A0A087YKC3_POEFO Loading...

Calcium voltage-gated channel auxiliary subunit alpha2delta 1

AlphaFold DB , UniProt , Accession A0A087YKC3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,072 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
1F33.9Very low70.8Confident235 Ų23573.1 Ų73.1100%1.03136%0.362SS*.  0-53.90-92.6-86.4000113.8S4 H5F1-S4 VanDerWaalsContact O-CB 3.29Å; F1-S4 WeakPolarHBondContact O-CB 3.28Å; F1-S4 PolarHBondContact O-N 3.06Å; F1-H5 PolarHBondContact O-N 3.03Å
2A45.4Very low72.2Confident72 Ų7272.8 Ų72.860%0.59536%0.363SS*.Hα-helixtrans-65.3-39.7179.600000114.4S4 R6A2-S4 VanDerWaalsContact C-N 3.28Å; A2-S4 PolarHBondContact O-N 3.43Å; A2-R6 PolarHBondContact O-N 3.41Å
3L63Low73.2Confident74 Ų7474.5 Ų74.539%0.38737%0.369SS..Hα-helixtrans-65.6-31.4175.8-151.188.7000112.6R6 I7 I809L3-R6 PolarHBondContact O-N 2.82Å; L3-I7 HydrophobicContact CD2-CD1 4.05Å; L3-I7 HydrophobicContact CG-CD1 4.19Å; L3-I7 WeakPolarHBondContact O-CD1 3.19Å; L3-I7 WeakPolarHBondContact O-CG1 3.44Å; L3-I7 PolarHBondContact O-N 3.04Å; L3-I809 HydrophobicContact CD1-CB 4.36Å; L3-I809 HydrophobicContact CD1-CD1 4.01Å; L3-I809 HydrophobicContact CD2-CD1 4.15Å
4S65.8Low73.9Confident39 Ų3969.8 Ų69.827%0.27335%0.346SS..Hα-helixtrans-63.1-46.6179.5175.70000112.3F1 A2 R6 K8 R975F1-S4 VanDerWaalsContact O-CB 3.29Å; F1-S4 WeakPolarHBondContact O-CB 3.28Å; F1-S4 PolarHBondContact O-N 3.06Å; A2-S4 VanDerWaalsContact C-N 3.28Å; A2-S4 PolarHBondContact O-N 3.43Å; S4-R6 VanDerWaalsContact C-N 3.31Å; S4-K8 PolarHBondContact O-N 3.24Å; S4-R975 PolarHBondContact O-NH2 3.46Å; S4-R975 PolarHBondContact OG-NH1 3.31Å; S4-R975 PolarHBondContact OG-NH2 2.88Å
5H73.3Confident74.7Confident119 Ų11966.9 Ų66.955%0.55133%0.331SS*.Hα-helixtrans-68.2-37.2179.5-165.1-85.4000110.8F1 K8 E9F1-H5 PolarHBondContact O-N 3.03Å; H5-K8 PolarHBondContact O-N 2.82Å; H5-E9 IonicContact CE1-OE1 2.91Å; H5-E9 PolarHBondContact CE1-OE1 3.01Å; H5-E9 IonicContact ND1-OE1 3.97Å; H5-E9 PolarHBondContact ND1-OE1 3.08Å; H5-E9 WeakPolarHBondContact O-CG 3.36Å; H5-E9 PolarHBondContact O-N 3.32Å
6R78.5Confident75.5Confident41 Ų4171.5 Ų71.516%0.15535%0.349CS..Hα-helixtrans-64.9-44.9-179.2-169.8177.8-64.5175.53112.9A2 L3 S4 K8 E9 W10 E808A2-R6 PolarHBondContact O-N 3.41Å; L3-R6 PolarHBondContact O-N 2.82Å; S4-R6 VanDerWaalsContact C-N 3.31Å; R6-K8 VanDerWaalsContact C-N 3.28Å; R6-K8 PolarHBondContact O-N 2.83Å; R6-E9 PolarHBondContact O-N 3.08Å; R6-W10 HydrophobicContact CG-CD2 4.32Å; R6-W10 HydrophobicContact CG-CH2 4.4Å; R6-W10 HydrophobicContact CG-CZ2 3.77Å; R6-W10 PolarHBondContact O-N 2.95Å; R6-E808 IonicContact CZ-OE2 3.32Å; R6-E808 VanDerWaalsContact CZ-OE2 3.24Å; R6-E808 IonicContact NH1-OE2 3.72Å; R6-E808 PolarHBondContact NH1-OE2 3.37Å; R6-E808 IonicContact NH2-OE2 2.92Å; R6-E808 PolarHBondContact NH2-OE2 3.29Å
7I80.4Confident76.1Confident1 Ų171.6 Ų71.61%0.00535%0.348CS..Hα-helixtrans-62.6-40.2178.3-70.3159.5000110.6L3 W10 V11 R975 E977 F986 I988L3-I7 HydrophobicContact CD2-CD1 4.05Å; L3-I7 HydrophobicContact CG-CD1 4.19Å; L3-I7 WeakPolarHBondContact O-CD1 3.19Å; L3-I7 WeakPolarHBondContact O-CG1 3.44Å; L3-I7 PolarHBondContact O-N 3.04Å; I7-W10 PolarHBondContact O-N 3.35Å; I7-V11 HydrophobicContact CG2-CG2 4.45Å; I7-V11 VanDerWaalsContact O-CG2 3.29Å; I7-V11 WeakPolarHBondContact O-CG2 3.43Å; I7-V11 PolarHBondContact O-N 3.11Å; I7-R975 HydrophobicContact CD1-CB 4.47Å; I7-R975 HydrophobicContact CD1-CG 4.26Å; I7-E977 HydrophobicContact CG2-CB 4.22Å; I7-F986 HydrophobicContact CG2-CD1 4.02Å; I7-F986 HydrophobicContact CG2-CE1 4.02Å; I7-I988 HydrophobicContact CD1-CG2 3.62Å; I7-I988 HydrophobicContact CG1-CG2 4.33Å
8K84.1Confident76.7Confident90 Ų9068.3 Ų68.339%0.39133%0.332SS..Hα-helixtrans-62.4-45.2176.2-171.9174.1-179.41760112.4S4 H5 R6 W10 V11 D12S4-K8 PolarHBondContact O-N 3.24Å; H5-K8 PolarHBondContact O-N 2.82Å; R6-K8 VanDerWaalsContact C-N 3.28Å; R6-K8 PolarHBondContact O-N 2.83Å; K8-W10 VanDerWaalsContact C-N 3.34Å; K8-W10 PolarHBondContact O-N 2.69Å; K8-V11 PolarHBondContact O-N 3.38Å; K8-D12 PolarHBondContact O-N 3.44Å
9E84.1Confident77.2Confident103 Ų10365.7 Ų65.748%0.48132%0.321SS..Hα-helixtrans-60.2-42.5175.3-74.1173.6171.900112.4H5 R6 D12 Q13H5-E9 IonicContact CE1-OE1 2.91Å; H5-E9 PolarHBondContact CE1-OE1 3.01Å; H5-E9 IonicContact ND1-OE1 3.97Å; H5-E9 PolarHBondContact ND1-OE1 3.08Å; H5-E9 WeakPolarHBondContact O-CG 3.36Å; H5-E9 PolarHBondContact O-N 3.32Å; R6-E9 PolarHBondContact O-N 3.08Å; E9-D12 PolarHBondContact O-N 2.94Å; E9-Q13 WeakPolarHBondContact O-CB 3.35Å; E9-Q13 PolarHBondContact O-N 3.47Å
10W84.8Confident77.8Confident28 Ų2865.9 Ų65.911%0.10633%0.326CS..Hα-helixtrans-60.7-47175.1-66.3-14.5000111.1R6 I7 K8 D12 Q13 M14 T800R6-W10 HydrophobicContact CG-CD2 4.32Å; R6-W10 HydrophobicContact CG-CH2 4.4Å; R6-W10 HydrophobicContact CG-CZ2 3.77Å; R6-W10 PolarHBondContact O-N 2.95Å; I7-W10 PolarHBondContact O-N 3.35Å; K8-W10 VanDerWaalsContact C-N 3.34Å; K8-W10 PolarHBondContact O-N 2.69Å; W10-D12 PolarHBondContact O-N 3.38Å; W10-Q13 PolarHBondContact O-N 2.83Å; W10-M14 HydrophobicContact CB-CE 4.2Å; W10-M14 WeakPolarHBondContact O-CB 3.48Å; W10-M14 WeakPolarHBondContact O-CE 3.46Å; W10-M14 WeakPolarHBondContact O-CG 3.34Å; W10-M14 PolarHBondContact O-N 2.99Å; W10-T800 HydrophobicContact CD2-CG2 4.48Å; W10-T800 HydrophobicContact CE3-CG2 4.32Å; W10-T800 WeakPolarHBondContact CZ2-O 3.36Å
11V85.8Confident78.3Confident2 Ų264.8 Ų64.81%0.01232%0.322CS..Hα-helixtrans-61.7-45.3-179.9168.50000111.7I7 K8 Q13 M14 Q15 E977 L979 F986I7-V11 HydrophobicContact CG2-CG2 4.45Å; I7-V11 VanDerWaalsContact O-CG2 3.29Å; I7-V11 WeakPolarHBondContact O-CG2 3.43Å; I7-V11 PolarHBondContact O-N 3.11Å; K8-V11 PolarHBondContact O-N 3.38Å; V11-Q13 VanDerWaalsContact C-N 3.33Å; V11-Q13 PolarHBondContact O-N 2.86Å; V11-M14 HydrophobicContact CB-CE 4.38Å; V11-M14 HydrophobicContact CG2-CE 3.84Å; V11-M14 PolarHBondContact O-N 3.48Å; V11-Q15 WeakPolarHBondContact O-CB 3.36Å; V11-Q15 PolarHBondContact O-N 3.12Å; V11-E977 HydrophobicContact CB-CG 4.29Å; V11-E977 HydrophobicContact CG1-CG 4.18Å; V11-E977 HydrophobicContact CG2-CB 4.08Å; V11-E977 HydrophobicContact CG2-CG 4.1Å; V11-L979 HydrophobicContact CG1-CD1 3.94Å; V11-L979 HydrophobicContact CG1-CG 3.9Å; V11-F986 HydrophobicContact CG2-CB 3.81Å; V11-F986 HydrophobicContact CG2-CD1 3.53Å; V11-F986 HydrophobicContact CG2-CG 3.99Å
12D86.9Confident80.8Confident70 Ų7053.8 Ų53.837%0.37427%0.274SS..Hα-helixtrans-63.2-38.5177.5-71.6-26.1000111.7K8 E9 W10 K16K8-D12 PolarHBondContact O-N 3.44Å; E9-D12 PolarHBondContact O-N 2.94Å; W10-D12 PolarHBondContact O-N 3.38Å; D12-K16 WeakPolarHBondContact O-CB 3.44Å; D12-K16 PolarHBondContact O-N 3.22Å
13Q85.4Confident82.9Confident94 Ų9453.1 Ų53.144%0.43926%0.26SS..Hα-helixtrans-67.3-48.4175.2-177.5176.6-14.400111.8E9 W10 V11 Q15 K16 E17E9-Q13 WeakPolarHBondContact O-CB 3.35Å; E9-Q13 PolarHBondContact O-N 3.47Å; W10-Q13 PolarHBondContact O-N 2.83Å; V11-Q13 VanDerWaalsContact C-N 3.33Å; V11-Q13 PolarHBondContact O-N 2.86Å; Q13-Q15 VanDerWaalsContact C-N 3.34Å; Q13-Q15 PolarHBondContact O-N 2.69Å; Q13-K16 PolarHBondContact O-N 3.15Å; Q13-E17 PolarHBondContact NE2-OE1 3.42Å; Q13-E17 PolarHBondContact O-N 3.28Å
14M83.3Confident84.1Confident9 Ų953.2 Ų53.24%0.04426%0.264CS..Hα-helixtrans-62.4-42.8-178.8-70.7-179.3-55.200111.8W10 V11 K16 E17 L18 F796 A799 T800 F986W10-M14 HydrophobicContact CB-CE 4.2Å; W10-M14 WeakPolarHBondContact O-CB 3.48Å; W10-M14 WeakPolarHBondContact O-CE 3.46Å; W10-M14 WeakPolarHBondContact O-CG 3.34Å; W10-M14 PolarHBondContact O-N 2.99Å; V11-M14 HydrophobicContact CB-CE 4.38Å; V11-M14 HydrophobicContact CG2-CE 3.84Å; V11-M14 PolarHBondContact O-N 3.48Å; M14-K16 VanDerWaalsContact C-N 3.33Å; M14-K16 PolarHBondContact O-N 3.43Å; M14-E17 PolarHBondContact O-N 2.71Å; M14-L18 WeakPolarHBondContact O-CB 3.39Å; M14-L18 WeakPolarHBondContact O-CG 3.49Å; M14-L18 PolarHBondContact O-N 2.74Å; M14-F796 HydrophobicContact CE-CE2 3.9Å; M14-F796 HydrophobicContact CG-CD2 4.46Å; M14-F796 HydrophobicContact SD-CD2 3.26Å; M14-F796 WeakPolarHBondContact SD-CD2 3.36Å; M14-F796 HydrophobicContact SD-CE2 3.11Å; M14-F796 WeakPolarHBondContact SD-CE2 3.49Å; M14-F796 HydrophobicContact SD-CG 4.4Å; M14-F796 HydrophobicContact SD-CZ 4.14Å; M14-A799 HydrophobicContact CG-CB 4.13Å; M14-T800 HydrophobicContact SD-CG2 3.86Å; M14-F986 HydrophobicContact CE-CD1 4.29Å; M14-F986 HydrophobicContact CE-CD2 4.45Å; M14-F986 HydrophobicContact CE-CG 4.21Å
15Q85.6Confident85.1Confident26 Ų2651.4 Ų51.412%0.12125%0.251CS..Hα-helixtrans-59-46175.5174.9-90.1-22.800111.3V11 Q13 L18 V19 L979 P980V11-Q15 WeakPolarHBondContact O-CB 3.36Å; V11-Q15 PolarHBondContact O-N 3.12Å; Q13-Q15 VanDerWaalsContact C-N 3.34Å; Q13-Q15 PolarHBondContact O-N 2.69Å; Q15-L18 PolarHBondContact O-N 3.16Å; Q15-V19 HydrophobicContact CG-CG2 4.42Å; Q15-V19 WeakPolarHBondContact O-CB 3.29Å; Q15-V19 VanDerWaalsContact O-CG2 3.31Å; Q15-V19 WeakPolarHBondContact O-CG2 3.47Å; Q15-V19 PolarHBondContact O-N 3.29Å; Q15-L979 HydrophobicContact CB-CB 4.41Å; Q15-L979 HydrophobicContact CB-CD2 4.37Å; Q15-L979 HydrophobicContact CB-CG 4.34Å; Q15-P980 HydrophobicContact CB-CG 4.44Å; Q15-P980 HydrophobicContact CG-CG 3.78Å; Q15-P980 WeakPolarHBondContact CG-O 3.34Å; Q15-P980 PolarHBondContact NE2-O 3.17Å; Q15-P980 VanDerWaalsContact NE2-O 3.15Å
16K87.8Confident85.8Confident141 Ų14145.8 Ų45.861%0.61323%0.226SC*.Hα-helixtrans-63-45179.1-169.6178-178.3-178.70111.5D12 Q13 M14 T20D12-K16 WeakPolarHBondContact O-CB 3.44Å; D12-K16 PolarHBondContact O-N 3.22Å; Q13-K16 PolarHBondContact O-N 3.15Å; M14-K16 VanDerWaalsContact C-N 3.33Å; M14-K16 PolarHBondContact O-N 3.43Å; K16-T20 HydrophobicContact CG-CG2 4.42Å; K16-T20 WeakPolarHBondContact O-CB 2.9Å; K16-T20 WeakPolarHBondContact O-CG2 3.21Å; K16-T20 PolarHBondContact O-N 3.3Å; K16-T20 PolarHBondContact O-OG1 3.11Å
17E85.9Confident86.3Confident73 Ų7344.1 Ų44.134%0.34122%0.221SC..Hα-helixtrans-61.1-46.2176.5-72.3175.6-165.400111.7Q13 M14 T20 L21Q13-E17 PolarHBondContact NE2-OE1 3.42Å; Q13-E17 PolarHBondContact O-N 3.28Å; M14-E17 PolarHBondContact O-N 2.71Å; E17-T20 WeakPolarHBondContact CA-OG1 3.19Å; E17-T20 PolarHBondContact O-N 3.27Å; E17-T20 PolarHBondContact O-OG1 2.74Å; E17-L21 WeakPolarHBondContact O-CB 3.43Å; E17-L21 PolarHBondContact O-N 3.15Å
18L85.8Confident86.6Confident12 Ų1244.6 Ų44.66%0.06323%0.225CC..Hα-helixtrans-62.9-49.2179-83.8169.6000113.2M14 Q15 L21 A22 F747 L787 W792 L979 L984M14-L18 WeakPolarHBondContact O-CB 3.39Å; M14-L18 WeakPolarHBondContact O-CG 3.49Å; M14-L18 PolarHBondContact O-N 2.74Å; Q15-L18 PolarHBondContact O-N 3.16Å; L18-L21 PolarHBondContact O-N 3.5Å; L18-A22 WeakPolarHBondContact O-CB 3.32Å; L18-A22 PolarHBondContact O-N 3.19Å; L18-F747 HydrophobicContact CD2-CE1 4.5Å; L18-L787 HydrophobicContact CD2-CD1 4.49Å; L18-W792 HydrophobicContact CD1-CZ2 3.82Å; L18-W792 HydrophobicContact CD2-CZ2 4.12Å; L18-L979 HydrophobicContact CD1-CD2 4.16Å; L18-L984 HydrophobicContact CD1-CD1 4.48Å
19V87.4Confident86.9Confident19 Ų1947.3 Ų47.312%0.11524%0.239CC..Hα-helixtrans-65.3-42.1-179.4170.50000110.3Q15 L21 A22 D23 Y745 T982Q15-V19 HydrophobicContact CG-CG2 4.42Å; Q15-V19 WeakPolarHBondContact O-CB 3.29Å; Q15-V19 VanDerWaalsContact O-CG2 3.31Å; Q15-V19 WeakPolarHBondContact O-CG2 3.47Å; Q15-V19 PolarHBondContact O-N 3.29Å; V19-L21 PolarHBondContact O-N 3.19Å; V19-A22 PolarHBondContact O-N 3.08Å; V19-D23 WeakPolarHBondContact CG1-OD2 3.33Å; V19-D23 WeakPolarHBondContact O-CB 3.39Å; V19-D23 PolarHBondContact O-N 3.12Å; V19-Y745 HydrophobicContact CG1-CD2 4.15Å; V19-Y745 HydrophobicContact CG1-CE2 3.84Å; V19-Y745 HydrophobicContact CG2-CD2 4.19Å; V19-T982 HydrophobicContact CG2-CG2 4.02Å
20T88.8Confident87.2Confident69 Ų6943.9 Ų43.942%0.42323%0.227SC..Hα-helixtrans-65.1-38.3176.856.10000112.8K16 E17 T24K16-T20 HydrophobicContact CG-CG2 4.42Å; K16-T20 WeakPolarHBondContact O-CB 2.9Å; K16-T20 WeakPolarHBondContact O-CG2 3.21Å; K16-T20 PolarHBondContact O-N 3.3Å; K16-T20 PolarHBondContact O-OG1 3.11Å; E17-T20 WeakPolarHBondContact CA-OG1 3.19Å; E17-T20 PolarHBondContact O-N 3.27Å; E17-T20 PolarHBondContact O-OG1 2.74Å; T20-T24 VanDerWaalsContact O-CB 3.3Å; T20-T24 WeakPolarHBondContact O-CB 3.21Å; T20-T24 PolarHBondContact O-N 3.27Å; T20-T24 PolarHBondContact O-OG1 3.45Å
21L87.9Confident87.5Confident44 Ų4442.6 Ų42.623%0.2322%0.222CC..Hα-helixtrans-64.3-46.2174.3-178.6129.1000110.9E17 L18 V19 T24 A25 L787E17-L21 WeakPolarHBondContact O-CB 3.43Å; E17-L21 PolarHBondContact O-N 3.15Å; L18-L21 PolarHBondContact O-N 3.5Å; V19-L21 PolarHBondContact O-N 3.19Å; L21-T24 PolarHBondContact O-N 3.26Å; L21-A25 WeakPolarHBondContact O-CB 3.4Å; L21-A25 PolarHBondContact O-N 2.81Å; L21-L787 HydrophobicContact CD2-CD2 3.39Å
22A87.6Confident87.8Confident4 Ų444 Ų443%0.03323%0.23CC..Hα-helixtrans-64.5-45.4177.500000112.4L18 V19 T24 A25 T26 Y745 V765L18-A22 WeakPolarHBondContact O-CB 3.32Å; L18-A22 PolarHBondContact O-N 3.19Å; V19-A22 PolarHBondContact O-N 3.08Å; A22-T24 VanDerWaalsContact C-N 3.34Å; A22-T24 PolarHBondContact O-N 2.68Å; A22-A25 PolarHBondContact O-N 2.87Å; A22-T26 VanDerWaalsContact O-CB 3.31Å; A22-T26 WeakPolarHBondContact O-CB 3.45Å; A22-T26 VanDerWaalsContact O-CG2 3.22Å; A22-T26 WeakPolarHBondContact O-CG2 3.47Å; A22-T26 PolarHBondContact O-N 2.86Å; A22-T26 PolarHBondContact O-OG1 3.35Å; A22-Y745 HydrophobicContact CB-CD1 4.07Å; A22-Y745 HydrophobicContact CB-CE1 3.75Å; A22-V765 HydrophobicContact CB-CG1 4.33Å
23D88.6Confident88Confident57 Ų5746.9 Ų46.931%0.30524%0.242SC..Hα-helixtrans-58-46.4176.2-81.5-41.4000111V19 T26 A27 Y745V19-D23 WeakPolarHBondContact CG1-OD2 3.33Å; V19-D23 WeakPolarHBondContact O-CB 3.39Å; V19-D23 PolarHBondContact O-N 3.12Å; D23-T26 PolarHBondContact O-OG1 3.28Å; D23-A27 PolarHBondContact O-N 3Å; D23-Y745 VanDerWaalsContact CG-OH 3.28Å; D23-Y745 PolarHBondContact OD1-OH 3.49Å
24T88.3Confident88.3Confident77 Ų7743.2 Ų43.247%0.47223%0.225SC..Hα-helixtrans-70.2-42.7-178.1-52.30000111.4T20 L21 A22 V698T20-T24 VanDerWaalsContact O-CB 3.3Å; T20-T24 WeakPolarHBondContact O-CB 3.21Å; T20-T24 PolarHBondContact O-N 3.27Å; T20-T24 PolarHBondContact O-OG1 3.45Å; L21-T24 PolarHBondContact O-N 3.26Å; A22-T24 VanDerWaalsContact C-N 3.34Å; A22-T24 PolarHBondContact O-N 2.68Å; T24-V698 HydrophobicContact CG2-CG2 4.27Å
25A87.3Confident88.6Confident0 Ų043 Ų430%022%0.224CC..Hα-helixtrans-72.4-39.3-177.800000113.1L21 A22 V698 T701 R704 V785L21-A25 WeakPolarHBondContact O-CB 3.4Å; L21-A25 PolarHBondContact O-N 2.81Å; A22-A25 PolarHBondContact O-N 2.87Å; A25-V698 HydrophobicContact CB-CB 4.42Å; A25-V698 HydrophobicContact CB-CG1 4.27Å; A25-V698 HydrophobicContact CB-CG2 4.37Å; A25-T701 HydrophobicContact CB-CG2 3.8Å; A25-R704 WeakPolarHBondContact O-CD 3.23Å; A25-V785 HydrophobicContact CB-CG1 4.37Å; A25-V785 HydrophobicContact CB-CG2 3.57Å
26T87.4Confident88.9Confident2 Ų245.1 Ų45.11%0.01224%0.236CC..Hα-helixtrans-72.8-31.7178.856.30000112.4A22 D23 G28 W693 V783 V785A22-T26 VanDerWaalsContact O-CB 3.31Å; A22-T26 WeakPolarHBondContact O-CB 3.45Å; A22-T26 VanDerWaalsContact O-CG2 3.22Å; A22-T26 WeakPolarHBondContact O-CG2 3.47Å; A22-T26 PolarHBondContact O-N 2.86Å; A22-T26 PolarHBondContact O-OG1 3.35Å; D23-T26 PolarHBondContact O-OG1 3.28Å; T26-G28 PolarHBondContact O-N 3.22Å; T26-W693 PolarHBondContact O-NE1 3.03Å; T26-V783 HydrophobicContact CG2-CB 4.43Å; T26-V783 HydrophobicContact CG2-CG2 4.18Å; T26-V785 HydrophobicContact CG2-CG2 3.57Å
27A89.3Confident89Confident6 Ų645.5 Ų45.55%0.0524%0.237CC..  trans54.735.2-172.500000113.5D23 Q29 S30 L31 L689 V692D23-A27 PolarHBondContact O-N 3Å; A27-Q29 VanDerWaalsContact C-N 3.3Å; A27-Q29 PolarHBondContact O-N 3.11Å; A27-S30 VanDerWaalsContact O-CB 3.3Å; A27-S30 WeakPolarHBondContact O-CB 3.43Å; A27-S30 PolarHBondContact O-N 3.46Å; A27-L31 PolarHBondContact O-N 3.24Å; A27-L689 HydrophobicContact CB-CD1 4.16Å; A27-V692 HydrophobicContact CB-CG1 4.24Å
28G86.9Confident89.1Confident10 Ų1042.8 Ų42.810%0.10323%0.225CC..Hα-helixtrans-60.3-33.4-176.500000114.7T26 S30 L31 T32T26-G28 PolarHBondContact O-N 3.22Å; G28-S30 VanDerWaalsContact C-N 3.32Å; G28-S30 PolarHBondContact O-N 3.03Å; G28-L31 PolarHBondContact O-N 2.91Å; G28-T32 PolarHBondContact O-N 3.38Å; G28-T32 PolarHBondContact O-OG1 3.29Å
29Q89.4Confident89.1Confident147 Ų14746.4 Ų46.469%0.68724%0.242SC*.Hα-helixtrans-63.6-38.3174.2-67.1-176.6-0.300112A27 L31 T32 Q33A27-Q29 VanDerWaalsContact C-N 3.3Å; A27-Q29 PolarHBondContact O-N 3.11Å; Q29-L31 VanDerWaalsContact C-N 3.35Å; Q29-T32 WeakPolarHBondContact O-CB 3.2Å; Q29-T32 PolarHBondContact O-N 3.5Å; Q29-Q33 WeakPolarHBondContact O-CG 3.42Å; Q29-Q33 PolarHBondContact O-N 2.74Å
30S91.2Very high89.1Confident31 Ų3152.1 Ų52.122%0.21727%0.267CS..Hα-helixtrans-64.2-41.1175.6-53.50000111A27 G28 T32 Q33 I34A27-S30 VanDerWaalsContact O-CB 3.3Å; A27-S30 WeakPolarHBondContact O-CB 3.43Å; A27-S30 PolarHBondContact O-N 3.46Å; G28-S30 VanDerWaalsContact C-N 3.32Å; G28-S30 PolarHBondContact O-N 3.03Å; S30-T32 VanDerWaalsContact C-N 3.34Å; S30-T32 PolarHBondContact O-N 2.96Å; S30-Q33 WeakPolarHBondContact O-CB 3.37Å; S30-Q33 PolarHBondContact O-N 3.4Å; S30-I34 VanDerWaalsContact O-CG1 3.29Å; S30-I34 WeakPolarHBondContact O-CG1 3.5Å; S30-I34 PolarHBondContact O-N 3.32Å
31L90.9Very high88.9Confident1 Ų149.8 Ų49.81%0.00525%0.252CS..Hα-helixtrans-61.9-42.4175-17557.2000111.6A27 G28 Q29 Q33 I34 F35 L689 V706 I769 A781 V783A27-L31 PolarHBondContact O-N 3.24Å; G28-L31 PolarHBondContact O-N 2.91Å; Q29-L31 VanDerWaalsContact C-N 3.35Å; L31-Q33 VanDerWaalsContact C-N 3.3Å; L31-Q33 PolarHBondContact O-N 3.42Å; L31-I34 WeakPolarHBondContact O-CB 3.5Å; L31-I34 PolarHBondContact O-N 3.36Å; L31-I34 VanDerWaalsContact O-N 3.12Å; L31-F35 HydrophobicContact CD1-CD2 4.01Å; L31-F35 HydrophobicContact CD1-CE2 3.75Å; L31-F35 HydrophobicContact CD2-CE2 4.31Å; L31-F35 HydrophobicContact CG-CD2 4Å; L31-F35 HydrophobicContact CG-CE2 3.84Å; L31-F35 WeakPolarHBondContact O-CD2 3.33Å; L31-F35 PolarHBondContact O-N 3.35Å; L31-L689 HydrophobicContact CB-CD1 4.09Å; L31-L689 HydrophobicContact CB-CD2 4.25Å; L31-L689 HydrophobicContact CD1-CB 4.41Å; L31-L689 HydrophobicContact CD1-CD2 4.25Å; L31-L689 HydrophobicContact CD2-CD2 4.05Å; L31-L689 HydrophobicContact CG-CD2 4.41Å; L31-V706 HydrophobicContact CD2-CG2 3.99Å; L31-I769 HydrophobicContact CB-CD1 4.49Å; L31-I769 HydrophobicContact CD2-CD1 4.29Å; L31-I769 HydrophobicContact CD2-CG1 3.89Å; L31-A781 HydrophobicContact CD2-CB 4.14Å; L31-V783 HydrophobicContact CD2-CG1 3.63Å
32T91.4Very high89Confident31 Ų3148.2 Ų48.219%0.1924%0.243CC..Hα-helixtrans-58-43.8175-50.60000111.2G28 Q29 S30 I34 F35 L36 L771G28-T32 PolarHBondContact O-N 3.38Å; G28-T32 PolarHBondContact O-OG1 3.29Å; Q29-T32 WeakPolarHBondContact O-CB 3.2Å; Q29-T32 PolarHBondContact O-N 3.5Å; S30-T32 VanDerWaalsContact C-N 3.34Å; S30-T32 PolarHBondContact O-N 2.96Å; T32-I34 PolarHBondContact O-N 3.48Å; T32-F35 PolarHBondContact O-N 3.07Å; T32-L36 HydrophobicContact CG2-CD1 4.46Å; T32-L36 WeakPolarHBondContact O-CG 3.43Å; T32-L36 PolarHBondContact O-N 3.31Å; T32-L36 VanDerWaalsContact O-N 3.08Å; T32-L771 HydrophobicContact CG2-CD1 4.01Å
33Q91.8Very high89.1Confident132 Ų13250 Ų5062%0.61725%0.254SS*.Hα-helixtrans-64.8-37.1175.9-69.5177.1-4.700112.7Q29 S30 L31 L36 K37Q29-Q33 WeakPolarHBondContact O-CG 3.42Å; Q29-Q33 PolarHBondContact O-N 2.74Å; S30-Q33 WeakPolarHBondContact O-CB 3.37Å; S30-Q33 PolarHBondContact O-N 3.4Å; L31-Q33 VanDerWaalsContact C-N 3.3Å; L31-Q33 PolarHBondContact O-N 3.42Å; Q33-L36 PolarHBondContact O-N 3.15Å; Q33-K37 WeakPolarHBondContact O-CB 3.27Å; Q33-K37 PolarHBondContact O-N 2.99Å
34I91.3Very high89.2Confident16 Ų1649.8 Ų49.88%0.08225%0.254CS..Hα-helixtrans-62.3-45.6175.5-70.5162.1000110.5S30 L31 T32 L36 K37 N38 L685 E688 L689S30-I34 VanDerWaalsContact O-CG1 3.29Å; S30-I34 WeakPolarHBondContact O-CG1 3.5Å; S30-I34 PolarHBondContact O-N 3.32Å; L31-I34 WeakPolarHBondContact O-CB 3.5Å; L31-I34 PolarHBondContact O-N 3.36Å; L31-I34 VanDerWaalsContact O-N 3.12Å; T32-I34 PolarHBondContact O-N 3.48Å; I34-L36 VanDerWaalsContact C-N 3.34Å; I34-L36 PolarHBondContact O-N 3.02Å; I34-K37 PolarHBondContact O-N 3.41Å; I34-N38 WeakPolarHBondContact O-CB 3.36Å; I34-N38 PolarHBondContact O-N 3.46Å; I34-N38 VanDerWaalsContact O-N 3.11Å; I34-L685 HydrophobicContact CG2-CB 4.35Å; I34-L685 HydrophobicContact CG2-CD2 3.8Å; I34-E688 HydrophobicContact CD1-CB 3.87Å; I34-E688 HydrophobicContact CG1-CB 4.33Å; I34-E688 HydrophobicContact CG2-CB 4.26Å; I34-E688 WeakPolarHBondContact CG2-OE2 3.4Å; I34-L689 HydrophobicContact CD1-CB 4.33Å
35F90.4Very high89.3Confident4 Ų450.2 Ų50.22%0.01825%0.251CS..Hα-helixtrans-59.1-44.7174.6-87.4-82.2000111.9L31 T32 N38 Q39 Y42 I605 L685 L771 P780L31-F35 HydrophobicContact CD1-CD2 4.01Å; L31-F35 HydrophobicContact CD1-CE2 3.75Å; L31-F35 HydrophobicContact CD2-CE2 4.31Å; L31-F35 HydrophobicContact CG-CD2 4Å; L31-F35 HydrophobicContact CG-CE2 3.84Å; L31-F35 WeakPolarHBondContact O-CD2 3.33Å; L31-F35 PolarHBondContact O-N 3.35Å; T32-F35 PolarHBondContact O-N 3.07Å; F35-N38 PolarHBondContact O-N 3.19Å; F35-Q39 PolarHBondContact O-N 3.28Å; F35-Y42 HydrophobicContact CD1-CE1 4.4Å; F35-Y42 PolarHBondContact O-OH 3Å; F35-I605 HydrophobicContact CE1-CD1 4.37Å; F35-L685 HydrophobicContact CD1-CD1 3.77Å; F35-L685 HydrophobicContact CE1-CD1 3.35Å; F35-L685 HydrophobicContact CE2-CD1 4.42Å; F35-L685 HydrophobicContact CG-CD1 4.45Å; F35-L685 HydrophobicContact CZ-CD1 3.72Å; F35-L771 HydrophobicContact CB-CD1 3.99Å; F35-L771 HydrophobicContact CB-CD2 3.91Å; F35-L771 HydrophobicContact CD1-CD2 4.16Å; F35-L771 HydrophobicContact CG-CD2 4.16Å; F35-P780 HydrophobicContact CD1-CG 4.42Å; F35-P780 HydrophobicContact CD2-CG 4.41Å; F35-P780 HydrophobicContact CE1-CB 3.95Å; F35-P780 HydrophobicContact CE1-CG 4.02Å; F35-P780 HydrophobicContact CE2-CG 4.04Å; F35-P780 HydrophobicContact CZ-CB 3.86Å; F35-P780 HydrophobicContact CZ-CG 3.83Å
36L90.6Very high89.5Confident72 Ų7257 Ų5738%0.37728%0.282SS..Hα-helixtrans-66.5-36.5178.9-68173.3000112.8T32 Q33 I34 N38 Q39 L771T32-L36 HydrophobicContact CG2-CD1 4.46Å; T32-L36 WeakPolarHBondContact O-CG 3.43Å; T32-L36 PolarHBondContact O-N 3.31Å; T32-L36 VanDerWaalsContact O-N 3.08Å; Q33-L36 PolarHBondContact O-N 3.15Å; I34-L36 VanDerWaalsContact C-N 3.34Å; I34-L36 PolarHBondContact O-N 3.02Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-Q39 VanDerWaalsContact O-CG 3.28Å; L36-Q39 WeakPolarHBondContact O-CG 3.41Å; L36-L771 HydrophobicContact CD2-CD1 3.79Å; L36-L771 HydrophobicContact CG-CD1 3.93Å
37K91Very high89.6Confident148 Ų14857.3 Ų57.364%0.64328%0.284SS*.Hα-helixtrans-66.6-36.1177.1-176-174.9172.6-1620112.1Q33 I34Q33-K37 WeakPolarHBondContact O-CB 3.27Å; Q33-K37 PolarHBondContact O-N 2.99Å; I34-K37 PolarHBondContact O-N 3.41Å
38N88.3Confident89.8Confident16 Ų1661 Ų619%0.08630%0.303CS..THydrogen-bonded Turntrans-99.824-172.8-67.6-25.3000113.8I34 F35 L36 H40 L41 Y42 L685I34-N38 WeakPolarHBondContact O-CB 3.36Å; I34-N38 PolarHBondContact O-N 3.46Å; I34-N38 VanDerWaalsContact O-N 3.11Å; F35-N38 PolarHBondContact O-N 3.19Å; L36-N38 VanDerWaalsContact C-N 3.33Å; N38-H40 PolarHBondContact O-N 2.98Å; N38-H40 VanDerWaalsContact O-N 3.08Å; N38-L41 HydrophobicContact CB-CD1 4.03Å; N38-L41 WeakPolarHBondContact O-CB 3.3Å; N38-L41 PolarHBondContact O-N 2.97Å; N38-Y42 WeakPolarHBondContact O-CE1 3.39Å; N38-L685 HydrophobicContact CB-CD2 3.81Å; N38-L685 WeakPolarHBondContact ND2-CD2 3.37Å
39Q85.3Confident90Very high89 Ų8961.2 Ų61.242%0.41630%0.303SS..G310 helixtrans-55.2-26.2178.7-78.8175.4-3.300114.7F35 L36 L41 Y42F35-Q39 PolarHBondContact O-N 3.28Å; L36-Q39 VanDerWaalsContact O-CG 3.28Å; L36-Q39 WeakPolarHBondContact O-CG 3.41Å; Q39-L41 PolarHBondContact O-N 3.19Å; Q39-Y42 PolarHBondContact O-N 3.47Å
40H86.4Confident90.1Very high138 Ų13860.3 Ų60.364%0.63930%0.299SS*.G310 helixtrans-67.8-15.817864-79.5000113.8N38N38-H40 PolarHBondContact O-N 2.98Å; N38-H40 VanDerWaalsContact O-N 3.08Å
41L85.7Confident90.2Very high20 Ų2063.8 Ų63.811%0.10531%0.312CS..G310 helixtrans-88.2-7.8-178.8-59.5179.4000113.7N38 Q39 K608 L681N38-L41 HydrophobicContact CB-CD1 4.03Å; N38-L41 WeakPolarHBondContact O-CB 3.3Å; N38-L41 PolarHBondContact O-N 2.97Å; Q39-L41 PolarHBondContact O-N 3.19Å; L41-K608 CarbonylContact O-C 3.54Å; L41-K608 PolarHBondContact O-N 3.25Å; L41-L681 HydrophobicContact CB-CD1 3.61Å; L41-L681 HydrophobicContact CD1-CD1 3.97Å; L41-L681 HydrophobicContact CG-CD1 4.44Å
42Y89.5Confident90.3Very high12 Ų1264.9 Ų64.95%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-150.5165-176.663.3-92.3000113F35 N38 Q39 I605 Q606 L681 I773F35-Y42 HydrophobicContact CD1-CE1 4.4Å; F35-Y42 PolarHBondContact O-OH 3Å; N38-Y42 WeakPolarHBondContact O-CE1 3.39Å; Q39-Y42 PolarHBondContact O-N 3.47Å; Y42-I605 HydrophobicContact CD2-CG2 3.6Å; Y42-I605 HydrophobicContact CE2-CD1 4.5Å; Y42-I605 HydrophobicContact CE2-CG2 4.44Å; Y42-I605 HydrophobicContact CG-CG2 3.72Å; Y42-Q606 CarbonylContact C-O 3.56Å; Y42-Q606 VanDerWaalsContact CA-O 3.32Å; Y42-Q606 WeakPolarHBondContact CA-O 3.41Å; Y42-Q606 WeakPolarHBondContact CB-O 3.43Å; Y42-L681 HydrophobicContact CD1-CD2 4.18Å; Y42-L681 HydrophobicContact CG-CD2 4.32Å; Y42-I773 HydrophobicContact CE2-CD1 3.7Å
43T90.9Very high90.4Very high42 Ų4263.5 Ų63.526%0.25831%0.31SS..EExtended strand (participates in β ladder)trans-127.9152.2172.646.70000110Q606 K608T43-Q606 PolarHBondContact N-O 3.43Å; T43-Q606 PolarHBondContact O-N 3.43Å; T43-K608 HydrophobicContact CG2-CD 3.91Å
44V90.7Very high90.5Very high51 Ų5158.7 Ų58.731%0.30929%0.292SS..EExtended strand (participates in β ladder)trans-96.3124175.1-176.90000108.2N603 F604 I773 L778V44-N603 HydrophobicContact CG1-CB 4.03Å; V44-F604 WeakPolarHBondContact CA-O 3.28Å; V44-I773 HydrophobicContact CG2-CD1 4.15Å; V44-I773 HydrophobicContact CG2-CG2 4.37Å; V44-L778 HydrophobicContact CG1-CD1 3.95Å; V44-L778 HydrophobicContact CG1-CD2 4.4Å; V44-L778 HydrophobicContact CG2-CD1 3.73Å
45E90.3Very high90.7Very high87 Ų8764 Ų6441%0.40731%0.311SS..EExtended strand (participates in β ladder)trans-115.6155.9176.7-69.7-175.9-171.800110N603 F604 Q606E45-N603 CarbonylContact O-C 3.56Å; E45-N603 VanDerWaalsContact O-CA 3.27Å; E45-N603 WeakPolarHBondContact O-CA 2.94Å; E45-F604 HydrophobicContact CB-CD1 4.21Å; E45-F604 HydrophobicContact CB-CE1 3.58Å; E45-F604 HydrophobicContact CB-CE2 4.24Å; E45-F604 HydrophobicContact CB-CZ 3.6Å; E45-F604 HydrophobicContact CG-CZ 4.44Å; E45-F604 PolarHBondContact N-O 3.05Å; E45-F604 PolarHBondContact O-N 3.04Å; E45-F604 WeakPolarHBondContact OE2-CZ 3.08Å; E45-Q606 HydrophobicContact CG-CB 4.15Å
46Q90.3Very high90.9Very high142 Ų14264 Ų6466%0.66431%0.312SS*.EExtended strand (participates in β ladder)trans-101.6136.1-177.9-170.6176.3-0.300110.6E602Q46-E602 CarbonylContact C-O 3.53Å; Q46-E602 WeakPolarHBondContact CA-O 3.04Å; Q46-E602 WeakPolarHBondContact CG-O 3.39Å
47N90.3Very high91Very high9 Ų960.9 Ų60.95%0.04830%0.296CS..  trans-8899168.9-71.9-43.5000109A49 L52 T478 S601 E602 F604N47-A49 PolarHBondContact O-N 3.4Å; N47-L52 HydrophobicContact CB-CD1 3.92Å; N47-T478 PolarHBondContact ND2-O 3.21Å; N47-S601 PolarHBondContact ND2-O 3.42Å; N47-E602 PolarHBondContact N-O 2.76Å; N47-F604 WeakPolarHBondContact OD1-CD1 3.15Å; N47-F604 WeakPolarHBondContact OD1-CE1 3.44Å
48D92.1Very high91.2Very high83 Ų8361.3 Ų61.344%0.44429%0.294SS..  trans-76.3105.6167.2-172.3-27000109.1E50 E51 L52D48-E50 VanDerWaalsContact C-N 3.31Å; D48-E50 PolarHBondContact O-N 3.32Å; D48-E50 PolarHBondContact OD1-N 3.12Å; D48-E50 VanDerWaalsContact OD1-N 3.12Å; D48-E51 HydrophobicContact CB-CB 3.98Å; D48-E51 PolarHBondContact O-N 3.22Å; D48-E51 PolarHBondContact OD1-N 3.16Å; D48-L52 WeakPolarHBondContact O-CB 3.3Å; D48-L52 WeakPolarHBondContact O-CG 3.46Å; D48-L52 PolarHBondContact O-N 3.33Å
49A91.2Very high91.5Very high14 Ų1463.3 Ų63.312%0.11630%0.304CS..Hα-helixtrans-61-38.8-175.600000112.5N47 L52 V53 T582 L595 L597N47-A49 PolarHBondContact O-N 3.4Å; A49-L52 PolarHBondContact O-N 3.33Å; A49-V53 WeakPolarHBondContact O-CB 3.45Å; A49-V53 VanDerWaalsContact O-CG2 3.26Å; A49-V53 WeakPolarHBondContact O-CG2 3.18Å; A49-V53 PolarHBondContact O-N 3.08Å; A49-T582 HydrophobicContact CB-CG2 4.4Å; A49-L595 HydrophobicContact CB-CD2 4.18Å; A49-L597 HydrophobicContact CB-CD1 3.87Å
50E92.4Very high92Very high129 Ų12959.4 Ų59.460%0.60329%0.286SS*.Hα-helixtrans-67.4-44.8-179.6-169.9-177.6171.400110.3D48 A54 T582D48-E50 VanDerWaalsContact C-N 3.31Å; D48-E50 PolarHBondContact O-N 3.32Å; D48-E50 PolarHBondContact OD1-N 3.12Å; D48-E50 VanDerWaalsContact OD1-N 3.12Å; E50-A54 VanDerWaalsContact O-CB 3.26Å; E50-A54 WeakPolarHBondContact O-CB 3.27Å; E50-A54 PolarHBondContact O-N 3.13Å; E50-T582 HydrophobicContact CB-CG2 4.5Å
51E92.8Very high92.4Very high104 Ų10455 Ų5549%0.48627%0.266SS..Hα-helixtrans-65.2-41.3176.9-162.3-167.115700111.8D48 A54 R55D48-E51 HydrophobicContact CB-CB 3.98Å; D48-E51 PolarHBondContact O-N 3.22Å; D48-E51 PolarHBondContact OD1-N 3.16Å; E51-A54 PolarHBondContact O-N 3.33Å; E51-R55 VanDerWaalsContact O-CB 3.22Å; E51-R55 WeakPolarHBondContact O-CB 3.41Å; E51-R55 PolarHBondContact O-N 2.81Å; E51-R55 IonicContact OE1-CZ 3Å; E51-R55 IonicContact OE1-NH2 2.77Å; E51-R55 PolarHBondContact OE1-NH2 3.07Å
52L93.1Very high92.8Very high24 Ų2459.6 Ų59.613%0.12629%0.287CS..Hα-helixtrans-62.2-47.6178.6-77.1177.1000111.8N47 D48 A49 R55 A56 I479 L595N47-L52 HydrophobicContact CB-CD1 3.92Å; D48-L52 WeakPolarHBondContact O-CB 3.3Å; D48-L52 WeakPolarHBondContact O-CG 3.46Å; D48-L52 PolarHBondContact O-N 3.33Å; A49-L52 PolarHBondContact O-N 3.33Å; L52-R55 PolarHBondContact O-N 3.25Å; L52-A56 WeakPolarHBondContact O-CB 3.41Å; L52-A56 PolarHBondContact O-N 3.3Å; L52-I479 HydrophobicContact CD1-CG2 4.03Å; L52-L595 HydrophobicContact CB-CD2 4.08Å; L52-L595 HydrophobicContact CD1-CD2 4.18Å
53V94.8Very high93Very high2 Ų260.2 Ų60.21%0.01229%0.291CS..Hα-helixtrans-63.1-46.9176174.10000110.4A49 R55 A56 A57 Y485 A584 L593 L595A49-V53 WeakPolarHBondContact O-CB 3.45Å; A49-V53 VanDerWaalsContact O-CG2 3.26Å; A49-V53 WeakPolarHBondContact O-CG2 3.18Å; A49-V53 PolarHBondContact O-N 3.08Å; V53-R55 VanDerWaalsContact C-N 3.3Å; V53-R55 PolarHBondContact O-N 3.4Å; V53-A56 PolarHBondContact O-N 2.94Å; V53-A57 VanDerWaalsContact O-CB 3.27Å; V53-A57 WeakPolarHBondContact O-CB 3.38Å; V53-A57 PolarHBondContact O-N 3.19Å; V53-Y485 HydrophobicContact CG2-CE1 4.44Å; V53-A584 HydrophobicContact CG1-CB 3.77Å; V53-L593 HydrophobicContact CG1-CD2 4.32Å; V53-L595 HydrophobicContact CG2-CB 3.31Å; V53-L595 HydrophobicContact CG2-CD2 4.17Å; V53-L595 HydrophobicContact CG2-CG 4.38Å
54A93.8Very high93.1Very high30 Ų3058.3 Ų58.325%0.24828%0.279CS..Hα-helixtrans-61.9-37.9179.300000112.4E50 E51 R58E50-A54 VanDerWaalsContact O-CB 3.26Å; E50-A54 WeakPolarHBondContact O-CB 3.27Å; E50-A54 PolarHBondContact O-N 3.13Å; E51-A54 PolarHBondContact O-N 3.33Å; A54-R58 WeakPolarHBondContact O-CB 3.46Å; A54-R58 VanDerWaalsContact O-CG 3.26Å; A54-R58 WeakPolarHBondContact O-CG 3.46Å; A54-R58 PolarHBondContact O-N 2.71Å; A54-R58 VanDerWaalsContact O-N 3.1Å
55R94.3Very high93.3Very high129 Ų12964.5 Ų64.549%0.48730%0.297SS..Hα-helixtrans-68.4-46.2176.5-172.4-174.8-61.9173.50.8111.4E51 L52 V53 R58 N59E51-R55 VanDerWaalsContact O-CB 3.22Å; E51-R55 WeakPolarHBondContact O-CB 3.41Å; E51-R55 PolarHBondContact O-N 2.81Å; E51-R55 IonicContact OE1-CZ 3Å; E51-R55 IonicContact OE1-NH2 2.77Å; E51-R55 PolarHBondContact OE1-NH2 3.07Å; L52-R55 PolarHBondContact O-N 3.25Å; V53-R55 VanDerWaalsContact C-N 3.3Å; V53-R55 PolarHBondContact O-N 3.4Å; R55-R58 PolarHBondContact O-N 3.03Å; R55-N59 VanDerWaalsContact O-CG 3.28Å; R55-N59 PolarHBondContact O-N 3.29Å; R55-N59 PolarHBondContact O-ND2 2.96Å
56A94.2Very high93.4Very high3 Ų366.6 Ų66.63%0.02531%0.305CS..Hα-helixtrans-63.3-44.6177.700000111.5L52 V53 R58 N59 I60 T474 Y485 L593L52-A56 WeakPolarHBondContact O-CB 3.41Å; L52-A56 PolarHBondContact O-N 3.3Å; V53-A56 PolarHBondContact O-N 2.94Å; A56-R58 PolarHBondContact O-N 3.47Å; A56-N59 PolarHBondContact O-N 3.35Å; A56-N59 VanDerWaalsContact O-N 3.15Å; A56-I60 WeakPolarHBondContact O-CG1 3.42Å; A56-I60 PolarHBondContact O-N 3.29Å; A56-T474 HydrophobicContact CB-CG2 4.32Å; A56-Y485 HydrophobicContact CB-CE1 4.2Å; A56-L593 HydrophobicContact CB-CD2 3.48Å; A56-L593 VanDerWaalsContact CB-CD2 3.48Å
57A94.4Very high93.6Very high6 Ų660 Ų605%0.0527%0.274CS..Hα-helixtrans-58-45.1175.700000111.8V53 N59 I60 E61 V586 L593V53-A57 VanDerWaalsContact O-CB 3.27Å; V53-A57 WeakPolarHBondContact O-CB 3.38Å; V53-A57 PolarHBondContact O-N 3.19Å; A57-N59 PolarHBondContact O-N 3.05Å; A57-I60 PolarHBondContact O-N 3.39Å; A57-E61 WeakPolarHBondContact O-CB 3.49Å; A57-E61 PolarHBondContact O-N 3.35Å; A57-V586 HydrophobicContact CB-CG2 4.11Å; A57-L593 HydrophobicContact CB-CD2 4.36Å
58R95.1Very high93.8Very high158 Ų15860.7 Ų60.760%0.59628%0.279SS*.Hα-helixtrans-62.9-38.3175.5-74.8173.8-171161.96.9113.2A54 R55 A56 Q62A54-R58 WeakPolarHBondContact O-CB 3.46Å; A54-R58 VanDerWaalsContact O-CG 3.26Å; A54-R58 WeakPolarHBondContact O-CG 3.46Å; A54-R58 PolarHBondContact O-N 2.71Å; A54-R58 VanDerWaalsContact O-N 3.1Å; R55-R58 PolarHBondContact O-N 3.03Å; A56-R58 PolarHBondContact O-N 3.47Å; R58-Q62 WeakPolarHBondContact O-CB 3.34Å; R58-Q62 VanDerWaalsContact O-CG 3.29Å; R58-Q62 WeakPolarHBondContact O-CG 3.18Å; R58-Q62 PolarHBondContact O-N 3.27Å
59N94.5Very high93.9Very high58 Ų5858.9 Ų58.931%0.3128%0.276SS..Hα-helixtrans-66.9-42178.3-71.2-17.5000111.3R55 A56 A57 Q62 L63 L473R55-N59 VanDerWaalsContact O-CG 3.28Å; R55-N59 PolarHBondContact O-N 3.29Å; R55-N59 PolarHBondContact O-ND2 2.96Å; A56-N59 PolarHBondContact O-N 3.35Å; A56-N59 VanDerWaalsContact O-N 3.15Å; A57-N59 PolarHBondContact O-N 3.05Å; N59-Q62 PolarHBondContact O-N 3.36Å; N59-L63 PolarHBondContact O-N 3.43Å; N59-L473 HydrophobicContact CB-CB 4.3Å; N59-L473 HydrophobicContact CB-CD1 4.32Å; N59-L473 HydrophobicContact CB-CD2 4.3Å
60I94.5Very high94.1Very high6 Ų658.7 Ų58.73%0.03127%0.274CS..Hα-helixtrans-65.1-46.3175.7-64.2169.3000109.9A56 A57 Q62 L63 L64 I470 L473 T474 V586 L593A56-I60 WeakPolarHBondContact O-CG1 3.42Å; A56-I60 PolarHBondContact O-N 3.29Å; A57-I60 PolarHBondContact O-N 3.39Å; I60-Q62 VanDerWaalsContact C-N 3.31Å; I60-Q62 PolarHBondContact O-N 3.01Å; I60-L63 WeakPolarHBondContact O-CB 3.43Å; I60-L63 PolarHBondContact O-N 3.1Å; I60-L63 VanDerWaalsContact O-N 3.15Å; I60-L64 HydrophobicContact CG2-CD1 3.78Å; I60-L64 HydrophobicContact CG2-CG 4.16Å; I60-L64 WeakPolarHBondContact O-CG 3.37Å; I60-L64 PolarHBondContact O-N 3.05Å; I60-I470 HydrophobicContact CD1-CG2 4.03Å; I60-I470 HydrophobicContact CG1-CG2 4.28Å; I60-L473 HydrophobicContact CG1-CB 4.41Å; I60-L473 HydrophobicContact CG1-CD1 4.11Å; I60-T474 HydrophobicContact CD1-CG2 4.3Å; I60-V586 HydrophobicContact CB-CG1 4.36Å; I60-V586 HydrophobicContact CG2-CG1 4.12Å; I60-L593 HydrophobicContact CD1-CD1 4.14Å; I60-L593 HydrophobicContact CD1-CD2 4.39Å
61E94.9Very high94.2Very high47 Ų4752.5 Ų52.522%0.2225%0.245CC..Hα-helixtrans-52.4-48.9173.4167.8-178.1-178.800111.1A57 L63 L64 R65 V586 N587A57-E61 WeakPolarHBondContact O-CB 3.49Å; A57-E61 PolarHBondContact O-N 3.35Å; E61-L63 PolarHBondContact O-N 3.29Å; E61-L64 PolarHBondContact O-N 3.29Å; E61-R65 WeakPolarHBondContact O-CB 3.26Å; E61-R65 PolarHBondContact O-N 3.39Å; E61-V586 HydrophobicContact CB-CG1 4.03Å; E61-N587 WeakPolarHBondContact CB-O 3.42Å; E61-N587 VanDerWaalsContact CD-O 3.24Å; E61-N587 WeakPolarHBondContact CG-O 3.2Å
62Q94.1Very high94.3Very high115 Ų11552.4 Ų52.454%0.53725%0.245SC..Hα-helixtrans-64-39.7179.9-74.8178.413.300112.7R58 N59 I60 K66R58-Q62 WeakPolarHBondContact O-CB 3.34Å; R58-Q62 VanDerWaalsContact O-CG 3.29Å; R58-Q62 WeakPolarHBondContact O-CG 3.18Å; R58-Q62 PolarHBondContact O-N 3.27Å; N59-Q62 PolarHBondContact O-N 3.36Å; I60-Q62 VanDerWaalsContact C-N 3.31Å; I60-Q62 PolarHBondContact O-N 3.01Å; Q62-K66 WeakPolarHBondContact O-CG 3.48Å; Q62-K66 PolarHBondContact O-N 3.14Å
63L93.6Very high94.4Very high25 Ų2556 Ų5613%0.13126%0.26CS..Hα-helixtrans-61.3-53.8175.7178.268.4000110.4N59 I60 E61 R65 K66 R67 V465 L473N59-L63 PolarHBondContact O-N 3.43Å; I60-L63 WeakPolarHBondContact O-CB 3.43Å; I60-L63 PolarHBondContact O-N 3.1Å; I60-L63 VanDerWaalsContact O-N 3.15Å; E61-L63 PolarHBondContact O-N 3.29Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 2.97Å; L63-K66 PolarHBondContact O-N 3.18Å; L63-R67 WeakPolarHBondContact O-CG 3.26Å; L63-R67 PolarHBondContact O-N 3.27Å; L63-R67 VanDerWaalsContact O-N 3.15Å; L63-V465 HydrophobicContact CD2-CG1 4.07Å; L63-L473 HydrophobicContact CB-CD1 4.01Å; L63-L473 HydrophobicContact CD2-CD1 3.75Å; L63-L473 HydrophobicContact CG-CD1 4.45Å
64L93.7Very high94.4Very high3 Ų356 Ų562%0.01626%0.259CS..Hα-helixtrans-65-36.5-177.6-61.6-179.1000111.4I60 E61 R67 S68 W418 I432 V465 T589 Y591I60-L64 HydrophobicContact CG2-CD1 3.78Å; I60-L64 HydrophobicContact CG2-CG 4.16Å; I60-L64 WeakPolarHBondContact O-CG 3.37Å; I60-L64 PolarHBondContact O-N 3.05Å; E61-L64 PolarHBondContact O-N 3.29Å; L64-R67 PolarHBondContact O-N 3.35Å; L64-S68 WeakPolarHBondContact O-CB 3.21Å; L64-S68 PolarHBondContact O-N 2.93Å; L64-W418 HydrophobicContact CB-CH2 4.32Å; L64-W418 HydrophobicContact CB-CZ2 3.68Å; L64-W418 HydrophobicContact CD2-CD2 4.35Å; L64-W418 HydrophobicContact CD2-CE3 4.23Å; L64-W418 HydrophobicContact CD2-CH2 3.5Å; L64-W418 VanDerWaalsContact CD2-CH2 3.5Å; L64-W418 HydrophobicContact CD2-CZ2 3.6Å; L64-W418 HydrophobicContact CD2-CZ3 3.82Å; L64-W418 HydrophobicContact CG-CH2 4.46Å; L64-W418 HydrophobicContact CG-CZ2 4.13Å; L64-I432 HydrophobicContact CD2-CD1 4.38Å; L64-V465 HydrophobicContact CD2-CG2 4.31Å; L64-T589 HydrophobicContact CB-CG2 4.33Å; L64-T589 HydrophobicContact CD1-CG2 3.66Å; L64-Y591 HydrophobicContact CD1-CD2 4.06Å; L64-Y591 HydrophobicContact CD1-CE2 4.1Å
65R94.3Very high94.5Very high180 Ų18054.6 Ų54.668%0.67925%0.248SC*.Hα-helixtrans-65.1-39.7175.3-173.6175.7-180175.51.3113E61 L63 R67 S68 A69E61-R65 WeakPolarHBondContact O-CB 3.26Å; E61-R65 PolarHBondContact O-N 3.39Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 2.97Å; R65-R67 VanDerWaalsContact C-N 3.33Å; R65-S68 PolarHBondContact O-N 3.44Å; R65-A69 PolarHBondContact O-N 2.93Å
66K93.4Very high94.5Very high131 Ų13151.8 Ų51.857%0.5725%0.245SC*.Hα-helixtrans-63-41.5174.1-76.6178.3-179-176.70111.4Q62 L63 A69 A70Q62-K66 WeakPolarHBondContact O-CG 3.48Å; Q62-K66 PolarHBondContact O-N 3.14Å; L63-K66 PolarHBondContact O-N 3.18Å; K66-A69 PolarHBondContact O-N 2.74Å; K66-A70 PolarHBondContact O-N 3.31Å
67R94.1Very high94.5Very high4 Ų452.4 Ų52.42%0.01525%0.25CS..Hα-helixtrans-66.2-42.7176.8-62.4-72.9178.9-99.4-6.8111.6L63 L64 R65 A69 A70 L71 D172 T174 W418 V465L63-R67 WeakPolarHBondContact O-CG 3.26Å; L63-R67 PolarHBondContact O-N 3.27Å; L63-R67 VanDerWaalsContact O-N 3.15Å; L64-R67 PolarHBondContact O-N 3.35Å; R65-R67 VanDerWaalsContact C-N 3.33Å; R67-A69 VanDerWaalsContact C-N 3.34Å; R67-A69 PolarHBondContact O-N 2.45Å; R67-A70 PolarHBondContact O-N 3.47Å; R67-L71 PolarHBondContact O-N 3.5Å; R67-D172 IonicContact CZ-OD2 3.65Å; R67-D172 VanDerWaalsContact NH1-CG 3.27Å; R67-D172 IonicContact NH1-OD1 3.18Å; R67-D172 IonicContact NH1-OD2 2.68Å; R67-D172 PolarHBondContact NH1-OD2 2.79Å; R67-D172 IonicContact NH2-OD2 2.79Å; R67-T174 VanDerWaalsContact NH2-C 3.27Å; R67-T174 PolarHBondContact NH2-O 3.18Å; R67-T174 PolarHBondContact NH2-OG1 3.34Å; R67-W418 HydrophobicContact CB-CH2 3.9Å; R67-V465 HydrophobicContact CG-CG2 3.94Å
68S93.9Very high94.5Very high24 Ų2452.1 Ų52.117%0.16825%0.248CC..Hα-helixtrans-56.4-46172.8-172.40000111.9L64 R65 A70 L71 E72 V416L64-S68 WeakPolarHBondContact O-CB 3.21Å; L64-S68 PolarHBondContact O-N 2.93Å; R65-S68 PolarHBondContact O-N 3.44Å; S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 2.82Å; S68-L71 WeakPolarHBondContact O-CB 3.34Å; S68-L71 PolarHBondContact O-N 2.97Å; S68-E72 WeakPolarHBondContact O-CG 3.18Å; S68-E72 PolarHBondContact O-N 3.08Å; S68-V416 WeakPolarHBondContact OG-CG2 3.47Å
69A94.3Very high94.4Very high44 Ų4444.7 Ų44.736%0.36422%0.22SC..Hα-helixtrans-63.5-35.7178.500000112.8R65 K66 R67 K73R65-A69 PolarHBondContact O-N 2.93Å; K66-A69 PolarHBondContact O-N 2.74Å; R67-A69 VanDerWaalsContact C-N 3.34Å; R67-A69 PolarHBondContact O-N 2.45Å; A69-K73 WeakPolarHBondContact O-CG 3.21Å; A69-K73 PolarHBondContact O-N 2.79Å
70A95.4Very high94.4Very high10 Ų1045.2 Ų45.28%0.08323%0.225CC..Hα-helixtrans-68-40.1174.500000112.2K66 R67 S68 K73 L74 N168 L175 I463K66-A70 PolarHBondContact O-N 3.31Å; R67-A70 PolarHBondContact O-N 3.47Å; S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 2.82Å; A70-K73 PolarHBondContact O-N 3.49Å; A70-L74 WeakPolarHBondContact O-CG 3.47Å; A70-L74 PolarHBondContact O-N 3.4Å; A70-L74 VanDerWaalsContact O-N 3.08Å; A70-N168 PolarHBondContact O-ND2 3.02Å; A70-L175 HydrophobicContact CB-CD1 4.19Å; A70-I463 HydrophobicContact CB-CD1 3.7Å
71L95.2Very high94.4Very high0 Ų047.7 Ų47.70%024%0.236CC..Hα-helixtrans-61.4-45.6173.7-83.1167.5000112.3R67 S68 K73 L74 A75 V416 G434 M461 I463R67-L71 PolarHBondContact O-N 3.5Å; S68-L71 WeakPolarHBondContact O-CB 3.34Å; S68-L71 PolarHBondContact O-N 2.97Å; L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 2.85Å; L71-L74 PolarHBondContact O-N 2.92Å; L71-A75 WeakPolarHBondContact O-CB 3.37Å; L71-A75 PolarHBondContact O-N 3.42Å; L71-V416 HydrophobicContact CD1-CG1 3.99Å; L71-V416 HydrophobicContact CD1-CG2 4.29Å; L71-G434 VanDerWaalsContact CD1-C 3.5Å; L71-G434 VanDerWaalsContact CD1-O 3.28Å; L71-G434 WeakPolarHBondContact CD1-O 3.18Å; L71-M461 HydrophobicContact CD2-CB 3.98Å; L71-I463 HydrophobicContact CD1-CB 4.35Å; L71-I463 HydrophobicContact CD2-CB 4.16Å; L71-I463 HydrophobicContact CD2-CD1 4.04Å; L71-I463 HydrophobicContact CD2-CG1 3.62Å; L71-I463 HydrophobicContact CG-CB 4.09Å; L71-I463 HydrophobicContact CG-CD1 3.72Å; L71-I463 HydrophobicContact CG-CG1 3.74Å
72E94.7Very high94.2Very high101 Ų10146.5 Ų46.547%0.47223%0.23SC..Hα-helixtrans-61.4-41.7178.2-73.8173.2-15300112S68 T76 L436S68-E72 WeakPolarHBondContact O-CG 3.18Å; S68-E72 PolarHBondContact O-N 3.08Å; E72-T76 WeakPolarHBondContact O-CB 3.39Å; E72-T76 VanDerWaalsContact O-CG2 3.29Å; E72-T76 WeakPolarHBondContact O-CG2 3.33Å; E72-T76 PolarHBondContact O-N 2.92Å; E72-T76 PolarHBondContact O-OG1 2.96Å; E72-L436 HydrophobicContact CG-CD2 4.11Å
73K94.9Very high94Very high101 Ų10147.5 Ų47.544%0.43923%0.233SC..Hα-helixtrans-59.6-44.8173.5-73.1175.2-177.8179.20111.5A69 A70 L71 T76 A77 D171A69-K73 WeakPolarHBondContact O-CG 3.21Å; A69-K73 PolarHBondContact O-N 2.79Å; A70-K73 PolarHBondContact O-N 3.49Å; L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 2.85Å; K73-T76 PolarHBondContact O-OG1 3.19Å; K73-A77 WeakPolarHBondContact O-CB 3.5Å; K73-A77 PolarHBondContact O-N 2.91Å; K73-D171 IonicContact NZ-OD2 3.01Å; K73-D171 PolarHBondContact NZ-OD2 3.35Å
74L95.6Very high93.8Very high0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-65.8-48.2179.4-77.8165.1000112.5A70 L71 T76 A77 A78 V164 F165 N168 M461 I463A70-L74 WeakPolarHBondContact O-CG 3.47Å; A70-L74 PolarHBondContact O-N 3.4Å; A70-L74 VanDerWaalsContact O-N 3.08Å; L71-L74 PolarHBondContact O-N 2.92Å; L74-T76 PolarHBondContact O-N 3.35Å; L74-A77 PolarHBondContact O-N 3.44Å; L74-A78 WeakPolarHBondContact O-CB 3.22Å; L74-A78 PolarHBondContact O-N 3.44Å; L74-V164 HydrophobicContact CD2-CB 3.94Å; L74-V164 HydrophobicContact CD2-CG1 3.57Å; L74-V164 HydrophobicContact CG-CG1 4.18Å; L74-F165 HydrophobicContact CD1-CD1 4.08Å; L74-F165 HydrophobicContact CD1-CE1 3.89Å; L74-F165 HydrophobicContact CD2-CD1 3.51Å; L74-F165 HydrophobicContact CD2-CE1 3.52Å; L74-F165 HydrophobicContact CD2-CG 4.31Å; L74-F165 HydrophobicContact CD2-CZ 4.33Å; L74-F165 HydrophobicContact CG-CD1 4.46Å; L74-F165 HydrophobicContact CG-CE1 4.36Å; L74-N168 WeakPolarHBondContact CD1-ND2 3.22Å; L74-N168 VanDerWaalsContact CG-ND2 3.34Å; L74-N168 WeakPolarHBondContact CG-ND2 3.38Å; L74-M461 HydrophobicContact CB-CE 4.49Å; L74-M461 HydrophobicContact CB-CG 4.31Å; L74-M461 HydrophobicContact CB-SD 4.12Å; L74-I463 HydrophobicContact CD1-CD1 4.14Å; L74-I463 HydrophobicContact CD1-CG1 4.48Å
75A94.8Very high93.6Very high1 Ų155.4 Ų55.41%0.00827%0.269CS..Hα-helixtrans-63.4-43.6-179.300000111.2L71 A77 A78 E79 L436 V438 M461L71-A75 WeakPolarHBondContact O-CB 3.37Å; L71-A75 PolarHBondContact O-N 3.42Å; A75-A77 PolarHBondContact O-N 2.91Å; A75-A78 PolarHBondContact O-N 3.42Å; A75-E79 WeakPolarHBondContact O-CG 3.34Å; A75-E79 PolarHBondContact O-N 2.85Å; A75-E79 VanDerWaalsContact O-N 3.12Å; A75-L436 HydrophobicContact CB-CD2 3.62Å; A75-L436 HydrophobicContact CB-CG 4.26Å; A75-V438 HydrophobicContact CB-CG2 4.15Å; A75-M461 HydrophobicContact CB-CG 4.39Å
76T94Very high93.2Very high70 Ų7050.2 Ų50.243%0.42927%0.265SS..Hα-helixtrans-64.3-38.9176.951.50000112.6E72 K73 L74 V80E72-T76 WeakPolarHBondContact O-CB 3.39Å; E72-T76 VanDerWaalsContact O-CG2 3.29Å; E72-T76 WeakPolarHBondContact O-CG2 3.33Å; E72-T76 PolarHBondContact O-N 2.92Å; E72-T76 PolarHBondContact O-OG1 2.96Å; K73-T76 PolarHBondContact O-OG1 3.19Å; L74-T76 PolarHBondContact O-N 3.35Å; T76-V80 WeakPolarHBondContact O-CG2 3.31Å; T76-V80 PolarHBondContact O-N 2.73Å
77A95.3Very high92.9Very high17 Ų1750.3 Ų50.314%0.1426%0.261CS..Hα-helixtrans-64.4-45.9174.800000112K73 L74 A75 E79 V80 F81 V164K73-A77 WeakPolarHBondContact O-CB 3.5Å; K73-A77 PolarHBondContact O-N 2.91Å; L74-A77 PolarHBondContact O-N 3.44Å; A75-A77 PolarHBondContact O-N 2.91Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 3.45Å; A77-V80 PolarHBondContact O-N 3.31Å; A77-V80 VanDerWaalsContact O-N 3.09Å; A77-F81 HydrophobicContact CB-CD2 4.31Å; A77-F81 HydrophobicContact CB-CE2 3.78Å; A77-F81 HydrophobicContact CB-CZ 4.22Å; A77-F81 VanDerWaalsContact O-CD2 3.23Å; A77-F81 WeakPolarHBondContact O-CD2 3.33Å; A77-F81 VanDerWaalsContact O-CG 3.26Å; A77-F81 WeakPolarHBondContact O-CG 3.13Å; A77-F81 PolarHBondContact O-N 2.84Å; A77-V164 HydrophobicContact CB-CG1 4.48Å; A77-V164 HydrophobicContact CB-CG2 3.95Å
78A94.9Very high92.5Very high0 Ų054.1 Ų54.10%028%0.278CS..Hα-helixtrans-58.1-43.2178.800000112.8L74 A75 V80 F81 Q82 W157 L161 V438 M461L74-A78 WeakPolarHBondContact O-CB 3.22Å; L74-A78 PolarHBondContact O-N 3.44Å; A75-A78 PolarHBondContact O-N 3.42Å; A78-V80 VanDerWaalsContact C-N 3.29Å; A78-V80 PolarHBondContact O-N 3.28Å; A78-F81 PolarHBondContact O-N 3.01Å; A78-Q82 WeakPolarHBondContact O-CB 3.35Å; A78-Q82 PolarHBondContact O-N 2.7Å; A78-W157 HydrophobicContact CB-CZ3 4.16Å; A78-L161 HydrophobicContact CB-CD2 3.92Å; A78-V438 HydrophobicContact CB-CG1 3.68Å; A78-V438 HydrophobicContact CB-CG2 4.38Å; A78-M461 HydrophobicContact CB-CE 3.54Å
79E92.9Very high92Very high2 Ų258.6 Ų58.61%0.00930%0.3CS..Hα-helixtrans-64.7-33177-67.3-178.216800113.4A75 A77 K83 K414 V438 F439 R441A75-E79 WeakPolarHBondContact O-CG 3.34Å; A75-E79 PolarHBondContact O-N 2.85Å; A75-E79 VanDerWaalsContact O-N 3.12Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 3.45Å; E79-K83 VanDerWaalsContact O-CB 3.23Å; E79-K83 WeakPolarHBondContact O-CB 3.26Å; E79-K83 PolarHBondContact O-N 3Å; E79-K414 WeakPolarHBondContact OE1-CE 3.14Å; E79-K414 IonicContact OE1-NZ 3.92Å; E79-K414 PolarHBondContact OE1-NZ 2.95Å; E79-K414 IonicContact OE2-NZ 3.33Å; E79-K414 PolarHBondContact OE2-NZ 3.26Å; E79-V438 HydrophobicContact CG-CG1 3.65Å; E79-F439 WeakPolarHBondContact CG-O 3.49Å; E79-F439 PolarHBondContact OE1-N 2.88Å; E79-R441 IonicContact OE2-CZ 3.95Å; E79-R441 IonicContact OE2-NE 3.82Å; E79-R441 PolarHBondContact OE2-NE 2.91Å; E79-R441 IonicContact OE2-NH1 2.98Å; E79-R441 PolarHBondContact OE2-NH1 3.33Å; E79-R441 VanDerWaalsContact OE2-NH1 3.12Å; E79-R441 IonicContact OE2-NH2 3.3Å; E79-R441 PolarHBondContact OE2-NH2 3.44Å
80V93.6Very high91.2Very high68 Ų6865 Ų6541%0.41232%0.322SS..Hα-helixtrans-73.4-49.8177.4171.70000109.8T76 A77 A78 Q82 K83 E84T76-V80 WeakPolarHBondContact O-CG2 3.31Å; T76-V80 PolarHBondContact O-N 2.73Å; A77-V80 PolarHBondContact O-N 3.31Å; A77-V80 VanDerWaalsContact O-N 3.09Å; A78-V80 VanDerWaalsContact C-N 3.29Å; A78-V80 PolarHBondContact O-N 3.28Å; V80-Q82 PolarHBondContact O-N 2.6Å; V80-K83 WeakPolarHBondContact O-CB 3.48Å; V80-K83 PolarHBondContact O-N 3.18Å; V80-K83 VanDerWaalsContact O-N 3.14Å; V80-E84 WeakPolarHBondContact O-CG 3.22Å; V80-E84 PolarHBondContact O-N 3.19Å
81F94Very high90.3Very high58 Ų5866 Ų6625%0.25433%0.325SS..Hα-helixtrans-59.9-45.4-178.9-62-34.4000112A77 A78 K83 E84 H85 W157 A160 L161 V164A77-F81 HydrophobicContact CB-CD2 4.31Å; A77-F81 HydrophobicContact CB-CE2 3.78Å; A77-F81 HydrophobicContact CB-CZ 4.22Å; A77-F81 VanDerWaalsContact O-CD2 3.23Å; A77-F81 WeakPolarHBondContact O-CD2 3.33Å; A77-F81 VanDerWaalsContact O-CG 3.26Å; A77-F81 WeakPolarHBondContact O-CG 3.13Å; A77-F81 PolarHBondContact O-N 2.84Å; A78-F81 PolarHBondContact O-N 3.01Å; F81-K83 VanDerWaalsContact C-N 3.28Å; F81-K83 PolarHBondContact O-N 2.93Å; F81-E84 PolarHBondContact O-N 2.8Å; F81-E84 VanDerWaalsContact O-N 3.17Å; F81-H85 PolarHBondContact O-N 3.09Å; F81-W157 HydrophobicContact CB-CE3 4.45Å; F81-A160 HydrophobicContact CB-CB 4.39Å; F81-A160 HydrophobicContact CD1-CB 4.06Å; F81-A160 HydrophobicContact CD2-CB 3.62Å; F81-A160 HydrophobicContact CE1-CB 4.21Å; F81-A160 HydrophobicContact CE2-CB 3.77Å; F81-A160 WeakPolarHBondContact CE2-O 3.3Å; F81-A160 HydrophobicContact CG-CB 3.78Å; F81-A160 HydrophobicContact CZ-CB 4.07Å; F81-L161 HydrophobicContact CD2-CD2 4.03Å; F81-L161 HydrophobicContact CE2-CD2 4.22Å; F81-V164 HydrophobicContact CE2-CG2 4.02Å; F81-V164 HydrophobicContact CZ-CG2 4.24Å
82Q91.4Very high89.1Confident23 Ų2373 Ų7311%0.10736%0.358CS..Hα-helixtrans-71.1-25.6179.8-17856-26.500113.3A78 V80 E84 H85 W157 L458A78-Q82 WeakPolarHBondContact O-CB 3.35Å; A78-Q82 PolarHBondContact O-N 2.7Å; V80-Q82 PolarHBondContact O-N 2.6Å; Q82-E84 VanDerWaalsContact C-N 3.34Å; Q82-H85 PolarHBondContact OE1-CD2 3.41Å; Q82-W157 HydrophobicContact CB-CD2 3.96Å; Q82-W157 HydrophobicContact CB-CE3 3.87Å; Q82-W157 HydrophobicContact CB-CH2 4.39Å; Q82-W157 HydrophobicContact CB-CZ2 4.47Å; Q82-W157 HydrophobicContact CB-CZ3 4.09Å; Q82-W157 HydrophobicContact CG-CD2 4.29Å; Q82-W157 HydrophobicContact CG-CZ2 4.49Å; Q82-L458 HydrophobicContact CB-CD1 3.61Å; Q82-L458 HydrophobicContact CG-CD1 3.56Å; Q82-L458 HydrophobicContact CG-CD2 3.7Å; Q82-L458 HydrophobicContact CG-CG 4.29Å
83K89.5Confident87.4Confident135 Ų13575.2 Ų75.259%0.58737%0.373SS*.Hα-helixtrans-72.3-30.1173.5-179.2-175.5171.8-163.30112.3E79 V80 F81 R441E79-K83 VanDerWaalsContact O-CB 3.23Å; E79-K83 WeakPolarHBondContact O-CB 3.26Å; E79-K83 PolarHBondContact O-N 3Å; V80-K83 WeakPolarHBondContact O-CB 3.48Å; V80-K83 PolarHBondContact O-N 3.18Å; V80-K83 VanDerWaalsContact O-N 3.14Å; F81-K83 VanDerWaalsContact C-N 3.28Å; F81-K83 PolarHBondContact O-N 2.93Å; K83-R441 HydrophobicContact CD-CB 4.48Å
84E90.3Very high85.7Confident150 Ų15075.5 Ų75.570%0.70138%0.379SS*.Hα-helixtrans-84.7-19.1177.6-69.3177.7177.300112.6V80 F81 Q82V80-E84 WeakPolarHBondContact O-CG 3.22Å; V80-E84 PolarHBondContact O-N 3.19Å; F81-E84 PolarHBondContact O-N 2.8Å; F81-E84 VanDerWaalsContact O-N 3.17Å; Q82-E84 VanDerWaalsContact C-N 3.34Å
85H89.1Confident84.5Confident44 Ų4479.9 Ų79.920%0.20440%0.4CS..  trans-63.6139.2178.4-174.252.9000112.6F81 Q82 N153 W157F81-H85 PolarHBondContact O-N 3.09Å; Q82-H85 PolarHBondContact OE1-CD2 3.41Å; H85-N153 PolarHBondContact NE2-OD1 2.78Å; H85-N153 VanDerWaalsContact NE2-OD1 3.12Å; H85-W157 HydrophobicContact CB-CB 3.89Å
86A86.9Confident83.7Confident72 Ų7280.8 Ų80.860%0.59540%0.404SS*.  trans-106.9121.3173.700000109.3K88A86-K88 PolarHBondContact O-N 2.77Å
87W85.6Confident83.2Confident132 Ų13280.1 Ų80.150%0.541%0.406SS..  trans-61.7127.7178.2-176.7-88.9000111.4D89 T149 I150 N153W87-D89 PolarHBondContact NE1-OD1 3.11Å; W87-T149 HydrophobicContact CZ2-CG2 4.13Å; W87-I150 HydrophobicContact CH2-CB 4.34Å; W87-I150 HydrophobicContact CH2-CD1 3.6Å; W87-I150 HydrophobicContact CZ3-CD1 3.91Å; W87-N153 HydrophobicContact CE3-CB 3.93Å; W87-N153 HydrophobicContact CH2-CB 4.24Å; W87-N153 HydrophobicContact CZ3-CB 3.71Å
88K86.6Confident82.8Confident85 Ų8580.6 Ų80.637%0.3740%0.404SS..  trans-114.1132.8172.6-64.8-171.2-176.7-175.80110A86 F91 E95 T149 N153A86-K88 PolarHBondContact O-N 2.77Å; K88-F91 HydrophobicContact CB-CE1 4.11Å; K88-F91 HydrophobicContact CB-CE2 4.26Å; K88-F91 HydrophobicContact CB-CZ 3.87Å; K88-F91 HydrophobicContact CD-CD1 4.39Å; K88-F91 HydrophobicContact CD-CE1 3.98Å; K88-E95 IonicContact NZ-OE1 3.52Å; K88-E95 PolarHBondContact NZ-OE1 3.35Å; K88-E95 IonicContact NZ-OE2 3.69Å; K88-E95 PolarHBondContact NZ-OE2 3.18Å; K88-T149 WeakPolarHBondContact O-CG2 3.49Å; K88-N153 PolarHBondContact N-OD1 3Å; K88-N153 PolarHBondContact O-ND2 2.81Å
89D82.3Confident82.5Confident118 Ų11880.7 Ų80.763%0.63140%0.404SS*.SBendtrans-84.9-29179.1-68.6-43.7000113.2W87 T149W87-D89 PolarHBondContact NE1-OD1 3.11Å; D89-T149 VanDerWaalsContact O-CG2 3.27Å; D89-T149 WeakPolarHBondContact O-CG2 3.28Å
90E78.3Confident82.2Confident177 Ų17781 Ų8183%0.82741%0.406SS*.  trans-123.7131.8179.8-65.6-178179.200109.6
91F76.9Confident81.7Confident33 Ų3377.9 Ų77.915%0.14539%0.387CS..  trans-116.4135.6171.9-69-84.5000108.1K88 I96 T149 L152 N153K88-F91 HydrophobicContact CB-CE1 4.11Å; K88-F91 HydrophobicContact CB-CE2 4.26Å; K88-F91 HydrophobicContact CB-CZ 3.87Å; K88-F91 HydrophobicContact CD-CD1 4.39Å; K88-F91 HydrophobicContact CD-CE1 3.98Å; F91-I96 HydrophobicContact CD1-CD1 3.7Å; F91-I96 HydrophobicContact CD1-CG1 4.22Å; F91-I96 HydrophobicContact CE1-CD1 3.76Å; F91-I96 HydrophobicContact CE1-CG1 4.46Å; F91-I96 HydrophobicContact CG-CD1 4.22Å; F91-I96 HydrophobicContact CZ-CD1 4.33Å; F91-T149 HydrophobicContact CE2-CG2 4.49Å; F91-L152 HydrophobicContact CB-CD1 4.13Å; F91-L152 HydrophobicContact CD2-CB 3.56Å; F91-L152 HydrophobicContact CD2-CD1 3.74Å; F91-L152 HydrophobicContact CD2-CG 4.31Å; F91-L152 HydrophobicContact CE2-CB 3.55Å; F91-L152 HydrophobicContact CG-CB 4.22Å; F91-L152 HydrophobicContact CG-CD1 4.19Å; F91-L152 HydrophobicContact CZ-CB 4.21Å; F91-N153 WeakPolarHBondContact CE2-ND2 3.31Å; F91-N153 HydrophobicContact CZ-CB 4.42Å
92E70.4Confident81Confident146 Ų14678.3 Ų78.368%0.68239%0.389SS*.  trans-74.5148.8165.5-60.5-173.3168.700109.1D94 E95E92-D94 PolarHBondContact O-N 3.06Å; E92-E95 HydrophobicContact CB-CG 4.29Å; E92-E95 PolarHBondContact O-N 3.3Å; E92-E95 VanDerWaalsContact O-N 3.1Å
93D59.1Low80.1Confident147 Ų14779.2 Ų79.279%0.78640%0.395SS*.THydrogen-bonded Turntrans-56.4-15-176.1-73.2-32.3000113.9Y115D93-Y115 WeakPolarHBondContact O-CD2 3.16Å
94D58.8Low79.1Confident107 Ų10777.5 Ų77.557%0.57239%0.392SS*.THydrogen-bonded Turntrans-102.8-3.5-175.1-62.7-2.4000114.1E92 Y115E92-D94 PolarHBondContact O-N 3.06Å; D94-Y115 VanDerWaalsContact OD1-CE1 3.27Å; D94-Y115 WeakPolarHBondContact OD1-CE1 3.15Å; D94-Y115 VanDerWaalsContact OD1-CE2 3.31Å; D94-Y115 WeakPolarHBondContact OD1-CE2 3.43Å; D94-Y115 PolarHBondContact OD1-OH 2.93Å
95E69.4Low77.9Confident92 Ų9273.2 Ų73.243%0.4337%0.374SS..SBendtrans-81.2-23.2-170.5-78.1-160.7164.600115.4K88 E92K88-E95 IonicContact NZ-OE1 3.52Å; K88-E95 PolarHBondContact NZ-OE1 3.35Å; K88-E95 IonicContact NZ-OE2 3.69Å; K88-E95 PolarHBondContact NZ-OE2 3.18Å; E92-E95 HydrophobicContact CB-CG 4.29Å; E92-E95 PolarHBondContact O-N 3.3Å; E92-E95 VanDerWaalsContact O-N 3.1Å
96I79.2Confident76.5Confident21 Ų2177.9 Ų77.911%0.10840%0.4CS..  trans-126112.6-171.5-54.7176.7000111.1F91 Y98 L152 L155 N156F91-I96 HydrophobicContact CD1-CD1 3.7Å; F91-I96 HydrophobicContact CD1-CG1 4.22Å; F91-I96 HydrophobicContact CE1-CD1 3.76Å; F91-I96 HydrophobicContact CE1-CG1 4.46Å; F91-I96 HydrophobicContact CG-CD1 4.22Å; F91-I96 HydrophobicContact CZ-CD1 4.33Å; I96-Y98 HydrophobicContact CG2-CD1 4.11Å; I96-L152 HydrophobicContact CD1-CB 3.96Å; I96-L152 HydrophobicContact CD1-CD2 4.21Å; I96-L152 VanDerWaalsContact CD1-O 3.32Å; I96-L152 WeakPolarHBondContact CD1-O 2.98Å; I96-L155 HydrophobicContact CG2-CB 4.09Å; I96-N156 HydrophobicContact CD1-CB 4.21Å
97A83.7Confident75Confident55 Ų5576.2 Ų76.246%0.45539%0.386SS..  trans-102.1121.8175.200000110.8I117A97-I117 HydrophobicContact CB-CD1 4.49Å; A97-I117 HydrophobicContact CB-CG1 4.36Å
98Y87Confident73.3Confident27 Ų2776.4 Ų76.411%0.10640%0.397CS..BIsolated β-bridgetrans-147.9161.7175.570.1-79.9000111.8I96 N100 I117 V138 I140 L155I96-Y98 HydrophobicContact CG2-CD1 4.11Å; Y98-N100 HydrophobicContact CD2-CB 4.47Å; Y98-N100 HydrophobicContact CE2-CB 3.9Å; Y98-I117 PolarHBondContact O-N 3.33Å; Y98-I117 VanDerWaalsContact O-N 3.11Å; Y98-V138 HydrophobicContact CD2-CB 4Å; Y98-V138 HydrophobicContact CD2-CG2 3.93Å; Y98-V138 HydrophobicContact CE2-CB 4.46Å; Y98-I140 HydrophobicContact CE2-CD1 4.42Å; Y98-L155 HydrophobicContact CD1-CD1 4.06Å; Y98-L155 HydrophobicContact CD1-CD2 4.39Å; Y98-L155 HydrophobicContact CD2-CD2 4.04Å; Y98-L155 HydrophobicContact CE1-CD1 3.65Å; Y98-L155 HydrophobicContact CE2-CD1 4.36Å; Y98-L155 HydrophobicContact CE2-CD2 4.23Å; Y98-L155 HydrophobicContact CG-CD2 4.13Å
99Y88.4Confident71.6Confident2 Ų280.2 Ų80.21%0.00842%0.416CS..EExtended strand (participates in β ladder)trans-94.9118.1170.5174.3-122.8000110.5L105 I117 P119 F121 A137 V138 A192 P194Y99-L105 HydrophobicContact CE2-CD2 4.1Å; Y99-I117 VanDerWaalsContact CD2-O 3.3Å; Y99-I117 WeakPolarHBondContact CD2-O 3.41Å; Y99-P119 HydrophobicContact CD1-CG 3.96Å; Y99-P119 HydrophobicContact CD2-CG 3.84Å; Y99-P119 HydrophobicContact CE1-CG 4.04Å; Y99-P119 HydrophobicContact CE2-CG 3.93Å; Y99-P119 HydrophobicContact CG-CG 3.87Å; Y99-F121 AromaticContact CE1-CZ 3.78Å; Y99-F121 HydrophobicContact CE1-CZ 3.78Å; Y99-F121 AromaticContact CZ-CZ 3.67Å; Y99-F121 WeakPolarHBondContact OH-CZ 3.39Å; Y99-A137 HydrophobicContact CD1-CB 3.7Å; Y99-A137 HydrophobicContact CE1-CB 3.94Å; Y99-V138 PolarHBondContact O-N 2.94Å; Y99-A192 HydrophobicContact CD1-CB 3.95Å; Y99-A192 HydrophobicContact CE1-CB 4.33Å; Y99-P194 WeakPolarHBondContact OH-CA 3.41Å
100N86.6Confident69.9Low10 Ų1080.6 Ų80.65%0.05342%0.423CS..EExtended strand (participates in β ladder)trans-87.9119.7171.2-172.4-21.7000109.6Y98 K102 D103 R116Y98-N100 HydrophobicContact CD2-CB 4.47Å; Y98-N100 HydrophobicContact CE2-CB 3.9Å; N100-K102 PolarHBondContact O-N 3.02Å; N100-K102 PolarHBondContact OD1-N 3.14Å; N100-K102 VanDerWaalsContact OD1-N 3.08Å; N100-D103 WeakPolarHBondContact O-CB 3.11Å; N100-D103 PolarHBondContact O-N 3.14Å; N100-R116 PolarHBondContact ND2-NH2 3.25Å
101S82.9Confident68.4Low2 Ų280 Ų801%0.01442%0.42CS..THydrogen-bonded Turntrans-62-22.7-177.258.70000114.9V138 Y189 W195S101-V138 WeakPolarHBondContact CB-O 3.49Å; S101-V138 PolarHBondContact N-O 2.94Å; S101-V138 PolarHBondContact OG-O 2.91Å; S101-Y189 WeakPolarHBondContact CB-OH 3.14Å; S101-W195 WeakPolarHBondContact O-CB 3.37Å; S101-W195 PolarHBondContact O-N 2.89Å
102K78.4Confident66.9Low67 Ų6782.1 Ų82.129%0.29145%0.451SS..THydrogen-bonded Turntrans-86.6-6.1-178.5-66.1-178175.7-176.10114N100 H139 I140 T142 W195 D206N100-K102 PolarHBondContact O-N 3.02Å; N100-K102 PolarHBondContact OD1-N 3.14Å; N100-K102 VanDerWaalsContact OD1-N 3.08Å; K102-H139 WeakPolarHBondContact CE-NE2 3.26Å; K102-I140 VanDerWaalsContact CE-O 3.28Å; K102-I140 WeakPolarHBondContact CE-O 3.43Å; K102-I140 PolarHBondContact NZ-O 3.23Å; K102-T142 PolarHBondContact NZ-OG1 3.14Å; K102-T142 VanDerWaalsContact NZ-OG1 3.16Å; K102-W195 HydrophobicContact CG-CB 4.36Å; K102-D206 WeakPolarHBondContact CE-OD2 3.45Å; K102-D206 IonicContact NZ-OD2 3.46Å; K102-D206 PolarHBondContact NZ-OD2 3.19Å
103D73.3Confident66.1Low42 Ų4281.9 Ų81.923%0.22544%0.444CS..  trans-75.3140.7-172.7-75.6-1.1000113.2N100 L105 R116N100-D103 WeakPolarHBondContact O-CB 3.11Å; N100-D103 PolarHBondContact O-N 3.14Å; D103-L105 PolarHBondContact O-N 3Å; D103-R116 IonicContact OD1-CZ 2.92Å; D103-R116 IonicContact OD1-NH1 3.03Å; D103-R116 PolarHBondContact OD1-NH1 3.2Å; D103-R116 IonicContact OD1-NH2 3.73Å; D103-R116 WeakPolarHBondContact OD2-CD 3.18Å; D103-R116 IonicContact OD2-CZ 3.85Å; D103-R116 IonicContact OD2-NE 3.82Å; D103-R116 PolarHBondContact OD2-NE 2.88Å; D103-R116 IonicContact OD2-NH1 3.12Å; D103-R116 PolarHBondContact OD2-NH1 3.38Å
104N67.9Low65.6Low98 Ų9883.7 Ų83.752%0.52445%0.445SS..  trans-81.7113.6170.5-167.9-0.4000110.1D106N104-D106 VanDerWaalsContact C-N 3.26Å; N104-D106 PolarHBondContact O-N 3.36Å; N104-D106 PolarHBondContact OD1-N 2.88Å; N104-D106 VanDerWaalsContact OD1-N 3.16Å
105L65.4Low65.8Low61 Ų6184.1 Ų84.132%0.31944%0.439SS..THydrogen-bonded Turntrans-75.4-17.2-178.8-61.5157.7000112.7Y99 D103 R118 F121Y99-L105 HydrophobicContact CE2-CD2 4.1Å; D103-L105 PolarHBondContact O-N 3Å; L105-R118 HydrophobicContact CD2-CG 4.44Å; L105-F121 HydrophobicContact CD1-CD2 3.82Å; L105-F121 HydrophobicContact CD1-CE2 3.35Å; L105-F121 HydrophobicContact CD1-CZ 4.46Å
106D59.6Low66Low141 Ų14182.2 Ų82.275%0.75443%0.428SS*.THydrogen-bonded Turntrans-86.4-5.5-178.9-64.4-29.8000113.2N104N104-D106 VanDerWaalsContact C-N 3.26Å; N104-D106 PolarHBondContact O-N 3.36Å; N104-D106 PolarHBondContact OD1-N 2.88Å; N104-D106 VanDerWaalsContact OD1-N 3.16Å
107A55.9Low65.8Low38 Ų3883.3 Ų83.331%0.31443%0.434SS..SBendtrans-73.6127.8177.800000111.2
108N49.6Very low65.5Low135 Ų13587.9 Ų87.972%0.72244%0.439SS*.  trans-52.9147.7174.5-85.4-18.8000111.1T110N108-T110 PolarHBondContact O-N 3.27Å
109E51.3Low65.2Low166 Ų16687.2 Ų87.278%0.77644%0.438SS*.THydrogen-bonded Turntrans-50.5-6.5-178.5-63.1-179.8159.700116.1
110T46Very low65Low125 Ų12592.6 Ų92.677%0.76747%0.467SS*.THydrogen-bonded Turntrans-81.5-12.5-171.438.10000115.4N108 G112N108-T110 PolarHBondContact O-N 3.27Å; T110-G112 PolarHBondContact O-N 3.03Å
111E46.6Very low65Low165 Ų16593.9 Ų93.977%0.77147%0.472SS*.SBendtrans-94.166.9174.7-72.3-170.8172.100112.5R113E111-R113 VanDerWaalsContact C-N 3.31Å; E111-R113 PolarHBondContact O-N 3.44Å
112G45.5Very low65.3Low77 Ų77100.5 Ų100.579%0.79450%0.501SS*.SBendtrans60.6-2.3142.900000122.3T110T110-G112 PolarHBondContact O-N 3.03Å
113R54.4Low65.5Low141 Ų141105.2 Ų105.253%0.53252%0.524SS..  trans-123.975.9179.9-62.8-176.1-175.7-156.5-4111.2E111 Y115 D146E111-R113 VanDerWaalsContact C-N 3.31Å; E111-R113 PolarHBondContact O-N 3.44Å; R113-Y115 PolarHBondContact O-N 2.81Å; R113-Y115 VanDerWaalsContact O-N 3.16Å; R113-D146 IonicContact CZ-OD2 2.71Å; R113-D146 IonicContact NH1-OD2 3.24Å; R113-D146 PolarHBondContact NH1-OD2 3.39Å
114K48.8Very low66Low185 Ų185104.1 Ų104.180%0.80452%0.518SS*.THydrogen-bonded Turntrans-63.7-12.3-174.6-95.8179.3174.3178.30116
115Y62.5Low66.6Low117 Ų117104.9 Ų104.946%0.45953%0.528SS..THydrogen-bonded Turntrans-115.523.9-161.2-49.8-67.7000115D93 D94 R113D93-Y115 WeakPolarHBondContact O-CD2 3.16Å; D94-Y115 VanDerWaalsContact OD1-CE1 3.27Å; D94-Y115 WeakPolarHBondContact OD1-CE1 3.15Å; D94-Y115 VanDerWaalsContact OD1-CE2 3.31Å; D94-Y115 WeakPolarHBondContact OD1-CE2 3.43Å; D94-Y115 PolarHBondContact OD1-OH 2.93Å; R113-Y115 PolarHBondContact O-N 2.81Å; R113-Y115 VanDerWaalsContact O-N 3.16Å
116R72.2Confident67.4Low52 Ų52104.8 Ų104.820%0.19653%0.533CS..BIsolated β-bridgetrans-100.6134.4179.4-63.5-166.6168.9172.5-26.3111.1N100 D103 R118 D146N100-R116 PolarHBondContact ND2-NH2 3.25Å; D103-R116 IonicContact OD1-CZ 2.92Å; D103-R116 IonicContact OD1-NH1 3.03Å; D103-R116 PolarHBondContact OD1-NH1 3.2Å; D103-R116 IonicContact OD1-NH2 3.73Å; D103-R116 WeakPolarHBondContact OD2-CD 3.18Å; D103-R116 IonicContact OD2-CZ 3.85Å; D103-R116 IonicContact OD2-NE 3.82Å; D103-R116 PolarHBondContact OD2-NE 2.88Å; D103-R116 IonicContact OD2-NH1 3.12Å; D103-R116 PolarHBondContact OD2-NH1 3.38Å; R116-R118 PolarHBondContact O-N 3.09Å; R116-D146 IonicContact NH2-OD2 2.65Å; R116-D146 PolarHBondContact NH2-OD2 3.05Å
117I76.4Confident68.6Low44 Ų4498.1 Ų98.123%0.22650%0.497CS..  trans-64.9132.9178.4-60.1175000108.3A97 Y98 Y99 P119A97-I117 HydrophobicContact CB-CD1 4.49Å; A97-I117 HydrophobicContact CB-CG1 4.36Å; Y98-I117 PolarHBondContact O-N 3.33Å; Y98-I117 VanDerWaalsContact O-N 3.11Å; Y99-I117 VanDerWaalsContact CD2-O 3.3Å; Y99-I117 WeakPolarHBondContact CD2-O 3.41Å; I117-P119 WeakPolarHBondContact O-CD 3.49Å
118R76.3Confident69.9Low151 Ų151102.6 Ų102.657%0.5751%0.509SS*.  trans-10692172.2-72.1-175.7175.9177.5-5.9109L105 R116L105-R118 HydrophobicContact CD2-CG 4.44Å; R116-R118 PolarHBondContact O-N 3.09Å
119P82Confident71.5Confident12 Ų1297.4 Ų97.48%0.07848%0.48CS..  trans-66.4150.8177.524.9-33.7000112.5Y99 I117 F121 D132Y99-P119 HydrophobicContact CD1-CG 3.96Å; Y99-P119 HydrophobicContact CD2-CG 3.84Å; Y99-P119 HydrophobicContact CE1-CG 4.04Å; Y99-P119 HydrophobicContact CE2-CG 3.93Å; Y99-P119 HydrophobicContact CG-CG 3.87Å; I117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-F121 HydrophobicContact CB-CE1 4.32Å; P119-F121 HydrophobicContact CB-CE2 4.31Å; P119-F121 HydrophobicContact CB-CZ 4.05Å; P119-F121 HydrophobicContact CG-CD2 4.46Å; P119-F121 HydrophobicContact CG-CE1 4.03Å; P119-F121 HydrophobicContact CG-CE2 3.55Å; P119-F121 HydrophobicContact CG-CZ 3.31Å; P119-D132 HydrophobicContact CB-CB 3.64Å; P119-D132 WeakPolarHBondContact CB-OD2 3.43Å
120D84.3Confident73.3Confident116 Ų11691.5 Ų91.562%0.6245%0.453SS*.  trans-94.599.3175.6-176.727.9000109.9
121F86.1Confident75.3Confident37 Ų3785.7 Ų85.716%0.16242%0.417CS..  trans-78130.1-172.2-73.6-62.5000113.3Y99 L105 P119 L130 D132 A192Y99-F121 AromaticContact CE1-CZ 3.78Å; Y99-F121 HydrophobicContact CE1-CZ 3.78Å; Y99-F121 AromaticContact CZ-CZ 3.67Å; Y99-F121 WeakPolarHBondContact OH-CZ 3.39Å; L105-F121 HydrophobicContact CD1-CD2 3.82Å; L105-F121 HydrophobicContact CD1-CE2 3.35Å; L105-F121 HydrophobicContact CD1-CZ 4.46Å; P119-F121 HydrophobicContact CB-CE1 4.32Å; P119-F121 HydrophobicContact CB-CE2 4.31Å; P119-F121 HydrophobicContact CB-CZ 4.05Å; P119-F121 HydrophobicContact CG-CD2 4.46Å; P119-F121 HydrophobicContact CG-CE1 4.03Å; P119-F121 HydrophobicContact CG-CE2 3.55Å; P119-F121 HydrophobicContact CG-CZ 3.31Å; F121-L130 HydrophobicContact CB-CB 4.01Å; F121-L130 HydrophobicContact CB-CD1 4.48Å; F121-L130 HydrophobicContact CB-CD2 4.44Å; F121-L130 HydrophobicContact CD1-CB 4.41Å; F121-L130 HydrophobicContact CG-CB 4.34Å; F121-D132 HydrophobicContact CD1-CB 4.17Å; F121-D132 HydrophobicContact CE1-CB 4.18Å; F121-A192 WeakPolarHBondContact CE1-O 3.46Å
122K87.9Confident77.5Confident141 Ų14178.3 Ų78.361%0.61338%0.383SS*.EExtended strand (participates in β ladder)trans-118.4147.6173.1-64.3176.5-174.4170.20110.3D124 L130 T131K122-D124 PolarHBondContact O-N 3.26Å; K122-L130 CarbonylContact O-C 3.55Å; K122-L130 WeakPolarHBondContact O-CA 3.15Å; K122-T131 PolarHBondContact N-O 3.49Å; K122-T131 PolarHBondContact O-N 3.18Å
123E83.6Confident79.6Confident165 Ų16577.6 Ų77.677%0.77136%0.359SS*.EExtended strand (participates in β ladder)trans-72.2119.5175.9-167.1174.9-179.400110L130E123-L130 HydrophobicContact CB-CD2 4.26Å
124D83.3Confident81.3Confident20 Ų2076 Ų7611%0.10736%0.361CS..EExtended strand (participates in β ladder)trans-108.2117.6178.4-167-36.5000110.1K122 S126 F127 K128 R129 T131 H133K122-D124 PolarHBondContact O-N 3.26Å; D124-S126 PolarHBondContact O-N 3.16Å; D124-S126 VanDerWaalsContact OD1-CB 3.24Å; D124-S126 WeakPolarHBondContact OD1-CB 3.45Å; D124-S126 PolarHBondContact OD1-N 3.49Å; D124-S126 PolarHBondContact OD1-OG 2.93Å; D124-F127 HydrophobicContact CB-CD2 4.22Å; D124-F127 PolarHBondContact O-N 2.95Å; D124-K128 PolarHBondContact O-N 3.03Å; D124-R129 PolarHBondContact N-O 3.07Å; D124-R129 PolarHBondContact O-N 3.11Å; D124-T131 HydrophobicContact CB-CG2 4.33Å; D124-T131 VanDerWaalsContact CB-OG1 3.27Å; D124-T131 WeakPolarHBondContact CB-OG1 3.42Å; D124-H133 IonicContact OD2-CE1 3.16Å; D124-H133 PolarHBondContact OD2-CE1 3.5Å; D124-H133 IonicContact OD2-NE2 3.42Å; D124-H133 PolarHBondContact OD2-NE2 3.03Å
125P81.6Confident83.3Confident114 Ų11469.8 Ų69.874%0.7434%0.335SS*.THydrogen-bonded Turntrans-59-30.1177.2-24.233.7000114
126S82.8Confident84.7Confident59 Ų5964.6 Ų64.641%0.41332%0.316SS..THydrogen-bonded Turntrans-69.1-37.2-177.4-36.30000111.3D124D124-S126 PolarHBondContact O-N 3.16Å; D124-S126 VanDerWaalsContact OD1-CB 3.24Å; D124-S126 WeakPolarHBondContact OD1-CB 3.45Å; D124-S126 PolarHBondContact OD1-N 3.49Å; D124-S126 PolarHBondContact OD1-OG 2.93Å
127F83.4Confident85.7Confident0 Ų062.1 Ų62.10%031%0.306CS..THydrogen-bonded Turntrans-100.4-4-178.1-65-88.6000113.4D124 R129 T131 L176 W177 P191D124-F127 HydrophobicContact CB-CD2 4.22Å; D124-F127 PolarHBondContact O-N 2.95Å; F127-R129 HydrophobicContact CB-CG 3.81Å; F127-R129 WeakPolarHBondContact O-CG 3.49Å; F127-R129 PolarHBondContact O-N 2.85Å; F127-R129 VanDerWaalsContact O-N 3.16Å; F127-R129 PolarHBondContact O-NE 2.82Å; F127-R129 VanDerWaalsContact O-NE 3.12Å; F127-T131 HydrophobicContact CB-CG2 3.93Å; F127-T131 HydrophobicContact CD2-CG2 4.24Å; F127-T131 HydrophobicContact CG-CG2 4.11Å; F127-L176 HydrophobicContact CE1-CB 4.3Å; F127-L176 HydrophobicContact CE1-CD2 4.27Å; F127-W177 HydrophobicContact CB-CZ2 4.4Å; F127-W177 AromaticContact CD1-CD2 3.9Å; F127-W177 HydrophobicContact CD1-CD2 3.9Å; F127-W177 AromaticContact CD1-CE2 3.56Å; F127-W177 HydrophobicContact CD1-CE3 4.12Å; F127-W177 AromaticContact CD1-CH2 3.72Å; F127-W177 HydrophobicContact CD1-CH2 3.72Å; F127-W177 AromaticContact CD1-CZ2 3.48Å; F127-W177 HydrophobicContact CD1-CZ2 3.48Å; F127-W177 VanDerWaalsContact CD1-CZ2 3.48Å; F127-W177 HydrophobicContact CD1-CZ3 4.03Å; F127-W177 AromaticContact CE1-CD2 3.69Å; F127-W177 HydrophobicContact CE1-CD2 3.69Å; F127-W177 AromaticContact CE1-CE2 3.88Å; F127-W177 AromaticContact CE1-CE3 3.78Å; F127-W177 HydrophobicContact CE1-CE3 3.78Å; F127-W177 HydrophobicContact CE1-CG 4.24Å; F127-W177 HydrophobicContact CE1-CH2 4.19Å; F127-W177 HydrophobicContact CE1-CZ2 4.13Å; F127-W177 HydrophobicContact CE1-CZ3 4.01Å; F127-W177 HydrophobicContact CG-CH2 4.35Å; F127-W177 HydrophobicContact CG-CZ2 4.3Å; F127-P191 HydrophobicContact CD2-CG 4.44Å; F127-P191 HydrophobicContact CE1-CG 4.37Å; F127-P191 HydrophobicContact CE2-CG 3.97Å; F127-P191 HydrophobicContact CZ-CG 3.92Å
128K82.6Confident86.5Confident132 Ų13260 Ų6057%0.57430%0.295SS*.THydrogen-bonded Turntrans5332.2-178.4-56.6171.2-173.7164.20112.6D124 D468D124-K128 PolarHBondContact O-N 3.03Å; K128-D468 IonicContact NZ-OD2 2.96Å
129R85.1Confident87.2Confident27 Ų2752.9 Ų52.910%0.10227%0.268CS..EExtended strand (participates in β ladder)trans-158.4178.7-173.473.7-174.857.3-118.7-40.5113D124 F127 T131 S193 L426D124-R129 PolarHBondContact N-O 3.07Å; D124-R129 PolarHBondContact O-N 3.11Å; F127-R129 HydrophobicContact CB-CG 3.81Å; F127-R129 WeakPolarHBondContact O-CG 3.49Å; F127-R129 PolarHBondContact O-N 2.85Å; F127-R129 VanDerWaalsContact O-N 3.16Å; F127-R129 PolarHBondContact O-NE 2.82Å; F127-R129 VanDerWaalsContact O-NE 3.12Å; R129-T131 HydrophobicContact CG-CG2 3.73Å; R129-S193 WeakPolarHBondContact CD-OG 3.35Å; R129-L426 PolarHBondContact NH1-O 2.83Å; R129-L426 PolarHBondContact NH2-O 3.1Å
130L87.3Confident87.5Confident42 Ų4252.7 Ų52.722%0.2227%0.267CS..EExtended strand (participates in β ladder)trans-75.8122.6170.1-69.5-178.4000112F121 K122 E123 S193F121-L130 HydrophobicContact CB-CB 4.01Å; F121-L130 HydrophobicContact CB-CD1 4.48Å; F121-L130 HydrophobicContact CB-CD2 4.44Å; F121-L130 HydrophobicContact CD1-CB 4.41Å; F121-L130 HydrophobicContact CG-CB 4.34Å; K122-L130 CarbonylContact O-C 3.55Å; K122-L130 WeakPolarHBondContact O-CA 3.15Å; E123-L130 HydrophobicContact CB-CD2 4.26Å; L130-S193 WeakPolarHBondContact O-CB 3.41Å; L130-S193 PolarHBondContact O-OG 2.85Å
