1126 HydrophobicContact CG-CD1 4.04Å; P1021-Y1126 HydrophobicContact CG-CE1 3.73Å
1022K92Very high87.5Confident80 Ų8045 Ų4535%0.34823%0.233SC..  trans-82.1120.9161.8176.6169.9-178.8163.70108.1P951 M953 V1073 N1074 E1075P951-K1022 HydrophobicContact CB-CB 4.4Å; P951-K1022 HydrophobicContact CG-CB 4.25Å; P951-K1022 WeakPolarHBondContact O-CB 3.5Å; P951-K1022 PolarHBondContact O-N 2.94Å; M953-K1022 HydrophobicContact CG-CB 4.01Å; M953-K1022 HydrophobicContact SD-CB 4.09Å; K1022-V1073 WeakPolarHBondContact CA-O 3.4Å; K1022-N1074 HydrophobicContact CD-CB 4.22Å; K1022-N1074 HydrophobicContact CG-CB 4.14Å; K1022-E1075 WeakPolarHBondContact CE-OE2 3.35Å; K1022-E1075 IonicContact NZ-OE1 3.2Å; K1022-E1075 PolarHBondContact NZ-OE1 3.47Å; K1022-E1075 IonicContact NZ-OE2 3.98Å; K1022-E1075 PolarHBondContact NZ-OE2 2.87Å
1023F90.9Very high87.9Confident10 Ų1044.1 Ų44.14%0.04423%0.226CC..EExtended strand (participates in β ladder)trans-145.5157.8-172.667.7-96.4000114P1021 L1025 E1072 V1073 F1108 F1110 Y1126P1021-F1023 HydrophobicContact CG-CD1 4.14Å; P1021-F1023 WeakPolarHBondContact O-CD1 3.46Å; F1023-L1025 HydrophobicContact CD2-CD1 4.17Å; F1023-L1025 HydrophobicContact CD2-CG 4.09Å; F1023-L1025 HydrophobicContact CE2-CD1 4.11Å; F1023-L1025 HydrophobicContact CE2-CG 4.46Å; F1023-E1072 CarbonylContact O-C 3.46Å; F1023-E1072 WeakPolarHBondContact O-CA 3.39Å; F1023-V1073 HydrophobicContact CD1-CB 4.1Å; F1023-V1073 HydrophobicContact CD1-CG1 4.4Å; F1023-V1073 HydrophobicContact CD2-CB 4.44Å; F1023-V1073 HydrophobicContact CD2-CG2 4.43Å; F1023-V1073 HydrophobicContact CE1-CB 3.88Å; F1023-V1073 HydrophobicContact CE1-CG1 4.03Å; F1023-V1073 HydrophobicContact CE1-CG2 3.96Å; F1023-V1073 HydrophobicContact CE2-CB 4.25Å; F1023-V1073 HydrophobicContact CE2-CG2 3.81Å; F1023-V1073 HydrophobicContact CG-CB 4.38Å; F1023-V1073 HydrophobicContact CZ-CB 3.97Å; F1023-V1073 HydrophobicContact CZ-CG1 4.45Å; F1023-V1073 HydrophobicContact CZ-CG2 3.55Å; F1023-V1073 PolarHBondContact N-O 3.2Å; F1023-V1073 VanDerWaalsContact N-O 3.08Å; F1023-V1073 PolarHBondContact O-N 2.84Å; F1023-F1108 HydrophobicContact CD1-CZ 4.41Å; F1023-F1108 HydrophobicContact CE1-CE2 4.19Å; F1023-F1108 AromaticContact CE1-CZ 3.9Å; F1023-F1108 HydrophobicContact CE1-CZ 3.9Å; F1023-F1108 HydrophobicContact CZ-CE2 4.41Å; F1023-F1110 HydrophobicContact CE2-CE1 4.09Å; F1023-F1110 HydrophobicContact CE2-CE2 4.19Å; F1023-F1110 AromaticContact CE2-CZ 3.92Å; F1023-F1110 HydrophobicContact CE2-CZ 3.92Å; F1023-F1110 HydrophobicContact CZ-CD1 4.22Å; F1023-F1110 HydrophobicContact CZ-CD2 4.29Å; F1023-F1110 HydrophobicContact CZ-CE1 4.25Å; F1023-F1110 HydrophobicContact CZ-CE2 4.3Å; F1023-F1110 HydrophobicContact CZ-CG 4.24Å; F1023-F1110 HydrophobicContact CZ-CZ 4.3Å; F1023-Y1126 HydrophobicContact CB-CD2 4.04Å; F1023-Y1126 HydrophobicContact CB-CE2 3.43Å; F1023-Y1126 VanDerWaalsContact CB-CE2 3.43Å; F1023-Y1126 HydrophobicContact CD1-CD2 4.39Å; F1023-Y1126 HydrophobicContact CD1-CE2 4.47Å; F1023-Y1126 HydrophobicContact CD2-CD2 4.02Å; F1023-Y1126 HydrophobicContact CD2-CE2 4.26Å; F1023-Y1126 AromaticContact CG-CD2 3.91Å; F1023-Y1126 HydrophobicContact CG-CD2 3.91Å; F1023-Y1126 AromaticContact CG-CE2 3.84Å; F1023-Y1126 HydrophobicContact CG-CE2 3.84Å
1024K87.8Confident88.2Confident112 Ų11240.6 Ų40.649%0.48721%0.205SC..EExtended strand (participates in β ladder)trans-129.2134.5176-173.2-179.7-173.4123.70108.4F1070 V1071 E1072K1024-F1070 VanDerWaalsContact CE-CZ 3.45Å; K1024-F1070 HydrophobicContact CG-CZ 4.46Å; K1024-V1071 WeakPolarHBondContact CA-O 3.17Å; K1024-E1072 HydrophobicContact CB-CG 4.12Å; K1024-E1072 HydrophobicContact CD-CG 4.49Å; K1024-E1072 WeakPolarHBondContact CD-OE2 3.3Å; K1024-E1072 WeakPolarHBondContact CE-OE2 3.46Å; K1024-E1072 HydrophobicContact CG-CB 4.18Å; K1024-E1072 HydrophobicContact CG-CG 4.12Å; K1024-E1072 IonicContact NZ-OE2 2.86Å; K1024-E1072 PolarHBondContact NZ-OE2 2.91Å
1025L84.1Confident88.7Confident17 Ų1739.2 Ų39.29%0.08920%0.196CC..EExtended strand (participates in β ladder)trans-136.4133.2176.2-69.6176.1000110.5S778 F780 F1023 F1070 V1071 F1110 Y1126S778-L1025 VanDerWaalsContact CB-CD2 3.4Å; F780-L1025 HydrophobicContact CB-CB 4.47Å; F1023-L1025 HydrophobicContact CD2-CD1 4.17Å; F1023-L1025 HydrophobicContact CD2-CG 4.09Å; F1023-L1025 HydrophobicContact CE2-CD1 4.11Å; F1023-L1025 HydrophobicContact CE2-CG 4.46Å; L1025-F1070 WeakPolarHBondContact O-CA 3.4Å; L1025-V1071 HydrophobicContact CB-CG1 4Å; L1025-V1071 PolarHBondContact N-O 3.41Å; L1025-V1071 PolarHBondContact O-N 2.98Å; L1025-F1110 HydrophobicContact CD1-CE1 3.72Å; L1025-F1110 HydrophobicContact CD1-CZ 3.73Å; L1025-Y1126 HydrophobicContact CD1-CD2 4.24Å
1026E83.4Confident88.9Confident96 Ų9639.5 Ų39.545%0.44920%0.197SC..EExtended strand (participates in β ladder)trans-132.4124.3171.6-174.5-176.9137.600106.6K1068 A1069 F1070E1026-K1068 WeakPolarHBondContact OE1-CE 3.26Å; E1026-K1068 IonicContact OE1-NZ 2.7Å; E1026-K1068 PolarHBondContact OE1-NZ 3.01Å; E1026-A1069 WeakPolarHBondContact CA-O 3.45Å; E1026-F1070 HydrophobicContact CB-CD2 4.18Å; E1026-F1070 HydrophobicContact CG-CD2 4.2Å
1027H82.7Confident88.8Confident37 Ų3745.3 Ų45.317%0.17122%0.224CC..EExtended strand (participates in β ladder)trans-143.4135.1-171.1-177.8-101.5000111.6F780 K1068 A1069F780-H1027 HydrophobicContact CB-CB 4.04Å; F780-H1027 WeakPolarHBondContact O-CB 3.5Å; F780-H1027 PolarHBondContact O-ND1 3.41Å; H1027-K1068 WeakPolarHBondContact O-CA 3.38Å; H1027-A1069 PolarHBondContact N-O 3.06Å; H1027-A1069 PolarHBondContact O-N 3.14Å
1028S84.3Confident88.5Confident70 Ų7046.5 Ų46.549%0.4923%0.229SC..EExtended strand (participates in β ladder)trans-113.2121.8-176.7-55.70000110.1H1067 K1068S1028-H1067 CarbonylContact C-O 3.52Å; S1028-H1067 WeakPolarHBondContact CA-O 3.36Å; S1028-K1068 WeakPolarHBondContact OG-CD 3.46Å
1029L79.7Confident88.2Confident18 Ų1848.5 Ų48.59%0.09425%0.25CC..EExtended strand (participates in β ladder)trans-112.7129.7-176.5179.563.5000111.8S770 L781 I786 V1031 H1067S770-L1029 WeakPolarHBondContact OG-CD1 3.41Å; S770-L1029 WeakPolarHBondContact OG-CD2 3.23Å; L781-L1029 HydrophobicContact CD1-CD2 4.5Å; I786-L1029 HydrophobicContact CD1-CD2 4.18Å; L1029-V1031 VanDerWaalsContact C-N 3.34Å; L1029-V1031 HydrophobicContact CD2-CG2 4.32Å; L1029-V1031 HydrophobicContact CG-CG2 4.22Å; L1029-V1031 PolarHBondContact O-N 2.85Å; L1029-V1031 VanDerWaalsContact O-N 3.12Å; L1029-H1067 HydrophobicContact CB-CB 4.28Å; L1029-H1067 PolarHBondContact N-O 3.14Å; L1029-H1067 PolarHBondContact O-N 3.1Å; L1029-H1067 VanDerWaalsContact O-N 3.14Å
1030K76.1Confident88.1Confident145 Ų14547.5 Ų47.563%0.6324%0.243SC*.EExtended strand (participates in β ladder)trans-82.178.3169-66.7-174.1178.4-176.80109.9K1032 S1033K1030-K1032 PolarHBondContact O-N 3.27Å; K1030-K1032 VanDerWaalsContact O-N 3.16Å; K1030-S1033 PolarHBondContact O-N 3.05Å; K1030-S1033 PolarHBondContact O-OG 3.04Å
1031V88.1Confident88Confident0 Ų050.6 Ų50.60%026%0.263CS..Hα-helixtrans-58.2-33.6-170-1630000112.3I786 L1029 S1033 T1034 L1035 F1065 H1067I786-V1031 HydrophobicContact CD1-CG1 4.31Å; I786-V1031 HydrophobicContact CD1-CG2 4.25Å; I786-V1031 HydrophobicContact CG2-CG1 3.9Å; L1029-V1031 VanDerWaalsContact C-N 3.34Å; L1029-V1031 HydrophobicContact CD2-CG2 4.32Å; L1029-V1031 HydrophobicContact CG-CG2 4.22Å; L1029-V1031 PolarHBondContact O-N 2.85Å; L1029-V1031 VanDerWaalsContact O-N 3.12Å; V1031-S1033 PolarHBondContact O-N 3Å; V1031-T1034 WeakPolarHBondContact O-CB 3.41Å; V1031-T1034 PolarHBondContact O-N 3.03Å; V1031-T1034 VanDerWaalsContact O-N 3.14Å; V1031-L1035 HydrophobicContact CG1-CD1 3.75Å; V1031-L1035 HydrophobicContact CG1-CG 3.96Å; V1031-L1035 WeakPolarHBondContact O-CG 3.48Å; V1031-L1035 PolarHBondContact O-N 2.8Å; V1031-F1065 HydrophobicContact CB-CB 4.13Å; V1031-F1065 HydrophobicContact CB-CD1 3.74Å; V1031-F1065 HydrophobicContact CB-CD2 4.24Å; V1031-F1065 HydrophobicContact CB-CE1 4.2Å; V1031-F1065 HydrophobicContact CB-CG 3.76Å; V1031-F1065 HydrophobicContact CG1-CD1 3.66Å; V1031-F1065 HydrophobicContact CG1-CE1 3.71Å; V1031-F1065 HydrophobicContact CG1-CG 4.2Å; V1031-F1065 HydrophobicContact CG1-CZ 4.31Å; V1031-F1065 HydrophobicContact CG2-CD1 4.41Å; V1031-F1065 HydrophobicContact CG2-CD2 4.12Å; V1031-F1065 HydrophobicContact CG2-CE2 4.34Å; V1031-F1065 HydrophobicContact CG2-CG 4.16Å; V1031-F1065 PolarHBondContact N-O 2.81Å; V1031-H1067 HydrophobicContact CG2-CB 3.33Å
1032K90.6Very high88.1Confident52 Ų5252.1 Ų52.123%0.22627%0.27CS..Hα-helixtrans-49.6-50.8176.8171.3174.7169.3-1730113.7K1030 L1035 Q1036 F1044 S1063 E1064K1030-K1032 PolarHBondContact O-N 3.27Å; K1030-K1032 VanDerWaalsContact O-N 3.16Å; K1032-L1035 PolarHBondContact O-N 3.39Å; K1032-Q1036 WeakPolarHBondContact O-CG 3.2Å; K1032-Q1036 PolarHBondContact O-N 3.09Å; K1032-F1044 HydrophobicContact CB-CD1 4.37Å; K1032-F1044 HydrophobicContact CB-CE1 3.9Å; K1032-F1044 HydrophobicContact CB-CZ 4.26Å; K1032-F1044 HydrophobicContact CD-CD1 4.02Å; K1032-F1044 HydrophobicContact CD-CE1 4.34Å; K1032-F1044 HydrophobicContact CG-CD1 3.72Å; K1032-F1044 HydrophobicContact CG-CE1 3.75Å; K1032-F1044 HydrophobicContact CG-CG 4.17Å; K1032-F1044 HydrophobicContact CG-CZ 4.23Å; K1032-S1063 WeakPolarHBondContact CD-O 3.37Å; K1032-S1063 WeakPolarHBondContact CE-O 3.48Å; K1032-S1063 PolarHBondContact NZ-O 2.88Å; K1032-E1064 WeakPolarHBondContact CD-OE1 3.46Å; K1032-E1064 WeakPolarHBondContact CD-OE2 3.35Å; K1032-E1064 IonicContact NZ-OE1 3.21Å; K1032-E1064 PolarHBondContact NZ-OE1 3.04Å