131T89.7Confident87.6Confident2 Ų247.2 Ų47.21%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-136.2150.6178.960.90000111.9K122 D124 F127 R129 W177 P191 A192K122-T131 PolarHBondContact N-O 3.49Å; K122-T131 PolarHBondContact O-N 3.18Å; D124-T131 HydrophobicContact CB-CG2 4.33Å; D124-T131 VanDerWaalsContact CB-OG1 3.27Å; D124-T131 WeakPolarHBondContact CB-OG1 3.42Å; F127-T131 HydrophobicContact CB-CG2 3.93Å; F127-T131 HydrophobicContact CD2-CG2 4.24Å; F127-T131 HydrophobicContact CG-CG2 4.11Å; R129-T131 HydrophobicContact CG-CG2 3.73Å; T131-W177 HydrophobicContact CG2-CH2 4.2Å; T131-P191 HydrophobicContact CG2-CG 4.08Å; T131-A192 CarbonylContact C-O 3.58Å; T131-A192 VanDerWaalsContact CA-O 3.25Å; T131-A192 WeakPolarHBondContact CA-O 3.47Å
132D91.7Very high87.3Confident10 Ų1049.6 Ų49.65%0.05326%0.255CS..BIsolated β-bridgetrans-119.5122.6167.5177.922.9000110P119 F121 N134 H135 P191 A192P119-D132 HydrophobicContact CB-CB 3.64Å; P119-D132 WeakPolarHBondContact CB-OD2 3.43Å; F121-D132 HydrophobicContact CD1-CB 4.17Å; F121-D132 HydrophobicContact CE1-CB 4.18Å; D132-N134 VanDerWaalsContact C-N 3.34Å; D132-N134 WeakPolarHBondContact OD1-CB 3.22Å; D132-N134 PolarHBondContact OD1-N 3.27Å; D132-H135 IonicContact OD2-CE1 3.19Å; D132-H135 IonicContact OD2-CG 2.78Å; D132-H135 IonicContact OD2-ND1 3.02Å; D132-H135 PolarHBondContact OD2-ND1 3.23Å; D132-P191 VanDerWaalsContact O-CB 3.28Å; D132-P191 WeakPolarHBondContact O-CB 3.49Å; D132-A192 HydrophobicContact CB-CB 4.3Å; D132-A192 PolarHBondContact N-O 3.28Å; D132-A192 PolarHBondContact O-N 2.88Å
133H89.9Confident86.8Confident63 Ų6346 Ų4629%0.29224%0.243SC..SBendtrans-85.9-6-179.6-67-79.3000112.6D124 Y190D124-H133 IonicContact OD2-CE1 3.16Å; D124-H133 PolarHBondContact OD2-CE1 3.5Å; D124-H133 IonicContact OD2-NE2 3.42Å; D124-H133 PolarHBondContact OD2-NE2 3.03Å; H133-Y190 WeakPolarHBondContact O-CE2 3.29Å; H133-Y190 PolarHBondContact O-OH 3.47Å
134N90.4Very high86.8Confident108 Ų10840 Ų4058%0.57822%0.216SC*.SBendtrans-84.4-23.4179.9-73.1-17.3000113.6D132 K166D132-N134 VanDerWaalsContact C-N 3.34Å; D132-N134 WeakPolarHBondContact OD1-CB 3.22Å; D132-N134 PolarHBondContact OD1-N 3.27Å; N134-K166 WeakPolarHBondContact O-CE 3.35Å; N134-K166 PolarHBondContact O-NZ 3.38Å
135H90.2Very high86.8Confident53 Ų5346.7 Ų46.725%0.24524%0.241CC..SBendtrans-133.3163.7-173.3-56.497000111.6D132 A192D132-H135 IonicContact OD2-CE1 3.19Å; D132-H135 IonicContact OD2-CG 2.78Å; D132-H135 IonicContact OD2-ND1 3.02Å; D132-H135 PolarHBondContact OD2-ND1 3.23Å; H135-A192 HydrophobicContact CB-CB 4.4Å; H135-A192 VanDerWaalsContact O-CB 3.25Å; H135-A192 WeakPolarHBondContact O-CB 3.34Å; H135-A192 PolarHBondContact O-N 3.44Å; H135-A192 VanDerWaalsContact O-N 3.09Å
136T92.9Very high86.6Confident9 Ų942.6 Ų42.66%0.05521%0.212CC..  trans-93.6151.916756.50000111.6E162 F165 Y190T136-E162 HydrophobicContact CG2-CB 3.89Å; T136-E162 HydrophobicContact CG2-CG 3.88Å; T136-E162 PolarHBondContact N-OE2 3.05Å; T136-E162 VanDerWaalsContact N-OE2 3.09Å; T136-E162 PolarHBondContact OG1-OE2 2.96Å; T136-F165 HydrophobicContact CG2-CD2 3.72Å; T136-F165 HydrophobicContact CG2-CE2 4.26Å; T136-Y190 HydrophobicContact CG2-CD2 4.09Å
137A92.4Very high86.5Confident0 Ų041.1 Ų41.10%021%0.207CC..EExtended strand (participates in β ladder)trans-103.4144.3171.700000110.5Y99 R188 Y189 A192Y99-A137 HydrophobicContact CD1-CB 3.7Å; Y99-A137 HydrophobicContact CE1-CB 3.94Å; A137-R188 WeakPolarHBondContact O-CA 3.47Å; A137-Y189 HydrophobicContact CB-CD1 4.44Å; A137-Y189 HydrophobicContact CB-CD2 4.07Å; A137-Y189 HydrophobicContact CB-CE1 3.92Å; A137-Y189 HydrophobicContact CB-CE2 3.51Å; A137-Y189 VanDerWaalsContact CB-CZ 3.42Å; A137-Y189 PolarHBondContact N-O 3.19Å; A137-Y189 PolarHBondContact O-N 3.41Å; A137-A192 HydrophobicContact CB-CB 3.97Å
138V92.5Very high86.6Confident0 Ų042.6 Ų42.60%022%0.219CC..EExtended strand (participates in β ladder)trans-113130.2175.9-171.30000110.2Y98 Y99 S101 I140 L155 L186 A187 R188Y98-V138 HydrophobicContact CD2-CB 4Å; Y98-V138 HydrophobicContact CD2-CG2 3.93Å; Y98-V138 HydrophobicContact CE2-CB 4.46Å; Y99-V138 PolarHBondContact O-N 2.94Å; S101-V138 WeakPolarHBondContact CB-O 3.49Å; S101-V138 PolarHBondContact N-O 2.94Å; S101-V138 PolarHBondContact OG-O 2.91Å; V138-I140 HydrophobicContact CG1-CG1 4.04Å; V138-L155 HydrophobicContact CB-CD2 4.38Å; V138-L155 HydrophobicContact CG1-CD2 3.77Å; V138-L155 HydrophobicContact CG2-CD2 4.05Å; V138-L186 HydrophobicContact CG1-CD1 3.85Å; V138-L186 HydrophobicContact CG1-CD2 3.95Å; V138-L186 HydrophobicContact CG1-CG 3.71Å; V138-A187 CarbonylContact C-O 3.55Å; V138-A187 WeakPolarHBondContact CA-O 3.42Å; V138-R188 HydrophobicContact CG2-CG 4.22Å
139H91.4Very high86.8Confident0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-103.8127.4168.3-179.8-79.7000109.6K102 A187 Y189 W195 D206 Y208K102-H139 WeakPolarHBondContact CE-NE2 3.26Å; H139-A187 HydrophobicContact CB-CB 3.97Å; H139-A187 PolarHBondContact N-O 3.29Å; H139-A187 PolarHBondContact O-N 3.36Å; H139-Y189 HydrophobicContact CB-CE1 4.21Å; H139-W195 HydrophobicContact CB-CE3 4.48Å; H139-W195 HydrophobicContact CB-CZ3 4.47Å; H139-W195 AromaticContact CD2-CD2 3.41Å; H139-W195 VanDerWaalsContact CD2-CD2 3.41Å; H139-W195 AromaticContact CD2-CE2 3.37Å; H139-W195 AromaticContact CD2-CE3 3.7Å; H139-W195 AromaticContact CD2-CG 3.91Å; H139-W195 AromaticContact CD2-CH2 4Å; H139-W195 AromaticContact CD2-CZ2 3.71Å; H139-W195 AromaticContact CD2-CZ3 3.98Å; H139-W195 AromaticContact CD2-NE1 3.76Å; H139-W195 AromaticContact NE2-CE2 3.55Å; H139-W195 AromaticContact NE2-CZ2 3.78Å; H139-W195 AromaticContact NE2-NE1 3.62Å; H139-D206 IonicContact CD2-OD2 2.73Å; H139-D206 IonicContact CE1-OD2 2.74Å; H139-D206 PolarHBondContact CE1-OD2 3.03Å; H139-D206 IonicContact NE2-OD2 3.28Å; H139-D206 PolarHBondContact NE2-OD2 2.84Å; H139-Y208 AromaticContact CE1-CD1 3.28Å; H139-Y208 WeakPolarHBondContact CE1-CD1 3.43Å; H139-Y208 AromaticContact CE1-CG 3.98Å; H139-Y208 PolarHBondContact CE1-O 2.88Å; H139-Y208 AromaticContact ND1-CD1 3.64Å; H139-Y208 AromaticContact NE2-CD1 3.73Å
140I88.7Confident87Confident8 Ų841.5 Ų41.54%0.04122%0.222CC..  trans-120.8123.4173.5-56.7176000107.1Y98 K102 V138 I144 D146 V151Y98-I140 HydrophobicContact CE2-CD1 4.42Å; K102-I140 VanDerWaalsContact CE-O 3.28Å; K102-I140 WeakPolarHBondContact CE-O 3.43Å; K102-I140 PolarHBondContact NZ-O 3.23Å; V138-I140 HydrophobicContact CG1-CG1 4.04Å; I140-I144 HydrophobicContact CG2-CB 4.12Å; I140-I144 HydrophobicContact CG2-CG2 4.18Å; I140-D146 HydrophobicContact CD1-CB 3.72Å; I140-V151 HydrophobicContact CD1-CG1 4.21Å
141P85.5Confident87Confident1 Ų139.6 Ų39.61%0.00621%0.213CC..  trans-54.5145.4174.2-27.635.8000112.2D143 I144 G185P141-D143 WeakPolarHBondContact CB-OD1 3.45Å; P141-D143 PolarHBondContact O-N 3.07Å; P141-I144 HydrophobicContact CB-CD1 4.13Å; P141-I144 HydrophobicContact CB-CG1 4.21Å; P141-I144 HydrophobicContact CG-CD1 3.98Å; P141-I144 PolarHBondContact O-N 3.22Å; P141-G185 WeakPolarHBondContact CD-O 3.32Å; P141-G185 VanDerWaalsContact CG-O 3.27Å; P141-G185 WeakPolarHBondContact CG-O 3.3Å
142T81.1Confident87Confident88 Ų8841.1 Ų41.154%0.5422%0.221SC..THydrogen-bonded Turntrans-67.3-21.5-171.3-48.60000113.4K102 D206K102-T142 PolarHBondContact NZ-OG1 3.14Å; K102-T142 VanDerWaalsContact NZ-OG1 3.16Å; T142-D206 PolarHBondContact OG1-O 2.7Å
143D77.7Confident86.9Confident66 Ų6640.7 Ų40.735%0.35322%0.218SC..THydrogen-bonded Turntrans-83.8-9.6175.556.6-33000114P141 R392P141-D143 WeakPolarHBondContact CB-OD1 3.45Å; P141-D143 PolarHBondContact O-N 3.07Å; D143-R392 IonicContact OD1-NH2 2.83Å; D143-R392 PolarHBondContact OD1-NH2 3.06Å; D143-R392 IonicContact OD2-CZ 2.88Å; D143-R392 IonicContact OD2-NE 2.83Å; D143-R392 PolarHBondContact OD2-NE 3.15Å; D143-R392 IonicContact OD2-NH2 3.84Å; D143-R392 PolarHBondContact OD2-NH2 3.47Å
144I82.5Confident87Confident38 Ų3838.2 Ų38.220%0.19521%0.207CC..SBendtrans-102.1129.2-179.8-59.9-178.3000109.3I140 P141 V151 T184I140-I144 HydrophobicContact CG2-CB 4.12Å; I140-I144 HydrophobicContact CG2-CG2 4.18Å; P141-I144 HydrophobicContact CB-CD1 4.13Å; P141-I144 HydrophobicContact CB-CG1 4.21Å; P141-I144 HydrophobicContact CG-CD1 3.98Å; P141-I144 PolarHBondContact O-N 3.22Å; I144-V151 HydrophobicContact CG2-CG2 3.73Å; I144-T184 WeakPolarHBondContact CD1-O 3.38Å
145Y83.3Confident87Confident161 Ų16133.1 Ų33.163%0.63118%0.179SC*.  trans-76.7123.7176.4-179.2-122.9000110.8G147 A148Y145-G147 VanDerWaalsContact C-N 3.29Å; Y145-G147 VanDerWaalsContact CE1-C 3.46Å; Y145-G147 VanDerWaalsContact CE1-CA 3.42Å; Y145-G147 PolarHBondContact O-N 2.91Å; Y145-A148 HydrophobicContact CD1-CB 4.3Å; Y145-A148 WeakPolarHBondContact O-CB 3.42Å; Y145-A148 PolarHBondContact O-N 3.46Å
146D77.9Confident87Confident27 Ų2732.8 Ų32.814%0.14418%0.179CC..THydrogen-bonded Turntrans-67.7-25.2-177.257.5-15.1000113.6R113 R116 I140R113-D146 IonicContact CZ-OD2 2.71Å; R113-D146 IonicContact NH1-OD2 3.24Å; R113-D146 PolarHBondContact NH1-OD2 3.39Å; R116-D146 IonicContact NH2-OD2 2.65Å; R116-D146 PolarHBondContact NH2-OD2 3.05Å; I140-D146 HydrophobicContact CD1-CB 3.72Å
147G81.3Confident87Confident29 Ų2932.7 Ų32.730%0.29918%0.178SC..THydrogen-bonded Turntrans-87.66.4176.400000115.3Y145Y145-G147 VanDerWaalsContact C-N 3.29Å; Y145-G147 VanDerWaalsContact CE1-C 3.46Å; Y145-G147 VanDerWaalsContact CE1-CA 3.42Å; Y145-G147 PolarHBondContact O-N 2.91Å
148A85.3Confident87Confident31 Ų3132.7 Ų32.726%0.25618%0.178SC..  trans-69.6137.6178.100000111.1Y145 I150 V151 L152Y145-A148 HydrophobicContact CD1-CB 4.3Å; Y145-A148 WeakPolarHBondContact O-CB 3.42Å; Y145-A148 PolarHBondContact O-N 3.46Å; A148-I150 HydrophobicContact CB-CG2 4.11Å; A148-I150 PolarHBondContact O-N 2.92Å; A148-I150 VanDerWaalsContact O-N 3.1Å; A148-V151 HydrophobicContact CB-CB 4.46Å; A148-V151 HydrophobicContact CB-CG2 4.14Å; A148-V151 WeakPolarHBondContact O-CA 3.47Å; A148-V151 WeakPolarHBondContact O-CB 3.39Å; A148-V151 PolarHBondContact O-N 3.37Å; A148-L152 PolarHBondContact O-N 3.01Å
149T86.9Confident87Confident55 Ų5537.3 Ų37.334%0.33720%0.2SC..Hα-helixtrans-53.2-36.5-178.2-49.40000113.4W87 K88 D89 F91 N153W87-T149 HydrophobicContact CZ2-CG2 4.13Å; K88-T149 WeakPolarHBondContact O-CG2 3.49Å; D89-T149 VanDerWaalsContact O-CG2 3.27Å; D89-T149 WeakPolarHBondContact O-CG2 3.28Å; F91-T149 HydrophobicContact CE2-CG2 4.49Å; T149-N153 PolarHBondContact O-N 2.99Å; T149-N153 PolarHBondContact O-ND2 3.1Å
150I87.8Confident87.1Confident80 Ų8039.2 Ų39.241%0.4122%0.215SC..Hα-helixtrans-63.7-42.8175.2-175.264.5000112W87 A148 E154 T184W87-I150 HydrophobicContact CH2-CB 4.34Å; W87-I150 HydrophobicContact CH2-CD1 3.6Å; W87-I150 HydrophobicContact CZ3-CD1 3.91Å; A148-I150 HydrophobicContact CB-CG2 4.11Å; A148-I150 PolarHBondContact O-N 2.92Å; A148-I150 VanDerWaalsContact O-N 3.1Å; I150-E154 WeakPolarHBondContact O-CG 3.45Å; I150-E154 PolarHBondContact O-N 3.12Å; I150-E154 VanDerWaalsContact O-N 3.13Å; I150-T184 HydrophobicContact CD1-CG2 4.16Å; I150-T184 HydrophobicContact CG1-CG2 3.75Å
151V89Confident87.4Confident3 Ų338.8 Ų38.82%0.01821%0.213CC..Hα-helixtrans-71.7-40.9179.4179.10000110.6I140 I144 A148 E154 L155 L186I140-V151 HydrophobicContact CD1-CG1 4.21Å; I144-V151 HydrophobicContact CG2-CG2 3.73Å; A148-V151 HydrophobicContact CB-CB 4.46Å; A148-V151 HydrophobicContact CB-CG2 4.14Å; A148-V151 WeakPolarHBondContact O-CA 3.47Å; A148-V151 WeakPolarHBondContact O-CB 3.39Å; A148-V151 PolarHBondContact O-N 3.37Å; V151-E154 WeakPolarHBondContact O-CB 3.37Å; V151-E154 PolarHBondContact O-N 3.16Å; V151-L155 HydrophobicContact CG1-CD1 4.15Å; V151-L155 HydrophobicContact CG1-CG 4.37Å; V151-L155 VanDerWaalsContact O-CG 3.3Å; V151-L155 WeakPolarHBondContact O-CG 3.46Å; V151-L155 PolarHBondContact O-N 3.32Å; V151-L186 HydrophobicContact CG1-CD1 4.11Å
152L88.8Confident87.8Confident34 Ų3440.2 Ų40.218%0.17822%0.22CC..Hα-helixtrans-63.6-41.6177.8-65.4175.9000112F91 I96 A148 L155 N156F91-L152 HydrophobicContact CB-CD1 4.13Å; F91-L152 HydrophobicContact CD2-CB 3.56Å; F91-L152 HydrophobicContact CD2-CD1 3.74Å; F91-L152 HydrophobicContact CD2-CG 4.31Å; F91-L152 HydrophobicContact CE2-CB 3.55Å; F91-L152 HydrophobicContact CG-CB 4.22Å; F91-L152 HydrophobicContact CG-CD1 4.19Å; F91-L152 HydrophobicContact CZ-CB 4.21Å; I96-L152 HydrophobicContact CD1-CB 3.96Å; I96-L152 HydrophobicContact CD1-CD2 4.21Å; I96-L152 VanDerWaalsContact CD1-O 3.32Å; I96-L152 WeakPolarHBondContact CD1-O 2.98Å; A148-L152 PolarHBondContact O-N 3.01Å; L152-L155 HydrophobicContact CD2-CD1 4.27Å; L152-L155 PolarHBondContact O-N 3.38Å; L152-N156 WeakPolarHBondContact O-CB 3.18Å; L152-N156 PolarHBondContact O-N 3.28Å; L152-N156 VanDerWaalsContact O-N 3.08Å
153N90Very high88.4Confident0 Ų040.7 Ų40.70%022%0.219CC..Hα-helixtrans-62.3-43.6173.1-84.9-73.3000111.8H85 W87 K88 F91 T149 L155 N156 W157H85-N153 PolarHBondContact NE2-OD1 2.78Å; H85-N153 VanDerWaalsContact NE2-OD1 3.12Å; W87-N153 HydrophobicContact CE3-CB 3.93Å; W87-N153 HydrophobicContact CH2-CB 4.24Å; W87-N153 HydrophobicContact CZ3-CB 3.71Å; K88-N153 PolarHBondContact N-OD1 3Å; K88-N153 PolarHBondContact O-ND2 2.81Å; F91-N153 WeakPolarHBondContact CE2-ND2 3.31Å; F91-N153 HydrophobicContact CZ-CB 4.42Å; T149-N153 PolarHBondContact O-N 2.99Å; T149-N153 PolarHBondContact O-ND2 3.1Å; N153-L155 VanDerWaalsContact C-N 3.33Å; N153-L155 PolarHBondContact O-N 3.46Å; N153-N156 PolarHBondContact O-N 2.87Å; N153-W157 PolarHBondContact O-N 3.27Å
154E90.4Very high89.3Confident11 Ų1138.5 Ų38.55%0.05121%0.208CC..Hα-helixtrans-58.6-45.9174.6-73.7-67.5120.800111.5I150 V151 N156 W157 T158 S182 T184 L186I150-E154 WeakPolarHBondContact O-CG 3.45Å; I150-E154 PolarHBondContact O-N 3.12Å; I150-E154 VanDerWaalsContact O-N 3.13Å; V151-E154 WeakPolarHBondContact O-CB 3.37Å; V151-E154 PolarHBondContact O-N 3.16Å; E154-N156 VanDerWaalsContact C-N 3.25Å; E154-N156 PolarHBondContact O-N 2.92Å; E154-W157 PolarHBondContact OE1-NE1 2.91Å; E154-W157 WeakPolarHBondContact OE2-CZ2 3.14Å; E154-W157 PolarHBondContact OE2-NE1 3.35Å; E154-T158 WeakPolarHBondContact O-CB 3.43Å; E154-T158 VanDerWaalsContact O-CG2 3.28Å; E154-T158 WeakPolarHBondContact O-CG2 3.43Å; E154-T158 PolarHBondContact O-N 2.95Å; E154-T158 VanDerWaalsContact O-N 3.13Å; E154-T158 PolarHBondContact O-OG1 2.86Å; E154-S182 WeakPolarHBondContact OE2-CB 3.37Å; E154-S182 PolarHBondContact OE2-OG 2.77Å; E154-T184 HydrophobicContact CG-CG2 3.67Å; E154-L186 HydrophobicContact CB-CD1 4.43Å
155L90.9Very high90Very high1 Ų136.7 Ų36.71%0.00520%0.199CC..Hα-helixtrans-58.8-38.7179.6-75.2169.7000112.6I96 Y98 V138 V151 L152 N153 T158 L186 R188I96-L155 HydrophobicContact CG2-CB 4.09Å; Y98-L155 HydrophobicContact CD1-CD1 4.06Å; Y98-L155 HydrophobicContact CD1-CD2 4.39Å; Y98-L155 HydrophobicContact CD2-CD2 4.04Å; Y98-L155 HydrophobicContact CE1-CD1 3.65Å; Y98-L155 HydrophobicContact CE2-CD1 4.36Å; Y98-L155 HydrophobicContact CE2-CD2 4.23Å; Y98-L155 HydrophobicContact CG-CD2 4.13Å; V138-L155 HydrophobicContact CB-CD2 4.38Å; V138-L155 HydrophobicContact CG1-CD2 3.77Å; V138-L155 HydrophobicContact CG2-CD2 4.05Å; V151-L155 HydrophobicContact CG1-CD1 4.15Å; V151-L155 HydrophobicContact CG1-CG 4.37Å; V151-L155 VanDerWaalsContact O-CG 3.3Å; V151-L155 WeakPolarHBondContact O-CG 3.46Å; V151-L155 PolarHBondContact O-N 3.32Å; L152-L155 HydrophobicContact CD2-CD1 4.27Å; L152-L155 PolarHBondContact O-N 3.38Å; N153-L155 VanDerWaalsContact C-N 3.33Å; N153-L155 PolarHBondContact O-N 3.46Å; L155-T158 PolarHBondContact O-OG1 3.34Å; L155-L186 HydrophobicContact CD2-CD1 3.42Å; L155-L186 VanDerWaalsContact CD2-CD1 3.42Å; L155-L186 HydrophobicContact CG-CD1 3.68Å; L155-R188 VanDerWaalsContact CA-NH2 3.25Å; L155-R188 PolarHBondContact O-NH1 3.36Å; L155-R188 PolarHBondContact O-NH2 3.43Å
156N91.3Very high90.5Very high46 Ų4631.3 Ų31.325%0.24618%0.179CC..Hα-helixtrans-68.6-57.9-177.9-1738.7000111.9I96 L152 N153 E154 T158 E159I96-N156 HydrophobicContact CD1-CB 4.21Å; L152-N156 WeakPolarHBondContact O-CB 3.18Å; L152-N156 PolarHBondContact O-N 3.28Å; L152-N156 VanDerWaalsContact O-N 3.08Å; N153-N156 PolarHBondContact O-N 2.87Å; E154-N156 VanDerWaalsContact C-N 3.25Å; E154-N156 PolarHBondContact O-N 2.92Å; N156-T158 VanDerWaalsContact C-N 3.33Å; N156-T158 PolarHBondContact O-N 3.1Å; N156-E159 VanDerWaalsContact O-CB 3.25Å; N156-E159 WeakPolarHBondContact O-CB 3.33Å; N156-E159 PolarHBondContact O-N 2.93Å; N156-E159 VanDerWaalsContact O-N 3.16Å
157W91.9Very high91.4Very high8 Ų835.8 Ų35.83%0.0320%0.197CC..Hα-helixtrans-69.7-31.9-17676.8-103.2000112.8A78 F81 Q82 H85 N153 E154 E159 L161 F180A78-W157 HydrophobicContact CB-CZ3 4.16Å; F81-W157 HydrophobicContact CB-CE3 4.45Å; Q82-W157 HydrophobicContact CB-CD2 3.96Å; Q82-W157 HydrophobicContact CB-CE3 3.87Å; Q82-W157 HydrophobicContact CB-CH2 4.39Å; Q82-W157 HydrophobicContact CB-CZ2 4.47Å; Q82-W157 HydrophobicContact CB-CZ3 4.09Å; Q82-W157 HydrophobicContact CG-CD2 4.29Å; Q82-W157 HydrophobicContact CG-CZ2 4.49Å; H85-W157 HydrophobicContact CB-CB 3.89Å; N153-W157 PolarHBondContact O-N 3.27Å; E154-W157 PolarHBondContact OE1-NE1 2.91Å; E154-W157 WeakPolarHBondContact OE2-CZ2 3.14Å; E154-W157 PolarHBondContact OE2-NE1 3.35Å; W157-E159 PolarHBondContact O-N 3.44Å; W157-L161 HydrophobicContact CZ3-CD1 4.35Å; W157-F180 HydrophobicContact CH2-CD1 4.36Å; W157-F180 AromaticContact CH2-CE1 3.47Å; W157-F180 HydrophobicContact CH2-CE1 3.47Å; W157-F180 VanDerWaalsContact CH2-CE1 3.47Å; W157-F180 HydrophobicContact CH2-CE2 4.39Å; W157-F180 AromaticContact CH2-CZ 3.49Å; W157-F180 HydrophobicContact CH2-CZ 3.49Å; W157-F180 VanDerWaalsContact CH2-CZ 3.49Å; W157-F180 AromaticContact CZ2-CE1 3.65Å; W157-F180 HydrophobicContact CZ2-CE1 3.65Å; W157-F180 AromaticContact CZ2-CZ 3.82Å; W157-F180 HydrophobicContact CZ2-CZ 3.82Å
158T93.6Very high92Very high0 Ų034.7 Ų34.70%018%0.184CC..G310 helixtrans-70.5-9.517853.10000112.5E154 L155 N156 A160 L161 F180 R188E154-T158 WeakPolarHBondContact O-CB 3.43Å; E154-T158 VanDerWaalsContact O-CG2 3.28Å; E154-T158 WeakPolarHBondContact O-CG2 3.43Å; E154-T158 PolarHBondContact O-N 2.95Å; E154-T158 VanDerWaalsContact O-N 3.13Å; E154-T158 PolarHBondContact O-OG1 2.86Å; L155-T158 PolarHBondContact O-OG1 3.34Å; N156-T158 VanDerWaalsContact C-N 3.33Å; N156-T158 PolarHBondContact O-N 3.1Å; T158-A160 VanDerWaalsContact C-N 3.27Å; T158-A160 PolarHBondContact O-N 3.41Å; T158-L161 HydrophobicContact CG2-CD1 4.19Å; T158-L161 WeakPolarHBondContact O-CB 3.32Å; T158-L161 PolarHBondContact O-N 2.96Å; T158-F180 HydrophobicContact CG2-CD1 3.71Å; T158-F180 HydrophobicContact CG2-CE1 3.58Å; T158-R188 PolarHBondContact O-NH1 3.39Å; T158-R188 PolarHBondContact OG1-NE 3.44Å; T158-R188 PolarHBondContact OG1-NH1 2.83Å; T158-R188 PolarHBondContact OG1-NH2 3.29Å
159E92.3Very high92.4Very high97 Ų9734.7 Ų34.745%0.45318%0.177SC..G310 helixtrans-64.5-37.4-179.4-170.5-177.5162.300110.6N156 W157 L161 E162N156-E159 VanDerWaalsContact O-CB 3.25Å; N156-E159 WeakPolarHBondContact O-CB 3.33Å; N156-E159 PolarHBondContact O-N 2.93Å; N156-E159 VanDerWaalsContact O-N 3.16Å; W157-E159 PolarHBondContact O-N 3.44Å; E159-L161 PolarHBondContact O-N 2.87Å; E159-E162 VanDerWaalsContact O-CB 3.32Å; E159-E162 WeakPolarHBondContact O-CB 3.41Å; E159-E162 PolarHBondContact O-N 3.34Å
160A93.1Very high92.7Very high39 Ų3939.1 Ų39.132%0.32219%0.194SC..G310 helixtrans-59.8-17.9176.500000114F81 T158 E162F81-A160 HydrophobicContact CB-CB 4.39Å; F81-A160 HydrophobicContact CD1-CB 4.06Å; F81-A160 HydrophobicContact CD2-CB 3.62Å; F81-A160 HydrophobicContact CE1-CB 4.21Å; F81-A160 HydrophobicContact CE2-CB 3.77Å; F81-A160 WeakPolarHBondContact CE2-O 3.3Å; F81-A160 HydrophobicContact CG-CB 3.78Å; F81-A160 HydrophobicContact CZ-CB 4.07Å; T158-A160 VanDerWaalsContact C-N 3.27Å; T158-A160 PolarHBondContact O-N 3.41Å; A160-E162 VanDerWaalsContact C-N 3.27Å; A160-E162 PolarHBondContact O-N 3.47Å
161L94.6Very high93Very high0 Ų040.5 Ų40.50%020%0.202CC..Hα-helixtrans-70.8-22.4176.3-64.9171.2000113A78 F81 W157 T158 E159 D163 V164 F165 F180 M461A78-L161 HydrophobicContact CB-CD2 3.92Å; F81-L161 HydrophobicContact CD2-CD2 4.03Å; F81-L161 HydrophobicContact CE2-CD2 4.22Å; W157-L161 HydrophobicContact CZ3-CD1 4.35Å; T158-L161 HydrophobicContact CG2-CD1 4.19Å; T158-L161 WeakPolarHBondContact O-CB 3.32Å; T158-L161 PolarHBondContact O-N 2.96Å; E159-L161 PolarHBondContact O-N 2.87Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.15Å; L161-V164 PolarHBondContact O-N 3.48Å; L161-F165 HydrophobicContact CB-CD2 4.1Å; L161-F165 HydrophobicContact CB-CE2 3.67Å; L161-F165 HydrophobicContact CB-CZ 4.25Å; L161-F165 WeakPolarHBondContact O-CD2 3.5Å; L161-F165 WeakPolarHBondContact O-CG 3.26Å; L161-F165 PolarHBondContact O-N 2.88Å; L161-F180 HydrophobicContact CD1-CB 4.22Å; L161-F180 HydrophobicContact CD1-CD1 4.14Å; L161-F180 HydrophobicContact CD1-CG 4.18Å; L161-M461 HydrophobicContact CD1-CE 3.77Å; L161-M461 HydrophobicContact CD2-CE 3.95Å
162E94.3Very high93.1Very high30 Ų3041.6 Ų41.614%0.1421%0.208CC..Hα-helixtrans-56.5-43.1-179.5-179.9161.9139.400112.5T136 E159 A160 V164 F165 K166T136-E162 HydrophobicContact CG2-CB 3.89Å; T136-E162 HydrophobicContact CG2-CG 3.88Å; T136-E162 PolarHBondContact N-OE2 3.05Å; T136-E162 VanDerWaalsContact N-OE2 3.09Å; T136-E162 PolarHBondContact OG1-OE2 2.96Å; E159-E162 VanDerWaalsContact O-CB 3.32Å; E159-E162 WeakPolarHBondContact O-CB 3.41Å; E159-E162 PolarHBondContact O-N 3.34Å; A160-E162 VanDerWaalsContact C-N 3.27Å; A160-E162 PolarHBondContact O-N 3.47Å; E162-V164 VanDerWaalsContact C-N 3.27Å; E162-V164 PolarHBondContact O-N 2.99Å; E162-F165 PolarHBondContact O-N 2.92Å; E162-K166 HydrophobicContact CG-CD 4.26Å; E162-K166 WeakPolarHBondContact O-CG 3.27Å; E162-K166 PolarHBondContact O-N 3.16Å; E162-K166 WeakPolarHBondContact OE1-CE 3.43Å; E162-K166 IonicContact OE1-NZ 2.58Å; E162-K166 PolarHBondContact OE1-NZ 3.17Å
163D94.3Very high93.2Very high99 Ų9944.3 Ų44.353%0.52923%0.228SC..Hα-helixtrans-64.1-33.1177.6-76.2-15.3000112.6L161 K167L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.15Å; D163-K167 VanDerWaalsContact O-CG 3.27Å; D163-K167 WeakPolarHBondContact O-CG 3.15Å; D163-K167 PolarHBondContact O-N 3.11Å
164V96.1Very high93.1Very high20 Ų2047.9 Ų47.912%0.12125%0.25CC..Hα-helixtrans-76.8-41178.9-171.50000110.2L74 A77 F81 L161 E162 K166 K167 N168L74-V164 HydrophobicContact CD2-CB 3.94Å; L74-V164 HydrophobicContact CD2-CG1 3.57Å; L74-V164 HydrophobicContact CG-CG1 4.18Å; A77-V164 HydrophobicContact CB-CG1 4.48Å; A77-V164 HydrophobicContact CB-CG2 3.95Å; F81-V164 HydrophobicContact CE2-CG2 4.02Å; F81-V164 HydrophobicContact CZ-CG2 4.24Å; L161-V164 PolarHBondContact O-N 3.48Å; E162-V164 VanDerWaalsContact C-N 3.27Å; E162-V164 PolarHBondContact O-N 2.99Å; V164-K166 VanDerWaalsContact C-N 3.32Å; V164-K166 PolarHBondContact O-N 3.3Å; V164-K167 PolarHBondContact O-N 2.87Å; V164-N168 PolarHBondContact O-N 3.03Å
165F96.1Very high93.2Very high0 Ų047.5 Ų47.50%025%0.248CC..Hα-helixtrans-58.6-43.9174.6-70.3-48.9000112.1L74 T136 L161 E162 N168 R169 Q178 F180 Y190L74-F165 HydrophobicContact CD1-CD1 4.08Å; L74-F165 HydrophobicContact CD1-CE1 3.89Å; L74-F165 HydrophobicContact CD2-CD1 3.51Å; L74-F165 HydrophobicContact CD2-CE1 3.52Å; L74-F165 HydrophobicContact CD2-CG 4.31Å; L74-F165 HydrophobicContact CD2-CZ 4.33Å; L74-F165 HydrophobicContact CG-CD1 4.46Å; L74-F165 HydrophobicContact CG-CE1 4.36Å; T136-F165 HydrophobicContact CG2-CD2 3.72Å; T136-F165 HydrophobicContact CG2-CE2 4.26Å; L161-F165 HydrophobicContact CB-CD2 4.1Å; L161-F165 HydrophobicContact CB-CE2 3.67Å; L161-F165 HydrophobicContact CB-CZ 4.25Å; L161-F165 WeakPolarHBondContact O-CD2 3.5Å; L161-F165 WeakPolarHBondContact O-CG 3.26Å; L161-F165 PolarHBondContact O-N 2.88Å; E162-F165 PolarHBondContact O-N 2.92Å; F165-N168 PolarHBondContact O-N 2.92Å; F165-R169 PolarHBondContact O-N 2.87Å; F165-Q178 HydrophobicContact CD1-CB 3.45Å; F165-Q178 VanDerWaalsContact CD1-CB 3.45Å; F165-Q178 HydrophobicContact CD1-CG 4.24Å; F165-Q178 HydrophobicContact CE1-CB 3.6Å; F165-Q178 HydrophobicContact CG-CB 4.49Å; F165-Q178 PolarHBondContact O-NE2 2.97Å; F165-Q178 VanDerWaalsContact O-NE2 3.07Å; F165-F180 HydrophobicContact CZ-CB 4.48Å; F165-Y190 HydrophobicContact CB-CD1 3.99Å; F165-Y190 HydrophobicContact CB-CD2 4.14Å; F165-Y190 HydrophobicContact CB-CG 3.67Å; F165-Y190 HydrophobicContact CG-CG 4.33Å
166K95.4Very high93.3Very high48 Ų4847.9 Ų47.921%0.20925%0.25CC..Hα-helixtrans-60.8-51.1175.7-73.4171.5-176.9166.60111.5N134 E162 V164 N168 R169 E170 Y190N134-K166 WeakPolarHBondContact O-CE 3.35Å; N134-K166 PolarHBondContact O-NZ 3.38Å; E162-K166 HydrophobicContact CG-CD 4.26Å; E162-K166 WeakPolarHBondContact O-CG 3.27Å; E162-K166 PolarHBondContact O-N 3.16Å; E162-K166 WeakPolarHBondContact OE1-CE 3.43Å; E162-K166 IonicContact OE1-NZ 2.58Å; E162-K166 PolarHBondContact OE1-NZ 3.17Å; V164-K166 VanDerWaalsContact C-N 3.32Å; V164-K166 PolarHBondContact O-N 3.3Å; K166-N168 VanDerWaalsContact C-N 3.31Å; K166-N168 PolarHBondContact O-N 3.01Å; K166-R169 PolarHBondContact O-N 2.97Å; K166-E170 WeakPolarHBondContact O-CG 3.39Å; K166-E170 PolarHBondContact O-N 2.83Å; K166-Y190 HydrophobicContact CG-CE2 3.88Å
167K95.2Very high93.4Very high121 Ų12145.9 Ų45.953%0.52624%0.239SC..Hα-helixtrans-58.2-40.5178.7-75.1171.3-172.7167.90112.9D163 V164 R169 E170 D171D163-K167 VanDerWaalsContact O-CG 3.27Å; D163-K167 WeakPolarHBondContact O-CG 3.15Å; D163-K167 PolarHBondContact O-N 3.11Å; V164-K167 PolarHBondContact O-N 2.87Å; K167-R169 VanDerWaalsContact C-N 3.29Å; K167-R169 PolarHBondContact O-N 3.19Å; K167-E170 PolarHBondContact O-N 3.29Å; K167-D171 WeakPolarHBondContact O-CB 3.36Å; K167-D171 PolarHBondContact O-N 2.85Å
168N95.4Very high93.6Very high5 Ų545.5 Ų45.53%0.02724%0.238CC..Hα-helixtrans-62.7-36.7177.2-78.7-12.9000112.6A70 L74 V164 F165 K166 D172 L175 Q178A70-N168 PolarHBondContact O-ND2 3.02Å; L74-N168 WeakPolarHBondContact CD1-ND2 3.22Å; L74-N168 VanDerWaalsContact CG-ND2 3.34Å; L74-N168 WeakPolarHBondContact CG-ND2 3.38Å; V164-N168 PolarHBondContact O-N 3.03Å; F165-N168 PolarHBondContact O-N 2.92Å; K166-N168 VanDerWaalsContact C-N 3.31Å; K166-N168 PolarHBondContact O-N 3.01Å; N168-D172 PolarHBondContact O-N 2.81Å; N168-L175 HydrophobicContact CB-CD1 4.09Å; N168-Q178 PolarHBondContact ND2-OE1 2.86Å
169R92.6Very high93.7Very high32 Ų3246.2 Ų46.212%0.12124%0.242CC..Hα-helixtrans-76.3-33.6177.2-175.468.8172.415512.1112.2F165 K166 K167 D172 P173 L175 Y190F165-R169 PolarHBondContact O-N 2.87Å; K166-R169 PolarHBondContact O-N 2.97Å; K167-R169 VanDerWaalsContact C-N 3.29Å; K167-R169 PolarHBondContact O-N 3.19Å; R169-D172 CarbonylContact O-C 3.2Å; R169-D172 PolarHBondContact O-N 2.76Å; R169-P173 PolarHBondContact NH1-O 2.91Å; R169-P173 PolarHBondContact NH2-O 3.3Å; R169-P173 VanDerWaalsContact NH2-O 3.12Å; R169-L175 PolarHBondContact NH1-O 2.8Å; R169-Y190 HydrophobicContact CB-CE1 3.86Å; R169-Y190 HydrophobicContact CG-CE1 4.11Å
170E93.9Very high93.9Very high148 Ų14841.6 Ų41.669%0.69222%0.22SC*.Hα-helixtrans-64-41.7170.9-70.7174.1178.700111.4K166 K167K166-E170 WeakPolarHBondContact O-CG 3.39Å; K166-E170 PolarHBondContact O-N 2.83Å; K167-E170 PolarHBondContact O-N 3.29Å
171D93.3Very high94.1Very high109 Ų10939.7 Ų39.758%0.58321%0.205SC*.Hα-helixtrans-65.2-39.2174-77.5-10.2000111.4K73 K167K73-D171 IonicContact NZ-OD2 3.01Å; K73-D171 PolarHBondContact NZ-OD2 3.35Å; K167-D171 WeakPolarHBondContact O-CB 3.36Å; K167-D171 PolarHBondContact O-N 2.85Å
172D92.1Very high94Very high25 Ų2539.8 Ų39.813%0.13421%0.205CC..  trans-138.2100.2179.3-165-20.8000114.2R67 N168 R169 T174 L175R67-D172 IonicContact CZ-OD2 3.65Å; R67-D172 VanDerWaalsContact NH1-CG 3.27Å; R67-D172 IonicContact NH1-OD1 3.18Å; R67-D172 IonicContact NH1-OD2 2.68Å; R67-D172 PolarHBondContact NH1-OD2 2.79Å; R67-D172 IonicContact NH2-OD2 2.79Å; N168-D172 PolarHBondContact O-N 2.81Å; R169-D172 CarbonylContact O-C 3.2Å; R169-D172 PolarHBondContact O-N 2.76Å; D172-T174 PolarHBondContact O-N 3.38Å; D172-T174 WeakPolarHBondContact OD1-CB 3.29Å; D172-T174 PolarHBondContact OD1-N 3.05Å; D172-T174 PolarHBondContact OD1-OG1 2.9Å; D172-T174 PolarHBondContact OD2-OG1 2.85Å; D172-L175 HydrophobicContact CB-CB 4.49Å; D172-L175 WeakPolarHBondContact O-CB 3.49Å; D172-L175 PolarHBondContact O-N 3.46Å
173P90.1Very high93.8Very high91 Ų9139.6 Ų39.659%0.59121%0.209SC*.THydrogen-bonded Turntrans-69.11.3176.9-20.833.1000115.5R169R169-P173 PolarHBondContact NH1-O 2.91Å; R169-P173 PolarHBondContact NH2-O 3.3Å; R169-P173 VanDerWaalsContact NH2-O 3.12Å
174T89.1Confident93.5Very high76 Ų7636.3 Ų36.347%0.46619%0.192SC..THydrogen-bonded Turntrans-99.2-4.8174.966.10000112.9R67 D172 L176R67-T174 VanDerWaalsContact NH2-C 3.27Å; R67-T174 PolarHBondContact NH2-O 3.18Å; R67-T174 PolarHBondContact NH2-OG1 3.34Å; D172-T174 PolarHBondContact O-N 3.38Å; D172-T174 WeakPolarHBondContact OD1-CB 3.29Å; D172-T174 PolarHBondContact OD1-N 3.05Å; D172-T174 PolarHBondContact OD1-OG1 2.9Å; D172-T174 PolarHBondContact OD2-OG1 2.85Å; T174-L176 PolarHBondContact O-N 3.02Å
175L91.9Very high93.1Very high2 Ų235.4 Ų35.41%0.0119%0.187CC..  trans-70.7123.9-176.3-153.7169.8000112.2A70 N168 R169 D172 Q178 I463A70-L175 HydrophobicContact CB-CD1 4.19Å; N168-L175 HydrophobicContact CB-CD1 4.09Å; R169-L175 PolarHBondContact NH1-O 2.8Å; D172-L175 HydrophobicContact CB-CB 4.49Å; D172-L175 WeakPolarHBondContact O-CB 3.49Å; D172-L175 PolarHBondContact O-N 3.46Å; L175-Q178 HydrophobicContact CD1-CG 4.42Å; L175-Q178 HydrophobicContact CD2-CG 3.28Å; L175-Q178 HydrophobicContact CG-CG 4.48Å; L175-I463 HydrophobicContact CD1-CD1 4.4Å; L175-I463 HydrophobicContact CD2-CD1 4.41Å; L175-I463 HydrophobicContact CD2-CG2 3.61Å; L175-I463 HydrophobicContact CG-CG2 4.21Å
176L92.9Very high92.9Very high9 Ų935.6 Ų35.65%0.04719%0.188CC..  trans-80.5-141.2179.9-62.7164.1000111.2F127 T174 Q178 L428 D464 S466F127-L176 HydrophobicContact CE1-CB 4.3Å; F127-L176 HydrophobicContact CE1-CD2 4.27Å; T174-L176 PolarHBondContact O-N 3.02Å; L176-Q178 PolarHBondContact O-N 2.89Å; L176-L428 HydrophobicContact CB-CD2 4.38Å; L176-L428 HydrophobicContact CD1-CD2 3.76Å; L176-L428 HydrophobicContact CD2-CD2 3.93Å; L176-L428 HydrophobicContact CG-CD2 4.23Å; L176-D464 HydrophobicContact CB-CB 4.38Å; L176-S466 VanDerWaalsContact CD1-N 3.26Å
177W94.2Very high92.9Very high5 Ų533.3 Ų33.32%0.01918%0.178CC..  trans-61.8130.5-179-59.1123.1000111.1F127 T131 Y189 P191 D424 L426 I463 D464F127-W177 HydrophobicContact CB-CZ2 4.4Å; F127-W177 AromaticContact CD1-CD2 3.9Å; F127-W177 HydrophobicContact CD1-CD2 3.9Å; F127-W177 AromaticContact CD1-CE2 3.56Å; F127-W177 HydrophobicContact CD1-CE3 4.12Å; F127-W177 AromaticContact CD1-CH2 3.72Å; F127-W177 HydrophobicContact CD1-CH2 3.72Å; F127-W177 AromaticContact CD1-CZ2 3.48Å; F127-W177 HydrophobicContact CD1-CZ2 3.48Å; F127-W177 VanDerWaalsContact CD1-CZ2 3.48Å; F127-W177 HydrophobicContact CD1-CZ3 4.03Å; F127-W177 AromaticContact CE1-CD2 3.69Å; F127-W177 HydrophobicContact CE1-CD2 3.69Å; F127-W177 AromaticContact CE1-CE2 3.88Å; F127-W177 AromaticContact CE1-CE3 3.78Å; F127-W177 HydrophobicContact CE1-CE3 3.78Å; F127-W177 HydrophobicContact CE1-CG 4.24Å; F127-W177 HydrophobicContact CE1-CH2 4.19Å; F127-W177 HydrophobicContact CE1-CZ2 4.13Å; F127-W177 HydrophobicContact CE1-CZ3 4.01Å; F127-W177 HydrophobicContact CG-CH2 4.35Å; F127-W177 HydrophobicContact CG-CZ2 4.3Å; T131-W177 HydrophobicContact CG2-CH2 4.2Å; W177-Y189 HydrophobicContact CE3-CD2 4.17Å; W177-Y189 HydrophobicContact CZ3-CD2 4.15Å; W177-Y189 HydrophobicContact CZ3-CE2 4.46Å; W177-P191 HydrophobicContact CZ3-CG 3.9Å; W177-P191 VanDerWaalsContact CZ3-O 3.3Å; W177-P191 WeakPolarHBondContact CZ3-O 3.37Å; W177-D424 PolarHBondContact NE1-OD2 3.42Å; W177-D424 VanDerWaalsContact NE1-OD2 3.14Å; W177-L426 HydrophobicContact CD2-CD1 3.89Å; W177-L426 VanDerWaalsContact CE2-CD1 3.46Å; W177-L426 HydrophobicContact CE3-CD1 4.24Å; W177-L426 HydrophobicContact CH2-CD1 3.9Å; W177-L426 HydrophobicContact CZ2-CB 4.15Å; W177-L426 HydrophobicContact CZ2-CD1 3.48Å; W177-L426 VanDerWaalsContact CZ2-CD1 3.48Å; W177-L426 HydrophobicContact CZ2-CG 4.42Å; W177-L426 HydrophobicContact CZ3-CD1 4.26Å; W177-I463 WeakPolarHBondContact O-CA 3.34Å; W177-D464 HydrophobicContact CB-CB 4.42Å; W177-D464 PolarHBondContact O-N 3.48Å; W177-D464 VanDerWaalsContact O-N 3.1Å
178Q95.8Very high92.9Very high0 Ų027.8 Ų27.80%015%0.154CC..EExtended strand (participates in β ladder)trans-107.6126.1164.7-61.2174.677.600106.7F165 N168 L175 L176 Y189 Y190 I463F165-Q178 HydrophobicContact CD1-CB 3.45Å; F165-Q178 VanDerWaalsContact CD1-CB 3.45Å; F165-Q178 HydrophobicContact CD1-CG 4.24Å; F165-Q178 HydrophobicContact CE1-CB 3.6Å; F165-Q178 HydrophobicContact CG-CB 4.49Å; F165-Q178 PolarHBondContact O-NE2 2.97Å; F165-Q178 VanDerWaalsContact O-NE2 3.07Å; N168-Q178 PolarHBondContact ND2-OE1 2.86Å; L175-Q178 HydrophobicContact CD1-CG 4.42Å; L175-Q178 HydrophobicContact CD2-CG 3.28Å; L175-Q178 HydrophobicContact CG-CG 4.48Å; L176-Q178 PolarHBondContact O-N 2.89Å; Q178-Y189 CarbonylContact O-C 3.41Å; Q178-Y189 WeakPolarHBondContact O-CA 3.21Å; Q178-Y189 WeakPolarHBondContact O-CB 3.45Å; Q178-Y190 PolarHBondContact N-O 3.45Å; Q178-Y190 PolarHBondContact O-N 3.5Å; Q178-I463 HydrophobicContact CG-CD1 4.32Å; Q178-I463 HydrophobicContact CG-CG1 4.15Å
179V95.6Very high92.8Very high14 Ų1427.9 Ų27.99%0.08515%0.154CC..EExtended strand (participates in β ladder)trans-134.2136.7-176.8650000111.5A187 R188 W215 A462V179-A187 HydrophobicContact CG2-CB 4.28Å; V179-R188 CarbonylContact C-O 3.59Å; V179-R188 WeakPolarHBondContact CA-O 3.49Å; V179-W215 HydrophobicContact CG1-CH2 3.9Å; V179-W215 HydrophobicContact CG1-CZ2 3.95Å; V179-W215 HydrophobicContact CG1-CZ3 4.48Å; V179-W215 HydrophobicContact CG2-CH2 4.3Å; V179-W215 HydrophobicContact CG2-CZ2 4.37Å; V179-A462 HydrophobicContact CG1-CB 3.42Å; V179-A462 VanDerWaalsContact CG1-CB 3.42Å; V179-A462 PolarHBondContact N-O 3.09Å; V179-A462 PolarHBondContact O-N 2.9Å
180F97Very high92.9Very high0 Ų026.9 Ų26.90%015%0.15CC..EExtended strand (participates in β ladder)trans-105.6117.1163.1176.8-120.2000108.8W157 T158 L161 F165 A187 R188 V438 L458 M461W157-F180 HydrophobicContact CH2-CD1 4.36Å; W157-F180 AromaticContact CH2-CE1 3.47Å; W157-F180 HydrophobicContact CH2-CE1 3.47Å; W157-F180 VanDerWaalsContact CH2-CE1 3.47Å; W157-F180 HydrophobicContact CH2-CE2 4.39Å; W157-F180 AromaticContact CH2-CZ 3.49Å; W157-F180 HydrophobicContact CH2-CZ 3.49Å; W157-F180 VanDerWaalsContact CH2-CZ 3.49Å; W157-F180 AromaticContact CZ2-CE1 3.65Å; W157-F180 HydrophobicContact CZ2-CE1 3.65Å; W157-F180 AromaticContact CZ2-CZ 3.82Å; W157-F180 HydrophobicContact CZ2-CZ 3.82Å; T158-F180 HydrophobicContact CG2-CD1 3.71Å; T158-F180 HydrophobicContact CG2-CE1 3.58Å; L161-F180 HydrophobicContact CD1-CB 4.22Å; L161-F180 HydrophobicContact CD1-CD1 4.14Å; L161-F180 HydrophobicContact CD1-CG 4.18Å; F165-F180 HydrophobicContact CZ-CB 4.48Å; F180-A187 CarbonylContact O-C 3.52Å; F180-A187 WeakPolarHBondContact O-CA 3.43Å; F180-R188 PolarHBondContact N-O 3.34Å; F180-R188 PolarHBondContact O-N 3.31Å; F180-V438 HydrophobicContact CD2-CG2 4.47Å; F180-V438 HydrophobicContact CE2-CB 4.38Å; F180-V438 HydrophobicContact CE2-CG2 4.08Å; F180-L458 HydrophobicContact CZ-CB 4.49Å; F180-M461 HydrophobicContact CB-CE 3.71Å; F180-M461 HydrophobicContact CB-SD 3.58Å; F180-M461 VanDerWaalsContact CB-SD 3.58Å; F180-M461 HydrophobicContact CD2-CE 3.28Å; F180-M461 HydrophobicContact CD2-CG 4.12Å; F180-M461 HydrophobicContact CD2-SD 3.59Å; F180-M461 VanDerWaalsContact CD2-SD 3.59Å; F180-M461 HydrophobicContact CE2-CE 4.07Å; F180-M461 HydrophobicContact CG-CE 3.62Å; F180-M461 HydrophobicContact CG-SD 3.97Å
181G95.6Very high93Very high0 Ų019.8 Ų19.80%012%0.117CC..EExtended strand (participates in β ladder)trans-95.4113.7169.300000110.4Y216 G459 V460G181-Y216 WeakPolarHBondContact O-CE2 3.31Å; G181-G459 CarbonylContact O-C 3.54Å; G181-G459 WeakPolarHBondContact O-CA 3.33Å; G181-V460 PolarHBondContact N-O 3.01Å; G181-V460 PolarHBondContact O-N 3.33Å
182S94.1Very high92.9Very high1 Ų114.6 Ų14.61%0.0079%0.089CC..EExtended strand (participates in β ladder)trans-77.7148.2176178.50000111.2E154 T184 G185 L186E154-S182 WeakPolarHBondContact OE2-CB 3.37Å; E154-S182 PolarHBondContact OE2-OG 2.77Å; S182-T184 WeakPolarHBondContact CB-OG1 3.45Å; S182-T184 PolarHBondContact O-N 2.91Å; S182-T184 VanDerWaalsContact O-N 3.15Å; S182-T184 PolarHBondContact OG-N 2.74Å; S182-T184 PolarHBondContact OG-OG1 3.47Å; S182-G185 PolarHBondContact O-N 3.28Å; S182-L186 WeakPolarHBondContact CB-O 3.07Å; S182-L186 PolarHBondContact N-O 3.47Å
183A90.1Very high92.8Very high26 Ų2613.5 Ų13.522%0.2158%0.084CC..THydrogen-bonded Turntrans-60-21171.100000112.8G185 R211 Y216 L458A183-G185 VanDerWaalsContact C-N 3.25Å; A183-G185 PolarHBondContact O-N 3Å; A183-R211 WeakPolarHBondContact O-CD 3.29Å; A183-Y216 WeakPolarHBondContact CA-OH 3.36Å; A183-L458 PolarHBondContact N-O 3.36Å
184T87.3Confident92.6Very high31 Ų3110.1 Ų10.119%0.196%0.062CC..THydrogen-bonded Turntrans-72.7-15.6173.863.50000113.6I144 I150 E154 S182I144-T184 WeakPolarHBondContact CD1-O 3.38Å; I150-T184 HydrophobicContact CD1-CG2 4.16Å; I150-T184 HydrophobicContact CG1-CG2 3.75Å; E154-T184 HydrophobicContact CG-CG2 3.67Å; S182-T184 WeakPolarHBondContact CB-OG1 3.45Å; S182-T184 PolarHBondContact O-N 2.91Å; S182-T184 VanDerWaalsContact O-N 3.15Å; S182-T184 PolarHBondContact OG-N 2.74Å; S182-T184 PolarHBondContact OG-OG1 3.47Å
185G87.7Confident92.2Very high0 Ų07.7 Ų7.70%04%0.044CC..SBendtrans101.2-7.7-176.200000114.5P141 S182 A183P141-G185 WeakPolarHBondContact CD-O 3.32Å; P141-G185 VanDerWaalsContact CG-O 3.27Å; P141-G185 WeakPolarHBondContact CG-O 3.3Å; S182-G185 PolarHBondContact O-N 3.28Å; A183-G185 VanDerWaalsContact C-N 3.25Å; A183-G185 PolarHBondContact O-N 3Å
186L92.2Very high91Very high4 Ų410.3 Ų10.32%0.0216%0.057CC..  trans-70.7133.6173.4-180153.6000111V138 V151 E154 L155 S182 R188V138-L186 HydrophobicContact CG1-CD1 3.85Å; V138-L186 HydrophobicContact CG1-CD2 3.95Å; V138-L186 HydrophobicContact CG1-CG 3.71Å; V151-L186 HydrophobicContact CG1-CD1 4.11Å; E154-L186 HydrophobicContact CB-CD1 4.43Å; L155-L186 HydrophobicContact CD2-CD1 3.42Å; L155-L186 VanDerWaalsContact CD2-CD1 3.42Å; L155-L186 HydrophobicContact CG-CD1 3.68Å; S182-L186 WeakPolarHBondContact CB-O 3.07Å; S182-L186 PolarHBondContact N-O 3.47Å; L186-R188 HydrophobicContact CD2-CB 4.33Å
187A94.1Very high89.3Confident1 Ų111.8 Ų11.81%0.0087%0.065CC..EExtended strand (participates in β ladder)trans-110.9135168.600000110.6V138 H139 V179 F180 V210V138-A187 CarbonylContact C-O 3.55Å; V138-A187 WeakPolarHBondContact CA-O 3.42Å; H139-A187 HydrophobicContact CB-CB 3.97Å; H139-A187 PolarHBondContact N-O 3.29Å; H139-A187 PolarHBondContact O-N 3.36Å; V179-A187 HydrophobicContact CG2-CB 4.28Å; F180-A187 CarbonylContact O-C 3.52Å; F180-A187 WeakPolarHBondContact O-CA 3.43Å; A187-V210 HydrophobicContact CB-CG2 3.18Å
188R95.3Very high87.2Confident5 Ų514.5 Ų14.52%0.0199%0.088CC..EExtended strand (participates in β ladder)trans-120.3125.2168.9-170.4167.4-65.7-172.6-4.2109.6A137 V138 L155 T158 V179 F180 L186A137-R188 WeakPolarHBondContact O-CA 3.47Å; V138-R188 HydrophobicContact CG2-CG 4.22Å; L155-R188 VanDerWaalsContact CA-NH2 3.25Å; L155-R188 PolarHBondContact O-NH1 3.36Å; L155-R188 PolarHBondContact O-NH2 3.43Å; T158-R188 PolarHBondContact O-NH1 3.39Å; T158-R188 PolarHBondContact OG1-NE 3.44Å; T158-R188 PolarHBondContact OG1-NH1 2.83Å; T158-R188 PolarHBondContact OG1-NH2 3.29Å; V179-R188 CarbonylContact C-O 3.59Å; V179-R188 WeakPolarHBondContact CA-O 3.49Å; F180-R188 PolarHBondContact N-O 3.34Å; F180-R188 PolarHBondContact O-N 3.31Å; L186-R188 HydrophobicContact CD2-CB 4.33Å
189Y95.1Very high84.9Confident7 Ų724.7 Ų24.73%0.02713%0.126CC..EExtended strand (participates in β ladder)trans-131.4154.9-176.961.5-89.3000113.1S101 A137 H139 W177 Q178 S193 W195 L426S101-Y189 WeakPolarHBondContact CB-OH 3.14Å; A137-Y189 HydrophobicContact CB-CD1 4.44Å; A137-Y189 HydrophobicContact CB-CD2 4.07Å; A137-Y189 HydrophobicContact CB-CE1 3.92Å; A137-Y189 HydrophobicContact CB-CE2 3.51Å; A137-Y189 VanDerWaalsContact CB-CZ 3.42Å; A137-Y189 PolarHBondContact N-O 3.19Å; A137-Y189 PolarHBondContact O-N 3.41Å; H139-Y189 HydrophobicContact CB-CE1 4.21Å; W177-Y189 HydrophobicContact CE3-CD2 4.17Å; W177-Y189 HydrophobicContact CZ3-CD2 4.15Å; W177-Y189 HydrophobicContact CZ3-CE2 4.46Å; Q178-Y189 CarbonylContact O-C 3.41Å; Q178-Y189 WeakPolarHBondContact O-CA 3.21Å; Q178-Y189 WeakPolarHBondContact O-CB 3.45Å; Y189-S193 PolarHBondContact OH-O 3.44Å; Y189-W195 HydrophobicContact CE1-CE3 4.02Å; Y189-W195 HydrophobicContact CE1-CZ3 4.01Å; Y189-L426 HydrophobicContact CD2-CD1 4.23Å; Y189-L426 HydrophobicContact CE2-CD1 3.99Å
190Y94.9Very high82.8Confident10 Ų1030.1 Ų30.14%0.03915%0.149CC..EExtended strand (participates in β ladder)trans-133.2140-178.9179.2-91.7000110.9H133 T136 F165 K166 R169 Q178H133-Y190 WeakPolarHBondContact O-CE2 3.29Å; H133-Y190 PolarHBondContact O-OH 3.47Å; T136-Y190 HydrophobicContact CG2-CD2 4.09Å; F165-Y190 HydrophobicContact CB-CD1 3.99Å; F165-Y190 HydrophobicContact CB-CD2 4.14Å; F165-Y190 HydrophobicContact CB-CG 3.67Å; F165-Y190 HydrophobicContact CG-CG 4.33Å; K166-Y190 HydrophobicContact CG-CE2 3.88Å; R169-Y190 HydrophobicContact CB-CE1 3.86Å; R169-Y190 HydrophobicContact CG-CE1 4.11Å; Q178-Y190 PolarHBondContact N-O 3.45Å; Q178-Y190 PolarHBondContact O-N 3.5Å
191P94.3Very high80.6Confident0 Ų032.8 Ų32.80%017%0.165CC..SBendcis-67.7167.4-4.327.7-34.7000113.3F127 T131 D132 W177F127-P191 HydrophobicContact CD2-CG 4.44Å; F127-P191 HydrophobicContact CE1-CG 4.37Å; F127-P191 HydrophobicContact CE2-CG 3.97Å; F127-P191 HydrophobicContact CZ-CG 3.92Å; T131-P191 HydrophobicContact CG2-CG 4.08Å; D132-P191 VanDerWaalsContact O-CB 3.28Å; D132-P191 WeakPolarHBondContact O-CB 3.49Å; W177-P191 HydrophobicContact CZ3-CG 3.9Å; W177-P191 VanDerWaalsContact CZ3-O 3.3Å; W177-P191 WeakPolarHBondContact CZ3-O 3.37Å
192A92.4Very high78.5Confident0 Ų038.5 Ų38.50%020%0.203CC..BIsolated β-bridgetrans-67.5137.9174.900000110.5Y99 F121 T131 D132 H135 A137Y99-A192 HydrophobicContact CD1-CB 3.95Å; Y99-A192 HydrophobicContact CE1-CB 4.33Å; F121-A192 WeakPolarHBondContact CE1-O 3.46Å; T131-A192 CarbonylContact C-O 3.58Å; T131-A192 VanDerWaalsContact CA-O 3.25Å; T131-A192 WeakPolarHBondContact CA-O 3.47Å; D132-A192 HydrophobicContact CB-CB 4.3Å; D132-A192 PolarHBondContact N-O 3.28Å; D132-A192 PolarHBondContact O-N 2.88Å; H135-A192 HydrophobicContact CB-CB 4.4Å; H135-A192 VanDerWaalsContact O-CB 3.25Å; H135-A192 WeakPolarHBondContact O-CB 3.34Å; H135-A192 PolarHBondContact O-N 3.44Å; H135-A192 VanDerWaalsContact O-N 3.09Å; A137-A192 HydrophobicContact CB-CB 3.97Å
193S89.6Confident76.5Confident2 Ų242 Ų421%0.01423%0.227CC..  trans-152.9144.5176-170.10000109.4R129 L130 Y189R129-S193 WeakPolarHBondContact CD-OG 3.35Å; L130-S193 WeakPolarHBondContact O-CB 3.41Å; L130-S193 PolarHBondContact O-OG 2.85Å; Y189-S193 PolarHBondContact OH-O 3.44Å
194P86.3Confident75Confident19 Ų1945.1 Ų45.112%0.12324%0.236CC..  trans-61.913917427.3-35000110.5Y99 M196Y99-P194 WeakPolarHBondContact OH-CA 3.41Å; P194-M196 VanDerWaalsContact C-N 3.35Å; P194-M196 PolarHBondContact O-N 3.06Å
195W79.6Confident73.9Confident25 Ų2548.8 Ų48.810%0.09525%0.253CS..SBendtrans-66.1-39.3-177-169.7-113000112.3S101 K102 H139 Y189 D206 Y208 A425 L426S101-W195 WeakPolarHBondContact O-CB 3.37Å; S101-W195 PolarHBondContact O-N 2.89Å; K102-W195 HydrophobicContact CG-CB 4.36Å; H139-W195 HydrophobicContact CB-CE3 4.48Å; H139-W195 HydrophobicContact CB-CZ3 4.47Å; H139-W195 AromaticContact CD2-CD2 3.41Å; H139-W195 VanDerWaalsContact CD2-CD2 3.41Å; H139-W195 AromaticContact CD2-CE2 3.37Å; H139-W195 AromaticContact CD2-CE3 3.7Å; H139-W195 AromaticContact CD2-CG 3.91Å; H139-W195 AromaticContact CD2-CH2 4Å; H139-W195 AromaticContact CD2-CZ2 3.71Å; H139-W195 AromaticContact CD2-CZ3 3.98Å; H139-W195 AromaticContact CD2-NE1 3.76Å; H139-W195 AromaticContact NE2-CE2 3.55Å; H139-W195 AromaticContact NE2-CZ2 3.78Å; H139-W195 AromaticContact NE2-NE1 3.62Å; Y189-W195 HydrophobicContact CE1-CE3 4.02Å; Y189-W195 HydrophobicContact CE1-CZ3 4.01Å; W195-D206 VanDerWaalsContact NE1-CG 3.31Å; W195-D206 PolarHBondContact NE1-OD1 3.34Å; W195-D206 PolarHBondContact NE1-OD2 2.86Å; W195-Y208 HydrophobicContact CH2-CD1 4.16Å; W195-Y208 AromaticContact CH2-CD2 3.62Å; W195-Y208 HydrophobicContact CH2-CD2 3.62Å; W195-Y208 HydrophobicContact CH2-CE1 4.06Å; W195-Y208 AromaticContact CH2-CE2 3.58Å; W195-Y208 HydrophobicContact CH2-CE2 3.58Å; W195-Y208 AromaticContact CH2-CG 3.97Å; W195-Y208 HydrophobicContact CH2-CG 3.97Å; W195-Y208 AromaticContact CH2-CZ 3.8Å; W195-Y208 AromaticContact CZ2-CD1 3.97Å; W195-Y208 HydrophobicContact CZ2-CD1 3.97Å; W195-Y208 AromaticContact CZ2-CD2 3.31Å; W195-Y208 HydrophobicContact CZ2-CD2 3.31Å; W195-Y208 HydrophobicContact CZ2-CE1 4.33Å; W195-Y208 AromaticContact CZ2-CE2 3.81Å; W195-Y208 HydrophobicContact CZ2-CE2 3.81Å; W195-Y208 AromaticContact CZ2-CG 3.45Å; W195-Y208 HydrophobicContact CZ2-CG 3.45Å; W195-Y208 VanDerWaalsContact CZ2-CG 3.45Å; W195-A425 HydrophobicContact CH2-CB 4.14Å; W195-A425 HydrophobicContact CZ2-CB 4.46Å; W195-L426 HydrophobicContact CD2-CD2 4.37Å; W195-L426 HydrophobicContact CE3-CD2 3.68Å; W195-L426 HydrophobicContact CE3-CG 4.48Å; W195-L426 HydrophobicContact CZ3-CD2 3.78Å; W195-L426 HydrophobicContact CZ3-CG 4.1Å
196M68.1Low73.1Confident57 Ų5750.1 Ų50.128%0.28126%0.26SS..SBendtrans-124.8128.6179.8-66-68.3-76.400108.8P194 A198 T201 K204P194-M196 VanDerWaalsContact C-N 3.35Å; P194-M196 PolarHBondContact O-N 3.06Å; M196-A198 PolarHBondContact O-N 3.42Å; M196-T201 WeakPolarHBondContact CE-OG1 3.3Å; M196-K204 HydrophobicContact CE-CB 3.71Å; M196-K204 HydrophobicContact CE-CD 3.64Å; M196-K204 HydrophobicContact CE-CG 4.06Å
197D56.7Low72.2Confident41 Ų4153.5 Ų53.522%0.21928%0.278CS..  trans-64.6101.3168.2-93.3-24.7000108.2R199 K200 T201D197-R199 PolarHBondContact O-N 3.25Å; D197-K200 HydrophobicContact CB-CB 4.08Å; D197-K200 HydrophobicContact CB-CD 3.99Å; D197-K200 HydrophobicContact CB-CG 4.06Å; D197-K200 PolarHBondContact O-N 3.46Å; D197-K200 WeakPolarHBondContact OD2-CE 3.14Å; D197-K200 IonicContact OD2-NZ 2.72Å; D197-K200 PolarHBondContact OD2-NZ 3.38Å; D197-T201 PolarHBondContact O-N 2.93Å; D197-T201 VanDerWaalsContact O-N 3.15Å
198A49.5Very low71.6Confident61 Ų6154.3 Ų54.350%0.50428%0.281SS..THydrogen-bonded Turntrans-54.6-23.8177.200000112.6M196M196-A198 PolarHBondContact O-N 3.42Å
199R48.4Very low71.2Confident214 Ų21454.1 Ų54.181%0.80828%0.28SS*.THydrogen-bonded Turntrans-70.1-27.7174.5-55.2-175.8-155.7178.46113.7D197D197-R199 PolarHBondContact O-N 3.25Å
200K49.9Very low70.9Confident128 Ų12853.8 Ų53.856%0.55728%0.279SS*.THydrogen-bonded Turntrans-104.6-35.5-172.2-66.9178.3-175.1150.40113.4D197D197-K200 HydrophobicContact CB-CB 4.08Å; D197-K200 HydrophobicContact CB-CD 3.99Å; D197-K200 HydrophobicContact CB-CG 4.06Å; D197-K200 PolarHBondContact O-N 3.46Å; D197-K200 WeakPolarHBondContact OD2-CE 3.14Å; D197-K200 IonicContact OD2-NZ 2.72Å; D197-K200 PolarHBondContact OD2-NZ 3.38Å
201T51.4Low70.5Confident56 Ų5654.6 Ų54.634%0.34428%0.282SS..  trans-14676.8-168.447.50000114.5M196 D197 S203M196-T201 WeakPolarHBondContact CE-OG1 3.3Å; D197-T201 PolarHBondContact O-N 2.93Å; D197-T201 VanDerWaalsContact O-N 3.15Å; T201-S203 VanDerWaalsContact C-N 3.33Å; T201-S203 PolarHBondContact O-N 3.06Å
202P50.9Low70Confident121 Ų12155.9 Ų55.979%0.78629%0.287SS*.THydrogen-bonded Turntrans-74.6-9.3-176.627.7-33.6000115.8
203S53.7Low69.8Low75 Ų7556.9 Ų56.952%0.52429%0.29SS..THydrogen-bonded Turntrans-127.59.7-172.259.50000116T201 S520T201-S203 VanDerWaalsContact C-N 3.33Å; T201-S203 PolarHBondContact O-N 3.06Å; S203-S520 WeakPolarHBondContact OG-CB 3.4Å
204K57.5Low69.7Low90 Ų9058 Ų5839%0.39130%0.298SS..PPolyproline II helixtrans-84.4117.8-179.5-174.9-174.7-179-174.90110M196 D206M196-K204 HydrophobicContact CE-CB 3.71Å; M196-K204 HydrophobicContact CE-CD 3.64Å; M196-K204 HydrophobicContact CE-CG 4.06Å; K204-D206 PolarHBondContact O-N 3.37Å
205I64.1Low70Confident109 Ų10957.5 Ų57.556%0.55929%0.294SS*.PPolyproline II helixtrans-72.1127.5175.3-60.2173.2000108.9L207 Q523I205-L207 PolarHBondContact O-N 2.87Å; I205-Q523 PolarHBondContact O-NE2 3.01Å
206D70.9Confident70.7Confident28 Ų2856.5 Ų56.515%0.1529%0.29CS..PPolyproline II helixtrans-80117.1176.4179.835.1000111.8K102 H139 T142 W195 K204 Y208K102-D206 WeakPolarHBondContact CE-OD2 3.45Å; K102-D206 IonicContact NZ-OD2 3.46Å; K102-D206 PolarHBondContact NZ-OD2 3.19Å; H139-D206 IonicContact CD2-OD2 2.73Å; H139-D206 IonicContact CE1-OD2 2.74Å; H139-D206 PolarHBondContact CE1-OD2 3.03Å; H139-D206 IonicContact NE2-OD2 3.28Å; H139-D206 PolarHBondContact NE2-OD2 2.84Å; T142-D206 PolarHBondContact OG1-O 2.7Å; W195-D206 VanDerWaalsContact NE1-CG 3.31Å; W195-D206 PolarHBondContact NE1-OD1 3.34Å; W195-D206 PolarHBondContact NE1-OD2 2.86Å; K204-D206 PolarHBondContact O-N 3.37Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.32Å; D206-Y208 PolarHBondContact OD1-N 2.97Å
207L74.3Confident71.8Confident75 Ų7554.1 Ų54.139%0.39328%0.278SS..  trans-106.814.4175.4-63.4172.5000112.1I205 D209I205-L207 PolarHBondContact O-N 2.87Å; L207-D209 PolarHBondContact O-N 2.87Å
208Y81.9Confident73.3Confident18 Ų1854 Ų547%0.07128%0.276CS..  trans-65.3130.9176.8-177.5-75.8000111.1H139 W195 D206 V210 R213 A425H139-Y208 AromaticContact CE1-CD1 3.28Å; H139-Y208 WeakPolarHBondContact CE1-CD1 3.43Å; H139-Y208 AromaticContact CE1-CG 3.98Å; H139-Y208 PolarHBondContact CE1-O 2.88Å; H139-Y208 AromaticContact ND1-CD1 3.64Å; H139-Y208 AromaticContact NE2-CD1 3.73Å; W195-Y208 HydrophobicContact CH2-CD1 4.16Å; W195-Y208 AromaticContact CH2-CD2 3.62Å; W195-Y208 HydrophobicContact CH2-CD2 3.62Å; W195-Y208 HydrophobicContact CH2-CE1 4.06Å; W195-Y208 AromaticContact CH2-CE2 3.58Å; W195-Y208 HydrophobicContact CH2-CE2 3.58Å; W195-Y208 AromaticContact CH2-CG 3.97Å; W195-Y208 HydrophobicContact CH2-CG 3.97Å; W195-Y208 AromaticContact CH2-CZ 3.8Å; W195-Y208 AromaticContact CZ2-CD1 3.97Å; W195-Y208 HydrophobicContact CZ2-CD1 3.97Å; W195-Y208 AromaticContact CZ2-CD2 3.31Å; W195-Y208 HydrophobicContact CZ2-CD2 3.31Å; W195-Y208 HydrophobicContact CZ2-CE1 4.33Å; W195-Y208 AromaticContact CZ2-CE2 3.81Å; W195-Y208 HydrophobicContact CZ2-CE2 3.81Å; W195-Y208 AromaticContact CZ2-CG 3.45Å; W195-Y208 HydrophobicContact CZ2-CG 3.45Å; W195-Y208 VanDerWaalsContact CZ2-CG 3.45Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.32Å; D206-Y208 PolarHBondContact OD1-N 2.97Å; Y208-V210 HydrophobicContact CE1-CB 4.36Å; Y208-V210 HydrophobicContact CE1-CG2 3.62Å; Y208-R213 VanDerWaalsContact CD2-CZ 3.45Å; Y208-R213 HydrophobicContact CE2-CG 4.24Å; Y208-A425 HydrophobicContact CD2-CB 3.93Å; Y208-A425 HydrophobicContact CE2-CB 3.51Å
209D85.3Confident75.2Confident0 Ų051.2 Ų51.20%025%0.254CS..  trans-131.4133.9164.8-170.2-34.2000107.3L207 R211 R212L207-D209 PolarHBondContact O-N 2.87Å; D209-R211 VanDerWaalsContact C-N 3.3Å; D209-R211 PolarHBondContact O-N 3.36Å; D209-R211 WeakPolarHBondContact OD1-CB 3.41Å; D209-R211 IonicContact OD1-CZ 2.71Å; D209-R211 PolarHBondContact OD1-N 2.96Å; D209-R211 IonicContact OD1-NE 2.72Å; D209-R211 PolarHBondContact OD1-NE 2.87Å; D209-R211 VanDerWaalsContact OD1-NE 3.08Å; D209-R211 IonicContact OD1-NH2 2.78Å; D209-R211 IonicContact OD2-CZ 3.68Å; D209-R211 IonicContact OD2-NE 3.45Å; D209-R211 PolarHBondContact OD2-NE 3.34Å; D209-R211 IonicContact OD2-NH2 3.64Å; D209-R211 PolarHBondContact OD2-NH2 3.32Å; D209-R212 HydrophobicContact CB-CG 4.32Å
210V88.4Confident77.2Confident0 Ų041 Ų410%022%0.215CC..G310 helixtrans-64.1-38.5-178.9-176.70000111.4A187 Y208 R212 R213 W215 Y216A187-V210 HydrophobicContact CB-CG2 3.18Å; Y208-V210 HydrophobicContact CE1-CB 4.36Å; Y208-V210 HydrophobicContact CE1-CG2 3.62Å; V210-R212 PolarHBondContact O-N 3.36Å; V210-R213 VanDerWaalsContact O-CB 3.28Å; V210-R213 WeakPolarHBondContact O-CB 3.39Å; V210-R213 WeakPolarHBondContact O-CG 3.35Å; V210-R213 PolarHBondContact O-N 3.4Å; V210-W215 HydrophobicContact CG1-CH2 3.43Å; V210-W215 VanDerWaalsContact CG1-CH2 3.43Å; V210-W215 HydrophobicContact CG1-CZ2 3.51Å; V210-W215 HydrophobicContact CG1-CZ3 4.4Å; V210-Y216 HydrophobicContact CG1-CD2 3.92Å; V210-Y216 WeakPolarHBondContact O-CB 3.22Å
211R87.9Confident78.9Confident28 Ų2835.3 Ų35.311%0.10619%0.192CC..G310 helixtrans-69.3-20.2-171.5-62.6168.7-64.8179.9-1.3113A183 D209 R213 Y216 I217A183-R211 WeakPolarHBondContact O-CD 3.29Å; D209-R211 VanDerWaalsContact C-N 3.3Å; D209-R211 PolarHBondContact O-N 3.36Å; D209-R211 WeakPolarHBondContact OD1-CB 3.41Å; D209-R211 IonicContact OD1-CZ 2.71Å; D209-R211 PolarHBondContact OD1-N 2.96Å; D209-R211 IonicContact OD1-NE 2.72Å; D209-R211 PolarHBondContact OD1-NE 2.87Å; D209-R211 VanDerWaalsContact OD1-NE 3.08Å; D209-R211 IonicContact OD1-NH2 2.78Å; D209-R211 IonicContact OD2-CZ 3.68Å; D209-R211 IonicContact OD2-NE 3.45Å; D209-R211 PolarHBondContact OD2-NE 3.34Å; D209-R211 IonicContact OD2-NH2 3.64Å; D209-R211 PolarHBondContact OD2-NH2 3.32Å; R211-R213 VanDerWaalsContact C-N 3.35Å; R211-Y216 HydrophobicContact CB-CD1 4.22Å; R211-Y216 HydrophobicContact CB-CE1 4.14Å; R211-Y216 HydrophobicContact CG-CE1 4.08Å; R211-Y216 HydrophobicContact CG-CE2 4.45Å; R211-I217 WeakPolarHBondContact O-CG1 3.33Å
212R84.3Confident80.8Confident27 Ų2733 Ų3310%0.10218%0.178CC..G310 helixtrans-86.9-5.9175.8-65.6-176.960.21503.7113.2D209 V210 E250D209-R212 HydrophobicContact CB-CG 4.32Å; V210-R212 PolarHBondContact O-N 3.36Å; R212-E250 IonicContact CZ-OE2 2.81Å; R212-E250 IonicContact NH1-OE2 3.37Å; R212-E250 PolarHBondContact NH1-OE2 3.06Å; R212-E250 IonicContact NH2-OE2 3.66Å; R212-E250 PolarHBondContact NH2-OE2 2.82Å
213R87.1Confident82.8Confident20 Ų2028 Ų288%0.07515%0.146CC..SBendtrans-75.6138.1-176.5-63.4-64.6172.7-178.4-4.8110Y208 V210 R211 W215 Y216 I217 F527Y208-R213 VanDerWaalsContact CD2-CZ 3.45Å; Y208-R213 HydrophobicContact CE2-CG 4.24Å; V210-R213 VanDerWaalsContact O-CB 3.28Å; V210-R213 WeakPolarHBondContact O-CB 3.39Å; V210-R213 WeakPolarHBondContact O-CG 3.35Å; V210-R213 PolarHBondContact O-N 3.4Å; R211-R213 VanDerWaalsContact C-N 3.35Å; R213-W215 HydrophobicContact CB-CD2 4.35Å; R213-W215 HydrophobicContact CB-CG 4.12Å; R213-W215 PolarHBondContact O-N 3.37Å; R213-W215 VanDerWaalsContact O-N 3.14Å; R213-Y216 WeakPolarHBondContact O-CB 3.49Å; R213-Y216 PolarHBondContact O-N 3.27Å; R213-I217 WeakPolarHBondContact O-CG1 3.29Å; R213-I217 PolarHBondContact O-N 3.45Å; R213-F527 PolarHBondContact NH1-O 3.45Å
214P88.8Confident84.7Confident27 Ų2724.6 Ų24.618%0.17512%0.122CC..Hα-helixtrans-51.7-39.7178.8-29.135.5000112.8Y216 I217 Q218P214-Y216 PolarHBondContact O-N 2.92Å; P214-I217 PolarHBondContact O-N 3.46Å; P214-Q218 WeakPolarHBondContact O-CB 3.15Å; P214-Q218 PolarHBondContact O-N 3.03Å
215W92Very high86.4Confident7 Ų720.3 Ų20.33%0.02710%0.103CC..Hα-helixtrans-62.6-38.4176.669.7-108000113.2V179 V210 R213 G219 T419 T433 T435 V460 A462V179-W215 HydrophobicContact CG1-CH2 3.9Å; V179-W215 HydrophobicContact CG1-CZ2 3.95Å; V179-W215 HydrophobicContact CG1-CZ3 4.48Å; V179-W215 HydrophobicContact CG2-CH2 4.3Å; V179-W215 HydrophobicContact CG2-CZ2 4.37Å; V210-W215 HydrophobicContact CG1-CH2 3.43Å; V210-W215 VanDerWaalsContact CG1-CH2 3.43Å; V210-W215 HydrophobicContact CG1-CZ2 3.51Å; V210-W215 HydrophobicContact CG1-CZ3 4.4Å; R213-W215 HydrophobicContact CB-CD2 4.35Å; R213-W215 HydrophobicContact CB-CG 4.12Å; R213-W215 PolarHBondContact O-N 3.37Å; R213-W215 VanDerWaalsContact O-N 3.14Å; W215-G219 PolarHBondContact O-N 2.88Å; W215-T419 VanDerWaalsContact CA-CG2 3.41Å; W215-T419 HydrophobicContact CB-CG2 3.54Å; W215-T433 HydrophobicContact CB-CG2 3.93Å; W215-T433 HydrophobicContact CG-CG2 4.21Å; W215-T435 HydrophobicContact CB-CG2 3.62Å; W215-T435 HydrophobicContact CE3-CG2 4.31Å; W215-T435 WeakPolarHBondContact O-CG2 3.39Å; W215-V460 HydrophobicContact CE3-CG1 4.12Å; W215-V460 HydrophobicContact CZ3-CB 4.08Å; W215-V460 HydrophobicContact CZ3-CG1 4.06Å; W215-A462 HydrophobicContact CD2-CB 4.01Å; W215-A462 HydrophobicContact CE3-CB 3.48Å; W215-A462 VanDerWaalsContact CE3-CB 3.48Å; W215-A462 HydrophobicContact CH2-CB 4.19Å; W215-A462 HydrophobicContact CZ3-CB 3.6Å
216Y93.1Very high87.9Confident4 Ų415.1 Ų15.12%0.0168%0.076CC..Hα-helixtrans-70.2-47.2176.7-175-82.2000110.6G181 A183 V210 R211 R213 P214 Q218 G219 A220 V460G181-Y216 WeakPolarHBondContact O-CE2 3.31Å; A183-Y216 WeakPolarHBondContact CA-OH 3.36Å; V210-Y216 HydrophobicContact CG1-CD2 3.92Å; V210-Y216 WeakPolarHBondContact O-CB 3.22Å; R211-Y216 HydrophobicContact CB-CD1 4.22Å; R211-Y216 HydrophobicContact CB-CE1 4.14Å; R211-Y216 HydrophobicContact CG-CE1 4.08Å; R211-Y216 HydrophobicContact CG-CE2 4.45Å; R213-Y216 WeakPolarHBondContact O-CB 3.49Å; R213-Y216 PolarHBondContact O-N 3.27Å; P214-Y216 PolarHBondContact O-N 2.92Å; Y216-Q218 PolarHBondContact O-N 3.46Å; Y216-G219 PolarHBondContact O-N 3.4Å; Y216-A220 HydrophobicContact CD1-CB 4.08Å; Y216-A220 HydrophobicContact CE1-CB 3.83Å; Y216-A220 WeakPolarHBondContact O-CB 3.37Å; Y216-A220 PolarHBondContact O-N 2.85Å; Y216-V460 HydrophobicContact CD2-CB 3.83Å; Y216-V460 HydrophobicContact CD2-CG2 3.85Å; Y216-V460 HydrophobicContact CE2-CB 4.11Å; Y216-V460 HydrophobicContact CE2-CG2 3.87Å; Y216-V460 HydrophobicContact CG-CB 4.49Å; Y216-V460 HydrophobicContact CG-CG2 4.24Å
217I90.9Very high89Confident7 Ų713.8 Ų13.84%0.0367%0.069CC..Hα-helixtrans-60-45.8-176.9-63.5165.9000111R211 R213 P214 G219 A220 A221 L399R211-I217 WeakPolarHBondContact O-CG1 3.33Å; R213-I217 WeakPolarHBondContact O-CG1 3.29Å; R213-I217 PolarHBondContact O-N 3.45Å; P214-I217 PolarHBondContact O-N 3.46Å; I217-G219 VanDerWaalsContact C-N 3.33Å; I217-G219 PolarHBondContact O-N 3.31Å; I217-A220 PolarHBondContact O-N 3.34Å; I217-A221 PolarHBondContact O-N 2.91Å; I217-L399 HydrophobicContact CG1-CD1 4.06Å; I217-L399 HydrophobicContact CG2-CD1 4.28Å; I217-L399 HydrophobicContact CG2-CD2 4.38Å
218Q89.3Confident90.1Very high38 Ų3810.2 Ų10.218%0.1785%0.051CC..Hα-helixtrans-64-37.6179.4-176.9174.4100112.1P214 Y216 Q417 W418P214-Q218 WeakPolarHBondContact O-CB 3.15Å; P214-Q218 PolarHBondContact O-N 3.03Å; Y216-Q218 PolarHBondContact O-N 3.46Å; Q218-Q417 HydrophobicContact CG-CB 4.27Å; Q218-Q417 PolarHBondContact O-OE1 3.26Å; Q218-Q417 VanDerWaalsContact O-OE1 3.1Å; Q218-W418 PolarHBondContact NE2-O 3.24Å
219G88.7Confident90.7Very high3 Ų39.4 Ų9.43%0.0315%0.047CC..Hα-helixtrans-77.9-22.5175.400000114.4W215 Y216 I217 M406 P437W215-G219 PolarHBondContact O-N 2.88Å; Y216-G219 PolarHBondContact O-N 3.4Å; I217-G219 VanDerWaalsContact C-N 3.33Å; I217-G219 PolarHBondContact O-N 3.31Å; G219-M406 WeakPolarHBondContact O-CE 3.46Å; G219-P437 WeakPolarHBondContact O-CB 3.4Å
220A90.1Very high91.2Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-85.6-30.8-174.200000113.7Y216 I217 M406 I457 V460Y216-A220 HydrophobicContact CD1-CB 4.08Å; Y216-A220 HydrophobicContact CE1-CB 3.83Å; Y216-A220 WeakPolarHBondContact O-CB 3.37Å; Y216-A220 PolarHBondContact O-N 2.85Å; I217-A220 PolarHBondContact O-N 3.34Å; A220-M406 WeakPolarHBondContact O-CE 3.2Å; A220-I457 HydrophobicContact CB-CD1 3.7Å; A220-V460 HydrophobicContact CB-CG2 4.29Å
221A87.3Confident91.4Very high8 Ų89.5 Ų9.57%0.0665%0.048CC..SBendtrans-148.2156.4-177.300000112.6I217 L399 L402I217-A221 PolarHBondContact O-N 2.91Å; A221-L399 HydrophobicContact CB-CD2 3.91Å; A221-L402 HydrophobicContact CB-CB 3.94Å
222S90.9Very high91.7Very high7 Ų78.2 Ų8.25%0.0494%0.043CC..  trans-75.9158.217354.20000111.9N327 F1032S222-N327 PolarHBondContact O-ND2 3.43Å; S222-N327 PolarHBondContact OG-ND2 2.89Å; S222-F1032 PolarHBondContact OG-O 3.43Å
223P92.6Very high92Very high18 Ų187 Ų712%0.1174%0.038CC..  trans-53.3151.4-179.6-26.133.1000113.4D258 D259 A324 C326 N327 P1028P223-D258 HydrophobicContact CB-CB 4.21Å; P223-D258 HydrophobicContact CG-CB 4.18Å; P223-D259 WeakPolarHBondContact CA-OD1 3.46Å; P223-A324 HydrophobicContact CB-CB 4.1Å; P223-C326 WeakPolarHBondContact O-CB 3.45Å; P223-C326 PolarHBondContact O-SG 2.87Å; P223-N327 PolarHBondContact O-N 2.78Å; P223-P1028 HydrophobicContact CG-CB 4.48Å; P223-P1028 HydrophobicContact CG-CG 3.83Å
224K92.8Very high92.1Very high3 Ų37.6 Ų7.61%0.0135%0.051CC..EExtended strand (participates in β ladder)trans-138141.5-173.563.1-153.7169-75.70114.9D259 Y260 N327 I329 Y398 L402K224-D259 HydrophobicContact CG-CB 4.29Å; K224-D259 WeakPolarHBondContact CG-OD1 3.36Å; K224-D259 PolarHBondContact N-OD1 2.87Å; K224-D259 VanDerWaalsContact NZ-CG 3.3Å; K224-D259 IonicContact NZ-OD1 3.4Å; K224-D259 PolarHBondContact NZ-OD1 3.24Å; K224-D259 IonicContact NZ-OD2 3.14Å; K224-D259 PolarHBondContact NZ-OD2 3.35Å; K224-D259 WeakPolarHBondContact O-CA 3.47Å; K224-Y260 PolarHBondContact O-N 2.74Å; K224-N327 CarbonylContact C-O 3.57Å; K224-N327 WeakPolarHBondContact CA-O 3.45Å; K224-N327 HydrophobicContact CB-CB 3.72Å; K224-I329 HydrophobicContact CB-CD1 4.38Å; K224-I329 HydrophobicContact CD-CD1 3.98Å; K224-I329 HydrophobicContact CG-CD1 4.29Å; K224-Y398 HydrophobicContact CD-CE2 4.03Å; K224-Y398 WeakPolarHBondContact CE-OH 3.15Å; K224-L402 HydrophobicContact CD-CD1 3.67Å
225D94.4Very high92Very high0 Ų08.1 Ų8.10%06%0.056CC..EExtended strand (participates in β ladder)trans-93.5102.2164.7-68.4-23.5000108.3Y260 L279 L316 R323 A324 N325 N327 K328 I329D225-Y260 CarbonylContact C-O 3.56Å; D225-Y260 WeakPolarHBondContact OD1-CB 3.39Å; D225-L279 HydrophobicContact CB-CD1 4.05Å; D225-L316 HydrophobicContact CB-CD2 4.26Å; D225-R323 IonicContact OD1-NE 2.69Å; D225-R323 IonicContact OD2-CZ 2.96Å; D225-R323 IonicContact OD2-NE 3.42Å; D225-R323 PolarHBondContact OD2-NE 3.26Å; D225-R323 IonicContact OD2-NH2 3.77Å; D225-R323 PolarHBondContact OD2-NH2 2.96Å; D225-A324 VanDerWaalsContact OD1-CB 3.3Å; D225-A324 WeakPolarHBondContact OD1-CB 3.37Å; D225-A324 PolarHBondContact OD1-N 2.9Å; D225-N325 PolarHBondContact OD1-N 3.13Å; D225-N325 PolarHBondContact OD2-N 2.84Å; D225-N327 PolarHBondContact N-O 3.33Å; D225-K328 HydrophobicContact CB-CG 4.42Å; D225-I329 PolarHBondContact O-N 3.32Å
226M94.1Very high91.9Very high0 Ų07.8 Ų7.80%05%0.054CC..EExtended strand (participates in β ladder)trans-109.4126.3-173.5178167.1173.300112.2I228 M251 L255 Y260 V261 N262 I329 M331M226-I228 HydrophobicContact CE-CD1 3.71Å; M226-I228 HydrophobicContact CE-CG1 3.53Å; M226-I228 HydrophobicContact CG-CG1 4.24Å; M226-M251 HydrophobicContact CE-CG 3.31Å; M226-M251 HydrophobicContact CE-SD 3.86Å; M226-L255 HydrophobicContact SD-CD2 3.82Å; M226-Y260 PolarHBondContact N-O 2.9Å; M226-V261 VanDerWaalsContact O-CA 3.26Å; M226-V261 WeakPolarHBondContact O-CA 3.39Å; M226-N262 PolarHBondContact O-N 2.75Å; M226-I329 HydrophobicContact CB-CD1 3.88Å; M226-I329 HydrophobicContact CB-CG1 3.67Å; M226-I329 HydrophobicContact CG-CD1 3.88Å; M226-I329 HydrophobicContact CG-CG1 3.81Å; M226-I329 HydrophobicContact SD-CD1 3.93Å; M226-M331 HydrophobicContact CE-CB 4.12Å; M226-M331 HydrophobicContact CE-CE 3.5Å; M226-M331 VanDerWaalsContact CE-CE 3.5Å; M226-M331 HydrophobicContact CE-CG 3.61Å; M226-M331 HydrophobicContact CE-SD 3.19Å; M226-M331 WeakPolarHBondContact CE-SD 3.49Å; M226-M331 HydrophobicContact SD-CE 3.83Å; M226-M331 HydrophobicContact SD-SD 4.3Å
227L95.4Very high91.7Very high0 Ų011.1 Ų11.10%08%0.078CC..EExtended strand (participates in β ladder)trans-111.6122.6169.1-166.479.8000110.9L229 N262 V264 L279 A312 Q315 I329 I330 M331L227-L229 HydrophobicContact CD2-CD2 4.34Å; L227-N262 HydrophobicContact CD1-CB 3.83Å; L227-V264 HydrophobicContact CD1-CG2 4.02Å; L227-L279 HydrophobicContact CD1-CD2 4.02Å; L227-A312 HydrophobicContact CD2-CB 3.31Å; L227-Q315 HydrophobicContact CD1-CB 4.43Å; L227-Q315 HydrophobicContact CD2-CB 4.44Å; L227-I329 PolarHBondContact N-O 3.38Å; L227-I330 WeakPolarHBondContact O-CA 3.17Å; L227-M331 PolarHBondContact O-N 3.28Å
228I96.1Very high91.6Very high0 Ų013.5 Ų13.50%010%0.104CC..EExtended strand (participates in β ladder)trans-95.9116.5177.3-54.7-178.8000109.2M226 V230 V248 M251 L252 V261 N262 V263 V264 F333M226-I228 HydrophobicContact CE-CD1 3.71Å; M226-I228 HydrophobicContact CE-CG1 3.53Å; M226-I228 HydrophobicContact CG-CG1 4.24Å; I228-V230 HydrophobicContact CG2-CG2 4.1Å; I228-V248 HydrophobicContact CD1-CG1 4.1Å; I228-V248 HydrophobicContact CG2-CG1 4.14Å; I228-V248 HydrophobicContact CG2-CG2 3.96Å; I228-M251 HydrophobicContact CD1-CG 4.31Å; I228-L252 HydrophobicContact CD1-CD2 4.06Å; I228-L252 HydrophobicContact CD1-CG 4.4Å; I228-V261 HydrophobicContact CD1-CG2 4.29Å; I228-V261 HydrophobicContact CG1-CG2 4.39Å; I228-N262 PolarHBondContact N-O 3.27Å; I228-V263 HydrophobicContact CB-CB 4.44Å; I228-V263 HydrophobicContact CB-CG1 4.13Å; I228-V263 HydrophobicContact CB-CG2 4.13Å; I228-V263 HydrophobicContact CD1-CG2 4.09Å; I228-V263 HydrophobicContact CG1-CG2 4.44Å; I228-V263 HydrophobicContact CG2-CG1 4.19Å; I228-V264 PolarHBondContact O-N 2.56Å; I228-F333 HydrophobicContact CG2-CD2 3.83Å; I228-F333 HydrophobicContact CG2-CE2 3.81Å
229L95.2Very high91.5Very high1 Ų117.2 Ų17.21%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-97.7121.4172.3-70.5176.7000110.1L227 V264 F266 F309 A312 I330 M331 L332 F333L227-L229 HydrophobicContact CD2-CD2 4.34Å; L229-V264 CarbonylContact C-O 3.53Å; L229-V264 WeakPolarHBondContact CA-O 3.07Å; L229-V264 HydrophobicContact CD2-CB 4.18Å; L229-V264 HydrophobicContact CD2-CG1 4.34Å; L229-F266 HydrophobicContact CB-CD1 4.46Å; L229-F266 HydrophobicContact CB-CE1 4.14Å; L229-F266 HydrophobicContact CD2-CD1 4.47Å; L229-F309 HydrophobicContact CD1-CD1 4.13Å; L229-F309 HydrophobicContact CD1-CE1 4.14Å; L229-A312 HydrophobicContact CD1-CB 3.98Å; L229-A312 HydrophobicContact CD2-CB 4.28Å; L229-A312 HydrophobicContact CG-CB 4.39Å; L229-I330 HydrophobicContact CD1-CG2 3.53Å; L229-I330 HydrophobicContact CG-CG2 4.01Å; L229-M331 PolarHBondContact N-O 2.96Å; L229-L332 HydrophobicContact CB-CD1 3.97Å; L229-L332 WeakPolarHBondContact O-CA 3.46Å; L229-F333 PolarHBondContact O-N 3.37Å
230V95.3Very high91.6Very high2 Ų217.9 Ų17.91%0.01213%0.128CC..EExtended strand (participates in β ladder)trans-110120.1178.61770000110I228 A232 I244 V248 V263 V264 Y265 F266 I297I228-V230 HydrophobicContact CG2-CG2 4.1Å; V230-A232 PolarHBondContact O-N 3.39Å; V230-I244 HydrophobicContact CG1-CG2 3.77Å; V230-V248 HydrophobicContact CG2-CG2 3.9Å; V230-V263 HydrophobicContact CG2-CG1 4.12Å; V230-V264 PolarHBondContact N-O 2.79Å; V230-Y265 VanDerWaalsContact O-CA 3.23Å; V230-Y265 WeakPolarHBondContact O-CA 3.35Å; V230-F266 WeakPolarHBondContact O-CD1 3.34Å; V230-F266 PolarHBondContact O-N 2.87Å; V230-I297 HydrophobicContact CG1-CD1 4.31Å
231D93.6Very high91.7Very high0 Ų018.4 Ų18.40%013%0.131CC..EExtended strand (participates in β ladder)trans-69.9119.7168.8-170.6-11.4000109.7S233 V236 F266 T303 F333 T334D231-S233 WeakPolarHBondContact OD1-CB 3.26Å; D231-S233 PolarHBondContact OD1-N 3.4Å; D231-S233 PolarHBondContact OD1-OG 3.1Å; D231-S233 PolarHBondContact OD2-OG 3.15Å; D231-V236 HydrophobicContact CB-CG1 4.37Å; D231-V236 WeakPolarHBondContact O-CG2 3.27Å; D231-F266 HydrophobicContact CB-CE1 4.41Å; D231-F266 HydrophobicContact CB-CZ 4.08Å; D231-T303 WeakPolarHBondContact OD2-CG2 3.3Å; D231-F333 VanDerWaalsContact CB-O 3.32Å; D231-F333 WeakPolarHBondContact CB-O 3.44Å; D231-F333 PolarHBondContact N-O 3.18Å; D231-T334 PolarHBondContact OD2-OG1 3.18Å
232A92.8Very high91.9Very high0 Ų024 Ų240%015%0.154CC..  trans-11727.817700000111.8V230 Y265 F266 I297 A299 K300V230-A232 PolarHBondContact O-N 3.39Å; A232-Y265 HydrophobicContact CB-CD2 3.74Å; A232-Y265 HydrophobicContact CB-CG 4.46Å; A232-F266 PolarHBondContact N-O 2.84Å; A232-I297 HydrophobicContact CB-CG2 4.1Å; A232-A299 CarbonylContact O-C 3.57Å; A232-A299 WeakPolarHBondContact O-CA 3.11Å; A232-K300 PolarHBondContact O-N 3.11Å; A232-K300 VanDerWaalsContact O-O 3.13Å
233S91.3Very high91.9Very high1 Ų123.8 Ų23.81%0.00715%0.152CC..SBendtrans-64.9169.9172.664.50000112.7D231 S235 V236 A299 T303D231-S233 WeakPolarHBondContact OD1-CB 3.26Å; D231-S233 PolarHBondContact OD1-N 3.4Å; D231-S233 PolarHBondContact OD1-OG 3.1Å; D231-S233 PolarHBondContact OD2-OG 3.15Å; S233-S235 VanDerWaalsContact C-N 3.25Å; S233-S235 PolarHBondContact O-N 3.46Å; S233-S235 PolarHBondContact OG-OG 2.88Å; S233-V236 WeakPolarHBondContact O-CG2 3.46Å; S233-A299 VanDerWaalsContact O-CB 3.31Å; S233-A299 WeakPolarHBondContact O-CB 3.39Å; S233-T303 WeakPolarHBondContact CB-OG1 3.32Å; S233-T303 PolarHBondContact OG-OG1 2.9Å
234G88.8Confident92Very high33 Ų3323 Ų2334%0.3415%0.147SC..SBendtrans-65.1-24.8178.600000114.3S237 G301G234-S237 WeakPolarHBondContact O-CB 3.45Å; G234-S237 PolarHBondContact O-N 3.47Å; G234-S237 PolarHBondContact O-OG 3.33Å; G234-G301 PolarHBondContact N-O 3.49Å
235S87.1Confident92Very high39 Ų3925.7 Ų25.727%0.27316%0.157SC..THydrogen-bonded Turntrans-68.4-39.2-176.256.70000112.3S233 S237 D335 Y366S233-S235 VanDerWaalsContact C-N 3.25Å; S233-S235 PolarHBondContact O-N 3.46Å; S233-S235 PolarHBondContact OG-OG 2.88Å; S235-S237 PolarHBondContact O-N 3.28Å; S235-S237 VanDerWaalsContact O-N 3.12Å; S235-D335 WeakPolarHBondContact CB-OD2 3.26Å; S235-D335 PolarHBondContact OG-OD1 3.4Å; S235-D335 VanDerWaalsContact OG-OD1 3.08Å; S235-D335 PolarHBondContact OG-OD2 2.89Å; S235-Y366 WeakPolarHBondContact CB-OH 3.22Å
236V90.4Very high91.8Very high0 Ų027.5 Ų27.50%017%0.168CC..THydrogen-bonded Turntrans-71.2-6.8179.7-61.70000113.5D231 S233 G238 T240 L241 I244 A299 D335D231-V236 HydrophobicContact CB-CG1 4.37Å; D231-V236 WeakPolarHBondContact O-CG2 3.27Å; S233-V236 WeakPolarHBondContact O-CG2 3.46Å; V236-G238 PolarHBondContact O-N 2.88Å; V236-T240 HydrophobicContact CB-CG2 4.26Å; V236-T240 HydrophobicContact CG1-CG2 4.28Å; V236-L241 HydrophobicContact CG2-CD1 4.5Å; V236-L241 WeakPolarHBondContact O-CA 3.11Å; V236-L241 WeakPolarHBondContact O-CB 3.49Å; V236-L241 PolarHBondContact O-N 3.14Å; V236-I244 HydrophobicContact CB-CD1 4.24Å; V236-I244 HydrophobicContact CG1-CD1 4.01Å; V236-A299 HydrophobicContact CG2-CB 3.89Å; V236-D335 HydrophobicContact CG1-CB 3.97Å; V236-D335 PolarHBondContact N-OD2 2.97Å
237S89.4Confident91.7Very high73 Ų7327.5 Ų27.551%0.5117%0.168SC..THydrogen-bonded Turntrans-60.7137.5-177.268.70000112.4G234 S235G234-S237 WeakPolarHBondContact O-CB 3.45Å; G234-S237 PolarHBondContact O-N 3.47Å; G234-S237 PolarHBondContact O-OG 3.33Å; S235-S237 PolarHBondContact O-N 3.28Å; S235-S237 VanDerWaalsContact O-N 3.12Å
238G88.6Confident91.7Very high57 Ų5727.5 Ų27.559%0.58817%0.168SC*.THydrogen-bonded Turntrans102.7-132-177.600000113.2V236 T240 K242V236-G238 PolarHBondContact O-N 2.88Å; G238-T240 PolarHBondContact O-N 3.09Å; G238-K242 PolarHBondContact O-N 3.4Å
239L87.6Confident91.4Very high117 Ų11728.4 Ų28.461%0.61317%0.174SC*.Hα-helixtrans-63.5-40.5-174.8-179.663.2000112K242 L243L239-K242 WeakPolarHBondContact O-CB 3.36Å; L239-K242 PolarHBondContact O-N 3.18Å; L239-K242 VanDerWaalsContact O-N 3.17Å; L239-L243 HydrophobicContact CD1-CG 4.41Å; L239-L243 HydrophobicContact CG-CD1 4.16Å; L239-L243 HydrophobicContact CG-CG 4.38Å; L239-L243 WeakPolarHBondContact O-CG 3.37Å; L239-L243 PolarHBondContact O-N 3.49Å
240T90.3Very high91.1Very high16 Ų1630.7 Ų30.710%0.09819%0.185CC..Hα-helixtrans-62.4-47.2-177.5-56.10000112.2V236 G238 K242 L243 I244 D335 V361V236-T240 HydrophobicContact CB-CG2 4.26Å; V236-T240 HydrophobicContact CG1-CG2 4.28Å; G238-T240 PolarHBondContact O-N 3.09Å; T240-K242 VanDerWaalsContact C-N 3.27Å; T240-K242 PolarHBondContact O-N 3.23Å; T240-L243 WeakPolarHBondContact O-CB 3.4Å; T240-L243 PolarHBondContact O-N 3.46Å; T240-L243 VanDerWaalsContact O-N 3.11Å; T240-I244 HydrophobicContact CG2-CD1 3.92Å; T240-I244 HydrophobicContact CG2-CG1 4.34Å; T240-I244 WeakPolarHBondContact O-CG1 3.47Å; T240-I244 PolarHBondContact O-N 2.95Å; T240-D335 HydrophobicContact CG2-CB 3.84Å; T240-V361 HydrophobicContact CG2-CB 4.25Å; T240-V361 HydrophobicContact CG2-CG1 4.38Å; T240-V361 WeakPolarHBondContact CG2-O 3.42Å
241L91.8Very high90.9Very high11 Ų1130.6 Ų30.66%0.05818%0.184CC..Hα-helixtrans-59.7-38.9174.9-177.666.8000111.6V236 I244 R245 I297 A299V236-L241 HydrophobicContact CG2-CD1 4.5Å; V236-L241 WeakPolarHBondContact O-CA 3.11Å; V236-L241 WeakPolarHBondContact O-CB 3.49Å; V236-L241 PolarHBondContact O-N 3.14Å; L241-I244 PolarHBondContact O-N 3.21Å; L241-R245 VanDerWaalsContact O-CG 3.29Å; L241-R245 WeakPolarHBondContact O-CG 3.1Å; L241-R245 PolarHBondContact O-N 2.86Å; L241-I297 HydrophobicContact CD1-CG2 4.39Å; L241-A299 HydrophobicContact CD2-CB 3.77Å
242K90.6Very high90.8Very high125 Ų12530.6 Ų30.654%0.54318%0.184SC..Hα-helixtrans-61.5-45.9175.1-175.5179.7179.21800111.1G238 L239 T240 R245 T246G238-K242 PolarHBondContact O-N 3.4Å; L239-K242 WeakPolarHBondContact O-CB 3.36Å; L239-K242 PolarHBondContact O-N 3.18Å; L239-K242 VanDerWaalsContact O-N 3.17Å; T240-K242 VanDerWaalsContact C-N 3.27Å; T240-K242 PolarHBondContact O-N 3.23Å; K242-R245 PolarHBondContact O-N 2.84Å; K242-T246 PolarHBondContact O-N 2.83Å; K242-T246 VanDerWaalsContact O-N 3.11Å; K242-T246 PolarHBondContact O-OG1 3.16Å
243L92.3Very high90.5Very high4 Ų433.1 Ų33.12%0.02120%0.196CC..Hα-helixtrans-63.4-40.6176.3-68.8174.1000111.9L239 T240 T246 S247 V361 I388 I391L239-L243 HydrophobicContact CD1-CG 4.41Å; L239-L243 HydrophobicContact CG-CD1 4.16Å; L239-L243 HydrophobicContact CG-CG 4.38Å; L239-L243 WeakPolarHBondContact O-CG 3.37Å; L239-L243 PolarHBondContact O-N 3.49Å; T240-L243 WeakPolarHBondContact O-CB 3.4Å; T240-L243 PolarHBondContact O-N 3.46Å; T240-L243 VanDerWaalsContact O-N 3.11Å; L243-T246 PolarHBondContact O-N 3.41Å; L243-S247 WeakPolarHBondContact O-CB 3.3Å; L243-S247 PolarHBondContact O-N 3.02Å; L243-S247 PolarHBondContact O-OG 2.69Å; L243-V361 HydrophobicContact CB-CG1 3.4Å; L243-V361 VanDerWaalsContact CB-CG1 3.4Å; L243-V361 HydrophobicContact CD1-CG1 4.24Å; L243-V361 HydrophobicContact CG-CG1 4.47Å; L243-I388 HydrophobicContact CD2-CG1 3.56Å; L243-I391 HydrophobicContact CD2-CD1 4.22Å
244I93.6Very high90.4Very high1 Ų133.3 Ų33.31%0.00520%0.197CC..Hα-helixtrans-62-48.6176.4-68.4168.8000110.4V230 V236 T240 L241 T246 S247 V248 F333 V361V230-I244 HydrophobicContact CG1-CG2 3.77Å; V236-I244 HydrophobicContact CB-CD1 4.24Å; V236-I244 HydrophobicContact CG1-CD1 4.01Å; T240-I244 HydrophobicContact CG2-CD1 3.92Å; T240-I244 HydrophobicContact CG2-CG1 4.34Å; T240-I244 WeakPolarHBondContact O-CG1 3.47Å; T240-I244 PolarHBondContact O-N 2.95Å; L241-I244 PolarHBondContact O-N 3.21Å; I244-T246 VanDerWaalsContact C-N 3.32Å; I244-T246 PolarHBondContact O-N 2.7Å; I244-S247 PolarHBondContact O-N 2.93Å; I244-S247 VanDerWaalsContact O-N 3.12Å; I244-V248 HydrophobicContact CG2-CG2 4.2Å; I244-V248 WeakPolarHBondContact O-CG2 3.22Å; I244-V248 PolarHBondContact O-N 2.83Å; I244-F333 HydrophobicContact CG1-CB 4.37Å; I244-F333 HydrophobicContact CG2-CB 3.85Å; I244-F333 HydrophobicContact CG2-CG 4.44Å; I244-V361 HydrophobicContact CD1-CB 4.5Å; I244-V361 HydrophobicContact CG1-CB 3.8Å; I244-V361 HydrophobicContact CG1-CG1 3.83Å; I244-V361 HydrophobicContact CG1-CG2 3.94Å
245R93Very high90.5Very high59 Ų5931.9 Ų31.922%0.22318%0.182CC..Hα-helixtrans-55.7-47.8177.7-71.2174.1-171.3169.44.6111.3L241 K242 S249 V294 Q295 I297L241-R245 VanDerWaalsContact O-CG 3.29Å; L241-R245 WeakPolarHBondContact O-CG 3.1Å; L241-R245 PolarHBondContact O-N 2.86Å; K242-R245 PolarHBondContact O-N 2.84Å; R245-S249 PolarHBondContact O-N 3.42Å; R245-S249 PolarHBondContact O-OG 3.33Å; R245-S249 VanDerWaalsContact O-OG 3.11Å; R245-V294 HydrophobicContact CB-CG1 4.19Å; R245-V294 HydrophobicContact CG-CG1 4.24Å; R245-Q295 PolarHBondContact NE-O 2.87Å; R245-Q295 PolarHBondContact NH1-O 3.15Å; R245-I297 PolarHBondContact NE-O 3.18Å; R245-I297 PolarHBondContact NH2-O 3.01Å
246T90.8Very high90.5Very high39 Ų3931.2 Ų31.224%0.23918%0.177CC..Hα-helixtrans-64.1-41.6176.6-57.20000111.8K242 L243 I244 V248 S249 E250 I391K242-T246 PolarHBondContact O-N 2.83Å; K242-T246 VanDerWaalsContact O-N 3.11Å; K242-T246 PolarHBondContact O-OG1 3.16Å; L243-T246 PolarHBondContact O-N 3.41Å; I244-T246 VanDerWaalsContact C-N 3.32Å; I244-T246 PolarHBondContact O-N 2.7Å; T246-V248 PolarHBondContact O-N 3.4Å; T246-S249 PolarHBondContact O-N 2.91Å; T246-E250 HydrophobicContact CG2-CG 4.45Å; T246-E250 WeakPolarHBondContact O-CG 2.76Å; T246-E250 PolarHBondContact O-N 3.15Å; T246-I391 HydrophobicContact CG2-CD1 3.64Å
247S92.6Very high90.4Very high0 Ų031.4 Ų31.40%018%0.178CC..Hα-helixtrans-65-41.1-179.9-54.70000112.5L243 I244 E250 M251L243-S247 WeakPolarHBondContact O-CB 3.3Å; L243-S247 PolarHBondContact O-N 3.02Å; L243-S247 PolarHBondContact O-OG 2.69Å; I244-S247 PolarHBondContact O-N 2.93Å; I244-S247 VanDerWaalsContact O-N 3.12Å; S247-E250 PolarHBondContact O-N 3.01Å; S247-M251 VanDerWaalsContact O-CB 3.25Å; S247-M251 WeakPolarHBondContact O-CB 3.49Å; S247-M251 PolarHBondContact O-N 3.42Å
248V93.6Very high90.4Very high0 Ų029.1 Ų29.10%016%0.16CC..Hα-helixtrans-66.5-41175.3173.80000110.5I228 V230 I244 T246 M251 L252 V263 V294 F333I228-V248 HydrophobicContact CD1-CG1 4.1Å; I228-V248 HydrophobicContact CG2-CG1 4.14Å; I228-V248 HydrophobicContact CG2-CG2 3.96Å; V230-V248 HydrophobicContact CG2-CG2 3.9Å; I244-V248 HydrophobicContact CG2-CG2 4.2Å; I244-V248 WeakPolarHBondContact O-CG2 3.22Å; I244-V248 PolarHBondContact O-N 2.83Å; T246-V248 PolarHBondContact O-N 3.4Å; V248-M251 PolarHBondContact O-N 3.45Å; V248-L252 HydrophobicContact CG1-CD1 4.46Å; V248-L252 WeakPolarHBondContact O-CG 2.96Å; V248-L252 PolarHBondContact O-N 3.21Å; V248-V263 HydrophobicContact CG1-CG1 4.3Å; V248-V294 HydrophobicContact CB-CG1 4.1Å; V248-V294 HydrophobicContact CG1-CG1 4.07Å; V248-V294 HydrophobicContact CG1-CG2 3.81Å; V248-F333 HydrophobicContact CG2-CD2 3.9Å; V248-F333 HydrophobicContact CG2-CE2 4.01Å; V248-F333 HydrophobicContact CG2-CG 4.19Å; V248-F333 HydrophobicContact CG2-CZ 4.38Å
249S90.9Very high90.6Very high18 Ų1826.6 Ų26.613%0.12613%0.134CC..Hα-helixtrans-60.7-45.4174.3-64.40000112.3R245 T246 L252 E253 Q295R245-S249 PolarHBondContact O-N 3.42Å; R245-S249 PolarHBondContact O-OG 3.33Å; R245-S249 VanDerWaalsContact O-OG 3.11Å; T246-S249 PolarHBondContact O-N 2.91Å; S249-L252 PolarHBondContact O-N 2.95Å; S249-E253 PolarHBondContact O-N 2.82Å; S249-Q295 PolarHBondContact OG-NE2 3.38Å
250E88.4Confident90.9Very high49 Ų4921.4 Ų21.423%0.22911%0.106CC..Hα-helixtrans-66.7-35.9176.2-68.2-62.4142.900112.3R212 T246 S247 L252 E253 I391 T395R212-E250 IonicContact CZ-OE2 2.81Å; R212-E250 IonicContact NH1-OE2 3.37Å; R212-E250 PolarHBondContact NH1-OE2 3.06Å; R212-E250 IonicContact NH2-OE2 3.66Å; R212-E250 PolarHBondContact NH2-OE2 2.82Å; T246-E250 HydrophobicContact CG2-CG 4.45Å; T246-E250 WeakPolarHBondContact O-CG 2.76Å; T246-E250 PolarHBondContact O-N 3.15Å; S247-E250 PolarHBondContact O-N 3.01Å; E250-L252 VanDerWaalsContact C-N 3.35Å; E250-L252 PolarHBondContact O-N 3.27Å; E250-E253 WeakPolarHBondContact O-CB 3.4Å; E250-E253 PolarHBondContact O-N 2.8Å; E250-E253 VanDerWaalsContact O-N 3.13Å; E250-I391 HydrophobicContact CB-CG2 3.87Å; E250-I391 HydrophobicContact CG-CG2 3.77Å; E250-T395 HydrophobicContact CB-CG2 4.48Å
251M91.3Very high91.1Very high0 Ų020.6 Ų20.60%010%0.101CC..Hα-helixtrans-63.2-41.1175.7-174.663.273.400111.6M226 I228 S247 V248 E253 T254 M331 F333 F359 T395 Y398M226-M251 HydrophobicContact CE-CG 3.31Å; M226-M251 HydrophobicContact CE-SD 3.86Å; I228-M251 HydrophobicContact CD1-CG 4.31Å; S247-M251 VanDerWaalsContact O-CB 3.25Å; S247-M251 WeakPolarHBondContact O-CB 3.49Å; S247-M251 PolarHBondContact O-N 3.42Å; V248-M251 PolarHBondContact O-N 3.45Å; M251-E253 PolarHBondContact O-N 3.07Å; M251-T254 WeakPolarHBondContact O-CB 3.13Å; M251-T254 PolarHBondContact O-N 3.01Å; M251-T254 PolarHBondContact O-OG1 3.44Å; M251-M331 HydrophobicContact CE-CE 4.4Å; M251-M331 HydrophobicContact CE-SD 3.64Å; M251-M331 HydrophobicContact CG-SD 4.38Å; M251-M331 HydrophobicContact SD-CE 4.14Å; M251-M331 HydrophobicContact SD-SD 3.9Å; M251-F333 HydrophobicContact CE-CZ 4.07Å; M251-F359 HydrophobicContact CE-CE1 4.03Å; M251-F359 HydrophobicContact CE-CE2 4.18Å; M251-F359 HydrophobicContact CE-CZ 3.52Å; M251-T395 HydrophobicContact CE-CG2 4.01Å; M251-T395 WeakPolarHBondContact CE-O 3.31Å; M251-T395 VanDerWaalsContact SD-O 3.33Å; M251-Y398 HydrophobicContact CE-CD1 4.21Å; M251-Y398 HydrophobicContact CE-CE1 4.4Å; M251-Y398 HydrophobicContact SD-CD1 3.87Å; M251-Y398 HydrophobicContact SD-CE1 3.47Å; M251-Y398 WeakPolarHBondContact SD-CE1 3.27Å
252L91.6Very high91.2Very high0 Ų020.1 Ų20.10%010%0.098CC..Hα-helixtrans-61.6-26.1175.1-70170.6000112.4I228 V248 S249 E250 T254 L255 V261 V263 K287 L290 K291I228-L252 HydrophobicContact CD1-CD2 4.06Å; I228-L252 HydrophobicContact CD1-CG 4.4Å; V248-L252 HydrophobicContact CG1-CD1 4.46Å; V248-L252 WeakPolarHBondContact O-CG 2.96Å; V248-L252 PolarHBondContact O-N 3.21Å; S249-L252 PolarHBondContact O-N 2.95Å; E250-L252 VanDerWaalsContact C-N 3.35Å; E250-L252 PolarHBondContact O-N 3.27Å; L252-T254 PolarHBondContact O-N 3.08Å; L252-L255 HydrophobicContact CD2-CD1 3.87Å; L252-L255 PolarHBondContact O-N 3.17Å; L252-V261 HydrophobicContact CD2-CG1 4.22Å; L252-V261 HydrophobicContact CD2-CG2 3.86Å; L252-V263 HydrophobicContact CD2-CG2 4.45Å; L252-K287 WeakPolarHBondContact O-CD 3.45Å; L252-L290 HydrophobicContact CD1-CB 3.96Å; L252-L290 HydrophobicContact CD2-CD1 4.4Å; L252-K291 HydrophobicContact CD1-CG 3.71Å
253E86.6Confident91.5Very high53 Ų5314.1 Ų14.125%0.2487%0.072CC..Hα-helixtrans-69.1-21.8174.4-56.2-63.6-17400113.2S249 E250 M251 L255 K291S249-E253 PolarHBondContact O-N 2.82Å; E250-E253 WeakPolarHBondContact O-CB 3.4Å; E250-E253 PolarHBondContact O-N 2.8Å; E250-E253 VanDerWaalsContact O-N 3.13Å; M251-E253 PolarHBondContact O-N 3.07Å; E253-L255 PolarHBondContact O-N 3.24Å; E253-K291 WeakPolarHBondContact OE1-CE 3.47Å; E253-K291 IonicContact OE1-NZ 2.83Å; E253-K291 PolarHBondContact OE1-NZ 3.46Å; E253-K291 IonicContact OE2-NZ 3.23Å; E253-K291 PolarHBondContact OE2-NZ 2.85Å
254T88.8Confident91.6Very high5 Ų514 Ų143%0.0317%0.071CC..THydrogen-bonded Turntrans-81.60.2178.272.60000113.5M251 L252 Y398M251-T254 WeakPolarHBondContact O-CB 3.13Å; M251-T254 PolarHBondContact O-N 3.01Å; M251-T254 PolarHBondContact O-OG1 3.44Å; L252-T254 PolarHBondContact O-N 3.08Å; T254-Y398 HydrophobicContact CG2-CE1 4.46Å; T254-Y398 WeakPolarHBondContact OG1-CE1 3.39Å; T254-Y398 PolarHBondContact OG1-OH 2.8Å
255L90.4Very high91.6Very high4 Ų416.1 Ų16.12%0.0218%0.08CC..  trans-96.5133.3-178.9-59.4179.7000111.8M226 L252 E253 D259 V261 A282 K287M226-L255 HydrophobicContact SD-CD2 3.82Å; L252-L255 HydrophobicContact CD2-CD1 3.87Å; L252-L255 PolarHBondContact O-N 3.17Å; E253-L255 PolarHBondContact O-N 3.24Å; L255-D259 WeakPolarHBondContact CA-OD2 2.91Å; L255-D259 HydrophobicContact CB-CB 4.37Å; L255-D259 HydrophobicContact CD2-CB 4.22Å; L255-V261 HydrophobicContact CD1-CB 3.62Å; L255-V261 HydrophobicContact CD1-CG1 3.79Å; L255-V261 HydrophobicContact CD1-CG2 3.7Å; L255-A282 HydrophobicContact CB-CB 3.75Å; L255-A282 HydrophobicContact CD1-CB 4.09Å; L255-K287 HydrophobicContact CB-CD 4.43Å; L255-K287 PolarHBondContact O-NZ 3.06Å
256S88.4Confident91.6Very high24 Ų2413.4 Ų13.417%0.1687%0.069CC..  trans-93.1168175.9-62.20000111.3D258 D259S256-D258 PolarHBondContact O-N 3.38Å; S256-D259 PolarHBondContact N-OD2 2.97Å; S256-D259 WeakPolarHBondContact O-CB 3.38Å; S256-D259 PolarHBondContact O-N 3.15Å
257D87.6Confident91.5Very high4 Ų412.9 Ų12.92%0.0217%0.065CC..THydrogen-bonded Turntrans-65-21.4179.6-66.7-91.6000114.2D259 Q281 N420 Y493D257-D259 VanDerWaalsContact C-N 3.27Å; D257-Q281 WeakPolarHBondContact O-CG 3.35Å; D257-Q281 PolarHBondContact O-NE2 3.15Å; D257-N420 PolarHBondContact OD2-ND2 3.42Å; D257-Y493 HydrophobicContact CB-CE2 3.76Å; D257-Y493 PolarHBondContact OD1-OH 2.85Å
258D90.4Very high91.2Very high26 Ų2616.1 Ų16.114%0.1399%0.085CC..THydrogen-bonded Turntrans-78.4-12.6173.9-67.8-42.9000113.2P223 S256 N491P223-D258 HydrophobicContact CB-CB 4.21Å; P223-D258 HydrophobicContact CG-CB 4.18Å; S256-D258 PolarHBondContact O-N 3.38Å; D258-N491 PolarHBondContact OD1-ND2 3.28Å; D258-N491 PolarHBondContact OD1-OD1 2.7Å
259D92.8Very high90.9Very high4 Ų424.7 Ų24.72%0.02112%0.118CC..  trans-85.4152.1179.9-59.2-39.5000111.7P223 K224 L255 S256 D257 A282P223-D259 WeakPolarHBondContact CA-OD1 3.46Å; K224-D259 HydrophobicContact CG-CB 4.29Å; K224-D259 WeakPolarHBondContact CG-OD1 3.36Å; K224-D259 PolarHBondContact N-OD1 2.87Å; K224-D259 VanDerWaalsContact NZ-CG 3.3Å; K224-D259 IonicContact NZ-OD1 3.4Å; K224-D259 PolarHBondContact NZ-OD1 3.24Å; K224-D259 IonicContact NZ-OD2 3.14Å; K224-D259 PolarHBondContact NZ-OD2 3.35Å; K224-D259 WeakPolarHBondContact O-CA 3.47Å; L255-D259 WeakPolarHBondContact CA-OD2 2.91Å; L255-D259 HydrophobicContact CB-CB 4.37Å; L255-D259 HydrophobicContact CD2-CB 4.22Å; S256-D259 PolarHBondContact N-OD2 2.97Å; S256-D259 WeakPolarHBondContact O-CB 3.38Å; S256-D259 PolarHBondContact O-N 3.15Å; D257-D259 VanDerWaalsContact C-N 3.27Å; D259-A282 HydrophobicContact CB-CB 4.29Å; D259-A282 WeakPolarHBondContact O-CB 3.46Å; D259-A282 PolarHBondContact O-N 3.23Å
260Y93.7Very high90.8Very high7 Ų725.6 Ų25.63%0.02712%0.122CC..EExtended strand (participates in β ladder)trans-118.1132.5178.4-86.4-103.8000109.7K224 D225 M226 L279 V280 Q281 S322 A324 R1025K224-Y260 PolarHBondContact O-N 2.74Å; D225-Y260 CarbonylContact C-O 3.56Å; D225-Y260 WeakPolarHBondContact OD1-CB 3.39Å; M226-Y260 PolarHBondContact N-O 2.9Å; Y260-L279 HydrophobicContact CD1-CB 4.34Å; Y260-V280 CarbonylContact C-O 3.58Å; Y260-V280 WeakPolarHBondContact CA-O 3.18Å; Y260-Q281 HydrophobicContact CE1-CB 4.29Å; Y260-Q281 HydrophobicContact CE2-CB 4.39Å; Y260-Q281 HydrophobicContact CE2-CG 4.4Å; Y260-S322 WeakPolarHBondContact CD1-O 3.44Å; Y260-S322 WeakPolarHBondContact CE1-O 3.5Å; Y260-S322 PolarHBondContact OH-OG 3.12Å; Y260-A324 HydrophobicContact CD2-CB 4.05Å; Y260-R1025 PolarHBondContact OH-NE 2.97Å; Y260-R1025 PolarHBondContact OH-NH2 2.97Å
261V94.8Very high90.7Very high0 Ų028.7 Ų28.70%014%0.135CC..EExtended strand (participates in β ladder)trans-140.3146.2-175.667.40000112.8M226 I228 L252 L255 V280 A282 L290M226-V261 VanDerWaalsContact O-CA 3.26Å; M226-V261 WeakPolarHBondContact O-CA 3.39Å; I228-V261 HydrophobicContact CD1-CG2 4.29Å; I228-V261 HydrophobicContact CG1-CG2 4.39Å; L252-V261 HydrophobicContact CD2-CG1 4.22Å; L252-V261 HydrophobicContact CD2-CG2 3.86Å; L255-V261 HydrophobicContact CD1-CB 3.62Å; L255-V261 HydrophobicContact CD1-CG1 3.79Å; L255-V261 HydrophobicContact CD1-CG2 3.7Å; V261-V280 PolarHBondContact N-O 3.27Å; V261-V280 WeakPolarHBondContact O-CG2 3.08Å; V261-V280 PolarHBondContact O-N 2.84Å; V261-A282 HydrophobicContact CG1-CB 3.77Å; V261-L290 HydrophobicContact CG1-CD1 3.76Å
262N94.1Very high90.5Very high0 Ų030.6 Ų30.60%015%0.145CC..EExtended strand (participates in β ladder)trans-141.5153.8159.4-167.39.1000109M226 L227 I228 F276 H278 L279M226-N262 PolarHBondContact O-N 2.75Å; L227-N262 HydrophobicContact CD1-CB 3.83Å; I228-N262 PolarHBondContact N-O 3.27Å; N262-F276 PolarHBondContact ND2-O 3.4Å; N262-H278 PolarHBondContact ND2-O 3.31Å; N262-L279 HydrophobicContact CB-CD2 3.83Å
263V95Very high89.9Confident0 Ų031.8 Ų31.80%015%0.152CC..EExtended strand (participates in β ladder)trans-119.1129.4179.2-171.50000109.2I228 V230 V248 L252 T273 L290 V294I228-V263 HydrophobicContact CB-CB 4.44Å; I228-V263 HydrophobicContact CB-CG1 4.13Å; I228-V263 HydrophobicContact CB-CG2 4.13Å; I228-V263 HydrophobicContact CD1-CG2 4.09Å; I228-V263 HydrophobicContact CG1-CG2 4.44Å; I228-V263 HydrophobicContact CG2-CG1 4.19Å; V230-V263 HydrophobicContact CG2-CG1 4.12Å; V248-V263 HydrophobicContact CG1-CG1 4.3Å; L252-V263 HydrophobicContact CD2-CG2 4.45Å; V263-T273 HydrophobicContact CB-CG2 4.22Å; V263-T273 HydrophobicContact CG1-CG2 3.8Å; V263-T273 PolarHBondContact O-N 2.66Å; V263-T273 PolarHBondContact O-OG1 3.43Å; V263-L290 HydrophobicContact CB-CD2 4.26Å; V263-L290 HydrophobicContact CG2-CB 4.46Å; V263-L290 HydrophobicContact CG2-CD1 4.39Å; V263-L290 HydrophobicContact CG2-CD2 4.07Å; V263-V294 HydrophobicContact CB-CG2 4.45Å; V263-V294 HydrophobicContact CG1-CG2 3.85Å
264V94.5Very high89.8Confident0 Ų030.2 Ų30.20%015%0.148CC..EExtended strand (participates in β ladder)trans-131.4137.9-175.6-1800000107.7L227 I228 L229 V230 V270 K271 F311L227-V264 HydrophobicContact CD1-CG2 4.02Å; I228-V264 PolarHBondContact O-N 2.56Å; L229-V264 CarbonylContact C-O 3.53Å; L229-V264 WeakPolarHBondContact CA-O 3.07Å; L229-V264 HydrophobicContact CD2-CB 4.18Å; L229-V264 HydrophobicContact CD2-CG1 4.34Å; V230-V264 PolarHBondContact N-O 2.79Å; V264-V270 HydrophobicContact CG1-CG1 3.23Å; V264-K271 WeakPolarHBondContact CG1-O 3.35Å; V264-F311 HydrophobicContact CB-CE1 4.45Å; V264-F311 HydrophobicContact CG1-CD1 3.88Å; V264-F311 HydrophobicContact CG1-CE1 3.88Å; V264-F311 HydrophobicContact CG2-CD1 4.21Å; V264-F311 HydrophobicContact CG2-CE1 3.7Å
265Y94Very high89.7Confident47 Ų4732.8 Ų32.818%0.18417%0.166CC..EExtended strand (participates in β ladder)trans-116.5147.7173.272.9-80.2000110.5V230 A232 K271 T273 I297V230-Y265 VanDerWaalsContact O-CA 3.23Å; V230-Y265 WeakPolarHBondContact O-CA 3.35Å; A232-Y265 HydrophobicContact CB-CD2 3.74Å; A232-Y265 HydrophobicContact CB-CG 4.46Å; Y265-K271 HydrophobicContact CD1-CB 4.33Å; Y265-K271 VanDerWaalsContact CD1-O 3.31Å; Y265-K271 WeakPolarHBondContact CD1-O 3.4Å; Y265-K271 HydrophobicContact CE1-CB 3.69Å; Y265-K271 HydrophobicContact CE2-CB 4.13Å; Y265-K271 HydrophobicContact CE2-CD 4.29Å; Y265-K271 PolarHBondContact N-O 3.35Å; Y265-K271 VanDerWaalsContact N-O 3.07Å; Y265-K271 PolarHBondContact O-N 3.14Å; Y265-K271 VanDerWaalsContact O-O 3.08Å; Y265-K271 VanDerWaalsContact OH-CD 3.23Å; Y265-K271 WeakPolarHBondContact OH-CD 3.41Å; Y265-T273 HydrophobicContact CD1-CG2 3.55Å; Y265-T273 HydrophobicContact CE1-CG2 4.34Å; Y265-T273 HydrophobicContact CG-CG2 4.4Å; Y265-I297 HydrophobicContact CD2-CG2 4.43Å; Y265-I297 HydrophobicContact CG-CG2 4.43Å
266F93.1Very high89.6Confident1 Ų132.7 Ų32.70%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-134.5147.9-178.169.2-83.8000112.1L229 V230 D231 A232 V270 T303 N304 Y305 L332L229-F266 HydrophobicContact CB-CD1 4.46Å; L229-F266 HydrophobicContact CB-CE1 4.14Å; L229-F266 HydrophobicContact CD2-CD1 4.47Å; V230-F266 WeakPolarHBondContact O-CD1 3.34Å; V230-F266 PolarHBondContact O-N 2.87Å; D231-F266 HydrophobicContact CB-CE1 4.41Å; D231-F266 HydrophobicContact CB-CZ 4.08Å; A232-F266 PolarHBondContact N-O 2.84Å; F266-V270 HydrophobicContact CB-CG2 4.07Å; F266-T303 HydrophobicContact CE2-CG2 3.8Å; F266-N304 WeakPolarHBondContact CD2-O 3.44Å; F266-Y305 AromaticContact CE2-CD1 3.93Å; F266-Y305 HydrophobicContact CE2-CD1 3.93Å; F266-Y305 HydrophobicContact CE2-CE1 4.14Å; F266-Y305 AromaticContact CZ-CD1 3.78Å; F266-Y305 HydrophobicContact CZ-CD1 3.78Å; F266-Y305 AromaticContact CZ-CE1 3.79Å; F266-Y305 HydrophobicContact CZ-CE1 3.79Å; F266-L332 HydrophobicContact CE1-CD1 3.58Å; F266-L332 HydrophobicContact CZ-CD1 3.68Å
267N89.4Confident89.5Confident28 Ų2836.9 Ų36.915%0.1519%0.186CC..SBendtrans-138.8-114.4167.556.819.8000108.1R269 K300 I302 N304N267-R269 VanDerWaalsContact C-N 3.27Å; N267-R269 PolarHBondContact N-O 2.96Å; N267-R269 PolarHBondContact OD1-N 3.39Å; N267-R269 VanDerWaalsContact OD1-N 3.09Å; N267-R269 PolarHBondContact OD1-O 3.28Å; N267-R269 VanDerWaalsContact OD1-O 3.13Å; N267-K300 VanDerWaalsContact CB-O 3.24Å; N267-K300 WeakPolarHBondContact CB-O 3.49Å; N267-K300 PolarHBondContact ND2-O 3.45Å; N267-I302 CarbonylContact C-O 3.53Å; N267-I302 WeakPolarHBondContact CA-O 3.5Å; N267-N304 WeakPolarHBondContact O-CB 3.37Å; N267-N304 PolarHBondContact O-N 2.92Å
268T86.3Confident89.6Confident69 Ų6938.6 Ų38.642%0.42319%0.194SC..SBendtrans-69.6-25167.762.90000113.4I302 K307T268-I302 HydrophobicContact CG2-CB 4.41Å; T268-I302 PolarHBondContact N-O 2.89Å; T268-I302 VanDerWaalsContact N-O 3.14Å; T268-K307 PolarHBondContact O-NZ 2.83Å
269R87.3Confident89.7Confident179 Ų17937.6 Ų37.668%0.67519%0.189SC*.SBendtrans-133.4157.4176.1-60.4-173.9-173.4-156.60.9108.8N267N267-R269 VanDerWaalsContact C-N 3.27Å; N267-R269 PolarHBondContact N-O 2.96Å; N267-R269 PolarHBondContact OD1-N 3.39Å; N267-R269 VanDerWaalsContact OD1-N 3.09Å; N267-R269 PolarHBondContact OD1-O 3.28Å; N267-R269 VanDerWaalsContact OD1-O 3.13Å
270V88.7Confident89.7Confident37 Ų3737.7 Ų37.722%0.22419%0.189CC..EExtended strand (participates in β ladder)trans-91.9137.7173.3-173.20000108.5V264 F266 K307 F311V264-V270 HydrophobicContact CG1-CG1 3.23Å; F266-V270 HydrophobicContact CB-CG2 4.07Å; V270-K307 HydrophobicContact CG2-CB 4.03Å; V270-K307 WeakPolarHBondContact CG2-O 3.42Å; V270-F311 HydrophobicContact CB-CB 4.36Å; V270-F311 HydrophobicContact CB-CG 4.37Å; V270-F311 HydrophobicContact CG1-CB 3.93Å; V270-F311 HydrophobicContact CG1-CD1 3.68Å; V270-F311 HydrophobicContact CG1-CD2 4.25Å; V270-F311 HydrophobicContact CG1-CE1 4.23Å; V270-F311 HydrophobicContact CG1-CG 3.68Å; V270-F311 HydrophobicContact CG2-CB 4.23Å
271K87.1Confident89.6Confident115 Ų11538.9 Ų38.950%0.520%0.195SC..EExtended strand (participates in β ladder)trans-139.3141175.6-70.3-175.9175.3-172.20109.8V264 Y265V264-K271 WeakPolarHBondContact CG1-O 3.35Å; Y265-K271 HydrophobicContact CD1-CB 4.33Å; Y265-K271 VanDerWaalsContact CD1-O 3.31Å; Y265-K271 WeakPolarHBondContact CD1-O 3.4Å; Y265-K271 HydrophobicContact CE1-CB 3.69Å; Y265-K271 HydrophobicContact CE2-CB 4.13Å; Y265-K271 HydrophobicContact CE2-CD 4.29Å; Y265-K271 PolarHBondContact N-O 3.35Å; Y265-K271 VanDerWaalsContact N-O 3.07Å; Y265-K271 PolarHBondContact O-N 3.14Å; Y265-K271 VanDerWaalsContact O-O 3.08Å; Y265-K271 VanDerWaalsContact OH-CD 3.23Å; Y265-K271 WeakPolarHBondContact OH-CD 3.41Å
272N85.5Confident89.4Confident40 Ų4038.9 Ų38.921%0.21420%0.195CC..EExtended strand (participates in β ladder)trans-67.8140169.4-61.8-17.2000108.9F276 D277 F311N272-F276 PolarHBondContact ND2-O 2.98Å; N272-D277 PolarHBondContact ND2-OD1 2.89Å; N272-F311 WeakPolarHBondContact OD1-CE1 3.49Å; N272-F311 WeakPolarHBondContact OD1-CZ 3.27Å
273T80.2Confident89.2Confident24 Ų2440.3 Ų40.315%0.14720%0.203CC..SBendtrans-72.3-43.6178.153.10000111.3V263 Y265 I297V263-T273 HydrophobicContact CB-CG2 4.22Å; V263-T273 HydrophobicContact CG1-CG2 3.8Å; V263-T273 PolarHBondContact O-N 2.66Å; V263-T273 PolarHBondContact O-OG1 3.43Å; Y265-T273 HydrophobicContact CD1-CG2 3.55Å; Y265-T273 HydrophobicContact CE1-CG2 4.34Å; Y265-T273 HydrophobicContact CG-CG2 4.4Å; T273-I297 HydrophobicContact CG2-CD1 3.72Å; T273-I297 HydrophobicContact CG2-CG1 4.23Å
274A83.6Confident88.7Confident20 Ų2041.9 Ų41.917%0.16521%0.212CC..SBendtrans-109.1-174.3-177.500000111.2F276 L290 A293A274-F276 HydrophobicContact CB-CD2 3.99Å; A274-F276 PolarHBondContact O-N 3.25Å; A274-L290 HydrophobicContact CB-CD2 3.95Å; A274-A293 HydrophobicContact CB-CB 4.02Å
275C87.7Confident88.3Confident59 Ų5944.9 Ų44.940%0.39922%0.223SC..SBendtrans-70.1-2.3174.860.50000114.5C1016C275-C1016 HydrophobicContact CB-CB 3.75Å; C275-C1016 WeakPolarHBondContact CB-SG 3.3Å; C275-C1016 WeakPolarHBondContact SG-CB 3.43Å; C275-C1016 CovalentContact SG-SG 2.02Å; C275-C1016 PolarHBondContact SG-SG 3.3Å
276F88.5Confident88.1Confident3 Ų343.2 Ų43.21%0.01322%0.218CC..  trans-86.7123.9-175.8-56.5-52.6000111.6N262 N272 A274 V280 N286 L289 L290 A1019N262-F276 PolarHBondContact ND2-O 3.4Å; N272-F276 PolarHBondContact ND2-O 2.98Å; A274-F276 HydrophobicContact CB-CD2 3.99Å; A274-F276 PolarHBondContact O-N 3.25Å; F276-V280 HydrophobicContact CB-CG1 4.07Å; F276-V280 HydrophobicContact CD1-CG1 3.57Å; F276-V280 HydrophobicContact CD1-CG2 4.46Å; F276-V280 HydrophobicContact CD2-CG1 4.33Å; F276-V280 HydrophobicContact CD2-CG2 3.81Å; F276-V280 HydrophobicContact CE1-CG1 4.01Å; F276-V280 HydrophobicContact CE2-CG2 3.91Å; F276-V280 HydrophobicContact CG-CG1 3.74Å; F276-V280 HydrophobicContact CG-CG2 4.09Å; F276-V280 HydrophobicContact CZ-CG2 4.27Å; F276-N286 HydrophobicContact CE2-CB 4.33Å; F276-N286 HydrophobicContact CZ-CB 4.23Å; F276-N286 WeakPolarHBondContact CZ-OD1 3.4Å; F276-L289 HydrophobicContact CE1-CD2 4.43Å; F276-L289 HydrophobicContact CE2-CD2 3.78Å; F276-L289 HydrophobicContact CE2-CG 4.48Å; F276-L289 HydrophobicContact CZ-CD2 3.63Å; F276-L290 HydrophobicContact CD2-CD2 3.94Å; F276-L290 HydrophobicContact CD2-CG 4.32Å; F276-L290 HydrophobicContact CE2-CD2 4.31Å; F276-L290 HydrophobicContact CE2-CG 4.21Å; F276-A1019 HydrophobicContact CD1-CB 3.8Å; F276-A1019 HydrophobicContact CE1-CB 3.5Å
277D86.3Confident87.9Confident112 Ų11243.7 Ų43.760%0.59922%0.22SC*.SBendtrans-94.8-7.4177.8-69.1-32.5000113.7N272 Q315N272-D277 PolarHBondContact ND2-OD1 2.89Å; D277-Q315 PolarHBondContact O-NE2 2.84Å; D277-Q315 PolarHBondContact O-OE1 3.33Å; D277-Q315 VanDerWaalsContact O-OE1 3.05Å
278H89.4Confident87.8Confident39 Ų3948.8 Ų48.818%0.18124%0.241CC..SBendtrans-139172.5-178.355.7-86.9000111.4N262 V280 V321 A1019N262-H278 PolarHBondContact ND2-O 3.31Å; H278-V280 PolarHBondContact O-N 3.36Å; H278-V321 HydrophobicContact CB-CG2 3.99Å; H278-V321 WeakPolarHBondContact CD2-CG1 3.39Å; H278-A1019 PolarHBondContact CE1-O 2.9Å; H278-A1019 PolarHBondContact NE2-O 3.44Å
279L91.3Very high88Confident6 Ų648 Ų483%0.03123%0.233CC..  trans-65.6123.5172-66.5171.4000110.3D225 L227 Y260 N262 L316D225-L279 HydrophobicContact CB-CD1 4.05Å; L227-L279 HydrophobicContact CD1-CD2 4.02Å; Y260-L279 HydrophobicContact CD1-CB 4.34Å; N262-L279 HydrophobicContact CB-CD2 3.83Å; L279-L316 HydrophobicContact CD1-CD2 4.04Å
280V92.8Very high88.2Confident5 Ų539.4 Ų39.43%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-108.7156.1178.1-64.40000110.5Y260 V261 F276 H278 A282 N286 A1019Y260-V280 CarbonylContact C-O 3.58Å; Y260-V280 WeakPolarHBondContact CA-O 3.18Å; V261-V280 PolarHBondContact N-O 3.27Å; V261-V280 WeakPolarHBondContact O-CG2 3.08Å; V261-V280 PolarHBondContact O-N 2.84Å; F276-V280 HydrophobicContact CB-CG1 4.07Å; F276-V280 HydrophobicContact CD1-CG1 3.57Å; F276-V280 HydrophobicContact CD1-CG2 4.46Å; F276-V280 HydrophobicContact CD2-CG1 4.33Å; F276-V280 HydrophobicContact CD2-CG2 3.81Å; F276-V280 HydrophobicContact CE1-CG1 4.01Å; F276-V280 HydrophobicContact CE2-CG2 3.91Å; F276-V280 HydrophobicContact CG-CG1 3.74Å; F276-V280 HydrophobicContact CG-CG2 4.09Å; F276-V280 HydrophobicContact CZ-CG2 4.27Å; H278-V280 PolarHBondContact O-N 3.36Å; V280-A282 PolarHBondContact O-N 3.41Å; V280-N286 HydrophobicContact CG2-CB 4.12Å; V280-A1019 HydrophobicContact CG1-CB 3.93Å
281Q91.8Very high88.3Confident33 Ų3339 Ų3915%0.15420%0.196CC..EExtended strand (participates in β ladder)trans-58.3135.7173.8-169.3-178.19.700110.3D257 Y260 N283 N286D257-Q281 WeakPolarHBondContact O-CG 3.35Å; D257-Q281 PolarHBondContact O-NE2 3.15Å; Y260-Q281 HydrophobicContact CE1-CB 4.29Å; Y260-Q281 HydrophobicContact CE2-CB 4.39Å; Y260-Q281 HydrophobicContact CE2-CG 4.4Å; Q281-N283 PolarHBondContact O-N 3.28Å; Q281-N286 WeakPolarHBondContact O-CB 3.47Å; Q281-N286 PolarHBondContact O-ND2 3.04Å
282A91.5Very high88.4Confident0 Ų037.5 Ų37.50%019%0.194CC..  trans-78.246.4178.700000112.6L255 D259 V261 V280 K287L255-A282 HydrophobicContact CB-CB 3.75Å; L255-A282 HydrophobicContact CD1-CB 4.09Å; D259-A282 HydrophobicContact CB-CB 4.29Å; D259-A282 WeakPolarHBondContact O-CB 3.46Å; D259-A282 PolarHBondContact O-N 3.23Å; V261-A282 HydrophobicContact CG1-CB 3.77Å; V280-A282 PolarHBondContact O-N 3.41Å; A282-K287 HydrophobicContact CB-CD 4.32Å; A282-K287 HydrophobicContact CB-CG 4.26Å; A282-K287 WeakPolarHBondContact O-CD 3.36Å; A282-K287 WeakPolarHBondContact O-CE 3.14Å
283N88.8Confident88.6Confident30 Ų3036.5 Ų36.516%0.1619%0.191CC..  trans-70.6165.1173.970.321.3000111.2Q281 R285 N286 K287Q281-N283 PolarHBondContact O-N 3.28Å; N283-R285 PolarHBondContact O-N 3.35Å; N283-R285 PolarHBondContact OD1-N 3.45Å; N283-N286 PolarHBondContact ND2-ND2 3.24Å; N283-N286 PolarHBondContact O-N 3.49Å; N283-N286 WeakPolarHBondContact OD1-CB 3.34Å; N283-N286 PolarHBondContact OD1-N 3.16Å; N283-N286 PolarHBondContact OD1-ND2 2.58Å; N283-K287 WeakPolarHBondContact O-CB 3.3Å; N283-K287 VanDerWaalsContact O-CG 3.32Å; N283-K287 WeakPolarHBondContact O-CG 3.47Å; N283-K287 PolarHBondContact O-N 2.71Å
284V85.9Confident89.2Confident33 Ų3335.4 Ų35.420%0.219%0.185CC..Hα-helixtrans-55.6-38.6-177.4-1790000112K288 E529V284-K288 WeakPolarHBondContact O-CB 3.38Å; V284-K288 PolarHBondContact O-N 3.36Å; V284-E529 WeakPolarHBondContact CG1-OE2 3.39Å
285R85.5Confident89.5Confident63 Ų6338.3 Ų38.324%0.23819%0.194CC..Hα-helixtrans-68.8-51.4-178.4-60.5-174.9-168.5153.116.3112.6N283 K288 L289 D537 Y871N283-R285 PolarHBondContact O-N 3.35Å; N283-R285 PolarHBondContact OD1-N 3.45Å; R285-K288 WeakPolarHBondContact O-CB 3.42Å; R285-K288 PolarHBondContact O-N 2.98Å; R285-L289 PolarHBondContact O-N 3.17Å; R285-D537 IonicContact CZ-OD2 2.83Å; R285-D537 IonicContact NH1-OD2 3.5Å; R285-D537 IonicContact NH2-OD2 2.79Å; R285-D537 PolarHBondContact NH2-OD2 3.43Å; R285-Y871 PolarHBondContact NH1-OH 2.82Å; R285-Y871 VanDerWaalsContact NH2-CD1 3.33Å; R285-Y871 VanDerWaalsContact NH2-CE2 3.3Å; R285-Y871 PolarHBondContact NH2-OH 2.81Å
286N90Very high89.7Confident12 Ų1241.7 Ų41.76%0.06421%0.209CC..Hα-helixtrans-65.8-40.1-179.9-66.8-17.4000110.7F276 V280 Q281 N283 K288 L289 L290F276-N286 HydrophobicContact CE2-CB 4.33Å; F276-N286 HydrophobicContact CZ-CB 4.23Å; F276-N286 WeakPolarHBondContact CZ-OD1 3.4Å; V280-N286 HydrophobicContact CG2-CB 4.12Å; Q281-N286 WeakPolarHBondContact O-CB 3.47Å; Q281-N286 PolarHBondContact O-ND2 3.04Å; N283-N286 PolarHBondContact ND2-ND2 3.24Å; N283-N286 PolarHBondContact O-N 3.49Å; N283-N286 WeakPolarHBondContact OD1-CB 3.34Å; N283-N286 PolarHBondContact OD1-N 3.16Å; N283-N286 PolarHBondContact OD1-ND2 2.58Å; N286-K288 PolarHBondContact O-N 3.17Å; N286-L289 PolarHBondContact O-N 3.49Å; N286-L290 WeakPolarHBondContact O-CB 3.49Å; N286-L290 VanDerWaalsContact O-CG 3.29Å; N286-L290 WeakPolarHBondContact O-CG 3.1Å; N286-L290 PolarHBondContact O-N 3.45Å
287K89.4Confident89.7Confident10 Ų1041.9 Ų41.94%0.04321%0.21CC..Hα-helixtrans-60.1-44.3173.8-75-168.7-67.5-1720111.6L252 L255 A282 N283 L290 K291L252-K287 WeakPolarHBondContact O-CD 3.45Å; L255-K287 HydrophobicContact CB-CD 4.43Å; L255-K287 PolarHBondContact O-NZ 3.06Å; A282-K287 HydrophobicContact CB-CD 4.32Å; A282-K287 HydrophobicContact CB-CG 4.26Å; A282-K287 WeakPolarHBondContact O-CD 3.36Å; A282-K287 WeakPolarHBondContact O-CE 3.14Å; N283-K287 WeakPolarHBondContact O-CB 3.3Å; N283-K287 VanDerWaalsContact O-CG 3.32Å; N283-K287 WeakPolarHBondContact O-CG 3.47Å; N283-K287 PolarHBondContact O-N 2.71Å; K287-L290 PolarHBondContact O-N 3.19Å; K287-K291 WeakPolarHBondContact O-CB 3.27Å; K287-K291 VanDerWaalsContact O-CG 3.23Å; K287-K291 WeakPolarHBondContact O-CG 3.01Å; K287-K291 PolarHBondContact O-N 3.14Å
288K86.8Confident89.9Confident136 Ų13640.7 Ų40.759%0.59121%0.206SC*.Hα-helixtrans-58.7-49.7175.8-174.9179.6176.4-174.60111.2V284 R285 N286 L290 K291 D292V284-K288 WeakPolarHBondContact O-CB 3.38Å; V284-K288 PolarHBondContact O-N 3.36Å; R285-K288 WeakPolarHBondContact O-CB 3.42Å; R285-K288 PolarHBondContact O-N 2.98Å; N286-K288 PolarHBondContact O-N 3.17Å; K288-L290 VanDerWaalsContact C-N 3.34Å; K288-L290 PolarHBondContact O-N 2.61Å; K288-K291 WeakPolarHBondContact O-CB 3.47Å; K288-K291 PolarHBondContact O-N 2.83Å; K288-K291 VanDerWaalsContact O-N 3.16Å; K288-D292 PolarHBondContact O-N 3.35Å
289L89.8Confident90Very high51 Ų5139.7 Ų39.727%0.26721%0.205SC..Hα-helixtrans-60-42.2178.5-173.465.4000112.6F276 R285 N286 D292 A293 P1015F276-L289 HydrophobicContact CE1-CD2 4.43Å; F276-L289 HydrophobicContact CE2-CD2 3.78Å; F276-L289 HydrophobicContact CE2-CG 4.48Å; F276-L289 HydrophobicContact CZ-CD2 3.63Å; R285-L289 PolarHBondContact O-N 3.17Å; N286-L289 PolarHBondContact O-N 3.49Å; L289-D292 PolarHBondContact O-N 3.38Å; L289-A293 WeakPolarHBondContact O-CB 3.39Å; L289-A293 PolarHBondContact O-N 3Å; L289-P1015 HydrophobicContact CD2-CB 4.31Å
290L91.9Very high89.9Confident0 Ų046.4 Ų46.40%023%0.234CC..Hα-helixtrans-64.7-42.1176.1-72.6171.7000111.7L252 V261 V263 A274 F276 N286 K287 K288 A293 V294L252-L290 HydrophobicContact CD1-CB 3.96Å; L252-L290 HydrophobicContact CD2-CD1 4.4Å; V261-L290 HydrophobicContact CG1-CD1 3.76Å; V263-L290 HydrophobicContact CB-CD2 4.26Å; V263-L290 HydrophobicContact CG2-CB 4.46Å; V263-L290 HydrophobicContact CG2-CD1 4.39Å; V263-L290 HydrophobicContact CG2-CD2 4.07Å; A274-L290 HydrophobicContact CB-CD2 3.95Å; F276-L290 HydrophobicContact CD2-CD2 3.94Å; F276-L290 HydrophobicContact CD2-CG 4.32Å; F276-L290 HydrophobicContact CE2-CD2 4.31Å; F276-L290 HydrophobicContact CE2-CG 4.21Å; N286-L290 WeakPolarHBondContact O-CB 3.49Å; N286-L290 VanDerWaalsContact O-CG 3.29Å; N286-L290 WeakPolarHBondContact O-CG 3.1Å; N286-L290 PolarHBondContact O-N 3.45Å; K287-L290 PolarHBondContact O-N 3.19Å; K288-L290 VanDerWaalsContact C-N 3.34Å; K288-L290 PolarHBondContact O-N 2.61Å; L290-A293 PolarHBondContact O-N 2.79Å; L290-V294 WeakPolarHBondContact O-CB 3.44Å; L290-V294 WeakPolarHBondContact O-CG2 3.48Å; L290-V294 PolarHBondContact O-N 2.68Å
291K90.4Very high89.7Confident27 Ų2748.3 Ų48.312%0.11726%0.255CS..Hα-helixtrans-60.2-46.3175.8-73.2169.8-171.6172.90110.9L252 E253 K287 K288 V294 Q295L252-K291 HydrophobicContact CD1-CG 3.71Å; E253-K291 WeakPolarHBondContact OE1-CE 3.47Å; E253-K291 IonicContact OE1-NZ 2.83Å; E253-K291 PolarHBondContact OE1-NZ 3.46Å; E253-K291 IonicContact OE2-NZ 3.23Å; E253-K291 PolarHBondContact OE2-NZ 2.85Å; K287-K291 WeakPolarHBondContact O-CB 3.27Å; K287-K291 VanDerWaalsContact O-CG 3.23Å; K287-K291 WeakPolarHBondContact O-CG 3.01Å; K287-K291 PolarHBondContact O-N 3.14Å; K288-K291 WeakPolarHBondContact O-CB 3.47Å; K288-K291 PolarHBondContact O-N 2.83Å; K288-K291 VanDerWaalsContact O-N 3.16Å; K291-V294 PolarHBondContact O-N 3.4Å; K291-Q295 WeakPolarHBondContact O-CG 3.31Å; K291-Q295 PolarHBondContact O-N 2.81Å; K291-Q295 VanDerWaalsContact O-N 3.14Å
292D89.3Confident89.5Confident84 Ų8453.1 Ų53.145%0.44928%0.28SS..Hα-helixtrans-65.2-42.6179.7-65.7-22.5000111.6K288 L289 V294 Q295K288-D292 PolarHBondContact O-N 3.35Å; L289-D292 PolarHBondContact O-N 3.38Å; D292-V294 VanDerWaalsContact C-N 3.33Å; D292-V294 PolarHBondContact O-N 2.97Å; D292-Q295 PolarHBondContact O-N 3.49Å
293A90.7Very high89.3Confident20 Ų2055.1 Ų55.117%0.16529%0.292CS..Hα-helixtrans-62-39.217500000112.4A274 L289 L290 Q295 N296A274-A293 HydrophobicContact CB-CB 4.02Å; L289-A293 WeakPolarHBondContact O-CB 3.39Å; L289-A293 PolarHBondContact O-N 3Å; L290-A293 PolarHBondContact O-N 2.79Å; A293-Q295 VanDerWaalsContact C-N 3.35Å; A293-Q295 PolarHBondContact O-N 3.35Å; A293-N296 PolarHBondContact O-N 3.36Å
294V92.5Very high89.4Confident1 Ų155.9 Ų55.91%0.00630%0.296CS..Hα-helixtrans-64.3-38.4177.7165.80000111.7R245 V248 V263 L290 K291 D292 N296 I297R245-V294 HydrophobicContact CB-CG1 4.19Å; R245-V294 HydrophobicContact CG-CG1 4.24Å; V248-V294 HydrophobicContact CB-CG1 4.1Å; V248-V294 HydrophobicContact CG1-CG1 4.07Å; V248-V294 HydrophobicContact CG1-CG2 3.81Å; V263-V294 HydrophobicContact CB-CG2 4.45Å; V263-V294 HydrophobicContact CG1-CG2 3.85Å; L290-V294 WeakPolarHBondContact O-CB 3.44Å; L290-V294 WeakPolarHBondContact O-CG2 3.48Å; L290-V294 PolarHBondContact O-N 2.68Å; K291-V294 PolarHBondContact O-N 3.4Å; D292-V294 VanDerWaalsContact C-N 3.33Å; D292-V294 PolarHBondContact O-N 2.97Å; V294-N296 PolarHBondContact O-N 3.27Å; V294-I297 HydrophobicContact CB-CD1 4.33Å; V294-I297 HydrophobicContact CG1-CD1 4.32Å; V294-I297 HydrophobicContact CG2-CD1 4.27Å; V294-I297 WeakPolarHBondContact O-CG1 2.91Å; V294-I297 PolarHBondContact O-N 3.04Å
295Q89.4Confident89.6Confident80 Ų8054.6 Ų54.637%0.37429%0.288SS..Hα-helixtrans-63.1-27.4178.3-66.5-55.8-2900113R245 S249 K291 D292 A293R245-Q295 PolarHBondContact NE-O 2.87Å; R245-Q295 PolarHBondContact NH1-O 3.15Å; S249-Q295 PolarHBondContact OG-NE2 3.38Å; K291-Q295 WeakPolarHBondContact O-CG 3.31Å; K291-Q295 PolarHBondContact O-N 2.81Å; K291-Q295 VanDerWaalsContact O-N 3.14Å; D292-Q295 PolarHBondContact O-N 3.49Å; A293-Q295 VanDerWaalsContact C-N 3.35Å; A293-Q295 PolarHBondContact O-N 3.35Å
296N90.9Very high89.9Confident130 Ų13053.2 Ų53.270%0.69529%0.287SS*.THydrogen-bonded Turntrans-86.1-3.4-178.6-71-26.7000114.8A293 V294 T298A293-N296 PolarHBondContact O-N 3.36Å; V294-N296 PolarHBondContact O-N 3.27Å; N296-T298 PolarHBondContact O-N 2.98Å
297I89.6Confident89.9Confident8 Ų857.2 Ų57.24%0.04130%0.303CS..  trans-63.6133-178.7-64.5171000111V230 A232 L241 R245 Y265 T273 V294V230-I297 HydrophobicContact CG1-CD1 4.31Å; A232-I297 HydrophobicContact CB-CG2 4.1Å; L241-I297 HydrophobicContact CD1-CG2 4.39Å; R245-I297 PolarHBondContact NE-O 3.18Å; R245-I297 PolarHBondContact NH2-O 3.01Å; Y265-I297 HydrophobicContact CD2-CG2 4.43Å; Y265-I297 HydrophobicContact CG-CG2 4.43Å; T273-I297 HydrophobicContact CG2-CD1 3.72Å; T273-I297 HydrophobicContact CG2-CG1 4.23Å; V294-I297 HydrophobicContact CB-CD1 4.33Å; V294-I297 HydrophobicContact CG1-CD1 4.32Å; V294-I297 HydrophobicContact CG2-CD1 4.27Å; V294-I297 WeakPolarHBondContact O-CG1 2.91Å; V294-I297 PolarHBondContact O-N 3.04Å
298T90.4Very high90Very high86 Ų8656.8 Ų56.853%0.52830%0.302SS..  trans-115.9132.4174.956.70000112.2N296N296-T298 PolarHBondContact O-N 2.98Å
299A90.6Very high90.3Very high19 Ų1950.3 Ų50.316%0.15727%0.274CS..  trans-79.8117.3-178.600000111.9A232 S233 V236 L241A232-A299 CarbonylContact O-C 3.57Å; A232-A299 WeakPolarHBondContact O-CA 3.11Å; S233-A299 VanDerWaalsContact O-CB 3.31Å; S233-A299 WeakPolarHBondContact O-CB 3.39Å; V236-A299 HydrophobicContact CG2-CB 3.89Å; L241-A299 HydrophobicContact CD2-CB 3.77Å
300K89.6Confident90.5Very high146 Ų14651.2 Ų51.264%0.63528%0.277SS*.  trans-156.2143.4177-64.3-174.3-177.2173.40111.1A232 N267A232-K300 PolarHBondContact O-N 3.11Å; A232-K300 VanDerWaalsContact O-O 3.13Å; N267-K300 VanDerWaalsContact CB-O 3.24Å; N267-K300 WeakPolarHBondContact CB-O 3.49Å; N267-K300 PolarHBondContact ND2-O 3.45Å
301G88.6Confident90.5Very high45 Ų4553.4 Ų53.446%0.46429%0.286SS..SBendtrans96.5-165.7170.900000114.2G234G234-G301 PolarHBondContact N-O 3.49Å
302I87.8Confident90.6Very high134 Ų13452.1 Ų52.169%0.68728%0.281SS*.  trans-103.5148.4-177.3-54170.1000109.3N267 T268N267-I302 CarbonylContact C-O 3.53Å; N267-I302 WeakPolarHBondContact CA-O 3.5Å; T268-I302 HydrophobicContact CG2-CB 4.41Å; T268-I302 PolarHBondContact N-O 2.89Å; T268-I302 VanDerWaalsContact N-O 3.14Å
303T87.8Confident90.8Very high42 Ų4248.1 Ų48.126%0.25826%0.259SS..  trans-72.9135.2176.3-41.90000111.7D231 S233 F266 Y305D231-T303 WeakPolarHBondContact OD2-CG2 3.3Å; S233-T303 WeakPolarHBondContact CB-OG1 3.32Å; S233-T303 PolarHBondContact OG-OG1 2.9Å; F266-T303 HydrophobicContact CE2-CG2 3.8Å; T303-Y305 HydrophobicContact CG2-CD1 4.39Å; T303-Y305 HydrophobicContact CG2-CD2 4.26Å; T303-Y305 HydrophobicContact CG2-CE1 3.94Å; T303-Y305 HydrophobicContact CG2-CE2 3.8Å
304N90.8Very high90.8Very high46 Ų4652.1 Ų52.125%0.24628%0.275CS..  trans-138.693.7172.8-170.8-40000110.6F266 N267 T306 K307 G308F266-N304 WeakPolarHBondContact CD2-O 3.44Å; N267-N304 WeakPolarHBondContact O-CB 3.37Å; N267-N304 PolarHBondContact O-N 2.92Å; N304-T306 PolarHBondContact O-N 2.92Å; N304-T306 PolarHBondContact OD1-N 3.49Å; N304-K307 PolarHBondContact OD1-N 2.99Å; N304-K307 VanDerWaalsContact OD1-N 3.08Å; N304-G308 PolarHBondContact O-N 2.03Å
305Y90.5Very high90.7Very high7 Ų753.4 Ų53.43%0.02728%0.28CS..Hα-helixtrans-64.9-38.4-178.6-69-61.4000112.8F266 T303 K307 G308 F309 L332 T334 G336 E339 M374F266-Y305 AromaticContact CE2-CD1 3.93Å; F266-Y305 HydrophobicContact CE2-CD1 3.93Å; F266-Y305 HydrophobicContact CE2-CE1 4.14Å; F266-Y305 AromaticContact CZ-CD1 3.78Å; F266-Y305 HydrophobicContact CZ-CD1 3.78Å; F266-Y305 AromaticContact CZ-CE1 3.79Å; F266-Y305 HydrophobicContact CZ-CE1 3.79Å; T303-Y305 HydrophobicContact CG2-CD1 4.39Å; T303-Y305 HydrophobicContact CG2-CD2 4.26Å; T303-Y305 HydrophobicContact CG2-CE1 3.94Å; T303-Y305 HydrophobicContact CG2-CE2 3.8Å; Y305-K307 PolarHBondContact O-N 2.87Å; Y305-G308 PolarHBondContact O-N 3.38Å; Y305-G308 VanDerWaalsContact O-N 3.16Å; Y305-F309 HydrophobicContact CD1-CE2 4.46Å; Y305-F309 WeakPolarHBondContact O-CD2 3.39Å; Y305-F309 PolarHBondContact O-N 3.13Å; Y305-L332 HydrophobicContact CD1-CD2 4.04Å; Y305-L332 HydrophobicContact CE1-CD1 4.22Å; Y305-L332 HydrophobicContact CE1-CD2 3.74Å; Y305-T334 PolarHBondContact OH-OG1 3.42Å; Y305-G336 PolarHBondContact OH-O 3.45Å; Y305-E339 HydrophobicContact CD2-CB 4.45Å; Y305-M374 HydrophobicContact CD2-CE 4.46Å; Y305-M374 HydrophobicContact CG-CE 4.36Å
306T91Very high90.6Very high34 Ų3449.6 Ų49.621%0.20926%0.263CS..Hα-helixtrans-55.4-49.7-178.6-63.20000111.7N304 E310 E339 I344N304-T306 PolarHBondContact O-N 2.92Å; N304-T306 PolarHBondContact OD1-N 3.49Å; T306-E310 WeakPolarHBondContact O-CB 3.48Å; T306-E310 PolarHBondContact O-N 2.79Å; T306-E339 PolarHBondContact OG1-OE1 3.29Å; T306-I344 HydrophobicContact CG2-CD1 3.86Å; T306-I344 HydrophobicContact CG2-CG1 3.61Å
307K90.8Very high90.4Very high95 Ų9548.6 Ų48.641%0.41325%0.25SS..Hα-helixtrans-69-37.6177.6-69.4-174-178.91800112.9T268 V270 N304 Y305 F311T268-K307 PolarHBondContact O-NZ 2.83Å; V270-K307 HydrophobicContact CG2-CB 4.03Å; V270-K307 WeakPolarHBondContact CG2-O 3.42Å; N304-K307 PolarHBondContact OD1-N 2.99Å; N304-K307 VanDerWaalsContact OD1-N 3.08Å; Y305-K307 PolarHBondContact O-N 2.87Å; K307-F311 PolarHBondContact O-N 3.12Å; K307-F311 VanDerWaalsContact O-N 3.11Å
308G91.8Very high90Very high1 Ų150.4 Ų50.41%0.0126%0.264CS..Hα-helixtrans-60.2-48.6177.900000111.8N304 Y305 A312N304-G308 PolarHBondContact O-N 2.03Å; Y305-G308 PolarHBondContact O-N 3.38Å; Y305-G308 VanDerWaalsContact O-N 3.16Å; G308-A312 WeakPolarHBondContact O-CB 3.49Å; G308-A312 PolarHBondContact O-N 2.83Å
309F93.1Very high89.2Confident1 Ų152.2 Ų52.20%0.00428%0.275CS..Hα-helixtrans-70.9-37.4177.7-78.9-70.1000113.2L229 Y305 F311 A312 F313 I330 L332 A341 I344 I356 M374L229-F309 HydrophobicContact CD1-CD1 4.13Å; L229-F309 HydrophobicContact CD1-CE1 4.14Å; Y305-F309 HydrophobicContact CD1-CE2 4.46Å; Y305-F309 WeakPolarHBondContact O-CD2 3.39Å; Y305-F309 PolarHBondContact O-N 3.13Å; F309-F311 PolarHBondContact O-N 2.72Å; F309-A312 WeakPolarHBondContact O-CB 3.48Å; F309-A312 PolarHBondContact O-N 2.99Å; F309-A312 VanDerWaalsContact O-N 3.15Å; F309-F313 HydrophobicContact CB-CD2 4.47Å; F309-F313 HydrophobicContact CB-CE2 4.25Å; F309-F313 HydrophobicContact CD1-CE2 4.42Å; F309-F313 WeakPolarHBondContact O-CD2 3.44Å; F309-F313 PolarHBondContact O-N 3.3Å; F309-I330 HydrophobicContact CD1-CD1 4.32Å; F309-I330 HydrophobicContact CD1-CG2 4.42Å; F309-I330 HydrophobicContact CE1-CG2 4.02Å; F309-L332 HydrophobicContact CE2-CD2 4.22Å; F309-L332 HydrophobicContact CZ-CD2 4.06Å; F309-A341 HydrophobicContact CD2-CB 4.34Å; F309-I344 HydrophobicContact CB-CG2 3.88Å; F309-I356 HydrophobicContact CD1-CD1 4.45Å; F309-I356 HydrophobicContact CE1-CD1 4.01Å; F309-I356 HydrophobicContact CE1-CG1 4.41Å; F309-I356 HydrophobicContact CE1-CG2 4.03Å; F309-I356 HydrophobicContact CZ-CG2 4.2Å; F309-M374 HydrophobicContact CE2-CE 4.49Å; F309-M374 HydrophobicContact CE2-SD 3.73Å; F309-M374 HydrophobicContact CZ-SD 3.99Å
310E93.2Very high88.6Confident70 Ų7058.6 Ų58.633%0.32731%0.306SS..Hα-helixtrans-56.8-50.2175.2-177.4170.5-139.800111.1T306 A312 F313 E314T306-E310 WeakPolarHBondContact O-CB 3.48Å; T306-E310 PolarHBondContact O-N 2.79Å; E310-A312 VanDerWaalsContact C-N 3.3Å; E310-A312 PolarHBondContact O-N 2.84Å; E310-F313 PolarHBondContact O-N 3Å; E310-E314 WeakPolarHBondContact O-CG 3.22Å; E310-E314 PolarHBondContact O-N 3.03Å; E310-E314 VanDerWaalsContact O-N 3.11Å
311F92.4Very high88.2Confident45 Ų4553.8 Ų53.820%0.19729%0.289CS..Hα-helixtrans-61.2-39.7175.1-174.1-94.7000112.3V264 V270 N272 K307 F309 F313 E314 Q315V264-F311 HydrophobicContact CB-CE1 4.45Å; V264-F311 HydrophobicContact CG1-CD1 3.88Å; V264-F311 HydrophobicContact CG1-CE1 3.88Å; V264-F311 HydrophobicContact CG2-CD1 4.21Å; V264-F311 HydrophobicContact CG2-CE1 3.7Å; V270-F311 HydrophobicContact CB-CB 4.36Å; V270-F311 HydrophobicContact CB-CG 4.37Å; V270-F311 HydrophobicContact CG1-CB 3.93Å; V270-F311 HydrophobicContact CG1-CD1 3.68Å; V270-F311 HydrophobicContact CG1-CD2 4.25Å; V270-F311 HydrophobicContact CG1-CE1 4.23Å; V270-F311 HydrophobicContact CG1-CG 3.68Å; V270-F311 HydrophobicContact CG2-CB 4.23Å; N272-F311 WeakPolarHBondContact OD1-CE1 3.49Å; N272-F311 WeakPolarHBondContact OD1-CZ 3.27Å; K307-F311 PolarHBondContact O-N 3.12Å; K307-F311 VanDerWaalsContact O-N 3.11Å; F309-F311 PolarHBondContact O-N 2.72Å; F311-F313 PolarHBondContact O-N 2.85Å; F311-E314 PolarHBondContact O-N 3.43Å; F311-Q315 HydrophobicContact CD1-CG 3.9Å; F311-Q315 HydrophobicContact CE1-CG 3.52Å; F311-Q315 HydrophobicContact CZ-CG 3.94Å; F311-Q315 WeakPolarHBondContact O-CG 2.95Å; F311-Q315 PolarHBondContact O-N 2.88Å
312A92.8Very high87.9Confident0 Ų053.8 Ų53.80%028%0.281CS..Hα-helixtrans-61.6-43.3179.800000113.1L227 L229 G308 F309 E310 Q315 L316 I330L227-A312 HydrophobicContact CD2-CB 3.31Å; L229-A312 HydrophobicContact CD1-CB 3.98Å; L229-A312 HydrophobicContact CD2-CB 4.28Å; L229-A312 HydrophobicContact CG-CB 4.39Å; G308-A312 WeakPolarHBondContact O-CB 3.49Å; G308-A312 PolarHBondContact O-N 2.83Å; F309-A312 WeakPolarHBondContact O-CB 3.48Å; F309-A312 PolarHBondContact O-N 2.99Å; F309-A312 VanDerWaalsContact O-N 3.15Å; E310-A312 VanDerWaalsContact C-N 3.3Å; E310-A312 PolarHBondContact O-N 2.84Å; A312-Q315 PolarHBondContact O-N 2.98Å; A312-L316 WeakPolarHBondContact O-CG 3.25Å; A312-L316 PolarHBondContact O-N 2.51Å; A312-I330 HydrophobicContact CB-CD1 3.84Å; A312-I330 HydrophobicContact CB-CG1 4.37Å; A312-I330 HydrophobicContact CB-CG2 4.44Å
313F92.8Very high87.8Confident0 Ų049 Ų490%026%0.255CS..Hα-helixtrans-67.5-40.7176-73-63.5000111.6F309 E310 F311 Q315 L316 Y317 I330 I344 L345 Y348 N349 V354 I356F309-F313 HydrophobicContact CB-CD2 4.47Å; F309-F313 HydrophobicContact CB-CE2 4.25Å; F309-F313 HydrophobicContact CD1-CE2 4.42Å; F309-F313 WeakPolarHBondContact O-CD2 3.44Å; F309-F313 PolarHBondContact O-N 3.3Å; E310-F313 PolarHBondContact O-N 3Å; F311-F313 PolarHBondContact O-N 2.85Å; F313-Q315 VanDerWaalsContact C-N 3.29Å; F313-Q315 PolarHBondContact O-N 3.02Å; F313-L316 CarbonylContact O-C 3.59Å; F313-L316 PolarHBondContact O-N 3.19Å; F313-Y317 HydrophobicContact CB-CD2 4.2Å; F313-Y317 HydrophobicContact CB-CE2 4.21Å; F313-Y317 HydrophobicContact CD1-CE2 4.1Å; F313-Y317 WeakPolarHBondContact O-CB 3.43Å; F313-Y317 WeakPolarHBondContact O-CD2 3.41Å; F313-Y317 PolarHBondContact O-N 3.06Å; F313-I330 HydrophobicContact CD1-CD1 4.23Å; F313-I330 HydrophobicContact CE1-CD1 3.92Å; F313-I330 HydrophobicContact CE2-CD1 4.49Å; F313-I330 HydrophobicContact CZ-CD1 4.05Å; F313-I344 HydrophobicContact CD2-CG2 4.02Å; F313-I344 HydrophobicContact CE2-CG2 4.04Å; F313-L345 HydrophobicContact CE2-CD2 4.2Å; F313-L345 HydrophobicContact CZ-CD2 4.15Å; F313-Y348 HydrophobicContact CB-CD1 3.66Å; F313-Y348 HydrophobicContact CB-CE1 4.22Å; F313-Y348 HydrophobicContact CB-CG 3.86Å; F313-Y348 HydrophobicContact CD2-CD2 4.12Å; F313-Y348 AromaticContact CD2-CG 3.84Å; F313-Y348 HydrophobicContact CD2-CG 3.84Å; F313-Y348 HydrophobicContact CG-CD1 4.15Å; F313-Y348 AromaticContact CG-CG 3.86Å; F313-Y348 HydrophobicContact CG-CG 3.86Å; F313-N349 HydrophobicContact CE1-CB 3.97Å; F313-N349 HydrophobicContact CZ-CB 3.94Å; F313-V354 HydrophobicContact CD1-CG2 4.36Å; F313-V354 HydrophobicContact CE1-CB 4.02Å; F313-V354 HydrophobicContact CE1-CG1 4.12Å; F313-V354 HydrophobicContact CE1-CG2 4.02Å; F313-I356 HydrophobicContact CZ-CD1 4.26Å
314E90.6Very high87.7Confident105 Ų10548.3 Ų48.349%0.49125%0.253SS..Hα-helixtrans-57.4-43.2175.4-72.3179.4170.200112E310 F311 Y317 S318E310-E314 WeakPolarHBondContact O-CG 3.22Å; E310-E314 PolarHBondContact O-N 3.03Å; E310-E314 VanDerWaalsContact O-N 3.11Å; F311-E314 PolarHBondContact O-N 3.43Å; E314-Y317 PolarHBondContact O-N 3.05Å; E314-S318 PolarHBondContact O-N 2.93Å
315Q89.8Confident87.5Confident27 Ų2751.4 Ų51.413%0.12627%0.27CS..Hα-helixtrans-62.3-45.7174.8-71.6-69.2-40.600112.1L227 D277 F311 A312 F313 Y317 S318L227-Q315 HydrophobicContact CD1-CB 4.43Å; L227-Q315 HydrophobicContact CD2-CB 4.44Å; D277-Q315 PolarHBondContact O-NE2 2.84Å; D277-Q315 PolarHBondContact O-OE1 3.33Å; D277-Q315 VanDerWaalsContact O-OE1 3.05Å; F311-Q315 HydrophobicContact CD1-CG 3.9Å; F311-Q315 HydrophobicContact CE1-CG 3.52Å; F311-Q315 HydrophobicContact CZ-CG 3.94Å; F311-Q315 WeakPolarHBondContact O-CG 2.95Å; F311-Q315 PolarHBondContact O-N 2.88Å; A312-Q315 PolarHBondContact O-N 2.98Å; F313-Q315 VanDerWaalsContact C-N 3.29Å; F313-Q315 PolarHBondContact O-N 3.02Å; Q315-Y317 VanDerWaalsContact C-N 3.29Å; Q315-Y317 PolarHBondContact O-N 3.4Å; Q315-S318 PolarHBondContact O-N 3.48Å
316L88.7Confident87.4Confident1 Ų151.4 Ų51.41%0.00527%0.271CS..Hα-helixtrans-73.5-14-179.6-75.7171.6000114.6D225 L279 A312 F313 R323 K328 I330 V354D225-L316 HydrophobicContact CB-CD2 4.26Å; L279-L316 HydrophobicContact CD1-CD2 4.04Å; A312-L316 WeakPolarHBondContact O-CG 3.25Å; A312-L316 PolarHBondContact O-N 2.51Å; F313-L316 CarbonylContact O-C 3.59Å; F313-L316 PolarHBondContact O-N 3.19Å; L316-R323 VanDerWaalsContact O-CZ 3.28Å; L316-R323 PolarHBondContact O-NH1 3.49Å; L316-R323 PolarHBondContact O-NH2 2.98Å; L316-K328 HydrophobicContact CD2-CB 4.46Å; L316-I330 HydrophobicContact CD1-CD1 3.75Å; L316-I330 HydrophobicContact CD1-CG1 3.38Å; L316-V354 HydrophobicContact CD1-CG1 3.86Å; L316-V354 HydrophobicContact CD1-CG2 4.47Å
317Y85.9Confident87.5Confident109 Ų10949.9 Ų49.943%0.42726%0.261SS..Hα-helixtrans-101.4-6175.1-74.6-63.2000113.7F313 E314 Q315 T319 Y348F313-Y317 HydrophobicContact CB-CD2 4.2Å; F313-Y317 HydrophobicContact CB-CE2 4.21Å; F313-Y317 HydrophobicContact CD1-CE2 4.1Å; F313-Y317 WeakPolarHBondContact O-CB 3.43Å; F313-Y317 WeakPolarHBondContact O-CD2 3.41Å; F313-Y317 PolarHBondContact O-N 3.06Å; E314-Y317 PolarHBondContact O-N 3.05Å; Q315-Y317 VanDerWaalsContact C-N 3.29Å; Q315-Y317 PolarHBondContact O-N 3.4Å; Y317-T319 PolarHBondContact O-N 3.18Å; Y317-Y348 HydrophobicContact CE2-CD1 4.24Å; Y317-Y348 PolarHBondContact OH-O 2.99Å
318S81.6Confident87.6Confident46 Ų4647.6 Ų47.632%0.32225%0.251SS..  trans-62.2126.2174.2-174.90000111.5E314 Q315 R323E314-S318 PolarHBondContact O-N 2.93Å; Q315-S318 PolarHBondContact O-N 3.48Å; S318-R323 PolarHBondContact O-NH1 3.32Å
319T73Confident87.7Confident124 Ų12447.5 Ų47.576%0.76125%0.251SS*.  trans-104.1-9.8-177.352.70000114.2Y317 V321Y317-T319 PolarHBondContact O-N 3.18Å; T319-V321 PolarHBondContact O-N 3.05Å
320N77.9Confident87.9Confident153 Ų15347.5 Ų47.582%0.81825%0.25SS*.SBendtrans-825.7-170-69.1-5.9000113.9
321V80.9Confident88Confident44 Ų4444.1 Ų44.127%0.26724%0.235SC..SBendtrans-130.6150.7-172.1-162.80000109.9H278 T319H278-V321 HydrophobicContact CB-CG2 3.99Å; H278-V321 WeakPolarHBondContact CD2-CG1 3.39Å; T319-V321 PolarHBondContact O-N 3.05Å
322S83.7Confident88.1Confident45 Ų4542 Ų4232%0.31523%0.226SC..  trans-56.2135.9167.8167.50000110.5Y260 R1025Y260-S322 WeakPolarHBondContact CD1-O 3.44Å; Y260-S322 WeakPolarHBondContact CE1-O 3.5Å; Y260-S322 PolarHBondContact OH-OG 3.12Å; S322-R1025 PolarHBondContact OG-NE 3.38Å; S322-R1025 PolarHBondContact OG-NH2 2.91Å
323R85.9Confident88.2Confident35 Ų3542 Ų4213%0.13223%0.226CC..  trans-146.4168.9-177.8-69.1-177.364170.60.5111.3D225 L316 S318 R1025D225-R323 IonicContact OD1-NE 2.69Å; D225-R323 IonicContact OD2-CZ 2.96Å; D225-R323 IonicContact OD2-NE 3.42Å; D225-R323 PolarHBondContact OD2-NE 3.26Å; D225-R323 IonicContact OD2-NH2 3.77Å; D225-R323 PolarHBondContact OD2-NH2 2.96Å; L316-R323 VanDerWaalsContact O-CZ 3.28Å; L316-R323 PolarHBondContact O-NH1 3.49Å; L316-R323 PolarHBondContact O-NH2 2.98Å; S318-R323 PolarHBondContact O-NH1 3.32Å; R323-R1025 PolarHBondContact O-NH2 2.83Å
324A83.9Confident88.2Confident27 Ų2742 Ų4222%0.22323%0.226CC..  trans-75.1-36.4166.800000110.7P223 D225 Y260 C326P223-A324 HydrophobicContact CB-CB 4.1Å; D225-A324 VanDerWaalsContact OD1-CB 3.3Å; D225-A324 WeakPolarHBondContact OD1-CB 3.37Å; D225-A324 PolarHBondContact OD1-N 2.9Å; Y260-A324 HydrophobicContact CD2-CB 4.05Å; A324-C326 PolarHBondContact O-N 3.44Å
325N87.2Confident88.1Confident111 Ų11137.2 Ų37.259%0.59420%0.203SC*.  trans52.434.7-179.1-161.537.5000113.8D225 K328D225-N325 PolarHBondContact OD1-N 3.13Å; D225-N325 PolarHBondContact OD2-N 2.84Å; N325-K328 WeakPolarHBondContact OD1-CE 3.43Å; N325-K328 PolarHBondContact OD1-NZ 3.28Å; N325-K328 VanDerWaalsContact OD1-NZ 3.1Å
326C89.3Confident87.8Confident6 Ų636.2 Ų36.24%0.04120%0.201CC..SBendtrans-113.4-114.9176.1-1780000109.1P223 A324 K328 C1031P223-C326 WeakPolarHBondContact O-CB 3.45Å; P223-C326 PolarHBondContact O-SG 2.87Å; A324-C326 PolarHBondContact O-N 3.44Å; C326-K328 PolarHBondContact O-N 3.14Å; C326-C1031 WeakPolarHBondContact CA-SG 3.27Å; C326-C1031 HydrophobicContact CB-CB 3.7Å; C326-C1031 WeakPolarHBondContact CB-SG 3.49Å; C326-C1031 WeakPolarHBondContact SG-CB 3.49Å; C326-C1031 CovalentContact SG-SG 2.01Å; C326-C1031 PolarHBondContact SG-SG 2.91Å
327N91.8Very high87.3Confident2 Ų236.5 Ų36.51%0.01120%0.204CC..EExtended strand (participates in β ladder)trans-63.4123.1175.9-73.9-47.8000111.3S222 P223 K224 D225 I329 D1033S222-N327 PolarHBondContact O-ND2 3.43Å; S222-N327 PolarHBondContact OG-ND2 2.89Å; P223-N327 PolarHBondContact O-N 2.78Å; K224-N327 CarbonylContact C-O 3.57Å; K224-N327 WeakPolarHBondContact CA-O 3.45Å; K224-N327 HydrophobicContact CB-CB 3.72Å; D225-N327 PolarHBondContact N-O 3.33Å; N327-I329 HydrophobicContact CB-CG2 4.4Å; N327-D1033 VanDerWaalsContact OD1-CA 3.22Å; N327-D1033 WeakPolarHBondContact OD1-CA 3.28Å; N327-D1033 WeakPolarHBondContact OD1-CB 3.43Å
328K93.6Very high86.8Confident47 Ų4740.1 Ų40.120%0.20423%0.225CC..EExtended strand (participates in β ladder)trans-104.3115.2174.3-67.3175.9-172.7177.50109.6D225 L316 N325 C326 V354 R355D225-K328 HydrophobicContact CB-CG 4.42Å; L316-K328 HydrophobicContact CD2-CB 4.46Å; N325-K328 WeakPolarHBondContact OD1-CE 3.43Å; N325-K328 PolarHBondContact OD1-NZ 3.28Å; N325-K328 VanDerWaalsContact OD1-NZ 3.1Å; C326-K328 PolarHBondContact O-N 3.14Å; K328-V354 HydrophobicContact CB-CG2 4.18Å; K328-V354 WeakPolarHBondContact O-CA 3.5Å; K328-R355 PolarHBondContact O-N 2.7Å
329I94.3Very high86.9Confident0 Ų042.5 Ų42.50%023%0.231CC..EExtended strand (participates in β ladder)trans-132.3141.1-172.470.5-179.7000112.2K224 D225 M226 L227 N327 M331 R355 F357 L402K224-I329 HydrophobicContact CB-CD1 4.38Å; K224-I329 HydrophobicContact CD-CD1 3.98Å; K224-I329 HydrophobicContact CG-CD1 4.29Å; D225-I329 PolarHBondContact O-N 3.32Å; M226-I329 HydrophobicContact CB-CD1 3.88Å; M226-I329 HydrophobicContact CB-CG1 3.67Å; M226-I329 HydrophobicContact CG-CD1 3.88Å; M226-I329 HydrophobicContact CG-CG1 3.81Å; M226-I329 HydrophobicContact SD-CD1 3.93Å; L227-I329 PolarHBondContact N-O 3.38Å; N327-I329 HydrophobicContact CB-CG2 4.4Å; I329-M331 HydrophobicContact CD1-CE 3.7Å; I329-R355 WeakPolarHBondContact CA-O 3.37Å; I329-R355 HydrophobicContact CG2-CB 4.15Å; I329-F357 HydrophobicContact CB-CD2 4.46Å; I329-F357 HydrophobicContact CB-CE2 4.25Å; I329-F357 HydrophobicContact CG2-CE2 4.14Å; I329-L402 HydrophobicContact CD1-CD1 4.34Å; I329-L402 HydrophobicContact CG2-CD2 3.99Å
330I96.1Very high87.4Confident0 Ų042.2 Ų42.20%022%0.215CC..EExtended strand (participates in β ladder)trans-116.8128.9170.5-58170.3000107.5L227 L229 F309 A312 F313 L316 V354 R355 I356 F357L227-I330 WeakPolarHBondContact O-CA 3.17Å; L229-I330 HydrophobicContact CD1-CG2 3.53Å; L229-I330 HydrophobicContact CG-CG2 4.01Å; F309-I330 HydrophobicContact CD1-CD1 4.32Å; F309-I330 HydrophobicContact CD1-CG2 4.42Å; F309-I330 HydrophobicContact CE1-CG2 4.02Å; A312-I330 HydrophobicContact CB-CD1 3.84Å; A312-I330 HydrophobicContact CB-CG1 4.37Å; A312-I330 HydrophobicContact CB-CG2 4.44Å; F313-I330 HydrophobicContact CD1-CD1 4.23Å; F313-I330 HydrophobicContact CE1-CD1 3.92Å; F313-I330 HydrophobicContact CE2-CD1 4.49Å; F313-I330 HydrophobicContact CZ-CD1 4.05Å; L316-I330 HydrophobicContact CD1-CD1 3.75Å; L316-I330 HydrophobicContact CD1-CG1 3.38Å; I330-V354 HydrophobicContact CD1-CG1 3.81Å; I330-V354 HydrophobicContact CG1-CG1 3.8Å; I330-R355 PolarHBondContact N-O 2.63Å; I330-I356 HydrophobicContact CB-CG1 4.27Å; I330-I356 HydrophobicContact CD1-CG1 4.47Å; I330-I356 WeakPolarHBondContact O-CA 3.49Å; I330-F357 PolarHBondContact O-N 2.87Å
331M95.4Very high87.7Confident0 Ų035 Ų350%018%0.177CC..EExtended strand (participates in β ladder)trans-115.8121175-61.6-151-171.800110.4M226 L227 L229 M251 I329 F333 F357 F359 Y398M226-M331 HydrophobicContact CE-CB 4.12Å; M226-M331 HydrophobicContact CE-CE 3.5Å; M226-M331 VanDerWaalsContact CE-CE 3.5Å; M226-M331 HydrophobicContact CE-CG 3.61Å; M226-M331 HydrophobicContact CE-SD 3.19Å; M226-M331 WeakPolarHBondContact CE-SD 3.49Å; M226-M331 HydrophobicContact SD-CE 3.83Å; M226-M331 HydrophobicContact SD-SD 4.3Å; L227-M331 PolarHBondContact O-N 3.28Å; L229-M331 PolarHBondContact N-O 2.96Å; M251-M331 HydrophobicContact CE-CE 4.4Å; M251-M331 HydrophobicContact CE-SD 3.64Å; M251-M331 HydrophobicContact CG-SD 4.38Å; M251-M331 HydrophobicContact SD-CE 4.14Å; M251-M331 HydrophobicContact SD-SD 3.9Å; I329-M331 HydrophobicContact CD1-CE 3.7Å; M331-F333 HydrophobicContact CB-CE2 4.27Å; M331-F357 CarbonylContact C-O 2.88Å; M331-F357 WeakPolarHBondContact CA-O 3.26Å; M331-F357 HydrophobicContact CE-CD2 4.25Å; M331-F357 HydrophobicContact CG-CB 4.07Å; M331-F357 HydrophobicContact CG-CD2 4.26Å; M331-F357 HydrophobicContact SD-CB 4.46Å; M331-F359 HydrophobicContact CB-CE2 4.12Å; M331-F359 HydrophobicContact CG-CE2 4.3Å; M331-F359 HydrophobicContact SD-CE2 3.65Å; M331-F359 HydrophobicContact SD-CZ 3.97Å; M331-Y398 HydrophobicContact CE-CD1 3.96Å; M331-Y398 HydrophobicContact CE-CD2 3.47Å; M331-Y398 VanDerWaalsContact CE-CD2 3.47Å; M331-Y398 HydrophobicContact CE-CE1 4.23Å; M331-Y398 HydrophobicContact CE-CE2 3.77Å; M331-Y398 HydrophobicContact CE-CG 3.57Å
332L95.4Very high88Confident0 Ų037.4 Ų37.40%019%0.185CC..EExtended strand (participates in β ladder)trans-105.1122.4-179.9172.565.1000110.8L229 F266 Y305 F309 T334 F357 T358 F359 M374L229-L332 HydrophobicContact CB-CD1 3.97Å; L229-L332 WeakPolarHBondContact O-CA 3.46Å; F266-L332 HydrophobicContact CE1-CD1 3.58Å; F266-L332 HydrophobicContact CZ-CD1 3.68Å; Y305-L332 HydrophobicContact CD1-CD2 4.04Å; Y305-L332 HydrophobicContact CE1-CD1 4.22Å; Y305-L332 HydrophobicContact CE1-CD2 3.74Å; F309-L332 HydrophobicContact CE2-CD2 4.22Å; F309-L332 HydrophobicContact CZ-CD2 4.06Å; L332-T334 HydrophobicContact CD2-CG2 4.27Å; L332-T334 HydrophobicContact CG-CG2 4.2Å; L332-F357 PolarHBondContact N-O 3.26Å; L332-T358 HydrophobicContact CB-CG2 4.37Å; L332-T358 HydrophobicContact CD2-CG2 4.33Å; L332-F359 PolarHBondContact O-N 3.27Å; L332-M374 HydrophobicContact CD2-SD 4.49Å
333F95Very high88.3Confident0 Ų039 Ų390%020%0.197CC..EExtended strand (participates in β ladder)trans-104.7117.8171.6-68.6-94.8000110.3I228 L229 D231 I244 V248 M251 M331 F359 V361 I385I228-F333 HydrophobicContact CG2-CD2 3.83Å; I228-F333 HydrophobicContact CG2-CE2 3.81Å; L229-F333 PolarHBondContact O-N 3.37Å; D231-F333 VanDerWaalsContact CB-O 3.32Å; D231-F333 WeakPolarHBondContact CB-O 3.44Å; D231-F333 PolarHBondContact N-O 3.18Å; I244-F333 HydrophobicContact CG1-CB 4.37Å; I244-F333 HydrophobicContact CG2-CB 3.85Å; I244-F333 HydrophobicContact CG2-CG 4.44Å; V248-F333 HydrophobicContact CG2-CD2 3.9Å; V248-F333 HydrophobicContact CG2-CE2 4.01Å; V248-F333 HydrophobicContact CG2-CG 4.19Å; V248-F333 HydrophobicContact CG2-CZ 4.38Å; M251-F333 HydrophobicContact CE-CZ 4.07Å; M331-F333 HydrophobicContact CB-CE2 4.27Å; F333-F359 HydrophobicContact CD1-CB 3.62Å; F333-F359 HydrophobicContact CD1-CD2 4.22Å; F333-F359 AromaticContact CD1-CG 3.9Å; F333-F359 HydrophobicContact CD1-CG 3.9Å; F333-F359 HydrophobicContact CD2-CD2 4.41Å; F333-F359 HydrophobicContact CE1-CB 3.86Å; F333-F359 AromaticContact CE1-CD1 3.95Å; F333-F359 HydrophobicContact CE1-CD1 3.95Å; F333-F359 AromaticContact CE1-CD2 3.87Å; F333-F359 HydrophobicContact CE1-CD2 3.87Å; F333-F359 HydrophobicContact CE1-CE2 4.45Å; F333-F359 AromaticContact CE1-CG 3.61Å; F333-F359 HydrophobicContact CE1-CG 3.61Å; F333-F359 HydrophobicContact CE2-CD2 4.08Å; F333-F359 HydrophobicContact CE2-CE2 4.36Å; F333-F359 HydrophobicContact CG-CB 4.22Å; F333-F359 HydrophobicContact CG-CD2 4.48Å; F333-F359 HydrophobicContact CZ-CD1 4.39Å; F333-F359 AromaticContact CZ-CD2 3.8Å; F333-F359 HydrophobicContact CZ-CD2 3.8Å; F333-F359 HydrophobicContact CZ-CE2 4.03Å; F333-F359 HydrophobicContact CZ-CG 4.01Å; F333-F359 HydrophobicContact CZ-CZ 4.42Å; F333-V361 HydrophobicContact CD1-CG2 4.02Å; F333-I385 HydrophobicContact CE1-CD1 4.46Å
334T92.9Very high88.5Confident0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-150.5166-179.1-178.90000111.5D231 Y305 L332 G336 F359 S360 V361 I371D231-T334 PolarHBondContact OD2-OG1 3.18Å; Y305-T334 PolarHBondContact OH-OG1 3.42Å; L332-T334 HydrophobicContact CD2-CG2 4.27Å; L332-T334 HydrophobicContact CG-CG2 4.2Å; T334-G336 PolarHBondContact OG1-N 3.4Å; T334-G336 PolarHBondContact OG1-O 2.95Å; T334-F359 PolarHBondContact N-O 3.27Å; T334-S360 WeakPolarHBondContact O-CA 3.47Å; T334-V361 PolarHBondContact O-N 3.18Å; T334-I371 HydrophobicContact CG2-CD1 4.26Å; T334-I371 HydrophobicContact CG2-CG2 3.95Å
335D88.9Confident88.8Confident4 Ų437.1 Ų37.12%0.02119%0.186CC..SBendtrans-92.35.4170.466.2-16.5000113S235 V236 T240 H364 Y366S235-D335 WeakPolarHBondContact CB-OD2 3.26Å; S235-D335 PolarHBondContact OG-OD1 3.4Å; S235-D335 VanDerWaalsContact OG-OD1 3.08Å; S235-D335 PolarHBondContact OG-OD2 2.89Å; V236-D335 HydrophobicContact CG1-CB 3.97Å; V236-D335 PolarHBondContact N-OD2 2.97Å; T240-D335 HydrophobicContact CG2-CB 3.84Å; D335-H364 PolarHBondContact O-CD2 3.2Å; D335-H364 PolarHBondContact O-CE1 2.79Å; D335-H364 PolarHBondContact O-ND1 2.97Å; D335-H364 PolarHBondContact O-NE2 3Å; D335-Y366 HydrophobicContact CB-CD2 4.23Å; D335-Y366 WeakPolarHBondContact O-CB 3.31Å; D335-Y366 WeakPolarHBondContact OD2-CE2 3.25Å
336G82.3Confident88.9Confident7 Ų737.5 Ų37.57%0.07218%0.184CC..  trans135.2172.517700000112.5Y305 T334Y305-G336 PolarHBondContact OH-O 3.45Å; T334-G336 PolarHBondContact OG1-N 3.4Å; T334-G336 PolarHBondContact OG1-O 2.95Å
337G78.1Confident88.9Confident7 Ų743.8 Ų43.87%0.07221%0.21CC..  trans-156.4141-177.100000112.8D367 P370G337-D367 PolarHBondContact N-O 3.29Å; G337-D367 VanDerWaalsContact N-O 3.07Å; G337-P370 WeakPolarHBondContact O-CB 3.44Å; G337-P370 WeakPolarHBondContact O-CD 3.25Å; G337-P370 WeakPolarHBondContact O-CG 3.27Å
338E76.3Confident88.8Confident185 Ų18545.9 Ų45.986%0.86422%0.218SC*.SBendtrans-89-25.7173.1-64.5-177.5177.300111.9
339E84Confident88.6Confident96 Ų9644 Ų4445%0.44921%0.21SC..  trans-104.6138.8-174.9-168.5-175.817900112.3Y305 T306 M374Y305-E339 HydrophobicContact CD2-CB 4.45Å; T306-E339 PolarHBondContact OG1-OE1 3.29Å; E339-M374 WeakPolarHBondContact O-CE 3.48Å
340R82.1Confident88.2Confident117 Ų11747.5 Ų47.544%0.44224%0.24SC..  trans-93.3-4.7-178.9-70.7-178.5-175.3-178.40.9115.5Q342 P370 W373R340-Q342 PolarHBondContact O-N 3.23Å; R340-P370 HydrophobicContact CG-CB 3.65Å; R340-P370 HydrophobicContact CG-CG 4.25Å; R340-W373 HydrophobicContact CB-CE3 3.76Å; R340-W373 HydrophobicContact CB-CZ3 3.85Å; R340-W373 HydrophobicContact CG-CD2 4.43Å; R340-W373 HydrophobicContact CG-CE3 3.96Å; R340-W373 WeakPolarHBondContact O-CZ3 3.33Å
341A85.8Confident87.7Confident2 Ų253 Ų532%0.01727%0.269CS..  trans45.931.8-178.800000114.9F309 S343 I344 L345 M374F309-A341 HydrophobicContact CD2-CB 4.34Å; A341-S343 VanDerWaalsContact C-N 3.29Å; A341-S343 PolarHBondContact O-N 3.07Å; A341-I344 PolarHBondContact O-N 3.39Å; A341-I344 VanDerWaalsContact O-N 3.15Å; A341-L345 PolarHBondContact O-N 3.17Å; A341-M374 HydrophobicContact CB-CE 4.36Å
342Q86.9Confident87.4Confident94 Ų9456.5 Ų56.544%0.43928%0.284SS..Hα-helixtrans-57.5-38.6-170.4176.7172.42.500113.1R340 I344 L345 E346 W373R340-Q342 PolarHBondContact O-N 3.23Å; Q342-I344 VanDerWaalsContact C-N 3.29Å; Q342-I344 PolarHBondContact O-N 3.44Å; Q342-L345 PolarHBondContact O-N 3.17Å; Q342-E346 HydrophobicContact CG-CG 4.2Å; Q342-E346 VanDerWaalsContact CG-OE1 3.25Å; Q342-E346 WeakPolarHBondContact CG-OE1 3.41Å; Q342-E346 PolarHBondContact NE2-OE1 2.76Å; Q342-E346 WeakPolarHBondContact O-CG 3.48Å; Q342-E346 PolarHBondContact O-N 3.46Å; Q342-W373 HydrophobicContact CB-CH2 3.91Å; Q342-W373 HydrophobicContact CB-CZ3 4.31Å; Q342-W373 HydrophobicContact CG-CH2 3.86Å
343S88.6Confident87Confident79 Ų7962.4 Ų62.455%0.55231%0.31SS*.Hα-helixtrans-61.5-33-17955.60000113.7A341 K347A341-S343 VanDerWaalsContact C-N 3.29Å; A341-S343 PolarHBondContact O-N 3.07Å; S343-K347 VanDerWaalsContact O-CB 3.3Å; S343-K347 WeakPolarHBondContact O-CB 3.28Å; S343-K347 PolarHBondContact O-N 3.11Å
344I90.6Very high86.8Confident14 Ų1462.5 Ų62.57%0.07231%0.31CS..Hα-helixtrans-77.6-42.9178-62.2-59.7000110.3T306 F309 F313 A341 Q342 E346 K347 Y348T306-I344 HydrophobicContact CG2-CD1 3.86Å; T306-I344 HydrophobicContact CG2-CG1 3.61Å; F309-I344 HydrophobicContact CB-CG2 3.88Å; F313-I344 HydrophobicContact CD2-CG2 4.02Å; F313-I344 HydrophobicContact CE2-CG2 4.04Å; A341-I344 PolarHBondContact O-N 3.39Å; A341-I344 VanDerWaalsContact O-N 3.15Å; Q342-I344 VanDerWaalsContact C-N 3.29Å; Q342-I344 PolarHBondContact O-N 3.44Å; I344-E346 PolarHBondContact O-N 3.2Å; I344-K347 PolarHBondContact O-N 3.34Å; I344-Y348 HydrophobicContact CG2-CD2 3.82Å; I344-Y348 HydrophobicContact CG2-CE2 4.3Å; I344-Y348 WeakPolarHBondContact O-CD2 3.23Å; I344-Y348 PolarHBondContact O-N 3.33Å
345L89.4Confident86.8Confident9 Ų963 Ų635%0.04731%0.312CS..Hα-helixtrans-62.9-43.8179.7-63.3174.3000111.5F313 A341 Q342 K347 N349 I356 W373 M374F313-L345 HydrophobicContact CE2-CD2 4.2Å; F313-L345 HydrophobicContact CZ-CD2 4.15Å; A341-L345 PolarHBondContact O-N 3.17Å; Q342-L345 PolarHBondContact O-N 3.17Å; L345-K347 VanDerWaalsContact C-N 3.32Å; L345-K347 PolarHBondContact O-N 3.14Å; L345-N349 CarbonylContact O-C 3.59Å; L345-N349 WeakPolarHBondContact O-CA 3.34Å; L345-N349 PolarHBondContact O-N 3.32Å; L345-I356 HydrophobicContact CD2-CD1 3.29Å; L345-W373 HydrophobicContact CD1-CZ3 3.97Å; L345-M374 HydrophobicContact CD1-CG 4.24Å
346E89.4Confident87.1Confident119 Ų11962.8 Ų62.856%0.55631%0.311SS*.Hα-helixtrans-66.1-33175.6-71.3175.9178.400112.6Q342 I344Q342-E346 HydrophobicContact CG-CG 4.2Å; Q342-E346 VanDerWaalsContact CG-OE1 3.25Å; Q342-E346 WeakPolarHBondContact CG-OE1 3.41Å; Q342-E346 PolarHBondContact NE2-OE1 2.76Å; Q342-E346 WeakPolarHBondContact O-CG 3.48Å; Q342-E346 PolarHBondContact O-N 3.46Å; I344-E346 PolarHBondContact O-N 3.2Å
347K90.4Very high87.7Confident137 Ų13762.5 Ų62.560%0.59631%0.308SS*.Hα-helixtrans-74.7-46179.5-178.7-173.9172.9-156.40112.7S343 I344 L345S343-K347 VanDerWaalsContact O-CB 3.3Å; S343-K347 WeakPolarHBondContact O-CB 3.28Å; S343-K347 PolarHBondContact O-N 3.11Å; I344-K347 PolarHBondContact O-N 3.34Å; L345-K347 VanDerWaalsContact C-N 3.32Å; L345-K347 PolarHBondContact O-N 3.14Å
348Y88.5Confident88.4Confident47 Ų4762.1 Ų62.118%0.18430%0.304CS..Hα-helixtrans-98.9-22.9-170.6-75.2-85.7000114.3F313 Y317 I344F313-Y348 HydrophobicContact CB-CD1 3.66Å; F313-Y348 HydrophobicContact CB-CE1 4.22Å; F313-Y348 HydrophobicContact CB-CG 3.86Å; F313-Y348 HydrophobicContact CD2-CD2 4.12Å; F313-Y348 AromaticContact CD2-CG 3.84Å; F313-Y348 HydrophobicContact CD2-CG 3.84Å; F313-Y348 HydrophobicContact CG-CD1 4.15Å; F313-Y348 AromaticContact CG-CG 3.86Å; F313-Y348 HydrophobicContact CG-CG 3.86Å; Y317-Y348 HydrophobicContact CE2-CD1 4.24Å; Y317-Y348 PolarHBondContact OH-O 2.99Å; I344-Y348 HydrophobicContact CG2-CD2 3.82Å; I344-Y348 HydrophobicContact CG2-CE2 4.3Å; I344-Y348 WeakPolarHBondContact O-CD2 3.23Å; I344-Y348 PolarHBondContact O-N 3.33Å
349N89.8Confident89.2Confident6 Ų653.3 Ų53.33%0.03226%0.263CS..  trans-134.337.8-172.6-161.835.9000113.3F313 L345 D351 K352 K353 V354 N378F313-N349 HydrophobicContact CE1-CB 3.97Å; F313-N349 HydrophobicContact CZ-CB 3.94Å; L345-N349 CarbonylContact O-C 3.59Å; L345-N349 WeakPolarHBondContact O-CA 3.34Å; L345-N349 PolarHBondContact O-N 3.32Å; N349-D351 PolarHBondContact O-N 2.9Å; N349-K352 PolarHBondContact O-N 3.26Å; N349-K352 VanDerWaalsContact OD1-CA 3.31Å; N349-K352 WeakPolarHBondContact OD1-CA 3.39Å; N349-K353 PolarHBondContact OD1-N 3.06Å; N349-V354 PolarHBondContact ND2-O 3.45Å; N349-V354 PolarHBondContact OD1-N 3.31Å; N349-N378 PolarHBondContact ND2-OD1 2.7Å
350A86.6Confident89.7Confident75 Ų7548.9 Ų48.962%0.6224%0.243SC*.THydrogen-bonded Turntrans-57.2-38.5176.300000112.8K352A350-K352 PolarHBondContact O-N 3.4Å
351D85.5Confident90.2Very high116 Ų11643.3 Ų43.362%0.6222%0.222SC*.THydrogen-bonded Turntrans-78.5-2.9178.4-62.2-12.4000113.2N349 K353N349-D351 PolarHBondContact O-N 2.9Å; D351-K353 VanDerWaalsContact C-N 3.26Å; D351-K353 HydrophobicContact CB-CD 4.35Å; D351-K353 HydrophobicContact CB-CG 3.98Å; D351-K353 PolarHBondContact O-N 3.12Å; D351-K353 IonicContact OD2-NZ 2.88Å
352K88.3Confident90.3Very high73 Ų7343.6 Ų43.632%0.31723%0.225SC..  trans5238.9-176.3-54-178.3-177.3-1730114.2N349 A350 S377 K379 D1040N349-K352 PolarHBondContact O-N 3.26Å; N349-K352 VanDerWaalsContact OD1-CA 3.31Å; N349-K352 WeakPolarHBondContact OD1-CA 3.39Å; A350-K352 PolarHBondContact O-N 3.4Å; K352-S377 WeakPolarHBondContact CE-O 3.42Å; K352-S377 PolarHBondContact NZ-O 3.06Å; K352-K379 HydrophobicContact CB-CG 4.43Å; K352-K379 HydrophobicContact CD-CG 4.14Å; K352-D1040 IonicContact NZ-OD2 2.63Å
353K87.2Confident90.2Very high124 Ų12447.3 Ų47.354%0.53924%0.242SC..  trans-74.2-27.6176.9-69.4-178.2-178.6172.90112.8N349 D351N349-K353 PolarHBondContact OD1-N 3.06Å; D351-K353 VanDerWaalsContact C-N 3.26Å; D351-K353 HydrophobicContact CB-CD 4.35Å; D351-K353 HydrophobicContact CB-CG 3.98Å; D351-K353 PolarHBondContact O-N 3.12Å; D351-K353 IonicContact OD2-NZ 2.88Å
354V92.1Very high90Very high1 Ų145 Ų451%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-99.2128.9176.9-178.60000108.9F313 L316 K328 I330 N349F313-V354 HydrophobicContact CD1-CG2 4.36Å; F313-V354 HydrophobicContact CE1-CB 4.02Å; F313-V354 HydrophobicContact CE1-CG1 4.12Å; F313-V354 HydrophobicContact CE1-CG2 4.02Å; L316-V354 HydrophobicContact CD1-CG1 3.86Å; L316-V354 HydrophobicContact CD1-CG2 4.47Å; K328-V354 HydrophobicContact CB-CG2 4.18Å; K328-V354 WeakPolarHBondContact O-CA 3.5Å; I330-V354 HydrophobicContact CD1-CG1 3.81Å; I330-V354 HydrophobicContact CG1-CG1 3.8Å; N349-V354 PolarHBondContact ND2-O 3.45Å; N349-V354 PolarHBondContact OD1-N 3.31Å
355R92.8Very high89.7Confident11 Ų1152.7 Ų52.74%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-88.6136.4174.4-58.8176.7-178.4-112.32110.3K328 I329 I330 F357 N378 K379 P405 D1033 E1038K328-R355 PolarHBondContact O-N 2.7Å; I329-R355 WeakPolarHBondContact CA-O 3.37Å; I329-R355 HydrophobicContact CG2-CB 4.15Å; I330-R355 PolarHBondContact N-O 2.63Å; R355-F357 HydrophobicContact CB-CE2 3.95Å; R355-F357 HydrophobicContact CB-CZ 4.49Å; R355-N378 WeakPolarHBondContact CA-O 3.49Å; R355-K379 PolarHBondContact NH1-O 3.19Å; R355-P405 VanDerWaalsContact NH2-CG 3.28Å; R355-D1033 PolarHBondContact NH2-O 3.16Å; R355-E1038 IonicContact CZ-OE1 3.83Å; R355-E1038 IonicContact CZ-OE2 2.75Å; R355-E1038 IonicContact NH1-OE1 3.19Å; R355-E1038 PolarHBondContact NH1-OE1 2.92Å; R355-E1038 IonicContact NH1-OE2 3.5Å; R355-E1038 IonicContact NH2-OE1 3.77Å; R355-E1038 PolarHBondContact NH2-OE1 3.43Å; R355-E1038 IonicContact NH2-OE2 3.08Å; R355-E1038 PolarHBondContact NH2-OE2 3.27Å