1033S87.4Confident88.3Confident55 Ų5548.4 Ų48.439%0.38525%0.254SS..Hα-helixtrans-66.9-37.2179.332.30000112.6K1030 V1031 Q1036 Q1037K1030-S1033 PolarHBondContact O-N 3.05Å; K1030-S1033 PolarHBondContact O-OG 3.04Å; V1031-S1033 PolarHBondContact O-N 3Å; S1033-Q1036 PolarHBondContact O-N 3.06Å; S1033-Q1037 WeakPolarHBondContact O-CG 3.31Å; S1033-Q1037 PolarHBondContact O-N 2.8Å; S1033-Q1037 VanDerWaalsContact O-N 3.12Å
1034T88.8Confident88.5Confident7 Ų749 Ų494%0.04326%0.256CS..Hα-helixtrans-63.7-44.1175.6-45.80000111L766 N769 V1031 Q1037 L1038L766-T1034 HydrophobicContact CD2-CG2 4.15Å; N769-T1034 HydrophobicContact CB-CG2 3.7Å; V1031-T1034 WeakPolarHBondContact O-CB 3.41Å; V1031-T1034 PolarHBondContact O-N 3.03Å; V1031-T1034 VanDerWaalsContact O-N 3.14Å; T1034-Q1037 WeakPolarHBondContact O-CB 3.4Å; T1034-Q1037 PolarHBondContact O-N 3.14Å; T1034-L1038 HydrophobicContact CG2-CD1 4.42Å; T1034-L1038 WeakPolarHBondContact O-CG 3.38Å; T1034-L1038 PolarHBondContact O-N 3.14Å
1035L92.6Very high88.8Confident0 Ų045.9 Ų45.90%025%0.245CC..Hα-helixtrans-68-36.4178.8-71172.1000112.7F762 L766 L790 V1031 K1032 Q1037 L1038 G1039 L1040 F1044 F1065F762-L1035 HydrophobicContact CE2-CD2 4.18Å; F762-L1035 HydrophobicContact CZ-CD2 3.66Å; L766-L1035 HydrophobicContact CD2-CD2 3.9Å; L790-L1035 HydrophobicContact CD1-CD1 4.38Å; L790-L1035 HydrophobicContact CD1-CD2 4.07Å; L790-L1035 HydrophobicContact CD2-CD1 3.96Å; V1031-L1035 HydrophobicContact CG1-CD1 3.75Å; V1031-L1035 HydrophobicContact CG1-CG 3.96Å; V1031-L1035 WeakPolarHBondContact O-CG 3.48Å; V1031-L1035 PolarHBondContact O-N 2.8Å; K1032-L1035 PolarHBondContact O-N 3.39Å; L1035-Q1037 VanDerWaalsContact C-N 3.32Å; L1035-Q1037 PolarHBondContact O-N 3.34Å; L1035-L1038 CarbonylContact O-C 3.58Å; L1035-L1038 WeakPolarHBondContact O-CA 3.27Å; L1035-L1038 PolarHBondContact O-N 2.95Å; L1035-L1038 VanDerWaalsContact O-N 3.16Å; L1035-G1039 PolarHBondContact O-N 2.98Å; L1035-G1039 VanDerWaalsContact O-N 3.13Å; L1035-L1040 HydrophobicContact CB-CB 4.24Å; L1035-L1040 HydrophobicContact CB-CD1 4.37Å; L1035-L1040 HydrophobicContact CD2-CD1 3.9Å; L1035-L1040 HydrophobicContact CD2-CD2 4.24Å; L1035-L1040 PolarHBondContact O-N 3.32Å; L1035-F1044 HydrophobicContact CB-CE2 3.95Å; L1035-F1044 HydrophobicContact CB-CZ 4.03Å; L1035-F1044 HydrophobicContact CD1-CZ 3.95Å; L1035-F1065 HydrophobicContact CD1-CD1 3.62Å; L1035-F1065 HydrophobicContact CD1-CE1 3.93Å
1036Q92.3Very high89.1Confident84 Ų8446.8 Ų46.839%0.39325%0.253SS..Hα-helixtrans-64.6-35.5172.9-73.2178-41.200112.4K1032 S1033 L1038 G1039 L1040 F1044K1032-Q1036 WeakPolarHBondContact O-CG 3.2Å; K1032-Q1036 PolarHBondContact O-N 3.09Å; S1033-Q1036 PolarHBondContact O-N 3.06Å; Q1036-L1038 VanDerWaalsContact C-N 3.33Å; Q1036-G1039 PolarHBondContact O-N 2.81Å; Q1036-L1040 WeakPolarHBondContact CA-O 3.24Å; Q1036-F1044 HydrophobicContact CG-CD2 3.68Å; Q1036-F1044 HydrophobicContact CG-CE2 4.01Å; Q1036-F1044 HydrophobicContact CG-CG 4.5Å
1037Q87.9Confident89.5Confident122 Ų12247.1 Ų47.157%0.5727%0.265SS*.Hα-helixtrans-69.2-31172-71168.3-22.200112.4S1033 T1034 L1035 G1039S1033-Q1037 WeakPolarHBondContact O-CG 3.31Å; S1033-Q1037 PolarHBondContact O-N 2.8Å; S1033-Q1037 VanDerWaalsContact O-N 3.12Å; T1034-Q1037 WeakPolarHBondContact O-CB 3.4Å; T1034-Q1037 PolarHBondContact O-N 3.14Å; L1035-Q1037 VanDerWaalsContact C-N 3.32Å; L1035-Q1037 PolarHBondContact O-N 3.34Å; Q1037-G1039 PolarHBondContact O-N 3.28Å
1038L88.4Confident90Very high47 Ų4751.1 Ų51.125%0.24628%0.282CS..THydrogen-bonded Turntrans-82.17.3172.2-64.6172.2000113.8F762 L766 N769 T1034 L1035 Q1036 L1040F762-L1038 HydrophobicContact CE2-CD1 4.06Å; L766-L1038 HydrophobicContact CD2-CD1 3.84Å; L766-L1038 HydrophobicContact CG-CD1 4.19Å; N769-L1038 WeakPolarHBondContact ND2-CD2 3.39Å; T1034-L1038 HydrophobicContact CG2-CD1 4.42Å; T1034-L1038 WeakPolarHBondContact O-CG 3.38Å; T1034-L1038 PolarHBondContact O-N 3.14Å; L1035-L1038 CarbonylContact O-C 3.58Å; L1035-L1038 WeakPolarHBondContact O-CA 3.27Å; L1035-L1038 PolarHBondContact O-N 2.95Å; L1035-L1038 VanDerWaalsContact O-N 3.16Å; Q1036-L1038 VanDerWaalsContact C-N 3.33Å; L1038-L1040 HydrophobicContact CB-CD1 4.09Å
1039G88.5Confident90.6Very high42 Ų4248.4 Ų48.443%0.43326%0.264SS..THydrogen-bonded Turntrans92.8-11.2173.200000116.2L1035 Q1036 Q1037 T1041L1035-G1039 PolarHBondContact O-N 2.98Å; L1035-G1039 VanDerWaalsContact O-N 3.13Å; Q1036-G1039 PolarHBondContact O-N 2.81Å; Q1037-G1039 PolarHBondContact O-N 3.28Å; G1039-T1041 PolarHBondContact O-N 2.9Å; G1039-T1041 PolarHBondContact O-OG1 3.42Å
1040L93.2Very high91.3Very high2 Ų250.4 Ų50.41%0.0128%0.275CS..  trans-73.4101.1174.1-5986.2000108.9F762 L805 A808 L1035 Q1036 L1038 M1043 F1044F762-L1040 HydrophobicContact CE2-CD1 4.23Å; L805-L1040 HydrophobicContact CD2-CD2 3.64Å; L805-L1040 HydrophobicContact CG-CD2 4.24Å; A808-L1040 HydrophobicContact CB-CD1 3.55Å; A808-L1040 HydrophobicContact CB-CD2 4.36Å; A808-L1040 HydrophobicContact CB-CG 4.03Å; L1035-L1040 HydrophobicContact CB-CB 4.24Å; L1035-L1040 HydrophobicContact CB-CD1 4.37Å; L1035-L1040 HydrophobicContact CD2-CD1 3.9Å; L1035-L1040 HydrophobicContact CD2-CD2 4.24Å; L1035-L1040 PolarHBondContact O-N 3.32Å; Q1036-L1040 WeakPolarHBondContact CA-O 3.24Å; L1038-L1040 HydrophobicContact CB-CD1 4.09Å; L1040-M1043 HydrophobicContact CB-SD 4.09Å; L1040-M1043 HydrophobicContact CD2-SD 3.96Å; L1040-F1044 WeakPolarHBondContact O-CD2 3.33Å; L1040-F1044 VanDerWaalsContact O-CE2 3.3Å; L1040-F1044 WeakPolarHBondContact O-CE2 3.36Å
1041T94.8Very high92.3Very high67 Ų6743.8 Ų43.841%0.41125%0.246SC..  trans-122.6-37.2-170.350.10000112.8G1039 M1043 F1044G1039-T1041 PolarHBondContact O-N 2.9Å; G1039-T1041 PolarHBondContact O-OG1 3.42Å; T1041-M1043 PolarHBondContact O-N 3.16Å; T1041-F1044 PolarHBondContact O-N 3.21Å
1042E95.9Very high92.6Very high32 Ų3246.3 Ų46.315%0.1526%0.264CS..G310 helixtrans-65.7-38.6-176.4-78.7-178.6-160.100113.4S800 T801 Q804 F1044 D1045 K1048 A1049S800-E1042 VanDerWaalsContact C-OE2 3.28Å; S800-E1042 VanDerWaalsContact CB-OE1 3.27Å; S800-E1042 WeakPolarHBondContact CB-OE1 3.5Å; S800-E1042 WeakPolarHBondContact CB-OE2 3.45Å; S800-E1042 PolarHBondContact OG-OE1 3.22Å; S800-E1042 PolarHBondContact OG-OE2 2.82Å; T801-E1042 PolarHBondContact N-OE2 3.27Å; T801-E1042 PolarHBondContact OG1-OE2 3.18Å; Q804-E1042 PolarHBondContact NE2-OE1 2.81Å; E1042-F1044 PolarHBondContact O-N 3.08Å; E1042-D1045 PolarHBondContact O-N 3.14Å; E1042-K1048 HydrophobicContact CB-CB 4.23Å; E1042-K1048 HydrophobicContact CG-CB 3.86Å; E1042-K1048 HydrophobicContact CG-CD 4.02Å; E1042-A1049 WeakPolarHBondContact O-CA 3.22Å; E1042-A1049 VanDerWaalsContact O-CB 3.27Å; E1042-A1049 WeakPolarHBondContact O-CB 3.22Å; E1042-A1049 PolarHBondContact O-N 3.01Å
1043M95.9Very high92.8Very high2 Ų248 Ų481%0.0127%0.272CS..G310 helixtrans-58.3-21.8-178.167.5-173.4-67.800113.5L790 T801 L805 L916 L1040 T1041 F1051 V1062L790-M1043 HydrophobicContact CD2-CE 3.99Å; T801-M1043 HydrophobicContact CG2-CB 3.97Å; L805-M1043 HydrophobicContact CD2-CE 4.36Å; L805-M1043 HydrophobicContact CD2-SD 4.11Å; L916-M1043 HydrophobicContact CD1-CE 4.15Å; L1040-M1043 HydrophobicContact CB-SD 4.09Å; L1040-M1043 HydrophobicContact CD2-SD 3.96Å; T1041-M1043 PolarHBondContact O-N 3.16Å; M1043-F1051 HydrophobicContact CB-CE2 4.13Å; M1043-F1051 HydrophobicContact CB-CZ 3.94Å; M1043-V1062 HydrophobicContact CE-CB 4.45Å; M1043-V1062 HydrophobicContact CE-CG2 3.88Å; M1043-V1062 WeakPolarHBondContact O-CB 3.17Å; M1043-V1062 PolarHBondContact O-N 3.01Å
1044F95.5Very high93.1Very high21 Ų2145.3 Ų45.39%0.09225%0.254CS..G310 helixtrans-98.3-3.8178.9-53.1-70.8000113.9K1032 L1035 Q1036 L1040 T1041 E1042 V1062K1032-F1044 HydrophobicContact CB-CD1 4.37Å; K1032-F1044 HydrophobicContact CB-CE1 3.9Å; K1032-F1044 HydrophobicContact CB-CZ 4.26Å; K1032-F1044 HydrophobicContact CD-CD1 4.02Å; K1032-F1044 HydrophobicContact CD-CE1 4.34Å; K1032-F1044 HydrophobicContact CG-CD1 3.72Å; K1032-F1044 HydrophobicContact CG-CE1 3.75Å; K1032-F1044 HydrophobicContact CG-CG 4.17Å; K1032-F1044 HydrophobicContact CG-CZ 4.23Å; L1035-F1044 HydrophobicContact CB-CE2 3.95Å; L1035-F1044 HydrophobicContact CB-CZ 4.03Å; L1035-F1044 HydrophobicContact CD1-CZ 3.95Å; Q1036-F1044 HydrophobicContact CG-CD2 3.68Å; Q1036-F1044 HydrophobicContact CG-CE2 4.01Å; Q1036-F1044 HydrophobicContact CG-CG 4.5Å; L1040-F1044 WeakPolarHBondContact O-CD2 3.33Å; L1040-F1044 VanDerWaalsContact O-CE2 3.3Å; L1040-F1044 WeakPolarHBondContact O-CE2 3.36Å; T1041-F1044 PolarHBondContact O-N 3.21Å; E1042-F1044 PolarHBondContact O-N 3.08Å; F1044-V1062 WeakPolarHBondContact CA-O 3.38Å; F1044-V1062 HydrophobicContact CD1-CB 3.88Å; F1044-V1062 HydrophobicContact CD1-CG1 3.77Å; F1044-V1062 WeakPolarHBondContact CD1-O 3.16Å; F1044-V1062 HydrophobicContact CE1-CB 4.04Å; F1044-V1062 HydrophobicContact CE1-CG1 3.58Å
1045D93.9Very high93.3Very high47 Ų4745.2 Ų45.225%0.25125%0.253SS..  trans-109.1105.1-177.4-177.3-21000110.3E1042 S1047 K1048 A1049E1042-D1045 PolarHBondContact O-N 3.14Å; D1045-S1047 PolarHBondContact O-N 2.83Å; D1045-S1047 WeakPolarHBondContact OD1-CB 3.19Å; D1045-S1047 PolarHBondContact OD1-N 3.46Å; D1045-S1047 PolarHBondContact OD1-OG 3.04Å; D1045-S1047 PolarHBondContact OD2-OG 3.15Å; D1045-K1048 HydrophobicContact CB-CB 4.35Å; D1045-K1048 HydrophobicContact CB-CG 4.42Å; D1045-K1048 PolarHBondContact O-N 3.1Å; D1045-K1048 IonicContact OD2-NZ 3.66Å; D1045-K1048 PolarHBondContact OD2-NZ 2.98Å; D1045-A1049 VanDerWaalsContact O-CB 3.31Å; D1045-A1049 WeakPolarHBondContact O-CB 3.47Å; D1045-A1049 PolarHBondContact O-N 2.77Å