356I94.1Very high89.4Confident0 Ų057.8 Ų57.80%028%0.283CS..EExtended strand (participates in β ladder)trans-116.3117.8179.8-64.5168.9000109.9F309 F313 I330 L345 T358 A375 N378 G380F309-I356 HydrophobicContact CD1-CD1 4.45Å; F309-I356 HydrophobicContact CE1-CD1 4.01Å; F309-I356 HydrophobicContact CE1-CG1 4.41Å; F309-I356 HydrophobicContact CE1-CG2 4.03Å; F309-I356 HydrophobicContact CZ-CG2 4.2Å; F313-I356 HydrophobicContact CZ-CD1 4.26Å; I330-I356 HydrophobicContact CB-CG1 4.27Å; I330-I356 HydrophobicContact CD1-CG1 4.47Å; I330-I356 WeakPolarHBondContact O-CA 3.49Å; L345-I356 HydrophobicContact CD2-CD1 3.29Å; I356-T358 HydrophobicContact CG2-CG2 4.18Å; I356-A375 WeakPolarHBondContact O-CA 3.34Å; I356-N378 HydrophobicContact CB-CB 3.88Å; I356-N378 HydrophobicContact CD1-CB 3.98Å; I356-N378 HydrophobicContact CG1-CB 4.04Å; I356-G380 WeakPolarHBondContact O-CA 3.14Å
357F94.6Very high89.2Confident0 Ų056.9 Ų56.90%028%0.282CS..EExtended strand (participates in β ladder)trans-103.1138.7173.3-60.9-89000109.8I329 I330 M331 L332 R355 F359 Y381 Y383 V401 L402I329-F357 HydrophobicContact CB-CD2 4.46Å; I329-F357 HydrophobicContact CB-CE2 4.25Å; I329-F357 HydrophobicContact CG2-CE2 4.14Å; I330-F357 PolarHBondContact O-N 2.87Å; M331-F357 CarbonylContact C-O 2.88Å; M331-F357 WeakPolarHBondContact CA-O 3.26Å; M331-F357 HydrophobicContact CE-CD2 4.25Å; M331-F357 HydrophobicContact CG-CB 4.07Å; M331-F357 HydrophobicContact CG-CD2 4.26Å; M331-F357 HydrophobicContact SD-CB 4.46Å; L332-F357 PolarHBondContact N-O 3.26Å; R355-F357 HydrophobicContact CB-CE2 3.95Å; R355-F357 HydrophobicContact CB-CZ 4.49Å; F357-F359 HydrophobicContact CB-CE2 4.01Å; F357-Y381 WeakPolarHBondContact CA-O 3.07Å; F357-Y381 VanDerWaalsContact CD1-N 3.32Å; F357-Y383 AromaticContact CD1-CE2 3.9Å; F357-Y383 HydrophobicContact CD1-CE2 3.9Å; F357-V401 HydrophobicContact CE1-CB 4.04Å; F357-V401 HydrophobicContact CE1-CG1 4.02Å; F357-V401 HydrophobicContact CE1-CG2 4.2Å; F357-V401 HydrophobicContact CZ-CB 4.17Å; F357-V401 HydrophobicContact CZ-CG1 3.99Å; F357-L402 HydrophobicContact CE2-CD2 4.49Å; F357-L402 HydrophobicContact CZ-CD2 4.34Å
358T94.1Very high89.1Confident0 Ų053.2 Ų53.20%027%0.266CS..EExtended strand (participates in β ladder)trans-126.8128.9-179.859.10000110.6L332 I356 I371 M374 A375 Y381 F382 Y383L332-T358 HydrophobicContact CB-CG2 4.37Å; L332-T358 HydrophobicContact CD2-CG2 4.33Å; I356-T358 HydrophobicContact CG2-CG2 4.18Å; T358-I371 HydrophobicContact CG2-CB 4.33Å; T358-I371 WeakPolarHBondContact CG2-O 3.45Å; T358-I371 PolarHBondContact OG1-O 2.98Å; T358-I371 VanDerWaalsContact OG1-O 3.13Å; T358-M374 HydrophobicContact CG2-CB 4.2Å; T358-A375 HydrophobicContact CG2-CB 4.34Å; T358-Y381 PolarHBondContact N-O 3.12Å; T358-F382 WeakPolarHBondContact OG1-CD2 3.12Å; T358-Y383 PolarHBondContact O-N 2.84Å
359F93.6Very high89.2Confident0 Ų052.1 Ų52.10%027%0.269CS..EExtended strand (participates in β ladder)trans-112.3117.5-179.3-64.5-95.7000109.6M251 M331 L332 F333 T334 F357 V361 Y383 I385M251-F359 HydrophobicContact CE-CE1 4.03Å; M251-F359 HydrophobicContact CE-CE2 4.18Å; M251-F359 HydrophobicContact CE-CZ 3.52Å; M331-F359 HydrophobicContact CB-CE2 4.12Å; M331-F359 HydrophobicContact CG-CE2 4.3Å; M331-F359 HydrophobicContact SD-CE2 3.65Å; M331-F359 HydrophobicContact SD-CZ 3.97Å; L332-F359 PolarHBondContact O-N 3.27Å; F333-F359 HydrophobicContact CD1-CB 3.62Å; F333-F359 HydrophobicContact CD1-CD2 4.22Å; F333-F359 AromaticContact CD1-CG 3.9Å; F333-F359 HydrophobicContact CD1-CG 3.9Å; F333-F359 HydrophobicContact CD2-CD2 4.41Å; F333-F359 HydrophobicContact CE1-CB 3.86Å; F333-F359 AromaticContact CE1-CD1 3.95Å; F333-F359 HydrophobicContact CE1-CD1 3.95Å; F333-F359 AromaticContact CE1-CD2 3.87Å; F333-F359 HydrophobicContact CE1-CD2 3.87Å; F333-F359 HydrophobicContact CE1-CE2 4.45Å; F333-F359 AromaticContact CE1-CG 3.61Å; F333-F359 HydrophobicContact CE1-CG 3.61Å; F333-F359 HydrophobicContact CE2-CD2 4.08Å; F333-F359 HydrophobicContact CE2-CE2 4.36Å; F333-F359 HydrophobicContact CG-CB 4.22Å; F333-F359 HydrophobicContact CG-CD2 4.48Å; F333-F359 HydrophobicContact CZ-CD1 4.39Å; F333-F359 AromaticContact CZ-CD2 3.8Å; F333-F359 HydrophobicContact CZ-CD2 3.8Å; F333-F359 HydrophobicContact CZ-CE2 4.03Å; F333-F359 HydrophobicContact CZ-CG 4.01Å; F333-F359 HydrophobicContact CZ-CZ 4.42Å; T334-F359 PolarHBondContact N-O 3.27Å; F357-F359 HydrophobicContact CB-CE2 4.01Å; F359-V361 HydrophobicContact CB-CG2 4.2Å; F359-Y383 WeakPolarHBondContact CA-O 3.05Å; F359-Y383 VanDerWaalsContact CD1-CB 3.48Å; F359-Y383 AromaticContact CD1-CD2 3.95Å; F359-Y383 HydrophobicContact CD1-CD2 3.95Å; F359-Y383 HydrophobicContact CD1-CG 4.04Å; F359-Y383 AromaticContact CE1-CD2 3.32Å; F359-Y383 HydrophobicContact CE1-CD2 3.32Å; F359-Y383 HydrophobicContact CE1-CE2 4.16Å; F359-Y383 AromaticContact CE1-CG 3.63Å; F359-Y383 HydrophobicContact CE1-CG 3.63Å; F359-Y383 HydrophobicContact CE2-CD2 4.19Å; F359-Y383 AromaticContact CZ-CD2 3.46Å; F359-Y383 HydrophobicContact CZ-CD2 3.46Å; F359-Y383 VanDerWaalsContact CZ-CD2 3.46Å; F359-Y383 AromaticContact CZ-CE2 3.96Å; F359-Y383 HydrophobicContact CZ-CE2 3.96Å; F359-Y383 HydrophobicContact CZ-CG 4.24Å; F359-I385 HydrophobicContact CD1-CD1 3.86Å; F359-I385 HydrophobicContact CD1-CG1 4.46Å
360S93Very high89.2Confident2 Ų252.1 Ų52.11%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-88.6111.4170.1-165.80000108.7T334 H364 K368 Y383 E384 I385T334-S360 WeakPolarHBondContact O-CA 3.47Å; S360-H364 PolarHBondContact OG-CE1 3.22Å; S360-H364 PolarHBondContact OG-NE2 3.09Å; S360-K368 WeakPolarHBondContact OG-CE 3.29Å; S360-Y383 PolarHBondContact N-O 3.48Å; S360-E384 WeakPolarHBondContact O-CA 3.47Å; S360-I385 PolarHBondContact O-N 3.07Å
361V92.6Very high89.4Confident0 Ų048.5 Ų48.50%024%0.24CC..EExtended strand (participates in β ladder)trans-111.2136-171.1-173.20000111.9T240 L243 I244 F333 T334 F359 H364 I385T240-V361 HydrophobicContact CG2-CB 4.25Å; T240-V361 HydrophobicContact CG2-CG1 4.38Å; T240-V361 WeakPolarHBondContact CG2-O 3.42Å; L243-V361 HydrophobicContact CB-CG1 3.4Å; L243-V361 VanDerWaalsContact CB-CG1 3.4Å; L243-V361 HydrophobicContact CD1-CG1 4.24Å; L243-V361 HydrophobicContact CG-CG1 4.47Å; I244-V361 HydrophobicContact CD1-CB 4.5Å; I244-V361 HydrophobicContact CG1-CB 3.8Å; I244-V361 HydrophobicContact CG1-CG1 3.83Å; I244-V361 HydrophobicContact CG1-CG2 3.94Å; F333-V361 HydrophobicContact CD1-CG2 4.02Å; T334-V361 PolarHBondContact O-N 3.18Å; F359-V361 HydrophobicContact CB-CG2 4.2Å; V361-H364 PolarHBondContact O-CD2 3.08Å; V361-H364 VanDerWaalsContact O-CD2 3.25Å; V361-I385 HydrophobicContact CG1-CB 4.37Å; V361-I385 HydrophobicContact CG1-CG2 4.4Å; V361-I385 HydrophobicContact CG2-CB 4.33Å; V361-I385 HydrophobicContact CG2-CD1 4.47Å
362G87.9Confident89.6Confident8 Ų845.8 Ų45.88%0.08222%0.223CC..SBendtrans85.5172.4177.600000113.6H364 I385G362-H364 PolarHBondContact O-CD2 3.19Å; G362-I385 PolarHBondContact N-O 2.79Å
363Q85Confident89.7Confident173 Ų17345.8 Ų45.881%0.80822%0.221SC*.SBendtrans-90.2108.2171.7-69.8-176.5-10.700108.6
364H84.3Confident89.9Confident30 Ų3039.9 Ų39.914%0.13920%0.196CC..  trans-140.6163.2-178.65871.6000111.1D335 S360 V361 G362 Y366D335-H364 PolarHBondContact O-CD2 3.2Å; D335-H364 PolarHBondContact O-CE1 2.79Å; D335-H364 PolarHBondContact O-ND1 2.97Å; D335-H364 PolarHBondContact O-NE2 3Å; S360-H364 PolarHBondContact OG-CE1 3.22Å; S360-H364 PolarHBondContact OG-NE2 3.09Å; V361-H364 PolarHBondContact O-CD2 3.08Å; V361-H364 VanDerWaalsContact O-CD2 3.25Å; G362-H364 PolarHBondContact O-CD2 3.19Å; H364-Y366 HydrophobicContact CB-CD2 3.77Å; H364-Y366 HydrophobicContact CB-CE2 4.36Å
365N83.9Confident89.8Confident175 Ų17539.8 Ų39.894%0.93620%0.195SC*.  trans-102.96.6178.3-65.7-17.8000113.1
366Y84.3Confident89.7Confident117 Ų11740.9 Ų40.946%0.45920%0.204SC..SBendtrans-68.3153.1176.2-60.7-68.5000112S235 D335 H364S235-Y366 WeakPolarHBondContact CB-OH 3.22Å; D335-Y366 HydrophobicContact CB-CD2 4.23Å; D335-Y366 WeakPolarHBondContact O-CB 3.31Å; D335-Y366 WeakPolarHBondContact OD2-CE2 3.25Å; H364-Y366 HydrophobicContact CB-CD2 3.77Å; H364-Y366 HydrophobicContact CB-CE2 4.36Å
367D85.5Confident89.5Confident99 Ų9942.4 Ų42.453%0.52922%0.215SC..  trans-69.8130.9180-169.59.7000111.3G337 G369 P370G337-D367 PolarHBondContact N-O 3.29Å; G337-D367 VanDerWaalsContact N-O 3.07Å; D367-G369 PolarHBondContact OD1-N 3.33Å; D367-P370 WeakPolarHBondContact OD2-CD 3.44Å
368K88.8Confident89.3Confident61 Ų6142.7 Ų42.727%0.26522%0.216SC..  trans-98.2-14.5178.5-61.3174.3173.8-179.10112S360 I371 Q372 F382 E384S360-K368 WeakPolarHBondContact OG-CE 3.29Å; K368-I371 HydrophobicContact CB-CD1 4.47Å; K368-I371 HydrophobicContact CB-CG1 4.45Å; K368-I371 WeakPolarHBondContact O-CG1 3.36Å; K368-I371 PolarHBondContact O-N 3.02Å; K368-Q372 WeakPolarHBondContact O-CB 3.42Å; K368-Q372 PolarHBondContact O-N 2.86Å; K368-F382 HydrophobicContact CB-CZ 4.28Å; K368-F382 HydrophobicContact CD-CZ 4.27Å; K368-E384 VanDerWaalsContact CD-OE1 3.29Å; K368-E384 WeakPolarHBondContact CD-OE1 3.47Å; K368-E384 IonicContact NZ-OE1 2.89Å; K368-E384 PolarHBondContact NZ-OE1 3.29Å; K368-E384 IonicContact NZ-OE2 2.69Å; K368-E384 PolarHBondContact NZ-OE2 3.22Å
369G89.1Confident89.1Confident24 Ų2444 Ų4425%0.24722%0.222CC..Hα-helixtrans-56.8-44.9-176.500000113.7D367 W373D367-G369 PolarHBondContact OD1-N 3.33Å; G369-W373 WeakPolarHBondContact O-CB 3.48Å; G369-W373 PolarHBondContact O-N 2.9Å
370P90.9Very high88.9Confident5 Ų544.1 Ų44.13%0.03222%0.223CC..Hα-helixtrans-62.9-42.7178.2-33.544.1000114.5G337 R340 D367 W373 M374G337-P370 WeakPolarHBondContact O-CB 3.44Å; G337-P370 WeakPolarHBondContact O-CD 3.25Å; G337-P370 WeakPolarHBondContact O-CG 3.27Å; R340-P370 HydrophobicContact CG-CB 3.65Å; R340-P370 HydrophobicContact CG-CG 4.25Å; D367-P370 WeakPolarHBondContact OD2-CD 3.44Å; P370-W373 PolarHBondContact O-N 3.12Å; P370-M374 WeakPolarHBondContact O-CG 3.24Å; P370-M374 PolarHBondContact O-N 2.85Å; P370-M374 VanDerWaalsContact O-N 3.09Å
371I90.7Very high88.8Confident0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-70.9-38.9179.556.9173.6000111.5T334 T358 K368 W373 M374 A375 F382T334-I371 HydrophobicContact CG2-CD1 4.26Å; T334-I371 HydrophobicContact CG2-CG2 3.95Å; T358-I371 HydrophobicContact CG2-CB 4.33Å; T358-I371 WeakPolarHBondContact CG2-O 3.45Å; T358-I371 PolarHBondContact OG1-O 2.98Å; T358-I371 VanDerWaalsContact OG1-O 3.13Å; K368-I371 HydrophobicContact CB-CD1 4.47Å; K368-I371 HydrophobicContact CB-CG1 4.45Å; K368-I371 WeakPolarHBondContact O-CG1 3.36Å; K368-I371 PolarHBondContact O-N 3.02Å; I371-W373 VanDerWaalsContact C-N 3.3Å; I371-W373 PolarHBondContact O-N 3.06Å; I371-M374 WeakPolarHBondContact O-CB 3.15Å; I371-M374 PolarHBondContact O-N 3.1Å; I371-M374 VanDerWaalsContact O-N 3.16Å; I371-A375 PolarHBondContact O-N 3.16Å; I371-A375 VanDerWaalsContact O-N 3.14Å; I371-F382 HydrophobicContact CD1-CE2 3.76Å; I371-F382 HydrophobicContact CG1-CD2 4.47Å; I371-F382 HydrophobicContact CG1-CE2 3.94Å
372Q89.9Confident88.8Confident59 Ų5946.7 Ų46.728%0.27623%0.233SC..Hα-helixtrans-60-42.5172.5-172.6-1799.900111.2K368 M374 A375 C376 F382K368-Q372 WeakPolarHBondContact O-CB 3.42Å; K368-Q372 PolarHBondContact O-N 2.86Å; Q372-M374 VanDerWaalsContact C-N 3.32Å; Q372-M374 PolarHBondContact O-N 3.23Å; Q372-A375 PolarHBondContact O-N 2.96Å; Q372-C376 PolarHBondContact O-N 2.67Å; Q372-C376 PolarHBondContact O-SG 2.93Å; Q372-F382 HydrophobicContact CB-CD2 4.2Å; Q372-F382 HydrophobicContact CB-CG 4.25Å; Q372-F382 HydrophobicContact CG-CB 4.26Å; Q372-F382 HydrophobicContact CG-CD1 4.42Å; Q372-F382 HydrophobicContact CG-CG 4.18Å
373W90.3Very high89Confident72 Ų7246.5 Ų46.527%0.27323%0.23SC..Hα-helixtrans-61.7-38.6176178.985.5000112.7R340 Q342 L345 G369 P370 I371 S377R340-W373 HydrophobicContact CB-CE3 3.76Å; R340-W373 HydrophobicContact CB-CZ3 3.85Å; R340-W373 HydrophobicContact CG-CD2 4.43Å; R340-W373 HydrophobicContact CG-CE3 3.96Å; R340-W373 WeakPolarHBondContact O-CZ3 3.33Å; Q342-W373 HydrophobicContact CB-CH2 3.91Å; Q342-W373 HydrophobicContact CB-CZ3 4.31Å; Q342-W373 HydrophobicContact CG-CH2 3.86Å; L345-W373 HydrophobicContact CD1-CZ3 3.97Å; G369-W373 WeakPolarHBondContact O-CB 3.48Å; G369-W373 PolarHBondContact O-N 2.9Å; P370-W373 PolarHBondContact O-N 3.12Å; I371-W373 VanDerWaalsContact C-N 3.3Å; I371-W373 PolarHBondContact O-N 3.06Å; W373-S377 VanDerWaalsContact CE2-OG 3.23Å; W373-S377 PolarHBondContact NE1-OG 3.29Å; W373-S377 VanDerWaalsContact O-CB 3.27Å; W373-S377 WeakPolarHBondContact O-CB 3.27Å; W373-S377 PolarHBondContact O-N 2.89Å; W373-S377 PolarHBondContact O-OG 2.03Å
374M90.8Very high89.2Confident0 Ų042.4 Ų42.40%021%0.211CC..Hα-helixtrans-62.1-43.7175.6-67.2178.1-163.600111.4Y305 F309 L332 E339 A341 L345 T358 P370 I371 Q372 N378Y305-M374 HydrophobicContact CD2-CE 4.46Å; Y305-M374 HydrophobicContact CG-CE 4.36Å; F309-M374 HydrophobicContact CE2-CE 4.49Å; F309-M374 HydrophobicContact CE2-SD 3.73Å; F309-M374 HydrophobicContact CZ-SD 3.99Å; L332-M374 HydrophobicContact CD2-SD 4.49Å; E339-M374 WeakPolarHBondContact O-CE 3.48Å; A341-M374 HydrophobicContact CB-CE 4.36Å; L345-M374 HydrophobicContact CD1-CG 4.24Å; T358-M374 HydrophobicContact CG2-CB 4.2Å; P370-M374 WeakPolarHBondContact O-CG 3.24Å; P370-M374 PolarHBondContact O-N 2.85Å; P370-M374 VanDerWaalsContact O-N 3.09Å; I371-M374 WeakPolarHBondContact O-CB 3.15Å; I371-M374 PolarHBondContact O-N 3.1Å; I371-M374 VanDerWaalsContact O-N 3.16Å; Q372-M374 VanDerWaalsContact C-N 3.32Å; Q372-M374 PolarHBondContact O-N 3.23Å; M374-N378 PolarHBondContact O-N 3.38Å; M374-N378 PolarHBondContact O-ND2 2.78Å
375A91.1Very high89.5Confident0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-64.6-51.617800000112.2I356 T358 I371 Q372 S377 N378 G380 F382I356-A375 WeakPolarHBondContact O-CA 3.34Å; T358-A375 HydrophobicContact CG2-CB 4.34Å; I371-A375 PolarHBondContact O-N 3.16Å; I371-A375 VanDerWaalsContact O-N 3.14Å; Q372-A375 PolarHBondContact O-N 2.96Å; A375-S377 VanDerWaalsContact C-N 3.32Å; A375-S377 PolarHBondContact O-N 2.96Å; A375-N378 PolarHBondContact O-N 2.97Å; A375-G380 PolarHBondContact O-N 3.33Å; A375-G380 VanDerWaalsContact O-N 3.08Å; A375-F382 HydrophobicContact CB-CB 4.33Å
376C89.8Confident89.7Confident34 Ų3435.4 Ų35.423%0.2318%0.178CC..Hα-helixtrans-58.9-40.5179.5-65.90000112.8Q372 N378 C1043Q372-C376 PolarHBondContact O-N 2.67Å; Q372-C376 PolarHBondContact O-SG 2.93Å; C376-N378 PolarHBondContact O-N 3.1Å; C376-C1043 HydrophobicContact CB-CB 3.76Å; C376-C1043 WeakPolarHBondContact CB-SG 3.32Å; C376-C1043 WeakPolarHBondContact SG-CB 3.34Å; C376-C1043 CovalentContact SG-SG 2.03Å; C376-C1043 PolarHBondContact SG-SG 3.42Å
377S89.5Confident89.8Confident31 Ų3132.6 Ų32.622%0.21718%0.175CC..Hα-helixtrans-69.1-23-176.8-59.60000113.1K352 W373 A375K352-S377 WeakPolarHBondContact CE-O 3.42Å; K352-S377 PolarHBondContact NZ-O 3.06Å; W373-S377 VanDerWaalsContact CE2-OG 3.23Å; W373-S377 PolarHBondContact NE1-OG 3.29Å; W373-S377 VanDerWaalsContact O-CB 3.27Å; W373-S377 WeakPolarHBondContact O-CB 3.27Å; W373-S377 PolarHBondContact O-N 2.89Å; W373-S377 PolarHBondContact O-OG 2.03Å; A375-S377 VanDerWaalsContact C-N 3.32Å; A375-S377 PolarHBondContact O-N 2.96Å
378N90.4Very high89.7Confident6 Ų632.8 Ų32.83%0.03218%0.175CC..THydrogen-bonded Turntrans-116.830.6-171.7-64.6-81.3000113.2N349 R355 I356 M374 A375 C376 G380N349-N378 PolarHBondContact ND2-OD1 2.7Å; R355-N378 WeakPolarHBondContact CA-O 3.49Å; I356-N378 HydrophobicContact CB-CB 3.88Å; I356-N378 HydrophobicContact CD1-CB 3.98Å; I356-N378 HydrophobicContact CG1-CB 4.04Å; M374-N378 PolarHBondContact O-N 3.38Å; M374-N378 PolarHBondContact O-ND2 2.78Å; A375-N378 PolarHBondContact O-N 2.97Å; C376-N378 PolarHBondContact O-N 3.1Å; N378-G380 PolarHBondContact O-N 2.79Å
379K89.2Confident89.2Confident29 Ų2932.7 Ų32.713%0.12619%0.192CC..THydrogen-bonded Turntrans51.930.6177.5-51.1-169.4171-170.60114.2K352 R355 D1040K352-K379 HydrophobicContact CB-CG 4.43Å; K352-K379 HydrophobicContact CD-CG 4.14Å; R355-K379 PolarHBondContact NH1-O 3.19Å; K379-D1040 HydrophobicContact CB-CB 4.33Å; K379-D1040 HydrophobicContact CD-CB 4.24Å; K379-D1040 HydrophobicContact CG-CB 3.78Å
380G89.5Confident89Confident2 Ų232.5 Ų32.52%0.02119%0.188CC..  trans-106.6-156.9175.500000111.2I356 A375 N378I356-G380 WeakPolarHBondContact O-CA 3.14Å; A375-G380 PolarHBondContact O-N 3.33Å; A375-G380 VanDerWaalsContact O-N 3.08Å; N378-G380 PolarHBondContact O-N 2.79Å
381Y91.9Very high88.7Confident37 Ų3732.4 Ų32.415%0.14519%0.187CC..  trans-142.9154.4-177-154.2-99.1000111.9F357 T358 Y383 V401 G1044 G1045F357-Y381 WeakPolarHBondContact CA-O 3.07Å; F357-Y381 VanDerWaalsContact CD1-N 3.32Å; T358-Y381 PolarHBondContact N-O 3.12Å; Y381-Y383 AromaticContact CD1-CD1 3.9Å; Y381-Y383 HydrophobicContact CD1-CD1 3.9Å; Y381-Y383 HydrophobicContact CD1-CD2 4.31Å; Y381-Y383 AromaticContact CD1-CE1 3.35Å; Y381-Y383 HydrophobicContact CD1-CE1 3.35Å; Y381-Y383 AromaticContact CD1-CE2 3.85Å; Y381-Y383 HydrophobicContact CD1-CE2 3.85Å; Y381-Y383 HydrophobicContact CD1-CG 4.33Å; Y381-Y383 AromaticContact CD1-CZ 3.31Å; Y381-Y383 WeakPolarHBondContact CD1-OH 3.44Å; Y381-Y383 HydrophobicContact CE1-CD1 4.2Å; Y381-Y383 AromaticContact CE1-CE1 3.73Å; Y381-Y383 HydrophobicContact CE1-CE1 3.73Å; Y381-Y383 HydrophobicContact CG-CE1 4.42Å; Y381-Y383 HydrophobicContact CG-CE2 4.36Å; Y381-Y383 AromaticContact CG-CZ 3.99Å; Y381-V401 HydrophobicContact CD2-CG2 4.29Å; Y381-V401 HydrophobicContact CG-CG2 4.3Å; Y381-G1044 VanDerWaalsContact CE2-N 3.25Å; Y381-G1045 PolarHBondContact OH-N 3.31Å
382F92.5Very high88.1Confident18 Ų1834.4 Ų34.48%0.07919%0.194CC..EExtended strand (participates in β ladder)trans-108127.7-178.8172-102.3000110T358 K368 I371 Q372 A375 E384T358-F382 WeakPolarHBondContact OG1-CD2 3.12Å; K368-F382 HydrophobicContact CB-CZ 4.28Å; K368-F382 HydrophobicContact CD-CZ 4.27Å; I371-F382 HydrophobicContact CD1-CE2 3.76Å; I371-F382 HydrophobicContact CG1-CD2 4.47Å; I371-F382 HydrophobicContact CG1-CE2 3.94Å; Q372-F382 HydrophobicContact CB-CD2 4.2Å; Q372-F382 HydrophobicContact CB-CG 4.25Å; Q372-F382 HydrophobicContact CG-CB 4.26Å; Q372-F382 HydrophobicContact CG-CD1 4.42Å; Q372-F382 HydrophobicContact CG-CG 4.18Å; A375-F382 HydrophobicContact CB-CB 4.33Å; F382-E384 HydrophobicContact CD1-CG 4.44Å; F382-E384 HydrophobicContact CE1-CG 3.43Å; F382-E384 VanDerWaalsContact CE1-CG 3.43Å; F382-E384 WeakPolarHBondContact CE1-OE1 3.49Å; F382-E384 HydrophobicContact CZ-CG 3.59Å
383Y91.4Very high87.7Confident5 Ų534.3 Ų34.32%0.0220%0.195CC..EExtended strand (participates in β ladder)trans-124.4143.5-178.9-61.2-77.4000111.5F357 T358 F359 S360 Y381 N394 E397 Y398F357-Y383 AromaticContact CD1-CE2 3.9Å; F357-Y383 HydrophobicContact CD1-CE2 3.9Å; T358-Y383 PolarHBondContact O-N 2.84Å; F359-Y383 WeakPolarHBondContact CA-O 3.05Å; F359-Y383 VanDerWaalsContact CD1-CB 3.48Å; F359-Y383 AromaticContact CD1-CD2 3.95Å; F359-Y383 HydrophobicContact CD1-CD2 3.95Å; F359-Y383 HydrophobicContact CD1-CG 4.04Å; F359-Y383 AromaticContact CE1-CD2 3.32Å; F359-Y383 HydrophobicContact CE1-CD2 3.32Å; F359-Y383 HydrophobicContact CE1-CE2 4.16Å; F359-Y383 AromaticContact CE1-CG 3.63Å; F359-Y383 HydrophobicContact CE1-CG 3.63Å; F359-Y383 HydrophobicContact CE2-CD2 4.19Å; F359-Y383 AromaticContact CZ-CD2 3.46Å; F359-Y383 HydrophobicContact CZ-CD2 3.46Å; F359-Y383 VanDerWaalsContact CZ-CD2 3.46Å; F359-Y383 AromaticContact CZ-CE2 3.96Å; F359-Y383 HydrophobicContact CZ-CE2 3.96Å; F359-Y383 HydrophobicContact CZ-CG 4.24Å; S360-Y383 PolarHBondContact N-O 3.48Å; Y381-Y383 AromaticContact CD1-CD1 3.9Å; Y381-Y383 HydrophobicContact CD1-CD1 3.9Å; Y381-Y383 HydrophobicContact CD1-CD2 4.31Å; Y381-Y383 AromaticContact CD1-CE1 3.35Å; Y381-Y383 HydrophobicContact CD1-CE1 3.35Å; Y381-Y383 AromaticContact CD1-CE2 3.85Å; Y381-Y383 HydrophobicContact CD1-CE2 3.85Å; Y381-Y383 HydrophobicContact CD1-CG 4.33Å; Y381-Y383 AromaticContact CD1-CZ 3.31Å; Y381-Y383 WeakPolarHBondContact CD1-OH 3.44Å; Y381-Y383 HydrophobicContact CE1-CD1 4.2Å; Y381-Y383 AromaticContact CE1-CE1 3.73Å; Y381-Y383 HydrophobicContact CE1-CE1 3.73Å; Y381-Y383 HydrophobicContact CG-CE1 4.42Å; Y381-Y383 HydrophobicContact CG-CE2 4.36Å; Y381-Y383 AromaticContact CG-CZ 3.99Å; Y383-N394 HydrophobicContact CD1-CB 4.4Å; Y383-E397 HydrophobicContact CE1-CB 3.61Å; Y383-E397 WeakPolarHBondContact CE1-OE2 3.42Å; Y383-E397 VanDerWaalsContact OH-C 3.31Å; Y383-E397 PolarHBondContact OH-O 2.87Å; Y383-Y398 WeakPolarHBondContact OH-CA 2.97Å; Y383-Y398 PolarHBondContact OH-N 2.85Å
384E90.4Very high87.5Confident86 Ų8632 Ų3240%0.40219%0.188SC..EExtended strand (participates in β ladder)trans-114.5127.1174.6-61.3-160.7165.800111.5S360 K368 F382 P386 N394S360-E384 WeakPolarHBondContact O-CA 3.47Å; K368-E384 VanDerWaalsContact CD-OE1 3.29Å; K368-E384 WeakPolarHBondContact CD-OE1 3.47Å; K368-E384 IonicContact NZ-OE1 2.89Å; K368-E384 PolarHBondContact NZ-OE1 3.29Å; K368-E384 IonicContact NZ-OE2 2.69Å; K368-E384 PolarHBondContact NZ-OE2 3.22Å; F382-E384 HydrophobicContact CD1-CG 4.44Å; F382-E384 HydrophobicContact CE1-CG 3.43Å; F382-E384 VanDerWaalsContact CE1-CG 3.43Å; F382-E384 WeakPolarHBondContact CE1-OE1 3.49Å; F382-E384 HydrophobicContact CZ-CG 3.59Å; E384-P386 WeakPolarHBondContact O-CD 3.45Å; E384-N394 PolarHBondContact O-ND2 2.67Å
385I90.3Very high87Confident1 Ų132.2 Ų32.21%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-119.586.6-179.9-57.8-179.4000109.1F333 F359 S360 V361 G362 I391 N394 T395F333-I385 HydrophobicContact CE1-CD1 4.46Å; F359-I385 HydrophobicContact CD1-CD1 3.86Å; F359-I385 HydrophobicContact CD1-CG1 4.46Å; S360-I385 PolarHBondContact O-N 3.07Å; V361-I385 HydrophobicContact CG1-CB 4.37Å; V361-I385 HydrophobicContact CG1-CG2 4.4Å; V361-I385 HydrophobicContact CG2-CB 4.33Å; V361-I385 HydrophobicContact CG2-CD1 4.47Å; G362-I385 PolarHBondContact N-O 2.79Å; I385-I391 HydrophobicContact CG2-CB 4.43Å; I385-I391 HydrophobicContact CG2-CG1 3.49Å; I385-I391 VanDerWaalsContact CG2-CG1 3.49Å; I385-N394 HydrophobicContact CD1-CB 4.33Å; I385-N394 HydrophobicContact CG1-CB 4Å; I385-T395 HydrophobicContact CD1-CG2 4.46Å
386P87.3Confident86.6Confident58 Ų5832.6 Ų32.638%0.37719%0.191SC..  trans-77.5-24.5-178.929.6-35.9000113.4E384 A390E384-P386 WeakPolarHBondContact O-CD 3.45Å; P386-A390 HydrophobicContact CG-CB 4.2Å
387S86.8Confident86.4Confident58 Ų5834.1 Ų34.141%0.40620%0.195SC..SBendtrans-152.5169.3-171.575.50000112.2G389 A390 I391S387-G389 VanDerWaalsContact C-N 3.32Å; S387-G389 PolarHBondContact O-N 2.97Å; S387-A390 PolarHBondContact O-N 3.07Å; S387-I391 PolarHBondContact O-N 3.06Å
388I82.9Confident86.4Confident103 Ų10332.6 Ų32.653%0.52818%0.184SC..Hα-helixtrans-60.7-39.7179.1-61.7172.9000111.7L243 A390 I391L243-I388 HydrophobicContact CD2-CG1 3.56Å; I388-A390 PolarHBondContact O-N 3.38Å; I388-I391 HydrophobicContact CB-CD1 4.46Å; I388-I391 HydrophobicContact CG2-CD1 4.47Å; I388-I391 WeakPolarHBondContact O-CB 3.48Å; I388-I391 PolarHBondContact O-N 3.4Å; I388-I391 VanDerWaalsContact O-N 3.12Å
389G78.7Confident86.4Confident59 Ų5932.6 Ų32.661%0.60818%0.184SC*.Hα-helixtrans-63.6-27.6179.100000113.3S387S387-G389 VanDerWaalsContact C-N 3.32Å; S387-G389 PolarHBondContact O-N 2.97Å
390A83.9Confident86.3Confident20 Ų2033.5 Ų33.517%0.16519%0.19CC..Hα-helixtrans-82.1-16.5177.400000113.5P386 S387 I388 R392 N394P386-A390 HydrophobicContact CG-CB 4.2Å; S387-A390 PolarHBondContact O-N 3.07Å; I388-A390 PolarHBondContact O-N 3.38Å; A390-R392 PolarHBondContact O-N 3.23Å; A390-N394 PolarHBondContact O-N 3.01Å; A390-N394 PolarHBondContact O-ND2 2.94Å
391I84.6Confident86.3Confident2 Ų233.6 Ų33.61%0.0119%0.191CC..Hα-helixtrans-58.5-52.3-179.3-64.9176.4000109.3L243 T246 E250 I385 S387 I388 I393 N394 T395L243-I391 HydrophobicContact CD2-CD1 4.22Å; T246-I391 HydrophobicContact CG2-CD1 3.64Å; E250-I391 HydrophobicContact CB-CG2 3.87Å; E250-I391 HydrophobicContact CG-CG2 3.77Å; I385-I391 HydrophobicContact CG2-CB 4.43Å; I385-I391 HydrophobicContact CG2-CG1 3.49Å; I385-I391 VanDerWaalsContact CG2-CG1 3.49Å; S387-I391 PolarHBondContact O-N 3.06Å; I388-I391 HydrophobicContact CB-CD1 4.46Å; I388-I391 HydrophobicContact CG2-CD1 4.47Å; I388-I391 WeakPolarHBondContact O-CB 3.48Å; I388-I391 PolarHBondContact O-N 3.4Å; I388-I391 VanDerWaalsContact O-N 3.12Å; I391-I393 VanDerWaalsContact C-N 3.27Å; I391-I393 PolarHBondContact O-N 3.42Å; I391-N394 PolarHBondContact O-N 3.48Å; I391-T395 HydrophobicContact CG2-CG2 3.8Å; I391-T395 WeakPolarHBondContact O-CB 3.39Å; I391-T395 VanDerWaalsContact O-CG2 3.3Å; I391-T395 WeakPolarHBondContact O-CG2 3.31Å; I391-T395 PolarHBondContact O-N 3.15Å; I391-T395 PolarHBondContact O-OG1 3.49Å
392R79.4Confident86.2Confident42 Ų4231.8 Ų31.816%0.15818%0.184CC..Hα-helixtrans-58.6-36.8-170.3-168.6165.676.617811.4113.7D143 A390 Q396D143-R392 IonicContact OD1-NH2 2.83Å; D143-R392 PolarHBondContact OD1-NH2 3.06Å; D143-R392 IonicContact OD2-CZ 2.88Å; D143-R392 IonicContact OD2-NE 2.83Å; D143-R392 PolarHBondContact OD2-NE 3.15Å; D143-R392 IonicContact OD2-NH2 3.84Å; D143-R392 PolarHBondContact OD2-NH2 3.47Å; A390-R392 PolarHBondContact O-N 3.23Å; R392-Q396 WeakPolarHBondContact O-CG 3.34Å
393I80.6Confident86.1Confident57 Ų5731 Ų3129%0.29218%0.181SC..Hα-helixtrans-79.6-46.3-178.3-58.9171.9000110.6I391 T395 Q396 E397I391-I393 VanDerWaalsContact C-N 3.27Å; I391-I393 PolarHBondContact O-N 3.42Å; I393-T395 PolarHBondContact O-N 2.96Å; I393-Q396 WeakPolarHBondContact O-CG 3.47Å; I393-Q396 PolarHBondContact O-N 3.05Å; I393-E397 WeakPolarHBondContact CG2-OE1 3.04Å; I393-E397 WeakPolarHBondContact O-CG 3.44Å
394N86.1Confident86Confident25 Ų2531.6 Ų31.613%0.13418%0.183CC..Hα-helixtrans-72.5-28.1-176.3-70.7-59.7000113.4Y383 E384 I385 A390 I391 Q396Y383-N394 HydrophobicContact CD1-CB 4.4Å; E384-N394 PolarHBondContact O-ND2 2.67Å; I385-N394 HydrophobicContact CD1-CB 4.33Å; I385-N394 HydrophobicContact CG1-CB 4Å; A390-N394 PolarHBondContact O-N 3.01Å; A390-N394 PolarHBondContact O-ND2 2.94Å; I391-N394 PolarHBondContact O-N 3.48Å; N394-Q396 PolarHBondContact O-N 3.17Å
395T81.8Confident86Confident3 Ų327.7 Ų27.72%0.01817%0.165CC..THydrogen-bonded Turntrans-76.1-4.3-179.356.30000113.7E250 M251 I385 I391 I393 Y398E250-T395 HydrophobicContact CB-CG2 4.48Å; M251-T395 HydrophobicContact CE-CG2 4.01Å; M251-T395 WeakPolarHBondContact CE-O 3.31Å; M251-T395 VanDerWaalsContact SD-O 3.33Å; I385-T395 HydrophobicContact CD1-CG2 4.46Å; I391-T395 HydrophobicContact CG2-CG2 3.8Å; I391-T395 WeakPolarHBondContact O-CB 3.39Å; I391-T395 VanDerWaalsContact O-CG2 3.3Å; I391-T395 WeakPolarHBondContact O-CG2 3.31Å; I391-T395 PolarHBondContact O-N 3.15Å; I391-T395 PolarHBondContact O-OG1 3.49Å; I393-T395 PolarHBondContact O-N 2.96Å; T395-Y398 VanDerWaalsContact O-CD1 3.31Å; T395-Y398 WeakPolarHBondContact O-CD1 3.28Å; T395-Y398 VanDerWaalsContact O-CE1 3.22Å; T395-Y398 WeakPolarHBondContact O-CE1 3.45Å
396Q82.2Confident86Confident9 Ų928.1 Ų28.14%0.04217%0.167CC..THydrogen-bonded Turntrans-114.4-25.4179.957.2-176.95.300113.7R392 I393 N394 Y398 L399R392-Q396 WeakPolarHBondContact O-CG 3.34Å; I393-Q396 WeakPolarHBondContact O-CG 3.47Å; I393-Q396 PolarHBondContact O-N 3.05Å; N394-Q396 PolarHBondContact O-N 3.17Å; Q396-Y398 PolarHBondContact O-N 2.84Å; Q396-L399 WeakPolarHBondContact O-CB 3.33Å; Q396-L399 PolarHBondContact O-N 2.96Å; Q396-L399 VanDerWaalsContact O-N 3.14Å
397E84.7Confident86.1Confident65 Ų6525.5 Ų25.530%0.30415%0.15SC..THydrogen-bonded Turntrans-61.4-17.1-177.5-79.3179.5-176.200114.2Y383 I393 L399 D400Y383-E397 HydrophobicContact CE1-CB 3.61Å; Y383-E397 WeakPolarHBondContact CE1-OE2 3.42Å; Y383-E397 VanDerWaalsContact OH-C 3.31Å; Y383-E397 PolarHBondContact OH-O 2.87Å; I393-E397 WeakPolarHBondContact CG2-OE1 3.04Å; I393-E397 WeakPolarHBondContact O-CG 3.44Å; E397-L399 PolarHBondContact O-N 3.35Å; E397-D400 WeakPolarHBondContact O-CB 3.26Å; E397-D400 PolarHBondContact O-N 3.04Å; E397-D400 VanDerWaalsContact O-N 3.15Å
398Y89.5Confident86.2Confident0 Ų025.2 Ų25.20%014%0.144CC..Hα-helixtrans-63.9-23.2176.579.9-88.6000112.7K224 M251 T254 M331 Y383 T395 Q396 D400 V401 L402K224-Y398 HydrophobicContact CD-CE2 4.03Å; K224-Y398 WeakPolarHBondContact CE-OH 3.15Å; M251-Y398 HydrophobicContact CE-CD1 4.21Å; M251-Y398 HydrophobicContact CE-CE1 4.4Å; M251-Y398 HydrophobicContact SD-CD1 3.87Å; M251-Y398 HydrophobicContact SD-CE1 3.47Å; M251-Y398 WeakPolarHBondContact SD-CE1 3.27Å; T254-Y398 HydrophobicContact CG2-CE1 4.46Å; T254-Y398 WeakPolarHBondContact OG1-CE1 3.39Å; T254-Y398 PolarHBondContact OG1-OH 2.8Å; M331-Y398 HydrophobicContact CE-CD1 3.96Å; M331-Y398 HydrophobicContact CE-CD2 3.47Å; M331-Y398 VanDerWaalsContact CE-CD2 3.47Å; M331-Y398 HydrophobicContact CE-CE1 4.23Å; M331-Y398 HydrophobicContact CE-CE2 3.77Å; M331-Y398 HydrophobicContact CE-CG 3.57Å; Y383-Y398 WeakPolarHBondContact OH-CA 2.97Å; Y383-Y398 PolarHBondContact OH-N 2.85Å; T395-Y398 VanDerWaalsContact O-CD1 3.31Å; T395-Y398 WeakPolarHBondContact O-CD1 3.28Å; T395-Y398 VanDerWaalsContact O-CE1 3.22Å; T395-Y398 WeakPolarHBondContact O-CE1 3.45Å; Q396-Y398 PolarHBondContact O-N 2.84Å; Y398-D400 PolarHBondContact O-N 2.98Å; Y398-V401 WeakPolarHBondContact O-CB 3.32Å; Y398-V401 PolarHBondContact O-N 2.6Å; Y398-L402 HydrophobicContact CD2-CD1 3.64Å; Y398-L402 HydrophobicContact CD2-CG 4.22Å; Y398-L402 HydrophobicContact CE2-CD1 3.64Å; Y398-L402 PolarHBondContact O-N 3.3Å; Y398-L402 VanDerWaalsContact O-N 3.17Å
399L89.9Confident86.4Confident5 Ų521.4 Ų21.43%0.02613%0.127CC..Hα-helixtrans-63.1-32.4175.9-66.3174000111.7I217 A221 Q396 E397 V401 L402 G403I217-L399 HydrophobicContact CG1-CD1 4.06Å; I217-L399 HydrophobicContact CG2-CD1 4.28Å; I217-L399 HydrophobicContact CG2-CD2 4.38Å; A221-L399 HydrophobicContact CB-CD2 3.91Å; Q396-L399 WeakPolarHBondContact O-CB 3.33Å; Q396-L399 PolarHBondContact O-N 2.96Å; Q396-L399 VanDerWaalsContact O-N 3.14Å; E397-L399 PolarHBondContact O-N 3.35Å; L399-V401 PolarHBondContact O-N 2.77Å; L399-L402 PolarHBondContact O-N 3.41Å; L399-G403 PolarHBondContact O-N 2.82Å
400D88Confident86.7Confident48 Ų4820.7 Ų20.726%0.25711%0.11SC..Hα-helixtrans-64-33177.4-65.6-28.2000111.6E397 Y398 L456E397-D400 WeakPolarHBondContact O-CB 3.26Å; E397-D400 PolarHBondContact O-N 3.04Å; E397-D400 VanDerWaalsContact O-N 3.15Å; Y398-D400 PolarHBondContact O-N 2.98Å; D400-L456 HydrophobicContact CB-CD2 4.14Å
401V89.4Confident86.8Confident4 Ų427.8 Ų27.82%0.02414%0.137CC..Hα-helixtrans-73.9-41.9175.5-177.80000110.8F357 Y381 Y398 L399 G403 R404F357-V401 HydrophobicContact CE1-CB 4.04Å; F357-V401 HydrophobicContact CE1-CG1 4.02Å; F357-V401 HydrophobicContact CE1-CG2 4.2Å; F357-V401 HydrophobicContact CZ-CB 4.17Å; F357-V401 HydrophobicContact CZ-CG1 3.99Å; Y381-V401 HydrophobicContact CD2-CG2 4.29Å; Y381-V401 HydrophobicContact CG-CG2 4.3Å; Y398-V401 WeakPolarHBondContact O-CB 3.32Å; Y398-V401 PolarHBondContact O-N 2.6Å; L399-V401 PolarHBondContact O-N 2.77Å; V401-G403 VanDerWaalsContact C-N 3.25Å; V401-G403 PolarHBondContact O-N 3.02Å; V401-R404 WeakPolarHBondContact O-CG 3.15Å; V401-R404 PolarHBondContact O-N 3.29Å
402L90.7Very high86.9Confident0 Ų034.2 Ų34.20%017%0.167CC..Hα-helixtrans-69.7-23.3177.3-62-177.4000113A221 K224 I329 F357 Y398 L399 P405A221-L402 HydrophobicContact CB-CB 3.94Å; K224-L402 HydrophobicContact CD-CD1 3.67Å; I329-L402 HydrophobicContact CD1-CD1 4.34Å; I329-L402 HydrophobicContact CG2-CD2 3.99Å; F357-L402 HydrophobicContact CE2-CD2 4.49Å; F357-L402 HydrophobicContact CZ-CD2 4.34Å; Y398-L402 HydrophobicContact CD2-CD1 3.64Å; Y398-L402 HydrophobicContact CD2-CG 4.22Å; Y398-L402 HydrophobicContact CE2-CD1 3.64Å; Y398-L402 PolarHBondContact O-N 3.3Å; Y398-L402 VanDerWaalsContact O-N 3.17Å; L399-L402 PolarHBondContact O-N 3.41Å; L402-P405 WeakPolarHBondContact O-CD 3.45Å
403G89.6Confident87.2Confident2 Ų232.5 Ų32.52%0.02116%0.162CC..Hα-helixtrans-73.6-20.8175.700000114.3L399 V401 M406 V407L399-G403 PolarHBondContact O-N 2.82Å; V401-G403 VanDerWaalsContact C-N 3.25Å; V401-G403 PolarHBondContact O-N 3.02Å; G403-M406 WeakPolarHBondContact O-CA 3.47Å; G403-M406 VanDerWaalsContact O-CB 3.28Å; G403-M406 WeakPolarHBondContact O-CB 3.45Å; G403-M406 PolarHBondContact O-N 2.93Å; G403-V407 WeakPolarHBondContact O-CG2 3.24Å; G403-V407 PolarHBondContact O-N 3.35Å
404R89.6Confident87.6Confident16 Ų1631.8 Ų31.86%0.0616%0.157CC..Hα-helixtrans-56-48.8-173.4-58173.3-177.9178.60.4114.1V401 M406 V407 L408 Q455 E1038 D1039 D1042V401-R404 WeakPolarHBondContact O-CG 3.15Å; V401-R404 PolarHBondContact O-N 3.29Å; R404-M406 PolarHBondContact O-N 3.4Å; R404-V407 PolarHBondContact O-N 3.21Å; R404-L408 WeakPolarHBondContact O-CG 3.44Å; R404-L408 PolarHBondContact O-N 3.12Å; R404-Q455 WeakPolarHBondContact CA-O 3.4Å; R404-Q455 HydrophobicContact CB-CB 4.2Å; R404-Q455 HydrophobicContact CG-CB 4.18Å; R404-E1038 HydrophobicContact CB-CG 4.24Å; R404-D1039 PolarHBondContact NH1-O 3.1Å; R404-D1042 IonicContact NH2-OD2 2.81Å
405P90Very high87.7Confident5 Ų535.2 Ų35.23%0.03217%0.172CC..Hα-helixtrans-63.7-31.7177.9-18.832.4000112.8R355 L402 L408 A409 D1033 N1035R355-P405 VanDerWaalsContact NH2-CG 3.28Å; L402-P405 WeakPolarHBondContact O-CD 3.45Å; P405-L408 PolarHBondContact O-N 3.08Å; P405-A409 PolarHBondContact O-N 3Å; P405-D1033 WeakPolarHBondContact CG-O 3.35Å; P405-N1035 HydrophobicContact CB-CB 4.43Å
406M90.3Very high88.2Confident10 Ų1036.6 Ų36.65%0.04918%0.18CC..Hα-helixtrans-68.8-42.7178.2-172.7178.270.600111.2G219 A220 G403 R404 L408 A409 A413 P437 F439 I457 F1032G219-M406 WeakPolarHBondContact O-CE 3.46Å; A220-M406 WeakPolarHBondContact O-CE 3.2Å; G403-M406 WeakPolarHBondContact O-CA 3.47Å; G403-M406 VanDerWaalsContact O-CB 3.28Å; G403-M406 WeakPolarHBondContact O-CB 3.45Å; G403-M406 PolarHBondContact O-N 2.93Å; R404-M406 PolarHBondContact O-N 3.4Å; M406-L408 VanDerWaalsContact C-N 3.28Å; M406-L408 PolarHBondContact O-N 3.45Å; M406-A409 PolarHBondContact O-N 3.36Å; M406-A413 HydrophobicContact CG-CB 3.47Å; M406-A413 VanDerWaalsContact CG-CB 3.47Å; M406-A413 WeakPolarHBondContact O-CB 3.33Å; M406-P437 HydrophobicContact CE-CB 3.98Å; M406-P437 HydrophobicContact CE-CG 4.05Å; M406-P437 HydrophobicContact SD-CG 4.49Å; M406-F439 HydrophobicContact CE-CE1 4.3Å; M406-F439 HydrophobicContact CG-CZ 4.49Å; M406-I457 HydrophobicContact CE-CG2 4.32Å; M406-F1032 HydrophobicContact CB-CB 4.08Å; M406-F1032 HydrophobicContact CB-CG 4.47Å; M406-F1032 HydrophobicContact CG-CD2 4.12Å; M406-F1032 HydrophobicContact CG-CG 4.44Å
407V89.9Confident88.6Confident3 Ų339.5 Ų39.52%0.01819%0.194CC..Hα-helixtrans-60.4-39.3174.7-179.50000111.3G403 R404 A409 D410 F439 Q455 I457G403-V407 WeakPolarHBondContact O-CG2 3.24Å; G403-V407 PolarHBondContact O-N 3.35Å; R404-V407 PolarHBondContact O-N 3.21Å; V407-A409 VanDerWaalsContact C-N 3.3Å; V407-A409 PolarHBondContact O-N 3.43Å; V407-D410 PolarHBondContact O-N 3.23Å; V407-F439 HydrophobicContact CB-CD1 4.27Å; V407-F439 HydrophobicContact CB-CE1 4.5Å; V407-F439 HydrophobicContact CG1-CB 4.19Å; V407-F439 HydrophobicContact CG1-CD1 4.25Å; V407-F439 HydrophobicContact CG1-CG 4.19Å; V407-F439 HydrophobicContact CG2-CD1 3.73Å; V407-F439 HydrophobicContact CG2-CE1 3.97Å; V407-F439 HydrophobicContact CG2-CG 4.47Å; V407-Q455 WeakPolarHBondContact CG2-O 3.5Å; V407-I457 HydrophobicContact CG2-CG2 3.72Å
408L88.1Confident88.9Confident52 Ų5237.9 Ų37.927%0.27219%0.185SC..Hα-helixtrans-68.5-25.9178.7-68174.4000113.6R404 P405 M406 D410 Q455 N1035 E1038R404-L408 WeakPolarHBondContact O-CG 3.44Å; R404-L408 PolarHBondContact O-N 3.12Å; P405-L408 PolarHBondContact O-N 3.08Å; M406-L408 VanDerWaalsContact C-N 3.28Å; M406-L408 PolarHBondContact O-N 3.45Å; L408-D410 PolarHBondContact O-N 2.97Å; L408-Q455 HydrophobicContact CD2-CG 4.34Å; L408-N1035 HydrophobicContact CD1-CB 3.85Å; L408-E1038 HydrophobicContact CD1-CB 4.31Å
409A87.4Confident89.1Confident22 Ų2238 Ų3818%0.18219%0.185CC..Hα-helixtrans-75.8-12174.800000113.3P405 M406 V407 K411 Q412 A413 F1032P405-A409 PolarHBondContact O-N 3Å; M406-A409 PolarHBondContact O-N 3.36Å; V407-A409 VanDerWaalsContact C-N 3.3Å; V407-A409 PolarHBondContact O-N 3.43Å; A409-K411 PolarHBondContact O-N 3.28Å; A409-Q412 HydrophobicContact CB-CB 4.46Å; A409-Q412 PolarHBondContact O-N 2.87Å; A409-Q412 VanDerWaalsContact O-N 3.08Å; A409-A413 HydrophobicContact CB-CB 4.06Å; A409-F1032 HydrophobicContact CB-CD1 3.69Å; A409-F1032 HydrophobicContact CB-CE1 3.62Å
410D86Confident89.1Confident44 Ų4438.9 Ų38.924%0.23519%0.19CC..G310 helixtrans42.9-103.4176.6-174.242.8000112.8V407 L408 Q412 A413 K414 R441V407-D410 PolarHBondContact O-N 3.23Å; L408-D410 PolarHBondContact O-N 2.97Å; D410-Q412 VanDerWaalsContact C-N 3.31Å; D410-Q412 PolarHBondContact O-N 2.72Å; D410-A413 PolarHBondContact O-N 3.39Å; D410-K414 PolarHBondContact O-N 2.88Å; D410-R441 IonicContact OD1-CZ 2.75Å; D410-R441 IonicContact OD1-NE 3.79Å; D410-R441 IonicContact OD1-NH2 2.84Å; D410-R441 PolarHBondContact OD1-NH2 3.33Å; D410-R441 IonicContact OD2-NH2 3.89Å
411K85.6Confident89.2Confident169 Ų16936.8 Ų36.874%0.73518%0.179SC*.G310 helixtrans-64.3-30.5-175.1-65.6-174.3-179.3-178.10114.3A409 A413A409-K411 PolarHBondContact O-N 3.28Å; K411-A413 VanDerWaalsContact C-N 3.32Å
412Q86.3Confident89.1Confident137 Ų13737.4 Ų37.464%0.6418%0.181SC*.G310 helixtrans-72.4-31.2-179.9-70.1-178.5-19.800111.7A409 D410 F1032A409-Q412 HydrophobicContact CB-CB 4.46Å; A409-Q412 PolarHBondContact O-N 2.87Å; A409-Q412 VanDerWaalsContact O-N 3.08Å; D410-Q412 VanDerWaalsContact C-N 3.31Å; D410-Q412 PolarHBondContact O-N 2.72Å; Q412-F1032 HydrophobicContact CB-CE1 4.31Å; Q412-F1032 HydrophobicContact CB-CZ 4.38Å
413A86.4Confident88.8Confident7 Ų739.8 Ų39.86%0.05819%0.194CC..THydrogen-bonded Turntrans-79.7-19179.700000114.1M406 A409 D410 K411 Q415 F439 F1032M406-A413 HydrophobicContact CG-CB 3.47Å; M406-A413 VanDerWaalsContact CG-CB 3.47Å; M406-A413 WeakPolarHBondContact O-CB 3.33Å; A409-A413 HydrophobicContact CB-CB 4.06Å; D410-A413 PolarHBondContact O-N 3.39Å; K411-A413 VanDerWaalsContact C-N 3.32Å; A413-Q415 PolarHBondContact O-N 2.83Å; A413-F439 HydrophobicContact CB-CE2 4.37Å; A413-F439 HydrophobicContact CB-CZ 3.93Å; A413-F1032 HydrophobicContact CB-CD2 4.41Å; A413-F1032 HydrophobicContact CB-CE1 4.46Å; A413-F1032 HydrophobicContact CB-CE2 4.03Å; A413-F1032 HydrophobicContact CB-CZ 4.06Å
414K88.1Confident88.6Confident42 Ų4240.5 Ų40.518%0.18320%0.197CC..  trans-79.973178.2-70.3-175.7179.1-1730111.4E79 D410 L436 F439E79-K414 WeakPolarHBondContact OE1-CE 3.14Å; E79-K414 IonicContact OE1-NZ 3.92Å; E79-K414 PolarHBondContact OE1-NZ 2.95Å; E79-K414 IonicContact OE2-NZ 3.33Å; E79-K414 PolarHBondContact OE2-NZ 3.26Å; D410-K414 PolarHBondContact O-N 2.88Å; K414-L436 HydrophobicContact CB-CD1 4.16Å; K414-F439 HydrophobicContact CD-CE2 4.34Å; K414-F439 HydrophobicContact CG-CD2 4.47Å; K414-F439 HydrophobicContact CG-CE2 3.76Å; K414-F439 HydrophobicContact CG-CZ 4.33Å
415Q87.9Confident88.2Confident97 Ų9741.7 Ų41.745%0.45321%0.21SC..  trans-116138170.6-64.7-171.2-4.800109.2A413 Q417 M1030A413-Q415 PolarHBondContact O-N 2.83Å; Q415-Q417 PolarHBondContact O-N 2.97Å; Q415-M1030 HydrophobicContact CG-CE 4.1Å; Q415-M1030 PolarHBondContact NE2-SD 3.38Å
416V91.7Very high87.8Confident31 Ų3141.9 Ų41.919%0.18821%0.211CC..  trans-73.2122.4175.6175.90000108.2S68 L71 W418 T435 L436S68-V416 WeakPolarHBondContact OG-CG2 3.47Å; L71-V416 HydrophobicContact CD1-CG1 3.99Å; L71-V416 HydrophobicContact CD1-CG2 4.29Å; V416-W418 HydrophobicContact CG1-CZ2 4.25Å; V416-T435 WeakPolarHBondContact CA-O 3.04Å; V416-L436 HydrophobicContact CG2-CD1 4.1Å
417Q91.1Very high87.2Confident70 Ų7047.6 Ų47.633%0.32724%0.237SC..EExtended strand (participates in β ladder)trans-106.5143.1173-63.2-175-2.200108.9Q218 Q415 G434 T435Q218-Q417 HydrophobicContact CG-CB 4.27Å; Q218-Q417 PolarHBondContact O-OE1 3.26Å; Q218-Q417 VanDerWaalsContact O-OE1 3.1Å; Q415-Q417 PolarHBondContact O-N 2.97Å; Q417-G434 CarbonylContact O-C 3.4Å; Q417-G434 WeakPolarHBondContact O-CA 3.47Å; Q417-T435 PolarHBondContact N-O 2.86Å; Q417-T435 PolarHBondContact O-N 3Å; Q417-T435 PolarHBondContact O-OG1 3.22Å
418W92.2Very high86.7Confident32 Ų3247.8 Ų47.812%0.12124%0.238CC..EExtended strand (participates in β ladder)trans-106.4137.3177-63.193.3000109.7L64 R67 Q218 V416 I432 G434 V465 Y591L64-W418 HydrophobicContact CB-CH2 4.32Å; L64-W418 HydrophobicContact CB-CZ2 3.68Å; L64-W418 HydrophobicContact CD2-CD2 4.35Å; L64-W418 HydrophobicContact CD2-CE3 4.23Å; L64-W418 HydrophobicContact CD2-CH2 3.5Å; L64-W418 VanDerWaalsContact CD2-CH2 3.5Å; L64-W418 HydrophobicContact CD2-CZ2 3.6Å; L64-W418 HydrophobicContact CD2-CZ3 3.82Å; L64-W418 HydrophobicContact CG-CH2 4.46Å; L64-W418 HydrophobicContact CG-CZ2 4.13Å; R67-W418 HydrophobicContact CB-CH2 3.9Å; Q218-W418 PolarHBondContact NE2-O 3.24Å; V416-W418 HydrophobicContact CG1-CZ2 4.25Å; W418-I432 HydrophobicContact CE3-CD1 3.9Å; W418-I432 HydrophobicContact CE3-CG1 4.19Å; W418-I432 HydrophobicContact CZ3-CD1 4.37Å; W418-G434 VanDerWaalsContact CE3-CA 3.48Å; W418-G434 VanDerWaalsContact CZ3-N 3.34Å; W418-V465 HydrophobicContact CH2-CG2 4Å; W418-V465 HydrophobicContact CZ3-CB 4.46Å; W418-V465 HydrophobicContact CZ3-CG2 3.72Å; W418-Y591 HydrophobicContact CB-CE2 4.07Å; W418-Y591 WeakPolarHBondContact CB-OH 3.43Å; W418-Y591 HydrophobicContact CG-CE2 4.1Å
419T91.9Very high86.5Confident2 Ų246.4 Ų46.41%0.01224%0.237CC..PPolyproline II helixtrans-79.1161.3178.562.30000112.8W215 T433 T435W215-T419 VanDerWaalsContact CA-CG2 3.41Å; W215-T419 HydrophobicContact CB-CG2 3.54Å; T419-T433 PolarHBondContact N-O 3.5Å; T419-T433 VanDerWaalsContact N-O 3.08Å; T419-T433 PolarHBondContact OG1-N 3.08Å; T419-T435 HydrophobicContact CG2-CG2 4.24Å
420N90.8Very high86.6Confident24 Ų2446.1 Ų46.113%0.12823%0.232CC..PPolyproline II helixtrans-56.8158.9160.3-63.6-18.1000110.6D257 Y422 P530 T532D257-N420 PolarHBondContact OD2-ND2 3.42Å; N420-Y422 WeakPolarHBondContact O-CD1 3.45Å; N420-Y422 PolarHBondContact O-N 3Å; N420-P530 HydrophobicContact CB-CB 4.34Å; N420-T532 HydrophobicContact CB-CG2 4.12Å
421V90.7Very high86.8Confident4 Ų444 Ų442%0.02422%0.221CC..PPolyproline II helixtrans-63.7132.3175.9-179.70000110.5L430 I432 L467 L495 V531V421-L430 HydrophobicContact CG1-CB 3.88Å; V421-L430 HydrophobicContact CG1-CD1 4.47Å; V421-L430 HydrophobicContact CG1-CD2 3.86Å; V421-L430 HydrophobicContact CG1-CG 4.28Å; V421-I432 HydrophobicContact CG2-CG2 3.96Å; V421-L467 HydrophobicContact CG1-CD1 3.81Å; V421-L467 HydrophobicContact CG2-CD1 4.19Å; V421-L467 HydrophobicContact CG2-CD2 4.31Å; V421-L495 HydrophobicContact CG2-CD1 3.69Å; V421-V531 PolarHBondContact O-N 2.65Å
422Y87.4Confident87.3Confident17 Ų1736 Ų367%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-144.7167.9173.571.1-81.4000111.6N420 L430 V431 T433N420-Y422 WeakPolarHBondContact O-CD1 3.45Å; N420-Y422 PolarHBondContact O-N 3Å; Y422-L430 WeakPolarHBondContact O-CA 2.97Å; Y422-V431 HydrophobicContact CD1-CG2 4.39Å; Y422-V431 HydrophobicContact CD2-CG2 4.42Å; Y422-V431 HydrophobicContact CE1-CG2 3.98Å; Y422-V431 HydrophobicContact CE2-CG2 4Å; Y422-V431 PolarHBondContact N-O 3.02Å; Y422-V431 VanDerWaalsContact N-O 3.08Å; Y422-V431 PolarHBondContact O-N 3.47Å; Y422-T433 WeakPolarHBondContact CE1-OG1 3.46Å; Y422-T433 PolarHBondContact OH-OG1 2.96Å
423L84.1Confident87.6Confident50 Ų5029.4 Ų29.426%0.26216%0.155SC..EExtended strand (participates in β ladder)trans-83125.2175.1-72.1170.1000109.9A425 L430 P502L423-A425 PolarHBondContact O-N 2.88Å; L423-L430 HydrophobicContact CD2-CD2 3.63Å; L423-L430 HydrophobicContact CD2-CG 4.22Å; L423-L430 HydrophobicContact CG-CD2 4.08Å; L423-P502 HydrophobicContact CD2-CB 4.38Å
424D84.7Confident88.1Confident17 Ų1729.1 Ų29.19%0.09115%0.153CC..  trans-56.5137.6177.1177.521.7000111W177 L426 E427 L428 G429 V431W177-D424 PolarHBondContact NE1-OD2 3.42Å; W177-D424 VanDerWaalsContact NE1-OD2 3.14Å; D424-L426 PolarHBondContact O-N 2.76Å; D424-L426 PolarHBondContact OD1-N 3.18Å; D424-L426 VanDerWaalsContact OD1-N 3.07Å; D424-L426 WeakPolarHBondContact OD2-CB 3.43Å; D424-E427 PolarHBondContact O-N 3.12Å; D424-L428 HydrophobicContact CB-CB 3.93Å; D424-L428 WeakPolarHBondContact OD2-CB 3.35Å; D424-L428 PolarHBondContact OD2-N 3.44Å; D424-G429 PolarHBondContact N-O 3.05Å; D424-V431 HydrophobicContact CB-CG1 4.1Å; D424-V431 HydrophobicContact CB-CG2 3.97Å
425A81.4Confident88.4Confident41 Ų4127.1 Ų27.134%0.33914%0.144SC..THydrogen-bonded Turntrans-62.3-30.1176.200000112W195 Y208 L423 E427W195-A425 HydrophobicContact CH2-CB 4.14Å; W195-A425 HydrophobicContact CZ2-CB 4.46Å; Y208-A425 HydrophobicContact CD2-CB 3.93Å; Y208-A425 HydrophobicContact CE2-CB 3.51Å; L423-A425 PolarHBondContact O-N 2.88Å; A425-E427 VanDerWaalsContact C-N 3.34Å
426L80.9Confident88.7Confident9 Ų922.7 Ų22.75%0.04712%0.123CC..THydrogen-bonded Turntrans-86.710.3174.3-72.9175.9000111.9R129 W177 Y189 W195 D424 L428R129-L426 PolarHBondContact NH1-O 2.83Å; R129-L426 PolarHBondContact NH2-O 3.1Å; W177-L426 HydrophobicContact CD2-CD1 3.89Å; W177-L426 VanDerWaalsContact CE2-CD1 3.46Å; W177-L426 HydrophobicContact CE3-CD1 4.24Å; W177-L426 HydrophobicContact CH2-CD1 3.9Å; W177-L426 HydrophobicContact CZ2-CB 4.15Å; W177-L426 HydrophobicContact CZ2-CD1 3.48Å; W177-L426 VanDerWaalsContact CZ2-CD1 3.48Å; W177-L426 HydrophobicContact CZ2-CG 4.42Å; W177-L426 HydrophobicContact CZ3-CD1 4.26Å; Y189-L426 HydrophobicContact CD2-CD1 4.23Å; Y189-L426 HydrophobicContact CE2-CD1 3.99Å; W195-L426 HydrophobicContact CD2-CD2 4.37Å; W195-L426 HydrophobicContact CE3-CD2 3.68Å; W195-L426 HydrophobicContact CE3-CG 4.48Å; W195-L426 HydrophobicContact CZ3-CD2 3.78Å; W195-L426 HydrophobicContact CZ3-CG 4.1Å; D424-L426 PolarHBondContact O-N 2.76Å; D424-L426 PolarHBondContact OD1-N 3.18Å; D424-L426 VanDerWaalsContact OD1-N 3.07Å; D424-L426 WeakPolarHBondContact OD2-CB 3.43Å; L426-L428 PolarHBondContact O-N 3.07Å
427E78.5Confident88.9Confident129 Ų12921.4 Ų21.460%0.60312%0.116SC*.SBendtrans67.224.9177.4-44.1-178.3163.200115.9D424 A425 G429D424-E427 PolarHBondContact O-N 3.12Å; A425-E427 VanDerWaalsContact C-N 3.34Å; E427-G429 VanDerWaalsContact C-N 3.29Å; E427-G429 PolarHBondContact O-N 3.29Å
428L80.5Confident89.1Confident7 Ų718.1 Ų18.14%0.03710%0.1CC..  trans-66-32.8172.7-171.168.8000113L176 D424 L426 V431L176-L428 HydrophobicContact CB-CD2 4.38Å; L176-L428 HydrophobicContact CD1-CD2 3.76Å; L176-L428 HydrophobicContact CD2-CD2 3.93Å; L176-L428 HydrophobicContact CG-CD2 4.23Å; D424-L428 HydrophobicContact CB-CB 3.93Å; D424-L428 WeakPolarHBondContact OD2-CB 3.35Å; D424-L428 PolarHBondContact OD2-N 3.44Å; L426-L428 PolarHBondContact O-N 3.07Å; L428-V431 HydrophobicContact CD2-CG1 4.06Å
429G83.9Confident89.1Confident23 Ų2316.6 Ų16.624%0.23710%0.095CC..  trans134.6-152.1-175.700000111.5D424 E427D424-G429 PolarHBondContact N-O 3.05Å; E427-G429 VanDerWaalsContact C-N 3.29Å; E427-G429 PolarHBondContact O-N 3.29Å
430L88.2Confident89Confident16 Ų1617.8 Ų17.88%0.08410%0.101CC..EExtended strand (participates in β ladder)trans-78.3125.5172.2-65.6172.2000109.8V421 Y422 L423 L467 L500 P502 V531V421-L430 HydrophobicContact CG1-CB 3.88Å; V421-L430 HydrophobicContact CG1-CD1 4.47Å; V421-L430 HydrophobicContact CG1-CD2 3.86Å; V421-L430 HydrophobicContact CG1-CG 4.28Å; Y422-L430 WeakPolarHBondContact O-CA 2.97Å; L423-L430 HydrophobicContact CD2-CD2 3.63Å; L423-L430 HydrophobicContact CD2-CG 4.22Å; L423-L430 HydrophobicContact CG-CD2 4.08Å; L430-L467 HydrophobicContact CB-CD1 3.61Å; L430-L467 HydrophobicContact CB-CG 4.02Å; L430-L467 HydrophobicContact CD1-CD1 4.05Å; L430-L467 HydrophobicContact CG-CD1 4.48Å; L430-L467 PolarHBondContact O-N 2.82Å; L430-L467 VanDerWaalsContact O-N 3.12Å; L430-L500 HydrophobicContact CD1-CG 4.41Å; L430-P502 HydrophobicContact CD1-CB 4.27Å; L430-P502 HydrophobicContact CG-CB 4.18Å; L430-V531 HydrophobicContact CD2-CB 4.44Å; L430-V531 HydrophobicContact CD2-CG2 4Å
431V91.6Very high88.7Confident0 Ų020.3 Ų20.30%011%0.109CC..EExtended strand (participates in β ladder)trans-133157.2-177-59.70000111Y422 D424 L428 V465Y422-V431 HydrophobicContact CD1-CG2 4.39Å; Y422-V431 HydrophobicContact CD2-CG2 4.42Å; Y422-V431 HydrophobicContact CE1-CG2 3.98Å; Y422-V431 HydrophobicContact CE2-CG2 4Å; Y422-V431 PolarHBondContact N-O 3.02Å; Y422-V431 VanDerWaalsContact N-O 3.08Å; Y422-V431 PolarHBondContact O-N 3.47Å; D424-V431 HydrophobicContact CB-CG1 4.1Å; D424-V431 HydrophobicContact CB-CG2 3.97Å; L428-V431 HydrophobicContact CD2-CG1 4.06Å; V431-V465 WeakPolarHBondContact CA-O 3.33Å
432I94.1Very high88.3Confident0 Ų022.1 Ų22.10%012%0.12CC..EExtended strand (participates in β ladder)trans-115149.715960172000108.6L64 W418 V421 V465 I470 L495 Y591L64-I432 HydrophobicContact CD2-CD1 4.38Å; W418-I432 HydrophobicContact CE3-CD1 3.9Å; W418-I432 HydrophobicContact CE3-CG1 4.19Å; W418-I432 HydrophobicContact CZ3-CD1 4.37Å; V421-I432 HydrophobicContact CG2-CG2 3.96Å; I432-V465 HydrophobicContact CD1-CB 4.46Å; I432-V465 HydrophobicContact CG1-CB 3.91Å; I432-V465 HydrophobicContact CG1-CG1 4.49Å; I432-V465 PolarHBondContact N-O 3.3Å; I432-V465 PolarHBondContact O-N 3.13Å; I432-I470 HydrophobicContact CD1-CD1 3.96Å; I432-L495 HydrophobicContact CD1-CD1 4.11Å; I432-L495 HydrophobicContact CG2-CD1 3.37Å; I432-Y591 HydrophobicContact CD1-CE2 4.44Å
433T94.3Very high87.7Confident0 Ų028.1 Ų28.10%015%0.146CC..EExtended strand (participates in β ladder)trans-120.8127.2-179.1-55.10000109.1W215 T419 Y422 T435 A462 I463 D464W215-T433 HydrophobicContact CB-CG2 3.93Å; W215-T433 HydrophobicContact CG-CG2 4.21Å; T419-T433 PolarHBondContact N-O 3.5Å; T419-T433 VanDerWaalsContact N-O 3.08Å; T419-T433 PolarHBondContact OG1-N 3.08Å; Y422-T433 WeakPolarHBondContact CE1-OG1 3.46Å; Y422-T433 PolarHBondContact OH-OG1 2.96Å; T433-T435 HydrophobicContact CG2-CG2 4.04Å; T433-A462 HydrophobicContact CG2-CB 3.31Å; T433-I463 WeakPolarHBondContact CA-O 3.18Å; T433-D464 WeakPolarHBondContact CB-OD1 3.49Å; T433-D464 WeakPolarHBondContact CG2-OD1 3.37Å; T433-D464 PolarHBondContact OG1-OD1 3.49Å
434G95.3Very high86.8Confident0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-82.3130.1167.700000108.8L71 Q417 W418 A462 I463L71-G434 VanDerWaalsContact CD1-C 3.5Å; L71-G434 VanDerWaalsContact CD1-O 3.28Å; L71-G434 WeakPolarHBondContact CD1-O 3.18Å; Q417-G434 CarbonylContact O-C 3.4Å; Q417-G434 WeakPolarHBondContact O-CA 3.47Å; W418-G434 VanDerWaalsContact CE3-CA 3.48Å; W418-G434 VanDerWaalsContact CZ3-N 3.34Å; G434-A462 VanDerWaalsContact O-CA 3.27Å; G434-A462 WeakPolarHBondContact O-CA 3.4Å; G434-I463 PolarHBondContact N-O 3.35Å; G434-I463 PolarHBondContact O-N 3.41Å
435T95.2Very high85.6Confident1 Ų132 Ų321%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-122.8145-172.664.80000110.9W215 V416 Q417 T419 T433 M461 A462W215-T435 HydrophobicContact CB-CG2 3.62Å; W215-T435 HydrophobicContact CE3-CG2 4.31Å; W215-T435 WeakPolarHBondContact O-CG2 3.39Å; V416-T435 WeakPolarHBondContact CA-O 3.04Å; Q417-T435 PolarHBondContact N-O 2.86Å; Q417-T435 PolarHBondContact O-N 3Å; Q417-T435 PolarHBondContact O-OG1 3.22Å; T419-T435 HydrophobicContact CG2-CG2 4.24Å; T433-T435 HydrophobicContact CG2-CG2 4.04Å; T435-M461 WeakPolarHBondContact CA-O 3.31Å; T435-A462 HydrophobicContact CG2-CB 4.49Å
436L95.4Very high84.4Confident3 Ų333.4 Ų33.42%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-146.8125.9176.6-166.868.9000110.1E72 A75 K414 V416 M461E72-L436 HydrophobicContact CG-CD2 4.11Å; A75-L436 HydrophobicContact CB-CD2 3.62Å; A75-L436 HydrophobicContact CB-CG 4.26Å; K414-L436 HydrophobicContact CB-CD1 4.16Å; V416-L436 HydrophobicContact CG2-CD1 4.1Å; L436-M461 PolarHBondContact N-O 3.04Å; L436-M461 PolarHBondContact O-N 3.18Å
437P95.1Very high83.1Confident5 Ų541.7 Ų41.73%0.03222%0.218CC..EExtended strand (participates in β ladder)trans-70.4145.6177.926-32.3000112.2G219 M406 F439G219-P437 WeakPolarHBondContact O-CB 3.4Å; M406-P437 HydrophobicContact CE-CB 3.98Å; M406-P437 HydrophobicContact CE-CG 4.05Å; M406-P437 HydrophobicContact SD-CG 4.49Å; P437-F439 HydrophobicContact CB-CD1 4.34Å; P437-F439 HydrophobicContact CB-CE1 3.65Å; P437-F439 HydrophobicContact CB-CZ 4.22Å; P437-F439 HydrophobicContact CG-CE1 3.83Å; P437-F439 HydrophobicContact CG-CZ 3.88Å
438V94.8Very high82Confident0 Ų046.4 Ų46.40%023%0.231CC..EExtended strand (participates in β ladder)trans-108.8123.6174.5-174.50000108.7A75 A78 E79 F180 I457 L458 G459 M461A75-V438 HydrophobicContact CB-CG2 4.15Å; A78-V438 HydrophobicContact CB-CG1 3.68Å; A78-V438 HydrophobicContact CB-CG2 4.38Å; E79-V438 HydrophobicContact CG-CG1 3.65Å; F180-V438 HydrophobicContact CD2-CG2 4.47Å; F180-V438 HydrophobicContact CE2-CB 4.38Å; F180-V438 HydrophobicContact CE2-CG2 4.08Å; V438-I457 CarbonylContact O-C 3.51Å; V438-I457 WeakPolarHBondContact O-CA 3.34Å; V438-L458 HydrophobicContact CB-CB 4.37Å; V438-L458 HydrophobicContact CG1-CB 4.14Å; V438-L458 HydrophobicContact CG1-CD1 4Å; V438-L458 PolarHBondContact O-N 2.84Å; V438-G459 PolarHBondContact N-O 2.93Å; V438-M461 HydrophobicContact CG2-CB 4.35Å; V438-M461 HydrophobicContact CG2-CE 4.34Å; V438-M461 HydrophobicContact CG2-CG 3.49Å; V438-M461 VanDerWaalsContact CG2-CG 3.49Å
439F92.8Very high80.8Confident0 Ų052.9 Ų52.90%027%0.265CS..EExtended strand (participates in β ladder)trans-97.5142-174.1-58.5-34.8000113.3E79 M406 V407 A413 K414 P437 R441 I457E79-F439 WeakPolarHBondContact CG-O 3.49Å; E79-F439 PolarHBondContact OE1-N 2.88Å; M406-F439 HydrophobicContact CE-CE1 4.3Å; M406-F439 HydrophobicContact CG-CZ 4.49Å; V407-F439 HydrophobicContact CB-CD1 4.27Å; V407-F439 HydrophobicContact CB-CE1 4.5Å; V407-F439 HydrophobicContact CG1-CB 4.19Å; V407-F439 HydrophobicContact CG1-CD1 4.25Å; V407-F439 HydrophobicContact CG1-CG 4.19Å; V407-F439 HydrophobicContact CG2-CD1 3.73Å; V407-F439 HydrophobicContact CG2-CE1 3.97Å; V407-F439 HydrophobicContact CG2-CG 4.47Å; A413-F439 HydrophobicContact CB-CE2 4.37Å; A413-F439 HydrophobicContact CB-CZ 3.93Å; K414-F439 HydrophobicContact CD-CE2 4.34Å; K414-F439 HydrophobicContact CG-CD2 4.47Å; K414-F439 HydrophobicContact CG-CE2 3.76Å; K414-F439 HydrophobicContact CG-CZ 4.33Å; P437-F439 HydrophobicContact CB-CD1 4.34Å; P437-F439 HydrophobicContact CB-CE1 3.65Å; P437-F439 HydrophobicContact CB-CZ 4.22Å; P437-F439 HydrophobicContact CG-CE1 3.83Å; P437-F439 HydrophobicContact CG-CZ 3.88Å; F439-R441 PolarHBondContact O-N 3.35Å; F439-I457 HydrophobicContact CD1-CG2 4.01Å; F439-I457 HydrophobicContact CE1-CG2 4.13Å
440N90.3Very high79.3Confident27 Ų2753.7 Ų53.714%0.14427%0.27CS..  trans-76.3108172.5-167.3-14.1000110.5T442 N454 L456 L458N440-T442 VanDerWaalsContact CG-OG1 3.32Å; N440-T442 PolarHBondContact ND2-OG1 3.3Å; N440-T442 WeakPolarHBondContact OD1-CB 3.4Å; N440-T442 WeakPolarHBondContact OD1-CG2 3.29Å; N440-T442 PolarHBondContact OD1-N 3.07Å; N440-T442 VanDerWaalsContact OD1-N 3.14Å; N440-T442 PolarHBondContact OD1-OG1 2.95Å; N440-N454 HydrophobicContact CB-CB 4.09Å; N440-L456 WeakPolarHBondContact CB-O 3.42Å; N440-L456 PolarHBondContact N-O 3.01Å; N440-L458 HydrophobicContact CB-CD2 3.76Å; N440-L458 HydrophobicContact CB-CG 3.88Å
441R84.4Confident77.9Confident77 Ų7760.4 Ų60.429%0.29130%0.298SS..  trans-93.89.4-177.7-69.3-172.6165.1179.3-6114.5E79 K83 D410 F439E79-R441 IonicContact OE2-CZ 3.95Å; E79-R441 IonicContact OE2-NE 3.82Å; E79-R441 PolarHBondContact OE2-NE 2.91Å; E79-R441 IonicContact OE2-NH1 2.98Å; E79-R441 PolarHBondContact OE2-NH1 3.33Å; E79-R441 VanDerWaalsContact OE2-NH1 3.12Å; E79-R441 IonicContact OE2-NH2 3.3Å; E79-R441 PolarHBondContact OE2-NH2 3.44Å; K83-R441 HydrophobicContact CD-CB 4.48Å; D410-R441 IonicContact OD1-CZ 2.75Å; D410-R441 IonicContact OD1-NE 3.79Å; D410-R441 IonicContact OD1-NH2 2.84Å; D410-R441 PolarHBondContact OD1-NH2 3.33Å; D410-R441 IonicContact OD2-NH2 3.89Å; F439-R441 PolarHBondContact O-N 3.35Å
442T82.6Confident76.6Confident42 Ų4264.5 Ų64.526%0.25832%0.317SS..  trans-67.1144.7172.654.10000110.2N440 N454N440-T442 VanDerWaalsContact CG-OG1 3.32Å; N440-T442 PolarHBondContact ND2-OG1 3.3Å; N440-T442 WeakPolarHBondContact OD1-CB 3.4Å; N440-T442 WeakPolarHBondContact OD1-CG2 3.29Å; N440-T442 PolarHBondContact OD1-N 3.07Å; N440-T442 VanDerWaalsContact OD1-N 3.14Å; N440-T442 PolarHBondContact OD1-OG1 2.95Å; T442-N454 PolarHBondContact O-N 2.94Å; T442-N454 PolarHBondContact OG1-ND2 3.24Å
443K74.4Confident75.4Confident144 Ų14468.4 Ų68.463%0.62634%0.336SS*.EExtended strand (participates in β ladder)trans-107.7119.1179.3-66-173.9178.8-171.70108.3H452K443-H452 CarbonylContact C-O 3.55Å; K443-H452 WeakPolarHBondContact CA-O 3.44Å
444T63.9Low74.7Confident58 Ų5870.6 Ų70.636%0.35635%0.347SS..EExtended strand (participates in β ladder)trans-82.9145.2169.649.20000109K451 H452 N454T444-K451 CarbonylContact O-C 3.38Å; T444-K451 WeakPolarHBondContact O-CA 3.49Å; T444-H452 PolarHBondContact N-O 3.35Å; T444-H452 PolarHBondContact O-N 2.89Å; T444-H452 PolarHBondContact OG1-O 2.69Å; T444-N454 WeakPolarHBondContact CG2-OD1 3.28Å
445V60.7Low74.1Confident90 Ų9072 Ų7255%0.54535%0.354SS..EExtended strand (participates in β ladder)trans-109.3115174.8-177.70000106.5K451V445-K451 HydrophobicContact CG2-CG 4.41Å
446D55.8Low73.7Confident71 Ų7175.8 Ų75.838%0.3837%0.374SS..  trans-68.5162.5175.2-82.621.7000111.6R448 N449 A450 H452D446-R448 PolarHBondContact O-N 2.97Å; D446-N449 PolarHBondContact O-N 2.96Å; D446-A450 HydrophobicContact CB-CB 4.45Å; D446-A450 PolarHBondContact N-O 3.49Å; D446-H452 VanDerWaalsContact CG-CE1 3.5Å; D446-H452 IonicContact OD1-CE1 3.93Å; D446-H452 IonicContact OD1-CG 3.86Å; D446-H452 IonicContact OD1-ND1 3.46Å; D446-H452 PolarHBondContact OD1-ND1 2.72Å; D446-H452 IonicContact OD2-CE1 2.82Å; D446-H452 PolarHBondContact OD2-CE1 2.94Å; D446-H452 IonicContact OD2-ND1 3.32Å; D446-H452 PolarHBondContact OD2-ND1 3.02Å
447D53.4Low73.5Confident182 Ų18276.1 Ų76.197%0.97338%0.376SS*.THydrogen-bonded Turntrans-51.3-18.4170.4-70-28.4000114
448R55.7Low73.4Confident229 Ų22976.5 Ų76.586%0.86438%0.377SS*.THydrogen-bonded Turntrans-96.711.2176.7-57.6-174.3-167.9-178.46.9114.3D446 A450D446-R448 PolarHBondContact O-N 2.97Å; R448-A450 PolarHBondContact O-N 3.42Å
449N54.5Low73.4Confident142 Ų14276.5 Ų76.576%0.75938%0.377SS*.SBendtrans59.417.7-172.4-69.6-41.5000114.8D446D446-N449 PolarHBondContact O-N 2.96Å
450A53.4Low73.5Confident40 Ų4076.5 Ų76.533%0.33138%0.377SS..  trans-79.7132.3170.700000109.2D446 R448D446-A450 HydrophobicContact CB-CB 4.45Å; D446-A450 PolarHBondContact N-O 3.49Å; R448-A450 PolarHBondContact O-N 3.42Å
451K58.5Low73.8Confident157 Ų15775.2 Ų75.268%0.68337%0.37SS*.EExtended strand (participates in β ladder)trans-89.6104.4177.4-68.5-176.7-179.7-178.60108.9T444 V445T444-K451 CarbonylContact O-C 3.38Å; T444-K451 WeakPolarHBondContact O-CA 3.49Å; V445-K451 HydrophobicContact CG2-CG 4.41Å
452H64.6Low74.4Confident86 Ų8671.5 Ų71.540%0.39836%0.356SS..EExtended strand (participates in β ladder)trans-90.4143.5170.7-66.5101.4000109.9K443 T444 D446K443-H452 CarbonylContact C-O 3.55Å; K443-H452 WeakPolarHBondContact CA-O 3.44Å; T444-H452 PolarHBondContact N-O 3.35Å; T444-H452 PolarHBondContact O-N 2.89Å; T444-H452 PolarHBondContact OG1-O 2.69Å; D446-H452 VanDerWaalsContact CG-CE1 3.5Å; D446-H452 IonicContact OD1-CE1 3.93Å; D446-H452 IonicContact OD1-CG 3.86Å; D446-H452 IonicContact OD1-ND1 3.46Å; D446-H452 PolarHBondContact OD1-ND1 2.72Å; D446-H452 IonicContact OD2-CE1 2.82Å; D446-H452 PolarHBondContact OD2-CE1 2.94Å; D446-H452 IonicContact OD2-ND1 3.32Å; D446-H452 PolarHBondContact OD2-ND1 3.02Å
453Q67.9Low75Confident83 Ų8369.5 Ų69.539%0.38834%0.344SS..EExtended strand (participates in β ladder)trans-90.5136.7172.3-172.7170-25.400107.7Q455Q453-Q455 PolarHBondContact O-N 3.5Å
454N79.5Confident75.9Confident46 Ų4663 Ų6325%0.24632%0.316CS..PPolyproline II helixtrans-60133175.7-82.7-20.2000110.3N440 T442 T444N440-N454 HydrophobicContact CB-CB 4.09Å; T442-N454 PolarHBondContact O-N 2.94Å; T442-N454 PolarHBondContact OG1-ND2 3.24Å; T444-N454 WeakPolarHBondContact CG2-OD1 3.28Å
455Q83.1Confident77.4Confident28 Ų2860.3 Ų60.313%0.13130%0.299CS..  trans-99.610.6-172.9-57.3-172.7-1.700112.9R404 V407 L408 Q453 N1037R404-Q455 WeakPolarHBondContact CA-O 3.4Å; R404-Q455 HydrophobicContact CB-CB 4.2Å; R404-Q455 HydrophobicContact CG-CB 4.18Å; V407-Q455 WeakPolarHBondContact CG2-O 3.5Å; L408-Q455 HydrophobicContact CD2-CG 4.34Å; Q453-Q455 PolarHBondContact O-N 3.5Å; Q455-N1037 PolarHBondContact NE2-O 3.4Å
456L86.8Confident78.8Confident82 Ų8256.4 Ų56.443%0.42928%0.276SS..SBendtrans-102.6151.3179.8-60.5179.5000111.2D400 N440D400-L456 HydrophobicContact CB-CD2 4.14Å; N440-L456 WeakPolarHBondContact CB-O 3.42Å; N440-L456 PolarHBondContact N-O 3.01Å
457I91.7Very high80.5Confident10 Ų1053.1 Ų53.15%0.05126%0.259CS..EExtended strand (participates in β ladder)trans-76.6146.2167.665.8176.4000109.3A220 M406 V407 V438 F439 G459 V460A220-I457 HydrophobicContact CB-CD1 3.7Å; M406-I457 HydrophobicContact CE-CG2 4.32Å; V407-I457 HydrophobicContact CG2-CG2 3.72Å; V438-I457 CarbonylContact O-C 3.51Å; V438-I457 WeakPolarHBondContact O-CA 3.34Å; F439-I457 HydrophobicContact CD1-CG2 4.01Å; F439-I457 HydrophobicContact CE1-CG2 4.13Å; I457-G459 VanDerWaalsContact C-N 3.3Å; I457-V460 HydrophobicContact CD1-CG2 4.45Å
458L92.6Very high82.1Confident12 Ų1247.6 Ų47.66%0.06323%0.229CC..EExtended strand (participates in β ladder)trans-75.7-29.1167.1-67.9174.2000110.9Q82 F180 A183 V438 N440Q82-L458 HydrophobicContact CB-CD1 3.61Å; Q82-L458 HydrophobicContact CG-CD1 3.56Å; Q82-L458 HydrophobicContact CG-CD2 3.7Å; Q82-L458 HydrophobicContact CG-CG 4.29Å; F180-L458 HydrophobicContact CZ-CB 4.49Å; A183-L458 PolarHBondContact N-O 3.36Å; V438-L458 HydrophobicContact CB-CB 4.37Å; V438-L458 HydrophobicContact CG1-CB 4.14Å; V438-L458 HydrophobicContact CG1-CD1 4Å; V438-L458 PolarHBondContact O-N 2.84Å; N440-L458 HydrophobicContact CB-CD2 3.76Å; N440-L458 HydrophobicContact CB-CG 3.88Å
459G94Very high83.8Confident0 Ų038.4 Ų38.40%020%0.197CC..EExtended strand (participates in β ladder)trans159.2-167.9-173.900000111.6G181 V438 I457G181-G459 CarbonylContact O-C 3.54Å; G181-G459 WeakPolarHBondContact O-CA 3.33Å; V438-G459 PolarHBondContact N-O 2.93Å; I457-G459 VanDerWaalsContact C-N 3.3Å
460V96Very high85.5Confident0 Ų031.8 Ų31.80%016%0.161CC..EExtended strand (participates in β ladder)trans-124.9130.1179.7-179.20000108.9G181 W215 Y216 A220 I457G181-V460 PolarHBondContact N-O 3.01Å; G181-V460 PolarHBondContact O-N 3.33Å; W215-V460 HydrophobicContact CE3-CG1 4.12Å; W215-V460 HydrophobicContact CZ3-CB 4.08Å; W215-V460 HydrophobicContact CZ3-CG1 4.06Å; Y216-V460 HydrophobicContact CD2-CB 3.83Å; Y216-V460 HydrophobicContact CD2-CG2 3.85Å; Y216-V460 HydrophobicContact CE2-CB 4.11Å; Y216-V460 HydrophobicContact CE2-CG2 3.87Å; Y216-V460 HydrophobicContact CG-CB 4.49Å; Y216-V460 HydrophobicContact CG-CG2 4.24Å; A220-V460 HydrophobicContact CB-CG2 4.29Å; I457-V460 HydrophobicContact CD1-CG2 4.45Å
461M96.6Very high87.2Confident0 Ų034.4 Ų34.40%017%0.165CC..EExtended strand (participates in β ladder)trans-86.5140.3169.1-73.8-69.3179.100109.5L71 L74 A75 A78 L161 F180 T435 L436 V438L71-M461 HydrophobicContact CD2-CB 3.98Å; L74-M461 HydrophobicContact CB-CE 4.49Å; L74-M461 HydrophobicContact CB-CG 4.31Å; L74-M461 HydrophobicContact CB-SD 4.12Å; A75-M461 HydrophobicContact CB-CG 4.39Å; A78-M461 HydrophobicContact CB-CE 3.54Å; L161-M461 HydrophobicContact CD1-CE 3.77Å; L161-M461 HydrophobicContact CD2-CE 3.95Å; F180-M461 HydrophobicContact CB-CE 3.71Å; F180-M461 HydrophobicContact CB-SD 3.58Å; F180-M461 VanDerWaalsContact CB-SD 3.58Å; F180-M461 HydrophobicContact CD2-CE 3.28Å; F180-M461 HydrophobicContact CD2-CG 4.12Å; F180-M461 HydrophobicContact CD2-SD 3.59Å; F180-M461 VanDerWaalsContact CD2-SD 3.59Å; F180-M461 HydrophobicContact CE2-CE 4.07Å; F180-M461 HydrophobicContact CG-CE 3.62Å; F180-M461 HydrophobicContact CG-SD 3.97Å; T435-M461 WeakPolarHBondContact CA-O 3.31Å; L436-M461 PolarHBondContact N-O 3.04Å; L436-M461 PolarHBondContact O-N 3.18Å; V438-M461 HydrophobicContact CG2-CB 4.35Å; V438-M461 HydrophobicContact CG2-CE 4.34Å; V438-M461 HydrophobicContact CG2-CG 3.49Å; V438-M461 VanDerWaalsContact CG2-CG 3.49Å
462A95.8Very high88.6Confident0 Ų032.6 Ų32.60%016%0.158CC..EExtended strand (participates in β ladder)trans-139.6143.7-179.500000112.1V179 W215 T433 G434 T435V179-A462 HydrophobicContact CG1-CB 3.42Å; V179-A462 VanDerWaalsContact CG1-CB 3.42Å; V179-A462 PolarHBondContact N-O 3.09Å; V179-A462 PolarHBondContact O-N 2.9Å; W215-A462 HydrophobicContact CD2-CB 4.01Å; W215-A462 HydrophobicContact CE3-CB 3.48Å; W215-A462 VanDerWaalsContact CE3-CB 3.48Å; W215-A462 HydrophobicContact CH2-CB 4.19Å; W215-A462 HydrophobicContact CZ3-CB 3.6Å; T433-A462 HydrophobicContact CG2-CB 3.31Å; G434-A462 VanDerWaalsContact O-CA 3.27Å; G434-A462 WeakPolarHBondContact O-CA 3.4Å; T435-A462 HydrophobicContact CG2-CB 4.49Å
463I95.8Very high89.8Confident0 Ų030.7 Ų30.70%015%0.15CC..EExtended strand (participates in β ladder)trans-132.6130.1171.8-66.2-177.5000108.9A70 L71 L74 L175 W177 Q178 T433 G434A70-I463 HydrophobicContact CB-CD1 3.7Å; L71-I463 HydrophobicContact CD1-CB 4.35Å; L71-I463 HydrophobicContact CD2-CB 4.16Å; L71-I463 HydrophobicContact CD2-CD1 4.04Å; L71-I463 HydrophobicContact CD2-CG1 3.62Å; L71-I463 HydrophobicContact CG-CB 4.09Å; L71-I463 HydrophobicContact CG-CD1 3.72Å; L71-I463 HydrophobicContact CG-CG1 3.74Å; L74-I463 HydrophobicContact CD1-CD1 4.14Å; L74-I463 HydrophobicContact CD1-CG1 4.48Å; L175-I463 HydrophobicContact CD1-CD1 4.4Å; L175-I463 HydrophobicContact CD2-CD1 4.41Å; L175-I463 HydrophobicContact CD2-CG2 3.61Å; L175-I463 HydrophobicContact CG-CG2 4.21Å; W177-I463 WeakPolarHBondContact O-CA 3.34Å; Q178-I463 HydrophobicContact CG-CD1 4.32Å; Q178-I463 HydrophobicContact CG-CG1 4.15Å; T433-I463 WeakPolarHBondContact CA-O 3.18Å; G434-I463 PolarHBondContact N-O 3.35Å; G434-I463 PolarHBondContact O-N 3.41Å
464D94.1Very high90.8Very high6 Ų627.3 Ų27.33%0.03214%0.135CC..EExtended strand (participates in β ladder)trans-86.2145.3-179.8-68-20.8000112.8L176 W177 T433L176-D464 HydrophobicContact CB-CB 4.38Å; W177-D464 HydrophobicContact CB-CB 4.42Å; W177-D464 PolarHBondContact O-N 3.48Å; W177-D464 VanDerWaalsContact O-N 3.1Å; T433-D464 WeakPolarHBondContact CB-OD1 3.49Å; T433-D464 WeakPolarHBondContact CG2-OD1 3.37Å; T433-D464 PolarHBondContact OG1-OD1 3.49Å
465V94.2Very high91Very high2 Ų228.2 Ų28.21%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-125.7120.5168.5179.70000107.6L63 L64 R67 W418 V431 I432 I470L63-V465 HydrophobicContact CD2-CG1 4.07Å; L64-V465 HydrophobicContact CD2-CG2 4.31Å; R67-V465 HydrophobicContact CG-CG2 3.94Å; W418-V465 HydrophobicContact CH2-CG2 4Å; W418-V465 HydrophobicContact CZ3-CB 4.46Å; W418-V465 HydrophobicContact CZ3-CG2 3.72Å; V431-V465 WeakPolarHBondContact CA-O 3.33Å; I432-V465 HydrophobicContact CD1-CB 4.46Å; I432-V465 HydrophobicContact CG1-CB 3.91Å; I432-V465 HydrophobicContact CG1-CG1 4.49Å; I432-V465 PolarHBondContact N-O 3.3Å; I432-V465 PolarHBondContact O-N 3.13Å; V465-I470 HydrophobicContact CG1-CD1 4.13Å; V465-I470 HydrophobicContact CG1-CG1 3.97Å
466S91.9Very high91.1Very high8 Ų831.9 Ų31.96%0.05616%0.156CC..EExtended strand (participates in β ladder)trans-73.8141.7175.6177.50000110.5L176 D468 D469 I470L176-S466 VanDerWaalsContact CD1-N 3.26Å; S466-D468 PolarHBondContact O-N 3.31Å; S466-D468 PolarHBondContact OG-N 2.99Å; S466-D469 PolarHBondContact O-N 2.75Å; S466-D469 VanDerWaalsContact O-N 3.07Å; S466-I470 PolarHBondContact O-N 2.94Å
467L90.9Very high91Very high3 Ų331.2 Ų31.22%0.01615%0.15CC..Hα-helixtrans-61.1-26171.2-67.7-169.2000112.2V421 L430 D469 I470 K471 L495 L500V421-L467 HydrophobicContact CG1-CD1 3.81Å; V421-L467 HydrophobicContact CG2-CD1 4.19Å; V421-L467 HydrophobicContact CG2-CD2 4.31Å; L430-L467 HydrophobicContact CB-CD1 3.61Å; L430-L467 HydrophobicContact CB-CG 4.02Å; L430-L467 HydrophobicContact CD1-CD1 4.05Å; L430-L467 HydrophobicContact CG-CD1 4.48Å; L430-L467 PolarHBondContact O-N 2.82Å; L430-L467 VanDerWaalsContact O-N 3.12Å; L467-D469 VanDerWaalsContact C-N 3.28Å; L467-D469 PolarHBondContact O-N 2.86Å; L467-I470 HydrophobicContact CD2-CD1 4.09Å; L467-I470 PolarHBondContact O-N 3.48Å; L467-K471 WeakPolarHBondContact O-CB 3.27Å; L467-K471 VanDerWaalsContact O-CG 3.27Å; L467-K471 WeakPolarHBondContact O-CG 3.46Å; L467-K471 PolarHBondContact O-N 3.23Å; L467-L495 WeakPolarHBondContact CD1-O 3.27Å; L467-L495 HydrophobicContact CD2-CD1 3.73Å; L467-L495 HydrophobicContact CD2-CG 4.3Å; L467-L495 WeakPolarHBondContact CD2-O 3.44Å; L467-L500 HydrophobicContact CD1-CD2 3.95Å
468D87.5Confident90.7Very high66 Ų6632.8 Ų32.835%0.35316%0.16SC..Hα-helixtrans-66.3-31.8176.1-67.1-21.7000111.7K128 S466 K471 K472K128-D468 IonicContact NZ-OD2 2.96Å; S466-D468 PolarHBondContact O-N 3.31Å; S466-D468 PolarHBondContact OG-N 2.99Å; D468-K471 IonicContact OD1-NZ 3.61Å; D468-K472 WeakPolarHBondContact O-CG 3.01Å; D468-K472 PolarHBondContact O-N 2.83Å; D468-K472 VanDerWaalsContact O-N 3.15Å
469D89.4Confident90.4Very high36 Ų3632.2 Ų32.219%0.19316%0.157CC..Hα-helixtrans-72.1-36.8175.4-66.5-29.6000111.3S466 L467 K472S466-D469 PolarHBondContact O-N 2.75Å; S466-D469 VanDerWaalsContact O-N 3.07Å; L467-D469 VanDerWaalsContact C-N 3.28Å; L467-D469 PolarHBondContact O-N 2.86Å; D469-K472 PolarHBondContact O-N 2.92Å; D469-K472 IonicContact OD1-NZ 3.93Å
470I91.6Very high90.1Very high2 Ų232.7 Ų32.71%0.0116%0.162CC..Hα-helixtrans-67-43.3173.8-57.6179.3000110.3I60 I432 V465 S466 L467 K472 L473 T474 L495 L496I60-I470 HydrophobicContact CD1-CG2 4.03Å; I60-I470 HydrophobicContact CG1-CG2 4.28Å; I432-I470 HydrophobicContact CD1-CD1 3.96Å; V465-I470 HydrophobicContact CG1-CD1 4.13Å; V465-I470 HydrophobicContact CG1-CG1 3.97Å; S466-I470 PolarHBondContact O-N 2.94Å; L467-I470 HydrophobicContact CD2-CD1 4.09Å; L467-I470 PolarHBondContact O-N 3.48Å; I470-K472 PolarHBondContact O-N 3.13Å; I470-L473 WeakPolarHBondContact O-CB 3.14Å; I470-L473 PolarHBondContact O-N 2.81Å; I470-T474 PolarHBondContact O-N 2.81Å; I470-L495 HydrophobicContact CD1-CD2 4.32Å; I470-L496 HydrophobicContact CG2-CD1 3.87Å
471K89.3Confident89.8Confident95 Ų9533.6 Ų33.641%0.41317%0.168SC..Hα-helixtrans-58.7-34.5176.6-75171.3-174.2173.80112.7L467 D468 L473 T474 L496L467-K471 WeakPolarHBondContact O-CB 3.27Å; L467-K471 VanDerWaalsContact O-CG 3.27Å; L467-K471 WeakPolarHBondContact O-CG 3.46Å; L467-K471 PolarHBondContact O-N 3.23Å; D468-K471 IonicContact OD1-NZ 3.61Å; K471-L473 PolarHBondContact O-N 3.46Å; K471-T474 WeakPolarHBondContact CA-OG1 3.45Å; K471-T474 CarbonylContact O-C 3.48Å; K471-T474 PolarHBondContact O-N 2.74Å; K471-T474 PolarHBondContact O-OG1 2.99Å; K471-T474 VanDerWaalsContact O-OG1 3.06Å; K471-L496 HydrophobicContact CG-CD1 3.76Å
472K87.8Confident89.5Confident120 Ų12034 Ų3452%0.52217%0.17SC..Hα-helixtrans-65.3-26.4174.7-74.3168.9-175165.20113D468 D469 I470 T474D468-K472 WeakPolarHBondContact O-CG 3.01Å; D468-K472 PolarHBondContact O-N 2.83Å; D468-K472 VanDerWaalsContact O-N 3.15Å; D469-K472 PolarHBondContact O-N 2.92Å; D469-K472 IonicContact OD1-NZ 3.93Å; I470-K472 PolarHBondContact O-N 3.13Å; K472-T474 VanDerWaalsContact C-N 3.34Å