1046C90.6Very high93.1Very high37 Ų3752 Ų5225%0.2528%0.283CS..THydrogen-bonded Turntrans-64-2.3-179.3-88.50000115.7Q1059 C1061C1046-Q1059 PolarHBondContact SG-O 3.08Å; C1046-C1061 WeakPolarHBondContact CA-SG 3.33Å; C1046-C1061 HydrophobicContact CB-CB 3.93Å; C1046-C1061 WeakPolarHBondContact CB-SG 3.29Å; C1046-C1061 PolarHBondContact N-SG 3.19Å; C1046-C1061 WeakPolarHBondContact SG-CB 3.26Å; C1046-C1061 CovalentContact SG-SG 2.04Å; C1046-C1061 PolarHBondContact SG-SG 3.07Å
1047S91.9Very high92.8Very high102 Ų10250.3 Ų50.371%0.71328%0.278SS*.THydrogen-bonded Turntrans-94.7-13.2168.372.90000114.2D1045D1045-S1047 PolarHBondContact O-N 2.83Å; D1045-S1047 WeakPolarHBondContact OD1-CB 3.19Å; D1045-S1047 PolarHBondContact OD1-N 3.46Å; D1045-S1047 PolarHBondContact OD1-OG 3.04Å; D1045-S1047 PolarHBondContact OD2-OG 3.15Å
1048K94.1Very high92.5Very high121 Ų12149.2 Ų49.253%0.52628%0.284SS..THydrogen-bonded Turntrans-124.3-34.8-176.7-54.4-172.5-173.2103.20114E1042 D1045 N1050E1042-K1048 HydrophobicContact CB-CB 4.23Å; E1042-K1048 HydrophobicContact CG-CB 3.86Å; E1042-K1048 HydrophobicContact CG-CD 4.02Å; D1045-K1048 HydrophobicContact CB-CB 4.35Å; D1045-K1048 HydrophobicContact CB-CG 4.42Å; D1045-K1048 PolarHBondContact O-N 3.1Å; D1045-K1048 IonicContact OD2-NZ 3.66Å; D1045-K1048 PolarHBondContact OD2-NZ 2.98Å; K1048-N1050 PolarHBondContact O-N 2.99Å; K1048-N1050 VanDerWaalsContact O-N 3.1Å
1049A95.7Very high92.5Very high13 Ų1352.8 Ų52.811%0.10730%0.3CS..  trans-50.7113.9-176.900000111.5E1042 D1045 F1051 L1060 C1061E1042-A1049 WeakPolarHBondContact O-CA 3.22Å; E1042-A1049 VanDerWaalsContact O-CB 3.27Å; E1042-A1049 WeakPolarHBondContact O-CB 3.22Å; E1042-A1049 PolarHBondContact O-N 3.01Å; D1045-A1049 VanDerWaalsContact O-CB 3.31Å; D1045-A1049 WeakPolarHBondContact O-CB 3.47Å; D1045-A1049 PolarHBondContact O-N 2.77Å; A1049-F1051 HydrophobicContact CB-CD2 4.1Å; A1049-F1051 HydrophobicContact CB-CE2 4.14Å; A1049-L1060 WeakPolarHBondContact CB-O 3.43Å; A1049-C1061 HydrophobicContact CB-CB 3.45Å; A1049-C1061 VanDerWaalsContact CB-CB 3.45Å
1050N95.5Very high92.7Very high60 Ų6051 Ų5132%0.32128%0.28SS..  trans-105.594.1178.1-176.212.1000110.7A797 A798 T801 K1048 S1052A797-N1050 CarbonylContact C-O 3.51Å; A797-N1050 WeakPolarHBondContact CA-O 3.48Å; A798-N1050 WeakPolarHBondContact CB-ND2 3.47Å; A798-N1050 PolarHBondContact N-O 2.71Å; A798-N1050 WeakPolarHBondContact O-CB 3.3Å; A798-N1050 PolarHBondContact O-ND2 2.81Å; T801-N1050 PolarHBondContact OG1-N 3.4Å; K1048-N1050 PolarHBondContact O-N 2.99Å; K1048-N1050 VanDerWaalsContact O-N 3.1Å; N1050-S1052 WeakPolarHBondContact OD1-CB 3.33Å; N1050-S1052 PolarHBondContact OD1-N 3.19Å; N1050-S1052 PolarHBondContact OD1-OG 2.89Å
1051F96Very high92.8Very high7 Ų751.2 Ų51.23%0.03128%0.282CS..  trans-106.938.9173.7-72.7-73.6000112.2G796 A797 T801 M1043 A1049 E1053 M1054 S1055 L1060 V1062G796-F1051 CarbonylContact O-C 3.55Å; G796-F1051 VanDerWaalsContact O-C 3.29Å; G796-F1051 WeakPolarHBondContact O-CA 3.38Å; A797-F1051 HydrophobicContact CB-CD1 4.1Å; A797-F1051 HydrophobicContact CB-CE1 3.96Å; T801-F1051 HydrophobicContact CG2-CE2 4.25Å; T801-F1051 HydrophobicContact CG2-CZ 4.16Å; M1043-F1051 HydrophobicContact CB-CE2 4.13Å; M1043-F1051 HydrophobicContact CB-CZ 3.94Å; A1049-F1051 HydrophobicContact CB-CD2 4.1Å; A1049-F1051 HydrophobicContact CB-CE2 4.14Å; F1051-E1053 PolarHBondContact O-N 3.33Å; F1051-M1054 HydrophobicContact CB-CB 4.12Å; F1051-M1054 HydrophobicContact CD1-CE 3.78Å; F1051-M1054 HydrophobicContact CE1-CE 4.17Å; F1051-M1054 WeakPolarHBondContact O-CB 3.43Å; F1051-M1054 PolarHBondContact O-N 2.73Å; F1051-S1055 PolarHBondContact O-N 2.9Å; F1051-L1060 HydrophobicContact CB-CB 4.48Å; F1051-L1060 HydrophobicContact CB-CD2 4.24Å; F1051-L1060 HydrophobicContact CB-CG 4.43Å; F1051-L1060 WeakPolarHBondContact CD2-O 3.46Å; F1051-V1062 HydrophobicContact CE2-CG2 4.12Å; F1051-V1062 HydrophobicContact CZ-CG2 3.96Å
1052S94.8Very high92.9Very high53 Ų5348 Ų4837%0.37126%0.262SS..THydrogen-bonded Turntrans-62-26.2-179.3650000114A798 L857 N1050 M1054A798-S1052 WeakPolarHBondContact CB-OG 3.44Å; L857-S1052 VanDerWaalsContact CD1-O 3.27Å; L857-S1052 WeakPolarHBondContact CD1-O 3.33Å; N1050-S1052 WeakPolarHBondContact OD1-CB 3.33Å; N1050-S1052 PolarHBondContact OD1-N 3.19Å; N1050-S1052 PolarHBondContact OD1-OG 2.89Å; S1052-M1054 PolarHBondContact O-N 3.29Å
1053E94.6Very high92.8Very high86 Ų8647.4 Ų47.440%0.40226%0.261SS..THydrogen-bonded Turntrans-80.6-5175.3-65.4-60.4125.900112.9G796 A798 F860 R863 F1051G796-E1053 CarbonylContact O-C 3.37Å; G796-E1053 PolarHBondContact O-N 3.32Å; A798-E1053 HydrophobicContact CB-CG 4.3Å; F860-E1053 WeakPolarHBondContact CB-O 3.35Å; R863-E1053 IonicContact NH2-OE2 2.7Å; F1051-E1053 PolarHBondContact O-N 3.33Å
1054M94.8Very high92.6Very high0 Ų049.4 Ų49.40%027%0.27CS..THydrogen-bonded Turntrans-104.7-44.5174.5-170.7-179-6500111.9G796 L848 I856 L857 F860 M872 L914 F1051 S1052 L1060G796-M1054 PolarHBondContact O-N 2.87Å; L848-M1054 HydrophobicContact CD1-CE 4.25Å; I856-M1054 WeakPolarHBondContact CA-O 3.34Å; L857-M1054 PolarHBondContact N-O 2.91Å; F860-M1054 HydrophobicContact CD1-CB 4.4Å; F860-M1054 HydrophobicContact CD1-CG 3.75Å; F860-M1054 HydrophobicContact CE1-CB 4.48Å; F860-M1054 HydrophobicContact CE1-CE 4.13Å; F860-M1054 HydrophobicContact CE1-CG 3.62Å; F860-M1054 HydrophobicContact CE1-SD 4.32Å; F860-M1054 HydrophobicContact CE2-CE 4.4Å; F860-M1054 HydrophobicContact CG-CB 4.45Å; F860-M1054 HydrophobicContact CG-CG 4.28Å; F860-M1054 HydrophobicContact CZ-CE 3.77Å; F860-M1054 HydrophobicContact CZ-CG 4.07Å; M872-M1054 HydrophobicContact CE-CG 3.9Å; M872-M1054 HydrophobicContact CE-SD 3.61Å; M872-M1054 HydrophobicContact SD-CG 4.1Å; M872-M1054 HydrophobicContact SD-SD 4.3Å; L914-M1054 HydrophobicContact CD2-CE 4.23Å; L914-M1054 HydrophobicContact CD2-SD 3.87Å; F1051-M1054 HydrophobicContact CB-CB 4.12Å; F1051-M1054 HydrophobicContact CD1-CE 3.78Å; F1051-M1054 HydrophobicContact CE1-CE 4.17Å; F1051-M1054 WeakPolarHBondContact O-CB 3.43Å; F1051-M1054 PolarHBondContact O-N 2.73Å; S1052-M1054 PolarHBondContact O-N 3.29Å; M1054-L1060 HydrophobicContact CG-CD2 4.21Å; M1054-L1060 HydrophobicContact SD-CD2 3.79Å
1055S92.9Very high92.5Very high5 Ų548.4 Ų48.44%0.03527%0.266CS..BIsolated β-bridgetrans-142.9145.4-176.2-173.50000113.2E855 F1051 T1057E855-S1055 VanDerWaalsContact C-OG 3.29Å; E855-S1055 CarbonylContact O-C 3.46Å; E855-S1055 WeakPolarHBondContact O-CA 3.44Å; E855-S1055 WeakPolarHBondContact O-CB 3.22Å; E855-S1055 PolarHBondContact O-OG 3.16Å; F1051-S1055 PolarHBondContact O-N 2.9Å; S1055-T1057 VanDerWaalsContact C-N 3.29Å; S1055-T1057 PolarHBondContact OG-N 2.77Å; S1055-T1057 VanDerWaalsContact OG-N 3.12Å
1056K87.4Confident92.4Very high142 Ų14246.9 Ų46.962%0.61726%0.258SS*.SBendtrans-72.4-24.3168.5-54-175.8-156.81520112.8E855 L857 S1058E855-K1056 HydrophobicContact CB-CB 4.19Å; E855-K1056 HydrophobicContact CB-CG 4.49Å; E855-K1056 PolarHBondContact O-N 3.21Å; E855-K1056 WeakPolarHBondContact OE2-CD 3.45Å; E855-K1056 WeakPolarHBondContact OE2-CE 3.35Å; E855-K1056 IonicContact OE2-NZ 2.69Å; E855-K1056 PolarHBondContact OE2-NZ 3.21Å; L857-K1056 HydrophobicContact CD2-CD 4.44Å; L857-K1056 HydrophobicContact CD2-CG 3.67Å; L857-K1056 HydrophobicContact CG-CG 4.47Å; K1056-S1058 PolarHBondContact O-N 3.21Å
1057T85.7Confident92.5Very high48 Ų4845.1 Ų45.129%0.29425%0.246SC..SBendtrans-80.2118.4-177.4-52.80000108.9F854 E855 S1055F854-T1057 HydrophobicContact CD1-CG2 3.67Å; F854-T1057 HydrophobicContact CE1-CG2 3.72Å; F854-T1057 HydrophobicContact CG-CG2 4.26Å; F854-T1057 HydrophobicContact CZ-CG2 4.37Å; E855-T1057 PolarHBondContact N-OG1 2.7Å; S1055-T1057 VanDerWaalsContact C-N 3.29Å; S1055-T1057 PolarHBondContact OG-N 2.77Å; S1055-T1057 VanDerWaalsContact OG-N 3.12Å
1058S82.7Confident92.4Very high99 Ų9940.7 Ų40.769%0.69221%0.214SC*.SBendtrans-70.4170-177.1610000113K1056 L1060K1056-S1058 PolarHBondContact O-N 3.21Å; S1058-L1060 PolarHBondContact O-N 2.78Å
1059Q87.7Confident92.1Very high123 Ų12334.9 Ų34.958%0.57519%0.189SC*.  trans61.622.4-175.1-46.4-178.7-7.400115.1K913 C1046 C1061K913-Q1059 VanDerWaalsContact CD-O 3.22Å; K913-Q1059 WeakPolarHBondContact CD-O 3.13Å; K913-Q1059 PolarHBondContact NZ-O 2.75Å; C1046-Q1059 PolarHBondContact SG-O 3.08Å; Q1059-C1061 PolarHBondContact O-N 3.08Å
1060L93.9Very high91.6Very high4 Ų434.6 Ų34.62%0.02119%0.185CC..  trans-71.3124.2165.7-174.957.2000108.6F854 K913 L914 A1049 F1051 M1054 S1058F854-L1060 HydrophobicContact CD1-CB 3.94Å; F854-L1060 HydrophobicContact CD1-CD1 3.9Å; F854-L1060 HydrophobicContact CD1-CD2 4.37Å; F854-L1060 HydrophobicContact CD1-CG 4.29Å; F854-L1060 HydrophobicContact CE1-CB 3.74Å; F854-L1060 HydrophobicContact CE1-CD1 3.99Å; F854-L1060 HydrophobicContact CE1-CG 4.41Å; F854-L1060 HydrophobicContact CG-CD1 4.33Å; F854-L1060 HydrophobicContact CZ-CD1 4.45Å; K913-L1060 HydrophobicContact CB-CD1 4.27Å; L914-L1060 HydrophobicContact CB-CD1 3.97Å; A1049-L1060 WeakPolarHBondContact CB-O 3.43Å; F1051-L1060 HydrophobicContact CB-CB 4.48Å; F1051-L1060 HydrophobicContact CB-CD2 4.24Å; F1051-L1060 HydrophobicContact CB-CG 4.43Å; F1051-L1060 WeakPolarHBondContact CD2-O 3.46Å; M1054-L1060 HydrophobicContact CG-CD2 4.21Å; M1054-L1060 HydrophobicContact SD-CD2 3.79Å; S1058-L1060 PolarHBondContact O-N 2.78Å