473L90.3Very high89.3Confident46 Ų4634.2 Ų34.224%0.24117%0.172CC..Hα-helixtrans-81.9-14.2176.8-58179.6000113.2N59 I60 L63 I470 K471 P475N59-L473 HydrophobicContact CB-CB 4.3Å; N59-L473 HydrophobicContact CB-CD1 4.32Å; N59-L473 HydrophobicContact CB-CD2 4.3Å; I60-L473 HydrophobicContact CG1-CB 4.41Å; I60-L473 HydrophobicContact CG1-CD1 4.11Å; L63-L473 HydrophobicContact CB-CD1 4.01Å; L63-L473 HydrophobicContact CD2-CD1 3.75Å; L63-L473 HydrophobicContact CG-CD1 4.45Å; I470-L473 WeakPolarHBondContact O-CB 3.14Å; I470-L473 PolarHBondContact O-N 2.81Å; K471-L473 PolarHBondContact O-N 3.46Å; L473-P475 WeakPolarHBondContact O-CD 3.35Å
474T88.6Confident89.2Confident11 Ų1136.3 Ų36.37%0.06718%0.18CC..SBendtrans-112.677.2179.457.20000110.5A56 I60 I470 K471 K472 R476 Y485A56-T474 HydrophobicContact CB-CG2 4.32Å; I60-T474 HydrophobicContact CD1-CG2 4.3Å; I470-T474 PolarHBondContact O-N 2.81Å; K471-T474 WeakPolarHBondContact CA-OG1 3.45Å; K471-T474 CarbonylContact O-C 3.48Å; K471-T474 PolarHBondContact O-N 2.74Å; K471-T474 PolarHBondContact O-OG1 2.99Å; K471-T474 VanDerWaalsContact O-OG1 3.06Å; K472-T474 VanDerWaalsContact C-N 3.34Å; T474-R476 PolarHBondContact O-N 2.82Å; T474-Y485 HydrophobicContact CG2-CD1 4.42Å; T474-Y485 HydrophobicContact CG2-CD2 4.38Å; T474-Y485 HydrophobicContact CG2-CG 4.09Å
475P83.4Confident89.3Confident66 Ų6636.4 Ų36.443%0.42918%0.18SC..  trans-66125-175.326.9-34.4000111.5L473L473-P475 WeakPolarHBondContact O-CD 3.35Å
476R84.5Confident89.3Confident104 Ų10436.3 Ų36.339%0.39218%0.18SC..  trans-93.9-12.6-17965.8-179.2-178.2168.53.3115.1T474 T478 I479 Y731 D732T474-R476 PolarHBondContact O-N 2.82Å; R476-T478 VanDerWaalsContact C-N 3.31Å; R476-T478 PolarHBondContact O-N 3.08Å; R476-I479 HydrophobicContact CB-CD1 4.37Å; R476-I479 HydrophobicContact CB-CG1 4.42Å; R476-I479 WeakPolarHBondContact O-CG1 3.41Å; R476-I479 PolarHBondContact O-N 2.89Å; R476-Y731 HydrophobicContact CG-CD2 4.35Å; R476-Y731 HydrophobicContact CG-CE2 4.4Å; R476-D732 IonicContact NH1-OD1 3.65Å
477F84.6Confident89.4Confident68 Ų6836.1 Ų36.130%0.29818%0.179SC..THydrogen-bonded Turntrans-73.9-17.6-168.5-54-64.1000114.9R638 L675 Y731F477-R638 HydrophobicContact CE1-CG 4.03Å; F477-R638 HydrophobicContact CZ-CG 4.43Å; F477-L675 HydrophobicContact CB-CD1 4.4Å; F477-L675 HydrophobicContact CD1-CD1 4.16Å; F477-L675 HydrophobicContact CD2-CD1 3.48Å; F477-L675 VanDerWaalsContact CD2-CD1 3.48Å; F477-L675 HydrophobicContact CE1-CD1 4.3Å; F477-L675 HydrophobicContact CE2-CD1 3.64Å; F477-L675 HydrophobicContact CG-CD1 3.75Å; F477-L675 HydrophobicContact CZ-CD1 4.05Å; F477-Y731 AromaticContact CD1-CE2 3.9Å; F477-Y731 HydrophobicContact CD1-CE2 3.9Å; F477-Y731 PolarHBondContact O-OH 3.24Å
478T85.3Confident89.6Confident43 Ų4336 Ų3626%0.26418%0.178SC..THydrogen-bonded Turntrans-93.2-24.8177.158.60000112.6N47 R476 F604N47-T478 PolarHBondContact ND2-O 3.21Å; R476-T478 VanDerWaalsContact C-N 3.31Å; R476-T478 PolarHBondContact O-N 3.08Å; T478-F604 HydrophobicContact CG2-CD2 4.21Å; T478-F604 HydrophobicContact CG2-CE2 3.91Å; T478-F604 HydrophobicContact CG2-CZ 4.11Å; T478-F604 VanDerWaalsContact O-CB 3.26Å; T478-F604 WeakPolarHBondContact O-CB 3.3Å
479I87.5Confident89.8Confident1 Ų133.2 Ų33.21%0.00516%0.163CC..THydrogen-bonded Turntrans-88.2-9.2-175.258.3172.4000113.6L52 R476 G483 Y485 L595 L597 S601L52-I479 HydrophobicContact CD1-CG2 4.03Å; R476-I479 HydrophobicContact CB-CD1 4.37Å; R476-I479 HydrophobicContact CB-CG1 4.42Å; R476-I479 WeakPolarHBondContact O-CG1 3.41Å; R476-I479 PolarHBondContact O-N 2.89Å; I479-G483 WeakPolarHBondContact CD1-O 3.34Å; I479-Y485 HydrophobicContact CD1-CD2 4.09Å; I479-Y485 HydrophobicContact CD1-CE2 3.82Å; I479-L595 HydrophobicContact CD1-CD1 3.73Å; I479-L595 HydrophobicContact CG2-CD1 4.46Å; I479-L597 HydrophobicContact CB-CD2 3.57Å; I479-L597 HydrophobicContact CG2-CD2 3.75Å; I479-S601 WeakPolarHBondContact O-CB 3.47Å; I479-S601 PolarHBondContact O-OG 3.23Å
480G87.1Confident89.9Confident9 Ų932.9 Ų32.99%0.09316%0.163CC..  trans80.8176.6-178.400000113.9N482 G483G480-N482 PolarHBondContact O-N 2.88Å; G480-G483 PolarHBondContact O-N 2.79Å
481P89.1Confident89.8Confident19 Ų1933.2 Ų33.212%0.12317%0.165CC..THydrogen-bonded Turntrans-73.2-28-171.632.1-41.9000114.5Y731 Y736 K737 L740P481-Y731 HydrophobicContact CB-CD1 3.69Å; P481-Y731 HydrophobicContact CB-CE1 4.2Å; P481-Y731 HydrophobicContact CB-CG 4.02Å; P481-Y731 HydrophobicContact CG-CD1 4.44Å; P481-Y736 HydrophobicContact CB-CD1 4.28Å; P481-Y736 HydrophobicContact CB-CE1 4.45Å; P481-Y736 HydrophobicContact CG-CD1 3.83Å; P481-Y736 HydrophobicContact CG-CE1 3.71Å; P481-K737 HydrophobicContact CB-CG 4.35Å; P481-L740 HydrophobicContact CG-CD1 3.3Å
482N90.9Very high89.9Confident10 Ų1028.7 Ų28.75%0.05315%0.145CC..THydrogen-bonded Turntrans-86.6-14.4179.3-81.40.7000111.1G480 R579 P598 Y600 K737 D741G480-N482 PolarHBondContact O-N 2.88Å; N482-R579 PolarHBondContact ND2-NH2 3.48Å; N482-R579 PolarHBondContact O-NH1 3.15Å; N482-P598 HydrophobicContact CB-CG 3.94Å; N482-Y600 WeakPolarHBondContact CB-OH 3.02Å; N482-Y600 PolarHBondContact ND2-OH 3.06Å; N482-K737 PolarHBondContact ND2-O 3.47Å; N482-K737 VanDerWaalsContact ND2-O 3.11Å; N482-K737 WeakPolarHBondContact OD1-CA 3.36Å; N482-K737 WeakPolarHBondContact OD1-CB 3.33Å; N482-K737 VanDerWaalsContact OD1-CG 3.3Å; N482-K737 WeakPolarHBondContact OD1-CG 3.28Å; N482-D741 PolarHBondContact ND2-OD1 3.17Å; N482-D741 PolarHBondContact ND2-OD2 3.01Å
483G92.4Very high90.1Very high4 Ų424 Ų244%0.04112%0.124CC..  trans-86.9137172.500000111.5I479 G480 V596I479-G483 WeakPolarHBondContact CD1-O 3.34Å; G480-G483 PolarHBondContact O-N 2.79Å; G483-V596 CarbonylContact C-O 3.58Å; G483-V596 WeakPolarHBondContact CA-O 3.2Å
484Y93.4Very high90.3Very high43 Ų4321.9 Ų21.917%0.16911%0.113CC..EExtended strand (participates in β ladder)trans-152.5151.7177.259.8-83.8000112F486 H497 P498 E539 L595 V596Y484-F486 HydrophobicContact CD2-CB 4.49Å; Y484-F486 HydrophobicContact CD2-CD1 4.38Å; Y484-F486 AromaticContact CE2-CD1 3.99Å; Y484-F486 HydrophobicContact CE2-CD1 3.99Å; Y484-H497 AromaticContact CE2-CD2 3.84Å; Y484-H497 AromaticContact CE2-NE2 3.65Å; Y484-P498 HydrophobicContact CD1-CG 4.43Å; Y484-P498 HydrophobicContact CD2-CG 3.81Å; Y484-P498 HydrophobicContact CG-CG 3.71Å; Y484-E539 VanDerWaalsContact OH-CD 3.24Å; Y484-E539 PolarHBondContact OH-OE1 3.06Å; Y484-L595 WeakPolarHBondContact O-CD1 3.12Å; Y484-V596 HydrophobicContact CD1-CB 4.16Å; Y484-V596 HydrophobicContact CD2-CG2 4.33Å; Y484-V596 HydrophobicContact CE1-CB 3.78Å; Y484-V596 HydrophobicContact CE1-CG1 3.99Å; Y484-V596 HydrophobicContact CE1-CG2 4.09Å; Y484-V596 HydrophobicContact CE2-CB 4.25Å; Y484-V596 HydrophobicContact CE2-CG2 3.73Å; Y484-V596 PolarHBondContact N-O 3.21Å; Y484-V596 VanDerWaalsContact N-O 3.1Å; Y484-V596 PolarHBondContact O-N 3.22Å
485Y94.7Very high90.4Very high9 Ų921.6 Ų21.64%0.03511%0.111CC..EExtended strand (participates in β ladder)trans-85.4148.5166.9-66.1-90.3000109.6V53 A56 T474 I479 L496 L593 A594 L595V53-Y485 HydrophobicContact CG2-CE1 4.44Å; A56-Y485 HydrophobicContact CB-CE1 4.2Å; T474-Y485 HydrophobicContact CG2-CD1 4.42Å; T474-Y485 HydrophobicContact CG2-CD2 4.38Å; T474-Y485 HydrophobicContact CG2-CG 4.09Å; I479-Y485 HydrophobicContact CD1-CD2 4.09Å; I479-Y485 HydrophobicContact CD1-CE2 3.82Å; Y485-L496 WeakPolarHBondContact O-CD2 3.39Å; Y485-L593 HydrophobicContact CD1-CD2 4.22Å; Y485-L593 HydrophobicContact CD1-CG 4.42Å; Y485-A594 CarbonylContact C-O 3.54Å; Y485-A594 VanDerWaalsContact CA-O 3.26Å; Y485-A594 WeakPolarHBondContact CA-O 3.31Å; Y485-L595 HydrophobicContact CD1-CB 3.99Å; Y485-L595 HydrophobicContact CD1-CD1 3.98Å; Y485-L595 HydrophobicContact CD1-CG 4.46Å; Y485-L595 HydrophobicContact CD2-CD1 4.05Å; Y485-L595 HydrophobicContact CE1-CB 3.93Å; Y485-L595 HydrophobicContact CE1-CD1 3.84Å; Y485-L595 HydrophobicContact CE1-CD2 4.05Å; Y485-L595 HydrophobicContact CE1-CG 4.15Å; Y485-L595 HydrophobicContact CE2-CD1 3.91Å; Y485-L595 HydrophobicContact CG-CD1 4.09Å
486F95.1Very high90.7Very high0 Ų019.1 Ų19.10%09%0.094CC..EExtended strand (participates in β ladder)trans-138.8151.3162.169.6-85.4000110.7Y484 I488 L496 F535 M552 Y581 A594 V596Y484-F486 HydrophobicContact CD2-CB 4.49Å; Y484-F486 HydrophobicContact CD2-CD1 4.38Å; Y484-F486 AromaticContact CE2-CD1 3.99Å; Y484-F486 HydrophobicContact CE2-CD1 3.99Å; F486-I488 HydrophobicContact CD2-CG2 3.87Å; F486-I488 HydrophobicContact CE2-CG2 4.03Å; F486-L496 CarbonylContact C-O 3.6Å; F486-L496 WeakPolarHBondContact CA-O 3.15Å; F486-L496 VanDerWaalsContact CB-O 3.28Å; F486-L496 WeakPolarHBondContact CB-O 3.45Å; F486-F535 HydrophobicContact CD2-CD2 4.05Å; F486-F535 HydrophobicContact CD2-CE2 4.1Å; F486-F535 HydrophobicContact CE1-CE2 4.35Å; F486-F535 AromaticContact CE2-CD2 3.87Å; F486-F535 HydrophobicContact CE2-CD2 3.87Å; F486-F535 AromaticContact CE2-CE2 3.67Å; F486-F535 HydrophobicContact CE2-CE2 3.67Å; F486-F535 HydrophobicContact CE2-CZ 4.21Å; F486-F535 HydrophobicContact CZ-CD2 4.46Å; F486-F535 AromaticContact CZ-CE2 3.8Å; F486-F535 HydrophobicContact CZ-CE2 3.8Å; F486-F535 HydrophobicContact CZ-CZ 4.09Å; F486-M552 HydrophobicContact CD2-CE 4.47Å; F486-M552 HydrophobicContact CE2-CE 3.78Å; F486-M552 HydrophobicContact CE2-SD 3.82Å; F486-M552 HydrophobicContact CZ-CE 4.29Å; F486-M552 HydrophobicContact CZ-SD 3.99Å; F486-Y581 AromaticContact CE1-CD1 3.75Å; F486-Y581 HydrophobicContact CE1-CD1 3.75Å; F486-Y581 AromaticContact CE1-CE1 3.9Å; F486-Y581 HydrophobicContact CE1-CE1 3.9Å; F486-Y581 AromaticContact CZ-CD1 3.94Å; F486-Y581 HydrophobicContact CZ-CD1 3.94Å; F486-Y581 HydrophobicContact CZ-CE1 4.19Å; F486-A594 HydrophobicContact CD1-CB 3.8Å; F486-A594 HydrophobicContact CD2-CB 4.16Å; F486-A594 HydrophobicContact CE1-CB 3.29Å; F486-A594 HydrophobicContact CE2-CB 3.69Å; F486-A594 HydrophobicContact CG-CB 4.21Å; F486-A594 HydrophobicContact CZ-CB 3.24Å; F486-A594 PolarHBondContact N-O 3Å; F486-A594 PolarHBondContact O-N 2.79Å; F486-V596 HydrophobicContact CD1-CG2 3.79Å; F486-V596 HydrophobicContact CE1-CG2 3.51Å
487A94.6Very high91.1Very high4 Ų414.6 Ų14.63%0.0338%0.078CC..EExtended strand (participates in β ladder)trans-126.7139.3178.600000109.4V494 L495 L496 S592 L593A487-V494 CarbonylContact O-C 3.34Å; A487-V494 WeakPolarHBondContact O-CA 3Å; A487-V494 WeakPolarHBondContact O-CG1 3.48Å; A487-L495 HydrophobicContact CB-CB 3.99Å; A487-L495 HydrophobicContact CB-CD2 4.22Å; A487-L495 HydrophobicContact CB-CG 4.44Å; A487-L495 PolarHBondContact O-N 2.76Å; A487-L496 HydrophobicContact CB-CB 4.16Å; A487-L496 PolarHBondContact N-O 3.42Å; A487-S592 CarbonylContact C-O 3.51Å; A487-S592 VanDerWaalsContact CA-O 3.31Å; A487-S592 WeakPolarHBondContact CA-O 3.45Å; A487-L593 HydrophobicContact CB-CD1 4Å
488I94.8Very high91.2Very high1 Ų114.5 Ų14.51%0.0058%0.084CC..EExtended strand (participates in β ladder)trans-124.3152.617975176.8000112.1F486 Y493 F535 M552 I553 Y591 S592F486-I488 HydrophobicContact CD2-CG2 3.87Å; F486-I488 HydrophobicContact CE2-CG2 4.03Å; I488-Y493 CarbonylContact C-O 3.14Å; I488-Y493 VanDerWaalsContact CA-O 3.25Å; I488-Y493 WeakPolarHBondContact CA-O 3.5Å; I488-F535 HydrophobicContact CG2-CB 4.33Å; I488-M552 HydrophobicContact CD1-CB 3.37Å; I488-M552 HydrophobicContact CD1-CE 3.92Å; I488-M552 HydrophobicContact CD1-CG 4.32Å; I488-M552 HydrophobicContact CD1-SD 4.1Å; I488-M552 HydrophobicContact CG1-CB 4.22Å; I488-M552 HydrophobicContact CG1-CE 3.91Å; I488-M552 HydrophobicContact CG2-CE 4.44Å; I488-I553 HydrophobicContact CD1-CG1 4.08Å; I488-Y591 WeakPolarHBondContact O-CA 3.23Å; I488-S592 PolarHBondContact N-O 3.45Å; I488-S592 PolarHBondContact O-N 2.82Å
489D91.8Very high91.3Very high6 Ų615.4 Ų15.43%0.0329%0.087CC..  trans-88.9165174.5-659.1000109.9N491 G492 Y493 Y591D489-N491 PolarHBondContact O-N 2.79Å; D489-N491 VanDerWaalsContact O-N 3.1Å; D489-G492 WeakPolarHBondContact O-CA 3.11Å; D489-G492 PolarHBondContact O-N 3.41Å; D489-Y493 PolarHBondContact N-O 2.71Å; D489-Y591 WeakPolarHBondContact OD1-CD1 3.48Å; D489-Y591 WeakPolarHBondContact OD1-CE1 2.96Å
490P90.7Very high91.2Very high29 Ų2915.9 Ų15.919%0.1889%0.089CC..THydrogen-bonded Turntrans-65.2-14175.928.2-37.5000113.5G492 I553 D590 K1026P490-G492 VanDerWaalsContact C-N 3.35Å; P490-I553 VanDerWaalsContact O-CG2 3.27Å; P490-I553 WeakPolarHBondContact O-CG2 3.26Å; P490-D590 HydrophobicContact CG-CB 3.9Å; P490-K1026 HydrophobicContact CB-CB 4.32Å; P490-K1026 PolarHBondContact O-N 3.29Å
491N89.6Confident90.6Very high10 Ų1019.4 Ų19.45%0.05310%0.104CC..THydrogen-bonded Turntrans-82.9-9.9169.1-74.3-45.2000113.3D258 D489 Y493 R549D258-N491 PolarHBondContact OD1-ND2 3.28Å; D258-N491 PolarHBondContact OD1-OD1 2.7Å; D489-N491 PolarHBondContact O-N 2.79Å; D489-N491 VanDerWaalsContact O-N 3.1Å; N491-Y493 VanDerWaalsContact C-N 3.32Å; N491-Y493 HydrophobicContact CB-CD2 3.84Å; N491-Y493 HydrophobicContact CB-CE2 4.01Å; N491-Y493 HydrophobicContact CB-CG 4.46Å; N491-R549 PolarHBondContact O-NH2 3.36Å; N491-R549 VanDerWaalsContact O-NH2 3.13Å
492G91.1Very high89.5Confident0 Ų020.9 Ų20.90%011%0.113CC..SBendtrans809.4-174.800000114.8D489 P490 F535D489-G492 WeakPolarHBondContact O-CA 3.11Å; D489-G492 PolarHBondContact O-N 3.41Å; P490-G492 VanDerWaalsContact C-N 3.35Å; G492-F535 PolarHBondContact O-N 3.08Å
493Y93.1Very high87.9Confident20 Ų2022.7 Ų22.78%0.07812%0.12CC..BIsolated β-bridgetrans-71.4149.3168.5-60.8-41.5000110.8D257 I488 D489 N491 T532 L533 D534D257-Y493 HydrophobicContact CB-CE2 3.76Å; D257-Y493 PolarHBondContact OD1-OH 2.85Å; I488-Y493 CarbonylContact C-O 3.14Å; I488-Y493 VanDerWaalsContact CA-O 3.25Å; I488-Y493 WeakPolarHBondContact CA-O 3.5Å; D489-Y493 PolarHBondContact N-O 2.71Å; N491-Y493 VanDerWaalsContact C-N 3.32Å; N491-Y493 HydrophobicContact CB-CD2 3.84Å; N491-Y493 HydrophobicContact CB-CE2 4.01Å; N491-Y493 HydrophobicContact CB-CG 4.46Å; Y493-T532 HydrophobicContact CD2-CG2 3.93Å; Y493-T532 HydrophobicContact CE2-CG2 3.8Å; Y493-T532 HydrophobicContact CG-CG2 4.35Å; Y493-L533 WeakPolarHBondContact CA-O 2.99Å; Y493-D534 HydrophobicContact CD1-CB 4.36Å
494V93.4Very high85.5Confident3 Ų325 Ų252%0.01813%0.134CC..EExtended strand (participates in β ladder)trans-94.1120.8-175.9-173.90000110.4A487 L496 H497 L533 F535 A538A487-V494 CarbonylContact O-C 3.34Å; A487-V494 WeakPolarHBondContact O-CA 3Å; A487-V494 WeakPolarHBondContact O-CG1 3.48Å; V494-L496 VanDerWaalsContact CG1-C 3.48Å; V494-L496 WeakPolarHBondContact CG1-O 3.09Å; V494-H497 HydrophobicContact CB-CB 4.49Å; V494-H497 HydrophobicContact CG1-CB 3.34Å; V494-L533 PolarHBondContact N-O 3.02Å; V494-F535 HydrophobicContact CG2-CB 3.82Å; V494-F535 VanDerWaalsContact CG2-N 3.28Å; V494-A538 HydrophobicContact CG2-CB 4.42Å
495L91.1Very high82.9Confident4 Ų426.8 Ų26.82%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-78.5-41.5172.7175.565.4000111.7V421 I432 L467 I470 A487 Y591V421-L495 HydrophobicContact CG2-CD1 3.69Å; I432-L495 HydrophobicContact CD1-CD1 4.11Å; I432-L495 HydrophobicContact CG2-CD1 3.37Å; L467-L495 WeakPolarHBondContact CD1-O 3.27Å; L467-L495 HydrophobicContact CD2-CD1 3.73Å; L467-L495 HydrophobicContact CD2-CG 4.3Å; L467-L495 WeakPolarHBondContact CD2-O 3.44Å; I470-L495 HydrophobicContact CD1-CD2 4.32Å; A487-L495 HydrophobicContact CB-CB 3.99Å; A487-L495 HydrophobicContact CB-CD2 4.22Å; A487-L495 HydrophobicContact CB-CG 4.44Å; A487-L495 PolarHBondContact O-N 2.76Å; L495-Y591 HydrophobicContact CD2-CD1 4.16Å; L495-Y591 HydrophobicContact CD2-CD2 4.26Å; L495-Y591 HydrophobicContact CD2-CE1 4.15Å; L495-Y591 HydrophobicContact CD2-CE2 4.22Å; L495-Y591 HydrophobicContact CD2-CG 4.21Å
496L91.1Very high79.8Confident14 Ų1429.3 Ų29.37%0.07316%0.164CC..EExtended strand (participates in β ladder)trans-138.2125.4-177.7-178146.4000109I470 K471 Y485 F486 A487 V494I470-L496 HydrophobicContact CG2-CD1 3.87Å; K471-L496 HydrophobicContact CG-CD1 3.76Å; Y485-L496 WeakPolarHBondContact O-CD2 3.39Å; F486-L496 CarbonylContact C-O 3.6Å; F486-L496 WeakPolarHBondContact CA-O 3.15Å; F486-L496 VanDerWaalsContact CB-O 3.28Å; F486-L496 WeakPolarHBondContact CB-O 3.45Å; A487-L496 HydrophobicContact CB-CB 4.16Å; A487-L496 PolarHBondContact N-O 3.42Å; V494-L496 VanDerWaalsContact CG1-C 3.48Å; V494-L496 WeakPolarHBondContact CG1-O 3.09Å
497H91.7Very high76.7Confident10 Ų1033.9 Ų33.95%0.04619%0.188CC..  trans-163.3150.8173-172.7-98.2000111.1Y484 V494 N499 L500 E539Y484-H497 AromaticContact CE2-CD2 3.84Å; Y484-H497 AromaticContact CE2-NE2 3.65Å; V494-H497 HydrophobicContact CB-CB 4.49Å; V494-H497 HydrophobicContact CG1-CB 3.34Å; H497-N499 VanDerWaalsContact C-N 3.29Å; H497-N499 PolarHBondContact CE1-ND2 3.16Å; H497-N499 WeakPolarHBondContact ND1-CB 3.45Å; H497-N499 PolarHBondContact ND1-N 3.32Å; H497-N499 PolarHBondContact O-N 3.03Å; H497-L500 HydrophobicContact CB-CB 4.29Å; H497-L500 WeakPolarHBondContact O-CB 3.27Å; H497-L500 PolarHBondContact O-N 3.37Å; H497-L500 VanDerWaalsContact O-N 3.12Å; H497-E539 IonicContact NE2-OE1 2.77Å; H497-E539 PolarHBondContact NE2-OE1 3.37Å
498P87.4Confident73.7Confident65 Ų6538.6 Ų38.642%0.42221%0.208SC..THydrogen-bonded Turntrans-58.4-37.4176.4-26.235.5000114.1Y484 L500Y484-P498 HydrophobicContact CD1-CG 4.43Å; Y484-P498 HydrophobicContact CD2-CG 3.81Å; Y484-P498 HydrophobicContact CG-CG 3.71Å; P498-L500 VanDerWaalsContact C-N 3.28Å; P498-L500 PolarHBondContact O-N 3.46Å
499N86.1Confident70.9Confident62 Ų6243.9 Ų43.933%0.33224%0.236SC..THydrogen-bonded Turntrans-80.8-3.8178.9-59.3-14.3000113.6H497 Q501 A538 Q872H497-N499 VanDerWaalsContact C-N 3.29Å; H497-N499 PolarHBondContact CE1-ND2 3.16Å; H497-N499 WeakPolarHBondContact ND1-CB 3.45Å; H497-N499 PolarHBondContact ND1-N 3.32Å; H497-N499 PolarHBondContact O-N 3.03Å; N499-Q501 PolarHBondContact O-N 3.27Å; N499-A538 PolarHBondContact ND2-O 3.03Å; N499-Q872 PolarHBondContact O-OE1 2.88Å
500L85.7Confident68Low11 Ų1149.3 Ų49.36%0.05826%0.264CS..  trans-80.1103.3175-17671.3000109.1L430 L467 H497 P498 V531 L533L430-L500 HydrophobicContact CD1-CG 4.41Å; L467-L500 HydrophobicContact CD1-CD2 3.95Å; H497-L500 HydrophobicContact CB-CB 4.29Å; H497-L500 WeakPolarHBondContact O-CB 3.27Å; H497-L500 PolarHBondContact O-N 3.37Å; H497-L500 VanDerWaalsContact O-N 3.12Å; P498-L500 VanDerWaalsContact C-N 3.28Å; P498-L500 PolarHBondContact O-N 3.46Å; L500-V531 HydrophobicContact CD1-CG1 4.11Å; L500-L533 HydrophobicContact CD1-CB 3.97Å; L500-L533 HydrophobicContact CD1-CD2 4.16Å
501Q74.8Confident65.2Low84 Ų8454.8 Ų54.839%0.39329%0.291SS..  trans-101.8146.6-179.9-59.7-171.112.600111.9N499 K503 Q872N499-Q501 PolarHBondContact O-N 3.27Å; Q501-K503 PolarHBondContact O-N 3.12Å; Q501-Q872 PolarHBondContact O-NE2 3.1Å; Q501-Q872 PolarHBondContact O-OE1 3.28Å
502P66.6Low62.5Low49 Ų4957.9 Ų57.932%0.31831%0.307SS..  trans-64.4122.4162.527.5-30.3000107.6L423 L430 V504L423-P502 HydrophobicContact CD2-CB 4.38Å; L430-P502 HydrophobicContact CD1-CB 4.27Å; L430-P502 HydrophobicContact CG-CB 4.18Å; P502-V504 PolarHBondContact O-N 3.14Å; P502-V504 VanDerWaalsContact O-N 3.12Å
503K56.8Low59.5Low49 Ų4964.6 Ų64.621%0.21334%0.343CS..  trans-43.3123.8-179-71.5-179.3177.61750110Q501 L505 S506Q501-K503 PolarHBondContact O-N 3.12Å; K503-L505 PolarHBondContact O-N 2.94Å; K503-S506 PolarHBondContact O-N 3.47Å
504V41.5Very low56.5Low53 Ų5373.1 Ų73.132%0.32138%0.377SS..THydrogen-bonded Turntrans-56.8-9.6-164.3177.80000114.8P502 S506 L507 F508 V874P502-V504 PolarHBondContact O-N 3.14Å; P502-V504 VanDerWaalsContact O-N 3.12Å; V504-S506 PolarHBondContact O-N 3.24Å; V504-S506 VanDerWaalsContact O-N 3.09Å; V504-L507 PolarHBondContact O-N 3.18Å; V504-L507 VanDerWaalsContact O-N 3.1Å; V504-F508 PolarHBondContact O-N 3.42Å; V504-F508 VanDerWaalsContact O-N 3.1Å; V504-V874 HydrophobicContact CB-CG2 3.9Å; V504-V874 HydrophobicContact CG1-CG2 4.49Å
505L39.1Very low53.6Low80 Ų8081.4 Ų81.442%0.41941%0.409SS..Hα-helixtrans-53.5-30.8171.9-128.2107.7000112.6K503 L509 F527K503-L505 PolarHBondContact O-N 2.94Å; L505-L509 VanDerWaalsContact O-CD1 3.28Å; L505-L509 WeakPolarHBondContact O-CD1 3.17Å; L505-L509 VanDerWaalsContact O-CG 3.29Å; L505-L509 WeakPolarHBondContact O-CG 3.4Å; L505-F527 HydrophobicContact CD2-CZ 4.45Å
506S30Very low51.1Low61 Ų6186.5 Ų86.543%0.42743%0.431SS..Hα-helixtrans-72.8-38.9177.3168.60000113.8K503 V504 L510K503-S506 PolarHBondContact O-N 3.47Å; V504-S506 PolarHBondContact O-N 3.24Å; V504-S506 VanDerWaalsContact O-N 3.09Å; S506-L510 PolarHBondContact O-N 2.99Å
507L30.6Very low48Very low96 Ų9695.8 Ų95.850%0.50347%0.471SS..Hα-helixtrans-83.3-32.3-175.6-109.9134.2000112.7V504 L509 L510 L511V504-L507 PolarHBondContact O-N 3.18Å; V504-L507 VanDerWaalsContact O-N 3.1Å; L507-L509 VanDerWaalsContact C-N 3.25Å; L507-L509 PolarHBondContact O-N 3.1Å; L507-L510 PolarHBondContact O-N 3.41Å; L507-L510 VanDerWaalsContact O-N 3.16Å; L507-L511 PolarHBondContact O-N 3.24Å
508F29.8Very low44.9Very low104 Ų104103.1 Ų103.146%0.45651%0.51SS..Hα-helixtrans-66.7-31172.4-146.6-100000111.5V504 L512V504-F508 PolarHBondContact O-N 3.42Å; V504-F508 VanDerWaalsContact O-N 3.1Å; F508-L512 HydrophobicContact CD1-CD1 3.69Å; F508-L512 HydrophobicContact CE1-CD1 3.36Å; F508-L512 HydrophobicContact CZ-CD1 4.19Å; F508-L512 PolarHBondContact O-N 3.18Å
509L36Very low42.5Very low112 Ų112103.2 Ų103.259%0.58651%0.506SS*.Hα-helixtrans-67.6-34.1170.8-80.2167.6000112.9L505 L507L505-L509 VanDerWaalsContact O-CD1 3.28Å; L505-L509 WeakPolarHBondContact O-CD1 3.17Å; L505-L509 VanDerWaalsContact O-CG 3.29Å; L505-L509 WeakPolarHBondContact O-CG 3.4Å; L507-L509 VanDerWaalsContact C-N 3.25Å; L507-L509 PolarHBondContact O-N 3.1Å
510L32.8Very low39.8Very low119 Ų119103.5 Ų103.562%0.62351%0.513SS*.Hα-helixtrans-70.4-34.1176.8-78.4164.8000112.7S506 L507S506-L510 PolarHBondContact O-N 2.99Å; L507-L510 PolarHBondContact O-N 3.41Å; L507-L510 VanDerWaalsContact O-N 3.16Å
511L31.6Very low37Very low144 Ų144110.9 Ų110.975%0.75455%0.552SS**Hα-helixtrans-79.5-23.9-179.4-81.4164.4000114L507 N513L507-L511 PolarHBondContact O-N 3.24Å; L511-N513 PolarHBondContact O-N 3.33Å
512L32Very low34.8Very low75 Ų75114.1 Ų114.139%0.39357%0.571SS.*THydrogen-bonded Turntrans-10039.1-176.9-93.2158000113.7F508 Y514F508-L512 HydrophobicContact CD1-CD1 3.69Å; F508-L512 HydrophobicContact CE1-CD1 3.36Å; F508-L512 HydrophobicContact CZ-CD1 4.19Å; F508-L512 PolarHBondContact O-N 3.18Å; L512-Y514 PolarHBondContact O-N 2.86Å
513N29.3Very low33.4Very low142 Ų142115.8 Ų115.876%0.75958%0.575SS**THydrogen-bonded Turntrans-73.724.5-179.6-128.71.9000114.6L511L511-N513 PolarHBondContact O-N 3.33Å
514Y30.1Very low32.3Very low198 Ų198118 Ų11878%0.77659%0.589SS**THydrogen-bonded Turntrans-128.7-9.4-175.3-162.6-112.7000115.8L512L512-Y514 PolarHBondContact O-N 2.86Å
515Y31.6Very low32.2Very low177 Ų177119.1 Ų119.169%0.69460%0.597SS**  trans-142.920.4-169.3-101-75.9000119.1
516F38.3Very low32.5Very low112 Ų112120.3 Ų120.349%0.49160%0.599SS.*  trans-108.288.4-177.2-101.4-99.2000113.9L519 M940F516-L519 HydrophobicContact CD1-CB 3.79Å; F516-L519 HydrophobicContact CE1-CB 3.36Å; F516-L519 HydrophobicContact CE1-CD1 4.16Å; F516-L519 HydrophobicContact CE1-CD2 3.69Å; F516-L519 HydrophobicContact CE1-CG 3.91Å; F516-L519 HydrophobicContact CZ-CB 4.37Å; F516-L519 HydrophobicContact CZ-CD1 4.43Å; F516-L519 HydrophobicContact CZ-CD2 4.09Å; F516-M940 HydrophobicContact CE2-CE 4.15Å; F516-M940 HydrophobicContact CE2-SD 4.39Å; F516-M940 HydrophobicContact CZ-CE 4.5Å; F516-M940 HydrophobicContact CZ-SD 4.14Å
517K27.1Very low33.4Very low208 Ų208123.3 Ų123.390%0.90460%0.604SS**SBendtrans-1191169-158.5168.9-178.1177.30113.8
518L26.6Very low34.6Very low164 Ų164120.3 Ų120.386%0.85959%0.588SS**SBendtrans-144.335.7-167.8-151.582.9000115.6
519L35.6Very low36.4Very low67 Ų67118.1 Ų118.135%0.35158%0.579SS.*  trans-129.992.8175.8-127.897.5000110.6F516 M940 F941F516-L519 HydrophobicContact CD1-CB 3.79Å; F516-L519 HydrophobicContact CE1-CB 3.36Å; F516-L519 HydrophobicContact CE1-CD1 4.16Å; F516-L519 HydrophobicContact CE1-CD2 3.69Å; F516-L519 HydrophobicContact CE1-CG 3.91Å; F516-L519 HydrophobicContact CZ-CB 4.37Å; F516-L519 HydrophobicContact CZ-CD1 4.43Å; F516-L519 HydrophobicContact CZ-CD2 4.09Å; L519-M940 HydrophobicContact CD1-CB 4.39Å; L519-M940 HydrophobicContact CD1-SD 3.71Å; L519-F941 HydrophobicContact CD2-CE1 3.88Å; L519-F941 HydrophobicContact CD2-CZ 4.08Å
520S30.1Very low38.3Very low69 Ų69113.5 Ų113.548%0.48356%0.556SS.*  trans-143.637.6-178.367.90000114.2S203S203-S520 WeakPolarHBondContact OG-CB 3.4Å
521L27.2Very low40.7Very low165 Ų165108.1 Ų108.186%0.86453%0.528SS*.SBendtrans-130.41.5-176.9-82.6175.3000119.2
522L28.6Very low43.3Very low152 Ų152102.7 Ų102.780%0.79650%0.501SS*.  trans-137.890.9168.9-84162.7000111
523Q36.2Very low46Very low85 Ų8599.6 Ų99.640%0.39749%0.485SS..  trans-100.291.3-173.3-145.6176.6-42.400109.6I205I205-Q523 PolarHBondContact O-NE2 3.01Å
524N34.3Very low49Very low96 Ų9693.3 Ų93.351%0.51345%0.451SS..  trans-77.9130.7172.8-94.9-22000110.3K526N524-K526 HydrophobicContact CB-CD 4.17Å; N524-K526 HydrophobicContact CB-CG 4.12Å; N524-K526 PolarHBondContact O-N 3.13Å
525P39.9Very low52Low76 Ų7683.9 Ų83.949%0.49441%0.414SS..  trans-73.136.3179.830.6-35.1000114.1F527P525-F527 PolarHBondContact O-N 3.24Å; P525-F527 VanDerWaalsContact O-N 3.15Å
526K45.6Very low54.9Low105 Ų10575.9 Ų75.946%0.45738%0.383SS..  trans-75.95.6-172.7-73.9176.7178.81800115.2N524 Q528 E943N524-K526 HydrophobicContact CB-CD 4.17Å; N524-K526 HydrophobicContact CB-CG 4.12Å; N524-K526 PolarHBondContact O-N 3.13Å; K526-Q528 PolarHBondContact O-N 2.72Å; K526-E943 IonicContact NZ-OE1 2.74Å; K526-E943 PolarHBondContact NZ-OE1 2.78Å; K526-E943 IonicContact NZ-OE2 2.62Å; K526-E943 PolarHBondContact NZ-OE2 3.5Å
527F48.5Very low57.4Low123 Ų12371.9 Ų71.954%0.53937%0.367SS..THydrogen-bonded Turntrans-83.817.6177.1-80.2-85.6000114.1R213 L505 P525R213-F527 PolarHBondContact NH1-O 3.45Å; L505-F527 HydrophobicContact CD2-CZ 4.45Å; P525-F527 PolarHBondContact O-N 3.24Å; P525-F527 VanDerWaalsContact O-N 3.15Å
528Q56.2Low60.3Low33 Ų3362.4 Ų62.415%0.15433%0.327CS..THydrogen-bonded Turntrans-110.1-19.1-175-66-179.8-0.700113.7K526K526-Q528 PolarHBondContact O-N 2.72Å
529E66.8Low63.4Low59 Ų5955.5 Ų55.528%0.27629%0.291SS..SBendtrans-78.8133.1-176.3-65.7-177.6167.300111.7V284V284-E529 WeakPolarHBondContact CG1-OE2 3.39Å
530P76.8Confident66Low14 Ų1453.1 Ų53.19%0.09128%0.278CS..  trans-65.7159.3173.629.9-35.1000111.1N420 T532N420-P530 HydrophobicContact CB-CB 4.34Å; P530-T532 HydrophobicContact CB-CG2 4.15Å; P530-T532 HydrophobicContact CG-CG2 4.07Å; P530-T532 PolarHBondContact O-N 2.93Å
531V82.9Confident68.8Low6 Ų655.1 Ų55.14%0.03628%0.28CS..  trans-93.378.1176.3-173.20000108.1V421 L430 L500 L533V421-V531 PolarHBondContact O-N 2.65Å; L430-V531 HydrophobicContact CD2-CB 4.44Å; L430-V531 HydrophobicContact CD2-CG2 4Å; L500-V531 HydrophobicContact CD1-CG1 4.11Å; V531-L533 PolarHBondContact O-N 3.08Å
532T84.9Confident71.8Confident31 Ų3149.7 Ų49.719%0.1925%0.252CS..  trans-92.387-179.247.40000111.1N420 Y493 P530N420-T532 HydrophobicContact CB-CG2 4.12Å; Y493-T532 HydrophobicContact CD2-CG2 3.93Å; Y493-T532 HydrophobicContact CE2-CG2 3.8Å; Y493-T532 HydrophobicContact CG-CG2 4.35Å; P530-T532 HydrophobicContact CB-CG2 4.15Å; P530-T532 HydrophobicContact CG-CG2 4.07Å; P530-T532 PolarHBondContact O-N 2.93Å
533L89.8Confident74.8Confident10 Ų1049.1 Ų49.15%0.05225%0.249CC..  trans-96.3126.7169.8-174.465.5000109.2Y493 V494 L500 V531 D537 A538 Y871Y493-L533 WeakPolarHBondContact CA-O 2.99Å; V494-L533 PolarHBondContact N-O 3.02Å; L500-L533 HydrophobicContact CD1-CB 3.97Å; L500-L533 HydrophobicContact CD1-CD2 4.16Å; V531-L533 PolarHBondContact O-N 3.08Å; L533-D537 HydrophobicContact CD1-CB 3.89Å; L533-A538 HydrophobicContact CD2-CB 3.79Å; L533-A538 HydrophobicContact CG-CB 4.08Å; L533-Y871 HydrophobicContact CD1-CD2 4.19Å
534D91.9Very high77.5Confident9 Ų948.7 Ų48.75%0.04825%0.249CC..BIsolated β-bridgetrans-81.9148.8176.7-171.4-30.2000110.6Y493 L536 D537 A538 R549 R1023Y493-D534 HydrophobicContact CD1-CB 4.36Å; D534-L536 VanDerWaalsContact C-N 3.27Å; D534-L536 PolarHBondContact O-N 3.12Å; D534-L536 PolarHBondContact OD1-N 3.26Å; D534-L536 VanDerWaalsContact OD1-N 3.12Å; D534-D537 HydrophobicContact CB-CB 4.17Å; D534-D537 CarbonylContact O-C 3.59Å; D534-D537 WeakPolarHBondContact O-CA 3.16Å; D534-D537 WeakPolarHBondContact O-CB 3.36Å; D534-D537 PolarHBondContact O-N 3.3Å; D534-A538 WeakPolarHBondContact O-CB 3.48Å; D534-A538 PolarHBondContact O-N 3.12Å; D534-R549 VanDerWaalsContact CG-CZ 3.49Å; D534-R549 VanDerWaalsContact CG-NH2 3.31Å; D534-R549 IonicContact OD1-CZ 2.66Å; D534-R549 IonicContact OD1-NE 3.92Å; D534-R549 IonicContact OD1-NH1 3.81Å; D534-R549 PolarHBondContact OD1-NH1 3.36Å; D534-R549 IonicContact OD1-NH2 2.85Å; D534-R549 PolarHBondContact OD1-NH2 2.91Å; D534-R549 IonicContact OD2-CZ 3.74Å; D534-R549 IonicContact OD2-NH1 3.92Å; D534-R549 PolarHBondContact OD2-NH1 3.01Å; D534-R549 IonicContact OD2-NH2 3.24Å; D534-R549 PolarHBondContact OD2-NH2 2.89Å; D534-R1023 VanDerWaalsContact CG-NH1 3.31Å; D534-R1023 WeakPolarHBondContact OD2-CD 3.47Å; D534-R1023 IonicContact OD2-CZ 3.65Å; D534-R1023 IonicContact OD2-NE 2.71Å; D534-R1023 IonicContact OD2-NH1 3.19Å; D534-R1023 PolarHBondContact OD2-NH1 3Å
535F93.5Very high80.3Confident1 Ų144.4 Ų44.40%0.00423%0.226CC..Hα-helixtrans-54.8-41.7174.9171.1-113.9000112.7F486 I488 G492 V494 D537 A538 E539 K545 R549 Y581F486-F535 HydrophobicContact CD2-CD2 4.05Å; F486-F535 HydrophobicContact CD2-CE2 4.1Å; F486-F535 HydrophobicContact CE1-CE2 4.35Å; F486-F535 AromaticContact CE2-CD2 3.87Å; F486-F535 HydrophobicContact CE2-CD2 3.87Å; F486-F535 AromaticContact CE2-CE2 3.67Å; F486-F535 HydrophobicContact CE2-CE2 3.67Å; F486-F535 HydrophobicContact CE2-CZ 4.21Å; F486-F535 HydrophobicContact CZ-CD2 4.46Å; F486-F535 AromaticContact CZ-CE2 3.8Å; F486-F535 HydrophobicContact CZ-CE2 3.8Å; F486-F535 HydrophobicContact CZ-CZ 4.09Å; I488-F535 HydrophobicContact CG2-CB 4.33Å; G492-F535 PolarHBondContact O-N 3.08Å; V494-F535 HydrophobicContact CG2-CB 3.82Å; V494-F535 VanDerWaalsContact CG2-N 3.28Å; F535-D537 PolarHBondContact O-N 2.92Å; F535-A538 PolarHBondContact O-N 3.45Å; F535-E539 HydrophobicContact CE2-CG 4.2Å; F535-E539 WeakPolarHBondContact CE2-OE1 3.1Å; F535-E539 PolarHBondContact O-N 3.29Å; F535-E539 VanDerWaalsContact O-N 3.07Å; F535-K545 HydrophobicContact CE1-CB 4.04Å; F535-K545 HydrophobicContact CZ-CD 4.36Å; F535-R549 HydrophobicContact CD1-CB 4.06Å; F535-R549 HydrophobicContact CD1-CG 4.49Å; F535-R549 HydrophobicContact CE1-CB 4.46Å; F535-Y581 HydrophobicContact CZ-CE1 4.19Å
536L92.1Very high82.9Confident8 Ų843.5 Ų43.54%0.04222%0.219CC..Hα-helixtrans-74-11.3178.6-61-179.8000113.4D534 E539 E541 K545 V546 R1023D534-L536 VanDerWaalsContact C-N 3.27Å; D534-L536 PolarHBondContact O-N 3.12Å; D534-L536 PolarHBondContact OD1-N 3.26Å; D534-L536 VanDerWaalsContact OD1-N 3.12Å; L536-E539 CarbonylContact C-O 3.56Å; L536-E541 HydrophobicContact CD2-CG 4.45Å; L536-K545 HydrophobicContact CD2-CB 4.25Å; L536-V546 HydrophobicContact CD1-CG2 3.82Å; L536-V546 HydrophobicContact CD2-CG2 4.09Å; L536-R1023 HydrophobicContact CD1-CG 4.47Å
537D90.3Very high85.2Confident28 Ų2841.9 Ų41.915%0.1521%0.213CC..Hα-helixtrans-97.4-29.3173-67.1-7.5000110.9R285 L533 D534 F535 Y871 R1023R285-D537 IonicContact CZ-OD2 2.83Å; R285-D537 IonicContact NH1-OD2 3.5Å; R285-D537 IonicContact NH2-OD2 2.79Å; R285-D537 PolarHBondContact NH2-OD2 3.43Å; L533-D537 HydrophobicContact CD1-CB 3.89Å; D534-D537 HydrophobicContact CB-CB 4.17Å; D534-D537 CarbonylContact O-C 3.59Å; D534-D537 WeakPolarHBondContact O-CA 3.16Å; D534-D537 WeakPolarHBondContact O-CB 3.36Å; D534-D537 PolarHBondContact O-N 3.3Å; F535-D537 PolarHBondContact O-N 2.92Å; D537-Y871 HydrophobicContact CB-CD2 3.98Å; D537-Y871 HydrophobicContact CB-CE2 3.65Å; D537-R1023 VanDerWaalsContact CG-NH1 3.35Å; D537-R1023 IonicContact OD1-CZ 3.76Å; D537-R1023 VanDerWaalsContact OD1-CZ 3.28Å; D537-R1023 IonicContact OD1-NH1 3.6Å; D537-R1023 PolarHBondContact OD1-NH1 2.98Å; D537-R1023 IonicContact OD1-NH2 3.85Å; D537-R1023 PolarHBondContact OD1-NH2 3.41Å; D537-R1023 IonicContact OD2-NH1 3.7Å; D537-R1023 PolarHBondContact OD2-NH1 3.4Å
538A88.8Confident87.4Confident9 Ų936 Ų367%0.07419%0.187CC..Hα-helixtrans-73.3-31.6176.800000112.6V494 N499 L533 D534 F535V494-A538 HydrophobicContact CG2-CB 4.42Å; N499-A538 PolarHBondContact ND2-O 3.03Å; L533-A538 HydrophobicContact CD2-CB 3.79Å; L533-A538 HydrophobicContact CG-CB 4.08Å; D534-A538 WeakPolarHBondContact O-CB 3.48Å; D534-A538 PolarHBondContact O-N 3.12Å; F535-A538 PolarHBondContact O-N 3.45Å
539E90.8Very high89.3Confident20 Ų2034.9 Ų34.99%0.09318%0.182CC..SBendtrans-120.1162.8175.8-66.5-171.4-163.900111.8Y484 H497 F535 L536 E541 K545 Y581Y484-E539 VanDerWaalsContact OH-CD 3.24Å; Y484-E539 PolarHBondContact OH-OE1 3.06Å; H497-E539 IonicContact NE2-OE1 2.77Å; H497-E539 PolarHBondContact NE2-OE1 3.37Å; F535-E539 HydrophobicContact CE2-CG 4.2Å; F535-E539 WeakPolarHBondContact CE2-OE1 3.1Å; F535-E539 PolarHBondContact O-N 3.29Å; F535-E539 VanDerWaalsContact O-N 3.07Å; L536-E539 CarbonylContact C-O 3.56Å; E539-E541 PolarHBondContact O-N 3.47Å; E539-K545 WeakPolarHBondContact OE2-CE 3.27Å; E539-K545 IonicContact OE2-NZ 2.9Å; E539-K545 PolarHBondContact OE2-NZ 2.99Å; E539-Y581 PolarHBondContact OE2-OH 3.4Å
540L90.5Very high90.6Very high17 Ų1736.8 Ų36.89%0.08919%0.186CC..  trans-60.5122.2170.2-71.3174.9000110.7K545 L565 K567 I574 T868L540-K545 WeakPolarHBondContact O-CD 3.32Å; L540-K545 PolarHBondContact O-NZ 3.12Å; L540-K545 VanDerWaalsContact O-NZ 3.16Å; L540-L565 HydrophobicContact CD1-CB 3.59Å; L540-L565 WeakPolarHBondContact CD1-O 3.4Å; L540-K567 HydrophobicContact CD1-CB 4.42Å; L540-I574 HydrophobicContact CD1-CD1 3.99Å; L540-I574 HydrophobicContact CD1-CG1 4.29Å; L540-I574 HydrophobicContact CD1-CG2 4.37Å; L540-T868 HydrophobicContact CD2-CG2 3.13Å; L540-T868 HydrophobicContact CG-CG2 4.44Å
541E89Confident91.5Very high111 Ų11138.4 Ų38.452%0.51919%0.193SC..  trans-63.6137.5180-175.2166.6-177.700111.5L536 E539 V546 R1023L536-E541 HydrophobicContact CD2-CG 4.45Å; E539-E541 PolarHBondContact O-N 3.47Å; E541-V546 HydrophobicContact CG-CG2 4.34Å; E541-R1023 IonicContact OE2-NH2 3.67Å
542N90.6Very high92.1Very high50 Ų5038.3 Ų38.327%0.26719%0.192SC..  trans-150.1141.9177.2-177.3-26.1000108I544 K545 V546N542-I544 PolarHBondContact O-N 2.83Å; N542-I544 VanDerWaalsContact O-N 3.14Å; N542-I544 PolarHBondContact OD1-N 2.57Å; N542-K545 HydrophobicContact CB-CB 4.3Å; N542-K545 HydrophobicContact CB-CD 4.3Å; N542-K545 HydrophobicContact CB-CG 4.12Å; N542-K545 WeakPolarHBondContact O-CA 3.44Å; N542-K545 WeakPolarHBondContact O-CB 3.42Å; N542-K545 PolarHBondContact O-N 2.6Å; N542-V546 WeakPolarHBondContact O-CG2 3.33Å; N542-V546 PolarHBondContact O-N 2.85Å
543D91.3Very high92.5Very high140 Ų14037.3 Ų37.375%0.74919%0.186SC*.Hα-helixtrans-50.8-38.8178.7-63-26.1000112.6V546 E547D543-V546 WeakPolarHBondContact O-CB 3.46Å; D543-V546 PolarHBondContact O-N 2.88Å; D543-E547 PolarHBondContact O-N 3.07Å
544I92.8Very high92.6Very high77 Ų7741.4 Ų41.440%0.39521%0.205SC..Hα-helixtrans-71.5-33.7178.3-52170000111.3N542 E547 I548 I562N542-I544 PolarHBondContact O-N 2.83Å; N542-I544 VanDerWaalsContact O-N 3.14Å; N542-I544 PolarHBondContact OD1-N 2.57Å; I544-E547 WeakPolarHBondContact O-CB 3.36Å; I544-E547 PolarHBondContact O-N 3.14Å; I544-I548 HydrophobicContact CG2-CD1 4.27Å; I544-I548 WeakPolarHBondContact O-CG1 3.48Å; I544-I548 PolarHBondContact O-N 3.41Å; I544-I562 HydrophobicContact CB-CG2 4.12Å; I544-I562 HydrophobicContact CD1-CG2 4.01Å; I544-I562 HydrophobicContact CG2-CG2 3.5Å; I544-I562 VanDerWaalsContact CG2-CG2 3.5Å
545K93.9Very high92.6Very high5 Ų542.6 Ų42.62%0.02222%0.219CC..Hα-helixtrans-69.7-33.7175.1-70.9-173.7-173.4-175.60112F535 L536 E539 L540 N542 E547 I548 R549 I562 Y581F535-K545 HydrophobicContact CE1-CB 4.04Å; F535-K545 HydrophobicContact CZ-CD 4.36Å; L536-K545 HydrophobicContact CD2-CB 4.25Å; E539-K545 WeakPolarHBondContact OE2-CE 3.27Å; E539-K545 IonicContact OE2-NZ 2.9Å; E539-K545 PolarHBondContact OE2-NZ 2.99Å; L540-K545 WeakPolarHBondContact O-CD 3.32Å; L540-K545 PolarHBondContact O-NZ 3.12Å; L540-K545 VanDerWaalsContact O-NZ 3.16Å; N542-K545 HydrophobicContact CB-CB 4.3Å; N542-K545 HydrophobicContact CB-CD 4.3Å; N542-K545 HydrophobicContact CB-CG 4.12Å; N542-K545 WeakPolarHBondContact O-CA 3.44Å; N542-K545 WeakPolarHBondContact O-CB 3.42Å; N542-K545 PolarHBondContact O-N 2.6Å; K545-E547 VanDerWaalsContact C-N 3.27Å; K545-E547 PolarHBondContact O-N 3.07Å; K545-I548 PolarHBondContact O-N 3.46Å; K545-R549 WeakPolarHBondContact O-CB 3.47Å; K545-R549 PolarHBondContact O-N 2.9Å; K545-I562 HydrophobicContact CG-CD1 3.9Å; K545-Y581 WeakPolarHBondContact CE-OH 3.28Å
546V94.5Very high92.6Very high58 Ų5847.1 Ų47.135%0.35224%0.24SC..Hα-helixtrans-60.9-41.9171.9179.20000110.2L536 E541 N542 D543 R549 R550L536-V546 HydrophobicContact CD1-CG2 3.82Å; L536-V546 HydrophobicContact CD2-CG2 4.09Å; E541-V546 HydrophobicContact CG-CG2 4.34Å; N542-V546 WeakPolarHBondContact O-CG2 3.33Å; N542-V546 PolarHBondContact O-N 2.85Å; D543-V546 WeakPolarHBondContact O-CB 3.46Å; D543-V546 PolarHBondContact O-N 2.88Å; V546-R549 PolarHBondContact O-N 3.4Å; V546-R550 PolarHBondContact O-N 2.93Å
547E94Very high92.7Very high70 Ų7052.4 Ų52.433%0.32727%0.267SS..Hα-helixtrans-67.7-45.1177.7-174.660.7-148.300112.2D543 I544 K545 R549 R550 M551D543-E547 PolarHBondContact O-N 3.07Å; I544-E547 WeakPolarHBondContact O-CB 3.36Å; I544-E547 PolarHBondContact O-N 3.14Å; K545-E547 VanDerWaalsContact C-N 3.27Å; K545-E547 PolarHBondContact O-N 3.07Å; E547-R549 VanDerWaalsContact C-N 3.34Å; E547-R549 PolarHBondContact O-N 3.09Å; E547-R550 WeakPolarHBondContact O-CB 3.48Å; E547-R550 PolarHBondContact O-N 3.18Å; E547-R550 IonicContact OE1-CZ 3.77Å; E547-R550 IonicContact OE1-NE 3.87Å; E547-R550 IonicContact OE1-NH2 2.7Å; E547-R550 PolarHBondContact OE1-NH2 3.48Å; E547-R550 IonicContact OE2-CZ 3.66Å; E547-R550 IonicContact OE2-NE 2.75Å; E547-R550 IonicContact OE2-NH1 3.73Å; E547-R550 IonicContact OE2-NH2 3.37Å; E547-R550 PolarHBondContact OE2-NH2 3.43Å; E547-M551 HydrophobicContact CG-CE 3.55Å; E547-M551 PolarHBondContact O-N 3.2Å
548I94.9Very high92.9Very high1 Ų152 Ų521%0.00527%0.271CS..Hα-helixtrans-57.7-47.6173.3-68.7166.1000110.5I544 K545 R550 M551 M552 I562 Y581 W583I544-I548 HydrophobicContact CG2-CD1 4.27Å; I544-I548 WeakPolarHBondContact O-CG1 3.48Å; I544-I548 PolarHBondContact O-N 3.41Å; K545-I548 PolarHBondContact O-N 3.46Å; I548-R550 VanDerWaalsContact C-N 3.3Å; I548-R550 PolarHBondContact O-N 3.14Å; I548-M551 PolarHBondContact O-N 3.02Å; I548-M552 HydrophobicContact CG2-CG 4.39Å; I548-M552 HydrophobicContact CG2-SD 3.98Å; I548-M552 WeakPolarHBondContact O-CG 3.42Å; I548-M552 PolarHBondContact O-N 3.16Å; I548-I562 HydrophobicContact CD1-CD1 4.18Å; I548-Y581 HydrophobicContact CD1-CG 4.21Å; I548-W583 HydrophobicContact CB-CH2 4.47Å; I548-W583 HydrophobicContact CB-CZ3 4.43Å; I548-W583 HydrophobicContact CD1-CZ3 4.32Å; I548-W583 HydrophobicContact CG1-CH2 3.89Å; I548-W583 HydrophobicContact CG1-CZ3 3.92Å; I548-W583 HydrophobicContact CG2-CD2 4.27Å; I548-W583 HydrophobicContact CG2-CE3 3.82Å; I548-W583 HydrophobicContact CG2-CH2 4.19Å; I548-W583 HydrophobicContact CG2-CZ3 3.78Å
549R95.4Very high93.2Very high8 Ų857.9 Ų57.93%0.0330%0.296CS..Hα-helixtrans-56.8-44.3176.8174.8-174.6168.717310111.5N491 D534 F535 K545 V546 E547 M552 I553N491-R549 PolarHBondContact O-NH2 3.36Å; N491-R549 VanDerWaalsContact O-NH2 3.13Å; D534-R549 VanDerWaalsContact CG-CZ 3.49Å; D534-R549 VanDerWaalsContact CG-NH2 3.31Å; D534-R549 IonicContact OD1-CZ 2.66Å; D534-R549 IonicContact OD1-NE 3.92Å; D534-R549 IonicContact OD1-NH1 3.81Å; D534-R549 PolarHBondContact OD1-NH1 3.36Å; D534-R549 IonicContact OD1-NH2 2.85Å; D534-R549 PolarHBondContact OD1-NH2 2.91Å; D534-R549 IonicContact OD2-CZ 3.74Å; D534-R549 IonicContact OD2-NH1 3.92Å; D534-R549 PolarHBondContact OD2-NH1 3.01Å; D534-R549 IonicContact OD2-NH2 3.24Å; D534-R549 PolarHBondContact OD2-NH2 2.89Å; F535-R549 HydrophobicContact CD1-CB 4.06Å; F535-R549 HydrophobicContact CD1-CG 4.49Å; F535-R549 HydrophobicContact CE1-CB 4.46Å; K545-R549 WeakPolarHBondContact O-CB 3.47Å; K545-R549 PolarHBondContact O-N 2.9Å; V546-R549 PolarHBondContact O-N 3.4Å; E547-R549 VanDerWaalsContact C-N 3.34Å; E547-R549 PolarHBondContact O-N 3.09Å; R549-M552 PolarHBondContact O-N 3.45Å; R549-I553 HydrophobicContact CG-CD1 3.82Å; R549-I553 HydrophobicContact CG-CG1 4.46Å; R549-I553 VanDerWaalsContact O-CG1 3.3Å; R549-I553 WeakPolarHBondContact O-CG1 3.23Å; R549-I553 PolarHBondContact O-N 3.34Å
550R95.1Very high93.4Very high100 Ų10058.5 Ų58.538%0.37730%0.303SS..Hα-helixtrans-60.6-50.2178.3-178.2179.969-173.62.2111.2V546 E547 I548 M552 I553 E554V546-R550 PolarHBondContact O-N 2.93Å; E547-R550 WeakPolarHBondContact O-CB 3.48Å; E547-R550 PolarHBondContact O-N 3.18Å; E547-R550 IonicContact OE1-CZ 3.77Å; E547-R550 IonicContact OE1-NE 3.87Å; E547-R550 IonicContact OE1-NH2 2.7Å; E547-R550 PolarHBondContact OE1-NH2 3.48Å; E547-R550 IonicContact OE2-CZ 3.66Å; E547-R550 IonicContact OE2-NE 2.75Å; E547-R550 IonicContact OE2-NH1 3.73Å; E547-R550 IonicContact OE2-NH2 3.37Å; E547-R550 PolarHBondContact OE2-NH2 3.43Å; I548-R550 VanDerWaalsContact C-N 3.3Å; I548-R550 PolarHBondContact O-N 3.14Å; R550-M552 VanDerWaalsContact C-N 3.28Å; R550-M552 PolarHBondContact O-N 3.03Å; R550-I553 PolarHBondContact O-N 3.26Å; R550-I553 VanDerWaalsContact O-N 3.15Å; R550-E554 WeakPolarHBondContact O-CG 3.44Å; R550-E554 PolarHBondContact O-N 3.15Å
551M94.9Very high93.5Very high47 Ų4761.7 Ų61.723%0.23232%0.323CS..Hα-helixtrans-59.2-40179-71.1-173.2-118.900112.1E547 I548 E554 G555 E556 W583E547-M551 HydrophobicContact CG-CE 3.55Å; E547-M551 PolarHBondContact O-N 3.2Å; I548-M551 PolarHBondContact O-N 3.02Å; M551-E554 PolarHBondContact O-N 3.33Å; M551-G555 PolarHBondContact O-N 2.91Å; M551-E556 HydrophobicContact CB-CB 4.42Å; M551-E556 PolarHBondContact O-N 3.12Å; M551-W583 HydrophobicContact CB-CZ2 4.26Å; M551-W583 HydrophobicContact SD-CZ2 3.88Å
552M94.6Very high93.7Very high4 Ų456.8 Ų56.82%0.0230%0.3CS..Hα-helixtrans-66.2-39.2176-72.6-178.871.100112.8F486 I488 I548 R549 R550 E554 G555 W583 S592 A594F486-M552 HydrophobicContact CD2-CE 4.47Å; F486-M552 HydrophobicContact CE2-CE 3.78Å; F486-M552 HydrophobicContact CE2-SD 3.82Å; F486-M552 HydrophobicContact CZ-CE 4.29Å; F486-M552 HydrophobicContact CZ-SD 3.99Å; I488-M552 HydrophobicContact CD1-CB 3.37Å; I488-M552 HydrophobicContact CD1-CE 3.92Å; I488-M552 HydrophobicContact CD1-CG 4.32Å; I488-M552 HydrophobicContact CD1-SD 4.1Å; I488-M552 HydrophobicContact CG1-CB 4.22Å; I488-M552 HydrophobicContact CG1-CE 3.91Å; I488-M552 HydrophobicContact CG2-CE 4.44Å; I548-M552 HydrophobicContact CG2-CG 4.39Å; I548-M552 HydrophobicContact CG2-SD 3.98Å; I548-M552 WeakPolarHBondContact O-CG 3.42Å; I548-M552 PolarHBondContact O-N 3.16Å; R549-M552 PolarHBondContact O-N 3.45Å; R550-M552 VanDerWaalsContact C-N 3.28Å; R550-M552 PolarHBondContact O-N 3.03Å; M552-E554 VanDerWaalsContact C-N 3.3Å; M552-E554 PolarHBondContact O-N 3.09Å; M552-G555 PolarHBondContact O-N 3.09Å; M552-G555 VanDerWaalsContact O-N 3.13Å; M552-W583 HydrophobicContact CE-CB 3.96Å; M552-W583 HydrophobicContact CG-CB 3.72Å; M552-W583 VanDerWaalsContact CG-CD1 3.41Å; M552-W583 HydrophobicContact CG-CD2 4Å; M552-W583 HydrophobicContact CG-CG 3.42Å; M552-W583 VanDerWaalsContact CG-CG 3.42Å; M552-W583 HydrophobicContact SD-CB 3.85Å; M552-W583 HydrophobicContact SD-CG 4.06Å; M552-S592 WeakPolarHBondContact O-CB 3.23Å; M552-A594 HydrophobicContact CE-CB 3.47Å; M552-A594 VanDerWaalsContact CE-CB 3.47Å; M552-A594 HydrophobicContact SD-CB 3.97Å
553I94.6Very high93.8Very high11 Ų1159.4 Ų59.46%0.05631%0.314CS..Hα-helixtrans-65.4-35.3175.2-72.5169.3000111.3I488 P490 R549 R550 G555 K1026I488-I553 HydrophobicContact CD1-CG1 4.08Å; P490-I553 VanDerWaalsContact O-CG2 3.27Å; P490-I553 WeakPolarHBondContact O-CG2 3.26Å; R549-I553 HydrophobicContact CG-CD1 3.82Å; R549-I553 HydrophobicContact CG-CG1 4.46Å; R549-I553 VanDerWaalsContact O-CG1 3.3Å; R549-I553 WeakPolarHBondContact O-CG1 3.23Å; R549-I553 PolarHBondContact O-N 3.34Å; R550-I553 PolarHBondContact O-N 3.26Å; R550-I553 VanDerWaalsContact O-N 3.15Å; I553-G555 PolarHBondContact O-N 2.81Å; I553-K1026 HydrophobicContact CG2-CB 3.7Å
554E92.4Very high93.7Very high95 Ų9553 Ų5344%0.44428%0.28SS..Hα-helixtrans-73.8-11.1175.6-69.3179.3-177.300112.8R550 M551 M552 E556 H1024R550-E554 WeakPolarHBondContact O-CG 3.44Å; R550-E554 PolarHBondContact O-N 3.15Å; M551-E554 PolarHBondContact O-N 3.33Å; M552-E554 VanDerWaalsContact C-N 3.3Å; M552-E554 PolarHBondContact O-N 3.09Å; E554-E556 HydrophobicContact CB-CG 4.34Å; E554-H1024 IonicContact OE1-NE2 3.96Å
555G90.9Very high93.6Very high35 Ų3551.4 Ų51.436%0.36127%0.273SS..THydrogen-bonded Turntrans82.224.4177.500000113.9M551 M552 I553M551-G555 PolarHBondContact O-N 2.91Å; M552-G555 PolarHBondContact O-N 3.09Å; M552-G555 VanDerWaalsContact O-N 3.13Å; I553-G555 PolarHBondContact O-N 2.81Å
556E93Very high93.4Very high95 Ų9553.2 Ų53.244%0.44428%0.284SS..  trans-79.1156.8177.7-57.8-166.7152.700111.9M551 E554 W583M551-E556 HydrophobicContact CB-CB 4.42Å; M551-E556 PolarHBondContact O-N 3.12Å; E554-E556 HydrophobicContact CB-CG 4.34Å; E556-W583 PolarHBondContact O-NE1 2.77Å
557I94.8Very high93.2Very high119 Ų11953 Ų5361%0.6128%0.278SS*.  trans-102.3131.7172.2-61.1170.1000107.5A584 P585I557-A584 HydrophobicContact CG1-CB 4.22Å; I557-P585 HydrophobicContact CG1-CG 4.39Å
558G93.9Very high92.8Very high21 Ų2150.3 Ų50.322%0.21627%0.266CS..EExtended strand (participates in β ladder)trans-163.3168-178.100000114.6T582 W583G558-T582 WeakPolarHBondContact O-CA 3.44Å; G558-W583 PolarHBondContact N-O 2.97Å; G558-W583 PolarHBondContact O-N 3Å
559E95.2Very high92.1Very high132 Ų13253.5 Ų53.562%0.61728%0.281SS*.EExtended strand (participates in β ladder)trans-136139173.9-175.9-176.6-170.700109T580 Y581E559-T580 HydrophobicContact CG-CG2 3.76Å; E559-T580 WeakPolarHBondContact OE1-CG2 3.47Å; E559-Y581 CarbonylContact C-O 3.56Å; E559-Y581 VanDerWaalsContact CA-O 3.26Å; E559-Y581 WeakPolarHBondContact CA-O 3.33Å
560S94.4Very high91.4Very high33 Ų3356.3 Ų56.323%0.23130%0.297CS..EExtended strand (participates in β ladder)trans-147.5129.9175.8-1760000111.1Y581S560-Y581 PolarHBondContact N-O 2.91Å; S560-Y581 PolarHBondContact O-N 2.84Å
561T94.3Very high90.8Very high84 Ų8454 Ų5452%0.51529%0.29SS..EExtended strand (participates in β ladder)trans-100.3124.3173.1-52.80000109.9V578 R579 T580T561-V578 HydrophobicContact CG2-CG1 3.59Å; T561-R579 WeakPolarHBondContact CA-O 3.14Å; T561-T580 PolarHBondContact OG1-OG1 2.69Å
562I93.4Very high90.4Very high7 Ų753.7 Ų53.74%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-130.1145.5-176.258.7178000111.4I544 K545 I548 T564 V578 R579 Y581I544-I562 HydrophobicContact CB-CG2 4.12Å; I544-I562 HydrophobicContact CD1-CG2 4.01Å; I544-I562 HydrophobicContact CG2-CG2 3.5Å; I544-I562 VanDerWaalsContact CG2-CG2 3.5Å; K545-I562 HydrophobicContact CG-CD1 3.9Å; I548-I562 HydrophobicContact CD1-CD1 4.18Å; I562-T564 HydrophobicContact CB-CG2 4.05Å; I562-T564 HydrophobicContact CD1-CG2 3.3Å; I562-T564 HydrophobicContact CG1-CG2 3.5Å; I562-T564 VanDerWaalsContact CG1-CG2 3.5Å; I562-V578 WeakPolarHBondContact O-CA 3.48Å; I562-R579 PolarHBondContact N-O 2.83Å; I562-R579 PolarHBondContact O-N 2.98Å; I562-Y581 HydrophobicContact CD1-CD2 3.78Å; I562-Y581 HydrophobicContact CD1-CE2 3.46Å; I562-Y581 VanDerWaalsContact CD1-CE2 3.46Å; I562-Y581 HydrophobicContact CG1-CD2 3.82Å; I562-Y581 HydrophobicContact CG1-CE2 3.69Å
563D90.7Very high90.3Very high105 Ų10553.5 Ų53.556%0.56129%0.286SS*.EExtended strand (participates in β ladder)trans-89.2118.8166.1-169.5-1000108.2
564T90.8Very high90.1Very high6 Ų653.1 Ų53.14%0.03728%0.284CS..EExtended strand (participates in β ladder)trans-137.8153.2-171.551.60000112.5I562 G577I562-T564 HydrophobicContact CB-CG2 4.05Å; I562-T564 HydrophobicContact CD1-CG2 3.3Å; I562-T564 HydrophobicContact CG1-CG2 3.5Å; I562-T564 VanDerWaalsContact CG1-CG2 3.5Å; T564-G577 PolarHBondContact N-O 3.24Å; T564-G577 PolarHBondContact O-N 3.46Å; T564-G577 PolarHBondContact OG1-O 2.77Å
565L90.6Very high90Very high44 Ų4449 Ų4923%0.2327%0.265CS..EExtended strand (participates in β ladder)trans-77.2127.3168.2-61.6175.9000108.9L540 I574 D575 R576 F953L540-L565 HydrophobicContact CD1-CB 3.59Å; L540-L565 WeakPolarHBondContact CD1-O 3.4Å; L565-I574 HydrophobicContact CB-CG2 3.65Å; L565-I574 HydrophobicContact CD1-CG2 4.37Å; L565-I574 HydrophobicContact CD2-CG2 3.75Å; L565-I574 HydrophobicContact CG-CG2 4.11Å; L565-D575 WeakPolarHBondContact CA-O 3.09Å; L565-R576 HydrophobicContact CD2-CG 3.54Å; L565-F953 HydrophobicContact CD1-CE1 4.25Å; L565-F953 HydrophobicContact CD1-CE2 4.46Å; L565-F953 HydrophobicContact CD1-CZ 3.88Å; L565-F953 HydrophobicContact CD2-CD2 4.42Å; L565-F953 HydrophobicContact CD2-CE2 4.07Å; L565-F953 HydrophobicContact CD2-CZ 4.27Å
566V90.1Very high89.9Confident42 Ų4252.1 Ų52.126%0.25527%0.266SS..EExtended strand (participates in β ladder)trans-111.5119.9177.5-177.50000108I574 D575V566-I574 WeakPolarHBondContact O-CA 3.33Å; V566-D575 PolarHBondContact N-O 2.93Å; V566-D575 PolarHBondContact O-N 3.47Å
567K89.6Confident89.8Confident53 Ų5347.9 Ų47.923%0.2325%0.248CC..EExtended strand (participates in β ladder)trans-74.1137.1173.7-175.1-175.4173.5-163.20109.4L540 E571L540-K567 HydrophobicContact CD1-CB 4.42Å; K567-E571 VanDerWaalsContact NZ-CD 3.33Å; K567-E571 IonicContact NZ-OE1 2.72Å; K567-E571 PolarHBondContact NZ-OE1 3.32Å
568T85.7Confident89.6Confident14 Ų1445.9 Ų45.99%0.08624%0.24CC..  trans-81157.6179.755.50000112.4D570 E571 Y573 D575 R738T568-D570 VanDerWaalsContact C-N 3.3Å; T568-D570 PolarHBondContact O-N 2.63Å; T568-E571 WeakPolarHBondContact O-CA 3.18Å; T568-E571 PolarHBondContact O-N 2.93Å; T568-Y573 WeakPolarHBondContact CB-O 3.39Å; T568-Y573 WeakPolarHBondContact CG2-O 3.45Å; T568-Y573 PolarHBondContact N-O 3.23Å; T568-Y573 WeakPolarHBondContact OG1-CA 3.21Å; T568-Y573 WeakPolarHBondContact OG1-CB 3.44Å; T568-Y573 PolarHBondContact OG1-N 2.9Å; T568-Y573 PolarHBondContact OG1-O 2.97Å; T568-D575 WeakPolarHBondContact CG2-OD2 3.25Å; T568-R738 HydrophobicContact CG2-CG 3.48Å; T568-R738 VanDerWaalsContact CG2-CG 3.48Å
569Q80.8Confident89.6Confident68 Ų6845.1 Ų45.132%0.31823%0.231SC..THydrogen-bonded Turntrans-62.7-34.6-175.7-168.671.643.800113E571Q569-E571 PolarHBondContact O-N 3.1Å
570D78.9Confident89.6Confident67 Ų6739.6 Ų39.636%0.35821%0.207SC..THydrogen-bonded Turntrans-80.4-0.4176.4-53.7-21.7000112.5T568 R572 S734T568-D570 VanDerWaalsContact C-N 3.3Å; T568-D570 PolarHBondContact O-N 2.63Å; D570-R572 HydrophobicContact CB-CG 4.48Å; D570-R572 WeakPolarHBondContact O-CG 3.3Å; D570-R572 PolarHBondContact O-N 3.23Å; D570-R572 IonicContact OD2-NH2 3.24Å; D570-R572 PolarHBondContact OD2-NH2 3.19Å; D570-S734 WeakPolarHBondContact OD1-CB 3.48Å; D570-S734 WeakPolarHBondContact OD2-CB 3.35Å; D570-S734 PolarHBondContact OD2-OG 2.85Å
571E84Confident89.6Confident52 Ų5238.1 Ų38.124%0.24320%0.196CC..SBendtrans61.613177.2-43.9-165.3124.400115.5K567 T568 Q569 Q949 Q951K567-E571 VanDerWaalsContact NZ-CD 3.33Å; K567-E571 IonicContact NZ-OE1 2.72Å; K567-E571 PolarHBondContact NZ-OE1 3.32Å; T568-E571 WeakPolarHBondContact O-CA 3.18Å; T568-E571 PolarHBondContact O-N 2.93Å; Q569-E571 PolarHBondContact O-N 3.1Å; E571-Q949 VanDerWaalsContact CD-NE2 3.33Å; E571-Q949 PolarHBondContact OE1-NE2 2.97Å; E571-Q949 PolarHBondContact OE2-NE2 3.35Å; E571-Q949 PolarHBondContact OE2-OE1 3.47Å; E571-Q951 WeakPolarHBondContact O-CG 3.4Å; E571-Q951 PolarHBondContact O-NE2 3Å
572R86.8Confident89.7Confident40 Ų4034.6 Ų34.615%0.15117%0.174CC..SBendtrans-91.3-28.9-179-72-172.4-65.5161.5-0.9113.9D570 A749 F829 Q1005D570-R572 HydrophobicContact CB-CG 4.48Å; D570-R572 WeakPolarHBondContact O-CG 3.3Å; D570-R572 PolarHBondContact O-N 3.23Å; D570-R572 IonicContact OD2-NH2 3.24Å; D570-R572 PolarHBondContact OD2-NH2 3.19Å; R572-A749 PolarHBondContact NH1-O 3.44Å; R572-F829 HydrophobicContact CB-CE2 3.83Å; R572-F829 HydrophobicContact CB-CZ 3.82Å; R572-F829 HydrophobicContact CG-CE2 4.34Å; R572-F829 HydrophobicContact CG-CZ 3.85Å; R572-Q1005 PolarHBondContact O-NE2 3Å
573Y90.7Very high89.8Confident0 Ų034.5 Ų34.50%017%0.174CC..BIsolated β-bridgetrans-126.8155.7-170.8-55.7-79.7000111.7T568 T748 A749 D825 F829T568-Y573 WeakPolarHBondContact CB-O 3.39Å; T568-Y573 WeakPolarHBondContact CG2-O 3.45Å; T568-Y573 PolarHBondContact N-O 3.23Å; T568-Y573 WeakPolarHBondContact OG1-CA 3.21Å; T568-Y573 WeakPolarHBondContact OG1-CB 3.44Å; T568-Y573 PolarHBondContact OG1-N 2.9Å; T568-Y573 PolarHBondContact OG1-O 2.97Å; Y573-T748 HydrophobicContact CE2-CG2 4.46Å; Y573-A749 PolarHBondContact OH-N 3.01Å; Y573-D825 WeakPolarHBondContact CE1-OD2 3.32Å; Y573-D825 VanDerWaalsContact CZ-OD2 3.32Å; Y573-D825 PolarHBondContact OH-OD2 3.32Å; Y573-F829 HydrophobicContact CD1-CE2 4.46Å; Y573-F829 AromaticContact CE1-CD2 3.72Å; Y573-F829 HydrophobicContact CE1-CD2 3.72Å; Y573-F829 AromaticContact CE1-CE2 3.93Å; Y573-F829 HydrophobicContact CE1-CE2 3.93Å; Y573-F829 AromaticContact CZ-CD2 3.85Å
574I91.8Very high90.1Very high3 Ų330.1 Ų30.12%0.01515%0.152CC..EExtended strand (participates in β ladder)trans-125.2126.9168-72.3174.7000107.7L540 L565 V566 N866 Q951 F953L540-I574 HydrophobicContact CD1-CD1 3.99Å; L540-I574 HydrophobicContact CD1-CG1 4.29Å; L540-I574 HydrophobicContact CD1-CG2 4.37Å; L565-I574 HydrophobicContact CB-CG2 3.65Å; L565-I574 HydrophobicContact CD1-CG2 4.37Å; L565-I574 HydrophobicContact CD2-CG2 3.75Å; L565-I574 HydrophobicContact CG-CG2 4.11Å; V566-I574 WeakPolarHBondContact O-CA 3.33Å; I574-N866 HydrophobicContact CD1-CB 3.97Å; I574-Q951 HydrophobicContact CD1-CB 3.55Å; I574-Q951 HydrophobicContact CD1-CG 4.42Å; I574-Q951 HydrophobicContact CG1-CB 3.66Å; I574-Q951 HydrophobicContact CG1-CG 4.28Å; I574-F953 HydrophobicContact CB-CB 4.24Å; I574-F953 HydrophobicContact CB-CD1 4.05Å; I574-F953 HydrophobicContact CB-CG 4.33Å; I574-F953 HydrophobicContact CD1-CD1 4.23Å; I574-F953 HydrophobicContact CD1-CE1 4.49Å; I574-F953 HydrophobicContact CG2-CD1 4.09Å; I574-F953 HydrophobicContact CG2-CG 4.27Å; I574-F953 WeakPolarHBondContact O-CB 3.33Å
575D90.4Very high90.3Very high8 Ų831.4 Ų31.44%0.04316%0.16CC..EExtended strand (participates in β ladder)trans-110.6148.1176.1-66.5-62.8000110.2L565 V566 T568 R738 N742L565-D575 WeakPolarHBondContact CA-O 3.09Å; V566-D575 PolarHBondContact N-O 2.93Å; V566-D575 PolarHBondContact O-N 3.47Å; T568-D575 WeakPolarHBondContact CG2-OD2 3.25Å; D575-R738 IonicContact OD1-NE 3.95Å; D575-R738 IonicContact OD1-NH2 2.9Å; D575-R738 PolarHBondContact OD1-NH2 2.93Å; D575-R738 VanDerWaalsContact OD2-CG 3.23Å; D575-R738 WeakPolarHBondContact OD2-CG 3.34Å; D575-R738 IonicContact OD2-CZ 2.58Å; D575-R738 IonicContact OD2-NE 2.99Å; D575-R738 PolarHBondContact OD2-NE 2.69Å; D575-R738 IonicContact OD2-NH2 2.84Å; D575-N742 PolarHBondContact OD1-ND2 2.81Å
576R89Confident90.5Very high102 Ų10229.5 Ų29.539%0.38515%0.15SC..EExtended strand (participates in β ladder)trans-86.3126.7171.3-75.8177.3178.2173-2.6109.2L565 D955L565-R576 HydrophobicContact CD2-CG 3.54Å; R576-D955 IonicContact CZ-OD1 2.7Å; R576-D955 PolarHBondContact NH1-O 2.98Å; R576-D955 PolarHBondContact NH2-O 3.42Å; R576-D955 IonicContact NH2-OD1 2.76Å; R576-D955 PolarHBondContact NH2-OD1 2.89Å
577G89.1Confident90.5Very high6 Ų632.4 Ų32.46%0.06216%0.164CC..EExtended strand (participates in β ladder)trans-140.5135.5-178.400000112.3T564T564-G577 PolarHBondContact N-O 3.24Å; T564-G577 PolarHBondContact O-N 3.46Å; T564-G577 PolarHBondContact OG1-O 2.77Å
578V92Very high90.3Very high76 Ų7633.8 Ų33.846%0.46119%0.194SC..EExtended strand (participates in β ladder)trans-82.2116.5170.7-177.80000109T561 I562T561-V578 HydrophobicContact CG2-CG1 3.59Å; I562-V578 WeakPolarHBondContact O-CA 3.48Å
579R93.5Very high90.4Very high6 Ų634.4 Ų34.42%0.02320%0.198CC..EExtended strand (participates in β ladder)trans-122.7133.9-175.6-58.3-53.3-178.7123.2-6.6110.3N482 T561 I562 Y581 V596 D741N482-R579 PolarHBondContact ND2-NH2 3.48Å; N482-R579 PolarHBondContact O-NH1 3.15Å; T561-R579 WeakPolarHBondContact CA-O 3.14Å; I562-R579 PolarHBondContact N-O 2.83Å; I562-R579 PolarHBondContact O-N 2.98Å; R579-Y581 HydrophobicContact CB-CD2 4.23Å; R579-Y581 HydrophobicContact CB-CE2 3.69Å; R579-V596 HydrophobicContact CB-CG1 3.92Å; R579-V596 HydrophobicContact CG-CG1 4.3Å; R579-D741 IonicContact CZ-OD1 3.65Å; R579-D741 IonicContact CZ-OD2 2.83Å; R579-D741 IonicContact NH2-OD1 2.82Å; R579-D741 PolarHBondContact NH2-OD1 3.37Å; R579-D741 VanDerWaalsContact NH2-OD1 3.16Å; R579-D741 IonicContact NH2-OD2 3.78Å; R579-D741 PolarHBondContact NH2-OD2 3.45Å
580T94.8Very high90.8Very high16 Ų1637 Ų3710%0.09821%0.214CC..EExtended strand (participates in β ladder)trans-99.9122171.3-60.90000108.6E559 T561 V596 L597E559-T580 HydrophobicContact CG-CG2 3.76Å; E559-T580 WeakPolarHBondContact OE1-CG2 3.47Å; T561-T580 PolarHBondContact OG1-OG1 2.69Å; T580-V596 WeakPolarHBondContact O-CA 3.25Å; T580-L597 PolarHBondContact N-O 3.17Å; T580-L597 PolarHBondContact O-N 3.39Å
581Y95.5Very high91.4Very high2 Ų234.4 Ų34.41%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-102.2124.2175.8-72.7-109.1000108F486 F535 E539 K545 I548 E559 S560 I562 R579 W583 V596F486-Y581 AromaticContact CE1-CD1 3.75Å; F486-Y581 HydrophobicContact CE1-CD1 3.75Å; F486-Y581 AromaticContact CE1-CE1 3.9Å; F486-Y581 HydrophobicContact CE1-CE1 3.9Å; F486-Y581 AromaticContact CZ-CD1 3.94Å; F486-Y581 HydrophobicContact CZ-CD1 3.94Å; F486-Y581 HydrophobicContact CZ-CE1 4.19Å; F535-Y581 HydrophobicContact CZ-CE1 4.19Å; E539-Y581 PolarHBondContact OE2-OH 3.4Å; K545-Y581 WeakPolarHBondContact CE-OH 3.28Å; I548-Y581 HydrophobicContact CD1-CG 4.21Å; E559-Y581 CarbonylContact C-O 3.56Å; E559-Y581 VanDerWaalsContact CA-O 3.26Å; E559-Y581 WeakPolarHBondContact CA-O 3.33Å; S560-Y581 PolarHBondContact N-O 2.91Å; S560-Y581 PolarHBondContact O-N 2.84Å; I562-Y581 HydrophobicContact CD1-CD2 3.78Å; I562-Y581 HydrophobicContact CD1-CE2 3.46Å; I562-Y581 VanDerWaalsContact CD1-CE2 3.46Å; I562-Y581 HydrophobicContact CG1-CD2 3.82Å; I562-Y581 HydrophobicContact CG1-CE2 3.69Å; R579-Y581 HydrophobicContact CB-CD2 4.23Å; R579-Y581 HydrophobicContact CB-CE2 3.69Å; Y581-W583 WeakPolarHBondContact O-CZ3 3.01Å; Y581-V596 HydrophobicContact CD1-CG2 3.58Å; Y581-V596 HydrophobicContact CD2-CG1 4.43Å; Y581-V596 HydrophobicContact CE1-CG1 4.38Å; Y581-V596 HydrophobicContact CE1-CG2 3.39Å; Y581-V596 HydrophobicContact CE2-CG1 4.08Å; Y581-V596 HydrophobicContact CE2-CG2 4.49Å; Y581-V596 HydrophobicContact CG-CG2 4.21Å
582T96.2Very high92Very high10 Ų1032 Ų326%0.06119%0.188CC..EExtended strand (participates in β ladder)trans-123.1131.3174.4-51.60000108.4A49 E50 G558 A594 L595A49-T582 HydrophobicContact CB-CG2 4.4Å; E50-T582 HydrophobicContact CB-CG2 4.5Å; G558-T582 WeakPolarHBondContact O-CA 3.44Å; T582-A594 CarbonylContact O-C 3.58Å; T582-A594 WeakPolarHBondContact O-CA 3.4Å; T582-L595 PolarHBondContact N-O 3.32Å; T582-L595 PolarHBondContact O-N 3.46Å
583W96.1Very high92.4Very high5 Ų530.1 Ų30.12%0.01918%0.181CC..EExtended strand (participates in β ladder)trans-138.1150.7-176.161.789.2000113.4I548 M551 M552 E556 G558 Y581 L593 A594I548-W583 HydrophobicContact CB-CH2 4.47Å; I548-W583 HydrophobicContact CB-CZ3 4.43Å; I548-W583 HydrophobicContact CD1-CZ3 4.32Å; I548-W583 HydrophobicContact CG1-CH2 3.89Å; I548-W583 HydrophobicContact CG1-CZ3 3.92Å; I548-W583 HydrophobicContact CG2-CD2 4.27Å; I548-W583 HydrophobicContact CG2-CE3 3.82Å; I548-W583 HydrophobicContact CG2-CH2 4.19Å; I548-W583 HydrophobicContact CG2-CZ3 3.78Å; M551-W583 HydrophobicContact CB-CZ2 4.26Å; M551-W583 HydrophobicContact SD-CZ2 3.88Å; M552-W583 HydrophobicContact CE-CB 3.96Å; M552-W583 HydrophobicContact CG-CB 3.72Å; M552-W583 VanDerWaalsContact CG-CD1 3.41Å; M552-W583 HydrophobicContact CG-CD2 4Å; M552-W583 HydrophobicContact CG-CG 3.42Å; M552-W583 VanDerWaalsContact CG-CG 3.42Å; M552-W583 HydrophobicContact SD-CB 3.85Å; M552-W583 HydrophobicContact SD-CG 4.06Å; E556-W583 PolarHBondContact O-NE1 2.77Å; G558-W583 PolarHBondContact N-O 2.97Å; G558-W583 PolarHBondContact O-N 3Å; Y581-W583 WeakPolarHBondContact O-CZ3 3.01Å; W583-L593 CarbonylContact C-O 3.52Å; W583-L593 VanDerWaalsContact CA-O 3.28Å; W583-L593 WeakPolarHBondContact CA-O 3.43Å; W583-A594 HydrophobicContact CB-CB 3.76Å
584A95.8Very high92.7Very high13 Ų1330.1 Ų30.111%0.10718%0.181CC..EExtended strand (participates in β ladder)trans-150.7149.7174.500000111.3V53 I557 S592 L593V53-A584 HydrophobicContact CG1-CB 3.77Å; I557-A584 HydrophobicContact CG1-CB 4.22Å; A584-S592 PolarHBondContact O-OG 3.43Å; A584-L593 PolarHBondContact N-O 3.14Å; A584-L593 PolarHBondContact O-N 3.24Å; A584-L593 VanDerWaalsContact O-O 3.08Å
585P95.7Very high92.8Very high33 Ų3330 Ų3021%0.21418%0.18CC..EExtended strand (participates in β ladder)trans-72.2148177.331.1-35000111.7I557 N587I557-P585 HydrophobicContact CG1-CG 4.39Å; P585-N587 PolarHBondContact O-N 3.26Å
586V94.8Very high93.1Very high3 Ų329.6 Ų29.62%0.01818%0.178CC..  trans-88.298.4170.8-177.80000108.3A57 I60 E61 G588 T589 Y591 L593A57-V586 HydrophobicContact CB-CG2 4.11Å; I60-V586 HydrophobicContact CB-CG1 4.36Å; I60-V586 HydrophobicContact CG2-CG1 4.12Å; E61-V586 HydrophobicContact CB-CG1 4.03Å; V586-G588 PolarHBondContact O-N 3.22Å; V586-T589 WeakPolarHBondContact CB-OG1 3.29Å; V586-T589 WeakPolarHBondContact CG1-OG1 3.07Å; V586-T589 PolarHBondContact O-N 2.96Å; V586-T589 VanDerWaalsContact O-N 3.14Å; V586-T589 VanDerWaalsContact O-O 3.05Å; V586-T589 PolarHBondContact O-OG1 2.01Å; V586-Y591 WeakPolarHBondContact CB-O 3.37Å; V586-Y591 PolarHBondContact N-O 2.89Å; V586-L593 HydrophobicContact CG2-CB 4.1Å
587N90.5Very high93.3Very high103 Ų10325.1 Ų25.155%0.55116%0.162SC*.THydrogen-bonded Turntrans-53.6138.7-178.8-68.1-31.1000111.9E61 P585 T589E61-N587 WeakPolarHBondContact CB-O 3.42Å; E61-N587 VanDerWaalsContact CD-O 3.24Å; E61-N587 WeakPolarHBondContact CG-O 3.2Å; P585-N587 PolarHBondContact O-N 3.26Å; N587-T589 VanDerWaalsContact C-N 3.31Å
588G83.6Confident93.4Very high82 Ų8224.9 Ų24.985%0.84516%0.159SC*.THydrogen-bonded Turntrans84.40.5-177.800000114.7V586V586-G588 PolarHBondContact O-N 3.22Å
589T88.2Confident93.2Very high28 Ų2828.6 Ų28.617%0.17217%0.169CC..SBendtrans-140.8171.8171.656.40000110.4L64 V586 N587 Y591L64-T589 HydrophobicContact CB-CG2 4.33Å; L64-T589 HydrophobicContact CD1-CG2 3.66Å; V586-T589 WeakPolarHBondContact CB-OG1 3.29Å; V586-T589 WeakPolarHBondContact CG1-OG1 3.07Å; V586-T589 PolarHBondContact O-N 2.96Å; V586-T589 VanDerWaalsContact O-N 3.14Å; V586-T589 VanDerWaalsContact O-O 3.05Å; V586-T589 PolarHBondContact O-OG1 2.01Å; N587-T589 VanDerWaalsContact C-N 3.31Å; T589-Y591 VanDerWaalsContact C-N 3.3Å; T589-Y591 HydrophobicContact CG2-CD2 4.33Å
590D88.7Confident92.9Very high122 Ų12230.4 Ų30.465%0.65218%0.176SC*.SBendtrans-89.55.4176.7-56-39.1000113P490P490-D590 HydrophobicContact CG-CB 3.9Å
591Y93.3Very high92.6Very high12 Ų1230 Ų305%0.04718%0.175CC..  trans-81144.6-178.9-59.7-54.1000112L64 W418 I432 I488 D489 L495 V586 T589L64-Y591 HydrophobicContact CD1-CD2 4.06Å; L64-Y591 HydrophobicContact CD1-CE2 4.1Å; W418-Y591 HydrophobicContact CB-CE2 4.07Å; W418-Y591 WeakPolarHBondContact CB-OH 3.43Å; W418-Y591 HydrophobicContact CG-CE2 4.1Å; I432-Y591 HydrophobicContact CD1-CE2 4.44Å; I488-Y591 WeakPolarHBondContact O-CA 3.23Å; D489-Y591 WeakPolarHBondContact OD1-CD1 3.48Å; D489-Y591 WeakPolarHBondContact OD1-CE1 2.96Å; L495-Y591 HydrophobicContact CD2-CD1 4.16Å; L495-Y591 HydrophobicContact CD2-CD2 4.26Å; L495-Y591 HydrophobicContact CD2-CE1 4.15Å; L495-Y591 HydrophobicContact CD2-CE2 4.22Å; L495-Y591 HydrophobicContact CD2-CG 4.21Å; V586-Y591 WeakPolarHBondContact CB-O 3.37Å; V586-Y591 PolarHBondContact N-O 2.89Å; T589-Y591 VanDerWaalsContact C-N 3.3Å; T589-Y591 HydrophobicContact CG2-CD2 4.33Å
592S95.4Very high92.3Very high3 Ų333.5 Ų33.52%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-116.2133.3167.6-173.90000110.3A487 I488 M552 A584A487-S592 CarbonylContact C-O 3.51Å; A487-S592 VanDerWaalsContact CA-O 3.31Å; A487-S592 WeakPolarHBondContact CA-O 3.45Å; I488-S592 PolarHBondContact N-O 3.45Å; I488-S592 PolarHBondContact O-N 2.82Å; M552-S592 WeakPolarHBondContact O-CB 3.23Å; A584-S592 PolarHBondContact O-OG 3.43Å
593L96.1Very high92Very high0 Ų034.5 Ų34.50%020%0.196CC..EExtended strand (participates in β ladder)trans-103.8139.7178.3-174.277.4000109.6V53 A56 A57 I60 Y485 A487 W583 A584 V586V53-L593 HydrophobicContact CG1-CD2 4.32Å; A56-L593 HydrophobicContact CB-CD2 3.48Å; A56-L593 VanDerWaalsContact CB-CD2 3.48Å; A57-L593 HydrophobicContact CB-CD2 4.36Å; I60-L593 HydrophobicContact CD1-CD1 4.14Å; I60-L593 HydrophobicContact CD1-CD2 4.39Å; Y485-L593 HydrophobicContact CD1-CD2 4.22Å; Y485-L593 HydrophobicContact CD1-CG 4.42Å; A487-L593 HydrophobicContact CB-CD1 4Å; W583-L593 CarbonylContact C-O 3.52Å; W583-L593 VanDerWaalsContact CA-O 3.28Å; W583-L593 WeakPolarHBondContact CA-O 3.43Å; A584-L593 PolarHBondContact N-O 3.14Å; A584-L593 PolarHBondContact O-N 3.24Å; A584-L593 VanDerWaalsContact O-O 3.08Å; V586-L593 HydrophobicContact CG2-CB 4.1Å
594A95.6Very high91.8Very high0 Ų035.5 Ų35.50%020%0.2CC..EExtended strand (participates in β ladder)trans-131.6158.4172.800000111.9Y485 F486 M552 T582 W583Y485-A594 CarbonylContact C-O 3.54Å; Y485-A594 VanDerWaalsContact CA-O 3.26Å; Y485-A594 WeakPolarHBondContact CA-O 3.31Å; F486-A594 HydrophobicContact CD1-CB 3.8Å; F486-A594 HydrophobicContact CD2-CB 4.16Å; F486-A594 HydrophobicContact CE1-CB 3.29Å; F486-A594 HydrophobicContact CE2-CB 3.69Å; F486-A594 HydrophobicContact CG-CB 4.21Å; F486-A594 HydrophobicContact CZ-CB 3.24Å; F486-A594 PolarHBondContact N-O 3Å; F486-A594 PolarHBondContact O-N 2.79Å; M552-A594 HydrophobicContact CE-CB 3.47Å; M552-A594 VanDerWaalsContact CE-CB 3.47Å; M552-A594 HydrophobicContact SD-CB 3.97Å; T582-A594 CarbonylContact O-C 3.58Å; T582-A594 WeakPolarHBondContact O-CA 3.4Å; W583-A594 HydrophobicContact CB-CB 3.76Å
595L95.7Very high91.5Very high0 Ų035.2 Ų35.20%020%0.197CC..EExtended strand (participates in β ladder)trans-128.3131.2174174.861000108.5A49 L52 V53 I479 Y484 Y485 T582 L597A49-L595 HydrophobicContact CB-CD2 4.18Å; L52-L595 HydrophobicContact CB-CD2 4.08Å; L52-L595 HydrophobicContact CD1-CD2 4.18Å; V53-L595 HydrophobicContact CG2-CB 3.31Å; V53-L595 HydrophobicContact CG2-CD2 4.17Å; V53-L595 HydrophobicContact CG2-CG 4.38Å; I479-L595 HydrophobicContact CD1-CD1 3.73Å; I479-L595 HydrophobicContact CG2-CD1 4.46Å; Y484-L595 WeakPolarHBondContact O-CD1 3.12Å; Y485-L595 HydrophobicContact CD1-CB 3.99Å; Y485-L595 HydrophobicContact CD1-CD1 3.98Å; Y485-L595 HydrophobicContact CD1-CG 4.46Å; Y485-L595 HydrophobicContact CD2-CD1 4.05Å; Y485-L595 HydrophobicContact CE1-CB 3.93Å; Y485-L595 HydrophobicContact CE1-CD1 3.84Å; Y485-L595 HydrophobicContact CE1-CD2 4.05Å; Y485-L595 HydrophobicContact CE1-CG 4.15Å; Y485-L595 HydrophobicContact CE2-CD1 3.91Å; Y485-L595 HydrophobicContact CG-CD1 4.09Å; T582-L595 PolarHBondContact N-O 3.32Å; T582-L595 PolarHBondContact O-N 3.46Å; L595-L597 HydrophobicContact CD1-CD2 4.05Å; L595-L597 HydrophobicContact CD1-CG 4.35Å; L595-L597 HydrophobicContact CD2-CD1 4.05Å; L595-L597 HydrophobicContact CD2-CD2 4.34Å; L595-L597 HydrophobicContact CD2-CG 4.11Å; L595-L597 HydrophobicContact CG-CD1 4.44Å; L595-L597 HydrophobicContact CG-CD2 4.2Å; L595-L597 HydrophobicContact CG-CG 3.97Å
596V94.9Very high91.2Very high0 Ų036.2 Ų36.20%020%0.199CC..EExtended strand (participates in β ladder)trans-104.2126.1172.5-1730000108G483 Y484 F486 R579 T580 Y581G483-V596 CarbonylContact C-O 3.58Å; G483-V596 WeakPolarHBondContact CA-O 3.2Å; Y484-V596 HydrophobicContact CD1-CB 4.16Å; Y484-V596 HydrophobicContact CD2-CG2 4.33Å; Y484-V596 HydrophobicContact CE1-CB 3.78Å; Y484-V596 HydrophobicContact CE1-CG1 3.99Å; Y484-V596 HydrophobicContact CE1-CG2 4.09Å; Y484-V596 HydrophobicContact CE2-CB 4.25Å; Y484-V596 HydrophobicContact CE2-CG2 3.73Å; Y484-V596 PolarHBondContact N-O 3.21Å; Y484-V596 VanDerWaalsContact N-O 3.1Å; Y484-V596 PolarHBondContact O-N 3.22Å; F486-V596 HydrophobicContact CD1-CG2 3.79Å; F486-V596 HydrophobicContact CE1-CG2 3.51Å; R579-V596 HydrophobicContact CB-CG1 3.92Å; R579-V596 HydrophobicContact CG-CG1 4.3Å; T580-V596 WeakPolarHBondContact O-CA 3.25Å; Y581-V596 HydrophobicContact CD1-CG2 3.58Å; Y581-V596 HydrophobicContact CD2-CG1 4.43Å; Y581-V596 HydrophobicContact CE1-CG1 4.38Å; Y581-V596 HydrophobicContact CE1-CG2 3.39Å; Y581-V596 HydrophobicContact CE2-CG1 4.08Å; Y581-V596 HydrophobicContact CE2-CG2 4.49Å; Y581-V596 HydrophobicContact CG-CG2 4.21Å
597L93.9Very high90.8Very high7 Ų736.5 Ų36.54%0.03720%0.201CC..EExtended strand (participates in β ladder)trans-128.3135.1172.8-64.5179000111.1A49 I479 T580 L595A49-L597 HydrophobicContact CB-CD1 3.87Å; I479-L597 HydrophobicContact CB-CD2 3.57Å; I479-L597 HydrophobicContact CG2-CD2 3.75Å; T580-L597 PolarHBondContact N-O 3.17Å; T580-L597 PolarHBondContact O-N 3.39Å; L595-L597 HydrophobicContact CD1-CD2 4.05Å; L595-L597 HydrophobicContact CD1-CG 4.35Å; L595-L597 HydrophobicContact CD2-CD1 4.05Å; L595-L597 HydrophobicContact CD2-CD2 4.34Å; L595-L597 HydrophobicContact CD2-CG 4.11Å; L595-L597 HydrophobicContact CG-CD1 4.44Å; L595-L597 HydrophobicContact CG-CD2 4.2Å; L595-L597 HydrophobicContact CG-CG 3.97Å
598P92.3Very high90.5Very high2 Ų238.3 Ų38.31%0.01320%0.204CC..EExtended strand (participates in β ladder)trans-73.2152.2159.431.7-36.2000111.1N482 Y600 S601N482-P598 HydrophobicContact CB-CG 3.94Å; P598-Y600 HydrophobicContact CB-CD1 4.01Å; P598-Y600 HydrophobicContact CB-CE1 3.52Å; P598-Y600 HydrophobicContact CB-CE2 4.24Å; P598-Y600 HydrophobicContact CG-CD2 4.33Å; P598-Y600 HydrophobicContact CG-CE1 3.95Å; P598-Y600 HydrophobicContact CG-CE2 3.74Å; P598-Y600 PolarHBondContact O-N 2.87Å; P598-Y600 VanDerWaalsContact O-N 3.08Å; P598-S601 WeakPolarHBondContact CD-OG 3.36Å; P598-S601 WeakPolarHBondContact CG-OG 3.22Å; P598-S601 PolarHBondContact O-N 2.78Å; P598-S601 PolarHBondContact O-OG 2.68Å; P598-S601 VanDerWaalsContact O-OG 3.14Å
599K87.6Confident90Very high154 Ų15434.8 Ų34.867%0.6717%0.166SC*.G310 helixtrans-54.9-32.1-177.3-171.7173.9-177174.90114.7S601 E602K599-S601 VanDerWaalsContact C-N 3.32Å; K599-S601 PolarHBondContact O-N 3.11Å; K599-E602 WeakPolarHBondContact O-CG 3.22Å
600Y85.9Confident89.1Confident43 Ų4335.6 Ų35.617%0.16918%0.179CC..G310 helixtrans-80.6-8.5-179.360.5-102.5000113.8N482 P598 L740 D741 K779N482-Y600 WeakPolarHBondContact CB-OH 3.02Å; N482-Y600 PolarHBondContact ND2-OH 3.06Å; P598-Y600 HydrophobicContact CB-CD1 4.01Å; P598-Y600 HydrophobicContact CB-CE1 3.52Å; P598-Y600 HydrophobicContact CB-CE2 4.24Å; P598-Y600 HydrophobicContact CG-CD2 4.33Å; P598-Y600 HydrophobicContact CG-CE1 3.95Å; P598-Y600 HydrophobicContact CG-CE2 3.74Å; P598-Y600 PolarHBondContact O-N 2.87Å; P598-Y600 VanDerWaalsContact O-N 3.08Å; Y600-L740 HydrophobicContact CE2-CB 4.24Å; Y600-L740 WeakPolarHBondContact OH-CB 3.28Å; Y600-D741 PolarHBondContact OH-OD1 3.04Å; Y600-D741 VanDerWaalsContact OH-OD1 3.12Å; Y600-K779 HydrophobicContact CD1-CD 4.47Å; Y600-K779 HydrophobicContact CD2-CB 4.49Å; Y600-K779 HydrophobicContact CD2-CD 4.28Å; Y600-K779 HydrophobicContact CD2-CG 4.5Å; Y600-K779 HydrophobicContact CG-CD 4.2Å
601S89.6Confident87.9Confident9 Ų934.7 Ų34.76%0.06318%0.175CC..G310 helixtrans-104.29.2178.277.30000114.1N47 I479 P598 K599 N603N47-S601 PolarHBondContact ND2-O 3.42Å; I479-S601 WeakPolarHBondContact O-CB 3.47Å; I479-S601 PolarHBondContact O-OG 3.23Å; P598-S601 WeakPolarHBondContact CD-OG 3.36Å; P598-S601 WeakPolarHBondContact CG-OG 3.22Å; P598-S601 PolarHBondContact O-N 2.78Å; P598-S601 PolarHBondContact O-OG 2.68Å; P598-S601 VanDerWaalsContact O-OG 3.14Å; K599-S601 VanDerWaalsContact C-N 3.32Å; K599-S601 PolarHBondContact O-N 3.11Å; S601-N603 PolarHBondContact O-N 3.25Å; S601-N603 VanDerWaalsContact O-N 3.11Å