1061C94.6Very high91.1Very high7 Ų731.8 Ų31.85%0.04717%0.17CC..  trans-142153.617272.70000110.6L914 C1046 A1049 Q1059 S1063L914-C1061 WeakPolarHBondContact CB-O 3.45Å; C1046-C1061 WeakPolarHBondContact CA-SG 3.33Å; C1046-C1061 HydrophobicContact CB-CB 3.93Å; C1046-C1061 WeakPolarHBondContact CB-SG 3.29Å; C1046-C1061 PolarHBondContact N-SG 3.19Å; C1046-C1061 WeakPolarHBondContact SG-CB 3.26Å; C1046-C1061 CovalentContact SG-SG 2.04Å; C1046-C1061 PolarHBondContact SG-SG 3.07Å; A1049-C1061 HydrophobicContact CB-CB 3.45Å; A1049-C1061 VanDerWaalsContact CB-CB 3.45Å; Q1059-C1061 PolarHBondContact O-N 3.08Å; C1061-S1063 PolarHBondContact O-N 3.16Å; C1061-S1063 VanDerWaalsContact O-N 3.11Å
1062V95.9Very high90.7Very high0 Ų033.5 Ų33.50%018%0.178CC..EExtended strand (participates in β ladder)trans-65.3111173.3177.70000108.5L914 L916 M1043 F1044 F1051L914-V1062 HydrophobicContact CD2-CG2 3.84Å; L914-V1062 HydrophobicContact CG-CG2 4.34Å; L916-V1062 HydrophobicContact CD1-CG1 3.78Å; L916-V1062 HydrophobicContact CD1-CG2 3.96Å; L916-V1062 HydrophobicContact CD2-CG2 4.22Å; L916-V1062 HydrophobicContact CG-CG1 3.75Å; L916-V1062 HydrophobicContact CG-CG2 4.14Å; M1043-V1062 HydrophobicContact CE-CB 4.45Å; M1043-V1062 HydrophobicContact CE-CG2 3.88Å; M1043-V1062 WeakPolarHBondContact O-CB 3.17Å; M1043-V1062 PolarHBondContact O-N 3.01Å; F1044-V1062 WeakPolarHBondContact CA-O 3.38Å; F1044-V1062 HydrophobicContact CD1-CB 3.88Å; F1044-V1062 HydrophobicContact CD1-CG1 3.77Å; F1044-V1062 WeakPolarHBondContact CD1-O 3.16Å; F1044-V1062 HydrophobicContact CE1-CB 4.04Å; F1044-V1062 HydrophobicContact CE1-CG1 3.58Å; F1051-V1062 HydrophobicContact CE2-CG2 4.12Å; F1051-V1062 HydrophobicContact CZ-CG2 3.96Å
1063S94.4Very high90.4Very high18 Ų1831 Ų3113%0.12616%0.16CC..EExtended strand (participates in β ladder)trans-78.3-45.5177-53.30000110.6K913 L914 K1032 C1061K913-S1063 PolarHBondContact N-OG 2.92Å; L914-S1063 PolarHBondContact N-OG 3.28Å; L914-S1063 PolarHBondContact O-N 2.88Å; K1032-S1063 WeakPolarHBondContact CD-O 3.37Å; K1032-S1063 WeakPolarHBondContact CE-O 3.48Å; K1032-S1063 PolarHBondContact NZ-O 2.88Å; C1061-S1063 PolarHBondContact O-N 3.16Å; C1061-S1063 VanDerWaalsContact O-N 3.11Å
1064E92.8Very high90.1Very high44 Ų4427.3 Ų27.321%0.20614%0.144CC..EExtended strand (participates in β ladder)trans-145.1153.2176.8-76.9-55.214400112.3V907 L914 V915 L916 K1032 L1066V907-E1064 HydrophobicContact CG1-CG 4.42Å; L914-E1064 PolarHBondContact O-N 3.06Å; V915-E1064 WeakPolarHBondContact CA-O 3.38Å; L916-E1064 PolarHBondContact N-O 3.44Å; K1032-E1064 WeakPolarHBondContact CD-OE1 3.46Å; K1032-E1064 WeakPolarHBondContact CD-OE2 3.35Å; K1032-E1064 IonicContact NZ-OE1 3.21Å; K1032-E1064 PolarHBondContact NZ-OE1 3.04Å; E1064-L1066 HydrophobicContact CB-CD2 4.43Å; E1064-L1066 HydrophobicContact CB-CG 4.45Å
1065F93.6Very high89.7Confident0 Ų028 Ų280%015%0.147CC..EExtended strand (participates in β ladder)trans-132.6112.9170.3-173.5-177.9000108.9I786 V789 L790 L916 N918 V1031 L1035I786-F1065 HydrophobicContact CB-CZ 4.36Å; I786-F1065 HydrophobicContact CG1-CZ 4.49Å; I786-F1065 HydrophobicContact CG2-CE1 3.92Å; I786-F1065 HydrophobicContact CG2-CZ 3.83Å; V789-F1065 HydrophobicContact CB-CE2 4.2Å; V789-F1065 HydrophobicContact CB-CZ 3.96Å; V789-F1065 HydrophobicContact CG1-CE2 3.91Å; V789-F1065 HydrophobicContact CG1-CZ 3.93Å; L790-F1065 HydrophobicContact CD1-CE1 4.34Å; L790-F1065 HydrophobicContact CD2-CD1 4.41Å; L790-F1065 HydrophobicContact CD2-CE1 3.86Å; L790-F1065 HydrophobicContact CG-CE1 3.86Å; L790-F1065 HydrophobicContact CG-CZ 4.49Å; L916-F1065 HydrophobicContact CB-CB 3.91Å; L916-F1065 HydrophobicContact CB-CD1 4.35Å; L916-F1065 HydrophobicContact CB-CD2 3.4Å; L916-F1065 VanDerWaalsContact CB-CD2 3.4Å; L916-F1065 HydrophobicContact CB-CE2 3.97Å; L916-F1065 HydrophobicContact CB-CG 3.63Å; L916-F1065 HydrophobicContact CD1-CB 4.06Å; L916-F1065 HydrophobicContact CD1-CD1 3.73Å; L916-F1065 HydrophobicContact CD1-CD2 4.3Å; L916-F1065 HydrophobicContact CD1-CE1 4.21Å; L916-F1065 HydrophobicContact CD1-CG 3.79Å; L916-F1065 HydrophobicContact CG-CB 4.32Å; L916-F1065 HydrophobicContact CG-CD2 4.46Å; L916-F1065 HydrophobicContact CG-CG 4.25Å; L916-F1065 WeakPolarHBondContact O-CD2 3.28Å; N918-F1065 HydrophobicContact CB-CE2 4.05Å; V1031-F1065 HydrophobicContact CB-CB 4.13Å; V1031-F1065 HydrophobicContact CB-CD1 3.74Å; V1031-F1065 HydrophobicContact CB-CD2 4.24Å; V1031-F1065 HydrophobicContact CB-CE1 4.2Å; V1031-F1065 HydrophobicContact CB-CG 3.76Å; V1031-F1065 HydrophobicContact CG1-CD1 3.66Å; V1031-F1065 HydrophobicContact CG1-CE1 3.71Å; V1031-F1065 HydrophobicContact CG1-CG 4.2Å; V1031-F1065 HydrophobicContact CG1-CZ 4.31Å; V1031-F1065 HydrophobicContact CG2-CD1 4.41Å; V1031-F1065 HydrophobicContact CG2-CD2 4.12Å; V1031-F1065 HydrophobicContact CG2-CE2 4.34Å; V1031-F1065 HydrophobicContact CG2-CG 4.16Å; V1031-F1065 PolarHBondContact N-O 2.81Å; L1035-F1065 HydrophobicContact CD1-CD1 3.62Å; L1035-F1065 HydrophobicContact CD1-CE1 3.93Å
1066L91.4Very high89.1Confident15 Ų1529.1 Ų29.18%0.07915%0.151CC..EExtended strand (participates in β ladder)trans-112.7121.2-171.8-53.9176.4000109.3L902 I903 V907 V915 L916 N918 E1064L902-L1066 HydrophobicContact CD1-CB 4.03Å; L902-L1066 HydrophobicContact CD2-CB 4.3Å; L902-L1066 HydrophobicContact CG-CB 4.13Å; I903-L1066 HydrophobicContact CB-CD1 4.22Å; I903-L1066 HydrophobicContact CD1-CD1 3.73Å; I903-L1066 HydrophobicContact CG1-CD1 3.6Å; I903-L1066 HydrophobicContact CG2-CD1 3.97Å; V907-L1066 HydrophobicContact CG1-CD1 4.05Å; V907-L1066 HydrophobicContact CG1-CD2 4.17Å; V915-L1066 HydrophobicContact CG1-CD1 4.33Å; L916-L1066 PolarHBondContact O-N 3.26Å; N918-L1066 PolarHBondContact N-O 3.02Å; E1064-L1066 HydrophobicContact CB-CD2 4.43Å; E1064-L1066 HydrophobicContact CB-CG 4.45Å
1067H91.9Very high88.5Confident1 Ų122.3 Ų22.31%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-115.9139174.2174.973.5000111L781 S782 I786 N918 S1028 L1029 V1031L781-H1067 WeakPolarHBondContact CA-NE2 3.44Å; L781-H1067 WeakPolarHBondContact CB-NE2 3.26Å; S782-H1067 PolarHBondContact N-CE1 2.84Å; S782-H1067 PolarHBondContact N-NE2 3Å; I786-H1067 HydrophobicContact CD1-CB 4.13Å; I786-H1067 HydrophobicContact CG1-CB 4.16Å; N918-H1067 CarbonylContact O-C 3.49Å; N918-H1067 VanDerWaalsContact O-CA 3.22Å; N918-H1067 WeakPolarHBondContact O-CA 3.29Å; N918-H1067 PolarHBondContact OD1-CE1 3.34Å; N918-H1067 PolarHBondContact OD1-ND1 3.47Å; S1028-H1067 CarbonylContact C-O 3.52Å; S1028-H1067 WeakPolarHBondContact CA-O 3.36Å; L1029-H1067 HydrophobicContact CB-CB 4.28Å; L1029-H1067 PolarHBondContact N-O 3.14Å; L1029-H1067 PolarHBondContact O-N 3.1Å; L1029-H1067 VanDerWaalsContact O-N 3.14Å; V1031-H1067 HydrophobicContact CG2-CB 3.33Å
1068K89.2Confident87.7Confident8 Ų820.1 Ų20.14%0.03511%0.108CC..EExtended strand (participates in β ladder)trans-143133.3169.5-170.1168.8173.9-162.40111I899 Q901 L902 N918 A919 V920 E1026 H1027 S1028I899-K1068 HydrophobicContact CD1-CG 4.45Å; I899-K1068 HydrophobicContact CG2-CB 4.28Å; I899-K1068 HydrophobicContact CG2-CD 3.62Å; I899-K1068 HydrophobicContact CG2-CG 4.02Å; Q901-K1068 WeakPolarHBondContact O-CD 3.49Å; Q901-K1068 PolarHBondContact O-NZ 3.45Å; L902-K1068 HydrophobicContact CD1-CB 3.49Å; L902-K1068 VanDerWaalsContact CD1-CB 3.49Å; N918-K1068 PolarHBondContact O-N 2.75Å; A919-K1068 WeakPolarHBondContact CA-O 3.48Å; V920-K1068 PolarHBondContact N-O 3.38Å; E1026-K1068 WeakPolarHBondContact OE1-CE 3.26Å; E1026-K1068 IonicContact OE1-NZ 2.7Å; E1026-K1068 PolarHBondContact OE1-NZ 3.01Å; H1027-K1068 WeakPolarHBondContact O-CA 3.38Å; S1028-K1068 WeakPolarHBondContact OG-CD 3.46Å
1069A88.2Confident85.8Confident0 Ų017.2 Ų17.20%08%0.084CC..EExtended strand (participates in β ladder)trans-129146.7-178.500000111.6F780 V920 E1026 H1027 F1122F780-A1069 HydrophobicContact CD1-CB 3.6Å; F780-A1069 HydrophobicContact CE1-CB 3.64Å; V920-A1069 HydrophobicContact CG1-CB 4.19Å; V920-A1069 WeakPolarHBondContact O-CA 3.35Å; E1026-A1069 WeakPolarHBondContact CA-O 3.45Å; H1027-A1069 PolarHBondContact N-O 3.06Å; H1027-A1069 PolarHBondContact O-N 3.14Å; A1069-F1122 HydrophobicContact CB-CE1 4.46Å
1070F85.7Confident83.1Confident7 Ų713.6 Ų13.63%0.0318%0.075CC..EExtended strand (participates in β ladder)trans-131137.5-178.9179.4-72.9000111.1K898 I899 V920 Y921 K1024 L1025 E1026 E1072K898-F1070 HydrophobicContact CD-CE1 4.37Å; K898-F1070 HydrophobicContact CD-CZ 4.31Å; I899-F1070 HydrophobicContact CD1-CB 4.38Å; I899-F1070 HydrophobicContact CG1-CB 4.37Å; V920-F1070 PolarHBondContact O-N 3.36Å; Y921-F1070 HydrophobicContact CD2-CB 4.31Å; Y921-F1070 AromaticContact CD2-CD1 3.52Å; Y921-F1070 HydrophobicContact CD2-CD1 3.52Å; Y921-F1070 HydrophobicContact CD2-CE1 4.15Å; Y921-F1070 HydrophobicContact CD2-CG 4.15Å; Y921-F1070 AromaticContact CE2-CD1 3.57Å; Y921-F1070 HydrophobicContact CE2-CD1 3.57Å; Y921-F1070 AromaticContact CE2-CE1 3.72Å; Y921-F1070 HydrophobicContact CE2-CE1 3.72Å; K1024-F1070 VanDerWaalsContact CE-CZ 3.45Å; K1024-F1070 HydrophobicContact CG-CZ 4.46Å; L1025-F1070 WeakPolarHBondContact O-CA 3.4Å; E1026-F1070 HydrophobicContact CB-CD2 4.18Å; E1026-F1070 HydrophobicContact CG-CD2 4.2Å; F1070-E1072 HydrophobicContact CE1-CB 4.12Å
1071V85.3Confident79.6Confident0 Ų016.8 Ų16.80%010%0.102CC..EExtended strand (participates in β ladder)trans-148144.9172.165.50000111.3F780 K1024 L1025 V1073 T1078 F1110 I1112F780-V1071 HydrophobicContact CD1-CB 4.5Å; F780-V1071 HydrophobicContact CD1-CG1 3.92Å; F780-V1071 HydrophobicContact CD2-CG1 4.26Å; F780-V1071 HydrophobicContact CE1-CB 3.67Å; F780-V1071 HydrophobicContact CE1-CG1 3.53Å; F780-V1071 HydrophobicContact CE2-CB 4.36Å; F780-V1071 HydrophobicContact CE2-CG1 3.89Å; F780-V1071 HydrophobicContact CG-CG1 4.27Å; F780-V1071 HydrophobicContact CZ-CB 3.57Å; F780-V1071 HydrophobicContact CZ-CG1 3.5Å; F780-V1071 HydrophobicContact CZ-CG2 4.36Å; K1024-V1071 WeakPolarHBondContact CA-O 3.17Å; L1025-V1071 HydrophobicContact CB-CG1 4Å; L1025-V1071 PolarHBondContact N-O 3.41Å; L1025-V1071 PolarHBondContact O-N 2.98Å; V1071-V1073 HydrophobicContact CG2-CG2 4.13Å; V1071-T1078 HydrophobicContact CG2-CG2 3.81Å; V1071-F1110 HydrophobicContact CG1-CE2 4.15Å; V1071-F1110 HydrophobicContact CG1-CZ 4.18Å; V1071-I1112 HydrophobicContact CG2-CD1 4.18Å
1072E86.8Confident76.1Confident44 Ų4420.2 Ų20.221%0.20613%0.131CC..EExtended strand (participates in β ladder)trans-138.5100.1175-173.4-179.6128.200111.3F1023 K1024 F1070 T1078F1023-E1072 CarbonylContact O-C 3.46Å; F1023-E1072 WeakPolarHBondContact O-CA 3.39Å; K1024-E1072 HydrophobicContact CB-CG 4.12Å; K1024-E1072 HydrophobicContact CD-CG 4.49Å; K1024-E1072 WeakPolarHBondContact CD-OE2 3.3Å; K1024-E1072 WeakPolarHBondContact CE-OE2 3.46Å; K1024-E1072 HydrophobicContact CG-CB 4.18Å; K1024-E1072 HydrophobicContact CG-CG 4.12Å; K1024-E1072 IonicContact NZ-OE2 2.86Å; K1024-E1072 PolarHBondContact NZ-OE2 2.91Å; F1070-E1072 HydrophobicContact CE1-CB 4.12Å; E1072-T1078 VanDerWaalsContact O-CA 3.22Å; E1072-T1078 WeakPolarHBondContact O-CA 3.44Å; E1072-T1078 WeakPolarHBondContact O-CG2 3.46Å
1073V89.3Confident72.6Confident0 Ų025.1 Ų25.10%017%0.171CC..EExtended strand (participates in β ladder)trans-86.9118.3-176.9174.60000110.2W926 M953 L981 K1022 F1023 V1071W926-V1073 HydrophobicContact CZ2-CG1 4.13Å; M953-V1073 HydrophobicContact CE-CG1 3.94Å; L981-V1073 HydrophobicContact CD2-CG1 4.35Å; L981-V1073 HydrophobicContact CD2-CG2 4.43Å; K1022-V1073 WeakPolarHBondContact CA-O 3.4Å; F1023-V1073 HydrophobicContact CD1-CB 4.1Å; F1023-V1073 HydrophobicContact CD1-CG1 4.4Å; F1023-V1073 HydrophobicContact CD2-CB 4.44Å; F1023-V1073 HydrophobicContact CD2-CG2 4.43Å; F1023-V1073 HydrophobicContact CE1-CB 3.88Å; F1023-V1073 HydrophobicContact CE1-CG1 4.03Å; F1023-V1073 HydrophobicContact CE1-CG2 3.96Å; F1023-V1073 HydrophobicContact CE2-CB 4.25Å; F1023-V1073 HydrophobicContact CE2-CG2 3.81Å; F1023-V1073 HydrophobicContact CG-CB 4.38Å; F1023-V1073 HydrophobicContact CZ-CB 3.97Å; F1023-V1073 HydrophobicContact CZ-CG1 4.45Å; F1023-V1073 HydrophobicContact CZ-CG2 3.55Å; F1023-V1073 PolarHBondContact N-O 3.2Å; F1023-V1073 VanDerWaalsContact N-O 3.08Å; F1023-V1073 PolarHBondContact O-N 2.84Å; V1071-V1073 HydrophobicContact CG2-CG2 4.13Å
1074N88.5Confident69.2Low9 Ų930.4 Ų30.45%0.04821%0.208CC..  trans-144-174.4179.867.154.2000113W926 M953 K1022 E1076 G1077W926-N1074 PolarHBondContact NE1-O 2.65Å; M953-N1074 VanDerWaalsContact SD-CA 3.58Å; K1022-N1074 HydrophobicContact CD-CB 4.22Å; K1022-N1074 HydrophobicContact CG-CB 4.14Å; N1074-E1076 VanDerWaalsContact C-N 3.27Å; N1074-E1076 PolarHBondContact O-N 3.38Å; N1074-E1076 PolarHBondContact OD1-N 2.89Å; N1074-G1077 CarbonylContact C-O 3.5Å; N1074-G1077 PolarHBondContact N-O 3.44Å; N1074-G1077 PolarHBondContact O-N 2.99Å; N1074-G1077 PolarHBondContact OD1-O 3.49Å
1075E86.7Confident65.7Low15 Ų1533.1 Ų33.17%0.0724%0.238CC..SBendtrans-69.1-24.6-168.1-60.988.715800113.7F930 T932 T935 M953 K1022F930-E1075 HydrophobicContact CB-CB 3.98Å; F930-E1075 HydrophobicContact CB-CG 4.27Å; F930-E1075 PolarHBondContact N-O 2.04Å; T932-E1075 HydrophobicContact CG2-CB 3.72Å; T932-E1075 HydrophobicContact CG2-CG 3.88Å; T935-E1075 VanDerWaalsContact OG1-CG 3.28Å; T935-E1075 WeakPolarHBondContact OG1-CG 3.33Å; T935-E1075 PolarHBondContact OG1-OE1 2.96Å; M953-E1075 HydrophobicContact CG-CG 4.02Å; M953-E1075 HydrophobicContact SD-CB 4.32Å; M953-E1075 HydrophobicContact SD-CG 3.77Å; M953-E1075 PolarHBondContact SD-N 3.38Å; K1022-E1075 WeakPolarHBondContact CE-OE2 3.35Å; K1022-E1075 IonicContact NZ-OE1 3.2Å; K1022-E1075 PolarHBondContact NZ-OE1 3.47Å; K1022-E1075 IonicContact NZ-OE2 3.98Å; K1022-E1075 PolarHBondContact NZ-OE2 2.87Å
1076E79.7Confident62.2Low27 Ų2737.9 Ų37.913%0.12628%0.277CS..SBendtrans-86.1-27.5-178.8-64.5-82.1162.900111.9W926 K929 N1074 A1081 A1082W926-E1076 VanDerWaalsContact CD1-C 3.41Å; W926-E1076 PolarHBondContact N-O 3.16Å; K929-E1076 HydrophobicContact CD-CB 4.45Å; K929-E1076 VanDerWaalsContact CD-OE2 3.29Å; K929-E1076 WeakPolarHBondContact CD-OE2 3.34Å; K929-E1076 WeakPolarHBondContact CE-O 3.45Å; K929-E1076 WeakPolarHBondContact CE-OE2 3.34Å; K929-E1076 IonicContact NZ-OE2 2.56Å; K929-E1076 PolarHBondContact NZ-OE2 2.99Å; N1074-E1076 VanDerWaalsContact C-N 3.27Å; N1074-E1076 PolarHBondContact O-N 3.38Å; N1074-E1076 PolarHBondContact OD1-N 2.89Å; E1076-A1081 VanDerWaalsContact CD-CA 3.49Å; E1076-A1081 HydrophobicContact CG-CB 3.8Å; E1076-A1081 WeakPolarHBondContact OE2-CA 3.24Å; E1076-A1082 WeakPolarHBondContact OE1-CA 3.17Å; E1076-A1082 PolarHBondContact OE1-N 3.3Å; E1076-A1082 PolarHBondContact OE2-N 3.38Å
1077G73.5Confident58.8Low0 Ų044.8 Ų44.80%031%0.313CS..EExtended strand (participates in β ladder)trans154.8-152.7-171.100000110.4G924 W926 N1074 E1079G924-G1077 CarbonylContact O-C 3.57Å; G924-G1077 VanDerWaalsContact O-CA 3.24Å; G924-G1077 WeakPolarHBondContact O-CA 3.45Å; W926-G1077 VanDerWaalsContact CD1-CA 3.43Å; N1074-G1077 CarbonylContact C-O 3.5Å; N1074-G1077 PolarHBondContact N-O 3.44Å; N1074-G1077 PolarHBondContact O-N 2.99Å; N1074-G1077 PolarHBondContact OD1-O 3.49Å; G1077-E1079 PolarHBondContact O-N 3.28Å
1078T68.9Low55.4Low2 Ų252.4 Ų52.41%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-82.773153.1-50.50000108.5F922 K923 G924 Y974 V1071 E1072F922-T1078 HydrophobicContact CD1-CG2 4.02Å; F922-T1078 HydrophobicContact CE1-CG2 4.44Å; F922-T1078 WeakPolarHBondContact O-CG2 3.26Å; K923-T1078 CarbonylContact C-O 3.54Å; K923-T1078 VanDerWaalsContact CA-O 3.22Å; K923-T1078 WeakPolarHBondContact CA-O 3.43Å; K923-T1078 WeakPolarHBondContact CG-O 3.35Å; G924-T1078 PolarHBondContact N-O 2.71Å; G924-T1078 PolarHBondContact O-N 3.24Å; Y974-T1078 PolarHBondContact OH-OG1 2.69Å; V1071-T1078 HydrophobicContact CG2-CG2 3.81Å; E1072-T1078 VanDerWaalsContact O-CA 3.22Å; E1072-T1078 WeakPolarHBondContact O-CA 3.44Å; E1072-T1078 WeakPolarHBondContact O-CG2 3.46Å
1079E42.8Very low52.3Low38 Ų3859.8 Ų59.818%0.17839%0.388CS..SBendtrans60.9134.3-178.6-175.5-153.495.400115.7K898 Y921 K923 G1077K898-E1079 IonicContact NZ-OE1 2.65Å; K898-E1079 IonicContact NZ-OE2 2.97Å; K898-E1079 PolarHBondContact NZ-OE2 3.32Å; Y921-E1079 PolarHBondContact OH-OE1 2.99Å; Y921-E1079 VanDerWaalsContact OH-OE1 3.08Å; K923-E1079 WeakPolarHBondContact CE-O 3.4Å; K923-E1079 HydrophobicContact CG-CB 4.47Å; K923-E1079 WeakPolarHBondContact CG-O 3.35Å; K923-E1079 VanDerWaalsContact NZ-C 3.26Å; K923-E1079 PolarHBondContact NZ-O 2.83Å; K923-E1079 IonicContact NZ-OE1 2.71Å; K923-E1079 PolarHBondContact NZ-OE1 3.09Å; G1077-E1079 PolarHBondContact O-N 3.28Å
1080A31Very low49.2Very low46 Ų4667.7 Ų67.738%0.3843%0.431SS..  cis163.9154.5-14.400000105.9
1081A21.6Very low46.4Very low71 Ų7179.2 Ų79.259%0.58747%0.474SS*.  cis-159.8170.9-500000112.6E1076E1076-A1081 VanDerWaalsContact CD-CA 3.49Å; E1076-A1081 HydrophobicContact CG-CB 3.8Å; E1076-A1081 WeakPolarHBondContact OE2-CA 3.24Å
1082A21.7Very low43.6Very low80 Ų8083.4 Ų83.466%0.66151%0.509SS*.  trans72.993.8148.100000119.5E1076E1076-A1082 WeakPolarHBondContact OE1-CA 3.17Å; E1076-A1082 PolarHBondContact OE1-N 3.3Å; E1076-A1082 PolarHBondContact OE2-N 3.38Å
1083A22.3Very low40.8Very low103 Ų10385.5 Ų85.585%0.85153%0.533SS*.  trans-158144.7131.200000109.8
1084S22Very low38.2Very low129 Ų12992.6 Ų92.690%0.90257%0.565SS**  trans-126.4148.8-168.9570000114.5
1085A19.9Very low35.5Very low100 Ų10097.5 Ų97.583%0.82659%0.594SS**  trans-146.2148.1170.100000110.1
1086A19.8Very low33.1Very low100 Ų100105.7 Ų105.783%0.82663%0.633SS**  trans-106.7153.2-174.300000112.7
1087I21.1Very low31.6Very low160 Ų160111.3 Ų111.382%0.82166%0.659SS**  trans-126.3138.8176.8-61.3179.3000109.5
1088I20.1Very low31Very low161 Ų161122.7 Ų122.783%0.82670%0.702SS**  trans-95.2136.9179.1-61.8169.5000109.2
1089M22.6Very low31.4Very low163 Ų163127.5 Ų127.580%0.80372%0.724SS**  trans-108.4131.7173.3-71.1179.9168.800111.3
1090N23.2Very low33.6Very low167 Ų167127.8 Ų127.889%0.89373%0.726SS**  trans-102.6146.5161.7-89.2-28.4000109.6
1091R27Very low36.6Very low249 Ų249131.2 Ų131.294%0.9473%0.73SS**  trans-106.7141.5-174.9-66.7-179.8173.5-171.9-3.8112.4
1092A27.3Very low40.2Very low88 Ų88127.9 Ų127.973%0.72770%0.702SS**  trans-137.3164.8159.100000109.2
1093A27.9Very low43.7Very low87 Ų87126.5 Ų126.572%0.71969%0.686SS**PPolyproline II helixtrans-72.9131.2-164.300000114.1I692I692-A1093 WeakPolarHBondContact CD1-O 3.34Å
1094F33.8Very low47.3Very low150 Ų150121.6 Ų121.666%0.65865%0.645SS**PPolyproline II helixtrans-81.3148.5-179.9-94.8-110.4000113.4
1095V32.4Very low50.8Low111 Ų111116.6 Ų116.667%0.67361%0.608SS**PPolyproline II helixtrans-73.1131.5143.8174.50000106.7E1097V1095-E1097 VanDerWaalsContact C-N 3.28Å; V1095-E1097 PolarHBondContact O-N 3.04Å
1096Q36.7Very low54.3Low188 Ų188112.4 Ų112.488%0.87957%0.572SS**  trans-80.875.1-173.1-164.3173.515.900111.8
1097E48.3Very low57.9Low144 Ų144108.3 Ų108.367%0.67354%0.537SS*.  trans-53.9146.1160.4-68175.1-17600109.6V1095 E1099V1095-E1097 VanDerWaalsContact C-N 3.28Å; V1095-E1097 PolarHBondContact O-N 3.04Å; E1097-E1099 PolarHBondContact O-N 3.46Å; E1097-E1099 VanDerWaalsContact O-N 3.15Å
1098R61Low61.4Low240 Ų240100.7 Ų100.791%0.90650%0.498SS*.  trans-65.5116176.1-92.2-177.2168.7178.8-3.3108.7I1100R1098-I1100 PolarHBondContact O-N 3.44Å