602E88.2Confident86.4Confident75 Ų7540.7 Ų40.735%0.3521%0.208SC..SBendtrans-58.6-17.1166.9-69.1175.1-165.100112.3Q46 N47 K599Q46-E602 CarbonylContact C-O 3.53Å; Q46-E602 WeakPolarHBondContact CA-O 3.04Å; Q46-E602 WeakPolarHBondContact CG-O 3.39Å; N47-E602 PolarHBondContact N-O 2.76Å; K599-E602 WeakPolarHBondContact O-CG 3.22Å
603N90.6Very high85Confident30 Ų3044.4 Ų44.416%0.1623%0.227CC..EExtended strand (participates in β ladder)trans-132149.1178-58.1-77.8000110.5V44 E45 S601 V776 L778V44-N603 HydrophobicContact CG1-CB 4.03Å; E45-N603 CarbonylContact O-C 3.56Å; E45-N603 VanDerWaalsContact O-CA 3.27Å; E45-N603 WeakPolarHBondContact O-CA 2.94Å; S601-N603 PolarHBondContact O-N 3.25Å; S601-N603 VanDerWaalsContact O-N 3.11Å; N603-V776 HydrophobicContact CB-CG1 3.73Å; N603-V776 VanDerWaalsContact CG-CG1 3.5Å; N603-V776 WeakPolarHBondContact ND2-CG1 3.3Å; N603-L778 HydrophobicContact CB-CD2 3.69Å; N603-L778 WeakPolarHBondContact O-CD2 3.21Å
604F90.9Very high83.3Confident26 Ų2645.5 Ų45.511%0.11423%0.231CC..EExtended strand (participates in β ladder)trans-139.1165.1179.673.7-81.6000111.9V44 E45 N47 T478 Q606V44-F604 WeakPolarHBondContact CA-O 3.28Å; E45-F604 HydrophobicContact CB-CD1 4.21Å; E45-F604 HydrophobicContact CB-CE1 3.58Å; E45-F604 HydrophobicContact CB-CE2 4.24Å; E45-F604 HydrophobicContact CB-CZ 3.6Å; E45-F604 HydrophobicContact CG-CZ 4.44Å; E45-F604 PolarHBondContact N-O 3.05Å; E45-F604 PolarHBondContact O-N 3.04Å; E45-F604 WeakPolarHBondContact OE2-CZ 3.08Å; N47-F604 WeakPolarHBondContact OD1-CD1 3.15Å; N47-F604 WeakPolarHBondContact OD1-CE1 3.44Å; T478-F604 HydrophobicContact CG2-CD2 4.21Å; T478-F604 HydrophobicContact CG2-CE2 3.91Å; T478-F604 HydrophobicContact CG2-CZ 4.11Å; T478-F604 VanDerWaalsContact O-CB 3.26Å; T478-F604 WeakPolarHBondContact O-CB 3.3Å; F604-Q606 HydrophobicContact CE2-CB 4.19Å
605I89.7Confident81.5Confident7 Ų748.8 Ų48.84%0.03625%0.247CC..EExtended strand (participates in β ladder)trans-98.2120.1-178.4-62.5176.9000109.6F35 Y42 L681 L778 P780F35-I605 HydrophobicContact CE1-CD1 4.37Å; Y42-I605 HydrophobicContact CD2-CG2 3.6Å; Y42-I605 HydrophobicContact CE2-CD1 4.5Å; Y42-I605 HydrophobicContact CE2-CG2 4.44Å; Y42-I605 HydrophobicContact CG-CG2 3.72Å; I605-L681 HydrophobicContact CG2-CD2 4.38Å; I605-L778 HydrophobicContact CD1-CD1 4.39Å; I605-L778 HydrophobicContact CG1-CD1 4.05Å; I605-P780 HydrophobicContact CD1-CB 3.84Å
606Q89Confident79.8Confident55 Ų5551.2 Ų51.226%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-101.5124.2172.8-174.468.1200110.2Y42 T43 E45 F604Y42-Q606 CarbonylContact C-O 3.56Å; Y42-Q606 VanDerWaalsContact CA-O 3.32Å; Y42-Q606 WeakPolarHBondContact CA-O 3.41Å; Y42-Q606 WeakPolarHBondContact CB-O 3.43Å; T43-Q606 PolarHBondContact N-O 3.43Å; T43-Q606 PolarHBondContact O-N 3.43Å; E45-Q606 HydrophobicContact CG-CB 4.15Å; F604-Q606 HydrophobicContact CE2-CB 4.19Å
607A86.6Confident78.5Confident8 Ų852.5 Ų52.57%0.06627%0.273CS..EExtended strand (participates in β ladder)trans-81.1132.9-175.500000112.8L609 K677 L681A607-L609 HydrophobicContact CB-CD1 3.91Å; A607-K677 HydrophobicContact CB-CB 3.93Å; A607-L681 HydrophobicContact CB-CB 4.31Å; A607-L681 HydrophobicContact CB-CD2 3.93Å
608K84Confident76.9Confident141 Ų14152.4 Ų52.461%0.61327%0.273SS*.  trans-113.276.7174.3-87-172.4179.4170.40110.4L41 T43L41-K608 CarbonylContact O-C 3.54Å; L41-K608 PolarHBondContact O-N 3.25Å; T43-K608 HydrophobicContact CG2-CD 3.91Å
609L74.3Confident75.5Confident9 Ų957 Ų575%0.04730%0.295CS..  trans-106.5130.3173.3-64.4122.4000111.2A607 I613 K614 I617 K677 L681A607-L609 HydrophobicContact CB-CD1 3.91Å; L609-I613 HydrophobicContact CD2-CB 4.43Å; L609-I613 HydrophobicContact CD2-CG2 3.76Å; L609-K614 HydrophobicContact CB-CD 4.5Å; L609-K614 HydrophobicContact CB-CG 3.62Å; L609-K614 WeakPolarHBondContact O-CE 3.48Å; L609-I617 HydrophobicContact CD2-CD1 3.98Å; L609-K677 HydrophobicContact CD1-CB 4.24Å; L609-K677 WeakPolarHBondContact CD1-O 3.24Å; L609-L681 HydrophobicContact CD1-CB 3.96Å
610G68.9Low74.4Confident44 Ų4455 Ų5545%0.45429%0.288SS..  trans-76.5156.4162.700000111.3D612 I613 K614G610-D612 VanDerWaalsContact C-N 3.33Å; G610-D612 PolarHBondContact O-N 2.77Å; G610-I613 PolarHBondContact O-N 3.12Å; G610-I613 VanDerWaalsContact O-N 3.15Å; G610-K614 WeakPolarHBondContact O-CG 3.42Å; G610-K614 PolarHBondContact O-N 2.85Å; G610-K614 VanDerWaalsContact O-N 3.16Å
611D64Low73.8Confident104 Ų10453.4 Ų53.456%0.55628%0.283SS*.Hα-helixtrans-59.9-36.7-169.7-63.7-36.4000114.1I613 K614 Q615D611-I613 PolarHBondContact O-N 2.97Å; D611-K614 WeakPolarHBondContact O-CB 3.21Å; D611-K614 PolarHBondContact O-N 2.77Å; D611-K614 WeakPolarHBondContact OD1-CE 3.18Å; D611-K614 IonicContact OD1-NZ 2.74Å; D611-K614 PolarHBondContact OD1-NZ 3.23Å; D611-Q615 PolarHBondContact O-N 2.96Å
612D61.8Low73.1Confident137 Ų13753 Ų5373%0.73328%0.28SS*.Hα-helixtrans-63.9-38.7177.8-59.5-33.2000112.8G610 A616G610-D612 VanDerWaalsContact C-N 3.33Å; G610-D612 PolarHBondContact O-N 2.77Å; D612-A616 PolarHBondContact O-N 3Å
613I65.1Low72.7Confident82 Ų8252.7 Ų52.742%0.42128%0.279SS..Hα-helixtrans-74.5-34.6-179.8-58.1174000110L609 G610 D611 I617L609-I613 HydrophobicContact CD2-CB 4.43Å; L609-I613 HydrophobicContact CD2-CG2 3.76Å; G610-I613 PolarHBondContact O-N 3.12Å; G610-I613 VanDerWaalsContact O-N 3.15Å; D611-I613 PolarHBondContact O-N 2.97Å; I613-I617 HydrophobicContact CG2-CD1 3.74Å; I613-I617 HydrophobicContact CG2-CG1 4.39Å; I613-I617 WeakPolarHBondContact O-CG1 3.28Å; I613-I617 PolarHBondContact O-N 3.37Å; I613-I617 VanDerWaalsContact O-N 3.15Å
614K60.4Low72.1Confident22 Ų2253.4 Ų53.410%0.09628%0.282CS..Hα-helixtrans-59.8-48.5175.5-64.8176.6-161.9167.30111.1L609 G610 D611 I617 S618 E673 K677 I680L609-K614 HydrophobicContact CB-CD 4.5Å; L609-K614 HydrophobicContact CB-CG 3.62Å; L609-K614 WeakPolarHBondContact O-CE 3.48Å; G610-K614 WeakPolarHBondContact O-CG 3.42Å; G610-K614 PolarHBondContact O-N 2.85Å; G610-K614 VanDerWaalsContact O-N 3.16Å; D611-K614 WeakPolarHBondContact O-CB 3.21Å; D611-K614 PolarHBondContact O-N 2.77Å; D611-K614 WeakPolarHBondContact OD1-CE 3.18Å; D611-K614 IonicContact OD1-NZ 2.74Å; D611-K614 PolarHBondContact OD1-NZ 3.23Å; K614-I617 PolarHBondContact O-N 3.23Å; K614-S618 WeakPolarHBondContact O-CB 3.45Å; K614-S618 PolarHBondContact O-N 3.44Å; K614-S618 PolarHBondContact O-OG 2.96Å; K614-E673 IonicContact NZ-OE1 3.36Å; K614-E673 PolarHBondContact NZ-OE1 3.43Å; K614-K677 HydrophobicContact CD-CG 4.3Å; K614-I680 HydrophobicContact CB-CD1 4.19Å
615Q58.5Low71.6Confident70 Ų7059 Ų5933%0.32731%0.313SS..Hα-helixtrans-66.1-42.8-179.4-73.2-168-44.200112.8D611 I617 S618 M619 T665D611-Q615 PolarHBondContact O-N 2.96Å; Q615-I617 VanDerWaalsContact C-N 3.32Å; Q615-I617 PolarHBondContact O-N 3.3Å; Q615-S618 PolarHBondContact O-N 3.25Å; Q615-S618 PolarHBondContact O-OG 3Å; Q615-S618 VanDerWaalsContact O-OG 3.1Å; Q615-M619 WeakPolarHBondContact O-CB 3.49Å; Q615-M619 WeakPolarHBondContact O-CG 3.46Å; Q615-M619 PolarHBondContact O-N 3.47Å; Q615-T665 HydrophobicContact CG-CG2 4.42Å
616A60.2Low71.3Confident50 Ų5062.3 Ų62.341%0.41333%0.326SS..Hα-helixtrans-58.8-46.5178.900000111D612 E620D612-A616 PolarHBondContact O-N 3Å; A616-E620 WeakPolarHBondContact O-CB 3.23Å; A616-E620 VanDerWaalsContact O-CG 3.23Å; A616-E620 WeakPolarHBondContact O-CG 3.47Å; A616-E620 PolarHBondContact O-N 2.72Å; A616-E620 VanDerWaalsContact O-N 3.08Å
617I66.4Low71.1Confident28 Ų2859.9 Ų59.914%0.14431%0.314CS..Hα-helixtrans-69.8-40.5-178.8-64.3171.5000111.7L609 I613 K614 Q615 E620 T621 I680L609-I617 HydrophobicContact CD2-CD1 3.98Å; I613-I617 HydrophobicContact CG2-CD1 3.74Å; I613-I617 HydrophobicContact CG2-CG1 4.39Å; I613-I617 WeakPolarHBondContact O-CG1 3.28Å; I613-I617 PolarHBondContact O-N 3.37Å; I613-I617 VanDerWaalsContact O-N 3.15Å; K614-I617 PolarHBondContact O-N 3.23Å; Q615-I617 VanDerWaalsContact C-N 3.32Å; Q615-I617 PolarHBondContact O-N 3.3Å; I617-E620 PolarHBondContact O-N 3.01Å; I617-T621 HydrophobicContact CG2-CG2 4.48Å; I617-T621 WeakPolarHBondContact O-CB 3.43Å; I617-T621 WeakPolarHBondContact O-CG2 3.16Å; I617-T621 PolarHBondContact O-N 3.32Å; I617-T621 PolarHBondContact O-OG1 3.05Å; I617-I680 HydrophobicContact CB-CG2 3.95Å; I617-I680 HydrophobicContact CG2-CG2 3.89Å; I617-I680 WeakPolarHBondContact CG2-O 3.33Å
618S61.8Low70.9Confident4 Ų464.7 Ų64.73%0.02834%0.339CS..Hα-helixtrans-68.6-47.4-178.7650000112.3K614 Q615 E620 T621 I622K614-S618 WeakPolarHBondContact O-CB 3.45Å; K614-S618 PolarHBondContact O-N 3.44Å; K614-S618 PolarHBondContact O-OG 2.96Å; Q615-S618 PolarHBondContact O-N 3.25Å; Q615-S618 PolarHBondContact O-OG 3Å; Q615-S618 VanDerWaalsContact O-OG 3.1Å; S618-E620 PolarHBondContact O-N 3.41Å; S618-T621 PolarHBondContact O-N 3.31Å; S618-I622 PolarHBondContact O-N 2.82Å
619M61.2Low70.8Confident99 Ų9962.6 Ų62.649%0.48833%0.331SS..Hα-helixtrans-63.2-28.2175.2-70.6-178.97500111.5Q615 R626Q615-M619 WeakPolarHBondContact O-CB 3.49Å; Q615-M619 WeakPolarHBondContact O-CG 3.46Å; Q615-M619 PolarHBondContact O-N 3.47Å; M619-R626 PolarHBondContact O-NH2 3.37Å
620E66.1Low71.3Confident112 Ų11263.2 Ų63.252%0.52333%0.334SS..Hα-helixtrans-80.4-37.6-179.9-75.6-171.8177.100115.1A616 I617 S618 R626A616-E620 WeakPolarHBondContact O-CB 3.23Å; A616-E620 VanDerWaalsContact O-CG 3.23Å; A616-E620 WeakPolarHBondContact O-CG 3.47Å; A616-E620 PolarHBondContact O-N 2.72Å; A616-E620 VanDerWaalsContact O-N 3.08Å; I617-E620 PolarHBondContact O-N 3.01Å; S618-E620 PolarHBondContact O-N 3.41Å; E620-R626 VanDerWaalsContact CA-NH2 3.27Å; E620-R626 VanDerWaalsContact O-CZ 3.24Å; E620-R626 PolarHBondContact O-NE 3.24Å; E620-R626 PolarHBondContact O-NH2 3.02Å
621T72.9Confident72.1Confident10 Ų1061.2 Ų61.26%0.06131%0.312CS..Hα-helixtrans-119.7-16.3-158.266.10000116.1I617 S618 A687 R714I617-T621 HydrophobicContact CG2-CG2 4.48Å; I617-T621 WeakPolarHBondContact O-CB 3.43Å; I617-T621 WeakPolarHBondContact O-CG2 3.16Å; I617-T621 PolarHBondContact O-N 3.32Å; I617-T621 PolarHBondContact O-OG1 3.05Å; S618-T621 PolarHBondContact O-N 3.31Å; T621-A687 HydrophobicContact CG2-CB 3.65Å; T621-R714 PolarHBondContact O-NH2 2.86Å; T621-R714 VanDerWaalsContact O-NH2 3.14Å
622I75.4Confident73.3Confident0 Ų057.7 Ų57.70%029%0.292CS..SBendtrans-111.60.4-168.6-52.7-179.6000112.6S618 I635 L654 N658 L679 A683S618-I622 PolarHBondContact O-N 2.82Å; I622-I635 HydrophobicContact CG2-CD1 3.93Å; I622-L654 HydrophobicContact CG2-CD1 3.48Å; I622-L654 VanDerWaalsContact CG2-CD1 3.48Å; I622-N658 PolarHBondContact O-ND2 3.16Å; I622-L679 HydrophobicContact CD1-CD2 4.05Å; I622-A683 HydrophobicContact CD1-CB 3.57Å; I622-A683 HydrophobicContact CG1-CB 3.82Å
623Q78.5Confident74.7Confident68 Ų6851.3 Ų51.332%0.31826%0.257SS..  trans-76.5137.8-179.4-66.4-172.3-20.400112.7D625 R626 F627Q623-D625 PolarHBondContact O-N 3.1Å; Q623-R626 PolarHBondContact O-N 3.03Å; Q623-F627 WeakPolarHBondContact O-CD1 3.48Å
624L78.6Confident75.8Confident45 Ų4548.4 Ų48.424%0.23624%0.242CC..G310 helixtrans-55.5-38.7178-71.9168.7000112.8R626 F627 T651 L654 L655L624-R626 PolarHBondContact O-N 2.87Å; L624-R626 VanDerWaalsContact O-N 3.11Å; L624-F627 HydrophobicContact CD2-CD2 4.24Å; L624-F627 HydrophobicContact CD2-CE2 3.53Å; L624-F627 HydrophobicContact CD2-CZ 3.75Å; L624-F627 WeakPolarHBondContact O-CG 3.35Å; L624-F627 PolarHBondContact O-N 3.44Å; L624-T651 HydrophobicContact CD1-CG2 4.28Å; L624-T651 HydrophobicContact CD2-CG2 3.97Å; L624-L654 HydrophobicContact CD2-CD2 3.81Å; L624-L654 HydrophobicContact CG-CD2 4.26Å; L624-L655 HydrophobicContact CD1-CD1 4.18Å; L624-L655 HydrophobicContact CD1-CD2 3.46Å; L624-L655 VanDerWaalsContact CD1-CD2 3.46Å; L624-L655 HydrophobicContact CD1-CG 3.76Å
625D80.7Confident77.2Confident143 Ų14347.4 Ų47.477%0.76524%0.237SC*.G310 helixtrans-65.4-16.4-178-62.1-25.9000113Q623Q623-D625 PolarHBondContact O-N 3.1Å
626R82.5Confident78.6Confident78 Ų7844 Ų4429%0.29422%0.221SC..G310 helixtrans-106.410.1-176.5-64.6-131.6-91.4-159.2-22.5114.1M619 E620 Q623 L624 D628 E629 F630M619-R626 PolarHBondContact O-NH2 3.37Å; E620-R626 VanDerWaalsContact CA-NH2 3.27Å; E620-R626 VanDerWaalsContact O-CZ 3.24Å; E620-R626 PolarHBondContact O-NE 3.24Å; E620-R626 PolarHBondContact O-NH2 3.02Å; Q623-R626 PolarHBondContact O-N 3.03Å; L624-R626 PolarHBondContact O-N 2.87Å; L624-R626 VanDerWaalsContact O-N 3.11Å; R626-D628 PolarHBondContact O-N 3.21Å; R626-E629 PolarHBondContact O-N 3.31Å; R626-F630 HydrophobicContact CB-CD2 4.05Å; R626-F630 HydrophobicContact CB-CE2 4.46Å; R626-F630 PolarHBondContact O-N 3.14Å
627F84.3Confident79.9Confident4 Ų443.6 Ų43.62%0.01821%0.214CC..Hα-helixtrans-64.9-23.7176.7-74.75.1000113.2Q623 L624 E629 G631 Y632 L654Q623-F627 WeakPolarHBondContact O-CD1 3.48Å; L624-F627 HydrophobicContact CD2-CD2 4.24Å; L624-F627 HydrophobicContact CD2-CE2 3.53Å; L624-F627 HydrophobicContact CD2-CZ 3.75Å; L624-F627 WeakPolarHBondContact O-CG 3.35Å; L624-F627 PolarHBondContact O-N 3.44Å; F627-E629 VanDerWaalsContact C-N 3.25Å; F627-E629 PolarHBondContact O-N 2.91Å; F627-G631 WeakPolarHBondContact CA-O 3.43Å; F627-G631 CarbonylContact O-C 3.59Å; F627-G631 WeakPolarHBondContact O-CA 3.44Å; F627-G631 PolarHBondContact O-N 3.14Å; F627-Y632 AromaticContact CD2-CD2 3.71Å; F627-Y632 HydrophobicContact CD2-CD2 3.71Å; F627-Y632 HydrophobicContact CD2-CE2 4.1Å; F627-Y632 HydrophobicContact CD2-CG 4.08Å; F627-Y632 HydrophobicContact CE2-CD1 4.37Å; F627-Y632 AromaticContact CE2-CD2 3.95Å; F627-Y632 HydrophobicContact CE2-CD2 3.95Å; F627-Y632 HydrophobicContact CE2-CE1 4.43Å; F627-Y632 HydrophobicContact CE2-CE2 4.04Å; F627-Y632 HydrophobicContact CE2-CG 4.13Å; F627-L654 HydrophobicContact CE1-CD2 4.41Å; F627-L654 HydrophobicContact CE2-CD2 4.44Å; F627-L654 HydrophobicContact CZ-CD2 3.61Å
628D82.4Confident80.8Confident109 Ų10942.9 Ų42.958%0.58321%0.21SC*.Hα-helixtrans-69.1-27.4174.1-61.8-13.5000111.7R626 R718R626-D628 PolarHBondContact O-N 3.21Å; D628-R718 WeakPolarHBondContact OD1-CD 2.96Å; D628-R718 IonicContact OD1-CZ 2.78Å; D628-R718 IonicContact OD1-NE 3.69Å; D628-R718 IonicContact OD1-NH1 3.42Å; D628-R718 PolarHBondContact OD1-NH1 2.7Å; D628-R718 IonicContact OD2-NH1 3.16Å
629E83.8Confident81.7Confident97 Ų9748 Ų4845%0.45323%0.233SC..Hα-helixtrans-91.7-41.4179.2-63-171.4156.100112.7R626 F627R626-E629 PolarHBondContact O-N 3.31Å; F627-E629 VanDerWaalsContact C-N 3.25Å; F627-E629 PolarHBondContact O-N 2.91Å
630F83.1Confident82.5Confident22 Ų2243.4 Ų43.410%0.09621%0.21CC..Hα-helixtrans-110.64.1-171.5-63-72.8000114.5R626 A687 V690R626-F630 HydrophobicContact CB-CD2 4.05Å; R626-F630 HydrophobicContact CB-CE2 4.46Å; R626-F630 PolarHBondContact O-N 3.14Å; F630-A687 HydrophobicContact CD1-CB 3.97Å; F630-A687 HydrophobicContact CE1-CB 4.16Å; F630-V690 WeakPolarHBondContact O-CG2 3.15Å
631G86.1Confident83Confident1 Ų138.6 Ų38.61%0.0119%0.189CC..  trans79.9167.1-175.100000112.9F627 T633 V715F627-G631 WeakPolarHBondContact CA-O 3.43Å; F627-G631 CarbonylContact O-C 3.59Å; F627-G631 WeakPolarHBondContact O-CA 3.44Å; F627-G631 PolarHBondContact O-N 3.14Å; G631-T633 PolarHBondContact O-N 2.88Å; G631-V715 CarbonylContact C-O 3.59Å; G631-V715 WeakPolarHBondContact CA-O 3.01Å
632Y90.5Very high82.9Confident31 Ų3147.6 Ų47.612%0.12223%0.228CC..EExtended strand (participates in β ladder)trans-71.4122.8178.3-165.1-77.9000109.5F627 Y634 T651 R714 V715 R718 E722F627-Y632 AromaticContact CD2-CD2 3.71Å; F627-Y632 HydrophobicContact CD2-CD2 3.71Å; F627-Y632 HydrophobicContact CD2-CE2 4.1Å; F627-Y632 HydrophobicContact CD2-CG 4.08Å; F627-Y632 HydrophobicContact CE2-CD1 4.37Å; F627-Y632 AromaticContact CE2-CD2 3.95Å; F627-Y632 HydrophobicContact CE2-CD2 3.95Å; F627-Y632 HydrophobicContact CE2-CE1 4.43Å; F627-Y632 HydrophobicContact CE2-CE2 4.04Å; F627-Y632 HydrophobicContact CE2-CG 4.13Å; Y632-Y634 AromaticContact CD1-CD2 3.66Å; Y632-Y634 HydrophobicContact CD1-CD2 3.66Å; Y632-Y634 HydrophobicContact CD1-CE1 4.43Å; Y632-Y634 AromaticContact CD1-CE2 3.26Å; Y632-Y634 HydrophobicContact CD1-CE2 3.26Å; Y632-Y634 HydrophobicContact CD1-CG 4.39Å; Y632-Y634 AromaticContact CD1-CZ 3.68Å; Y632-Y634 HydrophobicContact CE1-CD1 4.21Å; Y632-Y634 AromaticContact CE1-CD2 3.9Å; Y632-Y634 HydrophobicContact CE1-CD2 3.9Å; Y632-Y634 AromaticContact CE1-CE1 3.75Å; Y632-Y634 HydrophobicContact CE1-CE1 3.75Å; Y632-Y634 AromaticContact CE1-CE2 3.43Å; Y632-Y634 HydrophobicContact CE1-CE2 3.43Å; Y632-Y634 VanDerWaalsContact CE1-CE2 3.43Å; Y632-Y634 HydrophobicContact CE1-CG 4.25Å; Y632-Y634 AromaticContact CE1-CZ 3.31Å; Y632-Y634 HydrophobicContact CG-CE2 4.39Å; Y632-T651 PolarHBondContact OH-OG1 3.18Å; Y632-R714 WeakPolarHBondContact O-CA 3.43Å; Y632-V715 PolarHBondContact N-O 2.81Å; Y632-V715 PolarHBondContact O-N 2.65Å; Y632-R718 HydrophobicContact CD2-CG 4.45Å; Y632-E722 HydrophobicContact CD2-CG 4.2Å; Y632-E722 HydrophobicContact CE2-CG 4.1Å
633T89.7Confident82.5Confident2 Ų254.2 Ų54.21%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-107.4119.2-176.1-59.60000110.8G631 I712 R714G631-T633 PolarHBondContact O-N 2.88Å; T633-I712 HydrophobicContact CG2-CG2 4.04Å; T633-R714 HydrophobicContact CG2-CG 4.11Å; T633-R714 PolarHBondContact OG1-NE 3.41Å
634Y89.6Confident82.2Confident22 Ų2251.9 Ų51.99%0.08625%0.249CC..EExtended strand (participates in β ladder)trans-93.1138.7167.6-69.8-93.2000110Y632 N650 I712 T713 V715 G721 W724 P728Y632-Y634 AromaticContact CD1-CD2 3.66Å; Y632-Y634 HydrophobicContact CD1-CD2 3.66Å; Y632-Y634 HydrophobicContact CD1-CE1 4.43Å; Y632-Y634 AromaticContact CD1-CE2 3.26Å; Y632-Y634 HydrophobicContact CD1-CE2 3.26Å; Y632-Y634 HydrophobicContact CD1-CG 4.39Å; Y632-Y634 AromaticContact CD1-CZ 3.68Å; Y632-Y634 HydrophobicContact CE1-CD1 4.21Å; Y632-Y634 AromaticContact CE1-CD2 3.9Å; Y632-Y634 HydrophobicContact CE1-CD2 3.9Å; Y632-Y634 AromaticContact CE1-CE1 3.75Å; Y632-Y634 HydrophobicContact CE1-CE1 3.75Å; Y632-Y634 AromaticContact CE1-CE2 3.43Å; Y632-Y634 HydrophobicContact CE1-CE2 3.43Å; Y632-Y634 VanDerWaalsContact CE1-CE2 3.43Å; Y632-Y634 HydrophobicContact CE1-CG 4.25Å; Y632-Y634 AromaticContact CE1-CZ 3.31Å; Y632-Y634 HydrophobicContact CG-CE2 4.39Å; Y634-N650 WeakPolarHBondContact CA-ND2 3.44Å; Y634-N650 WeakPolarHBondContact CB-ND2 3.36Å; Y634-N650 HydrophobicContact CD1-CB 4.35Å; Y634-N650 VanDerWaalsContact CD1-ND2 3.3Å; Y634-N650 WeakPolarHBondContact CD1-ND2 3.28Å; Y634-I712 WeakPolarHBondContact O-CA 3.47Å; Y634-T713 PolarHBondContact N-O 2.96Å; Y634-T713 PolarHBondContact O-N 2.95Å; Y634-V715 HydrophobicContact CE2-CG2 4.44Å; Y634-G721 PolarHBondContact OH-O 2.81Å; Y634-W724 HydrophobicContact CE2-CB 3.95Å; Y634-W724 AromaticContact CE2-CD1 3.83Å; Y634-W724 HydrophobicContact CE2-CG 4.08Å; Y634-P728 HydrophobicContact CD1-CB 4.03Å
635I89.2Confident81.8Confident0 Ų058 Ų580%027%0.273CS..EExtended strand (participates in β ladder)trans-107.6142.2166.7-66.7-173000109.6I622 Y640 N650 F653 L654 F657 L679 G711I622-I635 HydrophobicContact CG2-CD1 3.93Å; I635-Y640 HydrophobicContact CG2-CE2 4.13Å; I635-N650 PolarHBondContact N-ND2 2.9Å; I635-N650 VanDerWaalsContact O-CG 3.27Å; I635-N650 PolarHBondContact O-ND2 3.44Å; I635-N650 PolarHBondContact O-OD1 2.85Å; I635-F653 HydrophobicContact CG2-CD1 4.19Å; I635-F653 HydrophobicContact CG2-CE1 3.85Å; I635-L654 HydrophobicContact CD1-CD1 3.19Å; I635-L654 HydrophobicContact CG1-CD1 3.76Å; I635-F657 HydrophobicContact CD1-CD1 3.79Å; I635-F657 HydrophobicContact CD1-CE1 4.08Å; I635-L679 HydrophobicContact CD1-CD1 4.41Å; I635-L679 HydrophobicContact CD1-CD2 4.41Å; I635-L679 HydrophobicContact CG2-CD1 3.78Å; I635-G711 CarbonylContact C-O 3.59Å; I635-G711 WeakPolarHBondContact CA-O 3.35Å
636A88.4Confident81.5Confident0 Ų055.6 Ų55.60%026%0.26CS..  trans-74.6128174.300000110.3R638 Y640 G711 E729A636-R638 VanDerWaalsContact C-N 3.28Å; A636-R638 HydrophobicContact CB-CG 4.25Å; A636-R638 PolarHBondContact O-N 3.46Å; A636-Y640 VanDerWaalsContact O-CE2 3.29Å; A636-Y640 WeakPolarHBondContact O-CE2 3.22Å; A636-Y640 PolarHBondContact O-OH 3.1Å; A636-G711 VanDerWaalsContact CB-CA 3.5Å; A636-G711 VanDerWaalsContact CB-O 3.3Å; A636-G711 WeakPolarHBondContact CB-O 3.38Å; A636-G711 PolarHBondContact N-O 2.9Å; A636-E729 WeakPolarHBondContact CB-OE2 3.38Å
637P87Confident81Confident41 Ų4153.2 Ų53.227%0.26626%0.255SS..  trans-74.277.1-177.632.1-36.1000111.5L646 F653P637-L646 VanDerWaalsContact C-CD2 3.48Å; P637-L646 HydrophobicContact CB-CD2 4.09Å; P637-L646 WeakPolarHBondContact O-CD2 3.28Å; P637-F653 HydrophobicContact CB-CE1 4.47Å
638R85.4Confident80.4Confident12 Ų1262.2 Ų62.25%0.04530%0.303CS..  trans-99.8156.6177.6-60.3175.1178-178-0.9111F477 A636 Y640 L675 D709 E729 T730F477-R638 HydrophobicContact CE1-CG 4.03Å; F477-R638 HydrophobicContact CZ-CG 4.43Å; A636-R638 VanDerWaalsContact C-N 3.28Å; A636-R638 HydrophobicContact CB-CG 4.25Å; A636-R638 PolarHBondContact O-N 3.46Å; R638-Y640 HydrophobicContact CB-CD2 4.26Å; R638-Y640 HydrophobicContact CB-CE1 4.47Å; R638-Y640 HydrophobicContact CB-CE2 3.78Å; R638-Y640 WeakPolarHBondContact O-CD2 3.2Å; R638-Y640 WeakPolarHBondContact O-CE2 3.48Å; R638-Y640 PolarHBondContact O-N 3.1Å; R638-L675 HydrophobicContact CB-CD2 4.4Å; R638-D709 PolarHBondContact NH1-O 3.23Å; R638-D709 PolarHBondContact NH2-O 3.19Å; R638-E729 WeakPolarHBondContact CG-OE2 3.42Å; R638-E729 IonicContact CZ-OE1 3.93Å; R638-E729 IonicContact NE-OE1 3.84Å; R638-E729 PolarHBondContact NE-OE1 3.27Å; R638-E729 IonicContact NE-OE2 2.95Å; R638-E729 IonicContact NH2-OE1 2.93Å; R638-E729 PolarHBondContact NH2-OE1 2.81Å; R638-T730 PolarHBondContact NH2-OG1 2.88Å
639E79.6Confident80.4Confident112 Ų11261.4 Ų61.452%0.52330%0.299SS..  trans-73.573.1169.3-68.4-172.5175.200110.2C641 L646E639-C641 VanDerWaalsContact C-N 3.33Å; E639-L646 HydrophobicContact CG-CD1 4.17Å
640Y79.1Confident80.5Confident2 Ų257.7 Ų57.71%0.00828%0.282CS..SBendtrans-62.2-44.3174.7-62.7-85.5000110.6I635 A636 R638 F653 F657 N672 L675 V676 L679I635-Y640 HydrophobicContact CG2-CE2 4.13Å; A636-Y640 VanDerWaalsContact O-CE2 3.29Å; A636-Y640 WeakPolarHBondContact O-CE2 3.22Å; A636-Y640 PolarHBondContact O-OH 3.1Å; R638-Y640 HydrophobicContact CB-CD2 4.26Å; R638-Y640 HydrophobicContact CB-CE1 4.47Å; R638-Y640 HydrophobicContact CB-CE2 3.78Å; R638-Y640 WeakPolarHBondContact O-CD2 3.2Å; R638-Y640 WeakPolarHBondContact O-CE2 3.48Å; R638-Y640 PolarHBondContact O-N 3.1Å; Y640-F653 HydrophobicContact CD2-CE1 4.25Å; Y640-F653 AromaticContact CD2-CZ 3.87Å; Y640-F653 HydrophobicContact CD2-CZ 3.87Å; Y640-F653 AromaticContact CE2-CE1 3.78Å; Y640-F653 HydrophobicContact CE2-CE1 3.78Å; Y640-F653 AromaticContact CE2-CZ 3.8Å; Y640-F653 HydrophobicContact CE2-CZ 3.8Å; Y640-F657 AromaticContact CD1-CE2 3.93Å; Y640-F657 HydrophobicContact CD1-CE2 3.93Å; Y640-F657 HydrophobicContact CD1-CZ 4.49Å; Y640-F657 HydrophobicContact CD2-CD2 4.14Å; Y640-F657 HydrophobicContact CD2-CE2 4.03Å; Y640-F657 HydrophobicContact CE1-CE2 4.42Å; Y640-F657 HydrophobicContact CG-CD2 4.28Å; Y640-F657 AromaticContact CG-CE2 3.77Å; Y640-F657 HydrophobicContact CG-CE2 3.77Å; Y640-N672 PolarHBondContact O-N 3.24Å; Y640-N672 VanDerWaalsContact O-N 3.14Å; Y640-L675 HydrophobicContact CD1-CD2 3.16Å; Y640-L675 HydrophobicContact CE1-CD2 3.06Å; Y640-L675 HydrophobicContact CG-CD2 4.15Å; Y640-V676 HydrophobicContact CD1-CG2 4Å; Y640-V676 HydrophobicContact CG-CG2 4.45Å; Y640-L679 HydrophobicContact CE1-CB 4.24Å; Y640-L679 HydrophobicContact CE1-CD1 3.47Å; Y640-L679 VanDerWaalsContact CE1-CD1 3.47Å; Y640-L679 HydrophobicContact CE1-CG 4.45Å; Y640-L679 VanDerWaalsContact CZ-CD1 3.48Å; Y640-L679 WeakPolarHBondContact OH-CD1 3.34Å
641C76.1Confident80.5Confident11 Ų1158.9 Ų58.97%0.07429%0.291CS..BIsolated β-bridgetrans-149.1155.7-177.4-65.80000110.2E639 E643 Y660 G671E639-C641 VanDerWaalsContact C-N 3.33Å; C641-E643 PolarHBondContact O-N 3.09Å; C641-Y660 HydrophobicContact CB-CE1 4.44Å; C641-Y660 HydrophobicContact CB-CE2 4.18Å; C641-Y660 WeakPolarHBondContact SG-CE1 3Å; C641-Y660 PolarHBondContact SG-OH 3.36Å; C641-G671 VanDerWaalsContact SG-CA 3.53Å
642K70.2Confident80.5Confident200 Ų20063.7 Ų63.787%0.8731%0.313SS*.SBendtrans-67-22.2178.8-67.7-176.2178-1790114.1
643E68.4Low80.3Confident138 Ų13862.2 Ų62.265%0.64531%0.307SS*.SBendtrans-84.2-28.5-175.4-65.7178.1-173.300113.4C641 K645C641-E643 PolarHBondContact O-N 3.09Å; E643-K645 PolarHBondContact O-N 2.91Å
644V71.4Confident80.1Confident19 Ų1962.2 Ų62.212%0.11531%0.307CS..SBendtrans-84.9112.9179-176.60000108.3F653 D656 Y660V644-F653 HydrophobicContact CG1-CD2 4.22Å; V644-F653 HydrophobicContact CG1-CE2 3.72Å; V644-F653 HydrophobicContact CG1-CZ 4.32Å; V644-D656 HydrophobicContact CG1-CB 4.26Å; V644-Y660 HydrophobicContact CG2-CD2 4.2Å; V644-Y660 HydrophobicContact CG2-CG 3.9Å
645K70.9Confident79.9Confident173 Ų17364.8 Ų64.875%0.75232%0.322SS*.  trans-74.2136.5178.3-67.6-175.1178-175.30110.3E643 S647 F653E643-K645 PolarHBondContact O-N 2.91Å; K645-S647 PolarHBondContact O-N 2.83Å; K645-F653 WeakPolarHBondContact O-CD2 3.46Å
646L73.6Confident79.7Confident93 Ų9367.2 Ų67.249%0.48734%0.335SS..  trans-63.5123.4169.2-64.9170.8000108.7P637 E639 F653P637-L646 VanDerWaalsContact C-CD2 3.48Å; P637-L646 HydrophobicContact CB-CD2 4.09Å; P637-L646 WeakPolarHBondContact O-CD2 3.28Å; E639-L646 HydrophobicContact CG-CD1 4.17Å; L646-F653 HydrophobicContact CD2-CE2 4.18Å; L646-F653 HydrophobicContact CD2-CZ 4.46Å
647S72.2Confident79.4Confident28 Ų2867.2 Ų67.220%0.19634%0.335CS..  trans-122.6145175.163.80000110.4K645 N649 F653K645-S647 PolarHBondContact O-N 2.83Å; S647-N649 PolarHBondContact O-N 3.07Å; S647-N649 PolarHBondContact OG-O 3.31Å; S647-F653 WeakPolarHBondContact OG-CA 3.38Å; S647-F653 WeakPolarHBondContact OG-CB 3.01Å; S647-F653 PolarHBondContact OG-N 2.98Å
648L71Confident79.2Confident193 Ų19366.4 Ų66.4100%1.0133%0.328SS*.SBendtrans-69.7-26177.8-71.2163000111.8
649N83.3Confident79Confident93 Ų9370.1 Ų70.150%0.49735%0.346SS..  trans-90.2107.1177.2-174.5-9.4000110.1S647 T651 Q652 F653S647-N649 PolarHBondContact O-N 3.07Å; S647-N649 PolarHBondContact OG-O 3.31Å; N649-T651 VanDerWaalsContact C-N 3.26Å; N649-T651 PolarHBondContact O-N 3.19Å; N649-T651 PolarHBondContact OD1-N 3.33Å; N649-Q652 HydrophobicContact CB-CB 4.28Å; N649-Q652 WeakPolarHBondContact O-CB 3.29Å; N649-Q652 PolarHBondContact O-N 2.51Å; N649-Q652 VanDerWaalsContact O-N 3.09Å; N649-F653 PolarHBondContact O-N 2.76Å; N649-F653 VanDerWaalsContact O-N 3.08Å
650N85.1Confident78.9Confident19 Ų1966.4 Ų66.410%0.10233%0.328CS..Hα-helixtrans-63.6-30.7-173.7-15819.2000113.8Y634 I635 Q652 F653 L654Y634-N650 WeakPolarHBondContact CA-ND2 3.44Å; Y634-N650 WeakPolarHBondContact CB-ND2 3.36Å; Y634-N650 HydrophobicContact CD1-CB 4.35Å; Y634-N650 VanDerWaalsContact CD1-ND2 3.3Å; Y634-N650 WeakPolarHBondContact CD1-ND2 3.28Å; I635-N650 PolarHBondContact N-ND2 2.9Å; I635-N650 VanDerWaalsContact O-CG 3.27Å; I635-N650 PolarHBondContact O-ND2 3.44Å; I635-N650 PolarHBondContact O-OD1 2.85Å; N650-Q652 VanDerWaalsContact C-N 3.28Å; N650-Q652 PolarHBondContact O-N 3.34Å; N650-F653 PolarHBondContact O-N 3.16Å; N650-L654 VanDerWaalsContact O-CB 3.27Å; N650-L654 WeakPolarHBondContact O-CB 3.4Å; N650-L654 PolarHBondContact O-N 2.56Å
651T84.6Confident78.7Confident46 Ų4667 Ų6728%0.28233%0.331SS..Hα-helixtrans-64-38.4177.3-49.70000111.1L624 Y632 N649 L655L624-T651 HydrophobicContact CD1-CG2 4.28Å; L624-T651 HydrophobicContact CD2-CG2 3.97Å; Y632-T651 PolarHBondContact OH-OG1 3.18Å; N649-T651 VanDerWaalsContact C-N 3.26Å; N649-T651 PolarHBondContact O-N 3.19Å; N649-T651 PolarHBondContact OD1-N 3.33Å; T651-L655 WeakPolarHBondContact O-CG 3.48Å; T651-L655 PolarHBondContact O-N 3.04Å
652Q85.5Confident78.6Confident102 Ų10271 Ų7148%0.47735%0.351SS..Hα-helixtrans-69.8-44.6175.4-175.3178.6-11.900110.6N649 N650 L654 L655 D656N649-Q652 HydrophobicContact CB-CB 4.28Å; N649-Q652 WeakPolarHBondContact O-CB 3.29Å; N649-Q652 PolarHBondContact O-N 2.51Å; N649-Q652 VanDerWaalsContact O-N 3.09Å; N650-Q652 VanDerWaalsContact C-N 3.28Å; N650-Q652 PolarHBondContact O-N 3.34Å; Q652-L654 VanDerWaalsContact C-N 3.29Å; Q652-L654 PolarHBondContact O-N 3.39Å; Q652-L655 WeakPolarHBondContact O-CB 3.32Å; Q652-L655 PolarHBondContact O-N 2.99Å; Q652-L655 VanDerWaalsContact O-N 3.16Å; Q652-D656 PolarHBondContact O-N 3.41Å
653F86.3Confident78.6Confident0 Ų070 Ų700%034%0.342CS..Hα-helixtrans-56.9-43.6176.1-171.4-108.8000112.5I635 P637 Y640 V644 K645 L646 S647 N649 N650 L655 D656 F657I635-F653 HydrophobicContact CG2-CD1 4.19Å; I635-F653 HydrophobicContact CG2-CE1 3.85Å; P637-F653 HydrophobicContact CB-CE1 4.47Å; Y640-F653 HydrophobicContact CD2-CE1 4.25Å; Y640-F653 AromaticContact CD2-CZ 3.87Å; Y640-F653 HydrophobicContact CD2-CZ 3.87Å; Y640-F653 AromaticContact CE2-CE1 3.78Å; Y640-F653 HydrophobicContact CE2-CE1 3.78Å; Y640-F653 AromaticContact CE2-CZ 3.8Å; Y640-F653 HydrophobicContact CE2-CZ 3.8Å; V644-F653 HydrophobicContact CG1-CD2 4.22Å; V644-F653 HydrophobicContact CG1-CE2 3.72Å; V644-F653 HydrophobicContact CG1-CZ 4.32Å; K645-F653 WeakPolarHBondContact O-CD2 3.46Å; L646-F653 HydrophobicContact CD2-CE2 4.18Å; L646-F653 HydrophobicContact CD2-CZ 4.46Å; S647-F653 WeakPolarHBondContact OG-CA 3.38Å; S647-F653 WeakPolarHBondContact OG-CB 3.01Å; S647-F653 PolarHBondContact OG-N 2.98Å; N649-F653 PolarHBondContact O-N 2.76Å; N649-F653 VanDerWaalsContact O-N 3.08Å; N650-F653 PolarHBondContact O-N 3.16Å; F653-L655 PolarHBondContact O-N 3.17Å; F653-D656 PolarHBondContact O-N 3.45Å; F653-F657 VanDerWaalsContact O-CB 3.3Å; F653-F657 WeakPolarHBondContact O-CB 3.16Å; F653-F657 PolarHBondContact O-N 3.13Å
654L85.5Confident78.1Confident3 Ų364.9 Ų64.92%0.01632%0.322CS..Hα-helixtrans-61.6-42.1176.618065.2000112.4I622 L624 F627 I635 N650 Q652 F657 N658I622-L654 HydrophobicContact CG2-CD1 3.48Å; I622-L654 VanDerWaalsContact CG2-CD1 3.48Å; L624-L654 HydrophobicContact CD2-CD2 3.81Å; L624-L654 HydrophobicContact CG-CD2 4.26Å; F627-L654 HydrophobicContact CE1-CD2 4.41Å; F627-L654 HydrophobicContact CE2-CD2 4.44Å; F627-L654 HydrophobicContact CZ-CD2 3.61Å; I635-L654 HydrophobicContact CD1-CD1 3.19Å; I635-L654 HydrophobicContact CG1-CD1 3.76Å; N650-L654 VanDerWaalsContact O-CB 3.27Å; N650-L654 WeakPolarHBondContact O-CB 3.4Å; N650-L654 PolarHBondContact O-N 2.56Å; Q652-L654 VanDerWaalsContact C-N 3.29Å; Q652-L654 PolarHBondContact O-N 3.39Å; L654-F657 PolarHBondContact O-N 3.37Å; L654-N658 WeakPolarHBondContact O-CB 3.05Å; L654-N658 VanDerWaalsContact O-CG 3.32Å; L654-N658 PolarHBondContact O-N 2.9Å; L654-N658 PolarHBondContact O-ND2 3.18Å
655L84.8Confident77.3Confident76 Ų7668.7 Ų68.740%0.39835%0.345SS..Hα-helixtrans-63.3-46.8176.3-77.4170.3000111.5L624 T651 Q652 F653 F657 N658 Q659L624-L655 HydrophobicContact CD1-CD1 4.18Å; L624-L655 HydrophobicContact CD1-CD2 3.46Å; L624-L655 VanDerWaalsContact CD1-CD2 3.46Å; L624-L655 HydrophobicContact CD1-CG 3.76Å; T651-L655 WeakPolarHBondContact O-CG 3.48Å; T651-L655 PolarHBondContact O-N 3.04Å; Q652-L655 WeakPolarHBondContact O-CB 3.32Å; Q652-L655 PolarHBondContact O-N 2.99Å; Q652-L655 VanDerWaalsContact O-N 3.16Å; F653-L655 PolarHBondContact O-N 3.17Å; L655-F657 VanDerWaalsContact C-N 3.3Å; L655-F657 PolarHBondContact O-N 3.21Å; L655-N658 PolarHBondContact O-N 2.77Å; L655-Q659 WeakPolarHBondContact O-CG 3.25Å; L655-Q659 PolarHBondContact O-N 2.9Å
656D84.6Confident76.1Confident50 Ų5064.2 Ų64.227%0.26734%0.341SS..Hα-helixtrans-63.4-39.5178.7-66.5-19.7000110.8V644 Q652 F653 Q659 Y660V644-D656 HydrophobicContact CG1-CB 4.26Å; Q652-D656 PolarHBondContact O-N 3.41Å; F653-D656 PolarHBondContact O-N 3.45Å; D656-Q659 PolarHBondContact O-N 2.9Å; D656-Y660 PolarHBondContact O-N 2.92Å
657F83.7Confident74.7Confident0 Ų066 Ų660%035%0.35CS..Hα-helixtrans-65.8-43.9175.5-177.1-102.3000112.8I635 Y640 F653 L654 L655 Y660 I661 V676 L679I635-F657 HydrophobicContact CD1-CD1 3.79Å; I635-F657 HydrophobicContact CD1-CE1 4.08Å; Y640-F657 AromaticContact CD1-CE2 3.93Å; Y640-F657 HydrophobicContact CD1-CE2 3.93Å; Y640-F657 HydrophobicContact CD1-CZ 4.49Å; Y640-F657 HydrophobicContact CD2-CD2 4.14Å; Y640-F657 HydrophobicContact CD2-CE2 4.03Å; Y640-F657 HydrophobicContact CE1-CE2 4.42Å; Y640-F657 HydrophobicContact CG-CD2 4.28Å; Y640-F657 AromaticContact CG-CE2 3.77Å; Y640-F657 HydrophobicContact CG-CE2 3.77Å; F653-F657 VanDerWaalsContact O-CB 3.3Å; F653-F657 WeakPolarHBondContact O-CB 3.16Å; F653-F657 PolarHBondContact O-N 3.13Å; L654-F657 PolarHBondContact O-N 3.37Å; L655-F657 VanDerWaalsContact C-N 3.3Å; L655-F657 PolarHBondContact O-N 3.21Å; F657-Y660 WeakPolarHBondContact O-CB 3.24Å; F657-Y660 PolarHBondContact O-N 3.45Å; F657-I661 HydrophobicContact CD1-CD1 3.91Å; F657-I661 HydrophobicContact CE1-CD1 3.3Å; F657-I661 HydrophobicContact CE1-CG1 4.24Å; F657-I661 HydrophobicContact CZ-CD1 3.65Å; F657-I661 HydrophobicContact CZ-CG1 4.31Å; F657-I661 PolarHBondContact O-N 2.68Å; F657-V676 HydrophobicContact CZ-CG1 4.43Å; F657-L679 HydrophobicContact CE1-CD2 3.84Å; F657-L679 HydrophobicContact CZ-CD2 3.96Å
658N81.9Confident73.5Confident24 Ų2469.8 Ų69.813%0.12838%0.383CS..Hα-helixtrans-63.7-42.7176.6-77.1-26.4000111.3I622 L654 L655 Y660 I661 D662I622-N658 PolarHBondContact O-ND2 3.16Å; L654-N658 WeakPolarHBondContact O-CB 3.05Å; L654-N658 VanDerWaalsContact O-CG 3.32Å; L654-N658 PolarHBondContact O-N 2.9Å; L654-N658 PolarHBondContact O-ND2 3.18Å; L655-N658 PolarHBondContact O-N 2.77Å; N658-Y660 VanDerWaalsContact C-N 3.25Å; N658-Y660 PolarHBondContact O-N 2.82Å; N658-I661 PolarHBondContact O-N 2.99Å; N658-D662 PolarHBondContact O-N 3.45Å; N658-D662 VanDerWaalsContact O-N 3.09Å
659Q80.5Confident72.6Confident90 Ų9065.6 Ų65.642%0.42137%0.371SS..Hα-helixtrans-60.7-35.5173.9-72.5-179.326.100112.5L655 D656 D662 R663L655-Q659 WeakPolarHBondContact O-CG 3.25Å; L655-Q659 PolarHBondContact O-N 2.9Å; D656-Q659 PolarHBondContact O-N 2.9Å; Q659-D662 PolarHBondContact O-N 3.06Å; Q659-R663 WeakPolarHBondContact O-CG 3.47Å; Q659-R663 PolarHBondContact O-N 3.43Å; Q659-R663 VanDerWaalsContact O-N 3.16Å
660Y77.9Confident71.2Confident34 Ų3464.9 Ų64.913%0.13337%0.37CS..Hα-helixtrans-65.7-45.6176.1172.5-96.6000111.9C641 V644 D656 F657 N658 D662 R663 S664C641-Y660 HydrophobicContact CB-CE1 4.44Å; C641-Y660 HydrophobicContact CB-CE2 4.18Å; C641-Y660 WeakPolarHBondContact SG-CE1 3Å; C641-Y660 PolarHBondContact SG-OH 3.36Å; V644-Y660 HydrophobicContact CG2-CD2 4.2Å; V644-Y660 HydrophobicContact CG2-CG 3.9Å; D656-Y660 PolarHBondContact O-N 2.92Å; F657-Y660 WeakPolarHBondContact O-CB 3.24Å; F657-Y660 PolarHBondContact O-N 3.45Å; N658-Y660 VanDerWaalsContact C-N 3.25Å; N658-Y660 PolarHBondContact O-N 2.82Å; Y660-D662 VanDerWaalsContact C-N 3.27Å; Y660-D662 PolarHBondContact O-N 3.34Å; Y660-R663 PolarHBondContact O-N 2.97Å; Y660-S664 WeakPolarHBondContact O-CB 3.42Å; Y660-S664 PolarHBondContact O-N 3.03Å; Y660-S664 PolarHBondContact O-OG 3.4Å
661I76.1Confident70Confident14 Ų1465.6 Ų65.67%0.07238%0.381CS..Hα-helixtrans-60.6-39.9177-68.1176.2000110.9F657 N658 R663 S664 I680F657-I661 HydrophobicContact CD1-CD1 3.91Å; F657-I661 HydrophobicContact CE1-CD1 3.3Å; F657-I661 HydrophobicContact CE1-CG1 4.24Å; F657-I661 HydrophobicContact CZ-CD1 3.65Å; F657-I661 HydrophobicContact CZ-CG1 4.31Å; F657-I661 PolarHBondContact O-N 2.68Å; N658-I661 PolarHBondContact O-N 2.99Å; I661-R663 VanDerWaalsContact C-N 3.33Å; I661-R663 PolarHBondContact O-N 3.4Å; I661-S664 PolarHBondContact O-OG 3.23Å; I661-I680 HydrophobicContact CD1-CD1 4.24Å
662D72.6Confident69.3Low95 Ų9568.1 Ų68.151%0.50839%0.393SS..Hα-helixtrans-64.8-35.6178.4-69.2-19.2000112.4N658 Q659 Y660N658-D662 PolarHBondContact O-N 3.45Å; N658-D662 VanDerWaalsContact O-N 3.09Å; Q659-D662 PolarHBondContact O-N 3.06Å; Y660-D662 VanDerWaalsContact C-N 3.27Å; Y660-D662 PolarHBondContact O-N 3.34Å
663R71Confident68.9Low180 Ų18068 Ų6868%0.67939%0.392SS*.Hα-helixtrans-85.1-37-178.3-70.4177.9-172.3172.38.7114.5Q659 Y660 I661 T665 A666Q659-R663 WeakPolarHBondContact O-CG 3.47Å; Q659-R663 PolarHBondContact O-N 3.43Å; Q659-R663 VanDerWaalsContact O-N 3.16Å; Y660-R663 PolarHBondContact O-N 2.97Å; I661-R663 VanDerWaalsContact C-N 3.33Å; I661-R663 PolarHBondContact O-N 3.4Å; R663-T665 PolarHBondContact O-N 3.45Å; R663-A666 PolarHBondContact O-N 3.31Å
664S58.5Low68.7Low31 Ų3170.7 Ų70.722%0.21741%0.411CS..THydrogen-bonded Turntrans-68.6-4.3-167.4530000115.6Y660 I661 A666Y660-S664 WeakPolarHBondContact O-CB 3.42Å; Y660-S664 PolarHBondContact O-N 3.03Å; Y660-S664 PolarHBondContact O-OG 3.4Å; I661-S664 PolarHBondContact O-OG 3.23Å; S664-A666 PolarHBondContact O-N 3.13Å
665T54.3Low68.6Low98 Ų9871.2 Ų71.260%0.60141%0.414SS*.THydrogen-bonded Turntrans-68.3-14.1170.454.40000114.4Q615 R663Q615-T665 HydrophobicContact CG-CG2 4.42Å; R663-T665 PolarHBondContact O-N 3.45Å
666A45.3Very low68.6Low80 Ų8068.5 Ų68.566%0.66140%0.401SS*.SBendtrans-92.7-28178.200000114.6R663 S664R663-A666 PolarHBondContact O-N 3.31Å; S664-A666 PolarHBondContact O-N 3.13Å
667D45.2Very low68.6Low129 Ų12968 Ų6869%0.6940%0.396SS*.  trans-141.489.6-172.8-81.2-41.4000112.3S669D667-S669 PolarHBondContact O-N 3.3Å
668A46.7Very low68.8Low108 Ų10869.1 Ų69.189%0.89340%0.4SS*.  trans-89.838.1-169.700000115.8
669S50.4Low69.2Low106 Ų10668 Ų6874%0.74139%0.394SS*.SBendtrans-116.31-167.866.80000118.4D667D667-S669 PolarHBondContact O-N 3.3Å
670T55.2Low69.5Low78 Ų7863.8 Ų63.848%0.47938%0.375SS..SBendtrans-134.76.2-166.8420000117.6
671G59.6Low70Confident33 Ų3362.3 Ų62.334%0.3437%0.369SS..BIsolated β-bridgetrans-117.1155.5-176.400000116.1C641 E673C641-G671 VanDerWaalsContact SG-CA 3.53Å; G671-E673 PolarHBondContact O-N 2.01Å
672N70.3Confident70.7Confident99 Ų9961.7 Ų61.753%0.52937%0.366SS..  trans-75.585.4172.8-82.6-28000110.2Y640 S674 L675 V676Y640-N672 PolarHBondContact O-N 3.24Å; Y640-N672 VanDerWaalsContact O-N 3.14Å; N672-S674 VanDerWaalsContact C-N 3.26Å; N672-S674 PolarHBondContact O-N 2.01Å; N672-L675 HydrophobicContact CB-CB 4.34Å; N672-L675 PolarHBondContact O-N 3.1Å; N672-V676 PolarHBondContact O-N 3.48Å
673E76.9Confident71.4Confident100 Ų10057.2 Ų57.247%0.46734%0.342SS..Hα-helixtrans-59.6-32.5-170.9-153.3-161.6168.200113.7K614 G671 K677K614-E673 IonicContact NZ-OE1 3.36Å; K614-E673 PolarHBondContact NZ-OE1 3.43Å; G671-E673 PolarHBondContact O-N 2.01Å; E673-K677 HydrophobicContact CG-CD 4.28Å; E673-K677 VanDerWaalsContact O-CB 3.27Å; E673-K677 WeakPolarHBondContact O-CB 3.07Å; E673-K677 WeakPolarHBondContact O-CD 3.42Å; E673-K677 WeakPolarHBondContact O-CG 3.03Å; E673-K677 PolarHBondContact O-N 2.78Å; E673-K677 WeakPolarHBondContact OE1-CE 3.3Å; E673-K677 IonicContact OE1-NZ 2.71Å; E673-K677 PolarHBondContact OE1-NZ 3.38Å; E673-K677 IonicContact OE2-NZ 2.86Å; E673-K677 PolarHBondContact OE2-NZ 3.03Å
674S81.3Confident72.3Confident56 Ų5649.3 Ų49.339%0.39232%0.316SS..Hα-helixtrans-64.4-41.9178.654.50000112.6N672 K677 R678N672-S674 VanDerWaalsContact C-N 3.26Å; N672-S674 PolarHBondContact O-N 2.01Å; S674-K677 PolarHBondContact O-N 2.9Å; S674-R678 WeakPolarHBondContact O-CB 3.4Å; S674-R678 PolarHBondContact O-N 3.18Å
675L84.1Confident73.8Confident15 Ų1547.9 Ų47.98%0.07931%0.306CS..Hα-helixtrans-71.3-42.8-176.9-160.1157.5000110.5F477 R638 Y640 N672 R678 L679F477-L675 HydrophobicContact CB-CD1 4.4Å; F477-L675 HydrophobicContact CD1-CD1 4.16Å; F477-L675 HydrophobicContact CD2-CD1 3.48Å; F477-L675 VanDerWaalsContact CD2-CD1 3.48Å; F477-L675 HydrophobicContact CE1-CD1 4.3Å; F477-L675 HydrophobicContact CE2-CD1 3.64Å; F477-L675 HydrophobicContact CG-CD1 3.75Å; F477-L675 HydrophobicContact CZ-CD1 4.05Å; R638-L675 HydrophobicContact CB-CD2 4.4Å; Y640-L675 HydrophobicContact CD1-CD2 3.16Å; Y640-L675 HydrophobicContact CE1-CD2 3.06Å; Y640-L675 HydrophobicContact CG-CD2 4.15Å; N672-L675 HydrophobicContact CB-CB 4.34Å; N672-L675 PolarHBondContact O-N 3.1Å; L675-R678 PolarHBondContact O-N 2.94Å; L675-L679 PolarHBondContact O-N 3.24Å
676V84.7Confident75.6Confident19 Ų1943.3 Ų43.312%0.11528%0.278CS..Hα-helixtrans-62.8-45.3174177.90000111.1Y640 F657 N672 R678 L679 I680Y640-V676 HydrophobicContact CD1-CG2 4Å; Y640-V676 HydrophobicContact CG-CG2 4.45Å; F657-V676 HydrophobicContact CZ-CG1 4.43Å; N672-V676 PolarHBondContact O-N 3.48Å; V676-R678 VanDerWaalsContact C-N 3.32Å; V676-R678 PolarHBondContact O-N 3.13Å; V676-L679 PolarHBondContact O-N 3.25Å; V676-I680 HydrophobicContact CG1-CD1 3.82Å; V676-I680 HydrophobicContact CG1-CG1 4.5Å; V676-I680 WeakPolarHBondContact O-CG1 2.89Å; V676-I680 PolarHBondContact O-N 2.81Å
677K85.3Confident77.7Confident38 Ų3839.7 Ų39.717%0.16525%0.248CC..Hα-helixtrans-56.9-44.4175.3-82.3169.4178.3165.60112.1A607 L609 K614 E673 S674 I680 L681A607-K677 HydrophobicContact CB-CB 3.93Å; L609-K677 HydrophobicContact CD1-CB 4.24Å; L609-K677 WeakPolarHBondContact CD1-O 3.24Å; K614-K677 HydrophobicContact CD-CG 4.3Å; E673-K677 HydrophobicContact CG-CD 4.28Å; E673-K677 VanDerWaalsContact O-CB 3.27Å; E673-K677 WeakPolarHBondContact O-CB 3.07Å; E673-K677 WeakPolarHBondContact O-CD 3.42Å; E673-K677 WeakPolarHBondContact O-CG 3.03Å; E673-K677 PolarHBondContact O-N 2.78Å; E673-K677 WeakPolarHBondContact OE1-CE 3.3Å; E673-K677 IonicContact OE1-NZ 2.71Å; E673-K677 PolarHBondContact OE1-NZ 3.38Å; E673-K677 IonicContact OE2-NZ 2.86Å; E673-K677 PolarHBondContact OE2-NZ 3.03Å; S674-K677 PolarHBondContact O-N 2.9Å; K677-I680 PolarHBondContact O-N 3.27Å; K677-L681 PolarHBondContact O-N 2.76Å
678R88.1Confident79.8Confident24 Ų2436.5 Ų36.59%0.09123%0.229CC..Hα-helixtrans-62.8-44.5179.2-179.660.3165.4149.6-4.3111.9S674 L675 V676 L681 D682 D709S674-R678 WeakPolarHBondContact O-CB 3.4Å; S674-R678 PolarHBondContact O-N 3.18Å; L675-R678 PolarHBondContact O-N 2.94Å; V676-R678 VanDerWaalsContact C-N 3.32Å; V676-R678 PolarHBondContact O-N 3.13Å; R678-L681 WeakPolarHBondContact O-CB 3.43Å; R678-L681 PolarHBondContact O-N 3.14Å; R678-D682 IonicContact CZ-OD1 3.73Å; R678-D682 IonicContact CZ-OD2 2.69Å; R678-D682 IonicContact NE-OD2 3.28Å; R678-D682 IonicContact NH1-OD1 3.65Å; R678-D682 PolarHBondContact NH1-OD1 3.1Å; R678-D682 IonicContact NH1-OD2 3.83Å; R678-D682 PolarHBondContact O-N 3.41Å; R678-D682 VanDerWaalsContact O-N 3.11Å; R678-D709 IonicContact NH2-OD2 2.68Å; R678-D709 PolarHBondContact NH2-OD2 3.21Å
679L88.5Confident81.9Confident0 Ų031.4 Ų31.40%019%0.187CC..Hα-helixtrans-60.9-46.9176.7-178.4146.6000111.7I622 I635 Y640 F657 L675 V676 L681 D682 A683 I712I622-L679 HydrophobicContact CD1-CD2 4.05Å; I635-L679 HydrophobicContact CD1-CD1 4.41Å; I635-L679 HydrophobicContact CD1-CD2 4.41Å; I635-L679 HydrophobicContact CG2-CD1 3.78Å; Y640-L679 HydrophobicContact CE1-CB 4.24Å; Y640-L679 HydrophobicContact CE1-CD1 3.47Å; Y640-L679 VanDerWaalsContact CE1-CD1 3.47Å; Y640-L679 HydrophobicContact CE1-CG 4.45Å; Y640-L679 VanDerWaalsContact CZ-CD1 3.48Å; Y640-L679 WeakPolarHBondContact OH-CD1 3.34Å; F657-L679 HydrophobicContact CE1-CD2 3.84Å; F657-L679 HydrophobicContact CZ-CD2 3.96Å; L675-L679 PolarHBondContact O-N 3.24Å; V676-L679 PolarHBondContact O-N 3.25Å; L679-L681 VanDerWaalsContact C-N 3.32Å; L679-L681 PolarHBondContact O-N 2.87Å; L679-D682 PolarHBondContact O-N 2.86Å; L679-A683 PolarHBondContact O-N 2.73Å; L679-I712 HydrophobicContact CD1-CG1 4.31Å; L679-I712 HydrophobicContact CD2-CD1 3.94Å; L679-I712 HydrophobicContact CD2-CG1 4.39Å; L679-I712 HydrophobicContact CG-CD1 3.82Å; L679-I712 HydrophobicContact CG-CG1 3.92Å; L679-I712 WeakPolarHBondContact O-CD1 3.43Å
680I87.3Confident83.7Confident3 Ų326.4 Ų26.42%0.01515%0.152CC..Hα-helixtrans-64.9-38.4-178.9-64.7169.8000111.1K614 I617 I661 V676 K677 A683 G684K614-I680 HydrophobicContact CB-CD1 4.19Å; I617-I680 HydrophobicContact CB-CG2 3.95Å; I617-I680 HydrophobicContact CG2-CG2 3.89Å; I617-I680 WeakPolarHBondContact CG2-O 3.33Å; I661-I680 HydrophobicContact CD1-CD1 4.24Å; V676-I680 HydrophobicContact CG1-CD1 3.82Å; V676-I680 HydrophobicContact CG1-CG1 4.5Å; V676-I680 WeakPolarHBondContact O-CG1 2.89Å; V676-I680 PolarHBondContact O-N 2.81Å; K677-I680 PolarHBondContact O-N 3.27Å; I680-A683 WeakPolarHBondContact O-CB 3.17Å; I680-A683 PolarHBondContact O-N 2.76Å; I680-G684 PolarHBondContact O-N 3.4Å; I680-G684 VanDerWaalsContact O-N 3.16Å
681L88.6Confident85.3Confident2 Ų228.3 Ų28.31%0.0115%0.154CC..Hα-helixtrans-55.4-53.4172.9-177.561.6000110.9L41 Y42 I605 A607 L609 K677 R678 L679 A683 G684 L685L41-L681 HydrophobicContact CB-CD1 3.61Å; L41-L681 HydrophobicContact CD1-CD1 3.97Å; L41-L681 HydrophobicContact CG-CD1 4.44Å; Y42-L681 HydrophobicContact CD1-CD2 4.18Å; Y42-L681 HydrophobicContact CG-CD2 4.32Å; I605-L681 HydrophobicContact CG2-CD2 4.38Å; A607-L681 HydrophobicContact CB-CB 4.31Å; A607-L681 HydrophobicContact CB-CD2 3.93Å; L609-L681 HydrophobicContact CD1-CB 3.96Å; K677-L681 PolarHBondContact O-N 2.76Å; R678-L681 WeakPolarHBondContact O-CB 3.43Å; R678-L681 PolarHBondContact O-N 3.14Å; L679-L681 VanDerWaalsContact C-N 3.32Å; L679-L681 PolarHBondContact O-N 2.87Å; L681-A683 PolarHBondContact O-N 2.93Å; L681-G684 PolarHBondContact O-N 3.22Å; L681-G684 VanDerWaalsContact O-N 3.12Å; L681-L685 HydrophobicContact CD1-CD1 4.33Å; L681-L685 HydrophobicContact CD1-CG 4.5Å; L681-L685 HydrophobicContact CG-CD1 4.03Å; L681-L685 WeakPolarHBondContact O-CG 3.19Å; L681-L685 PolarHBondContact O-N 3.42Å; L681-L685 VanDerWaalsContact O-N 3.08Å
682D90.2Very high86.7Confident2 Ų228.2 Ų28.21%0.01115%0.146CC..Hα-helixtrans-65.3-31.7-176.3-70.22.8000111R678 L679 G684 L685 T686 T708 G710R678-D682 IonicContact CZ-OD1 3.73Å; R678-D682 IonicContact CZ-OD2 2.69Å; R678-D682 IonicContact NE-OD2 3.28Å; R678-D682 IonicContact NH1-OD1 3.65Å; R678-D682 PolarHBondContact NH1-OD1 3.1Å; R678-D682 IonicContact NH1-OD2 3.83Å; R678-D682 PolarHBondContact O-N 3.41Å; R678-D682 VanDerWaalsContact O-N 3.11Å; L679-D682 PolarHBondContact O-N 2.86Å; D682-G684 PolarHBondContact O-N 2.79Å; D682-L685 PolarHBondContact O-N 2.88Å; D682-T686 WeakPolarHBondContact O-CB 3.23Å; D682-T686 VanDerWaalsContact O-CG2 3.28Å; D682-T686 WeakPolarHBondContact O-CG2 3.31Å; D682-T686 PolarHBondContact O-N 3.29Å; D682-T686 PolarHBondContact O-OG1 2.88Å; D682-T708 HydrophobicContact CB-CG2 4.36Å; D682-G710 WeakPolarHBondContact OD2-CA 3.32Å; D682-G710 PolarHBondContact OD2-N 3.31Å
683A88.9Confident87.6Confident0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-62.1-42.3173.300000112.4I622 L679 I680 L681 T686 A687 I712 R714I622-A683 HydrophobicContact CD1-CB 3.57Å; I622-A683 HydrophobicContact CG1-CB 3.82Å; L679-A683 PolarHBondContact O-N 2.73Å; I680-A683 WeakPolarHBondContact O-CB 3.17Å; I680-A683 PolarHBondContact O-N 2.76Å; L681-A683 PolarHBondContact O-N 2.93Å; A683-T686 PolarHBondContact O-OG1 3.39Å; A683-A687 WeakPolarHBondContact O-CB 3.41Å; A683-A687 PolarHBondContact O-N 2.87Å; A683-I712 VanDerWaalsContact CA-CD1 3.46Å; A683-I712 HydrophobicContact CB-CD1 3.39Å; A683-R714 PolarHBondContact O-NH1 3.29Å; A683-R714 PolarHBondContact O-NH2 3.24Å; A683-R714 VanDerWaalsContact O-NH2 3.07Å
684G88.7Confident88.1Confident14 Ų1425.2 Ų25.214%0.14413%0.127CC..Hα-helixtrans-66.7-47177.100000111.9I680 L681 D682 A687 E688I680-G684 PolarHBondContact O-N 3.4Å; I680-G684 VanDerWaalsContact O-N 3.16Å; L681-G684 PolarHBondContact O-N 3.22Å; L681-G684 VanDerWaalsContact O-N 3.12Å; D682-G684 PolarHBondContact O-N 2.79Å; G684-A687 WeakPolarHBondContact O-CB 3.35Å; G684-A687 PolarHBondContact O-N 3.39Å; G684-A687 VanDerWaalsContact O-N 3.13Å; G684-E688 PolarHBondContact O-N 2.83Å
685L90.3Very high88.3Confident2 Ų230.5 Ų30.51%0.0115%0.146CC..Hα-helixtrans-64.6-44.4-178.4-62.1174.6000112.1I34 F35 N38 L681 D682 A687 E688 L689I34-L685 HydrophobicContact CG2-CB 4.35Å; I34-L685 HydrophobicContact CG2-CD2 3.8Å; F35-L685 HydrophobicContact CD1-CD1 3.77Å; F35-L685 HydrophobicContact CE1-CD1 3.35Å; F35-L685 HydrophobicContact CE2-CD1 4.42Å; F35-L685 HydrophobicContact CG-CD1 4.45Å; F35-L685 HydrophobicContact CZ-CD1 3.72Å; N38-L685 HydrophobicContact CB-CD2 3.81Å; N38-L685 WeakPolarHBondContact ND2-CD2 3.37Å; L681-L685 HydrophobicContact CD1-CD1 4.33Å; L681-L685 HydrophobicContact CD1-CG 4.5Å; L681-L685 HydrophobicContact CG-CD1 4.03Å; L681-L685 WeakPolarHBondContact O-CG 3.19Å; L681-L685 PolarHBondContact O-N 3.42Å; L681-L685 VanDerWaalsContact O-N 3.08Å; D682-L685 PolarHBondContact O-N 2.88Å; L685-A687 PolarHBondContact O-N 2.79Å; L685-E688 PolarHBondContact O-N 2.68Å; L685-L689 PolarHBondContact O-N 2.67Å
686T91.6Very high88.2Confident2 Ų233.4 Ų33.41%0.01216%0.159CC..Hα-helixtrans-68-20.4176.754.40000112.3D682 A683 L689 V690 V706 T708 R714D682-T686 WeakPolarHBondContact O-CB 3.23Å; D682-T686 VanDerWaalsContact O-CG2 3.28Å; D682-T686 WeakPolarHBondContact O-CG2 3.31Å; D682-T686 PolarHBondContact O-N 3.29Å; D682-T686 PolarHBondContact O-OG1 2.88Å; A683-T686 PolarHBondContact O-OG1 3.39Å; T686-L689 PolarHBondContact O-N 3.28Å; T686-V690 WeakPolarHBondContact O-CG2 3.23Å; T686-V690 PolarHBondContact O-N 3.36Å; T686-V706 HydrophobicContact CG2-CB 4.5Å; T686-V706 HydrophobicContact CG2-CG1 3.68Å; T686-V706 HydrophobicContact CG2-CG2 3.97Å; T686-T708 HydrophobicContact CG2-CG2 3.47Å; T686-T708 VanDerWaalsContact CG2-CG2 3.47Å; T686-R714 PolarHBondContact OG1-NH1 3.37Å
687A89.8Confident87.8Confident4 Ų437.8 Ų37.83%0.03319%0.19CC..Hα-helixtrans-76.8-37.7-179.900000110.7T621 F630 A683 G684 L685 L689 V690 K691T621-A687 HydrophobicContact CG2-CB 3.65Å; F630-A687 HydrophobicContact CD1-CB 3.97Å; F630-A687 HydrophobicContact CE1-CB 4.16Å; A683-A687 WeakPolarHBondContact O-CB 3.41Å; A683-A687 PolarHBondContact O-N 2.87Å; G684-A687 WeakPolarHBondContact O-CB 3.35Å; G684-A687 PolarHBondContact O-N 3.39Å; G684-A687 VanDerWaalsContact O-N 3.13Å; L685-A687 PolarHBondContact O-N 2.79Å; A687-L689 VanDerWaalsContact C-N 3.27Å; A687-L689 PolarHBondContact O-N 2.95Å; A687-V690 PolarHBondContact O-N 3.41Å; A687-K691 PolarHBondContact O-N 3.2Å
688E89.1Confident87.6Confident62 Ų6237.5 Ų37.529%0.2919%0.191SC..Hα-helixtrans-62.2-36.3172.5-67.1-167.4172.400111.5I34 G684 L685 K691I34-E688 HydrophobicContact CD1-CB 3.87Å; I34-E688 HydrophobicContact CG1-CB 4.33Å; I34-E688 HydrophobicContact CG2-CB 4.26Å; I34-E688 WeakPolarHBondContact CG2-OE2 3.4Å; G684-E688 PolarHBondContact O-N 2.83Å; L685-E688 PolarHBondContact O-N 2.68Å; E688-K691 WeakPolarHBondContact O-CB 3.42Å; E688-K691 PolarHBondContact O-N 3.05Å
689L91.1Very high87.2Confident0 Ų042.6 Ų42.60%022%0.22CC..Hα-helixtrans-64.8-41.7176.5-175.663.9000112.5A27 L31 I34 L685 T686 A687 K691 V692 W693 V706 V783A27-L689 HydrophobicContact CB-CD1 4.16Å; L31-L689 HydrophobicContact CB-CD1 4.09Å; L31-L689 HydrophobicContact CB-CD2 4.25Å; L31-L689 HydrophobicContact CD1-CB 4.41Å; L31-L689 HydrophobicContact CD1-CD2 4.25Å; L31-L689 HydrophobicContact CD2-CD2 4.05Å; L31-L689 HydrophobicContact CG-CD2 4.41Å; I34-L689 HydrophobicContact CD1-CB 4.33Å; L685-L689 PolarHBondContact O-N 2.67Å; T686-L689 PolarHBondContact O-N 3.28Å; A687-L689 VanDerWaalsContact C-N 3.27Å; A687-L689 PolarHBondContact O-N 2.95Å; L689-K691 PolarHBondContact O-N 3.2Å; L689-V692 WeakPolarHBondContact O-CA 3.41Å; L689-V692 VanDerWaalsContact O-CB 3.3Å; L689-V692 WeakPolarHBondContact O-CB 3.49Å; L689-V692 PolarHBondContact O-N 3.2Å; L689-W693 HydrophobicContact CD2-CH2 3.96Å; L689-W693 HydrophobicContact CD2-CZ2 3.47Å; L689-W693 VanDerWaalsContact CD2-CZ2 3.47Å; L689-W693 HydrophobicContact CG-CD2 4.37Å; L689-W693 HydrophobicContact CG-CH2 4.47Å; L689-W693 HydrophobicContact CG-CZ2 3.9Å; L689-W693 PolarHBondContact O-N 3.12Å; L689-V706 HydrophobicContact CD2-CB 4.18Å; L689-V706 HydrophobicContact CD2-CG1 4.3Å; L689-V706 HydrophobicContact CD2-CG2 4.36Å; L689-V783 HydrophobicContact CD2-CG1 4.44Å
690V88.8Confident86.8Confident1 Ų143.3 Ų43.31%0.00623%0.228CC..Hα-helixtrans-63.9-31-179.9177.70000111.6F630 T686 A687 V692 W693 K694 Y716F630-V690 WeakPolarHBondContact O-CG2 3.15Å; T686-V690 WeakPolarHBondContact O-CG2 3.23Å; T686-V690 PolarHBondContact O-N 3.36Å; A687-V690 PolarHBondContact O-N 3.41Å; V690-V692 VanDerWaalsContact C-N 3.29Å; V690-V692 PolarHBondContact O-N 3.17Å; V690-W693 HydrophobicContact CB-CE3 4.37Å; V690-W693 HydrophobicContact CG2-CE3 3.81Å; V690-W693 HydrophobicContact CG2-CZ3 3.91Å; V690-W693 WeakPolarHBondContact O-CB 3.46Å; V690-W693 PolarHBondContact O-N 3.33Å; V690-K694 PolarHBondContact O-N 2Å; V690-Y716 HydrophobicContact CG1-CD2 3.84Å; V690-Y716 HydrophobicContact CG1-CE2 4.26Å
691K87.8Confident86.7Confident119 Ų11944.8 Ų44.852%0.51724%0.238SC..Hα-helixtrans-59.7-41171.7-65.7175.6-177173.30111.4A687 E688 L689 K694 E695A687-K691 PolarHBondContact O-N 3.2Å; E688-K691 WeakPolarHBondContact O-CB 3.42Å; E688-K691 PolarHBondContact O-N 3.05Å; L689-K691 PolarHBondContact O-N 3.2Å; K691-K694 WeakPolarHBondContact O-CB 3.44Å; K691-K694 PolarHBondContact O-N 3.14Å; K691-E695 PolarHBondContact O-N 2.85Å
692V89.4Confident86.6Confident31 Ų3147 Ų4719%0.18825%0.251CS..Hα-helixtrans-64.1-43.9174.7-177.80000111A27 L689 V690 K694 E695 Q696A27-V692 HydrophobicContact CB-CG1 4.24Å; L689-V692 WeakPolarHBondContact O-CA 3.41Å; L689-V692 VanDerWaalsContact O-CB 3.3Å; L689-V692 WeakPolarHBondContact O-CB 3.49Å; L689-V692 PolarHBondContact O-N 3.2Å; V690-V692 VanDerWaalsContact C-N 3.29Å; V690-V692 PolarHBondContact O-N 3.17Å; V692-K694 PolarHBondContact O-N 3.33Å; V692-E695 PolarHBondContact O-N 2.82Å; V692-E695 VanDerWaalsContact O-N 3.15Å; V692-Q696 PolarHBondContact O-N 3.39Å
693W89.8Confident86.6Confident2 Ų247 Ų471%0.00825%0.251CS..Hα-helixtrans-62.6-30.4176.7-70.8-15.1000113.6T26 L689 V690 Q696 R704 V706 Y716T26-W693 PolarHBondContact O-NE1 3.03Å; L689-W693 HydrophobicContact CD2-CH2 3.96Å; L689-W693 HydrophobicContact CD2-CZ2 3.47Å; L689-W693 VanDerWaalsContact CD2-CZ2 3.47Å; L689-W693 HydrophobicContact CG-CD2 4.37Å; L689-W693 HydrophobicContact CG-CH2 4.47Å; L689-W693 HydrophobicContact CG-CZ2 3.9Å; L689-W693 PolarHBondContact O-N 3.12Å; V690-W693 HydrophobicContact CB-CE3 4.37Å; V690-W693 HydrophobicContact CG2-CE3 3.81Å; V690-W693 HydrophobicContact CG2-CZ3 3.91Å; V690-W693 WeakPolarHBondContact O-CB 3.46Å; V690-W693 PolarHBondContact O-N 3.33Å; W693-Q696 CarbonylContact O-C 3.49Å; W693-R704 HydrophobicContact CD2-CB 4.18Å; W693-R704 HydrophobicContact CE3-CB 4.17Å; W693-R704 HydrophobicContact CH2-CB 4.28Å; W693-R704 HydrophobicContact CZ2-CB 4.27Å; W693-R704 HydrophobicContact CZ3-CB 4.23Å; W693-R704 PolarHBondContact O-NH1 2.93Å; W693-R704 VanDerWaalsContact O-NH1 3.11Å; W693-R704 PolarHBondContact O-NH2 2.88Å; W693-V706 HydrophobicContact CH2-CB 3.98Å; W693-V706 HydrophobicContact CH2-CG1 3.88Å; W693-V706 HydrophobicContact CZ3-CG1 4.48Å; W693-Y716 HydrophobicContact CE3-CG 4.44Å
694K86.7Confident86.8Confident134 Ų13447.7 Ų47.758%0.58325%0.254SS*.Hα-helixtrans-70.3-35.1175.4-171.5173.6-178.7171.50112.2V690 K691 V692V690-K694 PolarHBondContact O-N 2Å; K691-K694 WeakPolarHBondContact O-CB 3.44Å; K691-K694 PolarHBondContact O-N 3.14Å; V692-K694 PolarHBondContact O-N 3.33Å
695E86.3Confident87.1Confident167 Ų16747 Ų4778%0.7825%0.247SC*.Hα-helixtrans-75.9-28.2176.3-67.4177.3-177.700112.4K691 V692K691-E695 PolarHBondContact O-N 2.85Å; V692-E695 PolarHBondContact O-N 2.82Å; V692-E695 VanDerWaalsContact O-N 3.15Å
696Q81.6Confident87.3Confident75 Ų7547 Ų4735%0.3525%0.246SC..  trans-105.597.1-178.8-65.7178.5-11.700111.6V692 W693 R704V692-Q696 PolarHBondContact O-N 3.39Å; W693-Q696 CarbonylContact O-C 3.49Å; Q696-R704 PolarHBondContact O-NH1 3.25Å
697S76Confident87.4Confident111 Ų11146.9 Ų46.978%0.77625%0.246SC*.  trans-82.8124.7166.758.30000110.1
698V80.6Confident87.5Confident32 Ų3246.8 Ų46.819%0.19425%0.245CC..  trans-118.6125.6177.4-1750000109T24 A25 T701T24-V698 HydrophobicContact CG2-CG2 4.27Å; A25-V698 HydrophobicContact CB-CB 4.42Å; A25-V698 HydrophobicContact CB-CG1 4.27Å; A25-V698 HydrophobicContact CB-CG2 4.37Å; V698-T701 HydrophobicContact CB-CG2 4.28Å; V698-T701 HydrophobicContact CG1-CG2 4.11Å; V698-T701 PolarHBondContact O-OG1 2.89Å
699D79.7Confident87.6Confident131 Ų13144.9 Ų44.970%0.70124%0.237SC*.THydrogen-bonded Turntrans-73.6144176.1-65.6-36000110.6F791D699-F791 HydrophobicContact CB-CZ 4.34Å
700G80Confident87.2Confident16 Ų1645 Ų4517%0.16524%0.238CC..THydrogen-bonded Turntrans91.31.4178.800000115.8N788G700-N788 PolarHBondContact O-N 3.05Å
701T86.6Confident87.2Confident34 Ų3444.9 Ų44.921%0.20924%0.237CC..EExtended strand (participates in β ladder)trans-104.4133176.466.10000111.8A25 V698 V785A25-T701 HydrophobicContact CB-CG2 3.8Å; V698-T701 HydrophobicContact CB-CG2 4.28Å; V698-T701 HydrophobicContact CG1-CG2 4.11Å; V698-T701 PolarHBondContact O-OG1 2.89Å; T701-V785 HydrophobicContact CG2-CG1 3.59Å
702V86.9Confident87.3Confident48 Ų4839.2 Ų39.229%0.29121%0.213SC..EExtended strand (participates in β ladder)trans-86.4-48.2175-1790000110.5K786 N788V702-K786 HydrophobicContact CB-CB 4.22Å; V702-K786 PolarHBondContact N-O 3.14Å; V702-N788 HydrophobicContact CG2-CB 3.83Å
703A90.1Very high87.5Confident1 Ų138 Ų381%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-143.4151.9-177.800000110.6V715 Y716 A720 V785 K786A703-V715 HydrophobicContact CB-CG1 4.16Å; A703-Y716 CarbonylContact C-O 3.48Å; A703-Y716 WeakPolarHBondContact CA-O 3.45Å; A703-A720 HydrophobicContact CB-CB 3.59Å; A703-V785 CarbonylContact O-C 3.54Å; A703-V785 VanDerWaalsContact O-CA 3.31Å; A703-V785 WeakPolarHBondContact O-CA 3.19Å; A703-K786 HydrophobicContact CB-CB 3.97Å; A703-K786 HydrophobicContact CB-CD 4.18Å; A703-K786 HydrophobicContact CB-CG 4.26Å; A703-K786 PolarHBondContact O-N 3.21Å
704R92.6Very high87.6Confident16 Ų1637.9 Ų37.96%0.0621%0.205CC..EExtended strand (participates in β ladder)trans-120.3138.5169.1-68.7178-76-170.1-1.3108.2A25 W693 Q696 V715 Y716 V785A25-R704 WeakPolarHBondContact O-CD 3.23Å; W693-R704 HydrophobicContact CD2-CB 4.18Å; W693-R704 HydrophobicContact CE3-CB 4.17Å; W693-R704 HydrophobicContact CH2-CB 4.28Å; W693-R704 HydrophobicContact CZ2-CB 4.27Å; W693-R704 HydrophobicContact CZ3-CB 4.23Å; W693-R704 PolarHBondContact O-NH1 2.93Å; W693-R704 VanDerWaalsContact O-NH1 3.11Å; W693-R704 PolarHBondContact O-NH2 2.88Å; Q696-R704 PolarHBondContact O-NH1 3.25Å; R704-V715 CarbonylContact O-C 3.57Å; R704-V715 WeakPolarHBondContact O-CA 3.34Å; R704-Y716 PolarHBondContact N-O 2.81Å; R704-Y716 PolarHBondContact O-N 3.23Å; R704-V785 HydrophobicContact CG-CG2 4.21Å
705F93.9Very high87.9Confident0 Ų031.5 Ų31.50%018%0.177CC..EExtended strand (participates in β ladder)trans-139.7155.4179.272.3-84.2000113.1R714 V715 W724 F735 L764 G784F705-R714 CarbonylContact C-O 3.51Å; F705-R714 WeakPolarHBondContact CA-O 3.41Å; F705-R714 VanDerWaalsContact CB-O 3.32Å; F705-R714 WeakPolarHBondContact CB-O 3.5Å; F705-V715 HydrophobicContact CB-CG2 4.11Å; F705-W724 HydrophobicContact CB-CH2 4.31Å; F705-W724 HydrophobicContact CB-CZ3 4.43Å; F705-W724 AromaticContact CD1-CH2 3.76Å; F705-W724 HydrophobicContact CD1-CH2 3.76Å; F705-W724 AromaticContact CD1-CZ3 3.99Å; F705-W724 HydrophobicContact CD1-CZ3 3.99Å; F705-W724 HydrophobicContact CD2-CH2 4.06Å; F705-W724 HydrophobicContact CE1-CH2 4.06Å; F705-W724 HydrophobicContact CE2-CH2 4.33Å; F705-W724 AromaticContact CG-CH2 3.75Å; F705-W724 HydrophobicContact CG-CH2 3.75Å; F705-W724 HydrophobicContact CG-CZ3 4.19Å; F705-W724 HydrophobicContact CZ-CH2 4.32Å; F705-F735 HydrophobicContact CE2-CD2 4.3Å; F705-F735 AromaticContact CE2-CE2 3.59Å; F705-F735 HydrophobicContact CE2-CE2 3.59Å; F705-F735 HydrophobicContact CE2-CZ 4.05Å; F705-F735 HydrophobicContact CZ-CD2 4.45Å; F705-F735 HydrophobicContact CZ-CE2 4.14Å; F705-L764 HydrophobicContact CD1-CD1 4.06Å; F705-L764 HydrophobicContact CE1-CD1 3.22Å; F705-L764 HydrophobicContact CE1-CG 4.04Å; F705-L764 HydrophobicContact CZ-CD1 3.66Å; F705-L764 HydrophobicContact CZ-CD2 4.35Å; F705-L764 HydrophobicContact CZ-CG 4.09Å; F705-G784 VanDerWaalsContact CD1-C 3.43Å; F705-G784 WeakPolarHBondContact CD1-O 3.48Å; F705-G784 PolarHBondContact N-O 3.15Å; F705-G784 PolarHBondContact O-N 3.39Å
706V94.6Very high88.1Confident0 Ų025.9 Ų25.90%015%0.149CC..EExtended strand (participates in β ladder)trans-133.4121169.657.70000108L31 T686 L689 W693 T708 T713 R714 A781 V782 V783L31-V706 HydrophobicContact CD2-CG2 3.99Å; T686-V706 HydrophobicContact CG2-CB 4.5Å; T686-V706 HydrophobicContact CG2-CG1 3.68Å; T686-V706 HydrophobicContact CG2-CG2 3.97Å; L689-V706 HydrophobicContact CD2-CB 4.18Å; L689-V706 HydrophobicContact CD2-CG1 4.3Å; L689-V706 HydrophobicContact CD2-CG2 4.36Å; W693-V706 HydrophobicContact CH2-CB 3.98Å; W693-V706 HydrophobicContact CH2-CG1 3.88Å; W693-V706 HydrophobicContact CZ3-CG1 4.48Å; V706-T708 HydrophobicContact CG2-CG2 4.19Å; V706-T713 CarbonylContact O-C 3.53Å; V706-T713 VanDerWaalsContact O-CA 3.3Å; V706-T713 WeakPolarHBondContact O-CA 3.27Å; V706-R714 HydrophobicContact CG1-CB 3.93Å; V706-R714 PolarHBondContact N-O 3.21Å; V706-R714 PolarHBondContact O-N 3.49Å; V706-A781 HydrophobicContact CG2-CB 4.35Å; V706-V782 WeakPolarHBondContact CA-O 3.29Å; V706-V783 HydrophobicContact CB-CG1 4.37Å; V706-V783 HydrophobicContact CG2-CG1 4.04Å
707A94.4Very high88.5Confident1 Ų124.6 Ų24.61%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-106.1136.3172.400000108.4T713 T730 F735 Y736 A781 V782A707-T713 HydrophobicContact CB-CG2 4.35Å; A707-T730 HydrophobicContact CB-CG2 4.27Å; A707-F735 HydrophobicContact CB-CE2 4.47Å; A707-Y736 HydrophobicContact CB-CD2 3.7Å; A707-Y736 HydrophobicContact CB-CE2 3.79Å; A707-Y736 WeakPolarHBondContact O-CE2 3.43Å; A707-A781 WeakPolarHBondContact O-CA 3.43Å; A707-V782 PolarHBondContact N-O 2.6Å; A707-V782 PolarHBondContact O-N 2.94Å
708T92.5Very high89Confident2 Ų223.6 Ų23.61%0.01213%0.126CC..EExtended strand (participates in β ladder)trans-121.9155.8-173.960.90000111.7D682 T686 V706 G710 G711 I712 T730 A781D682-T708 HydrophobicContact CB-CG2 4.36Å; T686-T708 HydrophobicContact CG2-CG2 3.47Å; T686-T708 VanDerWaalsContact CG2-CG2 3.47Å; V706-T708 HydrophobicContact CG2-CG2 4.19Å; T708-G710 VanDerWaalsContact C-N 3.26Å; T708-G710 PolarHBondContact O-N 2.79Å; T708-G711 PolarHBondContact O-N 2.61Å; T708-I712 PolarHBondContact N-O 3.15Å; T708-I712 WeakPolarHBondContact OG1-CA 3.08Å; T708-I712 WeakPolarHBondContact OG1-CB 3.13Å; T708-I712 PolarHBondContact OG1-N 2.93Å; T708-I712 VanDerWaalsContact OG1-N 3.09Å; T708-I712 PolarHBondContact OG1-O 3.38Å; T708-T730 WeakPolarHBondContact O-CG2 3.47Å; T708-T730 PolarHBondContact O-OG1 3.08Å; T708-A781 HydrophobicContact CG2-CB 4.13Å
709D89.3Confident89.3Confident21 Ų2125.7 Ų25.711%0.11214%0.143CC..THydrogen-bonded Turntrans-64.1-31.3176.7178.741.9000112.3R638 R678 G711 Y731 Y736 P780R638-D709 PolarHBondContact NH1-O 3.23Å; R638-D709 PolarHBondContact NH2-O 3.19Å; R678-D709 IonicContact NH2-OD2 2.68Å; R678-D709 PolarHBondContact NH2-OD2 3.21Å; D709-G711 PolarHBondContact O-N 3.48Å; D709-G711 VanDerWaalsContact O-N 3.11Å; D709-Y731 WeakPolarHBondContact OD1-CE1 3.19Å; D709-Y731 VanDerWaalsContact OD1-CZ 3.27Å; D709-Y731 PolarHBondContact OD1-OH 2.98Å; D709-Y736 PolarHBondContact N-OH 3.29Å; D709-P780 WeakPolarHBondContact CB-O 3.43Å; D709-P780 PolarHBondContact N-O 3.38Å
710G84.4Confident89.5Confident2 Ų219.8 Ų19.82%0.02111%0.112CC..THydrogen-bonded Turntrans-69.2-0.1173.900000115.7D682 T708D682-G710 WeakPolarHBondContact OD2-CA 3.32Å; D682-G710 PolarHBondContact OD2-N 3.31Å; T708-G710 VanDerWaalsContact C-N 3.26Å; T708-G710 PolarHBondContact O-N 2.79Å
711G87.3Confident89.7Confident0 Ų019 Ų190%010%0.104CC..SBendtrans88.519.6174.500000114.3I635 A636 T708 D709I635-G711 CarbonylContact C-O 3.59Å; I635-G711 WeakPolarHBondContact CA-O 3.35Å; A636-G711 VanDerWaalsContact CB-CA 3.5Å; A636-G711 VanDerWaalsContact CB-O 3.3Å; A636-G711 WeakPolarHBondContact CB-O 3.38Å; A636-G711 PolarHBondContact N-O 2.9Å; T708-G711 PolarHBondContact O-N 2.61Å; D709-G711 PolarHBondContact O-N 3.48Å; D709-G711 VanDerWaalsContact O-N 3.11Å
712I91.4Very high89.4Confident0 Ų023.1 Ų23.10%012%0.121CC..EExtended strand (participates in β ladder)trans-102.8129.4172.1-70.2174.3000109.6T633 Y634 L679 A683 T708 R714T633-I712 HydrophobicContact CG2-CG2 4.04Å; Y634-I712 WeakPolarHBondContact O-CA 3.47Å; L679-I712 HydrophobicContact CD1-CG1 4.31Å; L679-I712 HydrophobicContact CD2-CD1 3.94Å; L679-I712 HydrophobicContact CD2-CG1 4.39Å; L679-I712 HydrophobicContact CG-CD1 3.82Å; L679-I712 HydrophobicContact CG-CG1 3.92Å; L679-I712 WeakPolarHBondContact O-CD1 3.43Å; A683-I712 VanDerWaalsContact CA-CD1 3.46Å; A683-I712 HydrophobicContact CB-CD1 3.39Å; T708-I712 PolarHBondContact N-O 3.15Å; T708-I712 WeakPolarHBondContact OG1-CA 3.08Å; T708-I712 WeakPolarHBondContact OG1-CB 3.13Å; T708-I712 PolarHBondContact OG1-N 2.93Å; T708-I712 VanDerWaalsContact OG1-N 3.09Å; T708-I712 PolarHBondContact OG1-O 3.38Å; I712-R714 HydrophobicContact CG2-CG 3.9Å
713T92.8Very high89.1Confident5 Ų526.4 Ų26.43%0.03113%0.133CC..EExtended strand (participates in β ladder)trans-120119.8167.6-60.60000108.9Y634 V706 A707 V715 T730Y634-T713 PolarHBondContact N-O 2.96Å; Y634-T713 PolarHBondContact O-N 2.95Å; V706-T713 CarbonylContact O-C 3.53Å; V706-T713 VanDerWaalsContact O-CA 3.3Å; V706-T713 WeakPolarHBondContact O-CA 3.27Å; A707-T713 HydrophobicContact CB-CG2 4.35Å; T713-V715 HydrophobicContact CG2-CG2 4.44Å; T713-T730 WeakPolarHBondContact OG1-CG2 3.46Å
714R92.4Very high88.8Confident0 Ų027.1 Ų27.10%014%0.135CC..EExtended strand (participates in β ladder)trans-109.6133.9175.6-71.3-163.1168.71436.2111.1T621 Y632 T633 A683 T686 F705 V706 I712T621-R714 PolarHBondContact O-NH2 2.86Å; T621-R714 VanDerWaalsContact O-NH2 3.14Å; Y632-R714 WeakPolarHBondContact O-CA 3.43Å; T633-R714 HydrophobicContact CG2-CG 4.11Å; T633-R714 PolarHBondContact OG1-NE 3.41Å; A683-R714 PolarHBondContact O-NH1 3.29Å; A683-R714 PolarHBondContact O-NH2 3.24Å; A683-R714 VanDerWaalsContact O-NH2 3.07Å; T686-R714 PolarHBondContact OG1-NH1 3.37Å; F705-R714 CarbonylContact C-O 3.51Å; F705-R714 WeakPolarHBondContact CA-O 3.41Å; F705-R714 VanDerWaalsContact CB-O 3.32Å; F705-R714 WeakPolarHBondContact CB-O 3.5Å; V706-R714 HydrophobicContact CG1-CB 3.93Å; V706-R714 PolarHBondContact N-O 3.21Å; V706-R714 PolarHBondContact O-N 3.49Å; I712-R714 HydrophobicContact CG2-CG 3.9Å
715V92.6Very high88.2Confident0 Ų031 Ų310%016%0.161CC..EExtended strand (participates in β ladder)trans-122129.6178.1-1730000109.6G631 Y632 Y634 A703 R704 F705 T713 A720 W724G631-V715 CarbonylContact C-O 3.59Å; G631-V715 WeakPolarHBondContact CA-O 3.01Å; Y632-V715 PolarHBondContact N-O 2.81Å; Y632-V715 PolarHBondContact O-N 2.65Å; Y634-V715 HydrophobicContact CE2-CG2 4.44Å; A703-V715 HydrophobicContact CB-CG1 4.16Å; R704-V715 CarbonylContact O-C 3.57Å; R704-V715 WeakPolarHBondContact O-CA 3.34Å; F705-V715 HydrophobicContact CB-CG2 4.11Å; T713-V715 HydrophobicContact CG2-CG2 4.44Å; V715-A720 HydrophobicContact CG1-CB 4.41Å; V715-W724 HydrophobicContact CG1-CE3 4.22Å; V715-W724 HydrophobicContact CG2-CB 4.5Å; V715-W724 HydrophobicContact CG2-CD2 3.82Å; V715-W724 HydrophobicContact CG2-CE3 3.9Å; V715-W724 HydrophobicContact CG2-CG 4.08Å; V715-W724 HydrophobicContact CG2-CZ3 4.43Å
716Y90.6Very high87.6Confident49 Ų4933.7 Ų33.719%0.19217%0.174CC..EExtended strand (participates in β ladder)trans-126.2132.8179.6-177.4-85.4000110.3V690 W693 A703 R704V690-Y716 HydrophobicContact CG1-CD2 3.84Å; V690-Y716 HydrophobicContact CG1-CE2 4.26Å; W693-Y716 HydrophobicContact CE3-CG 4.44Å; A703-Y716 CarbonylContact C-O 3.48Å; A703-Y716 WeakPolarHBondContact CA-O 3.45Å; R704-Y716 PolarHBondContact N-O 2.81Å; R704-Y716 PolarHBondContact O-N 3.23Å
717P89.2Confident87.1Confident47 Ų4737.2 Ų37.231%0.30519%0.192SC..SBendcis-79.5174-0.134-36.4000113.1S719 A720 G721P717-S719 VanDerWaalsContact C-N 3.3Å; P717-S719 PolarHBondContact O-N 2.91Å; P717-A720 HydrophobicContact CG-CB 4.42Å; P717-A720 PolarHBondContact O-N 3.37Å; P717-A720 VanDerWaalsContact O-N 3.14Å; P717-G721 PolarHBondContact O-N 3.2Å
718R86.9Confident86.7Confident90 Ų9038.6 Ų38.634%0.3420%0.202SC..Hα-helixtrans-52.2-42.9-179.2176.4-179.8175.3154.76.1113.9D628 Y632 A720 G721 E722D628-R718 WeakPolarHBondContact OD1-CD 2.96Å; D628-R718 IonicContact OD1-CZ 2.78Å; D628-R718 IonicContact OD1-NE 3.69Å; D628-R718 IonicContact OD1-NH1 3.42Å; D628-R718 PolarHBondContact OD1-NH1 2.7Å; D628-R718 IonicContact OD2-NH1 3.16Å; Y632-R718 HydrophobicContact CD2-CG 4.45Å; R718-A720 VanDerWaalsContact C-N 3.29Å; R718-A720 PolarHBondContact O-N 3.12Å; R718-G721 WeakPolarHBondContact O-CA 3.34Å; R718-G721 PolarHBondContact O-N 3.47Å; R718-E722 IonicContact NE-OE1 3.39Å; R718-E722 PolarHBondContact NE-OE1 3.24Å; R718-E722 IonicContact NH2-OE1 2.67Å; R718-E722 PolarHBondContact O-N 3.3Å; R718-E722 VanDerWaalsContact O-N 3.14Å
719S86.4Confident86.5Confident77 Ų7738.9 Ų38.954%0.53820%0.203SC..Hα-helixtrans-57.9-42-179.4550000112.2P717 G721 E722P717-S719 VanDerWaalsContact C-N 3.3Å; P717-S719 PolarHBondContact O-N 2.91Å; S719-G721 PolarHBondContact O-N 2.85Å; S719-E722 PolarHBondContact O-N 3.3Å
720A85.3Confident86.5Confident7 Ų737.9 Ų37.96%0.05820%0.198CC..Hα-helixtrans-73.2-19177.200000113.1A703 V715 P717 R718A703-A720 HydrophobicContact CB-CB 3.59Å; V715-A720 HydrophobicContact CG1-CB 4.41Å; P717-A720 HydrophobicContact CG-CB 4.42Å; P717-A720 PolarHBondContact O-N 3.37Å; P717-A720 VanDerWaalsContact O-N 3.14Å; R718-A720 VanDerWaalsContact C-N 3.29Å; R718-A720 PolarHBondContact O-N 3.12Å
721G82.8Confident86.7Confident0 Ų038.1 Ų38.10%020%0.198CC..Hα-helixtrans-73.6-38.4171.700000112.5Y634 P717 R718 S719 E723 W724Y634-G721 PolarHBondContact OH-O 2.81Å; P717-G721 PolarHBondContact O-N 3.2Å; R718-G721 WeakPolarHBondContact O-CA 3.34Å; R718-G721 PolarHBondContact O-N 3.47Å; S719-G721 PolarHBondContact O-N 2.85Å; G721-E723 PolarHBondContact O-N 3.13Å; G721-W724 WeakPolarHBondContact O-CB 3.36Å; G721-W724 PolarHBondContact O-N 3.29Å; G721-W724 VanDerWaalsContact O-N 3.11Å
722E81.9Confident86.6Confident119 Ų11941.1 Ų41.156%0.55621%0.214SC*.Hα-helixtrans-65.5-29.2177.9-68.4176.4-173.500112.4Y632 R718 S719 W724Y632-E722 HydrophobicContact CD2-CG 4.2Å; Y632-E722 HydrophobicContact CE2-CG 4.1Å; R718-E722 IonicContact NE-OE1 3.39Å; R718-E722 PolarHBondContact NE-OE1 3.24Å; R718-E722 IonicContact NH2-OE1 2.67Å; R718-E722 PolarHBondContact O-N 3.3Å; R718-E722 VanDerWaalsContact O-N 3.14Å; S719-E722 PolarHBondContact O-N 3.3Å; E722-W724 VanDerWaalsContact C-N 3.32Å
723E79.6Confident86.5Confident117 Ų11741.3 Ų41.355%0.54722%0.215SC..THydrogen-bonded Turntrans-89.511.1175.7-64.1171.8-17600113.2G721 T725G721-E723 PolarHBondContact O-N 3.13Å; E723-T725 PolarHBondContact O-N 2.77Å
724W83.1Confident86.4Confident16 Ų1641.1 Ų41.16%0.06121%0.214CC..  trans-79.1117.4-178.2-174.3-96.2000111.6Y634 F705 V715 G721 E722 E726 F735 L764 K786Y634-W724 HydrophobicContact CE2-CB 3.95Å; Y634-W724 AromaticContact CE2-CD1 3.83Å; Y634-W724 HydrophobicContact CE2-CG 4.08Å; F705-W724 HydrophobicContact CB-CH2 4.31Å; F705-W724 HydrophobicContact CB-CZ3 4.43Å; F705-W724 AromaticContact CD1-CH2 3.76Å; F705-W724 HydrophobicContact CD1-CH2 3.76Å; F705-W724 AromaticContact CD1-CZ3 3.99Å; F705-W724 HydrophobicContact CD1-CZ3 3.99Å; F705-W724 HydrophobicContact CD2-CH2 4.06Å; F705-W724 HydrophobicContact CE1-CH2 4.06Å; F705-W724 HydrophobicContact CE2-CH2 4.33Å; F705-W724 AromaticContact CG-CH2 3.75Å; F705-W724 HydrophobicContact CG-CH2 3.75Å; F705-W724 HydrophobicContact CG-CZ3 4.19Å; F705-W724 HydrophobicContact CZ-CH2 4.32Å; V715-W724 HydrophobicContact CG1-CE3 4.22Å; V715-W724 HydrophobicContact CG2-CB 4.5Å; V715-W724 HydrophobicContact CG2-CD2 3.82Å; V715-W724 HydrophobicContact CG2-CE3 3.9Å; V715-W724 HydrophobicContact CG2-CG 4.08Å; V715-W724 HydrophobicContact CG2-CZ3 4.43Å; G721-W724 WeakPolarHBondContact O-CB 3.36Å; G721-W724 PolarHBondContact O-N 3.29Å; G721-W724 VanDerWaalsContact O-N 3.11Å; E722-W724 VanDerWaalsContact C-N 3.32Å; W724-E726 HydrophobicContact CH2-CG 4.19Å; W724-E726 HydrophobicContact CZ2-CB 3.78Å; W724-E726 HydrophobicContact CZ2-CG 3.53Å; W724-F735 HydrophobicContact CZ2-CE1 4.18Å; W724-F735 HydrophobicContact CZ2-CZ 4.17Å; W724-L764 HydrophobicContact CH2-CD1 3.88Å; W724-L764 HydrophobicContact CZ3-CD1 4.18Å; W724-K786 HydrophobicContact CE3-CD 4.44Å; W724-K786 HydrophobicContact CZ3-CD 4.09Å; W724-K786 VanDerWaalsContact CZ3-CE 3.47Å; W724-K786 HydrophobicContact CZ3-CG 4.39Å