1099E77.2Confident65Low103 Ų10393 Ų9348%0.48146%0.458SS..  trans-61.3113.3171-64.4-166.2103.900109.3K956 E1097 Y1101K956-E1099 IonicContact NZ-OE1 3.76Å; K956-E1099 PolarHBondContact NZ-OE1 3.05Å; E1097-E1099 PolarHBondContact O-N 3.46Å; E1097-E1099 VanDerWaalsContact O-N 3.15Å; E1099-Y1101 HydrophobicContact CB-CD2 4.43Å; E1099-Y1101 HydrophobicContact CB-CE2 3.7Å; E1099-Y1101 WeakPolarHBondContact O-CD2 3.3Å; E1099-Y1101 WeakPolarHBondContact O-CE2 3.42Å; E1099-Y1101 PolarHBondContact OE2-OH 3.46Å
1100I89.1Confident68.4Low43 Ų4385.3 Ų85.322%0.22142%0.42CS..EExtended strand (participates in β ladder)trans-79128.6175.8-56.6175.1000107.5Y961 C1014 V1016 T1017 R1098Y961-I1100 HydrophobicContact CD1-CD1 4.49Å; Y961-I1100 HydrophobicContact CD1-CG2 4.47Å; Y961-I1100 HydrophobicContact CD2-CG2 4.37Å; Y961-I1100 HydrophobicContact CE1-CD1 4.35Å; Y961-I1100 HydrophobicContact CE1-CG2 3.94Å; Y961-I1100 HydrophobicContact CE2-CG2 3.8Å; C1014-I1100 HydrophobicContact CB-CD1 4.43Å; V1016-I1100 HydrophobicContact CG1-CG2 4.09Å; V1016-I1100 HydrophobicContact CG2-CB 4.3Å; V1016-I1100 HydrophobicContact CG2-CG2 4.1Å; T1017-I1100 PolarHBondContact N-O 2.82Å; R1098-I1100 PolarHBondContact O-N 3.44Å
1101Y93.6Very high71.8Confident119 Ų11977.4 Ų77.447%0.46738%0.378SS..EExtended strand (participates in β ladder)trans-115130.9176.2-66.9-87.7000109.6Q968 T1017 E1099Q968-Y1101 PolarHBondContact NE2-O 3.27Å; T1017-Y1101 HydrophobicContact CG2-CD1 3.92Å; T1017-Y1101 HydrophobicContact CG2-CE1 3.94Å; T1017-Y1101 WeakPolarHBondContact O-CA 3.46Å; E1099-Y1101 HydrophobicContact CB-CD2 4.43Å; E1099-Y1101 HydrophobicContact CB-CE2 3.7Å; E1099-Y1101 WeakPolarHBondContact O-CD2 3.3Å; E1099-Y1101 WeakPolarHBondContact O-CE2 3.42Å; E1099-Y1101 PolarHBondContact OE2-OH 3.46Å
1102F96.5Very high75Confident0 Ų065.5 Ų65.50%033%0.333CS..EExtended strand (participates in β ladder)trans-121.4103.9171.3-173.4-85.7000108.1Y961 Q968 L970 I983 L985 V1016 T1017 V1018 T1019 I1020 A1104Y961-F1102 HydrophobicContact CE2-CD2 4.26Å; Q968-F1102 HydrophobicContact CB-CD2 3.84Å; Q968-F1102 HydrophobicContact CB-CE2 3.84Å; L970-F1102 HydrophobicContact CB-CD1 3.94Å; L970-F1102 HydrophobicContact CB-CD2 3.81Å; L970-F1102 HydrophobicContact CB-CE1 3.78Å; L970-F1102 HydrophobicContact CB-CE2 3.64Å; L970-F1102 HydrophobicContact CB-CG 3.94Å; L970-F1102 HydrophobicContact CB-CZ 3.62Å; L970-F1102 HydrophobicContact CD2-CD1 3.58Å; L970-F1102 HydrophobicContact CD2-CE1 3.83Å; L970-F1102 HydrophobicContact CD2-CG 4.1Å; L970-F1102 HydrophobicContact CG-CD1 4.34Å; L970-F1102 HydrophobicContact CG-CE1 4.47Å; L970-F1102 HydrophobicContact CG-CG 4.49Å; I983-F1102 HydrophobicContact CB-CE1 4.1Å; I983-F1102 HydrophobicContact CB-CZ 3.86Å; I983-F1102 HydrophobicContact CG2-CE1 3.94Å; I983-F1102 HydrophobicContact CG2-CZ 3.73Å; I983-F1102 WeakPolarHBondContact O-CZ 3.39Å; L985-F1102 HydrophobicContact CB-CE2 3.7Å; L985-F1102 HydrophobicContact CB-CZ 3.63Å; L985-F1102 HydrophobicContact CD2-CD2 4.38Å; L985-F1102 HydrophobicContact CD2-CE1 4.41Å; L985-F1102 HydrophobicContact CD2-CE2 4.15Å; L985-F1102 HydrophobicContact CD2-CZ 4.17Å; V1016-F1102 HydrophobicContact CG1-CB 3.79Å; T1017-F1102 PolarHBondContact O-N 2.97Å; V1018-F1102 WeakPolarHBondContact CA-O 3.43Å; T1019-F1102 PolarHBondContact N-O 2.85Å; I1020-F1102 HydrophobicContact CG2-CD1 4.09Å; I1020-F1102 HydrophobicContact CG2-CE1 4.01Å; F1102-A1104 HydrophobicContact CE1-CB 4.16Å
1103V96.6Very high78Confident52 Ų5261.3 Ų61.332%0.31530%0.299SS..EExtended strand (participates in β ladder)trans-122.696-171.3-176.70000108.9L985 T1019 D1105L985-V1103 WeakPolarHBondContact CD2-O 3.39Å; T1019-V1103 HydrophobicContact CG2-CG1 4.46Å; T1019-V1103 WeakPolarHBondContact O-CA 3.43Å; V1103-D1105 HydrophobicContact CG1-CB 4.07Å; V1103-D1105 PolarHBondContact O-N 2.85Å
1104A96.5Very high80.9Confident0 Ų057.9 Ų57.90%027%0.268CS..  trans-80.456.3-174.200000112.2F940 L985 T1019 I1020 F1102 H1106 F1108F940-A1104 WeakPolarHBondContact CE2-O 3.3Å; L985-A1104 HydrophobicContact CD1-CB 4.3Å; T1019-A1104 PolarHBondContact O-N 3.12Å; I1020-A1104 HydrophobicContact CB-CB 4.46Å; I1020-A1104 HydrophobicContact CG2-CB 3.94Å; F1102-A1104 HydrophobicContact CE1-CB 4.16Å; A1104-H1106 VanDerWaalsContact C-N 3.32Å; A1104-H1106 PolarHBondContact O-N 2.78Å; A1104-F1108 HydrophobicContact CB-CD1 3.73Å; A1104-F1108 HydrophobicContact CB-CE1 3.73Å
1105D95.1Very high83.4Confident23 Ų2352.8 Ų52.812%0.12325%0.247CC..  trans-85.69.2-174.667.127.4000115.2F940 Y941 M952 R989 V1103F940-D1105 CarbonylContact C-O 3.55Å; F940-D1105 VanDerWaalsContact CA-O 3.3Å; F940-D1105 WeakPolarHBondContact CA-O 3.4Å; Y941-D1105 HydrophobicContact CD2-CB 4.13Å; Y941-D1105 WeakPolarHBondContact CD2-O 3.4Å; Y941-D1105 HydrophobicContact CE2-CB 4.34Å; Y941-D1105 PolarHBondContact N-O 3.35Å; M952-D1105 HydrophobicContact CE-CB 4.41Å; R989-D1105 IonicContact CZ-OD1 2.68Å; R989-D1105 VanDerWaalsContact CZ-OD1 3.31Å; R989-D1105 IonicContact CZ-OD2 3.81Å; R989-D1105 IonicContact NE-OD1 2.68Å; R989-D1105 PolarHBondContact NE-OD1 3.47Å; R989-D1105 IonicContact NE-OD2 3.23Å; R989-D1105 IonicContact NH2-OD1 3.41Å; R989-D1105 PolarHBondContact NH2-OD1 3.33Å; R989-D1105 VanDerWaalsContact NH2-OD1 3.08Å; R989-D1105 IonicContact NH2-OD2 2.7Å; R989-D1105 PolarHBondContact NH2-OD2 3.45Å; V1103-D1105 HydrophobicContact CG1-CB 4.07Å; V1103-D1105 PolarHBondContact O-N 2.85Å
1106H94.7Very high85.7Confident13 Ų1350 Ų506%0.0623%0.227CC..BIsolated β-bridgetrans-156178.3-18060.6-82.7000109.6F940 P986 R989 A1104 F1108F940-H1106 WeakPolarHBondContact CE2-O 3.31Å; F940-H1106 VanDerWaalsContact CZ-CA 3.5Å; F940-H1106 VanDerWaalsContact CZ-O 3.31Å; F940-H1106 WeakPolarHBondContact CZ-O 3.14Å; P986-H1106 PolarHBondContact O-NE2 3.24Å; R989-H1106 HydrophobicContact CG-CB 4.21Å; A1104-H1106 VanDerWaalsContact C-N 3.32Å; A1104-H1106 PolarHBondContact O-N 2.78Å; H1106-F1108 VanDerWaalsContact O-CD1 3.27Å; H1106-F1108 WeakPolarHBondContact O-CD1 3.36Å; H1106-F1108 PolarHBondContact O-N 3.39Å
1107S94.4Very high87.8Confident13 Ų1341.3 Ų41.39%0.09119%0.186CC..  trans-58.6130.5-171.8-167.40000113.4R1125 Y1126S1107-R1125 WeakPolarHBondContact OG-CD 3.42Å; S1107-R1125 WeakPolarHBondContact OG-CG 3.27Å; S1107-Y1126 WeakPolarHBondContact CA-O 3.35Å; S1107-Y1126 WeakPolarHBondContact CB-O 3.37Å; S1107-Y1126 PolarHBondContact OG-O 3.43Å
1108F95.5Very high89.6Confident0 Ų036.4 Ų36.40%016%0.162CC..EExtended strand (participates in β ladder)trans-136.3159.8-176.857-106.8000111.8F940 I983 L985 P1021 F1023 A1104 H1106 F1110 R1125 Y1126F940-F1108 HydrophobicContact CE2-CD1 4.47Å; F940-F1108 HydrophobicContact CE2-CE1 4.16Å; I983-F1108 HydrophobicContact CG2-CB 4.19Å; I983-F1108 HydrophobicContact CG2-CD1 4.47Å; I983-F1108 HydrophobicContact CG2-CD2 3.6Å; I983-F1108 HydrophobicContact CG2-CE2 4.03Å; I983-F1108 HydrophobicContact CG2-CG 3.86Å; L985-F1108 HydrophobicContact CD1-CB 3.96Å; P1021-F1108 HydrophobicContact CG-CE1 3.64Å; P1021-F1108 HydrophobicContact CG-CZ 3.78Å; F1023-F1108 HydrophobicContact CD1-CZ 4.41Å; F1023-F1108 HydrophobicContact CE1-CE2 4.19Å; F1023-F1108 AromaticContact CE1-CZ 3.9Å; F1023-F1108 HydrophobicContact CE1-CZ 3.9Å; F1023-F1108 HydrophobicContact CZ-CE2 4.41Å; A1104-F1108 HydrophobicContact CB-CD1 3.73Å; A1104-F1108 HydrophobicContact CB-CE1 3.73Å; H1106-F1108 VanDerWaalsContact O-CD1 3.27Å; H1106-F1108 WeakPolarHBondContact O-CD1 3.36Å; H1106-F1108 PolarHBondContact O-N 3.39Å; F1108-F1110 HydrophobicContact CD2-CB 4.25Å; F1108-F1110 HydrophobicContact CD2-CD1 4.42Å; F1108-F1110 HydrophobicContact CE2-CB 4.13Å; F1108-F1110 HydrophobicContact CE2-CD1 4.09Å; F1108-F1110 HydrophobicContact CE2-CG 4.44Å; F1108-R1125 WeakPolarHBondContact O-CA 3.4Å; F1108-Y1126 HydrophobicContact CD1-CD1 4.41Å; F1108-Y1126 AromaticContact CE1-CD1 3.6Å; F1108-Y1126 HydrophobicContact CE1-CD1 3.6Å; F1108-Y1126 HydrophobicContact CE1-CE1 4.49Å; F1108-Y1126 HydrophobicContact CE1-CG 4.24Å; F1108-Y1126 VanDerWaalsContact CE2-CB 3.48Å; F1108-Y1126 HydrophobicContact CE2-CD1 4.43Å; F1108-Y1126 HydrophobicContact CE2-CG 4.27Å; F1108-Y1126 AromaticContact CZ-CD1 3.61Å; F1108-Y1126 HydrophobicContact CZ-CD1 3.61Å; F1108-Y1126 AromaticContact CZ-CG 3.83Å; F1108-Y1126 HydrophobicContact CZ-CG 3.83Å; F1108-Y1126 PolarHBondContact N-O 2.96Å; F1108-Y1126 PolarHBondContact O-N 2.77Å
1109L95.3Very high90.8Very high0 Ų025 Ų250%012%0.119CC..EExtended strand (participates in β ladder)trans-85.5146.5164.4-67.5179.1000109.1W764 Y767 I983 V984 M992 F995 E996 L1004 G1124 R1125W764-L1109 HydrophobicContact CH2-CD1 3.85Å; W764-L1109 HydrophobicContact CZ3-CD1 4.06Å; Y767-L1109 HydrophobicContact CE1-CD2 3.78Å; Y767-L1109 WeakPolarHBondContact OH-CD2 3.38Å; I983-L1109 WeakPolarHBondContact CA-O 3.42Å; V984-L1109 HydrophobicContact CB-CB 4.19Å; V984-L1109 PolarHBondContact N-O 3.23Å; V984-L1109 PolarHBondContact O-N 2.9Å; M992-L1109 HydrophobicContact CE-CB 4.4Å; M992-L1109 HydrophobicContact CE-CD2 3.46Å; M992-L1109 VanDerWaalsContact CE-CD2 3.46Å; M992-L1109 HydrophobicContact CE-CG 3.58Å; F995-L1109 HydrophobicContact CD1-CD1 4.46Å; F995-L1109 HydrophobicContact CE1-CD1 3.98Å; F995-L1109 HydrophobicContact CE1-CG 4.41Å; E996-L1109 HydrophobicContact CG-CD2 4.22Å; L1004-L1109 HydrophobicContact CD2-CD1 4.45Å; L1109-G1124 CarbonylContact C-O 3.49Å; L1109-G1124 WeakPolarHBondContact CA-O 3.48Å; L1109-R1125 HydrophobicContact CD2-CB 4.49Å
1110F94.7Very high91.4Very high1 Ų120.2 Ų20.20%0.00410%0.097CC..EExtended strand (participates in β ladder)trans-136.6142.9167.171.5-82.6000110.7F780 L981 Y982 I983 F1023 L1025 V1071 F1108 G1124F780-F1110 HydrophobicContact CD2-CE1 4.47Å; F780-F1110 AromaticContact CD2-CE2 3.72Å; F780-F1110 HydrophobicContact CD2-CE2 3.72Å; F780-F1110 AromaticContact CD2-CZ 3.43Å; F780-F1110 HydrophobicContact CD2-CZ 3.43Å; F780-F1110 VanDerWaalsContact CD2-CZ 3.43Å; F780-F1110 AromaticContact CE2-CE2 3.48Å; F780-F1110 HydrophobicContact CE2-CE2 3.48Å; F780-F1110 VanDerWaalsContact CE2-CE2 3.48Å; F780-F1110 AromaticContact CE2-CZ 3.72Å; F780-F1110 HydrophobicContact CE2-CZ 3.72Å; F780-F1110 HydrophobicContact CG-CZ 4.28Å; F780-F1110 HydrophobicContact CZ-CE2 4.44Å; L981-F1110 HydrophobicContact CD1-CB 4.17Å; L981-F1110 HydrophobicContact CD1-CD2 3.91Å; Y982-F1110 CarbonylContact O-C 3.51Å; Y982-F1110 VanDerWaalsContact O-CA 3.24Å; Y982-F1110 WeakPolarHBondContact O-CA 3.35Å; I983-F1110 HydrophobicContact CG1-CB 4.46Å; F1023-F1110 HydrophobicContact CE2-CE1 4.09Å; F1023-F1110 HydrophobicContact CE2-CE2 4.19Å; F1023-F1110 AromaticContact CE2-CZ 3.92Å; F1023-F1110 HydrophobicContact CE2-CZ 3.92Å; F1023-F1110 HydrophobicContact CZ-CD1 4.22Å; F1023-F1110 HydrophobicContact CZ-CD2 4.29Å; F1023-F1110 HydrophobicContact CZ-CE1 4.25Å; F1023-F1110 HydrophobicContact CZ-CE2 4.3Å; F1023-F1110 HydrophobicContact CZ-CG 4.24Å; F1023-F1110 HydrophobicContact CZ-CZ 4.3Å; L1025-F1110 HydrophobicContact CD1-CE1 3.72Å; L1025-F1110 HydrophobicContact CD1-CZ 3.73Å; V1071-F1110 HydrophobicContact CG1-CE2 4.15Å; V1071-F1110 HydrophobicContact CG1-CZ 4.18Å; F1108-F1110 HydrophobicContact CD2-CB 4.25Å; F1108-F1110 HydrophobicContact CD2-CD1 4.42Å; F1108-F1110 HydrophobicContact CE2-CB 4.13Å; F1108-F1110 HydrophobicContact CE2-CD1 4.09Å; F1108-F1110 HydrophobicContact CE2-CG 4.44Å; F1110-G1124 WeakPolarHBondContact CD1-O 3.42Å; F1110-G1124 PolarHBondContact N-O 3.29Å; F1110-G1124 PolarHBondContact O-N 2.83Å
1111C95.2Very high91.4Very high1 Ų118.3 Ų18.31%0.0079%0.087CC..EExtended strand (participates in β ladder)trans-131.5138.4179.6-62.80000109.7Y982 F1008 V1113 P1120 F1122Y982-C1111 PolarHBondContact N-O 3.46Å; Y982-C1111 PolarHBondContact O-N 3.11Å; F1008-C1111 HydrophobicContact CE2-CB 4.33Å; F1008-C1111 HydrophobicContact CZ-CB 3.93Å; C1111-V1113 HydrophobicContact CB-CG2 3.56Å; C1111-P1120 HydrophobicContact CB-CB 4.49Å; C1111-F1122 VanDerWaalsContact CA-O 3.23Å; C1111-F1122 WeakPolarHBondContact CA-O 3.48Å
1112I92.9Very high91.4Very high0 Ų012.7 Ų12.70%07%0.065CC..EExtended strand (participates in β ladder)trans-98.3117.7165.3-65.8163.8000105.7F922 Y974 A980 L981 V1071 P1120 L1121 F1122F922-I1112 HydrophobicContact CD1-CD1 3.64Å; F922-I1112 HydrophobicContact CE1-CD1 4.03Å; F922-I1112 HydrophobicContact CE1-CG2 4.39Å; F922-I1112 HydrophobicContact CG-CD1 4.27Å; F922-I1112 HydrophobicContact CZ-CG2 4.33Å; Y974-I1112 HydrophobicContact CE2-CG1 4.47Å; Y974-I1112 HydrophobicContact CE2-CG2 4.17Å; A980-I1112 WeakPolarHBondContact O-CA 3.24Å; L981-I1112 HydrophobicContact CD1-CG1 3.96Å; V1071-I1112 HydrophobicContact CG2-CD1 4.18Å; I1112-P1120 CarbonylContact O-C 3.5Å; I1112-L1121 PolarHBondContact O-N 3.02Å; I1112-F1122 HydrophobicContact CB-CB 4.2Å; I1112-F1122 HydrophobicContact CB-CD2 3.93Å; I1112-F1122 HydrophobicContact CD1-CB 4.38Å; I1112-F1122 HydrophobicContact CD1-CD2 4Å; I1112-F1122 HydrophobicContact CD1-CG 4.32Å; I1112-F1122 HydrophobicContact CG2-CD2 4.22Å; I1112-F1122 PolarHBondContact N-O 3.38Å; I1112-F1122 VanDerWaalsContact N-O 3.1Å; I1112-F1122 PolarHBondContact O-N 3Å
1113V91.6Very high91.3Very high0 Ų012.8 Ų12.80%07%0.066CC..EExtended strand (participates in β ladder)trans-123.2135.6-161.9-1780000110.3L979 A980 Y982 F1008 C1111 Y1118 L1119L979-V1113 VanDerWaalsContact CA-O 3.3Å; L979-V1113 WeakPolarHBondContact CA-O 3.2Å; A980-V1113 PolarHBondContact N-O 2.62Å; A980-V1113 PolarHBondContact O-N 3.14Å; Y982-V1113 HydrophobicContact CD2-CB 3.63Å; Y982-V1113 HydrophobicContact CD2-CG1 4.29Å; Y982-V1113 HydrophobicContact CD2-CG2 3.53Å; Y982-V1113 HydrophobicContact CE2-CB 3.85Å; Y982-V1113 HydrophobicContact CE2-CG1 4.13Å; Y982-V1113 HydrophobicContact CE2-CG2 4.2Å; Y982-V1113 HydrophobicContact CG-CG2 4.16Å; F1008-V1113 HydrophobicContact CD2-CG1 4.08Å; F1008-V1113 HydrophobicContact CD2-CG2 3.97Å; F1008-V1113 HydrophobicContact CE2-CG2 3.72Å; F1008-V1113 HydrophobicContact CZ-CG2 4.25Å; C1111-V1113 HydrophobicContact CB-CG2 3.56Å; V1113-Y1118 VanDerWaalsContact CG1-C 3.49Å; V1113-L1119 WeakPolarHBondContact CA-O 3.37Å
1114E88.8Confident91Very high15 Ų1510.3 Ų10.37%0.075%0.051CC..EExtended strand (participates in β ladder)trans-76127.1169.3-162.3-69.3108.500109.7L829 L979 E1116 N1117 Y1118 L1119 L1121L829-E1114 HydrophobicContact CD1-CB 4.48Å; L829-E1114 HydrophobicContact CD1-CG 3.51Å; L829-E1114 HydrophobicContact CD2-CG 4.03Å; L829-E1114 HydrophobicContact CG-CG 4.44Å; L979-E1114 HydrophobicContact CD2-CB 4.2Å; L979-E1114 HydrophobicContact CD2-CG 4.38Å; E1114-E1116 WeakPolarHBondContact OE1-CB 3.16Å; E1114-E1116 PolarHBondContact OE1-N 2.96Å; E1114-E1116 PolarHBondContact OE2-N 2.68Å; E1114-N1117 VanDerWaalsContact OE2-CB 3.3Å; E1114-N1117 WeakPolarHBondContact OE2-CB 3.4Å; E1114-N1117 PolarHBondContact OE2-N 2.56Å; E1114-N1117 PolarHBondContact OE2-ND2 3.36Å; E1114-Y1118 CarbonylContact O-C 3.54Å; E1114-Y1118 WeakPolarHBondContact O-CA 3.39Å; E1114-Y1118 PolarHBondContact O-N 3.3Å; E1114-L1119 HydrophobicContact CB-CB 4.36Å; E1114-L1119 PolarHBondContact N-O 2.68Å; E1114-L1119 PolarHBondContact O-N 2.8Å; E1114-L1121 HydrophobicContact CB-CD1 3.69Å; E1114-L1121 HydrophobicContact CG-CD1 4.46Å
1115L85.4Confident90.9Very high43 Ų4310.5 Ų10.523%0.2255%0.052CC..THydrogen-bonded Turntrans-87.8-13.9-166.4-68.5174.7000115.5N977 E978 A980 Y982N977-L1115 WeakPolarHBondContact O-CD1 3.29Å; E978-L1115 PolarHBondContact O-N 3.43Å; A980-L1115 HydrophobicContact CB-CD1 4.14Å; A980-L1115 HydrophobicContact CB-CD2 3.99Å; A980-L1115 HydrophobicContact CB-CG 4.36Å; Y982-L1115 HydrophobicContact CE2-CD2 3.9Å
1116E80.5Confident90.8Very high51 Ų519.8 Ų9.824%0.2385%0.047CC..THydrogen-bonded Turntrans-79.8-32.1173.4-163.5-179.415200112.1L745 F746 C747 R748 T750 E1114L745-E1116 WeakPolarHBondContact O-CG 3.32Å; F746-E1116 WeakPolarHBondContact CD1-O 3.4Å; F746-E1116 WeakPolarHBondContact CE1-O 3.18Å; F746-E1116 WeakPolarHBondContact CG-O 3.49Å; C747-E1116 PolarHBondContact N-OE1 2.59Å; R748-E1116 WeakPolarHBondContact CB-OE1 3.47Å; R748-E1116 PolarHBondContact N-OE1 3.45Å; T750-E1116 HydrophobicContact CG2-CG 3.88Å; T750-E1116 VanDerWaalsContact CG2-OE1 3.28Å; T750-E1116 WeakPolarHBondContact CG2-OE1 3.5Å; E1114-E1116 WeakPolarHBondContact OE1-CB 3.16Å; E1114-E1116 PolarHBondContact OE1-N 2.96Å; E1114-E1116 PolarHBondContact OE2-N 2.68Å
1117N80.4Confident90.6Very high6 Ų612 Ų123%0.0326%0.055CC..THydrogen-bonded Turntrans-120.1-2.8-176.3-60.9-102.1000114T750 L756 F825 Q1005 E1114 L1119T750-N1117 WeakPolarHBondContact CA-OD1 3.12Å; T750-N1117 WeakPolarHBondContact CB-OD1 3.28Å; T750-N1117 WeakPolarHBondContact CG2-OD1 3.37Å; L756-N1117 HydrophobicContact CD1-CB 4.16Å; F825-N1117 WeakPolarHBondContact CE2-ND2 2.9Å; F825-N1117 HydrophobicContact CZ-CB 4.32Å; F825-N1117 WeakPolarHBondContact CZ-ND2 3.38Å; Q1005-N1117 PolarHBondContact NE2-O 3.32Å; Q1005-N1117 VanDerWaalsContact NE2-O 3.14Å; E1114-N1117 VanDerWaalsContact OE2-CB 3.3Å; E1114-N1117 WeakPolarHBondContact OE2-CB 3.4Å; E1114-N1117 PolarHBondContact OE2-N 2.56Å; E1114-N1117 PolarHBondContact OE2-ND2 3.36Å; N1117-L1119 HydrophobicContact CB-CB 4.46Å; N1117-L1119 HydrophobicContact CB-CD1 3.74Å; N1117-L1119 HydrophobicContact CB-CG 3.71Å; N1117-L1119 PolarHBondContact O-N 3.24Å
1118Y87.1Confident90.2Very high41 Ų4111.5 Ų11.516%0.1615%0.053CC..THydrogen-bonded Turntrans53.835-171.8-65-90000113.7F746 Q1005 F1008 Y1009 V1113 E1114F746-Y1118 HydrophobicContact CE1-CD2 4.03Å; F746-Y1118 HydrophobicContact CE1-CE2 4.36Å; F746-Y1118 HydrophobicContact CE2-CD2 4.33Å; F746-Y1118 AromaticContact CE2-CE2 3.83Å; F746-Y1118 HydrophobicContact CE2-CE2 3.83Å; F746-Y1118 AromaticContact CZ-CD2 3.48Å; F746-Y1118 HydrophobicContact CZ-CD2 3.48Å; F746-Y1118 VanDerWaalsContact CZ-CD2 3.48Å; F746-Y1118 AromaticContact CZ-CE2 3.41Å; F746-Y1118 HydrophobicContact CZ-CE2 3.41Å; F746-Y1118 VanDerWaalsContact CZ-CE2 3.41Å; Q1005-Y1118 PolarHBondContact NE2-O 2.69Å; F1008-Y1118 HydrophobicContact CB-CD1 3.53Å; F1008-Y1118 HydrophobicContact CB-CE1 4.15Å; F1008-Y1118 HydrophobicContact CB-CG 4.42Å; F1008-Y1118 WeakPolarHBondContact O-CE1 3.4Å; Y1009-Y1118 HydrophobicContact CD2-CD2 4.38Å; Y1009-Y1118 AromaticContact CD2-CE2 3.83Å; Y1009-Y1118 HydrophobicContact CD2-CE2 3.83Å; V1113-Y1118 VanDerWaalsContact CG1-C 3.49Å; E1114-Y1118 CarbonylContact O-C 3.54Å; E1114-Y1118 WeakPolarHBondContact O-CA 3.39Å; E1114-Y1118 PolarHBondContact O-N 3.3Å
1119L86.9Confident89.5Confident0 Ų014.4 Ų14.40%07%0.071CC..EExtended strand (participates in β ladder)trans-88.6125.7-176.8-73.1173.4000112.2L756 V760 M763 F825 V1113 E1114 N1117 L1121L756-L1119 HydrophobicContact CD1-CD1 4.22Å; L756-L1119 HydrophobicContact CD1-CD2 4.3Å; L756-L1119 HydrophobicContact CD1-CG 4.41Å; L756-L1119 HydrophobicContact CD2-CD1 4.37Å; V760-L1119 HydrophobicContact CG2-CD2 3.48Å; V760-L1119 VanDerWaalsContact CG2-CD2 3.48Å; M763-L1119 HydrophobicContact CE-CD2 3.99Å; F825-L1119 HydrophobicContact CE1-CD1 3.39Å; F825-L1119 HydrophobicContact CZ-CD1 3.62Å; V1113-L1119 WeakPolarHBondContact CA-O 3.37Å; E1114-L1119 HydrophobicContact CB-CB 4.36Å; E1114-L1119 PolarHBondContact N-O 2.68Å; E1114-L1119 PolarHBondContact O-N 2.8Å; N1117-L1119 HydrophobicContact CB-CB 4.46Å; N1117-L1119 HydrophobicContact CB-CD1 3.74Å; N1117-L1119 HydrophobicContact CB-CG 3.71Å; N1117-L1119 PolarHBondContact O-N 3.24Å; L1119-L1121 PolarHBondContact O-N 2.65Å; L1119-L1121 VanDerWaalsContact O-N 3.11Å