725T79.9Confident86.3Confident99 Ų9941.5 Ų41.561%0.60722%0.216SC*.  trans-97-12.4-172.851.20000114.7E723E723-T725 PolarHBondContact O-N 2.77Å
726E82Confident86.3Confident55 Ų5541.6 Ų41.626%0.25722%0.216SC..SBendtrans-74.7154.3-176.1-54.5-73.1154.100111.9W724 F735W724-E726 HydrophobicContact CH2-CG 4.19Å; W724-E726 HydrophobicContact CZ2-CB 3.78Å; W724-E726 HydrophobicContact CZ2-CG 3.53Å; E726-F735 HydrophobicContact CB-CE1 3.92Å; E726-F735 HydrophobicContact CG-CD1 4.18Å; E726-F735 HydrophobicContact CG-CE1 3.7Å
727N83.8Confident86.4Confident74 Ų7441.1 Ų41.140%0.39622%0.215SC..  trans-60.5128.9178.9-170.2-17.8000111E729N727-E729 PolarHBondContact O-N 2.91Å; N727-E729 PolarHBondContact OD1-N 2.77Å
728P85.9Confident86.5Confident31 Ų3139 Ų3920%0.20120%0.201CC..SBendtrans-64.9-23.5175.725.8-36000113.9Y634 T730Y634-P728 HydrophobicContact CD1-CB 4.03Å; P728-T730 PolarHBondContact O-N 3.49Å
729E89Confident86.8Confident7 Ų734.7 Ų34.73%0.03319%0.185CC..  trans-74.2109.6172.3-177.861.6-124.500110A636 R638 N727 Y731 D732 S733A636-E729 WeakPolarHBondContact CB-OE2 3.38Å; R638-E729 WeakPolarHBondContact CG-OE2 3.42Å; R638-E729 IonicContact CZ-OE1 3.93Å; R638-E729 IonicContact NE-OE1 3.84Å; R638-E729 PolarHBondContact NE-OE1 3.27Å; R638-E729 IonicContact NE-OE2 2.95Å; R638-E729 IonicContact NH2-OE1 2.93Å; R638-E729 PolarHBondContact NH2-OE1 2.81Å; N727-E729 PolarHBondContact O-N 2.91Å; N727-E729 PolarHBondContact OD1-N 2.77Å; E729-Y731 PolarHBondContact O-N 2.85Å; E729-D732 HydrophobicContact CB-CB 4.33Å; E729-D732 HydrophobicContact CG-CB 4.27Å; E729-D732 PolarHBondContact O-N 3.19Å; E729-D732 VanDerWaalsContact O-N 3.08Å; E729-S733 PolarHBondContact O-N 3.08Å
730T88.4Confident87.1Confident1 Ų131.1 Ų31.11%0.00616%0.16CC..THydrogen-bonded Turntrans-63.2-26.1-176.355.90000112.9R638 A707 T708 T713 P728 D732R638-T730 PolarHBondContact NH2-OG1 2.88Å; A707-T730 HydrophobicContact CB-CG2 4.27Å; T708-T730 WeakPolarHBondContact O-CG2 3.47Å; T708-T730 PolarHBondContact O-OG1 3.08Å; T713-T730 WeakPolarHBondContact OG1-CG2 3.46Å; P728-T730 PolarHBondContact O-N 3.49Å; T730-D732 VanDerWaalsContact C-N 3.33Å
731Y88.6Confident87.3Confident6 Ų632.2 Ų32.22%0.02417%0.165CC..THydrogen-bonded Turntrans-79.5-14.9179.2-72.19.6000113.9R476 F477 P481 D709 E729 K737R476-Y731 HydrophobicContact CG-CD2 4.35Å; R476-Y731 HydrophobicContact CG-CE2 4.4Å; F477-Y731 AromaticContact CD1-CE2 3.9Å; F477-Y731 HydrophobicContact CD1-CE2 3.9Å; F477-Y731 PolarHBondContact O-OH 3.24Å; P481-Y731 HydrophobicContact CB-CD1 3.69Å; P481-Y731 HydrophobicContact CB-CE1 4.2Å; P481-Y731 HydrophobicContact CB-CG 4.02Å; P481-Y731 HydrophobicContact CG-CD1 4.44Å; D709-Y731 WeakPolarHBondContact OD1-CE1 3.19Å; D709-Y731 VanDerWaalsContact OD1-CZ 3.27Å; D709-Y731 PolarHBondContact OD1-OH 2.98Å; E729-Y731 PolarHBondContact O-N 2.85Å; Y731-K737 WeakPolarHBondContact O-CE 3.47Å; Y731-K737 PolarHBondContact O-NZ 2.99Å; Y731-K737 VanDerWaalsContact O-NZ 3.12Å
732D86.6Confident87.6Confident63 Ų6333.8 Ų33.834%0.33717%0.173SC..THydrogen-bonded Turntrans-102.9-5177-62.9-20.4000111.4R476 E729 T730R476-D732 IonicContact NH1-OD1 3.65Å; E729-D732 HydrophobicContact CB-CB 4.33Å; E729-D732 HydrophobicContact CG-CB 4.27Å; E729-D732 PolarHBondContact O-N 3.19Å; E729-D732 VanDerWaalsContact O-N 3.08Å; T730-D732 VanDerWaalsContact C-N 3.33Å
733S88.6Confident87.8Confident4 Ų435.3 Ų35.33%0.02818%0.18CC..  trans-74.2125.2177.6174.50000112.3E729 F735 Y736 K737E729-S733 PolarHBondContact O-N 3.08Å; S733-F735 WeakPolarHBondContact OG-CD1 3.47Å; S733-F735 WeakPolarHBondContact OG-CE1 3.35Å; S733-F735 WeakPolarHBondContact OG-CZ 3.44Å; S733-Y736 PolarHBondContact O-N 3.24Å; S733-K737 PolarHBondContact O-N 3.15Å
734S90.1Very high88.3Confident2 Ų232.3 Ų32.31%0.01417%0.167CC..Hα-helixtrans-62.2-53.8178174.10000112.2D570 Y736 K737 R738D570-S734 WeakPolarHBondContact OD1-CB 3.48Å; D570-S734 WeakPolarHBondContact OD2-CB 3.35Å; D570-S734 PolarHBondContact OD2-OG 2.85Å; S734-Y736 PolarHBondContact O-N 2.94Å; S734-K737 PolarHBondContact O-N 2.84Å; S734-R738 WeakPolarHBondContact O-CG 3.35Å; S734-R738 PolarHBondContact O-N 2.76Å; S734-R738 VanDerWaalsContact O-N 3.15Å
735F91.3Very high88.7Confident7 Ų731.9 Ų31.93%0.03117%0.166CC..Hα-helixtrans-59.6-34-178.673.2-98.9000112.2F705 A707 W724 E726 S733 T739 L764F705-F735 HydrophobicContact CE2-CD2 4.3Å; F705-F735 AromaticContact CE2-CE2 3.59Å; F705-F735 HydrophobicContact CE2-CE2 3.59Å; F705-F735 HydrophobicContact CE2-CZ 4.05Å; F705-F735 HydrophobicContact CZ-CD2 4.45Å; F705-F735 HydrophobicContact CZ-CE2 4.14Å; A707-F735 HydrophobicContact CB-CE2 4.47Å; W724-F735 HydrophobicContact CZ2-CE1 4.18Å; W724-F735 HydrophobicContact CZ2-CZ 4.17Å; E726-F735 HydrophobicContact CB-CE1 3.92Å; E726-F735 HydrophobicContact CG-CD1 4.18Å; E726-F735 HydrophobicContact CG-CE1 3.7Å; S733-F735 WeakPolarHBondContact OG-CD1 3.47Å; S733-F735 WeakPolarHBondContact OG-CE1 3.35Å; S733-F735 WeakPolarHBondContact OG-CZ 3.44Å; F735-T739 VanDerWaalsContact O-CB 3.22Å; F735-T739 WeakPolarHBondContact O-CB 3.43Å; F735-T739 PolarHBondContact O-N 3.32Å; F735-T739 VanDerWaalsContact O-N 3.1Å; F735-T739 PolarHBondContact O-OG1 3.02Å; F735-L764 HydrophobicContact CB-CD2 3.89Å; F735-L764 HydrophobicContact CD1-CD2 3.77Å; F735-L764 HydrophobicContact CD2-CD2 4.25Å; F735-L764 HydrophobicContact CE1-CD2 4.39Å; F735-L764 HydrophobicContact CG-CD2 3.7Å
736Y92.9Very high89.4Confident2 Ų227.1 Ų27.11%0.00814%0.137CC..Hα-helixtrans-63.8-48.5179.8-165.5-93.8000111.3P481 A707 D709 S733 S734 T739 L740 V782P481-Y736 HydrophobicContact CB-CD1 4.28Å; P481-Y736 HydrophobicContact CB-CE1 4.45Å; P481-Y736 HydrophobicContact CG-CD1 3.83Å; P481-Y736 HydrophobicContact CG-CE1 3.71Å; A707-Y736 HydrophobicContact CB-CD2 3.7Å; A707-Y736 HydrophobicContact CB-CE2 3.79Å; A707-Y736 WeakPolarHBondContact O-CE2 3.43Å; D709-Y736 PolarHBondContact N-OH 3.29Å; S733-Y736 PolarHBondContact O-N 3.24Å; S734-Y736 PolarHBondContact O-N 2.94Å; Y736-T739 PolarHBondContact O-N 3.11Å; Y736-L740 HydrophobicContact CD1-CD1 3.87Å; Y736-L740 HydrophobicContact CD1-CG 4.49Å; Y736-L740 HydrophobicContact CE1-CD1 3.64Å; Y736-L740 HydrophobicContact CE1-CG 4.35Å; Y736-L740 WeakPolarHBondContact O-CG 3.23Å; Y736-L740 PolarHBondContact O-N 3.31Å; Y736-V782 HydrophobicContact CD2-CB 3.69Å; Y736-V782 HydrophobicContact CD2-CG2 3.57Å; Y736-V782 HydrophobicContact CE2-CB 3.64Å; Y736-V782 HydrophobicContact CE2-CG2 3.46Å; Y736-V782 VanDerWaalsContact CE2-CG2 3.46Å; Y736-V782 HydrophobicContact CG-CG2 4.2Å
737K91.9Very high89.9Confident40 Ų4024.6 Ų24.617%0.17413%0.125CC..Hα-helixtrans-62-47.5178.9-67.9-177.4-173.2174.40112.4P481 N482 Y731 S733 S734 T739 L740 D741P481-K737 HydrophobicContact CB-CG 4.35Å; N482-K737 PolarHBondContact ND2-O 3.47Å; N482-K737 VanDerWaalsContact ND2-O 3.11Å; N482-K737 WeakPolarHBondContact OD1-CA 3.36Å; N482-K737 WeakPolarHBondContact OD1-CB 3.33Å; N482-K737 VanDerWaalsContact OD1-CG 3.3Å; N482-K737 WeakPolarHBondContact OD1-CG 3.28Å; Y731-K737 WeakPolarHBondContact O-CE 3.47Å; Y731-K737 PolarHBondContact O-NZ 2.99Å; Y731-K737 VanDerWaalsContact O-NZ 3.12Å; S733-K737 PolarHBondContact O-N 3.15Å; S734-K737 PolarHBondContact O-N 2.84Å; K737-T739 VanDerWaalsContact C-N 3.3Å; K737-T739 PolarHBondContact O-N 3.42Å; K737-L740 PolarHBondContact O-N 2.88Å; K737-D741 PolarHBondContact O-N 3.37Å
738R92.1Very high90.3Very high1 Ų121.5 Ų21.50%0.00411%0.109CC..Hα-helixtrans-58.5-43.6179.6-65.4-168.171.2-155.7-5112.3T568 D575 S734 L740 D741 N742 D826T568-R738 HydrophobicContact CG2-CG 3.48Å; T568-R738 VanDerWaalsContact CG2-CG 3.48Å; D575-R738 IonicContact OD1-NE 3.95Å; D575-R738 IonicContact OD1-NH2 2.9Å; D575-R738 PolarHBondContact OD1-NH2 2.93Å; D575-R738 VanDerWaalsContact OD2-CG 3.23Å; D575-R738 WeakPolarHBondContact OD2-CG 3.34Å; D575-R738 IonicContact OD2-CZ 2.58Å; D575-R738 IonicContact OD2-NE 2.99Å; D575-R738 PolarHBondContact OD2-NE 2.69Å; D575-R738 IonicContact OD2-NH2 2.84Å; S734-R738 WeakPolarHBondContact O-CG 3.35Å; S734-R738 PolarHBondContact O-N 2.76Å; S734-R738 VanDerWaalsContact O-N 3.15Å; R738-L740 VanDerWaalsContact C-N 3.3Å; R738-L740 PolarHBondContact O-N 2.93Å; R738-D741 PolarHBondContact O-N 3.4Å; R738-N742 PolarHBondContact O-N 3.05Å; R738-N742 PolarHBondContact O-ND2 2.87Å; R738-D826 IonicContact NH2-OD1 3.81Å; R738-D826 PolarHBondContact NH2-OD1 3.16Å; R738-D826 IonicContact NH2-OD2 3.79Å; R738-D826 PolarHBondContact NH2-OD2 2.66Å
739T93.3Very high90.4Very high0 Ų020.1 Ų20.10%010%0.1CC..Hα-helixtrans-74.3-21.6-175.2-65.30000112.9F735 Y736 K737 S766 A768 V782F735-T739 VanDerWaalsContact O-CB 3.22Å; F735-T739 WeakPolarHBondContact O-CB 3.43Å; F735-T739 PolarHBondContact O-N 3.32Å; F735-T739 VanDerWaalsContact O-N 3.1Å; F735-T739 PolarHBondContact O-OG1 3.02Å; Y736-T739 PolarHBondContact O-N 3.11Å; K737-T739 VanDerWaalsContact C-N 3.3Å; K737-T739 PolarHBondContact O-N 3.42Å; T739-S766 PolarHBondContact OG1-OG 3.05Å; T739-A768 HydrophobicContact CG2-CB 4.2Å; T739-A768 WeakPolarHBondContact O-CB 3.28Å; T739-V782 HydrophobicContact CG2-CG1 3.68Å; T739-V782 HydrophobicContact CG2-CG2 4.19Å
740L92.1Very high90.2Very high3 Ų320.7 Ų20.72%0.01610%0.104CC..Hα-helixtrans-75-35.6172.9-71174.1000113P481 Y600 Y736 K737 R738 N742 A768 K779 V782P481-L740 HydrophobicContact CG-CD1 3.3Å; Y600-L740 HydrophobicContact CE2-CB 4.24Å; Y600-L740 WeakPolarHBondContact OH-CB 3.28Å; Y736-L740 HydrophobicContact CD1-CD1 3.87Å; Y736-L740 HydrophobicContact CD1-CG 4.49Å; Y736-L740 HydrophobicContact CE1-CD1 3.64Å; Y736-L740 HydrophobicContact CE1-CG 4.35Å; Y736-L740 WeakPolarHBondContact O-CG 3.23Å; Y736-L740 PolarHBondContact O-N 3.31Å; K737-L740 PolarHBondContact O-N 2.88Å; R738-L740 VanDerWaalsContact C-N 3.3Å; R738-L740 PolarHBondContact O-N 2.93Å; L740-N742 VanDerWaalsContact C-N 3.33Å; L740-A768 HydrophobicContact CD2-CB 4.11Å; L740-K779 HydrophobicContact CD2-CB 3.68Å; L740-K779 HydrophobicContact CD2-CD 4.12Å; L740-K779 PolarHBondContact O-NZ 3.49Å; L740-V782 HydrophobicContact CD2-CG2 4.14Å; L740-V782 HydrophobicContact CG-CG2 4.34Å
741D89Confident89.5Confident30 Ų3024 Ų2416%0.1613%0.127CC..Hα-helixtrans-73.2-29.5178.9-74.6-24.2000111.7N482 R579 Y600 K737 R738N482-D741 PolarHBondContact ND2-OD1 3.17Å; N482-D741 PolarHBondContact ND2-OD2 3.01Å; R579-D741 IonicContact CZ-OD1 3.65Å; R579-D741 IonicContact CZ-OD2 2.83Å; R579-D741 IonicContact NH2-OD1 2.82Å; R579-D741 PolarHBondContact NH2-OD1 3.37Å; R579-D741 VanDerWaalsContact NH2-OD1 3.16Å; R579-D741 IonicContact NH2-OD2 3.78Å; R579-D741 PolarHBondContact NH2-OD2 3.45Å; Y600-D741 PolarHBondContact OH-OD1 3.04Å; Y600-D741 VanDerWaalsContact OH-OD1 3.12Å; K737-D741 PolarHBondContact O-N 3.37Å; R738-D741 PolarHBondContact O-N 3.4Å
742N89.1Confident88.2Confident33 Ų3327.5 Ų27.518%0.17614%0.142CC..  trans-97.4142.8-178.4-70.6-71.6000112.7D575 R738 L740 I744 I746D575-N742 PolarHBondContact OD1-ND2 2.81Å; R738-N742 PolarHBondContact O-N 3.05Å; R738-N742 PolarHBondContact O-ND2 2.87Å; L740-N742 VanDerWaalsContact C-N 3.33Å; N742-I744 HydrophobicContact CB-CG1 4Å; N742-I746 HydrophobicContact CB-CD1 3.72Å; N742-I746 HydrophobicContact CB-CG1 3.99Å
743E86.4Confident86.8Confident150 Ų15031.6 Ų31.670%0.70117%0.165SC*.SBendtrans-92.3-10.4172.7-62.8-176.4173.900112.8
744I90.8Very high85.1Confident55 Ų5534.2 Ų34.228%0.28218%0.183SC..SBendtrans-88.5168.6-178.357167000112N742 I746 N981 N983N742-I744 HydrophobicContact CB-CG1 4Å; I744-I746 HydrophobicContact CD1-CD1 4.06Å; I744-I746 HydrophobicContact CG1-CD1 3.88Å; I744-I746 PolarHBondContact O-N 3.23Å; I744-N981 WeakPolarHBondContact CB-O 3.45Å; I744-N983 HydrophobicContact CD1-CB 4.2Å
745Y92.1Very high83Confident6 Ų644.7 Ų44.72%0.02423%0.228CC..BIsolated β-bridgetrans-72.4122.3169.7-82-78.2000110.5V19 A22 D23 V765 K767 N981 T982 N983V19-Y745 HydrophobicContact CG1-CD2 4.15Å; V19-Y745 HydrophobicContact CG1-CE2 3.84Å; V19-Y745 HydrophobicContact CG2-CD2 4.19Å; A22-Y745 HydrophobicContact CB-CD1 4.07Å; A22-Y745 HydrophobicContact CB-CE1 3.75Å; D23-Y745 VanDerWaalsContact CG-OH 3.28Å; D23-Y745 PolarHBondContact OD1-OH 3.49Å; Y745-V765 HydrophobicContact CD1-CG1 3.93Å; Y745-K767 HydrophobicContact CD1-CB 3.77Å; Y745-K767 HydrophobicContact CD1-CD 4.03Å; Y745-K767 HydrophobicContact CD1-CG 4.46Å; Y745-K767 HydrophobicContact CD2-CD 4.09Å; Y745-K767 HydrophobicContact CE1-CB 3.56Å; Y745-K767 HydrophobicContact CE1-CD 3.53Å; Y745-K767 HydrophobicContact CE1-CG 4.18Å; Y745-K767 HydrophobicContact CE2-CD 3.6Å; Y745-K767 HydrophobicContact CG-CD 4.28Å; Y745-K767 WeakPolarHBondContact OH-CD 3.45Å; Y745-N981 PolarHBondContact N-O 2.85Å; Y745-T982 WeakPolarHBondContact O-CA 3.33Å; Y745-N983 PolarHBondContact O-N 3.07Å; Y745-N983 PolarHBondContact O-OD1 2.76Å
746I94.1Very high81Confident0 Ų049.9 Ų49.90%025%0.252CS..EExtended strand (participates in β ladder)trans-98.3122.1179-60.3-58000109.8N742 I744 V765 S766 N983N742-I746 HydrophobicContact CB-CD1 3.72Å; N742-I746 HydrophobicContact CB-CG1 3.99Å; I744-I746 HydrophobicContact CD1-CD1 4.06Å; I744-I746 HydrophobicContact CG1-CD1 3.88Å; I744-I746 PolarHBondContact O-N 3.23Å; I746-V765 CarbonylContact O-C 3.53Å; I746-V765 WeakPolarHBondContact O-CA 3.46Å; I746-S766 PolarHBondContact N-O 3.45Å; I746-S766 PolarHBondContact O-N 3.37Å; I746-N983 HydrophobicContact CD1-CB 4.18Å
747F93.1Very high79.1Confident2 Ų253.2 Ų53.21%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-98.7124.6171.6-68.2-107.5000108.6L18 I763 L764 V765 L787 L831 T982 N983 L984L18-F747 HydrophobicContact CD2-CE1 4.5Å; F747-I763 HydrophobicContact CD1-CG2 4.37Å; F747-L764 WeakPolarHBondContact CA-O 3.36Å; F747-V765 HydrophobicContact CD1-CG2 3.46Å; F747-V765 VanDerWaalsContact CD1-CG2 3.46Å; F747-V765 HydrophobicContact CE1-CB 4.48Å; F747-V765 HydrophobicContact CE1-CG1 4.28Å; F747-V765 HydrophobicContact CE1-CG2 3.38Å; F747-V765 HydrophobicContact CE2-CG1 4.19Å; F747-V765 HydrophobicContact CG-CG2 4.15Å; F747-V765 HydrophobicContact CZ-CG1 4.07Å; F747-V765 HydrophobicContact CZ-CG2 4.02Å; F747-L787 HydrophobicContact CE1-CD1 4.06Å; F747-L831 HydrophobicContact CB-CD1 3.96Å; F747-T982 HydrophobicContact CE2-CG2 3.78Å; F747-N983 PolarHBondContact N-OD1 2.99Å; F747-N983 PolarHBondContact O-ND2 3.48Å; F747-L984 HydrophobicContact CB-CD2 3.74Å; F747-L984 HydrophobicContact CB-CG 4.36Å; F747-L984 HydrophobicContact CD1-CD1 3.94Å; F747-L984 HydrophobicContact CD1-CD2 4.43Å; F747-L984 HydrophobicContact CD2-CD1 3.78Å; F747-L984 HydrophobicContact CD2-CD2 4.14Å; F747-L984 HydrophobicContact CD2-CG 3.8Å; F747-L984 HydrophobicContact CE1-CD1 3.97Å; F747-L984 HydrophobicContact CE2-CD1 3.82Å; F747-L984 HydrophobicContact CE2-CG 4.24Å; F747-L984 HydrophobicContact CG-CD1 3.87Å; F747-L984 HydrophobicContact CG-CD2 3.86Å; F747-L984 HydrophobicContact CG-CG 3.99Å; F747-L984 HydrophobicContact CZ-CD1 3.92Å
748T91Very high77.3Confident9 Ų952.4 Ų52.46%0.05527%0.272CS..EExtended strand (participates in β ladder)trans-109.4127.1179.4-52.90000109.6Y573 L764Y573-T748 HydrophobicContact CE2-CG2 4.46Å; T748-L764 PolarHBondContact N-O 2.91Å
749A88.2Confident75.5Confident2 Ų256.6 Ų56.62%0.01730%0.302CS..PPolyproline II helixtrans-71.7139.5177.700000111.7R572 Y573 F829 L831R572-A749 PolarHBondContact NH1-O 3.44Å; Y573-A749 PolarHBondContact OH-N 3.01Å; A749-F829 HydrophobicContact CB-CB 3.64Å; A749-F829 HydrophobicContact CB-CG 4.19Å; A749-L831 VanDerWaalsContact CA-CD2 3.47Å; A749-L831 HydrophobicContact CB-CD2 3.56Å
750P84.3Confident73.8Confident19 Ų1962.7 Ų62.712%0.12333%0.331CS..PPolyproline II helixtrans-66.9154.5174.329.8-34.2000110.7V758 I842 G843P750-V758 HydrophobicContact CG-CG1 3.9Å; P750-I842 HydrophobicContact CG-CG2 3.92Å; P750-G843 WeakPolarHBondContact O-CA 3.35Å
751S74.8Confident72.3Confident69 Ų6964 Ų6448%0.48334%0.34SS..PPolyproline II helixtrans-78.1124.3178.9-65.10000111.1N753 S754S751-N753 VanDerWaalsContact C-N 3.33Å; S751-N753 PolarHBondContact O-N 3.26Å; S751-S754 PolarHBondContact O-OG 3.01Å
752F61.8Low71.9Confident80 Ų8062.9 Ų62.935%0.35134%0.336SS..THydrogen-bonded Turntrans-65.7-25.5-173.6-177.6-106.8000115.2S840 L841 Q844F752-S840 WeakPolarHBondContact CE2-O 3.4Å; F752-L841 HydrophobicContact CE2-CD2 4.09Å; F752-L841 HydrophobicContact CZ-CD2 4.13Å; F752-Q844 HydrophobicContact CD2-CB 3.98Å; F752-Q844 HydrophobicContact CE2-CB 4.3Å; F752-Q844 HydrophobicContact CG-CB 4.22Å
753N56.9Low71.8Confident150 Ų15061.3 Ų61.380%0.80233%0.327SS*.THydrogen-bonded Turntrans-104.811.9-171.9-95.3-11.3000115.3S751S751-N753 VanDerWaalsContact C-N 3.33Å; S751-N753 PolarHBondContact O-N 3.26Å
754S51.2Low72Confident58 Ų5854.7 Ų54.741%0.40630%0.296SS..SBendtrans-67140.7169.648.20000109.7S751 E756S751-S754 PolarHBondContact O-OG 3.01Å; S754-E756 PolarHBondContact O-N 2.94Å
755K47.4Very low72.1Confident223 Ų22352.1 Ų52.197%0.9728%0.283SS*.SBendtrans-60-1.8178.2-69.9178.6177.5175.30114.3
756E49.4Very low72.3Confident115 Ų11551.8 Ų51.854%0.53728%0.282SS..SBendtrans-105.2143-175.4-69.9176.4-179.300111.5S754 V758S754-E756 PolarHBondContact O-N 2.94Å; E756-V758 PolarHBondContact O-N 3.34Å
757P52.7Low72.3Confident72 Ų7254.5 Ų54.547%0.46829%0.294SS..  trans-66.2128.5179.526.3-31.9000111.9S759 E760P757-S759 PolarHBondContact O-N 2.98Å; P757-E760 HydrophobicContact CG-CG 4.49Å; P757-E760 PolarHBondContact O-N 2.98Å; P757-E760 VanDerWaalsContact O-N 3.07Å
758V54.8Low72.3Confident23 Ų2354.7 Ų54.714%0.13930%0.296CS..Hα-helixtrans-51.6-30.5179.8-177.70000113P750 E756 E760 S761 I842P750-V758 HydrophobicContact CG-CG1 3.9Å; E756-V758 PolarHBondContact O-N 3.34Å; V758-E760 PolarHBondContact O-N 2.02Å; V758-S761 PolarHBondContact O-N 3.33Å; V758-S761 PolarHBondContact O-OG 2.92Å; V758-I842 HydrophobicContact CG1-CB 3.99Å; V758-I842 HydrophobicContact CG1-CG2 3.93Å
759S52.6Low72.4Confident90 Ų9054.6 Ų54.663%0.62930%0.295SS*.Hα-helixtrans-58-28.1179.1-480000114.7P757P757-S759 PolarHBondContact O-N 2.98Å
760E57.4Low72.5Confident128 Ų12857.1 Ų57.160%0.59831%0.308SS*.Hα-helixtrans-93.7-32.1179.5-69.3178.4167.600111.9P757 V758 G762P757-E760 HydrophobicContact CG-CG 4.49Å; P757-E760 PolarHBondContact O-N 2.98Å; P757-E760 VanDerWaalsContact O-N 3.07Å; V758-E760 PolarHBondContact O-N 2.02Å; E760-G762 PolarHBondContact O-N 2.94Å
761S61.7Low72.8Confident30 Ų3056.2 Ų56.221%0.2130%0.302CS..Hα-helixtrans-66.3-29.5-173.166.60000115.5V758V758-S761 PolarHBondContact O-N 3.33Å; V758-S761 PolarHBondContact O-OG 2.92Å
762G79.4Confident73.5Confident7 Ų756.8 Ų56.87%0.07230%0.303CS..  trans66.6165-178.800000114.5E760 L787E760-G762 PolarHBondContact O-N 2.94Å; G762-L787 VanDerWaalsContact CA-O 3.25Å; G762-L787 WeakPolarHBondContact CA-O 3.11Å
763I88.1Confident74.7Confident0 Ų053.7 Ų53.70%029%0.29CS..EExtended strand (participates in β ladder)trans-94.7129.2176.4-64.7166.1000109.1F747 K786 L787 V789 W792 L831F747-I763 HydrophobicContact CD1-CG2 4.37Å; I763-K786 CarbonylContact O-C 3.6Å; I763-K786 WeakPolarHBondContact O-CA 3.47Å; I763-L787 PolarHBondContact N-O 3.31Å; I763-L787 VanDerWaalsContact N-O 3.14Å; I763-L787 PolarHBondContact O-N 2.94Å; I763-V789 HydrophobicContact CD1-CG2 3.92Å; I763-V789 HydrophobicContact CG1-CG2 3.91Å; I763-W792 HydrophobicContact CD1-CE3 3.82Å; I763-W792 HydrophobicContact CD1-CZ3 3.5Å; I763-W792 VanDerWaalsContact CD1-CZ3 3.5Å; I763-L831 HydrophobicContact CD1-CB 4.26Å; I763-L831 HydrophobicContact CD1-CD2 4.42Å; I763-L831 WeakPolarHBondContact CD1-O 3.47Å; I763-L831 HydrophobicContact CG2-CD2 4.16Å
764L90.5Very high75.9Confident10 Ų1053.7 Ų53.75%0.05229%0.29CS..EExtended strand (participates in β ladder)trans-83.2126.8-178.2-167.776.9000110.5F705 W724 F735 F747 T748 K786F705-L764 HydrophobicContact CD1-CD1 4.06Å; F705-L764 HydrophobicContact CE1-CD1 3.22Å; F705-L764 HydrophobicContact CE1-CG 4.04Å; F705-L764 HydrophobicContact CZ-CD1 3.66Å; F705-L764 HydrophobicContact CZ-CD2 4.35Å; F705-L764 HydrophobicContact CZ-CG 4.09Å; W724-L764 HydrophobicContact CH2-CD1 3.88Å; W724-L764 HydrophobicContact CZ3-CD1 4.18Å; F735-L764 HydrophobicContact CB-CD2 3.89Å; F735-L764 HydrophobicContact CD1-CD2 3.77Å; F735-L764 HydrophobicContact CD2-CD2 4.25Å; F735-L764 HydrophobicContact CE1-CD2 4.39Å; F735-L764 HydrophobicContact CG-CD2 3.7Å; F747-L764 WeakPolarHBondContact CA-O 3.36Å; T748-L764 PolarHBondContact N-O 2.91Å; L764-K786 HydrophobicContact CD1-CG 3.75Å
765V93.7Very high77.4Confident1 Ų160.6 Ų60.61%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-118.3131.3172.4-174.40000108.7A22 Y745 I746 F747 G784 V785 L787A22-V765 HydrophobicContact CB-CG1 4.33Å; Y745-V765 HydrophobicContact CD1-CG1 3.93Å; I746-V765 CarbonylContact O-C 3.53Å; I746-V765 WeakPolarHBondContact O-CA 3.46Å; F747-V765 HydrophobicContact CD1-CG2 3.46Å; F747-V765 VanDerWaalsContact CD1-CG2 3.46Å; F747-V765 HydrophobicContact CE1-CB 4.48Å; F747-V765 HydrophobicContact CE1-CG1 4.28Å; F747-V765 HydrophobicContact CE1-CG2 3.38Å; F747-V765 HydrophobicContact CE2-CG1 4.19Å; F747-V765 HydrophobicContact CG-CG2 4.15Å; F747-V765 HydrophobicContact CZ-CG1 4.07Å; F747-V765 HydrophobicContact CZ-CG2 4.02Å; V765-G784 CarbonylContact O-C 3.57Å; V765-G784 WeakPolarHBondContact O-CA 3.46Å; V765-V785 PolarHBondContact N-O 3.49Å; V765-V785 PolarHBondContact O-N 3.33Å; V765-L787 HydrophobicContact CG2-CD1 3.53Å; V765-L787 HydrophobicContact CG2-CG 3.86Å
766S94.6Very high79.3Confident0 Ų052 Ų520%028%0.278CS..EExtended strand (participates in β ladder)trans-138.9152.4-178.562.20000112.9T739 I746 V783T739-S766 PolarHBondContact OG1-OG 3.05Å; I746-S766 PolarHBondContact N-O 3.45Å; I746-S766 PolarHBondContact O-N 3.37Å; S766-V783 CarbonylContact C-O 3.54Å; S766-V783 WeakPolarHBondContact CA-O 3.44Å
767K94.5Very high81.1Confident57 Ų5751 Ų5125%0.24828%0.275CS..EExtended strand (participates in β ladder)trans-147.6138.7175.7-177.8168.5179.1177.70111.2Y745 V783Y745-K767 HydrophobicContact CD1-CB 3.77Å; Y745-K767 HydrophobicContact CD1-CD 4.03Å; Y745-K767 HydrophobicContact CD1-CG 4.46Å; Y745-K767 HydrophobicContact CD2-CD 4.09Å; Y745-K767 HydrophobicContact CE1-CB 3.56Å; Y745-K767 HydrophobicContact CE1-CD 3.53Å; Y745-K767 HydrophobicContact CE1-CG 4.18Å; Y745-K767 HydrophobicContact CE2-CD 3.6Å; Y745-K767 HydrophobicContact CG-CD 4.28Å; Y745-K767 WeakPolarHBondContact OH-CD 3.45Å; K767-V783 PolarHBondContact N-O 3.19Å; K767-V783 PolarHBondContact O-N 3.26Å
768A94.2Very high82.9Confident6 Ų647.8 Ų47.85%0.0525%0.254CS..EExtended strand (participates in β ladder)trans-76146.2174.700000110.9T739 L740 K779 V782T739-A768 HydrophobicContact CG2-CB 4.2Å; T739-A768 WeakPolarHBondContact O-CB 3.28Å; L740-A768 HydrophobicContact CD2-CB 4.11Å; A768-K779 HydrophobicContact CB-CD 4.06Å; A768-V782 HydrophobicContact CB-CG2 4.43Å
769I92.9Very high84.6Confident6 Ų648.2 Ų48.23%0.03125%0.254CS..  trans-86.9117.7174.7-62-62.2000109.1L31 K779 P780 A781 V783L31-I769 HydrophobicContact CB-CD1 4.49Å; L31-I769 HydrophobicContact CD2-CD1 4.29Å; L31-I769 HydrophobicContact CD2-CG1 3.89Å; I769-K779 WeakPolarHBondContact O-CA 3.31Å; I769-P780 WeakPolarHBondContact O-CD 3.5Å; I769-A781 WeakPolarHBondContact CB-O 3.37Å; I769-A781 HydrophobicContact CG1-CB 4.46Å; I769-A781 WeakPolarHBondContact CG1-O 3.26Å; I769-A781 PolarHBondContact N-O 2.88Å; I769-V783 HydrophobicContact CD1-CB 4.48Å; I769-V783 HydrophobicContact CD1-CG1 3.94Å; I769-V783 HydrophobicContact CD1-CG2 3.7Å; I769-V783 HydrophobicContact CG1-CG1 4.11Å; I769-V783 HydrophobicContact CG1-CG2 4.38Å
770D90.3Very high86.5Confident55 Ų5544.1 Ų44.129%0.29423%0.225SC..  trans-89.9115.5173.9-61.5-45.3000110.3M777 K779D770-M777 HydrophobicContact CB-CE 4.01Å; D770-K779 WeakPolarHBondContact OD1-CE 3.39Å; D770-K779 IonicContact OD1-NZ 3.81Å
771L89.6Confident88.2Confident0 Ų038 Ų380%020%0.197CC..EExtended strand (participates in β ladder)trans-114.6127.8179.9-176.466.6000109.8T32 F35 L36 I773 M777 L778 P780T32-L771 HydrophobicContact CG2-CD1 4.01Å; F35-L771 HydrophobicContact CB-CD1 3.99Å; F35-L771 HydrophobicContact CB-CD2 3.91Å; F35-L771 HydrophobicContact CD1-CD2 4.16Å; F35-L771 HydrophobicContact CG-CD2 4.16Å; L36-L771 HydrophobicContact CD2-CD1 3.79Å; L36-L771 HydrophobicContact CG-CD1 3.93Å; L771-I773 HydrophobicContact CD1-CG1 4.47Å; L771-I773 HydrophobicContact CD2-CD1 3.75Å; L771-I773 HydrophobicContact CD2-CG1 4.23Å; L771-I773 HydrophobicContact CG-CD1 4.11Å; L771-I773 HydrophobicContact CG-CG1 4.01Å; L771-M777 CarbonylContact O-C 3.55Å; L771-M777 WeakPolarHBondContact O-CA 2.99Å; L771-L778 HydrophobicContact CB-CB 4.35Å; L771-L778 PolarHBondContact N-O 3Å; L771-L778 PolarHBondContact O-N 3.34Å; L771-P780 HydrophobicContact CB-CG 4.5Å; L771-P780 HydrophobicContact CD2-CG 4.3Å
772V89.6Confident89.8Confident82 Ų8236.6 Ų36.650%0.49719%0.187SC..EExtended strand (participates in β ladder)trans-112.4113.4177.3-163.70000109.6V776 M777V772-V776 WeakPolarHBondContact CA-O 3.03Å; V772-M777 HydrophobicContact CB-SD 4.28Å; V772-M777 HydrophobicContact CG1-SD 4.2Å; V772-M777 HydrophobicContact CG2-CE 4.1Å; V772-M777 HydrophobicContact CG2-SD 3.34Å; V772-M777 WeakPolarHBondContact CG2-SD 3.3Å
773I86.4Confident90.6Very high15 Ų1536.4 Ų36.48%0.07718%0.184CC..EExtended strand (participates in β ladder)trans-124.4126175.9-58.7178000107.5Y42 V44 L771 K775 V776 L778Y42-I773 HydrophobicContact CE2-CD1 3.7Å; V44-I773 HydrophobicContact CG2-CD1 4.15Å; V44-I773 HydrophobicContact CG2-CG2 4.37Å; L771-I773 HydrophobicContact CD1-CG1 4.47Å; L771-I773 HydrophobicContact CD2-CD1 3.75Å; L771-I773 HydrophobicContact CD2-CG1 4.23Å; L771-I773 HydrophobicContact CG-CD1 4.11Å; L771-I773 HydrophobicContact CG-CG1 4.01Å; I773-K775 PolarHBondContact O-N 2.98Å; I773-V776 PolarHBondContact N-O 3.4Å; I773-V776 WeakPolarHBondContact O-CA 3.1Å; I773-V776 WeakPolarHBondContact O-CB 3.5Å; I773-V776 PolarHBondContact O-N 3.43Å; I773-L778 HydrophobicContact CD1-CD1 4.45Å
774D82.7Confident90.8Very high150 Ų15036.4 Ų36.480%0.80218%0.184SC*.THydrogen-bonded Turntrans50.536.6176.5-61-33.6000114.9V776D774-V776 PolarHBondContact O-N 3.34Å
775K83.2Confident90.9Very high203 Ų20335.9 Ų35.988%0.88318%0.181SC*.THydrogen-bonded Turntrans70.29.6-175.8-49.9174.5179.7174.90115.4I773I773-K775 PolarHBondContact O-N 2.98Å
776V86.9Confident90.8Very high41 Ų4136.8 Ų36.825%0.24819%0.185CC..EExtended strand (participates in β ladder)trans-96.2132.9171.6179.10000109.5N603 V772 I773 D774 L778N603-V776 HydrophobicContact CB-CG1 3.73Å; N603-V776 VanDerWaalsContact CG-CG1 3.5Å; N603-V776 WeakPolarHBondContact ND2-CG1 3.3Å; V772-V776 WeakPolarHBondContact CA-O 3.03Å; I773-V776 PolarHBondContact N-O 3.4Å; I773-V776 WeakPolarHBondContact O-CA 3.1Å; I773-V776 WeakPolarHBondContact O-CB 3.5Å; I773-V776 PolarHBondContact O-N 3.43Å; D774-V776 PolarHBondContact O-N 3.34Å; V776-L778 HydrophobicContact CG1-CD2 4.42Å; V776-L778 HydrophobicContact CG1-CG 4.34Å
777M87.6Confident90.5Very high95 Ų9537.1 Ų37.147%0.46819%0.187SC..EExtended strand (participates in β ladder)trans-89.2131.9173.2-66.2-66.9-58.100109.9D770 L771 V772D770-M777 HydrophobicContact CB-CE 4.01Å; L771-M777 CarbonylContact O-C 3.55Å; L771-M777 WeakPolarHBondContact O-CA 2.99Å; V772-M777 HydrophobicContact CB-SD 4.28Å; V772-M777 HydrophobicContact CG1-SD 4.2Å; V772-M777 HydrophobicContact CG2-CE 4.1Å; V772-M777 HydrophobicContact CG2-SD 3.34Å; V772-M777 WeakPolarHBondContact CG2-SD 3.3Å
778L89.6Confident90.2Very high5 Ų537.3 Ų37.33%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-132.1146.1177.2-67.6170.3000110.1V44 N603 I605 L771 I773 V776V44-L778 HydrophobicContact CG1-CD1 3.95Å; V44-L778 HydrophobicContact CG1-CD2 4.4Å; V44-L778 HydrophobicContact CG2-CD1 3.73Å; N603-L778 HydrophobicContact CB-CD2 3.69Å; N603-L778 WeakPolarHBondContact O-CD2 3.21Å; I605-L778 HydrophobicContact CD1-CD1 4.39Å; I605-L778 HydrophobicContact CG1-CD1 4.05Å; L771-L778 HydrophobicContact CB-CB 4.35Å; L771-L778 PolarHBondContact N-O 3Å; L771-L778 PolarHBondContact O-N 3.34Å; I773-L778 HydrophobicContact CD1-CD1 4.45Å; V776-L778 HydrophobicContact CG1-CD2 4.42Å; V776-L778 HydrophobicContact CG1-CG 4.34Å
779K91.9Very high89.7Confident32 Ų3237.6 Ų37.614%0.13919%0.192CC..  trans-12181.6173.4-63.6-171.4-179.4-165.50111.3Y600 L740 A768 I769 D770Y600-K779 HydrophobicContact CD1-CD 4.47Å; Y600-K779 HydrophobicContact CD2-CB 4.49Å; Y600-K779 HydrophobicContact CD2-CD 4.28Å; Y600-K779 HydrophobicContact CD2-CG 4.5Å; Y600-K779 HydrophobicContact CG-CD 4.2Å; L740-K779 HydrophobicContact CD2-CB 3.68Å; L740-K779 HydrophobicContact CD2-CD 4.12Å; L740-K779 PolarHBondContact O-NZ 3.49Å; A768-K779 HydrophobicContact CB-CD 4.06Å; I769-K779 WeakPolarHBondContact O-CA 3.31Å; D770-K779 WeakPolarHBondContact OD1-CE 3.39Å; D770-K779 IonicContact OD1-NZ 3.81Å
780P91.3Very high89.2Confident4 Ų441.5 Ų41.53%0.02622%0.22CC..  trans-81.9-21.1-169.331.5-36.2000114.9F35 I605 D709 I769 L771F35-P780 HydrophobicContact CD1-CG 4.42Å; F35-P780 HydrophobicContact CD2-CG 4.41Å; F35-P780 HydrophobicContact CE1-CB 3.95Å; F35-P780 HydrophobicContact CE1-CG 4.02Å; F35-P780 HydrophobicContact CE2-CG 4.04Å; F35-P780 HydrophobicContact CZ-CB 3.86Å; F35-P780 HydrophobicContact CZ-CG 3.83Å; I605-P780 HydrophobicContact CD1-CB 3.84Å; D709-P780 WeakPolarHBondContact CB-O 3.43Å; D709-P780 PolarHBondContact N-O 3.38Å; I769-P780 WeakPolarHBondContact O-CD 3.5Å; L771-P780 HydrophobicContact CB-CG 4.5Å; L771-P780 HydrophobicContact CD2-CG 4.3Å
781A93.6Very high88.9Confident0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-152.3156.6-173.900000111.6L31 V706 A707 T708 I769L31-A781 HydrophobicContact CD2-CB 4.14Å; V706-A781 HydrophobicContact CG2-CB 4.35Å; A707-A781 WeakPolarHBondContact O-CA 3.43Å; T708-A781 HydrophobicContact CG2-CB 4.13Å; I769-A781 WeakPolarHBondContact CB-O 3.37Å; I769-A781 HydrophobicContact CG1-CB 4.46Å; I769-A781 WeakPolarHBondContact CG1-O 3.26Å; I769-A781 PolarHBondContact N-O 2.88Å
782V95.4Very high88.7Confident0 Ų043.9 Ų43.90%023%0.227CC..EExtended strand (participates in β ladder)trans-116.1124.6172173.90000107.9V706 A707 Y736 T739 L740 A768V706-V782 WeakPolarHBondContact CA-O 3.29Å; A707-V782 PolarHBondContact N-O 2.6Å; A707-V782 PolarHBondContact O-N 2.94Å; Y736-V782 HydrophobicContact CD2-CB 3.69Å; Y736-V782 HydrophobicContact CD2-CG2 3.57Å; Y736-V782 HydrophobicContact CE2-CB 3.64Å; Y736-V782 HydrophobicContact CE2-CG2 3.46Å; Y736-V782 VanDerWaalsContact CE2-CG2 3.46Å; Y736-V782 HydrophobicContact CG-CG2 4.2Å; T739-V782 HydrophobicContact CG2-CG1 3.68Å; T739-V782 HydrophobicContact CG2-CG2 4.19Å; L740-V782 HydrophobicContact CD2-CG2 4.14Å; L740-V782 HydrophobicContact CG-CG2 4.34Å; A768-V782 HydrophobicContact CB-CG2 4.43Å
783V94.9Very high88.4Confident2 Ų240.5 Ų40.51%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-103150.7174.5-66.30000109.6T26 L31 L689 V706 S766 K767 I769T26-V783 HydrophobicContact CG2-CB 4.43Å; T26-V783 HydrophobicContact CG2-CG2 4.18Å; L31-V783 HydrophobicContact CD2-CG1 3.63Å; L689-V783 HydrophobicContact CD2-CG1 4.44Å; V706-V783 HydrophobicContact CB-CG1 4.37Å; V706-V783 HydrophobicContact CG2-CG1 4.04Å; S766-V783 CarbonylContact C-O 3.54Å; S766-V783 WeakPolarHBondContact CA-O 3.44Å; K767-V783 PolarHBondContact N-O 3.19Å; K767-V783 PolarHBondContact O-N 3.26Å; I769-V783 HydrophobicContact CD1-CB 4.48Å; I769-V783 HydrophobicContact CD1-CG1 3.94Å; I769-V783 HydrophobicContact CD1-CG2 3.7Å; I769-V783 HydrophobicContact CG1-CG1 4.11Å; I769-V783 HydrophobicContact CG1-CG2 4.38Å
784G93.9Very high88.2Confident0 Ų042.3 Ų42.30%022%0.22CC..EExtended strand (participates in β ladder)trans-165.3174178.300000114.8F705 V765F705-G784 VanDerWaalsContact CD1-C 3.43Å; F705-G784 WeakPolarHBondContact CD1-O 3.48Å; F705-G784 PolarHBondContact N-O 3.15Å; F705-G784 PolarHBondContact O-N 3.39Å; V765-G784 CarbonylContact O-C 3.57Å; V765-G784 WeakPolarHBondContact O-CA 3.46Å
785V92.8Very high88.1Confident0 Ų037.2 Ų37.20%020%0.196CC..EExtended strand (participates in β ladder)trans-140.2139.4-174.7176.40000108.5A25 T26 T701 A703 R704 V765 L787A25-V785 HydrophobicContact CB-CG1 4.37Å; A25-V785 HydrophobicContact CB-CG2 3.57Å; T26-V785 HydrophobicContact CG2-CG2 3.57Å; T701-V785 HydrophobicContact CG2-CG1 3.59Å; A703-V785 CarbonylContact O-C 3.54Å; A703-V785 VanDerWaalsContact O-CA 3.31Å; A703-V785 WeakPolarHBondContact O-CA 3.19Å; R704-V785 HydrophobicContact CG-CG2 4.21Å; V765-V785 PolarHBondContact N-O 3.49Å; V765-V785 PolarHBondContact O-N 3.33Å; V785-L787 HydrophobicContact CG1-CD2 3.93Å
786K90.3Very high87.9Confident20 Ų2027.9 Ų27.99%0.08716%0.155CC..EExtended strand (participates in β ladder)trans-90.4117.5163-74.1-173.3165.1-170.80109.1V702 A703 W724 I763 L764V702-K786 HydrophobicContact CB-CB 4.22Å; V702-K786 PolarHBondContact N-O 3.14Å; A703-K786 HydrophobicContact CB-CB 3.97Å; A703-K786 HydrophobicContact CB-CD 4.18Å; A703-K786 HydrophobicContact CB-CG 4.26Å; A703-K786 PolarHBondContact O-N 3.21Å; W724-K786 HydrophobicContact CE3-CD 4.44Å; W724-K786 HydrophobicContact CZ3-CD 4.09Å; W724-K786 VanDerWaalsContact CZ3-CE 3.47Å; W724-K786 HydrophobicContact CZ3-CG 4.39Å; I763-K786 CarbonylContact O-C 3.6Å; I763-K786 WeakPolarHBondContact O-CA 3.47Å; L764-K786 HydrophobicContact CD1-CG 3.75Å
787L89.1Confident87.5Confident6 Ų626.9 Ų26.93%0.03115%0.148CC..EExtended strand (participates in β ladder)trans-85.5141.2-179.7-64.6-179.4000111.6L18 L21 F747 G762 I763 V765 V785 V789L18-L787 HydrophobicContact CD2-CD1 4.49Å; L21-L787 HydrophobicContact CD2-CD2 3.39Å; F747-L787 HydrophobicContact CE1-CD1 4.06Å; G762-L787 VanDerWaalsContact CA-O 3.25Å; G762-L787 WeakPolarHBondContact CA-O 3.11Å; I763-L787 PolarHBondContact N-O 3.31Å; I763-L787 VanDerWaalsContact N-O 3.14Å; I763-L787 PolarHBondContact O-N 2.94Å; V765-L787 HydrophobicContact CG2-CD1 3.53Å; V765-L787 HydrophobicContact CG2-CG 3.86Å; V785-L787 HydrophobicContact CG1-CD2 3.93Å; L787-V789 PolarHBondContact O-N 2.67Å
788N87.4Confident87.1Confident62 Ų6227.7 Ų27.733%0.33216%0.155SC..  trans-78.1114.1170.4-174.8-42.7000109.6G700 V702 S790 F791 W792G700-N788 PolarHBondContact O-N 3.05Å; V702-N788 HydrophobicContact CG2-CB 3.83Å; N788-S790 VanDerWaalsContact C-N 3.3Å; N788-S790 PolarHBondContact O-N 3.17Å; N788-S790 WeakPolarHBondContact OD1-CB 3.45Å; N788-S790 PolarHBondContact OD1-N 3.02Å; N788-F791 HydrophobicContact CB-CB 4.07Å; N788-F791 PolarHBondContact O-N 3.34Å; N788-F791 PolarHBondContact OD1-N 3.13Å; N788-W792 WeakPolarHBondContact O-CB 3.23Å; N788-W792 PolarHBondContact O-N 2.75Å
789V84.3Confident86.4Confident12 Ų1228.2 Ų28.27%0.07316%0.159CC..Hα-helixtrans-57.3-41.7-177.3-178.10000112I763 L787 W792 M793 I842I763-V789 HydrophobicContact CD1-CG2 3.92Å; I763-V789 HydrophobicContact CG1-CG2 3.91Å; L787-V789 PolarHBondContact O-N 2.67Å; V789-W792 PolarHBondContact O-N 3.44Å; V789-M793 VanDerWaalsContact O-CB 3.29Å; V789-M793 WeakPolarHBondContact O-CB 3.28Å; V789-M793 PolarHBondContact O-N 2.99Å; V789-I842 HydrophobicContact CG1-CD1 3.63Å
790S83Confident85.5Confident88 Ų8826.7 Ų26.762%0.61515%0.153SC*.Hα-helixtrans-67.8-41.3-177.9-64.30000112N788 S794N788-S790 VanDerWaalsContact C-N 3.3Å; N788-S790 PolarHBondContact O-N 3.17Å; N788-S790 WeakPolarHBondContact OD1-CB 3.45Å; N788-S790 PolarHBondContact OD1-N 3.02Å; S790-S794 PolarHBondContact O-N 3.25Å; S790-S794 VanDerWaalsContact O-N 3.13Å
791F84.1Confident84.5Confident87 Ų8729.9 Ų29.938%0.38217%0.169SC..Hα-helixtrans-65.9-47.2176.5-175.8-91.1000110.5D699 N788 M793 S794 S795D699-F791 HydrophobicContact CB-CZ 4.34Å; N788-F791 HydrophobicContact CB-CB 4.07Å; N788-F791 PolarHBondContact O-N 3.34Å; N788-F791 PolarHBondContact OD1-N 3.13Å; F791-M793 VanDerWaalsContact C-N 3.34Å; F791-M793 PolarHBondContact O-N 3.46Å; F791-S794 PolarHBondContact O-N 2.77Å; F791-S794 VanDerWaalsContact O-N 3.16Å; F791-S794 PolarHBondContact O-OG 2.58Å; F791-S795 PolarHBondContact O-N 2.84Å
792W85.1Confident83Confident18 Ų1835.9 Ų35.97%0.06820%0.196CC..Hα-helixtrans-59.8-44.1179.1-177.534.9000112.2L18 I763 N788 V789 S794 S795 F796 I823 L831 M832 L984L18-W792 HydrophobicContact CD1-CZ2 3.82Å; L18-W792 HydrophobicContact CD2-CZ2 4.12Å; I763-W792 HydrophobicContact CD1-CE3 3.82Å; I763-W792 HydrophobicContact CD1-CZ3 3.5Å; I763-W792 VanDerWaalsContact CD1-CZ3 3.5Å; N788-W792 WeakPolarHBondContact O-CB 3.23Å; N788-W792 PolarHBondContact O-N 2.75Å; V789-W792 PolarHBondContact O-N 3.44Å; W792-S794 VanDerWaalsContact C-N 3.33Å; W792-S794 PolarHBondContact O-N 2.82Å; W792-S795 WeakPolarHBondContact O-CB 3.49Å; W792-S795 PolarHBondContact O-N 2.88Å; W792-F796 WeakPolarHBondContact O-CB 3.31Å; W792-F796 PolarHBondContact O-N 2.85Å; W792-I823 HydrophobicContact CH2-CD1 4.15Å; W792-I823 HydrophobicContact CH2-CG2 4.35Å; W792-I823 HydrophobicContact CZ2-CD1 3.85Å; W792-L831 HydrophobicContact CZ3-CB 4.36Å; W792-M832 HydrophobicContact CD2-SD 4.44Å; W792-M832 HydrophobicContact CE3-CB 4.37Å; W792-M832 HydrophobicContact CE3-CG 4.49Å; W792-M832 HydrophobicContact CH2-CB 4.22Å; W792-M832 HydrophobicContact CZ3-CB 3.87Å; W792-M832 HydrophobicContact CZ3-CG 4.46Å; W792-L984 HydrophobicContact CZ2-CD1 4.5Å
793M82.4Confident81.1Confident11 Ų1143.6 Ų43.65%0.05424%0.236CC..Hα-helixtrans-59.7-42.2175.5-174.6-177.9-177.100112.2V789 F791 S795 F796 I797 R814 S833 I839V789-M793 VanDerWaalsContact O-CB 3.29Å; V789-M793 WeakPolarHBondContact O-CB 3.28Å; V789-M793 PolarHBondContact O-N 2.99Å; F791-M793 VanDerWaalsContact C-N 3.34Å; F791-M793 PolarHBondContact O-N 3.46Å; M793-S795 VanDerWaalsContact C-N 3.33Å; M793-S795 PolarHBondContact O-N 2.96Å; M793-F796 PolarHBondContact O-N 3.15Å; M793-I797 HydrophobicContact CE-CD1 4Å; M793-I797 HydrophobicContact CG-CD1 3.9Å; M793-I797 WeakPolarHBondContact O-CG1 3.22Å; M793-I797 PolarHBondContact O-N 2.88Å; M793-R814 HydrophobicContact CE-CG 4.29Å; M793-S833 WeakPolarHBondContact CE-O 3.47Å; M793-I839 HydrophobicContact CE-CD1 4.02Å; M793-I839 HydrophobicContact SD-CD1 3.78Å; M793-I839 HydrophobicContact SD-CG1 4.47Å
794S82.3Confident79.1Confident53 Ų5351.3 Ų51.337%0.37128%0.277SS..Hα-helixtrans-64.3-39.3177.376.50000112.1S790 F791 W792 N798S790-S794 PolarHBondContact O-N 3.25Å; S790-S794 VanDerWaalsContact O-N 3.13Å; F791-S794 PolarHBondContact O-N 2.77Å; F791-S794 VanDerWaalsContact O-N 3.16Å; F791-S794 PolarHBondContact O-OG 2.58Å; W792-S794 VanDerWaalsContact C-N 3.33Å; W792-S794 PolarHBondContact O-N 2.82Å; S794-N798 WeakPolarHBondContact O-CB 3.47Å; S794-N798 VanDerWaalsContact O-CG 3.25Å; S794-N798 PolarHBondContact O-N 3.26Å; S794-N798 VanDerWaalsContact O-N 3.09Å; S794-N798 PolarHBondContact O-ND2 2.83Å
795S80.8Confident77.3Confident43 Ų4353 Ų5330%0.30129%0.289SS..Hα-helixtrans-63.4-44.4174.1-159.50000110.9F791 W792 M793 N798 A799F791-S795 PolarHBondContact O-N 2.84Å; W792-S795 WeakPolarHBondContact O-CB 3.49Å; W792-S795 PolarHBondContact O-N 2.88Å; M793-S795 VanDerWaalsContact C-N 3.33Å; M793-S795 PolarHBondContact O-N 2.96Å; S795-N798 PolarHBondContact O-N 3.41Å; S795-A799 WeakPolarHBondContact O-CB 3.48Å; S795-A799 PolarHBondContact O-N 2.75Å
796F78.8Confident75.1Confident7 Ų762.1 Ų62.13%0.03133%0.328CS..Hα-helixtrans-62.3-46.6178.8174.1-89.6000112.8M14 W792 M793 N798 A799 T800 C812 I823 M832 F986M14-F796 HydrophobicContact CE-CE2 3.9Å; M14-F796 HydrophobicContact CG-CD2 4.46Å; M14-F796 HydrophobicContact SD-CD2 3.26Å; M14-F796 WeakPolarHBondContact SD-CD2 3.36Å; M14-F796 HydrophobicContact SD-CE2 3.11Å; M14-F796 WeakPolarHBondContact SD-CE2 3.49Å; M14-F796 HydrophobicContact SD-CG 4.4Å; M14-F796 HydrophobicContact SD-CZ 4.14Å; W792-F796 WeakPolarHBondContact O-CB 3.31Å; W792-F796 PolarHBondContact O-N 2.85Å; M793-F796 PolarHBondContact O-N 3.15Å; F796-N798 VanDerWaalsContact C-N 3.3Å; F796-N798 PolarHBondContact O-N 2.79Å; F796-A799 PolarHBondContact O-N 3.41Å; F796-T800 HydrophobicContact CE1-CG2 4.08Å; F796-T800 HydrophobicContact CE2-CG2 4.07Å; F796-T800 HydrophobicContact CZ-CG2 3.79Å; F796-T800 WeakPolarHBondContact O-CG2 3.44Å; F796-T800 PolarHBondContact O-N 3.47Å; F796-T800 PolarHBondContact O-OG1 3.45Å; F796-C812 HydrophobicContact CE1-CB 3.94Å; F796-I823 HydrophobicContact CD2-CD1 4.05Å; F796-I823 HydrophobicContact CE2-CD1 3.99Å; F796-I823 HydrophobicContact CE2-CG1 4.46Å; F796-M832 HydrophobicContact CB-CE 4.16Å; F796-M832 HydrophobicContact CB-SD 3.75Å; F796-M832 HydrophobicContact CD1-CE 3.32Å; F796-M832 HydrophobicContact CD1-SD 3.99Å; F796-M832 HydrophobicContact CD2-CE 3.45Å; F796-M832 VanDerWaalsContact CD2-CE 3.45Å; F796-M832 HydrophobicContact CD2-SD 3.98Å; F796-M832 HydrophobicContact CE1-CE 3.46Å; F796-M832 VanDerWaalsContact CE1-CE 3.46Å; F796-M832 HydrophobicContact CE2-CE 3.55Å; F796-M832 HydrophobicContact CG-CE 3.34Å; F796-M832 HydrophobicContact CG-SD 3.62Å; F796-M832 HydrophobicContact CZ-CE 3.6Å; F796-F986 HydrophobicContact CE2-CD2 4.13Å; F796-F986 AromaticContact CE2-CE2 3.91Å; F796-F986 HydrophobicContact CE2-CE2 3.91Å; F796-F986 HydrophobicContact CZ-CD2 4.16Å; F796-F986 AromaticContact CZ-CE2 3.49Å; F796-F986 HydrophobicContact CZ-CE2 3.49Å; F796-F986 VanDerWaalsContact CZ-CE2 3.49Å; F796-F986 HydrophobicContact CZ-CZ 4.13Å
797I79.3Confident73.1Confident20 Ų2069.5 Ų69.510%0.10337%0.368CS..Hα-helixtrans-61.9-43.4177.9-68.6161.7000109.7M793 A799 T800 L801 R814M793-I797 HydrophobicContact CE-CD1 4Å; M793-I797 HydrophobicContact CG-CD1 3.9Å; M793-I797 WeakPolarHBondContact O-CG1 3.22Å; M793-I797 PolarHBondContact O-N 2.88Å; I797-A799 PolarHBondContact O-N 3.08Å; I797-T800 PolarHBondContact O-N 3.33Å; I797-T800 PolarHBondContact O-OG1 3.5Å; I797-L801 HydrophobicContact CG2-CD1 3.57Å; I797-L801 HydrophobicContact CG2-CG 4.18Å; I797-L801 VanDerWaalsContact O-CB 3.26Å; I797-L801 WeakPolarHBondContact O-CB 3.17Å; I797-L801 WeakPolarHBondContact O-CD1 3.45Å; I797-L801 WeakPolarHBondContact O-CG 3.43Å; I797-L801 PolarHBondContact O-N 2.75Å; I797-R814 HydrophobicContact CD1-CB 3.99Å; I797-R814 HydrophobicContact CD1-CG 4.47Å
798N79.6Confident71.5Confident112 Ų11274.5 Ų74.560%0.59939%0.392SS*.Hα-helixtrans-64.1-37.9176.8-73.4-22.7000112.8S794 S795 F796 T800S794-N798 WeakPolarHBondContact O-CB 3.47Å; S794-N798 VanDerWaalsContact O-CG 3.25Å; S794-N798 PolarHBondContact O-N 3.26Å; S794-N798 VanDerWaalsContact O-N 3.09Å; S794-N798 PolarHBondContact O-ND2 2.83Å; S795-N798 PolarHBondContact O-N 3.41Å; F796-N798 VanDerWaalsContact C-N 3.3Å; F796-N798 PolarHBondContact O-N 2.79Å; N798-T800 VanDerWaalsContact C-N 3.34Å
799A73.3Confident70.1Confident15 Ų1574.4 Ų74.412%0.12439%0.391CS..Hα-helixtrans-68.9-31.7178.300000112.8M14 S795 F796 I797M14-A799 HydrophobicContact CG-CB 4.13Å; S795-A799 WeakPolarHBondContact O-CB 3.48Å; S795-A799 PolarHBondContact O-N 2.75Å; F796-A799 PolarHBondContact O-N 3.41Å; I797-A799 PolarHBondContact O-N 3.08Å
800T73.4Confident68.9Low0 Ų075.9 Ų75.90%040%0.401CS..Hα-helixtrans-90.3-14.1-18057.30000113.7W10 M14 F796 I797 N798 G811W10-T800 HydrophobicContact CD2-CG2 4.48Å; W10-T800 HydrophobicContact CE3-CG2 4.32Å; W10-T800 WeakPolarHBondContact CZ2-O 3.36Å; M14-T800 HydrophobicContact SD-CG2 3.86Å; F796-T800 HydrophobicContact CE1-CG2 4.08Å; F796-T800 HydrophobicContact CE2-CG2 4.07Å; F796-T800 HydrophobicContact CZ-CG2 3.79Å; F796-T800 WeakPolarHBondContact O-CG2 3.44Å; F796-T800 PolarHBondContact O-N 3.47Å; F796-T800 PolarHBondContact O-OG1 3.45Å; I797-T800 PolarHBondContact O-N 3.33Å; I797-T800 PolarHBondContact O-OG1 3.5Å; N798-T800 VanDerWaalsContact C-N 3.34Å; T800-G811 VanDerWaalsContact O-CA 3.25Å; T800-G811 WeakPolarHBondContact O-CA 2.91Å
801L70.4Confident68.2Low72 Ų7271.7 Ų71.738%0.37737%0.372SS..  trans-77.1128.8-179.2-93.5166.8000112.8I797 L813I797-L801 HydrophobicContact CG2-CD1 3.57Å; I797-L801 HydrophobicContact CG2-CG 4.18Å; I797-L801 VanDerWaalsContact O-CB 3.26Å; I797-L801 WeakPolarHBondContact O-CB 3.17Å; I797-L801 WeakPolarHBondContact O-CD1 3.45Å; I797-L801 WeakPolarHBondContact O-CG 3.43Å; I797-L801 PolarHBondContact O-N 2.75Å; L801-L813 HydrophobicContact CD2-CD2 3.4Å; L801-L813 HydrophobicContact CD2-CG 4.46Å; L801-L813 HydrophobicContact CG-CD2 4.35Å
802K62Low67.8Low126 Ų12667.6 Ų67.655%0.54835%0.354SS..  trans-111.9135.5169.4-162.9177.3-179-179.90111.9C810K802-C810 PolarHBondContact N-O 3.23Å
803L55Low67.6Low162 Ų16270.1 Ų70.185%0.84837%0.368SS*.SBendtrans-75.4129.8169.4-81.5121.2000110.8
804N54Low67.5Low163 Ų16376.5 Ų76.587%0.87239%0.392SS*.  trans69.578.1-179.8-62.1-30.5000116.1
805C55.9Low67.5Low37 Ų3777.1 Ų77.125%0.2539%0.391CS..  trans-113.5125.816419.10000110.4C810C805-C810 HydrophobicContact CB-CB 4.15Å; C805-C810 WeakPolarHBondContact CB-SG 3.45Å; C805-C810 WeakPolarHBondContact SG-CA 3.49Å; C805-C810 WeakPolarHBondContact SG-CB 3.05Å; C805-C810 CovalentContact SG-SG 2.03Å; C805-C810 PolarHBondContact SG-SG 2.76Å
806K45.9Very low67.5Low191 Ų19176.6 Ų76.683%0.8339%0.385SS*.SBendtrans-118.6120.4168.1-75.4-178.9175.9-178.30105.3E808K806-E808 PolarHBondContact O-N 2.94Å
807D48.7Very low67.5Low174 Ų17484.5 Ų84.593%0.9342%0.419SS*.SBendtrans69.711.5174.2-47.3-37.8000117.9
808E56.2Low67.5Low111 Ų11190 Ų9052%0.51944%0.444SS..SBendtrans-125.5154.7170.5-68-173171.400111.7R6 K806 C810R6-E808 IonicContact CZ-OE2 3.32Å; R6-E808 VanDerWaalsContact CZ-OE2 3.24Å; R6-E808 IonicContact NH1-OE2 3.72Å; R6-E808 PolarHBondContact NH1-OE2 3.37Å; R6-E808 IonicContact NH2-OE2 2.92Å; R6-E808 PolarHBondContact NH2-OE2 3.29Å; K806-E808 PolarHBondContact O-N 2.94Å; E808-C810 PolarHBondContact O-N 3.47Å; E808-C810 VanDerWaalsContact O-N 3.1Å
809I58.3Low67.7Low61 Ų6185 Ų8531%0.31342%0.418SS..  trans-52.1116.7173.4-62.3170.1000109.1L3 G811 V819L3-I809 HydrophobicContact CD1-CB 4.36Å; L3-I809 HydrophobicContact CD1-CD1 4.01Å; L3-I809 HydrophobicContact CD2-CD1 4.15Å; I809-G811 VanDerWaalsContact C-N 3.33Å; I809-G811 PolarHBondContact O-N 3.19Å; I809-V819 HydrophobicContact CD1-CG2 4.37Å; I809-V819 HydrophobicContact CG2-CG2 4.34Å
810C58.3Low68.4Low43 Ų4384.7 Ų84.729%0.29141%0.414SS..  trans-79.5-10.5-170.3-92.40000115.5K802 C805 E808K802-C810 PolarHBondContact N-O 3.23Å; C805-C810 HydrophobicContact CB-CB 4.15Å; C805-C810 WeakPolarHBondContact CB-SG 3.45Å; C805-C810 WeakPolarHBondContact SG-CA 3.49Å; C805-C810 WeakPolarHBondContact SG-CB 3.05Å; C805-C810 CovalentContact SG-SG 2.03Å; C805-C810 PolarHBondContact SG-SG 2.76Å; E808-C810 PolarHBondContact O-N 3.47Å; E808-C810 VanDerWaalsContact O-N 3.1Å
811G67.7Low69.1Low0 Ų084.7 Ų84.70%041%0.414CS..  trans130.5177.9-168.500000110.4T800 I809 L813T800-G811 VanDerWaalsContact O-CA 3.25Å; T800-G811 WeakPolarHBondContact O-CA 2.91Å; I809-G811 VanDerWaalsContact C-N 3.33Å; I809-G811 PolarHBondContact O-N 3.19Å; G811-L813 PolarHBondContact O-N 2.82Å
812C75.8Confident70.1Confident0 Ų081.4 Ų81.40%040%0.397CS..  trans-8592.3172.6-58.90000108.6F796 C821 N834F796-C812 HydrophobicContact CE1-CB 3.94Å; C812-C821 HydrophobicContact CB-CB 3.61Å; C812-C821 WeakPolarHBondContact CB-SG 3.15Å; C812-C821 WeakPolarHBondContact SG-CB 3.32Å; C812-C821 CovalentContact SG-SG 2.03Å; C812-C821 PolarHBondContact SG-SG 3.32Å; C812-N834 PolarHBondContact O-OD1 3.46Å
813L80.4Confident71.5Confident71 Ų7175.5 Ų75.537%0.37237%0.371SS..  trans-82.4135.8179.3-72.4170000111.1L801 G811 N815 D816 N834L801-L813 HydrophobicContact CD2-CD2 3.4Å; L801-L813 HydrophobicContact CD2-CG 4.46Å; L801-L813 HydrophobicContact CG-CD2 4.35Å; G811-L813 PolarHBondContact O-N 2.82Å; L813-N815 PolarHBondContact O-N 2.88Å; L813-N815 VanDerWaalsContact O-N 3.15Å; L813-D816 HydrophobicContact CB-CB 4.26Å; L813-D816 WeakPolarHBondContact O-CB 3.5Å; L813-D816 PolarHBondContact O-N 3.03Å; L813-N834 PolarHBondContact O-ND2 2.96Å; L813-N834 PolarHBondContact O-OD1 3.39Å
814R81.6Confident73.4Confident145 Ų14567.8 Ų67.855%0.54733%0.331SS..THydrogen-bonded Turntrans-50.1123.5176.1-169.8171.6173.11580.5111.2M793 I797 N834 E836M793-R814 HydrophobicContact CE-CG 4.29Å; I797-R814 HydrophobicContact CD1-CB 3.99Å; I797-R814 HydrophobicContact CD1-CG 4.47Å; R814-N834 VanDerWaalsContact CA-OD1 3.24Å; R814-N834 WeakPolarHBondContact CA-OD1 3.49Å; R814-N834 PolarHBondContact N-OD1 3.47Å; R814-N834 VanDerWaalsContact N-OD1 3.17Å; R814-E836 IonicContact CZ-OE1 3.79Å; R814-E836 IonicContact NE-OE1 3.96Å; R814-E836 PolarHBondContact NE-OE1 2.93Å; R814-E836 IonicContact NH2-OE1 3.04Å; R814-E836 PolarHBondContact NH2-OE1 2.88Å
815N81.8Confident75.3Confident67 Ų6760 Ų6036%0.35829%0.289SS..THydrogen-bonded Turntrans55.544.5-174.4-63.5-17.4000114.8L813 N834 E836L813-N815 PolarHBondContact O-N 2.88Å; L813-N815 VanDerWaalsContact O-N 3.15Å; N815-N834 PolarHBondContact N-O 3.36Å; N815-N834 VanDerWaalsContact N-O 3.14Å; N815-E836 PolarHBondContact ND2-OE2 2.75Å; N815-E836 WeakPolarHBondContact OD1-CG 3.2Å; N815-E836 PolarHBondContact OD1-N 3.38Å
816D80.8Confident77Confident32 Ų3258.9 Ų58.917%0.17128%0.281CS..  trans-63.9142.6170.9-160.3-32000110.8L813 H818 Q835L813-D816 HydrophobicContact CB-CB 4.26Å; L813-D816 WeakPolarHBondContact O-CB 3.5Å; L813-D816 PolarHBondContact O-N 3.03Å; D816-H818 IonicContact OD1-CD2 2.61Å; D816-H818 PolarHBondContact OD1-N 3.16Å; D816-Q835 PolarHBondContact O-NE2 3.33Å
817K78.8Confident79.2Confident173 Ų17349.8 Ų49.875%0.75224%0.241SC*.SBendtrans-87.2-15.3178.4-65.6-174178.4-176.70113.4A991K817-A991 WeakPolarHBondContact O-CB 3.32Å
818H79.6Confident81.3Confident134 Ų13441.5 Ų41.562%0.6220%0.197SC*.SBendtrans-108.4-28.2-170.5-64.4-61.1000113.7D816 A991D816-H818 IonicContact OD1-CD2 2.61Å; D816-H818 PolarHBondContact OD1-N 3.16Å; H818-A991 PolarHBondContact O-N 3.47Å
819V84.2Confident83Confident9 Ų936.7 Ų36.76%0.05517%0.174CC..EExtended strand (participates in β ladder)trans-134.8131.4-173.4-176.70000110.6I809 I988 T989I809-V819 HydrophobicContact CD1-CG2 4.37Å; I809-V819 HydrophobicContact CG2-CG2 4.34Å; V819-I988 HydrophobicContact CG1-CD1 3.87Å; V819-I988 HydrophobicContact CG1-CG1 3.5Å; V819-I988 VanDerWaalsContact CG1-CG1 3.5Å; V819-T989 WeakPolarHBondContact CA-O 3.42Å
820D87.1Confident84.6Confident8 Ų833.8 Ų33.84%0.04316%0.159CC..EExtended strand (participates in β ladder)trans-102.1129.1168.6-63.2-31.1000109.2Q835 T989 A991 K992D820-Q835 WeakPolarHBondContact OD1-CG 3.28Å; D820-Q835 PolarHBondContact OD1-NE2 3.27Å; D820-T989 HydrophobicContact CB-CG2 3.85Å; D820-T989 PolarHBondContact N-O 3.21Å; D820-T989 PolarHBondContact O-N 3.02Å; D820-A991 VanDerWaalsContact OD2-CA 3.22Å; D820-A991 WeakPolarHBondContact OD2-CA 3.06Å; D820-K992 PolarHBondContact OD2-N 2.64Å
821C88.6Confident86.1Confident0 Ų031.8 Ų31.80%015%0.146CC..EExtended strand (participates in β ladder)trans-120.7124.5176.5-58.40000109C812 N834 F986 L987C812-C821 HydrophobicContact CB-CB 3.61Å; C812-C821 WeakPolarHBondContact CB-SG 3.15Å; C812-C821 WeakPolarHBondContact SG-CB 3.32Å; C812-C821 CovalentContact SG-SG 2.03Å; C812-C821 PolarHBondContact SG-SG 3.32Å; C821-N834 HydrophobicContact CB-CB 4.13Å; C821-N834 PolarHBondContact O-N 3.19Å; C821-F986 HydrophobicContact CB-CE2 4.05Å; C821-F986 HydrophobicContact CB-CZ 4.31Å; C821-L987 WeakPolarHBondContact CA-O 3.24Å
822V90.9Very high87.1Confident2 Ų231.9 Ų31.91%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-135.5151-177.7-58.30000111L824 L830 M832 Y838 F846 L987V822-L824 HydrophobicContact CG2-CD2 4.28Å; V822-L824 HydrophobicContact CG2-CG 4.29Å; V822-L830 HydrophobicContact CB-CD1 3.95Å; V822-L830 HydrophobicContact CG1-CD1 4.09Å; V822-M832 WeakPolarHBondContact CA-O 3.27Å; V822-Y838 HydrophobicContact CG1-CD2 4.37Å; V822-F846 HydrophobicContact CG2-CE2 4.09Å; V822-F846 HydrophobicContact CG2-CZ 4.22Å; V822-L987 HydrophobicContact CG2-CB 3.74Å; V822-L987 HydrophobicContact CG2-CD2 3.73Å; V822-L987 HydrophobicContact CG2-CG 4.13Å; V822-L987 PolarHBondContact N-O 2.9Å; V822-L987 PolarHBondContact O-N 3.15Å
823I92.1Very high87.7Confident2 Ų231.9 Ų31.91%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-112.8126.2168.1-64176.7000107.7W792 F796 L831 M832 L984 V985 F986W792-I823 HydrophobicContact CH2-CD1 4.15Å; W792-I823 HydrophobicContact CH2-CG2 4.35Å; W792-I823 HydrophobicContact CZ2-CD1 3.85Å; F796-I823 HydrophobicContact CD2-CD1 4.05Å; F796-I823 HydrophobicContact CE2-CD1 3.99Å; F796-I823 HydrophobicContact CE2-CG1 4.46Å; I823-L831 PolarHBondContact O-N 2.89Å; I823-M832 HydrophobicContact CB-CB 4.19Å; I823-M832 HydrophobicContact CD1-CE 3.56Å; I823-M832 HydrophobicContact CD1-SD 3.97Å; I823-M832 HydrophobicContact CG1-CE 3.75Å; I823-M832 PolarHBondContact N-O 3.1Å; I823-M832 PolarHBondContact O-N 2.63Å; I823-L984 HydrophobicContact CG2-CB 4.1Å; I823-L984 HydrophobicContact CG2-CD1 4.13Å; I823-L984 HydrophobicContact CG2-CD2 4.01Å; I823-L984 HydrophobicContact CG2-CG 4.32Å; I823-V985 WeakPolarHBondContact CA-O 3.38Å; I823-F986 HydrophobicContact CG1-CD2 4.1Å
824L94.2Very high88Confident0 Ų028.6 Ų28.60%013%0.129CC..EExtended strand (participates in β ladder)trans-114153.5175.9-51.2178.1000109.5V822 F829 L830 F846 Y863 L984 V985 L987V822-L824 HydrophobicContact CG2-CD2 4.28Å; V822-L824 HydrophobicContact CG2-CG 4.29Å; L824-F829 WeakPolarHBondContact CA-O 3.16Å; L824-L830 HydrophobicContact CD2-CB 4.3Å; L824-L830 HydrophobicContact CD2-CD1 3.92Å; L824-F846 HydrophobicContact CD1-CB 4.08Å; L824-F846 HydrophobicContact CD1-CD1 3.66Å; L824-F846 HydrophobicContact CD1-CD2 4.27Å; L824-F846 HydrophobicContact CD1-CE1 4.13Å; L824-F846 HydrophobicContact CD1-CG 3.73Å; L824-F846 HydrophobicContact CD2-CB 3.93Å; L824-F846 HydrophobicContact CD2-CD2 3.68Å; L824-F846 HydrophobicContact CD2-CE2 4.33Å; L824-F846 HydrophobicContact CD2-CG 3.8Å; L824-F846 HydrophobicContact CG-CG 4.44Å; L824-Y863 WeakPolarHBondContact CB-OH 3.43Å; L824-L984 WeakPolarHBondContact O-CA 3.04Å; L824-V985 HydrophobicContact CB-CG1 3.8Å; L824-V985 PolarHBondContact N-O 2.78Å; L824-V985 PolarHBondContact O-N 2.91Å; L824-L987 HydrophobicContact CD1-CD2 4.23Å
825D93.7Very high88.1Confident0 Ų023.1 Ų23.10%011%0.11CC..  trans-87-177167.36810.2000111.8Y573 G827 G828 F829 L831 Y863 N983 L984Y573-D825 WeakPolarHBondContact CE1-OD2 3.32Å; Y573-D825 VanDerWaalsContact CZ-OD2 3.32Å; Y573-D825 PolarHBondContact OH-OD2 3.32Å; D825-G827 PolarHBondContact O-N 3.16Å; D825-G827 WeakPolarHBondContact OD1-CA 3.06Å; D825-G827 PolarHBondContact OD1-N 2.91Å; D825-G828 PolarHBondContact O-N 3.31Å; D825-G828 PolarHBondContact OD1-N 3.2Å; D825-F829 PolarHBondContact N-O 2.62Å; D825-F829 PolarHBondContact OD1-N 2.92Å; D825-L831 HydrophobicContact CB-CD1 4Å; D825-L831 HydrophobicContact CB-CG 4.49Å; D825-Y863 PolarHBondContact O-OH 2.74Å; D825-N983 CarbonylContact C-O 3.5Å; D825-L984 HydrophobicContact CB-CD2 4.43Å
826D92.6Very high88.1Confident13 Ų1324 Ų247%0.0711%0.112CC..THydrogen-bonded Turntrans-67-21.4177.759.7-37.3000114.2R738 G828 Y863 F953 F954 N983R738-D826 IonicContact NH2-OD1 3.81Å; R738-D826 PolarHBondContact NH2-OD1 3.16Å; R738-D826 IonicContact NH2-OD2 3.79Å; R738-D826 PolarHBondContact NH2-OD2 2.66Å; D826-G828 VanDerWaalsContact C-N 3.34Å; D826-Y863 VanDerWaalsContact O-CE1 3.26Å; D826-Y863 WeakPolarHBondContact O-CE1 3.42Å; D826-F953 VanDerWaalsContact O-CA 3.31Å; D826-F953 WeakPolarHBondContact O-CA 3.36Å; D826-F954 HydrophobicContact CB-CD2 3.58Å; D826-F954 HydrophobicContact CB-CE2 3.49Å; D826-F954 VanDerWaalsContact CB-CE2 3.49Å; D826-F954 HydrophobicContact CB-CG 4.2Å; D826-F954 HydrophobicContact CB-CZ 4.05Å; D826-N983 HydrophobicContact CB-CB 4.22Å; D826-N983 PolarHBondContact N-O 3.08Å; D826-N983 VanDerWaalsContact N-O 3.12Å; D826-N983 PolarHBondContact OD1-ND2 3.45Å
827G91.3Very high88.2Confident0 Ų029.9 Ų29.90%014%0.138CC..THydrogen-bonded Turntrans-83.7-6.9170.100000113.9D825 Q1005D825-G827 PolarHBondContact O-N 3.16Å; D825-G827 WeakPolarHBondContact OD1-CA 3.06Å; D825-G827 PolarHBondContact OD1-N 2.91Å; G827-Q1005 PolarHBondContact O-OE1 3.45Å
828G92.6Very high88.4Confident0 Ų022.8 Ų22.80%011%0.107CC..  trans75.923.4-175.300000113.4D825 D826 F846D825-G828 PolarHBondContact O-N 3.31Å; D825-G828 PolarHBondContact OD1-N 3.2Å; D826-G828 VanDerWaalsContact C-N 3.34Å; G828-F846 WeakPolarHBondContact O-CB 2.86Å; G828-F846 PolarHBondContact O-N 3.2Å
829F92.8Very high88.4Confident11 Ų1118.6 Ų18.65%0.0489%0.088CC..BIsolated β-bridgetrans-84.1143.3171.8-63.7-83000111.1R572 Y573 A749 L824 D825 L831 F845 Q1005R572-F829 HydrophobicContact CB-CE2 3.83Å; R572-F829 HydrophobicContact CB-CZ 3.82Å; R572-F829 HydrophobicContact CG-CE2 4.34Å; R572-F829 HydrophobicContact CG-CZ 3.85Å; Y573-F829 HydrophobicContact CD1-CE2 4.46Å; Y573-F829 AromaticContact CE1-CD2 3.72Å; Y573-F829 HydrophobicContact CE1-CD2 3.72Å; Y573-F829 AromaticContact CE1-CE2 3.93Å; Y573-F829 HydrophobicContact CE1-CE2 3.93Å; Y573-F829 AromaticContact CZ-CD2 3.85Å; A749-F829 HydrophobicContact CB-CB 3.64Å; A749-F829 HydrophobicContact CB-CG 4.19Å; L824-F829 WeakPolarHBondContact CA-O 3.16Å; D825-F829 PolarHBondContact N-O 2.62Å; D825-F829 PolarHBondContact OD1-N 2.92Å; F829-L831 PolarHBondContact O-N 3.29Å; F829-F845 HydrophobicContact CD1-CB 4.32Å; F829-F845 HydrophobicContact CE1-CB 4.16Å; F829-Q1005 VanDerWaalsContact CZ-OE1 3.25Å
830L92.1Very high88.3Confident0 Ų022 Ų220%011%0.113CC..EExtended strand (participates in β ladder)trans-77.2117.4179.2-179.866000110.9V822 L824 M832 L841 G843 Q844 V849V822-L830 HydrophobicContact CB-CD1 3.95Å; V822-L830 HydrophobicContact CG1-CD1 4.09Å; L824-L830 HydrophobicContact CD2-CB 4.3Å; L824-L830 HydrophobicContact CD2-CD1 3.92Å; L830-M832 WeakPolarHBondContact CD1-O 3.3Å; L830-L841 HydrophobicContact CD2-CB 4.36Å; L830-G843 PolarHBondContact O-N 3.11Å; L830-Q844 PolarHBondContact N-O 3.5Å; L830-V849 HydrophobicContact CD2-CG2 4.5Å
831L90.1Very high88.1Confident0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-100.9-36.8176.4-68.5-179.9000112.8F747 A749 I763 W792 I823 D825 F829 L984F747-L831 HydrophobicContact CB-CD1 3.96Å; A749-L831 VanDerWaalsContact CA-CD2 3.47Å; A749-L831 HydrophobicContact CB-CD2 3.56Å; I763-L831 HydrophobicContact CD1-CB 4.26Å; I763-L831 HydrophobicContact CD1-CD2 4.42Å; I763-L831 WeakPolarHBondContact CD1-O 3.47Å; I763-L831 HydrophobicContact CG2-CD2 4.16Å; W792-L831 HydrophobicContact CZ3-CB 4.36Å; I823-L831 PolarHBondContact O-N 2.89Å; D825-L831 HydrophobicContact CB-CD1 4Å; D825-L831 HydrophobicContact CB-CG 4.49Å; F829-L831 PolarHBondContact O-N 3.29Å; L831-L984 HydrophobicContact CD1-CD2 3.31Å
832M88.8Confident88.1Confident2 Ų224 Ų241%0.0112%0.123CC..EExtended strand (participates in β ladder)trans-149.7143.2-176.6-169.6-159.276.600110W792 F796 V822 I823 L830W792-M832 HydrophobicContact CD2-SD 4.44Å; W792-M832 HydrophobicContact CE3-CB 4.37Å; W792-M832 HydrophobicContact CE3-CG 4.49Å; W792-M832 HydrophobicContact CH2-CB 4.22Å; W792-M832 HydrophobicContact CZ3-CB 3.87Å; W792-M832 HydrophobicContact CZ3-CG 4.46Å; F796-M832 HydrophobicContact CB-CE 4.16Å; F796-M832 HydrophobicContact CB-SD 3.75Å; F796-M832 HydrophobicContact CD1-CE 3.32Å; F796-M832 HydrophobicContact CD1-SD 3.99Å; F796-M832 HydrophobicContact CD2-CE 3.45Å; F796-M832 VanDerWaalsContact CD2-CE 3.45Å; F796-M832 HydrophobicContact CD2-SD 3.98Å; F796-M832 HydrophobicContact CE1-CE 3.46Å; F796-M832 VanDerWaalsContact CE1-CE 3.46Å; F796-M832 HydrophobicContact CE2-CE 3.55Å; F796-M832 HydrophobicContact CG-CE 3.34Å; F796-M832 HydrophobicContact CG-SD 3.62Å; F796-M832 HydrophobicContact CZ-CE 3.6Å; V822-M832 WeakPolarHBondContact CA-O 3.27Å; I823-M832 HydrophobicContact CB-CB 4.19Å; I823-M832 HydrophobicContact CD1-CE 3.56Å; I823-M832 HydrophobicContact CD1-SD 3.97Å; I823-M832 HydrophobicContact CG1-CE 3.75Å; I823-M832 PolarHBondContact N-O 3.1Å; I823-M832 PolarHBondContact O-N 2.63Å; L830-M832 WeakPolarHBondContact CD1-O 3.3Å
833S88.6Confident87.9Confident1 Ų124.1 Ų24.11%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-138.7152.8173.1-179.30000110.8M793 Q835 Y838M793-S833 WeakPolarHBondContact CE-O 3.47Å; S833-Q835 PolarHBondContact OG-N 3.15Å; S833-Q835 VanDerWaalsContact OG-N 3.12Å; S833-Y838 VanDerWaalsContact OG-CB 3.27Å; S833-Y838 WeakPolarHBondContact OG-CB 3.32Å; S833-Y838 VanDerWaalsContact OG-CD2 3.27Å; S833-Y838 WeakPolarHBondContact OG-CD2 3.31Å
834N86.4Confident87.7Confident1 Ų125.4 Ų25.41%0.00513%0.131CC..SBendtrans-78-20.9171.1-172.238.5000113.7C812 L813 R814 N815 C821C812-N834 PolarHBondContact O-OD1 3.46Å; L813-N834 PolarHBondContact O-ND2 2.96Å; L813-N834 PolarHBondContact O-OD1 3.39Å; R814-N834 VanDerWaalsContact CA-OD1 3.24Å; R814-N834 WeakPolarHBondContact CA-OD1 3.49Å; R814-N834 PolarHBondContact N-OD1 3.47Å; R814-N834 VanDerWaalsContact N-OD1 3.17Å; N815-N834 PolarHBondContact N-O 3.36Å; N815-N834 VanDerWaalsContact N-O 3.14Å; C821-N834 HydrophobicContact CB-CB 4.13Å; C821-N834 PolarHBondContact O-N 3.19Å
835Q84.3Confident87.6Confident31 Ų3125.6 Ų25.615%0.14513%0.132CC..SBendtrans-91133.6179.6-61.8-63.9-12.300111.2D816 D820 S833 E837 Y838 I839D816-Q835 PolarHBondContact O-NE2 3.33Å; D820-Q835 WeakPolarHBondContact OD1-CG 3.28Å; D820-Q835 PolarHBondContact OD1-NE2 3.27Å; S833-Q835 PolarHBondContact OG-N 3.15Å; S833-Q835 VanDerWaalsContact OG-N 3.12Å; Q835-E837 VanDerWaalsContact C-N 3.31Å; Q835-E837 PolarHBondContact O-N 3.06Å; Q835-Y838 HydrophobicContact CB-CD2 4.33Å; Q835-Y838 HydrophobicContact CB-CG 4.22Å; Q835-Y838 PolarHBondContact O-N 2.9Å; Q835-Y838 VanDerWaalsContact O-N 3.16Å; Q835-I839 PolarHBondContact O-N 3.01Å
836E81.4Confident87.5Confident86 Ų8625.9 Ų25.940%0.40213%0.133SC..Hα-helixtrans-63.6-33.6178.6-77.1177.5169.500113.5R814 N815 Y838 I839R814-E836 IonicContact CZ-OE1 3.79Å; R814-E836 IonicContact NE-OE1 3.96Å; R814-E836 PolarHBondContact NE-OE1 2.93Å; R814-E836 IonicContact NH2-OE1 3.04Å; R814-E836 PolarHBondContact NH2-OE1 2.88Å; N815-E836 PolarHBondContact ND2-OE2 2.75Å; N815-E836 WeakPolarHBondContact OD1-CG 3.2Å; N815-E836 PolarHBondContact OD1-N 3.38Å; E836-Y838 PolarHBondContact O-N 2.79Å; E836-I839 HydrophobicContact CB-CD1 4.42Å; E836-I839 HydrophobicContact CG-CD1 4.09Å; E836-I839 WeakPolarHBondContact O-CB 3.27Å; E836-I839 PolarHBondContact O-N 3.29Å; E836-I839 VanDerWaalsContact O-N 3.13Å
837E81.8Confident87.3Confident155 Ų15525.2 Ų25.272%0.72413%0.13SC*.Hα-helixtrans-61.6-31.1176.3-64.8-178.3179.900112.4Q835 S840Q835-E837 VanDerWaalsContact C-N 3.31Å; Q835-E837 PolarHBondContact O-N 3.06Å; E837-S840 PolarHBondContact O-OG 2.85Å
838Y82.8Confident87.2Confident24 Ų2428.2 Ų28.29%0.09414%0.144CC..Hα-helixtrans-85-13.9-179.1-70.64.5000112V822 S833 Q835 E836 S840 L841 I842 V849V822-Y838 HydrophobicContact CG1-CD2 4.37Å; S833-Y838 VanDerWaalsContact OG-CB 3.27Å; S833-Y838 WeakPolarHBondContact OG-CB 3.32Å; S833-Y838 VanDerWaalsContact OG-CD2 3.27Å; S833-Y838 WeakPolarHBondContact OG-CD2 3.31Å; Q835-Y838 HydrophobicContact CB-CD2 4.33Å; Q835-Y838 HydrophobicContact CB-CG 4.22Å; Q835-Y838 PolarHBondContact O-N 2.9Å; Q835-Y838 VanDerWaalsContact O-N 3.16Å; E836-Y838 PolarHBondContact O-N 2.79Å; Y838-S840 VanDerWaalsContact C-N 3.33Å; Y838-L841 HydrophobicContact CD1-CD1 4.16Å; Y838-L841 CarbonylContact O-C 3.58Å; Y838-L841 WeakPolarHBondContact O-CA 2.76Å; Y838-L841 PolarHBondContact O-N 2.8Å; Y838-I842 PolarHBondContact O-N 2.85Å; Y838-V849 HydrophobicContact CD1-CG1 4Å; Y838-V849 HydrophobicContact CD2-CG1 4.13Å; Y838-V849 HydrophobicContact CE1-CG1 3.77Å; Y838-V849 HydrophobicContact CE2-CG1 3.91Å; Y838-V849 HydrophobicContact CG-CG1 4.2Å
839I79.8Confident86.9Confident45 Ų4528.5 Ų28.523%0.23115%0.145CC..Hα-helixtrans-65.4-39.8176.9-61.2175.7000110.4M793 Q835 E836 L841 I842M793-I839 HydrophobicContact CE-CD1 4.02Å; M793-I839 HydrophobicContact SD-CD1 3.78Å; M793-I839 HydrophobicContact SD-CG1 4.47Å; Q835-I839 PolarHBondContact O-N 3.01Å; E836-I839 HydrophobicContact CB-CD1 4.42Å; E836-I839 HydrophobicContact CG-CD1 4.09Å; E836-I839 WeakPolarHBondContact O-CB 3.27Å; E836-I839 PolarHBondContact O-N 3.29Å; E836-I839 VanDerWaalsContact O-N 3.13Å; I839-L841 PolarHBondContact O-N 3.41Å; I839-I842 HydrophobicContact CB-CD1 4.46Å; I839-I842 HydrophobicContact CG2-CD1 4.05Å; I839-I842 WeakPolarHBondContact O-CD1 3.3Å; I839-I842 VanDerWaalsContact O-CG1 3.31Å; I839-I842 WeakPolarHBondContact O-CG1 3.44Å; I839-I842 PolarHBondContact O-N 3.49Å
840S81.4Confident86.7Confident81 Ų8128.2 Ų28.257%0.56614%0.144SC*.THydrogen-bonded Turntrans-68.4-13.2173.547.90000113.5F752 E837 Y838F752-S840 WeakPolarHBondContact CE2-O 3.4Å; E837-S840 PolarHBondContact O-OG 2.85Å; Y838-S840 VanDerWaalsContact C-N 3.33Å
841L84.8Confident86.6Confident46 Ų4628.9 Ų28.924%0.24115%0.149CC..THydrogen-bonded Turntrans-101.68-179.7-51.2179.3000112.9F752 L830 Y838 I839 G843 Q844 V849F752-L841 HydrophobicContact CE2-CD2 4.09Å; F752-L841 HydrophobicContact CZ-CD2 4.13Å; L830-L841 HydrophobicContact CD2-CB 4.36Å; Y838-L841 HydrophobicContact CD1-CD1 4.16Å; Y838-L841 CarbonylContact O-C 3.58Å; Y838-L841 WeakPolarHBondContact O-CA 2.76Å; Y838-L841 PolarHBondContact O-N 2.8Å; I839-L841 PolarHBondContact O-N 3.41Å; L841-G843 PolarHBondContact O-N 3.03Å; L841-Q844 WeakPolarHBondContact O-CB 3.48Å; L841-Q844 PolarHBondContact O-N 3.28Å; L841-V849 HydrophobicContact CB-CG2 4.39Å; L841-V849 HydrophobicContact CD1-CG1 4.37Å; L841-V849 HydrophobicContact CD1-CG2 4.24Å
842I87Confident86.4Confident3 Ų330.1 Ų30.12%0.01516%0.156CC..THydrogen-bonded Turntrans-60.7134.3176-68.8171.1000109.4P750 V758 V789 Y838 I839 Q844P750-I842 HydrophobicContact CG-CG2 3.92Å; V758-I842 HydrophobicContact CG1-CB 3.99Å; V758-I842 HydrophobicContact CG1-CG2 3.93Å; V789-I842 HydrophobicContact CG1-CD1 3.63Å; Y838-I842 PolarHBondContact O-N 2.85Å; I839-I842 HydrophobicContact CB-CD1 4.46Å; I839-I842 HydrophobicContact CG2-CD1 4.05Å; I839-I842 WeakPolarHBondContact O-CD1 3.3Å; I839-I842 VanDerWaalsContact O-CG1 3.31Å; I839-I842 WeakPolarHBondContact O-CG1 3.44Å; I839-I842 PolarHBondContact O-N 3.49Å; I842-Q844 VanDerWaalsContact C-N 3.32Å
843G86.4Confident86.4Confident5 Ų530 Ų305%0.05216%0.155CC..THydrogen-bonded Turntrans89-9.7-173.100000114.5P750 L830 L841P750-G843 WeakPolarHBondContact O-CA 3.35Å; L830-G843 PolarHBondContact O-N 3.11Å; L841-G843 PolarHBondContact O-N 3.03Å
844Q89.2Confident86.6Confident29 Ų2930 Ų3014%0.13616%0.155CC..SBendtrans-79.6148.2173.8-163.7174.614.700111.1F752 L830 L841 I842 F846 E848F752-Q844 HydrophobicContact CD2-CB 3.98Å; F752-Q844 HydrophobicContact CE2-CB 4.3Å; F752-Q844 HydrophobicContact CG-CB 4.22Å; L830-Q844 PolarHBondContact N-O 3.5Å; L841-Q844 WeakPolarHBondContact O-CB 3.48Å; L841-Q844 PolarHBondContact O-N 3.28Å; I842-Q844 VanDerWaalsContact C-N 3.32Å; Q844-F846 PolarHBondContact O-N 2.87Å; Q844-E848 HydrophobicContact CG-CB 4.3Å; Q844-E848 PolarHBondContact NE2-OE2 2.93Å
845F91.9Very high86.7Confident5 Ų532.7 Ų32.72%0.02217%0.169CC..BIsolated β-bridgetrans-64.5131.6173.7178.9-114.8000111F829 G847 E848 M854 Y952 L1003 Q1005F829-F845 HydrophobicContact CD1-CB 4.32Å; F829-F845 HydrophobicContact CE1-CB 4.16Å; F845-G847 PolarHBondContact O-N 2.91Å; F845-G847 VanDerWaalsContact O-N 3.17Å; F845-E848 PolarHBondContact O-N 2.76Å; F845-M854 HydrophobicContact CE1-CG 4.5Å; F845-M854 HydrophobicContact CE2-CE 3.8Å; F845-M854 HydrophobicContact CZ-CE 3.71Å; F845-M854 HydrophobicContact CZ-CG 4.09Å; F845-Y952 HydrophobicContact CE1-CE2 4.11Å; F845-Y952 AromaticContact CE2-CD2 3.49Å; F845-Y952 HydrophobicContact CE2-CD2 3.49Å; F845-Y952 VanDerWaalsContact CE2-CD2 3.49Å; F845-Y952 AromaticContact CE2-CE2 3.76Å; F845-Y952 HydrophobicContact CE2-CE2 3.76Å; F845-Y952 HydrophobicContact CE2-CG 4.15Å; F845-Y952 AromaticContact CZ-CD2 3.54Å; F845-Y952 HydrophobicContact CZ-CD2 3.54Å; F845-Y952 HydrophobicContact CZ-CE1 4.46Å; F845-Y952 AromaticContact CZ-CE2 3.28Å; F845-Y952 HydrophobicContact CZ-CE2 3.28Å; F845-Y952 HydrophobicContact CZ-CG 4.27Å; F845-Y952 AromaticContact CZ-CZ 3.81Å; F845-L1003 WeakPolarHBondContact CD1-O 3.4Å; F845-L1003 HydrophobicContact CE1-CD2 4.41Å; F845-L1003 VanDerWaalsContact CE1-O 3.24Å; F845-L1003 WeakPolarHBondContact CE1-O 3.08Å; F845-Q1005 HydrophobicContact CB-CB 4.01Å; F845-Q1005 HydrophobicContact CD1-CB 3.67Å; F845-Q1005 HydrophobicContact CD2-CB 3.69Å; F845-Q1005 HydrophobicContact CD2-CG 4.41Å; F845-Q1005 HydrophobicContact CE1-CB 3.99Å; F845-Q1005 HydrophobicContact CE2-CB 4.02Å; F845-Q1005 VanDerWaalsContact CE2-OE1 3.28Å; F845-Q1005 HydrophobicContact CG-CB 3.5Å; F845-Q1005 VanDerWaalsContact CG-CB 3.5Å; F845-Q1005 HydrophobicContact CZ-CB 4.17Å
846F91.6Very high86.9Confident5 Ų532.9 Ų32.92%0.02217%0.171CC..Hα-helixtrans-64.4-26.1-172.1-171.5-113.2000113.5V822 L824 G828 Q844 E848 V849 D850 L853 M854 L857 L987V822-F846 HydrophobicContact CG2-CE2 4.09Å; V822-F846 HydrophobicContact CG2-CZ 4.22Å; L824-F846 HydrophobicContact CD1-CB 4.08Å; L824-F846 HydrophobicContact CD1-CD1 3.66Å; L824-F846 HydrophobicContact CD1-CD2 4.27Å; L824-F846 HydrophobicContact CD1-CE1 4.13Å; L824-F846 HydrophobicContact CD1-CG 3.73Å; L824-F846 HydrophobicContact CD2-CB 3.93Å; L824-F846 HydrophobicContact CD2-CD2 3.68Å; L824-F846 HydrophobicContact CD2-CE2 4.33Å; L824-F846 HydrophobicContact CD2-CG 3.8Å; L824-F846 HydrophobicContact CG-CG 4.44Å; G828-F846 WeakPolarHBondContact O-CB 2.86Å; G828-F846 PolarHBondContact O-N 3.2Å; Q844-F846 PolarHBondContact O-N 2.87Å; F846-E848 PolarHBondContact O-N 3.01Å; F846-V849 HydrophobicContact CD2-CB 4.25Å; F846-V849 PolarHBondContact O-N 3.42Å; F846-D850 HydrophobicContact CE1-CB 4.27Å; F846-D850 HydrophobicContact CE2-CB 4.39Å; F846-D850 HydrophobicContact CZ-CB 3.93Å; F846-D850 PolarHBondContact O-N 3.36Å; F846-L853 HydrophobicContact CE1-CB 4.18Å; F846-L853 HydrophobicContact CE1-CD2 3.91Å; F846-L853 HydrophobicContact CE1-CG 3.97Å; F846-L853 HydrophobicContact CZ-CD2 3.9Å; F846-L853 HydrophobicContact CZ-CG 4.46Å; F846-M854 HydrophobicContact CD1-CB 4.21Å; F846-M854 HydrophobicContact CD1-SD 4.18Å; F846-L857 HydrophobicContact CE1-CD1 4.49Å; F846-L987 HydrophobicContact CE1-CD2 3.9Å; F846-L987 HydrophobicContact CZ-CD2 3.97Å
847G88.6Confident87.4Confident0 Ų028.8 Ų28.80%015%0.152CC..Hα-helixtrans-65.2-15.4173.800000114.8F845 P851 L1003F845-G847 PolarHBondContact O-N 2.91Å; F845-G847 VanDerWaalsContact O-N 3.17Å; G847-P851 VanDerWaalsContact O-CA 3.28Å; G847-P851 WeakPolarHBondContact O-CA 3.43Å; G847-P851 VanDerWaalsContact O-CB 3.23Å; G847-P851 WeakPolarHBondContact O-CB 3.38Å; G847-L1003 CarbonylContact C-O 3.07Å; G847-L1003 WeakPolarHBondContact CA-O 3.35Å; G847-L1003 PolarHBondContact O-N 2.89Å
848E88.3Confident87.8Confident63 Ų6322.8 Ų22.829%0.29413%0.126SC..Hα-helixtrans-88.6-27.8171.1-59.7-168.9165.700112.1Q844 F845 F846 R1004Q844-E848 HydrophobicContact CG-CB 4.3Å; Q844-E848 PolarHBondContact NE2-OE2 2.93Å; F845-E848 PolarHBondContact O-N 2.76Å; F846-E848 PolarHBondContact O-N 3.01Å; E848-R1004 HydrophobicContact CG-CG 4.19Å; E848-R1004 WeakPolarHBondContact OE1-CB 3.37Å; E848-R1004 VanDerWaalsContact OE1-CG 3.23Å; E848-R1004 WeakPolarHBondContact OE1-CG 3.43Å
849V87.8Confident88.1Confident6 Ų627.4 Ų27.44%0.03615%0.152CC..Hα-helixtrans-80.4-54.2179-175.70000110.9L830 Y838 L841 F846 K992L830-V849 HydrophobicContact CD2-CG2 4.5Å; Y838-V849 HydrophobicContact CD1-CG1 4Å; Y838-V849 HydrophobicContact CD2-CG1 4.13Å; Y838-V849 HydrophobicContact CE1-CG1 3.77Å; Y838-V849 HydrophobicContact CE2-CG1 3.91Å; Y838-V849 HydrophobicContact CG-CG1 4.2Å; L841-V849 HydrophobicContact CB-CG2 4.39Å; L841-V849 HydrophobicContact CD1-CG1 4.37Å; L841-V849 HydrophobicContact CD1-CG2 4.24Å; F846-V849 HydrophobicContact CD2-CB 4.25Å; F846-V849 PolarHBondContact O-N 3.42Å; V849-K992 PolarHBondContact O-NZ 2.95Å