1120P89.8Confident88Confident4 Ų419.3 Ų19.33%0.02611%0.105CC..EExtended strand (participates in β ladder)trans-71.9103175.4-18.732.8000112.5F1008 C1111 I1112 F1122 I1123F1008-P1120 HydrophobicContact CE2-CG 4.3Å; C1111-P1120 HydrophobicContact CB-CB 4.49Å; I1112-P1120 CarbonylContact O-C 3.5Å; P1120-F1122 PolarHBondContact O-N 3.36Å; P1120-I1123 HydrophobicContact CB-CD1 3.91Å; P1120-I1123 HydrophobicContact CB-CG1 3.59Å; P1120-I1123 HydrophobicContact CG-CD1 4.26Å; P1120-I1123 HydrophobicContact CG-CG1 4.39Å
1121L89.2Confident85.8Confident3 Ų325.6 Ų25.62%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-59.6-37.8166.1-85.762.3000110.5S782 L784 L829 L842 L979 I1112 E1114 L1119S782-L1121 VanDerWaalsContact CA-O 3.29Å; S782-L1121 WeakPolarHBondContact CA-O 3.35Å; S782-L1121 VanDerWaalsContact CB-O 3.26Å; S782-L1121 WeakPolarHBondContact CB-O 3.48Å; S782-L1121 PolarHBondContact OG-O 2.89Å; L784-L1121 HydrophobicContact CD2-CD1 3.85Å; L784-L1121 HydrophobicContact CD2-CG 3.87Å; L829-L1121 HydrophobicContact CD2-CD1 4.36Å; L842-L1121 HydrophobicContact CD1-CD2 4.36Å; L842-L1121 HydrophobicContact CD2-CD2 3.69Å; L979-L1121 HydrophobicContact CD1-CD2 4.13Å; L979-L1121 HydrophobicContact CD2-CD1 4.28Å; L979-L1121 HydrophobicContact CD2-CD2 3.86Å; I1112-L1121 PolarHBondContact O-N 3.02Å; E1114-L1121 HydrophobicContact CB-CD1 3.69Å; E1114-L1121 HydrophobicContact CG-CD1 4.46Å; L1119-L1121 PolarHBondContact O-N 2.65Å; L1119-L1121 VanDerWaalsContact O-N 3.11Å
1122F92Very high82.8Confident0 Ų038.3 Ų38.30%020%0.203CC..EExtended strand (participates in β ladder)trans-138.2148177.6-59.1-102.2000111.1F780 L781 L842 V920 F922 A1069 C1111 I1112 P1120F780-F1122 AromaticContact CE1-CD1 3.8Å; F780-F1122 HydrophobicContact CE1-CD1 3.8Å; F780-F1122 HydrophobicContact CE1-CE1 4.19Å; F780-F1122 HydrophobicContact CE2-CB 3.64Å; F780-F1122 AromaticContact CE2-CD1 3.91Å; F780-F1122 HydrophobicContact CE2-CD1 3.91Å; F780-F1122 HydrophobicContact CE2-CG 4.13Å; F780-F1122 HydrophobicContact CZ-CB 3.82Å; F780-F1122 AromaticContact CZ-CD1 3.22Å; F780-F1122 HydrophobicContact CZ-CD1 3.22Å; F780-F1122 AromaticContact CZ-CE1 3.93Å; F780-F1122 HydrophobicContact CZ-CE1 3.93Å; F780-F1122 AromaticContact CZ-CG 3.77Å; F780-F1122 HydrophobicContact CZ-CG 3.77Å; L781-F1122 WeakPolarHBondContact O-CA 3.36Å; L842-F1122 HydrophobicContact CD1-CE2 3.74Å; L842-F1122 HydrophobicContact CD1-CZ 3.92Å; V920-F1122 HydrophobicContact CG1-CE1 3.94Å; V920-F1122 HydrophobicContact CG1-CZ 4.42Å; V920-F1122 HydrophobicContact CG2-CE1 4.15Å; V920-F1122 HydrophobicContact CG2-CZ 3.78Å; F922-F1122 HydrophobicContact CB-CE1 4.49Å; F922-F1122 HydrophobicContact CB-CE2 3.6Å; F922-F1122 HydrophobicContact CB-CZ 3.54Å; F922-F1122 HydrophobicContact CD2-CE2 4.44Å; F922-F1122 HydrophobicContact CG-CE2 4.14Å; A1069-F1122 HydrophobicContact CB-CE1 4.46Å; C1111-F1122 VanDerWaalsContact CA-O 3.23Å; C1111-F1122 WeakPolarHBondContact CA-O 3.48Å; I1112-F1122 HydrophobicContact CB-CB 4.2Å; I1112-F1122 HydrophobicContact CB-CD2 3.93Å; I1112-F1122 HydrophobicContact CD1-CB 4.38Å; I1112-F1122 HydrophobicContact CD1-CD2 4Å; I1112-F1122 HydrophobicContact CD1-CG 4.32Å; I1112-F1122 HydrophobicContact CG2-CD2 4.22Å; I1112-F1122 PolarHBondContact N-O 3.38Å; I1112-F1122 VanDerWaalsContact N-O 3.1Å; I1112-F1122 PolarHBondContact O-N 3Å; P1120-F1122 PolarHBondContact O-N 3.36Å
1123I94.3Very high82.3Confident3 Ų340.2 Ų40.22%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-134.1136.7171.9-52.2179.6000108.2W764 Y767 L781 P783 P1120W764-I1123 HydrophobicContact CE3-CD1 4.47Å; W764-I1123 HydrophobicContact CZ3-CG2 4.39Å; Y767-I1123 HydrophobicContact CD1-CG2 4.08Å; Y767-I1123 HydrophobicContact CD2-CB 4Å; Y767-I1123 HydrophobicContact CD2-CG2 3.47Å; Y767-I1123 VanDerWaalsContact CD2-CG2 3.47Å; Y767-I1123 HydrophobicContact CE2-CG2 3.97Å; Y767-I1123 HydrophobicContact CG-CB 4.24Å; Y767-I1123 HydrophobicContact CG-CG2 3.56Å; L781-I1123 PolarHBondContact N-O 2.91Å; L781-I1123 VanDerWaalsContact N-O 3.08Å; L781-I1123 PolarHBondContact O-N 3.23Å; P783-I1123 HydrophobicContact CG-CD1 3.92Å; P783-I1123 HydrophobicContact CG-CG1 3.96Å; P1120-I1123 HydrophobicContact CB-CD1 3.91Å; P1120-I1123 HydrophobicContact CB-CG1 3.59Å; P1120-I1123 HydrophobicContact CG-CD1 4.26Å; P1120-I1123 HydrophobicContact CG-CG1 4.39Å
1124G92.1Very high81.8Confident0 Ų042.3 Ų42.30%023%0.225CC..EExtended strand (participates in β ladder)trans-152.1160.8171.800000114.4V779 L1109 F1110V779-G1124 CarbonylContact O-C 3.57Å; V779-G1124 WeakPolarHBondContact O-CA 3.47Å; L1109-G1124 CarbonylContact C-O 3.49Å; L1109-G1124 WeakPolarHBondContact CA-O 3.48Å; F1110-G1124 WeakPolarHBondContact CD1-O 3.42Å; F1110-G1124 PolarHBondContact N-O 3.29Å; F1110-G1124 PolarHBondContact O-N 2.83Å
1125R92.6Very high81.4Confident4 Ų443.8 Ų43.82%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-100.9129.1160.7160.717169.5-1346.9108.3Y767 S771 S774 S777 S778 V779 M992 E996 S1107 F1108 L1109Y767-R1125 WeakPolarHBondContact OH-CB 3.35Å; S771-R1125 PolarHBondContact O-NH2 3.36Å; S774-R1125 PolarHBondContact O-NH2 3.4Å; S777-R1125 PolarHBondContact O-NE 2.97Å; S778-R1125 CarbonylContact C-O 3.08Å; S778-R1125 WeakPolarHBondContact CA-O 3.5Å; S778-R1125 WeakPolarHBondContact CB-O 3.29Å; V779-R1125 PolarHBondContact N-O 2.86Å; V779-R1125 PolarHBondContact O-N 3.31Å; M992-R1125 HydrophobicContact CE-CB 4.14Å; M992-R1125 HydrophobicContact CE-CG 4.02Å; E996-R1125 IonicContact OE1-CZ 2.75Å; E996-R1125 IonicContact OE1-NH1 3.25Å; E996-R1125 PolarHBondContact OE1-NH1 2.97Å; E996-R1125 IonicContact OE2-NH1 2.94Å; E996-R1125 PolarHBondContact OE2-NH1 3.01Å; S1107-R1125 WeakPolarHBondContact OG-CD 3.42Å; S1107-R1125 WeakPolarHBondContact OG-CG 3.27Å; F1108-R1125 WeakPolarHBondContact O-CA 3.4Å; L1109-R1125 HydrophobicContact CD2-CB 4.49Å
1126Y92.9Very high81.2Confident7 Ų743.9 Ų43.93%0.02723%0.234CC..EExtended strand (participates in β ladder)trans-90.9120.7157.9-172.5-112.7000108.1F940 I950 P1021 F1023 L1025 S1107 F1108 G1128F940-Y1126 HydrophobicContact CD2-CE1 4.04Å; F940-Y1126 HydrophobicContact CE1-CE1 4.3Å; F940-Y1126 AromaticContact CE2-CD1 3.61Å; F940-Y1126 HydrophobicContact CE2-CD1 3.61Å; F940-Y1126 AromaticContact CE2-CE1 3.51Å; F940-Y1126 HydrophobicContact CE2-CE1 3.51Å; F940-Y1126 AromaticContact CZ-CD1 3.56Å; F940-Y1126 HydrophobicContact CZ-CD1 3.56Å; F940-Y1126 AromaticContact CZ-CE1 3.64Å; F940-Y1126 HydrophobicContact CZ-CE1 3.64Å; I950-Y1126 HydrophobicContact CD1-CE1 4.34Å; P1021-Y1126 HydrophobicContact CB-CE1 4.12Å; P1021-Y1126 HydrophobicContact CG-CD1 4.04Å; P1021-Y1126 HydrophobicContact CG-CE1 3.73Å; F1023-Y1126 HydrophobicContact CB-CD2 4.04Å; F1023-Y1126 HydrophobicContact CB-CE2 3.43Å; F1023-Y1126 VanDerWaalsContact CB-CE2 3.43Å; F1023-Y1126 HydrophobicContact CD1-CD2 4.39Å; F1023-Y1126 HydrophobicContact CD1-CE2 4.47Å; F1023-Y1126 HydrophobicContact CD2-CD2 4.02Å; F1023-Y1126 HydrophobicContact CD2-CE2 4.26Å; F1023-Y1126 AromaticContact CG-CD2 3.91Å; F1023-Y1126 HydrophobicContact CG-CD2 3.91Å; F1023-Y1126 AromaticContact CG-CE2 3.84Å; F1023-Y1126 HydrophobicContact CG-CE2 3.84Å; L1025-Y1126 HydrophobicContact CD1-CD2 4.24Å; S1107-Y1126 WeakPolarHBondContact CA-O 3.35Å; S1107-Y1126 WeakPolarHBondContact CB-O 3.37Å; S1107-Y1126 PolarHBondContact OG-O 3.43Å; F1108-Y1126 HydrophobicContact CD1-CD1 4.41Å; F1108-Y1126 AromaticContact CE1-CD1 3.6Å; F1108-Y1126 HydrophobicContact CE1-CD1 3.6Å; F1108-Y1126 HydrophobicContact CE1-CE1 4.49Å; F1108-Y1126 HydrophobicContact CE1-CG 4.24Å; F1108-Y1126 VanDerWaalsContact CE2-CB 3.48Å; F1108-Y1126 HydrophobicContact CE2-CD1 4.43Å; F1108-Y1126 HydrophobicContact CE2-CG 4.27Å; F1108-Y1126 AromaticContact CZ-CD1 3.61Å; F1108-Y1126 HydrophobicContact CZ-CD1 3.61Å; F1108-Y1126 AromaticContact CZ-CG 3.83Å; F1108-Y1126 HydrophobicContact CZ-CG 3.83Å; F1108-Y1126 PolarHBondContact N-O 2.96Å; F1108-Y1126 PolarHBondContact O-N 2.77Å; Y1126-G1128 VanDerWaalsContact CE2-O 3.24Å; Y1126-G1128 WeakPolarHBondContact CE2-O 3.23Å; Y1126-G1128 VanDerWaalsContact CZ-CA 3.49Å
1127Y90.7Very high81.2Confident60 Ų6043.4 Ų43.424%0.23523%0.234CC..  trans-102.2-6.1174-166.7-93000112.2T776 S778 F940 L942T776-Y1127 WeakPolarHBondContact O-CD1 3.31Å; T776-Y1127 WeakPolarHBondContact O-CE1 3.18Å; S778-Y1127 PolarHBondContact OG-N 3.18Å; F940-Y1127 WeakPolarHBondContact CE1-O 3.25Å; L942-Y1127 WeakPolarHBondContact CD2-O 3.25Å; L942-Y1127 PolarHBondContact O-OH 2.97Å
1128G87.4Confident81.3Confident3 Ų345.9 Ų45.93%0.03125%0.247CC..SBendtrans126.4-179.2-170.100000111.6S778 Y1126S778-G1128 PolarHBondContact OG-O 3.3Å; Y1126-G1128 VanDerWaalsContact CE2-O 3.24Å; Y1126-G1128 WeakPolarHBondContact CE2-O 3.23Å; Y1126-G1128 VanDerWaalsContact CZ-CA 3.49Å
1129P79.8Confident80.9Confident60 Ų6046.3 Ų46.339%0.3925%0.253SS..SBendtrans-63.8140.7170.828.9-34.7000110.3V948 I950 T1131V948-P1129 HydrophobicContact CG2-CG 3.88Å; I950-P1129 HydrophobicContact CG2-CG 4Å; P1129-T1131 PolarHBondContact O-N 2.7Å
1130S64.3Low80.4Confident103 Ų10349.8 Ų49.872%0.7227%0.273SS*.PPolyproline II helixtrans-68.4117171.149.30000110.1
1131T47.9Very low79.6Confident133 Ų13353.7 Ų53.782%0.81629%0.293SS*.PPolyproline II helixtrans-63.2132.2147.951.60000107.8P1129P1129-T1131 PolarHBondContact O-N 2.7Å
1132E32.6Very low78.8Confident268 Ų26858.3 Ų58.3100%1.25232%0.318SS*.  trans-50.40-173.7-58.8177.4130.600114.5

Retrieved 1,132 of 1,132 residues in 1838.2 ms (Link to these results)

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