850D88.4Confident88.5Confident4 Ų427.3 Ų27.32%0.02115%0.154CC..  trans-134.983.6174.3-164.6-16.7000111.1F846 V852 L853 M854 R972F846-D850 HydrophobicContact CE1-CB 4.27Å; F846-D850 HydrophobicContact CE2-CB 4.39Å; F846-D850 HydrophobicContact CZ-CB 3.93Å; F846-D850 PolarHBondContact O-N 3.36Å; D850-V852 VanDerWaalsContact C-N 3.3Å; D850-V852 PolarHBondContact O-N 3.36Å; D850-V852 PolarHBondContact OD1-N 3.44Å; D850-L853 HydrophobicContact CB-CB 4.26Å; D850-L853 PolarHBondContact O-N 2.92Å; D850-L853 PolarHBondContact OD1-N 3.08Å; D850-M854 PolarHBondContact O-N 3.16Å; D850-M854 VanDerWaalsContact O-N 3.15Å; D850-R972 IonicContact OD1-NH1 3.21Å; D850-R972 IonicContact OD2-CZ 2.7Å; D850-R972 IonicContact OD2-NH1 3.28Å; D850-R972 PolarHBondContact OD2-NH1 2.76Å; D850-R972 IonicContact OD2-NH2 3.78Å; D850-R972 PolarHBondContact OD2-NH2 2.86Å
851P88.5Confident88.9Confident15 Ų1526 Ų2610%0.09715%0.145CC..Hα-helixtrans-60.3-36-178.318-30.3000113.7G847 L853 M854 I855 P1000G847-P851 VanDerWaalsContact O-CA 3.28Å; G847-P851 WeakPolarHBondContact O-CA 3.43Å; G847-P851 VanDerWaalsContact O-CB 3.23Å; G847-P851 WeakPolarHBondContact O-CB 3.38Å; P851-L853 VanDerWaalsContact C-N 3.34Å; P851-L853 PolarHBondContact O-N 3.26Å; P851-M854 PolarHBondContact O-N 3.32Å; P851-I855 WeakPolarHBondContact O-CD1 3.48Å; P851-I855 VanDerWaalsContact O-CG1 3.23Å; P851-I855 WeakPolarHBondContact O-CG1 3.05Å; P851-I855 PolarHBondContact O-N 3.11Å; P851-P1000 HydrophobicContact CB-CG 3.87Å; P851-P1000 HydrophobicContact CG-CG 3.75Å
852V87.3Confident89.1Confident25 Ų2523.9 Ų23.915%0.15213%0.133CC..Hα-helixtrans-63.2-47-176.4-1670000109.6D850 N856 L965 C998 P1000D850-V852 VanDerWaalsContact C-N 3.3Å; D850-V852 PolarHBondContact O-N 3.36Å; D850-V852 PolarHBondContact OD1-N 3.44Å; V852-N856 PolarHBondContact O-N 2.95Å; V852-L965 HydrophobicContact CG1-CD2 3.98Å; V852-C998 HydrophobicContact CB-CB 4.46Å; V852-C998 HydrophobicContact CG1-CB 4.22Å; V852-C998 HydrophobicContact CG2-CB 3.43Å; V852-C998 VanDerWaalsContact CG2-CB 3.43Å; V852-P1000 HydrophobicContact CB-CG 4.27Å; V852-P1000 VanDerWaalsContact CG2-CD 3.5Å; V852-P1000 HydrophobicContact CG2-CG 3.41Å; V852-P1000 VanDerWaalsContact CG2-CG 3.41Å
853L88.8Confident89.4Confident0 Ų023.7 Ų23.70%013%0.133CC..Hα-helixtrans-67.4-45.1-179-177.553.8000110.1F846 D850 P851 I855 N856 L857 L965 Y974 L987 T989F846-L853 HydrophobicContact CE1-CB 4.18Å; F846-L853 HydrophobicContact CE1-CD2 3.91Å; F846-L853 HydrophobicContact CE1-CG 3.97Å; F846-L853 HydrophobicContact CZ-CD2 3.9Å; F846-L853 HydrophobicContact CZ-CG 4.46Å; D850-L853 HydrophobicContact CB-CB 4.26Å; D850-L853 PolarHBondContact O-N 2.92Å; D850-L853 PolarHBondContact OD1-N 3.08Å; P851-L853 VanDerWaalsContact C-N 3.34Å; P851-L853 PolarHBondContact O-N 3.26Å; L853-I855 PolarHBondContact O-N 3.04Å; L853-N856 PolarHBondContact O-N 3.33Å; L853-N856 VanDerWaalsContact O-N 3.09Å; L853-L857 HydrophobicContact CD1-CD2 4.48Å; L853-L857 HydrophobicContact CD1-CG 4.31Å; L853-L857 HydrophobicContact CG-CD1 4.25Å; L853-L857 HydrophobicContact CG-CG 4.47Å; L853-L857 VanDerWaalsContact O-CG 3.3Å; L853-L857 WeakPolarHBondContact O-CG 3.34Å; L853-L857 PolarHBondContact O-N 3.3Å; L853-L965 HydrophobicContact CB-CD1 4.45Å; L853-L965 HydrophobicContact CD1-CD1 3.8Å; L853-Y974 HydrophobicContact CD1-CD1 3.7Å; L853-Y974 HydrophobicContact CD1-CD2 3.97Å; L853-Y974 HydrophobicContact CD1-CE1 4.29Å; L853-Y974 HydrophobicContact CD1-CG 3.5Å; L853-Y974 VanDerWaalsContact CD1-CG 3.5Å; L853-L987 HydrophobicContact CD2-CD2 3.57Å; L853-L987 HydrophobicContact CD2-CG 4.32Å; L853-L987 HydrophobicContact CG-CD2 4.1Å; L853-T989 HydrophobicContact CD2-CG2 3.84Å
854M91.2Very high89.7Confident0 Ų024.7 Ų24.70%014%0.138CC..Hα-helixtrans-59.8-43.7178.3-167.859.5-178.900112.8F845 F846 D850 P851 N856 L857 V858 Y863 Y952F845-M854 HydrophobicContact CE1-CG 4.5Å; F845-M854 HydrophobicContact CE2-CE 3.8Å; F845-M854 HydrophobicContact CZ-CE 3.71Å; F845-M854 HydrophobicContact CZ-CG 4.09Å; F846-M854 HydrophobicContact CD1-CB 4.21Å; F846-M854 HydrophobicContact CD1-SD 4.18Å; D850-M854 PolarHBondContact O-N 3.16Å; D850-M854 VanDerWaalsContact O-N 3.15Å; P851-M854 PolarHBondContact O-N 3.32Å; M854-N856 VanDerWaalsContact C-N 3.26Å; M854-N856 PolarHBondContact O-N 3.14Å; M854-L857 PolarHBondContact O-N 2.85Å; M854-L857 HydrophobicContact SD-CD1 4.32Å; M854-V858 WeakPolarHBondContact O-CG2 3.21Å; M854-V858 PolarHBondContact O-N 3.43Å; M854-Y863 HydrophobicContact CE-CD1 4.39Å; M854-Y863 HydrophobicContact CE-CD2 3.86Å; M854-Y863 HydrophobicContact CE-CE2 4.2Å; M854-Y863 HydrophobicContact CE-CG 3.97Å; M854-Y863 HydrophobicContact SD-CD2 4.2Å; M854-Y863 HydrophobicContact SD-CE2 4.33Å; M854-Y952 HydrophobicContact CE-CD1 3.86Å; M854-Y952 HydrophobicContact CE-CE1 4.18Å; M854-Y952 HydrophobicContact CE-CG 4.16Å
855I89.1Confident89.8Confident59 Ų5927.5 Ų27.530%0.30315%0.15SC..Hα-helixtrans-57.3-42.1174.9-70.1162.9000111P851 L853 V858 N859 P1000 L1003P851-I855 WeakPolarHBondContact O-CD1 3.48Å; P851-I855 VanDerWaalsContact O-CG1 3.23Å; P851-I855 WeakPolarHBondContact O-CG1 3.05Å; P851-I855 PolarHBondContact O-N 3.11Å; L853-I855 PolarHBondContact O-N 3.04Å; I855-V858 PolarHBondContact O-N 2.91Å; I855-N859 VanDerWaalsContact O-CG 3.31Å; I855-N859 PolarHBondContact O-N 3.24Å; I855-P1000 HydrophobicContact CD1-CB 4.18Å; I855-L1003 HydrophobicContact CD1-CD1 4.3Å; I855-L1003 HydrophobicContact CG1-CD1 3.52Å
856N89.3Confident89.7Confident34 Ų3430.1 Ų30.118%0.18217%0.165CC..Hα-helixtrans-74.3-30.6-178.6-1457.9000112.4V852 L853 M854 V858 N859 T860 V964 L965 Y974V852-N856 PolarHBondContact O-N 2.95Å; L853-N856 PolarHBondContact O-N 3.33Å; L853-N856 VanDerWaalsContact O-N 3.09Å; M854-N856 VanDerWaalsContact C-N 3.26Å; M854-N856 PolarHBondContact O-N 3.14Å; N856-V858 VanDerWaalsContact C-N 3.29Å; N856-N859 PolarHBondContact O-N 2.85Å; N856-T860 WeakPolarHBondContact O-CB 3.43Å; N856-T860 WeakPolarHBondContact O-CG2 3.2Å; N856-T860 PolarHBondContact O-N 3.48Å; N856-T860 PolarHBondContact O-OG1 2.95Å; N856-V964 PolarHBondContact ND2-O 3.36Å; N856-L965 HydrophobicContact CB-CD2 3.39Å; N856-L965 WeakPolarHBondContact ND2-CD2 3.43Å; N856-Y974 HydrophobicContact CB-CE1 4.33Å; N856-Y974 PolarHBondContact O-OH 2.82Å
857L90.3Very high89.6Confident1 Ų134.9 Ų34.91%0.00519%0.186CC..Hα-helixtrans-65.3-35171.5-65.9172.7000111.5F846 L853 M854 T860 L862 Y863 Y974 A976 L987F846-L857 HydrophobicContact CE1-CD1 4.49Å; L853-L857 HydrophobicContact CD1-CD2 4.48Å; L853-L857 HydrophobicContact CD1-CG 4.31Å; L853-L857 HydrophobicContact CG-CD1 4.25Å; L853-L857 HydrophobicContact CG-CG 4.47Å; L853-L857 VanDerWaalsContact O-CG 3.3Å; L853-L857 WeakPolarHBondContact O-CG 3.34Å; L853-L857 PolarHBondContact O-N 3.3Å; M854-L857 PolarHBondContact O-N 2.85Å; M854-L857 HydrophobicContact SD-CD1 4.32Å; L857-T860 WeakPolarHBondContact CA-OG1 3.38Å; L857-T860 PolarHBondContact O-OG1 2.97Å; L857-L862 HydrophobicContact CB-CD2 4.29Å; L857-L862 HydrophobicContact CD1-CD2 4.43Å; L857-L862 HydrophobicContact CD2-CD2 3.72Å; L857-L862 HydrophobicContact CG-CD2 4.35Å; L857-L862 WeakPolarHBondContact O-CB 3.35Å; L857-L862 PolarHBondContact O-N 3.17Å; L857-Y863 HydrophobicContact CB-CD2 4.11Å; L857-Y863 HydrophobicContact CD1-CE2 4.37Å; L857-Y974 HydrophobicContact CD2-CD2 3.85Å; L857-Y974 HydrophobicContact CD2-CE2 3.45Å; L857-Y974 VanDerWaalsContact CD2-CE2 3.45Å; L857-A976 HydrophobicContact CD2-CB 4.4Å; L857-L987 HydrophobicContact CD1-CD1 4.48Å; L857-L987 HydrophobicContact CD1-CD2 4.03Å; L857-L987 HydrophobicContact CD2-CD1 4.1Å
858V90.4Very high89.6Confident29 Ų2935.9 Ų35.918%0.17619%0.191CC..Hα-helixtrans-69.8-46.2172.1176.20000110.8M854 I855 N856 T860 S861 Y863 F865 Y952M854-V858 WeakPolarHBondContact O-CG2 3.21Å; M854-V858 PolarHBondContact O-N 3.43Å; I855-V858 PolarHBondContact O-N 2.91Å; N856-V858 VanDerWaalsContact C-N 3.29Å; V858-T860 PolarHBondContact O-N 3.44Å; V858-S861 PolarHBondContact O-N 3.27Å; V858-Y863 WeakPolarHBondContact CA-O 3.41Å; V858-F865 HydrophobicContact CG1-CD1 3.9Å; V858-F865 HydrophobicContact CG1-CE1 3.82Å; V858-Y952 HydrophobicContact CG2-CD1 4.28Å; V858-Y952 HydrophobicContact CG2-CE1 3.76Å
859N89.8Confident89.6Confident121 Ų12136.2 Ų36.265%0.64719%0.191SC*.Hα-helixtrans-62-30178.2-71.8-16.9000113.5I855 N856 S861I855-N859 VanDerWaalsContact O-CG 3.31Å; I855-N859 PolarHBondContact O-N 3.24Å; N856-N859 PolarHBondContact O-N 2.85Å; N859-S861 VanDerWaalsContact C-N 3.26Å
860T88.1Confident89.5Confident43 Ų4337.7 Ų37.726%0.26420%0.198SC..THydrogen-bonded Turntrans-85.76.9175.650.60000113.7N856 L857 V858 L862 Y974N856-T860 WeakPolarHBondContact O-CB 3.43Å; N856-T860 WeakPolarHBondContact O-CG2 3.2Å; N856-T860 PolarHBondContact O-N 3.48Å; N856-T860 PolarHBondContact O-OG1 2.95Å; L857-T860 WeakPolarHBondContact CA-OG1 3.38Å; L857-T860 PolarHBondContact O-OG1 2.97Å; V858-T860 PolarHBondContact O-N 3.44Å; T860-L862 VanDerWaalsContact C-N 3.25Å; T860-L862 PolarHBondContact O-N 3.44Å; T860-Y974 WeakPolarHBondContact CG2-OH 3.49Å; T860-Y974 PolarHBondContact OG1-OH 3.27Å
861S89.6Confident89.2Confident53 Ų5339.2 Ų39.237%0.37120%0.204SC..THydrogen-bonded Turntrans61.822.5179.370.60000115.4V858 N859V858-S861 PolarHBondContact O-N 3.27Å; N859-S861 VanDerWaalsContact C-N 3.26Å
862L90.4Very high88.8Confident1 Ų139.1 Ų39.11%0.00520%0.202CC..SBendtrans-67.8-48.6169173.968.6000109.9L857 T860 F954 Y961 A976 K978 V985L857-L862 HydrophobicContact CB-CD2 4.29Å; L857-L862 HydrophobicContact CD1-CD2 4.43Å; L857-L862 HydrophobicContact CD2-CD2 3.72Å; L857-L862 HydrophobicContact CG-CD2 4.35Å; L857-L862 WeakPolarHBondContact O-CB 3.35Å; L857-L862 PolarHBondContact O-N 3.17Å; T860-L862 VanDerWaalsContact C-N 3.25Å; T860-L862 PolarHBondContact O-N 3.44Å; L862-F954 HydrophobicContact CD1-CE1 4.44Å; L862-Y961 HydrophobicContact CB-CD1 4.29Å; L862-Y961 HydrophobicContact CB-CD2 4.39Å; L862-Y961 HydrophobicContact CB-CE1 4.32Å; L862-Y961 HydrophobicContact CB-CE2 4.42Å; L862-Y961 HydrophobicContact CB-CG 4.3Å; L862-Y961 HydrophobicContact CD1-CD2 3.47Å; L862-Y961 VanDerWaalsContact CD1-CD2 3.47Å; L862-Y961 HydrophobicContact CD1-CE2 3.34Å; L862-Y961 HydrophobicContact CD1-CG 4.21Å; L862-Y961 HydrophobicContact CG-CD2 4.44Å; L862-Y961 HydrophobicContact CG-CE2 4.47Å; L862-A976 HydrophobicContact CD2-CB 3.85Å; L862-K978 HydrophobicContact CD1-CG 4.48Å; L862-V985 HydrophobicContact CD1-CG2 4.46Å; L862-V985 HydrophobicContact CD2-CG2 4.34Å
863Y92.3Very high88.5Confident0 Ų038.2 Ų38.20%020%0.197CC..  trans-110.9136.1174.5-70.7-81.4000109.7L824 D825 D826 M854 L857 V858 F954 V985L824-Y863 WeakPolarHBondContact CB-OH 3.43Å; D825-Y863 PolarHBondContact O-OH 2.74Å; D826-Y863 VanDerWaalsContact O-CE1 3.26Å; D826-Y863 WeakPolarHBondContact O-CE1 3.42Å; M854-Y863 HydrophobicContact CE-CD1 4.39Å; M854-Y863 HydrophobicContact CE-CD2 3.86Å; M854-Y863 HydrophobicContact CE-CE2 4.2Å; M854-Y863 HydrophobicContact CE-CG 3.97Å; M854-Y863 HydrophobicContact SD-CD2 4.2Å; M854-Y863 HydrophobicContact SD-CE2 4.33Å; L857-Y863 HydrophobicContact CB-CD2 4.11Å; L857-Y863 HydrophobicContact CD1-CE2 4.37Å; V858-Y863 WeakPolarHBondContact CA-O 3.41Å; Y863-F954 AromaticContact CD1-CD1 3.98Å; Y863-F954 HydrophobicContact CD1-CD1 3.98Å; Y863-F954 AromaticContact CD1-CE1 3.89Å; Y863-F954 HydrophobicContact CD1-CE1 3.89Å; Y863-F954 AromaticContact CE1-CD1 3.87Å; Y863-F954 HydrophobicContact CE1-CD1 3.87Å; Y863-F954 AromaticContact CE1-CE1 3.32Å; Y863-F954 HydrophobicContact CE1-CE1 3.32Å; Y863-F954 HydrophobicContact CE1-CZ 4.14Å; Y863-F954 HydrophobicContact CE2-CE1 4.32Å; Y863-F954 AromaticContact CZ-CE1 3.57Å; Y863-V985 VanDerWaalsContact OH-CG1 3.27Å; Y863-V985 WeakPolarHBondContact OH-CG1 3.07Å
864S92.4Very high88Confident25 Ų2540.2 Ų40.218%0.17521%0.209CC..EExtended strand (participates in β ladder)trans-108.5161.4160.8-65.90000108.4Y952 F953 D955S864-Y952 WeakPolarHBondContact O-CA 3.17Å; S864-F953 PolarHBondContact N-O 2.73Å; S864-F953 PolarHBondContact O-N 3.02Å; S864-D955 WeakPolarHBondContact OG-CB 3.23Å; S864-D955 PolarHBondContact OG-OD2 3.06Å
865F91.2Very high87.3Confident88 Ų8841.2 Ų41.239%0.38622%0.216SC..EExtended strand (participates in β ladder)trans-135153.3175.665.4-88000110.5V858 K867 T950 Q951 Y952V858-F865 HydrophobicContact CG1-CD1 3.9Å; V858-F865 HydrophobicContact CG1-CE1 3.82Å; F865-K867 HydrophobicContact CD2-CG 4.14Å; F865-K867 HydrophobicContact CE2-CD 4.07Å; F865-K867 HydrophobicContact CE2-CG 4.13Å; F865-T950 HydrophobicContact CB-CG2 3.95Å; F865-T950 HydrophobicContact CD2-CG2 3.82Å; F865-T950 HydrophobicContact CG-CG2 4.14Å; F865-Q951 CarbonylContact C-O 3.59Å; F865-Q951 WeakPolarHBondContact CA-O 3.41Å; F865-Q951 WeakPolarHBondContact CB-O 3.33Å; F865-Y952 HydrophobicContact CB-CD1 3.63Å; F865-Y952 HydrophobicContact CB-CE1 3.53Å; F865-Y952 HydrophobicContact CB-CE2 4.43Å; F865-Y952 HydrophobicContact CB-CG 4.12Å; F865-Y952 AromaticContact CD1-CE1 3.82Å; F865-Y952 HydrophobicContact CD1-CE1 3.82Å; F865-Y952 HydrophobicContact CG-CD1 4.48Å; F865-Y952 AromaticContact CG-CE1 3.93Å; F865-Y952 HydrophobicContact CG-CE1 3.93Å
866N91.1Very high86.5Confident61 Ų6143.4 Ų43.433%0.32623%0.228SC..EExtended strand (participates in β ladder)trans-122.8142.5168.6-148.1-0.7000109.5I574 Q951 F953I574-N866 HydrophobicContact CD1-CB 3.97Å; N866-Q951 PolarHBondContact N-O 3.37Å; N866-Q951 PolarHBondContact O-N 3.44Å; N866-Q951 VanDerWaalsContact O-N 3.08Å; N866-F953 HydrophobicContact CB-CE1 4.48Å
867K89.1Confident85.5Confident105 Ų10544.6 Ų44.646%0.45724%0.238SC..EExtended strand (participates in β ladder)trans-103.8126.6178.5-74.3169.9160.4-129.70108.5F865 E948 Q949 T950F865-K867 HydrophobicContact CD2-CG 4.14Å; F865-K867 HydrophobicContact CE2-CD 4.07Å; F865-K867 HydrophobicContact CE2-CG 4.13Å; K867-E948 WeakPolarHBondContact CD-OE1 3.39Å; K867-E948 VanDerWaalsContact CE-OE1 3.31Å; K867-E948 WeakPolarHBondContact CE-OE1 3.36Å; K867-E948 IonicContact NZ-OE1 3.41Å; K867-E948 PolarHBondContact NZ-OE1 3.24Å; K867-Q949 CarbonylContact C-O 3.56Å; K867-Q949 WeakPolarHBondContact CA-O 3.47Å; K867-T950 HydrophobicContact CG-CG2 4.44Å
868T88.1Confident84.1Confident20 Ų2052 Ų5212%0.12327%0.272CS..EExtended strand (participates in β ladder)trans-123.8159.6179.757.60000110.3L540 E948 Q949 Q951L540-T868 HydrophobicContact CD2-CG2 3.13Å; L540-T868 HydrophobicContact CG-CG2 4.44Å; T868-E948 CarbonylContact O-C 3.53Å; T868-E948 WeakPolarHBondContact O-CA 3.5Å; T868-Q949 PolarHBondContact N-O 2.68Å; T868-Q949 PolarHBondContact O-N 2.88Å; T868-Q951 PolarHBondContact OG1-OE1 2.88Å
869Y87.8Confident82.4Confident71 Ų7157.8 Ų57.828%0.27830%0.295SS..EExtended strand (participates in β ladder)trans-116.6124.3177.5-64.1-76.9000108.8I946 T947 E948 P1013Y869-I946 HydrophobicContact CD1-CG2 4Å; Y869-I946 HydrophobicContact CG-CG2 4.48Å; Y869-T947 CarbonylContact C-O 3.54Å; Y869-T947 WeakPolarHBondContact CA-O 3.34Å; Y869-E948 HydrophobicContact CD1-CB 4.17Å; Y869-E948 HydrophobicContact CD1-CG 4.41Å; Y869-E948 HydrophobicContact CE1-CB 4.02Å; Y869-E948 HydrophobicContact CE1-CG 4.01Å; Y869-P1013 HydrophobicContact CD2-CG 4.42Å; Y869-P1013 HydrophobicContact CE2-CB 4.36Å; Y869-P1013 HydrophobicContact CE2-CG 4.28Å
870D86.4Confident80.2Confident37 Ų3757.4 Ų57.420%0.19829%0.293CS..EExtended strand (participates in β ladder)trans-96.2113.9166.3179.215.2000109.5Q872 S873 I946 T947D870-Q872 PolarHBondContact OD1-N 3.21Å; D870-S873 PolarHBondContact O-OG 3.22Å; D870-S873 VanDerWaalsContact O-OG 3.12Å; D870-S873 WeakPolarHBondContact OD2-CB 3.46Å; D870-I946 WeakPolarHBondContact O-CA 3.25Å; D870-T947 PolarHBondContact N-O 2.77Å; D870-T947 PolarHBondContact O-N 3.06Å
871Y82.6Confident77.6Confident36 Ų3663.2 Ų63.214%0.14132%0.322CS..SBendtrans-87.3-4.7-179.6-59.8-78.5000113.4R285 L533 D537 I946R285-Y871 PolarHBondContact NH1-OH 2.82Å; R285-Y871 VanDerWaalsContact NH2-CD1 3.33Å; R285-Y871 VanDerWaalsContact NH2-CE2 3.3Å; R285-Y871 PolarHBondContact NH2-OH 2.81Å; L533-Y871 HydrophobicContact CD1-CD2 4.19Å; D537-Y871 HydrophobicContact CB-CD2 3.98Å; D537-Y871 HydrophobicContact CB-CE2 3.65Å; Y871-I946 HydrophobicContact CD1-CD1 3.78Å; Y871-I946 HydrophobicContact CD1-CG1 3.81Å; Y871-I946 HydrophobicContact CD1-CG2 4Å; Y871-I946 HydrophobicContact CE1-CD1 3.9Å; Y871-I946 HydrophobicContact CE1-CG1 4.32Å; Y871-I946 HydrophobicContact CE1-CG2 4.03Å
872Q80.5Confident75.1Confident12 Ų1268.7 Ų68.76%0.05634%0.34CS..SBendtrans-110.88.5-177.3-59.4-167.9-38.900113.3N499 Q501 D870N499-Q872 PolarHBondContact O-OE1 2.88Å; Q501-Q872 PolarHBondContact O-NE2 3.1Å; Q501-Q872 PolarHBondContact O-OE1 3.28Å; D870-Q872 PolarHBondContact OD1-N 3.21Å
873S79.7Confident72.4Confident7 Ų772.9 Ų72.95%0.04938%0.375CS..  trans-76.1169.1179.457.10000113.3D870 S944 C945 T947D870-S873 PolarHBondContact O-OG 3.22Å; D870-S873 VanDerWaalsContact O-OG 3.12Å; D870-S873 WeakPolarHBondContact OD2-CB 3.46Å; S873-S944 WeakPolarHBondContact O-CA 3.45Å; S873-C945 PolarHBondContact O-N 3.13Å; S873-C945 VanDerWaalsContact O-N 3.12Å; S873-C945 PolarHBondContact OG-O 3.37Å; S873-C945 VanDerWaalsContact OG-O 3.1Å; S873-T947 WeakPolarHBondContact CB-OG1 3Å; S873-T947 VanDerWaalsContact OG-CG2 3.27Å; S873-T947 WeakPolarHBondContact OG-CG2 3Å; S873-T947 PolarHBondContact OG-N 2.98Å; S873-T947 PolarHBondContact OG-OG1 3.32Å
874V78.2Confident69.5Low42 Ų4277.7 Ų77.726%0.25541%0.414SS..EExtended strand (participates in β ladder)trans-130.2122.7-174.5-175.50000110V504 K942 E943 C945V504-V874 HydrophobicContact CB-CG2 3.9Å; V504-V874 HydrophobicContact CG1-CG2 4.49Å; V874-K942 HydrophobicContact CG1-CB 3.46Å; V874-K942 VanDerWaalsContact CG1-CB 3.46Å; V874-K942 HydrophobicContact CG1-CD 3.79Å; V874-K942 HydrophobicContact CG1-CG 3.95Å; V874-E943 WeakPolarHBondContact CA-O 3.41Å; V874-C945 VanDerWaalsContact C-SG 3.54Å
875C76.4Confident66.7Low20 Ų2081.2 Ų81.214%0.13545%0.445CS..EExtended strand (participates in β ladder)trans-118.6157.3-178.7-60.20000111.2K942 E943 C945C875-K942 WeakPolarHBondContact O-CA 3.27Å; C875-E943 PolarHBondContact N-O 2.83Å; C875-E943 PolarHBondContact O-N 3.33Å; C875-C945 VanDerWaalsContact CA-SG 3.59Å; C875-C945 HydrophobicContact CB-CB 3.49Å; C875-C945 VanDerWaalsContact CB-CB 3.49Å; C875-C945 WeakPolarHBondContact CB-SG 3.45Å; C875-C945 PolarHBondContact N-SG 3.09Å; C875-C945 WeakPolarHBondContact SG-CB 3.45Å; C875-C945 CovalentContact SG-SG 2Å; C875-C945 PolarHBondContact SG-SG 2.95Å
876D73.6Confident63.8Low106 Ų10679.2 Ų79.257%0.56745%0.449SS*.PPolyproline II helixtrans-70.7139.3166.3-56.8-33.5000108.8E878D876-E878 PolarHBondContact O-N 2.78Å
877P67.3Low60.9Low59 Ų5982 Ų8238%0.38347%0.47SS..PPolyproline II helixtrans-62.7135.8-177.725.2-34.1000110.1K879 F941 E943P877-K879 PolarHBondContact O-N 2.72Å; P877-F941 WeakPolarHBondContact CD-O 3.41Å; P877-F941 HydrophobicContact CG-CB 4.11Å; P877-E943 HydrophobicContact CB-CG 4.48Å
878E61.5Low58.3Low156 Ų15689 Ų8973%0.72949%0.494SS*.PPolyproline II helixtrans-62.6126.1171.3-66.8-167.1166.500109D876 D880D876-E878 PolarHBondContact O-N 2.78Å; E878-D880 PolarHBondContact O-N 3.33Å
879K53.5Low55.9Low151 Ų15193 Ų9366%0.65752%0.523SS*.  trans-68.391166.5-72.5-174.1-178.1-177.90106.7P877 N881 D938P877-K879 PolarHBondContact O-N 2.72Å; K879-N881 PolarHBondContact O-N 3.26Å; K879-D938 VanDerWaalsContact NZ-CG 3.34Å; K879-D938 IonicContact NZ-OD1 3.76Å; K879-D938 PolarHBondContact NZ-OD1 2.73Å; K879-D938 IonicContact NZ-OD2 2.76Å; K879-D938 PolarHBondContact NZ-OD2 3.4Å
880D43.5Very low53.3Low112 Ų11296.7 Ų96.760%0.59955%0.546SS*.  trans-52.3112.4162.4-83.8-24.6000106.2E878 K882E878-D880 PolarHBondContact O-N 3.33Å; D880-K882 HydrophobicContact CB-CG 3.86Å; D880-K882 PolarHBondContact O-N 2.96Å
881N34.6Very low51.3Low165 Ų165103.2 Ų103.288%0.88257%0.569SS**  trans-66.970.5161.3-81.2-32.7000106.6K879 A883K879-N881 PolarHBondContact O-N 3.26Å; N881-A883 PolarHBondContact O-N 3.41Å
882K36.5Very low49.2Very low169 Ų169107.2 Ų107.274%0.73560%0.597SS**  trans-62.391.5160.6-64.9-173.7-176.8170.70103.4D880 A884D880-K882 HydrophobicContact CB-CG 3.86Å; D880-K882 PolarHBondContact O-N 2.96Å; K882-A884 VanDerWaalsContact C-N 3.31Å; K882-A884 PolarHBondContact O-N 3.3Å
883A35.1Very low47.2Very low89 Ų89109.7 Ų109.774%0.73661%0.614SS**  trans-44.1110.4160.900000104.3N881 A885N881-A883 PolarHBondContact O-N 3.41Å; A883-A885 PolarHBondContact O-N 3.15Å
884A29.7Very low45.9Very low101 Ų101113.3 Ų113.384%0.83564%0.636SS**  trans-58.391.7-172.700000107.5K882 G886K882-A884 VanDerWaalsContact C-N 3.31Å; K882-A884 PolarHBondContact O-N 3.3Å; A884-G886 PolarHBondContact O-N 3.21Å
885A33.9Very low44.8Very low98 Ų98118.4 Ų118.481%0.8166%0.66SS**  trans-74.882.8167.500000103.7A883A883-A885 PolarHBondContact O-N 3.15Å
886G31.2Very low43.8Very low46 Ų46121.2 Ų121.247%0.47469%0.685SS.*  trans-48.7148.3172.200000109.3A884 R888A884-G886 PolarHBondContact O-N 3.21Å; G886-R888 VanDerWaalsContact C-N 3.35Å; G886-R888 PolarHBondContact O-N 3.01Å
887P29.9Very low42.5Very low119 Ų119119 Ų11977%0.77367%0.673SS**  trans-60.798.4-179.326.1-33000108.6S889P887-S889 PolarHBondContact O-N 2.91Å
888R34.9Very low41.9Very low252 Ų252123.2 Ų123.295%0.95169%0.685SS**  trans-8076.4169.5-78.3-167.6179177.41.9108.4G886G886-R888 VanDerWaalsContact C-N 3.35Å; G886-R888 PolarHBondContact O-N 3.01Å
889S37.3Very low41.5Very low106 Ų106122.5 Ų122.574%0.74169%0.686SS**  trans-13758.1157.366.90000109.1P887P887-S889 PolarHBondContact O-N 2.91Å
890I32.6Very low41.7Very low148 Ų148118 Ų11876%0.75967%0.673SS**  trans-106109.3160.5-65.3171.6000105.9V892I890-V892 PolarHBondContact O-N 3.11Å
891Y44.2Very low42.4Very low173 Ų173119.5 Ų119.568%0.67868%0.68SS**  trans-57.4116.4167.8179.8-95.7000107.9P893 D897Y891-P893 HydrophobicContact CD1-CB 4.47Å; Y891-P893 HydrophobicContact CE1-CB 4.21Å; Y891-P893 VanDerWaalsContact O-CD 3.28Å; Y891-P893 WeakPolarHBondContact O-CD 3.48Å; Y891-D897 PolarHBondContact OH-OD2 3.16Å; Y891-D897 VanDerWaalsContact OH-OD2 3.04Å
892V39Very low43.4Very low121 Ų121114.4 Ų114.473%0.73367%0.667SS**  trans-84.9108.9173.3-179.30000106.6I890 T894I890-V892 PolarHBondContact O-N 3.11Å; V892-T894 PolarHBondContact O-N 3.36Å
893P38Very low44.2Very low63 Ų63113.2 Ų113.241%0.40966%0.658SS.*  trans-65.3137.9-178.626.5-32000109.7Y891 D897Y891-P893 HydrophobicContact CD1-CB 4.47Å; Y891-P893 HydrophobicContact CE1-CB 4.21Å; Y891-P893 VanDerWaalsContact O-CD 3.28Å; Y891-P893 WeakPolarHBondContact O-CD 3.48Å; P893-D897 HydrophobicContact CB-CB 3.89Å
894T52.9Low45.1Very low84 Ų84115.6 Ų115.652%0.51565%0.648SS.*  trans-77.7161.8174.261.90000109.9V892 A896 D897V892-T894 PolarHBondContact O-N 3.36Å; T894-A896 PolarHBondContact O-N 3Å; T894-D897 PolarHBondContact N-OD2 3.44Å; T894-D897 VanDerWaalsContact N-OD2 3.15Å; T894-D897 WeakPolarHBondContact O-CB 3.5Å; T894-D897 PolarHBondContact O-N 3.07Å; T894-D897 PolarHBondContact OG1-OD2 2.85Å
895I55.4Low46.7Very low149 Ų149114 Ų11476%0.76463%0.634SS**THydrogen-bonded Turntrans-57.3-20.5-179.3-65.6166.6000112.2
896A55.4Low47.9Very low78 Ų78112.3 Ų112.365%0.64562%0.617SS**THydrogen-bonded Turntrans-71.6-30172.800000113.6T894T894-A896 PolarHBondContact O-N 3Å
897D46.9Very low48.9Very low59 Ų59113.5 Ų113.532%0.31661%0.612SS.*G310 helixtrans-78-26.3-179.3-62.6-36.1000112Y891 P893 T894 L899Y891-D897 PolarHBondContact OH-OD2 3.16Å; Y891-D897 VanDerWaalsContact OH-OD2 3.04Å; P893-D897 HydrophobicContact CB-CB 3.89Å; T894-D897 PolarHBondContact N-OD2 3.44Å; T894-D897 VanDerWaalsContact N-OD2 3.15Å; T894-D897 WeakPolarHBondContact O-CB 3.5Å; T894-D897 PolarHBondContact O-N 3.07Å; T894-D897 PolarHBondContact OG1-OD2 2.85Å; D897-L899 VanDerWaalsContact C-N 3.27Å; D897-L899 PolarHBondContact O-N 2.76Å
898F53.2Low50.3Low148 Ų148110.1 Ų110.165%0.64959%0.594SS**G310 helixtrans-73.4-14.9-179-131.7-88.6000113.9
899L53.7Low51.6Low142 Ų142100.9 Ų100.974%0.74357%0.572SS**G310 helixtrans-96.70.5-171.7-77.3163.2000114.7D897D897-L899 VanDerWaalsContact C-N 3.27Å; D897-L899 PolarHBondContact O-N 2.76Å
900S58.1Low52.5Low56 Ų56103.3 Ų103.339%0.39257%0.565SS.*  trans-99.385176.578.30000112.4G902 W903S900-G902 PolarHBondContact O-N 3.34Å; S900-G902 VanDerWaalsContact O-N 3.14Å; S900-W903 PolarHBondContact O-N 3.09Å; S900-W903 WeakPolarHBondContact OG-CB 3.5Å
901I57.7Low53.8Low143 Ų14399 Ų9973%0.73355%0.548SS*.Hα-helixtrans-61.1-22.5178.8-68.7167.9000112.5A905I901-A905 PolarHBondContact O-N 2.97Å
902G55.9Low54.8Low59 Ų5995.6 Ų95.661%0.60854%0.541SS*.Hα-helixtrans-71.6-24.1176.900000115.1S900 S906S900-G902 PolarHBondContact O-N 3.34Å; S900-G902 VanDerWaalsContact O-N 3.14Å; G902-S906 PolarHBondContact O-OG 3.41Å
903W53.8Low55.7Low144 Ų14493.9 Ų93.955%0.54553%0.527SS..Hα-helixtrans-81.3-36.9179.8-171.774.9000112S900 A905 S906 N907S900-W903 PolarHBondContact O-N 3.09Å; S900-W903 WeakPolarHBondContact OG-CB 3.5Å; W903-A905 PolarHBondContact O-N 3.16Å; W903-S906 PolarHBondContact O-N 3.14Å; W903-S906 PolarHBondContact O-OG 3.24Å; W903-S906 VanDerWaalsContact O-OG 3.09Å; W903-N907 WeakPolarHBondContact CZ2-ND2 3.3Å; W903-N907 PolarHBondContact NE1-ND2 3.27Å; W903-N907 WeakPolarHBondContact O-CB 3.49Å; W903-N907 PolarHBondContact O-N 3.13Å
904W52.9Low56.6Low139 Ų13995.7 Ų95.753%0.52753%0.53SS..Hα-helixtrans-64-39.9174.1-72.399.9000112.5S906 A908W904-S906 PolarHBondContact O-N 3.4Å; W904-A908 WeakPolarHBondContact O-CB 3.42Å; W904-A908 PolarHBondContact O-N 3.43Å
905A62.8Low56.7Low67 Ų6798 Ų9855%0.55454%0.535SS*.Hα-helixtrans-66.5-37179.800000112.8I901 W903 A909I901-A905 PolarHBondContact O-N 2.97Å; W903-A905 PolarHBondContact O-N 3.16Å; A905-A909 WeakPolarHBondContact O-CB 3.48Å; A905-A909 PolarHBondContact O-N 2.85Å; A905-A909 VanDerWaalsContact O-N 3.16Å
906S59.9Low56.7Low63 Ų6395.5 Ų95.544%0.44152%0.522SS..Hα-helixtrans-77.7-42.7-179.440.70000112.3G902 W903 W904 W910G902-S906 PolarHBondContact O-OG 3.41Å; W903-S906 PolarHBondContact O-N 3.14Å; W903-S906 PolarHBondContact O-OG 3.24Å; W903-S906 VanDerWaalsContact O-OG 3.09Å; W904-S906 PolarHBondContact O-N 3.4Å; S906-W910 WeakPolarHBondContact O-CB 3.48Å; S906-W910 PolarHBondContact O-N 2.88Å
907N53.1Low56.4Low70 Ų7098.5 Ų98.537%0.37452%0.521SS..Hα-helixtrans-72.9-35.7177.2-77-14.3000113.3W903 W910 S911W903-N907 WeakPolarHBondContact CZ2-ND2 3.3Å; W903-N907 PolarHBondContact NE1-ND2 3.27Å; W903-N907 WeakPolarHBondContact O-CB 3.49Å; W903-N907 PolarHBondContact O-N 3.13Å; N907-W910 PolarHBondContact O-N 3.25Å; N907-S911 VanDerWaalsContact O-CB 3.32Å; N907-S911 WeakPolarHBondContact O-CB 3.27Å; N907-S911 PolarHBondContact O-N 3.23Å
908A57.7Low56.5Low48 Ų48102.1 Ų102.140%0.39753%0.534SS..Hα-helixtrans-67-41.7173.600000111.2W904 W910 S911 I912W904-A908 WeakPolarHBondContact O-CB 3.42Å; W904-A908 PolarHBondContact O-N 3.43Å; A908-W910 VanDerWaalsContact C-N 3.34Å; A908-W910 PolarHBondContact O-N 3.25Å; A908-S911 PolarHBondContact O-N 3.49Å; A908-I912 WeakPolarHBondContact O-CB 3.46Å; A908-I912 WeakPolarHBondContact O-CD1 3.36Å; A908-I912 WeakPolarHBondContact O-CG1 3.44Å; A908-I912 PolarHBondContact O-N 3.29Å
909A62.6Low56.4Low59 Ų5998.5 Ų98.549%0.48853%0.527SS..Hα-helixtrans-63.9-39.3175.200000112.1A905 L913A905-A909 WeakPolarHBondContact O-CB 3.48Å; A905-A909 PolarHBondContact O-N 2.85Å; A905-A909 VanDerWaalsContact O-N 3.16Å; A909-L913 WeakPolarHBondContact O-CB 3.34Å; A909-L913 PolarHBondContact O-N 2.03Å
910W57.4Low56.1Low157 Ų15798.4 Ų98.460%0.59553%0.527SS*.Hα-helixtrans-68.9-39.7177.4-164.9-107.4000112.7S906 N907 A908 L913 Q914S906-W910 WeakPolarHBondContact O-CB 3.48Å; S906-W910 PolarHBondContact O-N 2.88Å; N907-W910 PolarHBondContact O-N 3.25Å; A908-W910 VanDerWaalsContact C-N 3.34Å; A908-W910 PolarHBondContact O-N 3.25Å; W910-L913 HydrophobicContact CE3-CD2 4.03Å; W910-L913 HydrophobicContact CZ3-CD2 3.87Å; W910-L913 PolarHBondContact O-N 3.27Å; W910-Q914 PolarHBondContact O-N 2.99Å
911S58.8Low55.5Low58 Ų58101 Ų10141%0.40654%0.535SS..Hα-helixtrans-65.7-40.6175.5-170.60000112.2N907 A908 Q914 Q915N907-S911 VanDerWaalsContact O-CB 3.32Å; N907-S911 WeakPolarHBondContact O-CB 3.27Å; N907-S911 PolarHBondContact O-N 3.23Å; A908-S911 PolarHBondContact O-N 3.49Å; S911-Q914 PolarHBondContact O-N 3.18Å; S911-Q915 PolarHBondContact O-N 2.79Å
912I64.5Low55.1Low101 Ų101100.6 Ų100.652%0.51853%0.529SS..Hα-helixtrans-68.2-38.1176.7-68.3166.3000110.6A908 Q915 L916A908-I912 WeakPolarHBondContact O-CB 3.46Å; A908-I912 WeakPolarHBondContact O-CD1 3.36Å; A908-I912 WeakPolarHBondContact O-CG1 3.44Å; A908-I912 PolarHBondContact O-N 3.29Å; I912-Q915 PolarHBondContact O-N 3.04Å; I912-L916 HydrophobicContact CG2-CD1 4.05Å; I912-L916 WeakPolarHBondContact O-CB 3.43Å; I912-L916 PolarHBondContact O-N 3.49Å
913L59.5Low54.6Low84 Ų84103 Ų10344%0.4453%0.533SS..Hα-helixtrans-64.2-42.2175.1-168.481.2000111.6A909 W910 L916 F917A909-L913 WeakPolarHBondContact O-CB 3.34Å; A909-L913 PolarHBondContact O-N 2.03Å; W910-L913 HydrophobicContact CE3-CD2 4.03Å; W910-L913 HydrophobicContact CZ3-CD2 3.87Å; W910-L913 PolarHBondContact O-N 3.27Å; L913-L916 PolarHBondContact O-N 3.12Å; L913-F917 PolarHBondContact O-N 2.91Å
914Q55.8Low54Low102 Ų102103.7 Ų103.748%0.47755%0.548SS..Hα-helixtrans-63.6-42.4174.5-86.6-178.3-46.500112W910 S911 F917 F918W910-Q914 PolarHBondContact O-N 2.99Å; S911-Q914 PolarHBondContact O-N 3.18Å; Q914-F917 PolarHBondContact O-N 2.98Å; Q914-F918 WeakPolarHBondContact O-CD2 3.31Å; Q914-F918 PolarHBondContact O-N 3.19Å
915Q56.4Low53.4Low132 Ų132104.4 Ų104.462%0.61756%0.561SS**Hα-helixtrans-67.2-36.3176.8-95.5163.6-38.100112.9S911 I912 S919S911-Q915 PolarHBondContact O-N 2.79Å; I912-Q915 PolarHBondContact O-N 3.04Å; Q915-S919 VanDerWaalsContact O-CB 3.27Å; Q915-S919 WeakPolarHBondContact O-CB 3.25Å; Q915-S919 PolarHBondContact O-N 2.93Å; Q915-S919 PolarHBondContact O-OG 2.86Å
916L54.8Low52.1Low96 Ų96109 Ų10950%0.50358%0.575SS.*Hα-helixtrans-64-43.4171.7-86.5159.1000111.6I912 L913 S919 L920I912-L916 HydrophobicContact CG2-CD1 4.05Å; I912-L916 WeakPolarHBondContact O-CB 3.43Å; I912-L916 PolarHBondContact O-N 3.49Å; L913-L916 PolarHBondContact O-N 3.12Å; L916-S919 WeakPolarHBondContact CA-OG 3.42Å; L916-S919 PolarHBondContact O-N 2.84Å; L916-S919 PolarHBondContact O-OG 3.36Å; L916-L920 WeakPolarHBondContact O-CB 3.23Å; L916-L920 PolarHBondContact O-N 3.48Å; L916-L920 VanDerWaalsContact O-N 3.1Å
917F48.3Very low50.8Low141 Ų141115.2 Ų115.262%0.61860%0.598SS**Hα-helixtrans-64.1-42.3176.2-111.5-88.2000113.1L913 Q914 L920 L921L913-F917 PolarHBondContact O-N 2.91Å; Q914-F917 PolarHBondContact O-N 2.98Å; F917-L920 PolarHBondContact O-N 2.67Å; F917-L921 HydrophobicContact CD1-CD1 3.92Å; F917-L921 WeakPolarHBondContact O-CB 3.43Å; F917-L921 WeakPolarHBondContact O-CG 3.49Å; F917-L921 PolarHBondContact O-N 2.81Å; F917-L921 VanDerWaalsContact O-N 3.16Å
918F50.2Low49.8Very low136 Ų136115.7 Ų115.760%0.59661%0.611SS**Hα-helixtrans-67.1-38.5176.2-96.3-83.3000112.4Q914 L920 L921 F922Q914-F918 WeakPolarHBondContact O-CD2 3.31Å; Q914-F918 PolarHBondContact O-N 3.19Å; F918-L920 VanDerWaalsContact C-N 3.31Å; F918-L920 PolarHBondContact O-N 3.11Å; F918-L921 PolarHBondContact O-N 3.41Å; F918-F922 HydrophobicContact CD1-CD2 4.43Å; F918-F922 PolarHBondContact O-N 2.69Å
919S50.8Low48.5Very low71 Ų71119.8 Ų119.850%0.49763%0.631SS.*Hα-helixtrans-67.1-29.2176.9740000113.8Q915 L916Q915-S919 VanDerWaalsContact O-CB 3.27Å; Q915-S919 WeakPolarHBondContact O-CB 3.25Å; Q915-S919 PolarHBondContact O-N 2.93Å; Q915-S919 PolarHBondContact O-OG 2.86Å; L916-S919 WeakPolarHBondContact CA-OG 3.42Å; L916-S919 PolarHBondContact O-N 2.84Å; L916-S919 PolarHBondContact O-OG 3.36Å
920L48.3Very low46.8Very low140 Ų140125.9 Ų125.973%0.73365%0.649SS**Hα-helixtrans-83.3-28.9178.8-103149.7000113.2L916 F917 F918L916-L920 WeakPolarHBondContact O-CB 3.23Å; L916-L920 PolarHBondContact O-N 3.48Å; L916-L920 VanDerWaalsContact O-N 3.1Å; F917-L920 PolarHBondContact O-N 2.67Å; F918-L920 VanDerWaalsContact C-N 3.31Å; F918-L920 PolarHBondContact O-N 3.11Å
921L44.8Very low45.5Very low110 Ų110123.2 Ų123.258%0.57666%0.655SS**Hα-helixtrans-89.9-24.2-177.5-74.7165.3000113.5F917 F918F917-L921 HydrophobicContact CD1-CD1 3.92Å; F917-L921 WeakPolarHBondContact O-CB 3.43Å; F917-L921 WeakPolarHBondContact O-CG 3.49Å; F917-L921 PolarHBondContact O-N 2.81Å; F917-L921 VanDerWaalsContact O-N 3.16Å; F918-L921 PolarHBondContact O-N 3.41Å
922F48.3Very low44Very low135 Ų135124.5 Ų124.559%0.59267%0.669SS**  trans-141.485.2-176.3-59.4-77.5000112.9F918 N924F918-F922 HydrophobicContact CD1-CD2 4.43Å; F918-F922 PolarHBondContact O-N 2.69Å; F922-N924 VanDerWaalsContact C-N 3.3Å; F922-N924 PolarHBondContact O-N 3.45Å
923P45.1Very low42.6Very low109 Ų109126 Ų12671%0.70868%0.678SS**THydrogen-bonded Turntrans-71-17.1-177.1-17.831.4000115.3
924N42.3Very low41.3Very low159 Ų159129.6 Ų129.685%0.8570%0.698SS**THydrogen-bonded Turntrans-114.920.1-166.5-74.8-1.6000115.2F922F922-N924 VanDerWaalsContact C-N 3.3Å; F922-N924 PolarHBondContact O-N 3.45Å
925L41.1Very low40.2Very low154 Ų154132.2 Ų132.281%0.80672%0.715SS**  trans-114.849.3-179.1-154.785.1000112.4
926L34.8Very low39.2Very low163 Ų163130.1 Ų130.185%0.85371%0.707SS**  trans-140.238173.3-112.6161.9000112A928L926-A928 VanDerWaalsContact C-N 3.31Å
927E32.8Very low38.3Very low195 Ų195129.7 Ų129.791%0.91171%0.71SS**  trans-99.666.5153.6-155.4166.6-152.500106.7V929E927-V929 PolarHBondContact O-N 3.12Å
928A32.3Very low37.7Very low79 Ų79128.5 Ų128.565%0.65371%0.71SS**  trans-79.1102.6175.400000108.2L926 E930L926-A928 VanDerWaalsContact C-N 3.31Å; A928-E930 PolarHBondContact O-N 2.71Å
929V30.1Very low37.2Very low135 Ų135125.9 Ų125.982%0.81871%0.714SS**  trans16.989.9134.6-173.90000113.1E927 S931E927-V929 PolarHBondContact O-N 3.12Å; V929-S931 PolarHBondContact O-N 3.27Å
930E26.5Very low36.7Very low186 Ų186126.3 Ų126.387%0.86971%0.709SS**  trans-62.5120.4151.7-91.3-179.915700107A928 A932A928-E930 PolarHBondContact O-N 2.71Å; E930-A932 PolarHBondContact O-N 3.24Å
931S30.1Very low36.9Very low101 Ų101123.4 Ų123.471%0.70669%0.691SS**  trans-54.9101.8173.348.50000110.4V929 D933V929-S931 PolarHBondContact O-N 3.27Å; S931-D933 VanDerWaalsContact C-N 3.25Å; S931-D933 PolarHBondContact O-N 3.42Å
932A27.8Very low37.7Very low86 Ų86122.6 Ų122.671%0.71168%0.682SS**  trans-9150.1167.400000110.5E930E930-A932 PolarHBondContact O-N 3.24Å
933D34.4Very low38.5Very low133 Ų133119.8 Ų119.871%0.71167%0.671SS**  trans-89.2-1.9-178.4-92.7-15.5000113.8S931S931-D933 VanDerWaalsContact C-N 3.25Å; S931-D933 PolarHBondContact O-N 3.42Å
934D33.5Very low39.8Very low158 Ų158117.5 Ų117.585%0.84566%0.658SS**SBendtrans-103.1-1.9-173.9-83.7-21000115.8
935D32.5Very low41.5Very low158 Ų158111.3 Ų111.385%0.84563%0.627SS**  trans-135.941.9-179.2-76.5-42.1000113.8
936I35.4Very low43.6Very low87 Ų87105.9 Ų105.945%0.44660%0.598SS.*  trans-91.4115.4163-55.9175.8000107.5D938 F941I936-D938 PolarHBondContact O-N 2.96Å; I936-F941 HydrophobicContact CG2-CE2 4.5Å
937P35.5Very low46Very low88 Ų8898.3 Ų98.357%0.57156%0.558SS**  trans-61.1125.7176.521.2-28.9000110.1A939P937-A939 PolarHBondContact O-N 3.38Å
938D35.1Very low48.7Very low116 Ų11690.6 Ų90.662%0.6252%0.522SS*.G310 helixtrans-51.9-3.8-179.3-82.5-37.6000115.1K879 I936 M940K879-D938 VanDerWaalsContact NZ-CG 3.34Å; K879-D938 IonicContact NZ-OD1 3.76Å; K879-D938 PolarHBondContact NZ-OD1 2.73Å; K879-D938 IonicContact NZ-OD2 2.76Å; K879-D938 PolarHBondContact NZ-OD2 3.4Å; I936-D938 PolarHBondContact O-N 2.96Å; D938-M940 VanDerWaalsContact C-N 3.32Å; D938-M940 PolarHBondContact O-N 3.08Å
939A38.8Very low51.3Low81 Ų8187 Ų8767%0.66949%0.492SS*.G310 helixtrans-80.13.6-175.600000115.6P937P937-A939 PolarHBondContact O-N 3.38Å
940M42.2Very low54.1Low79 Ų7981.5 Ų81.539%0.38946%0.459SS..G310 helixtrans-115.53.1-166.9-77.9-170.4170.900116.8F516 L519 D938F516-M940 HydrophobicContact CE2-CE 4.15Å; F516-M940 HydrophobicContact CE2-SD 4.39Å; F516-M940 HydrophobicContact CZ-CE 4.5Å; F516-M940 HydrophobicContact CZ-SD 4.14Å; L519-M940 HydrophobicContact CD1-CB 4.39Å; L519-M940 HydrophobicContact CD1-SD 3.71Å; D938-M940 VanDerWaalsContact C-N 3.32Å; D938-M940 PolarHBondContact O-N 3.08Å
941F52.6Low57.2Low80 Ų8072.7 Ų72.735%0.35142%0.418SS..  trans-120.2114172.7-59.5-77.1000108.9L519 P877 I936L519-F941 HydrophobicContact CD2-CE1 3.88Å; L519-F941 HydrophobicContact CD2-CZ 4.08Å; P877-F941 WeakPolarHBondContact CD-O 3.41Å; P877-F941 HydrophobicContact CG-CB 4.11Å; I936-F941 HydrophobicContact CG2-CE2 4.5Å
942K59.6Low60.1Low92 Ų9268.2 Ų68.240%0.439%0.385SS..  trans-124.9121.5178.1-92.9-166.3-178.8-161.10107.7V874 C875V874-K942 HydrophobicContact CG1-CB 3.46Å; V874-K942 VanDerWaalsContact CG1-CB 3.46Å; V874-K942 HydrophobicContact CG1-CD 3.79Å; V874-K942 HydrophobicContact CG1-CG 3.95Å; C875-K942 WeakPolarHBondContact O-CA 3.27Å
943E66.5Low63.2Low77 Ų7764.8 Ų64.836%0.3635%0.354SS..EExtended strand (participates in β ladder)trans-107150-179.9-60.3-151.7136.900110.7K526 V874 C875 P877 C945K526-E943 IonicContact NZ-OE1 2.74Å; K526-E943 PolarHBondContact NZ-OE1 2.78Å; K526-E943 IonicContact NZ-OE2 2.62Å; K526-E943 PolarHBondContact NZ-OE2 3.5Å; V874-E943 WeakPolarHBondContact CA-O 3.41Å; C875-E943 PolarHBondContact N-O 2.83Å; C875-E943 PolarHBondContact O-N 3.33Å; P877-E943 HydrophobicContact CB-CG 4.48Å; E943-C945 PolarHBondContact O-N 3.04Å
944S71.5Confident65.9Low61 Ų6160.3 Ų60.343%0.42733%0.329SS..EExtended strand (participates in β ladder)trans-64.4126.317056.10000109.4S873S873-S944 WeakPolarHBondContact O-CA 3.45Å
945C78.4Confident68.3Low29 Ų2956.1 Ų56.120%0.19631%0.306CS..  trans-130.7176.7-17962.10000109.7S873 V874 C875 E943S873-C945 PolarHBondContact O-N 3.13Å; S873-C945 VanDerWaalsContact O-N 3.12Å; S873-C945 PolarHBondContact OG-O 3.37Å; S873-C945 VanDerWaalsContact OG-O 3.1Å; V874-C945 VanDerWaalsContact C-SG 3.54Å; C875-C945 VanDerWaalsContact CA-SG 3.59Å; C875-C945 HydrophobicContact CB-CB 3.49Å; C875-C945 VanDerWaalsContact CB-CB 3.49Å; C875-C945 WeakPolarHBondContact CB-SG 3.45Å; C875-C945 PolarHBondContact N-SG 3.09Å; C875-C945 WeakPolarHBondContact SG-CB 3.45Å; C875-C945 CovalentContact SG-SG 2Å; C875-C945 PolarHBondContact SG-SG 2.95Å; E943-C945 PolarHBondContact O-N 3.04Å
946I84.3Confident70.7Confident39 Ų3951.2 Ų51.220%0.228%0.28CS..EExtended strand (participates in β ladder)trans-102.3127.7167.3-56173.4000106Y869 D870 Y871 S1010Y869-I946 HydrophobicContact CD1-CG2 4Å; Y869-I946 HydrophobicContact CG-CG2 4.48Å; D870-I946 WeakPolarHBondContact O-CA 3.25Å; Y871-I946 HydrophobicContact CD1-CD1 3.78Å; Y871-I946 HydrophobicContact CD1-CG1 3.81Å; Y871-I946 HydrophobicContact CD1-CG2 4Å; Y871-I946 HydrophobicContact CE1-CD1 3.9Å; Y871-I946 HydrophobicContact CE1-CG1 4.32Å; Y871-I946 HydrophobicContact CE1-CG2 4.03Å; I946-S1010 PolarHBondContact O-N 3.35Å
947T85.9Confident72.8Confident4 Ų453.6 Ų53.63%0.02529%0.294CS..EExtended strand (participates in β ladder)trans-107129.8171.253.50000109.4Y869 D870 S873 E1007 Q1008Y869-T947 CarbonylContact C-O 3.54Å; Y869-T947 WeakPolarHBondContact CA-O 3.34Å; D870-T947 PolarHBondContact N-O 2.77Å; D870-T947 PolarHBondContact O-N 3.06Å; S873-T947 WeakPolarHBondContact CB-OG1 3Å; S873-T947 VanDerWaalsContact OG-CG2 3.27Å; S873-T947 WeakPolarHBondContact OG-CG2 3Å; S873-T947 PolarHBondContact OG-N 2.98Å; S873-T947 PolarHBondContact OG-OG1 3.32Å; T947-E1007 HydrophobicContact CG2-CB 4.1Å; T947-E1007 PolarHBondContact OG1-OE2 3.36Å; T947-Q1008 CarbonylContact C-O 3.54Å; T947-Q1008 VanDerWaalsContact CA-O 3.23Å; T947-Q1008 WeakPolarHBondContact CA-O 3.37Å
948E89.1Confident75.3Confident33 Ų3354.7 Ų54.715%0.15429%0.291CS..EExtended strand (participates in β ladder)trans-81.6130.9165.9-174.5178.6167.500108.1K867 T868 Y869 Q1008K867-E948 WeakPolarHBondContact CD-OE1 3.39Å; K867-E948 VanDerWaalsContact CE-OE1 3.31Å; K867-E948 WeakPolarHBondContact CE-OE1 3.36Å; K867-E948 IonicContact NZ-OE1 3.41Å; K867-E948 PolarHBondContact NZ-OE1 3.24Å; T868-E948 CarbonylContact O-C 3.53Å; T868-E948 WeakPolarHBondContact O-CA 3.5Å; Y869-E948 HydrophobicContact CD1-CB 4.17Å; Y869-E948 HydrophobicContact CD1-CG 4.41Å; Y869-E948 HydrophobicContact CE1-CB 4.02Å; Y869-E948 HydrophobicContact CE1-CG 4.01Å; E948-Q1008 PolarHBondContact N-O 2.95Å; E948-Q1008 PolarHBondContact O-N 3.17Å
949Q87.2Confident77.7Confident4 Ų456.2 Ų56.22%0.01929%0.288CS..EExtended strand (participates in β ladder)trans-120.3137.2179.1-47.7-170.5-11.900108.8E571 K867 T868 E1007E571-Q949 VanDerWaalsContact CD-NE2 3.33Å; E571-Q949 PolarHBondContact OE1-NE2 2.97Å; E571-Q949 PolarHBondContact OE2-NE2 3.35Å; E571-Q949 PolarHBondContact OE2-OE1 3.47Å; K867-Q949 CarbonylContact C-O 3.56Å; K867-Q949 WeakPolarHBondContact CA-O 3.47Å; T868-Q949 PolarHBondContact N-O 2.68Å; T868-Q949 PolarHBondContact O-N 2.88Å; Q949-E1007 HydrophobicContact CG-CG 4.02Å
950T89.1Confident80Confident19 Ų1955.1 Ų55.112%0.11728%0.275CS..EExtended strand (participates in β ladder)trans-116.1131.5175.9-56.10000108F865 K867 Y952 Q1005F865-T950 HydrophobicContact CB-CG2 3.95Å; F865-T950 HydrophobicContact CD2-CG2 3.82Å; F865-T950 HydrophobicContact CG-CG2 4.14Å; K867-T950 HydrophobicContact CG-CG2 4.44Å; T950-Y952 HydrophobicContact CG2-CD2 4.41Å; T950-Y952 HydrophobicContact CG2-CE2 3.69Å; T950-Q1005 WeakPolarHBondContact O-CG 3.32Å; T950-Q1005 PolarHBondContact O-NE2 2.65Å
951Q91.2Very high82.3Confident2 Ų252 Ų521%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-124.7138.2173.4-66.985.414.900110.2E571 I574 F865 N866 T868E571-Q951 WeakPolarHBondContact O-CG 3.4Å; E571-Q951 PolarHBondContact O-NE2 3Å; I574-Q951 HydrophobicContact CD1-CB 3.55Å; I574-Q951 HydrophobicContact CD1-CG 4.42Å; I574-Q951 HydrophobicContact CG1-CB 3.66Å; I574-Q951 HydrophobicContact CG1-CG 4.28Å; F865-Q951 CarbonylContact C-O 3.59Å; F865-Q951 WeakPolarHBondContact CA-O 3.41Å; F865-Q951 WeakPolarHBondContact CB-O 3.33Å; N866-Q951 PolarHBondContact N-O 3.37Å; N866-Q951 PolarHBondContact O-N 3.44Å; N866-Q951 VanDerWaalsContact O-N 3.08Å; T868-Q951 PolarHBondContact OG1-OE1 2.88Å
952Y91.8Very high84Confident6 Ų652.3 Ų52.32%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-102.8147.5178-68.6-92.1000110.6F845 M854 V858 S864 F865 T950 L1003 Q1005F845-Y952 HydrophobicContact CE1-CE2 4.11Å; F845-Y952 AromaticContact CE2-CD2 3.49Å; F845-Y952 HydrophobicContact CE2-CD2 3.49Å; F845-Y952 VanDerWaalsContact CE2-CD2 3.49Å; F845-Y952 AromaticContact CE2-CE2 3.76Å; F845-Y952 HydrophobicContact CE2-CE2 3.76Å; F845-Y952 HydrophobicContact CE2-CG 4.15Å; F845-Y952 AromaticContact CZ-CD2 3.54Å; F845-Y952 HydrophobicContact CZ-CD2 3.54Å; F845-Y952 HydrophobicContact CZ-CE1 4.46Å; F845-Y952 AromaticContact CZ-CE2 3.28Å; F845-Y952 HydrophobicContact CZ-CE2 3.28Å; F845-Y952 HydrophobicContact CZ-CG 4.27Å; F845-Y952 AromaticContact CZ-CZ 3.81Å; M854-Y952 HydrophobicContact CE-CD1 3.86Å; M854-Y952 HydrophobicContact CE-CE1 4.18Å; M854-Y952 HydrophobicContact CE-CG 4.16Å; V858-Y952 HydrophobicContact CG2-CD1 4.28Å; V858-Y952 HydrophobicContact CG2-CE1 3.76Å; S864-Y952 WeakPolarHBondContact O-CA 3.17Å; F865-Y952 HydrophobicContact CB-CD1 3.63Å; F865-Y952 HydrophobicContact CB-CE1 3.53Å; F865-Y952 HydrophobicContact CB-CE2 4.43Å; F865-Y952 HydrophobicContact CB-CG 4.12Å; F865-Y952 AromaticContact CD1-CE1 3.82Å; F865-Y952 HydrophobicContact CD1-CE1 3.82Å; F865-Y952 HydrophobicContact CG-CD1 4.48Å; F865-Y952 AromaticContact CG-CE1 3.93Å; F865-Y952 HydrophobicContact CG-CE1 3.93Å; T950-Y952 HydrophobicContact CG2-CD2 4.41Å; T950-Y952 HydrophobicContact CG2-CE2 3.69Å; Y952-L1003 WeakPolarHBondContact OH-CD2 3.11Å; Y952-Q1005 HydrophobicContact CD2-CG 4.16Å; Y952-Q1005 HydrophobicContact CE2-CB 4.45Å; Y952-Q1005 HydrophobicContact CE2-CG 4.28Å
953F92.8Very high85.3Confident15 Ų1548.9 Ų48.97%0.06626%0.262CS..EExtended strand (participates in β ladder)trans-154.6165.8175.864.5-83.6000110.8L565 I574 D826 S864 N866 D955L565-F953 HydrophobicContact CD1-CE1 4.25Å; L565-F953 HydrophobicContact CD1-CE2 4.46Å; L565-F953 HydrophobicContact CD1-CZ 3.88Å; L565-F953 HydrophobicContact CD2-CD2 4.42Å; L565-F953 HydrophobicContact CD2-CE2 4.07Å; L565-F953 HydrophobicContact CD2-CZ 4.27Å; I574-F953 HydrophobicContact CB-CB 4.24Å; I574-F953 HydrophobicContact CB-CD1 4.05Å; I574-F953 HydrophobicContact CB-CG 4.33Å; I574-F953 HydrophobicContact CD1-CD1 4.23Å; I574-F953 HydrophobicContact CD1-CE1 4.49Å; I574-F953 HydrophobicContact CG2-CD1 4.09Å; I574-F953 HydrophobicContact CG2-CG 4.27Å; I574-F953 WeakPolarHBondContact O-CB 3.33Å; D826-F953 VanDerWaalsContact O-CA 3.31Å; D826-F953 WeakPolarHBondContact O-CA 3.36Å; S864-F953 PolarHBondContact N-O 2.73Å; S864-F953 PolarHBondContact O-N 3.02Å; N866-F953 HydrophobicContact CB-CE1 4.48Å; F953-D955 HydrophobicContact CE2-CB 4.12Å
954F91.8Very high86.3Confident39 Ų3948.9 Ų48.917%0.17127%0.267CS..  trans-81.8119.1172.8-64.5-36.3000111.3D826 L862 Y863 N983 V985D826-F954 HydrophobicContact CB-CD2 3.58Å; D826-F954 HydrophobicContact CB-CE2 3.49Å; D826-F954 VanDerWaalsContact CB-CE2 3.49Å; D826-F954 HydrophobicContact CB-CG 4.2Å; D826-F954 HydrophobicContact CB-CZ 4.05Å; L862-F954 HydrophobicContact CD1-CE1 4.44Å; Y863-F954 AromaticContact CD1-CD1 3.98Å; Y863-F954 HydrophobicContact CD1-CD1 3.98Å; Y863-F954 AromaticContact CD1-CE1 3.89Å; Y863-F954 HydrophobicContact CD1-CE1 3.89Å; Y863-F954 AromaticContact CE1-CD1 3.87Å; Y863-F954 HydrophobicContact CE1-CD1 3.87Å; Y863-F954 AromaticContact CE1-CE1 3.32Å; Y863-F954 HydrophobicContact CE1-CE1 3.32Å; Y863-F954 HydrophobicContact CE1-CZ 4.14Å; Y863-F954 HydrophobicContact CE2-CE1 4.32Å; Y863-F954 AromaticContact CZ-CE1 3.57Å; F954-N983 WeakPolarHBondContact CE2-O 3.47Å; F954-V985 HydrophobicContact CE1-CG1 4.4Å; F954-V985 HydrophobicContact CZ-CB 4.06Å; F954-V985 HydrophobicContact CZ-CG1 4.06Å
955D82.7Confident86.8Confident70 Ų7046.2 Ų46.237%0.37425%0.248SC..  trans-95.9-39.6-178.1-165.530.2000112.7R576 S864 F953R576-D955 IonicContact CZ-OD1 2.7Å; R576-D955 PolarHBondContact NH1-O 2.98Å; R576-D955 PolarHBondContact NH2-O 3.42Å; R576-D955 IonicContact NH2-OD1 2.76Å; R576-D955 PolarHBondContact NH2-OD1 2.89Å; S864-D955 WeakPolarHBondContact OG-CB 3.23Å; S864-D955 PolarHBondContact OG-OD2 3.06Å; F953-D955 HydrophobicContact CE2-CB 4.12Å
956N82.7Confident87Confident54 Ų5451 Ų5129%0.28927%0.272SS..  trans-106.5140.8-177.5-169.54.7000111.2E958 K978N956-E958 VanDerWaalsContact C-N 3.28Å; N956-E958 PolarHBondContact ND2-OE1 2.89Å; N956-E958 PolarHBondContact O-N 2.82Å; N956-E958 PolarHBondContact OD1-N 3.42Å; N956-K978 PolarHBondContact O-NZ 3.14Å
957D80.6Confident86.7Confident138 Ų13850.4 Ų50.474%0.73827%0.271SS*.  trans-87.46.3-177.4-66.6-35.9000113.4R959D957-R959 PolarHBondContact O-N 2.92Å
958E87.9Confident86.3Confident110 Ų11053.8 Ų53.851%0.51431%0.307SS..  trans-58.7138.9172.4-74.9-176.2-157.300111N956 Y961 K978N956-E958 VanDerWaalsContact C-N 3.28Å; N956-E958 PolarHBondContact ND2-OE1 2.89Å; N956-E958 PolarHBondContact O-N 2.82Å; N956-E958 PolarHBondContact OD1-N 3.42Å; E958-Y961 HydrophobicContact CB-CE1 4.35Å; E958-Y961 HydrophobicContact CB-CE2 4.05Å; E958-Y961 WeakPolarHBondContact O-CE2 3.48Å; E958-K978 WeakPolarHBondContact O-CD 3.07Å
959R84.3Confident85.9Confident149 Ų14959.7 Ų59.756%0.56234%0.339SS*.SBendtrans-86.5-32.2-173.3-67.1-170.7-179.5-169.90.1113.7D957 E977 K978D957-R959 PolarHBondContact O-N 2.92Å; R959-E977 CarbonylContact O-C 3.54Å; R959-E977 WeakPolarHBondContact O-CA 3.41Å; R959-K978 PolarHBondContact O-N 3.11Å
960S88.4Confident85.7Confident57 Ų5761.1 Ų61.140%0.39935%0.349SS..EExtended strand (participates in β ladder)trans-131.7126.8-168.267.40000111.2A976 E977S960-A976 WeakPolarHBondContact CA-O 3.48Å; S960-E977 WeakPolarHBondContact CB-OE2 3.42Å
961Y89.6Confident85.4Confident14 Ų1463.7 Ų63.76%0.05537%0.368CS..EExtended strand (participates in β ladder)trans-124.6144.2177.2-60.2-102.5000109.1L862 E958 R975 A976L862-Y961 HydrophobicContact CB-CD1 4.29Å; L862-Y961 HydrophobicContact CB-CD2 4.39Å; L862-Y961 HydrophobicContact CB-CE1 4.32Å; L862-Y961 HydrophobicContact CB-CE2 4.42Å; L862-Y961 HydrophobicContact CB-CG 4.3Å; L862-Y961 HydrophobicContact CD1-CD2 3.47Å; L862-Y961 VanDerWaalsContact CD1-CD2 3.47Å; L862-Y961 HydrophobicContact CD1-CE2 3.34Å; L862-Y961 HydrophobicContact CD1-CG 4.21Å; L862-Y961 HydrophobicContact CG-CD2 4.44Å; L862-Y961 HydrophobicContact CG-CE2 4.47Å; E958-Y961 HydrophobicContact CB-CE1 4.35Å; E958-Y961 HydrophobicContact CB-CE2 4.05Å; E958-Y961 WeakPolarHBondContact O-CE2 3.48Å; Y961-R975 WeakPolarHBondContact O-CA 3.29Å; Y961-A976 PolarHBondContact N-O 3.4Å; Y961-A976 PolarHBondContact O-N 3.41Å
962S89.1Confident85.2Confident87 Ų8763.7 Ų63.761%0.60837%0.368SS*.EExtended strand (participates in β ladder)trans-145.9140.9174.859.80000109.9Y974S962-Y974 WeakPolarHBondContact CA-O 3.33Å
963G86.6Confident84.9Confident19 Ų1969 Ų6920%0.19639%0.394CS..EExtended strand (participates in β ladder)trans-153.8167.8179.800000112.3Y974G963-Y974 PolarHBondContact N-O 2.94Å; G963-Y974 VanDerWaalsContact N-O 3.12Å; G963-Y974 WeakPolarHBondContact O-CD1 3.32Å; G963-Y974 PolarHBondContact O-N 3.32Å
964V87.1Confident84.8Confident78 Ų7868.6 Ų68.647%0.47339%0.392SS..EExtended strand (participates in β ladder)trans-115.9131172.6-170.60000107.7N856 M973N856-V964 PolarHBondContact ND2-O 3.36Å; V964-M973 HydrophobicContact CG1-CG 4.3Å; V964-M973 HydrophobicContact CG2-CG 4.09Å
965L83.3Confident84.6Confident5 Ų568.8 Ų68.83%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-95.6108.3175-65.7151.8000107.9V852 L853 N856 S971 R972 Y974V852-L965 HydrophobicContact CG1-CD2 3.98Å; L853-L965 HydrophobicContact CB-CD1 4.45Å; L853-L965 HydrophobicContact CD1-CD1 3.8Å; N856-L965 HydrophobicContact CB-CD2 3.39Å; N856-L965 WeakPolarHBondContact ND2-CD2 3.43Å; L965-S971 CarbonylContact O-C 3.52Å; L965-S971 WeakPolarHBondContact O-CA 3.4Å; L965-R972 HydrophobicContact CB-CB 4.13Å; L965-R972 WeakPolarHBondContact CB-O 3.4Å; L965-R972 HydrophobicContact CD1-CB 3.85Å; L965-R972 PolarHBondContact N-O 3.4Å; L965-R972 PolarHBondContact O-N 3.46Å; L965-Y974 HydrophobicContact CD1-CD1 3.88Å; L965-Y974 HydrophobicContact CD2-CE1 4.47Å; L965-Y974 HydrophobicContact CG-CD1 3.85Å; L965-Y974 HydrophobicContact CG-CE1 4.09Å
966D81.8Confident85Confident128 Ų12865.5 Ų65.568%0.68437%0.374SS*.EExtended strand (participates in β ladder)trans-98.4109175.7-73.6-26.5000110.4G968 S971D966-G968 VanDerWaalsContact C-N 3.33Å; D966-S971 VanDerWaalsContact OD1-CB 3.29Å; D966-S971 WeakPolarHBondContact OD1-CB 3.49Å
967C77.4Confident85.5Confident28 Ų2863.3 Ų63.319%0.18936%0.362CS..  trans-98.830176.8-64.30000112.8N969 C970 C998C967-N969 VanDerWaalsContact C-N 3.31Å; C967-N969 PolarHBondContact O-N 3.17Å; C967-C970 PolarHBondContact N-O 3.36Å; C967-C998 HydrophobicContact CB-CB 3.89Å; C967-C998 WeakPolarHBondContact CB-SG 3.17Å; C967-C998 WeakPolarHBondContact SG-CB 3.08Å; C967-C998 CovalentContact SG-SG 2.01Å; C967-C998 PolarHBondContact SG-SG 3.32Å
968G77.7Confident86Confident75 Ų7558 Ų5877%0.77333%0.333SS*.SBendtrans80.3-64.6-177.100000113.5D966D966-G968 VanDerWaalsContact C-N 3.33Å
969N81.2Confident86.2Confident157 Ų15753 Ų5384%0.8431%0.31SS*.SBendtrans-96.5-15.2-174.9-76.2-6.4000114.6C967C967-N969 VanDerWaalsContact C-N 3.31Å; C967-N969 PolarHBondContact O-N 3.17Å
970C82.9Confident86.4Confident34 Ų3447.4 Ų47.423%0.2329%0.292CS..  trans-143.8150.4178.743.40000109.7C967 C995 S997C967-C970 PolarHBondContact N-O 3.36Å; C970-C995 HydrophobicContact CB-CB 3.67Å; C970-C995 WeakPolarHBondContact CB-SG 3.05Å; C970-C995 WeakPolarHBondContact SG-CA 3.34Å; C970-C995 WeakPolarHBondContact SG-CB 3.2Å; C970-C995 CovalentContact SG-SG 2.01Å; C970-C995 PolarHBondContact SG-SG 2.83Å; C970-S997 PolarHBondContact SG-OG 3.35Å
971S83.4Confident86.4Confident72 Ų7249.4 Ų49.450%0.50330%0.299SS..EExtended strand (participates in β ladder)trans-116.6139.1174.249.60000109.7L965 D966L965-S971 CarbonylContact O-C 3.52Å; L965-S971 WeakPolarHBondContact O-CA 3.4Å; D966-S971 VanDerWaalsContact OD1-CB 3.29Å; D966-S971 WeakPolarHBondContact OD1-CB 3.49Å
972R86.1Confident86.5Confident2 Ų249.3 Ų49.31%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-118.8128.9171.1-70.2172.566.7-160.42.9108.6D850 L965 T989 D990 C995D850-R972 IonicContact OD1-NH1 3.21Å; D850-R972 IonicContact OD2-CZ 2.7Å; D850-R972 IonicContact OD2-NH1 3.28Å; D850-R972 PolarHBondContact OD2-NH1 2.76Å; D850-R972 IonicContact OD2-NH2 3.78Å; D850-R972 PolarHBondContact OD2-NH2 2.86Å; L965-R972 HydrophobicContact CB-CB 4.13Å; L965-R972 WeakPolarHBondContact CB-O 3.4Å; L965-R972 HydrophobicContact CD1-CB 3.85Å; L965-R972 PolarHBondContact N-O 3.4Å; L965-R972 PolarHBondContact O-N 3.46Å; R972-T989 PolarHBondContact NH2-OG1 2.8Å; R972-D990 HydrophobicContact CB-CB 4.26Å; R972-D990 HydrophobicContact CG-CB 4.24Å; R972-D990 PolarHBondContact NE-O 2.74Å; R972-D990 PolarHBondContact NH2-O 2.91Å; R972-C995 HydrophobicContact CG-CB 3.85Å
973M86.1Confident86.7Confident117 Ų11745.4 Ų45.458%0.57627%0.272SS*.EExtended strand (participates in β ladder)trans-91.5138.6172.5-67.5-174.8-83.200109.6V964 T989 D990V964-M973 HydrophobicContact CG1-CG 4.3Å; V964-M973 HydrophobicContact CG2-CG 4.09Å; M973-T989 WeakPolarHBondContact O-CA 3.38Å; M973-T989 PolarHBondContact O-OG1 3.12Å; M973-D990 PolarHBondContact N-OD2 2.8Å; M973-D990 PolarHBondContact O-N 3.48Å; M973-D990 VanDerWaalsContact O-N 3.13Å
974Y89.6Confident87Confident8 Ų844.6 Ų44.63%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-132156.2173.274.5-89.4000111.4L853 N856 L857 T860 S962 G963 L965 L987 I988L853-Y974 HydrophobicContact CD1-CD1 3.7Å; L853-Y974 HydrophobicContact CD1-CD2 3.97Å; L853-Y974 HydrophobicContact CD1-CE1 4.29Å; L853-Y974 HydrophobicContact CD1-CG 3.5Å; L853-Y974 VanDerWaalsContact CD1-CG 3.5Å; N856-Y974 HydrophobicContact CB-CE1 4.33Å; N856-Y974 PolarHBondContact O-OH 2.82Å; L857-Y974 HydrophobicContact CD2-CD2 3.85Å; L857-Y974 HydrophobicContact CD2-CE2 3.45Å; L857-Y974 VanDerWaalsContact CD2-CE2 3.45Å; T860-Y974 WeakPolarHBondContact CG2-OH 3.49Å; T860-Y974 PolarHBondContact OG1-OH 3.27Å; S962-Y974 WeakPolarHBondContact CA-O 3.33Å; G963-Y974 PolarHBondContact N-O 2.94Å; G963-Y974 VanDerWaalsContact N-O 3.12Å; G963-Y974 WeakPolarHBondContact O-CD1 3.32Å; G963-Y974 PolarHBondContact O-N 3.32Å; L965-Y974 HydrophobicContact CD1-CD1 3.88Å; L965-Y974 HydrophobicContact CD2-CE1 4.47Å; L965-Y974 HydrophobicContact CG-CD1 3.85Å; L965-Y974 HydrophobicContact CG-CE1 4.09Å; Y974-L987 HydrophobicContact CD2-CD1 4.07Å; Y974-I988 CarbonylContact C-O 3.46Å; Y974-I988 VanDerWaalsContact CA-O 3.31Å; Y974-I988 WeakPolarHBondContact CA-O 3.35Å
975R88.9Confident87.3Confident42 Ų4241 Ų4116%0.15824%0.241CC..EExtended strand (participates in β ladder)trans-142.7129.9172.7175.9162.4177.4133.36.8110.3S4 I7 Y961 E977 L987 I988S4-R975 PolarHBondContact O-NH2 3.46Å; S4-R975 PolarHBondContact OG-NH1 3.31Å; S4-R975 PolarHBondContact OG-NH2 2.88Å; I7-R975 HydrophobicContact CD1-CB 4.47Å; I7-R975 HydrophobicContact CD1-CG 4.26Å; Y961-R975 WeakPolarHBondContact O-CA 3.29Å; R975-E977 IonicContact CZ-OE2 2.91Å; R975-E977 IonicContact NE-OE2 3.22Å; R975-E977 IonicContact NH2-OE2 3.81Å; R975-E977 PolarHBondContact NH2-OE2 3.18Å; R975-L987 WeakPolarHBondContact O-CA 3.44Å; R975-I988 HydrophobicContact CB-CG2 3.87Å; R975-I988 PolarHBondContact N-O 2.71Å; R975-I988 PolarHBondContact O-N 3.36Å
976A90.9Very high87.8Confident1 Ų140.7 Ų40.71%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-115.1134.2176.800000109.7L857 L862 S960 Y961 V985 F986 L987L857-A976 HydrophobicContact CD2-CB 4.4Å; L862-A976 HydrophobicContact CD2-CB 3.85Å; S960-A976 WeakPolarHBondContact CA-O 3.48Å; Y961-A976 PolarHBondContact N-O 3.4Å; Y961-A976 PolarHBondContact O-N 3.41Å; A976-V985 HydrophobicContact CB-CG2 3.98Å; A976-F986 CarbonylContact C-O 3.59Å; A976-F986 VanDerWaalsContact CA-O 3.31Å; A976-F986 WeakPolarHBondContact CA-O 3.29Å; A976-L987 HydrophobicContact CB-CD1 3.79Å
977E91.8Very high88.3Confident8 Ų834.7 Ų34.74%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-135.8120.8178.9-167.287.9-155.900108.9I7 V11 R959 S960 R975 F986I7-E977 HydrophobicContact CG2-CB 4.22Å; V11-E977 HydrophobicContact CB-CG 4.29Å; V11-E977 HydrophobicContact CG1-CG 4.18Å; V11-E977 HydrophobicContact CG2-CB 4.08Å; V11-E977 HydrophobicContact CG2-CG 4.1Å; R959-E977 CarbonylContact O-C 3.54Å; R959-E977 WeakPolarHBondContact O-CA 3.41Å; S960-E977 WeakPolarHBondContact CB-OE2 3.42Å; R975-E977 IonicContact CZ-OE2 2.91Å; R975-E977 IonicContact NE-OE2 3.22Å; R975-E977 IonicContact NH2-OE2 3.81Å; R975-E977 PolarHBondContact NH2-OE2 3.18Å; E977-F986 PolarHBondContact N-O 2.99Å; E977-F986 PolarHBondContact O-N 3.47Å
978K92.1Very high88.8Confident28 Ų2834 Ų3412%0.12220%0.202CC..EExtended strand (participates in β ladder)trans-74.3137.1-179.4-65.6-175.3-179.9178.80110.8L862 N956 E958 R959 V985L862-K978 HydrophobicContact CD1-CG 4.48Å; N956-K978 PolarHBondContact O-NZ 3.14Å; E958-K978 WeakPolarHBondContact O-CD 3.07Å; R959-K978 PolarHBondContact O-N 3.11Å; K978-V985 HydrophobicContact CG-CB 4.38Å; K978-V985 HydrophobicContact CG-CG2 4.13Å
979L91.3Very high89.3Confident5 Ų530.7 Ų30.73%0.02617%0.167CC..PPolyproline II helixtrans-79.2127.5175.1-81.469.7000109.4V11 Q15 L18 T982 L984 F986V11-L979 HydrophobicContact CG1-CD1 3.94Å; V11-L979 HydrophobicContact CG1-CG 3.9Å; Q15-L979 HydrophobicContact CB-CB 4.41Å; Q15-L979 HydrophobicContact CB-CD2 4.37Å; Q15-L979 HydrophobicContact CB-CG 4.34Å; L18-L979 HydrophobicContact CD1-CD2 4.16Å; L979-T982 VanDerWaalsContact CB-OG1 3.27Å; L979-T982 WeakPolarHBondContact CB-OG1 3.49Å; L979-L984 HydrophobicContact CB-CB 4.23Å; L979-L984 HydrophobicContact CD1-CB 4.26Å; L979-L984 HydrophobicContact CD2-CB 4.14Å; L979-L984 HydrophobicContact CD2-CD1 4.18Å; L979-L984 HydrophobicContact CG-CB 4.44Å; L979-L984 PolarHBondContact N-O 3.35Å; L979-F986 HydrophobicContact CD1-CB 3.77Å
980P88.8Confident89.6Confident30 Ų3025.4 Ų25.420%0.19514%0.139CC..THydrogen-bonded Turntrans-67.5147.3177.322-28.2000112.7Q15 T982Q15-P980 HydrophobicContact CB-CG 4.44Å; Q15-P980 HydrophobicContact CG-CG 3.78Å; Q15-P980 WeakPolarHBondContact CG-O 3.34Å; Q15-P980 PolarHBondContact NE2-O 3.17Å; Q15-P980 VanDerWaalsContact NE2-O 3.15Å; P980-T982 PolarHBondContact O-N 2.87Å
981N88.9Confident89.5Confident100 Ų10024 Ų2454%0.53513%0.129SC..THydrogen-bonded Turntrans6314.8-179.6-51.9-28.9000115.7I744 Y745I744-N981 WeakPolarHBondContact CB-O 3.45Å; Y745-N981 PolarHBondContact N-O 2.85Å
982T91.9Very high89.3Confident12 Ų1224.1 Ų24.17%0.07412%0.12CC..BIsolated β-bridgetrans-139167.2173.675.70000110.5V19 Y745 F747 L979 P980 L984V19-T982 HydrophobicContact CG2-CG2 4.02Å; Y745-T982 WeakPolarHBondContact O-CA 3.33Å; F747-T982 HydrophobicContact CE2-CG2 3.78Å; L979-T982 VanDerWaalsContact CB-OG1 3.27Å; L979-T982 WeakPolarHBondContact CB-OG1 3.49Å; P980-T982 PolarHBondContact O-N 2.87Å; T982-L984 PolarHBondContact O-N 2.85Å; T982-L984 WeakPolarHBondContact OG1-CB 3.34Å; T982-L984 PolarHBondContact OG1-N 3.36Å
983N93.1Very high88.9Confident5 Ų527.8 Ų27.83%0.02715%0.151CC..SBendtrans-88.120173.667.6-39.2000113I744 Y745 I746 F747 D825 D826 F954I744-N983 HydrophobicContact CD1-CB 4.2Å; Y745-N983 PolarHBondContact O-N 3.07Å; Y745-N983 PolarHBondContact O-OD1 2.76Å; I746-N983 HydrophobicContact CD1-CB 4.18Å; F747-N983 PolarHBondContact N-OD1 2.99Å; F747-N983 PolarHBondContact O-ND2 3.48Å; D825-N983 CarbonylContact C-O 3.5Å; D826-N983 HydrophobicContact CB-CB 4.22Å; D826-N983 PolarHBondContact N-O 3.08Å; D826-N983 VanDerWaalsContact N-O 3.12Å; D826-N983 PolarHBondContact OD1-ND2 3.45Å; F954-N983 WeakPolarHBondContact CE2-O 3.47Å
984L93.8Very high88.4Confident1 Ų125.7 Ų25.71%0.00515%0.145CC..  trans-98.9146.1-171.9-60-179.3000112.5L18 F747 W792 I823 L824 D825 L831 L979 T982L18-L984 HydrophobicContact CD1-CD1 4.48Å; F747-L984 HydrophobicContact CB-CD2 3.74Å; F747-L984 HydrophobicContact CB-CG 4.36Å; F747-L984 HydrophobicContact CD1-CD1 3.94Å; F747-L984 HydrophobicContact CD1-CD2 4.43Å; F747-L984 HydrophobicContact CD2-CD1 3.78Å; F747-L984 HydrophobicContact CD2-CD2 4.14Å; F747-L984 HydrophobicContact CD2-CG 3.8Å; F747-L984 HydrophobicContact CE1-CD1 3.97Å; F747-L984 HydrophobicContact CE2-CD1 3.82Å; F747-L984 HydrophobicContact CE2-CG 4.24Å; F747-L984 HydrophobicContact CG-CD1 3.87Å; F747-L984 HydrophobicContact CG-CD2 3.86Å; F747-L984 HydrophobicContact CG-CG 3.99Å; F747-L984 HydrophobicContact CZ-CD1 3.92Å; W792-L984 HydrophobicContact CZ2-CD1 4.5Å; I823-L984 HydrophobicContact CG2-CB 4.1Å; I823-L984 HydrophobicContact CG2-CD1 4.13Å; I823-L984 HydrophobicContact CG2-CD2 4.01Å; I823-L984 HydrophobicContact CG2-CG 4.32Å; L824-L984 WeakPolarHBondContact O-CA 3.04Å; D825-L984 HydrophobicContact CB-CD2 4.43Å; L831-L984 HydrophobicContact CD1-CD2 3.31Å; L979-L984 HydrophobicContact CB-CB 4.23Å; L979-L984 HydrophobicContact CD1-CB 4.26Å; L979-L984 HydrophobicContact CD2-CB 4.14Å; L979-L984 HydrophobicContact CD2-CD1 4.18Å; L979-L984 HydrophobicContact CG-CB 4.44Å; L979-L984 PolarHBondContact N-O 3.35Å; T982-L984 PolarHBondContact O-N 2.85Å; T982-L984 WeakPolarHBondContact OG1-CB 3.34Å; T982-L984 PolarHBondContact OG1-N 3.36Å
985V93.5Very high87.7Confident2 Ų225.6 Ų25.61%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-121.3131.3167.266.50000110.5I823 L824 L862 Y863 F954 A976 K978I823-V985 WeakPolarHBondContact CA-O 3.38Å; L824-V985 HydrophobicContact CB-CG1 3.8Å; L824-V985 PolarHBondContact N-O 2.78Å; L824-V985 PolarHBondContact O-N 2.91Å; L862-V985 HydrophobicContact CD1-CG2 4.46Å; L862-V985 HydrophobicContact CD2-CG2 4.34Å; Y863-V985 VanDerWaalsContact OH-CG1 3.27Å; Y863-V985 WeakPolarHBondContact OH-CG1 3.07Å; F954-V985 HydrophobicContact CE1-CG1 4.4Å; F954-V985 HydrophobicContact CZ-CB 4.06Å; F954-V985 HydrophobicContact CZ-CG1 4.06Å; A976-V985 HydrophobicContact CB-CG2 3.98Å; K978-V985 HydrophobicContact CG-CB 4.38Å; K978-V985 HydrophobicContact CG-CG2 4.13Å
986F92.6Very high86.8Confident0 Ų030.5 Ų30.50%017%0.174CC..EExtended strand (participates in β ladder)trans-92.5124.5172.8175.4-118.4000109.9I7 V11 M14 F796 C821 I823 A976 E977 L979 I988I7-F986 HydrophobicContact CG2-CD1 4.02Å; I7-F986 HydrophobicContact CG2-CE1 4.02Å; V11-F986 HydrophobicContact CG2-CB 3.81Å; V11-F986 HydrophobicContact CG2-CD1 3.53Å; V11-F986 HydrophobicContact CG2-CG 3.99Å; M14-F986 HydrophobicContact CE-CD1 4.29Å; M14-F986 HydrophobicContact CE-CD2 4.45Å; M14-F986 HydrophobicContact CE-CG 4.21Å; F796-F986 HydrophobicContact CE2-CD2 4.13Å; F796-F986 AromaticContact CE2-CE2 3.91Å; F796-F986 HydrophobicContact CE2-CE2 3.91Å; F796-F986 HydrophobicContact CZ-CD2 4.16Å; F796-F986 AromaticContact CZ-CE2 3.49Å; F796-F986 HydrophobicContact CZ-CE2 3.49Å; F796-F986 VanDerWaalsContact CZ-CE2 3.49Å; F796-F986 HydrophobicContact CZ-CZ 4.13Å; C821-F986 HydrophobicContact CB-CE2 4.05Å; C821-F986 HydrophobicContact CB-CZ 4.31Å; I823-F986 HydrophobicContact CG1-CD2 4.1Å; A976-F986 CarbonylContact C-O 3.59Å; A976-F986 VanDerWaalsContact CA-O 3.31Å; A976-F986 WeakPolarHBondContact CA-O 3.29Å; E977-F986 PolarHBondContact N-O 2.99Å; E977-F986 PolarHBondContact O-N 3.47Å; L979-F986 HydrophobicContact CD1-CB 3.77Å; F986-I988 HydrophobicContact CE1-CB 4.32Å; F986-I988 HydrophobicContact CZ-CB 4.24Å
987L91.4Very high85.6Confident1 Ų133.4 Ų33.41%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-120.1128.3-178-178.670.6000109.9C821 V822 L824 F846 L853 L857 Y974 R975 A976C821-L987 WeakPolarHBondContact CA-O 3.24Å; V822-L987 HydrophobicContact CG2-CB 3.74Å; V822-L987 HydrophobicContact CG2-CD2 3.73Å; V822-L987 HydrophobicContact CG2-CG 4.13Å; V822-L987 PolarHBondContact N-O 2.9Å; V822-L987 PolarHBondContact O-N 3.15Å; L824-L987 HydrophobicContact CD1-CD2 4.23Å; F846-L987 HydrophobicContact CE1-CD2 3.9Å; F846-L987 HydrophobicContact CZ-CD2 3.97Å; L853-L987 HydrophobicContact CD2-CD2 3.57Å; L853-L987 HydrophobicContact CD2-CG 4.32Å; L853-L987 HydrophobicContact CG-CD2 4.1Å; L857-L987 HydrophobicContact CD1-CD1 4.48Å; L857-L987 HydrophobicContact CD1-CD2 4.03Å; L857-L987 HydrophobicContact CD2-CD1 4.1Å; Y974-L987 HydrophobicContact CD2-CD1 4.07Å; R975-L987 WeakPolarHBondContact O-CA 3.44Å; A976-L987 HydrophobicContact CB-CD1 3.79Å
988I89.6Confident84.4Confident13 Ų1334.1 Ų34.17%0.06720%0.2CC..EExtended strand (participates in β ladder)trans-121.3128.8173.2-171.8170.6000109I7 V819 Y974 R975 F986I7-I988 HydrophobicContact CD1-CG2 3.62Å; I7-I988 HydrophobicContact CG1-CG2 4.33Å; V819-I988 HydrophobicContact CG1-CD1 3.87Å; V819-I988 HydrophobicContact CG1-CG1 3.5Å; V819-I988 VanDerWaalsContact CG1-CG1 3.5Å; Y974-I988 CarbonylContact C-O 3.46Å; Y974-I988 VanDerWaalsContact CA-O 3.31Å; Y974-I988 WeakPolarHBondContact CA-O 3.35Å; R975-I988 HydrophobicContact CB-CG2 3.87Å; R975-I988 PolarHBondContact N-O 2.71Å; R975-I988 PolarHBondContact O-N 3.36Å; F986-I988 HydrophobicContact CE1-CB 4.32Å; F986-I988 HydrophobicContact CZ-CB 4.24Å
989T88.4Confident82.9Confident7 Ų740.6 Ų40.64%0.04324%0.236CC..EExtended strand (participates in β ladder)trans-141.7155.6-177.6-179.20000111V819 D820 L853 R972 M973V819-T989 WeakPolarHBondContact CA-O 3.42Å; D820-T989 HydrophobicContact CB-CG2 3.85Å; D820-T989 PolarHBondContact N-O 3.21Å; D820-T989 PolarHBondContact O-N 3.02Å; L853-T989 HydrophobicContact CD2-CG2 3.84Å; R972-T989 PolarHBondContact NH2-OG1 2.8Å; M973-T989 WeakPolarHBondContact O-CA 3.38Å; M973-T989 PolarHBondContact O-OG1 3.12Å
990D86.1Confident81.7Confident46 Ų4642.3 Ų42.325%0.24625%0.248CC..EExtended strand (participates in β ladder)trans-59141164.9-62.2-34.9000109.9R972 M973R972-D990 HydrophobicContact CB-CB 4.26Å; R972-D990 HydrophobicContact CG-CB 4.24Å; R972-D990 PolarHBondContact NE-O 2.74Å; R972-D990 PolarHBondContact NH2-O 2.91Å; M973-D990 PolarHBondContact N-OD2 2.8Å; M973-D990 PolarHBondContact O-N 3.48Å; M973-D990 VanDerWaalsContact O-N 3.13Å
991A81.8Confident81.1Confident4 Ų451.8 Ų51.83%0.03328%0.28CS..  trans-59.9138.7-170.700000112.3K817 H818 D820 A993 T994K817-A991 WeakPolarHBondContact O-CB 3.32Å; H818-A991 PolarHBondContact O-N 3.47Å; D820-A991 VanDerWaalsContact OD2-CA 3.22Å; D820-A991 WeakPolarHBondContact OD2-CA 3.06Å; A991-A993 PolarHBondContact O-N 3.34Å; A991-A993 VanDerWaalsContact O-N 3.14Å; A991-T994 HydrophobicContact CB-CG2 4.23Å; A991-T994 WeakPolarHBondContact O-CB 3.31Å; A991-T994 WeakPolarHBondContact O-CG2 3.11Å; A991-T994 PolarHBondContact O-N 3.49Å; A991-T994 PolarHBondContact O-OG1 3.25Å
992K79.6Confident80.6Confident74 Ų7450.5 Ų50.532%0.32228%0.276SS..G310 helixtrans-54.6-36.5-178.9-172.8178.3-178.6-179.50112.8D820 V849 T994 C995D820-K992 PolarHBondContact OD2-N 2.64Å; V849-K992 PolarHBondContact O-NZ 2.95Å; K992-T994 PolarHBondContact O-N 2.89Å; K992-T994 VanDerWaalsContact O-N 3.1Å; K992-C995 CarbonylContact O-C 3.59Å; K992-C995 PolarHBondContact O-N 2.76Å
993A76Confident80.2Confident79 Ų7952.1 Ų52.165%0.65329%0.285SS*.G310 helixtrans-61-19178.400000114.3A991 C995A991-A993 PolarHBondContact O-N 3.34Å; A991-A993 VanDerWaalsContact O-N 3.14Å; A993-C995 VanDerWaalsContact C-N 3.32Å
994T76.2Confident79.7Confident74 Ų7458.8 Ų58.845%0.45431%0.309SS..G310 helixtrans-74.4-21.5179.164.40000113.3A991 K992A991-T994 HydrophobicContact CB-CG2 4.23Å; A991-T994 WeakPolarHBondContact O-CB 3.31Å; A991-T994 WeakPolarHBondContact O-CG2 3.11Å; A991-T994 PolarHBondContact O-N 3.49Å; A991-T994 PolarHBondContact O-OG1 3.25Å; K992-T994 PolarHBondContact O-N 2.89Å; K992-T994 VanDerWaalsContact O-N 3.1Å
995C74.9Confident79.1Confident6 Ų659.9 Ų59.94%0.04131%0.314CS..  trans-144.583.7-173.2-175.90000110.4C970 R972 K992 A993 C998C970-C995 HydrophobicContact CB-CB 3.67Å; C970-C995 WeakPolarHBondContact CB-SG 3.05Å; C970-C995 WeakPolarHBondContact SG-CA 3.34Å; C970-C995 WeakPolarHBondContact SG-CB 3.2Å; C970-C995 CovalentContact SG-SG 2.01Å; C970-C995 PolarHBondContact SG-SG 2.83Å; R972-C995 HydrophobicContact CG-CB 3.85Å; K992-C995 CarbonylContact O-C 3.59Å; K992-C995 PolarHBondContact O-N 2.76Å; A993-C995 VanDerWaalsContact C-N 3.32Å; C995-C998 PolarHBondContact SG-SG 3.17Å
996L70.2Confident78.4Confident144 Ų14462.1 Ų62.175%0.75433%0.333SS*.THydrogen-bonded Turntrans-87.2-2.1-179.4-67.1169000113.8C998L996-C998 VanDerWaalsContact C-N 3.27Å; L996-C998 PolarHBondContact O-N 3.15Å
997S65.6Low77.8Confident62 Ų6267 Ų6743%0.43436%0.356SS..THydrogen-bonded Turntrans-81.4-5-177.970.40000113.9C970 D999C970-S997 PolarHBondContact SG-OG 3.35Å; S997-D999 PolarHBondContact O-N 3.26Å
998C66.1Low77.4Confident23 Ų2371.2 Ų71.216%0.15538%0.376CS..  trans-83.8109.1174.2-36.90000108.5V852 C967 C995 L996 P1000V852-C998 HydrophobicContact CB-CB 4.46Å; V852-C998 HydrophobicContact CG1-CB 4.22Å; V852-C998 HydrophobicContact CG2-CB 3.43Å; V852-C998 VanDerWaalsContact CG2-CB 3.43Å; C967-C998 HydrophobicContact CB-CB 3.89Å; C967-C998 WeakPolarHBondContact CB-SG 3.17Å; C967-C998 WeakPolarHBondContact SG-CB 3.08Å; C967-C998 CovalentContact SG-SG 2.01Å; C967-C998 PolarHBondContact SG-SG 3.32Å; C995-C998 PolarHBondContact SG-SG 3.17Å; L996-C998 VanDerWaalsContact C-N 3.27Å; L996-C998 PolarHBondContact O-N 3.15Å; C998-P1000 VanDerWaalsContact C-CD 3.42Å; C998-P1000 WeakPolarHBondContact O-CD 3.49Å
999D60.1Low77.1Confident165 Ų16574.6 Ų74.688%0.88240%0.398SS*.  trans-122.372.8175.2-140.411000110.4S997S997-D999 PolarHBondContact O-N 3.26Å
1000P66.7Low76.8Confident41 Ų4176.1 Ų76.127%0.26641%0.409SS..PPolyproline II helixtrans-81.3156.4171.636.5-37.2000110.4P851 V852 I855 C998P851-P1000 HydrophobicContact CB-CG 3.87Å; P851-P1000 HydrophobicContact CG-CG 3.75Å; V852-P1000 HydrophobicContact CB-CG 4.27Å; V852-P1000 VanDerWaalsContact CG2-CD 3.5Å; V852-P1000 HydrophobicContact CG2-CG 3.41Å; V852-P1000 VanDerWaalsContact CG2-CG 3.41Å; I855-P1000 HydrophobicContact CD1-CB 4.18Å; C998-P1000 VanDerWaalsContact C-CD 3.42Å; C998-P1000 WeakPolarHBondContact O-CD 3.49Å
1001R76.8Confident76.4Confident229 Ų22982.9 Ų82.986%0.86444%0.439SS*.PPolyproline II helixtrans-59.6135.8169-67.1-179-179.8-177.8-0.7109.2L1003R1001-L1003 PolarHBondContact O-N 2.84Å
1002P78.6Confident76.3Confident72 Ų7283.4 Ų83.447%0.46845%0.445SS..PPolyproline II helixtrans-60.2135.6177.325.8-33.5000109.4
1003L83.4Confident76.5Confident47 Ų4781.4 Ų81.425%0.24644%0.44CS..  trans-93.4108.6178.5-139.6162.1000106.6F845 G847 I855 Y952 R1001F845-L1003 WeakPolarHBondContact CD1-O 3.4Å; F845-L1003 HydrophobicContact CE1-CD2 4.41Å; F845-L1003 VanDerWaalsContact CE1-O 3.24Å; F845-L1003 WeakPolarHBondContact CE1-O 3.08Å; G847-L1003 CarbonylContact C-O 3.07Å; G847-L1003 WeakPolarHBondContact CA-O 3.35Å; G847-L1003 PolarHBondContact O-N 2.89Å; I855-L1003 HydrophobicContact CD1-CD1 4.3Å; I855-L1003 HydrophobicContact CG1-CD1 3.52Å; Y952-L1003 WeakPolarHBondContact OH-CD2 3.11Å; R1001-L1003 PolarHBondContact O-N 2.84Å
1004R81.3Confident76.9Confident145 Ų14581.1 Ų81.155%0.54743%0.427SS..  trans-99.3131.8-175.3-59-166.3174.4171.6-3.6110.1E848E848-R1004 HydrophobicContact CG-CG 4.19Å; E848-R1004 WeakPolarHBondContact OE1-CB 3.37Å; E848-R1004 VanDerWaalsContact OE1-CG 3.23Å; E848-R1004 WeakPolarHBondContact OE1-CG 3.43Å
1005Q82.1Confident77.4Confident23 Ų2378.9 Ų78.911%0.10741%0.414CS..  trans-10285.3167.8-164.2-167.2-13.400107.9R572 G827 F829 F845 T950 Y952R572-Q1005 PolarHBondContact O-NE2 3Å; G827-Q1005 PolarHBondContact O-OE1 3.45Å; F829-Q1005 VanDerWaalsContact CZ-OE1 3.25Å; F845-Q1005 HydrophobicContact CB-CB 4.01Å; F845-Q1005 HydrophobicContact CD1-CB 3.67Å; F845-Q1005 HydrophobicContact CD2-CB 3.69Å; F845-Q1005 HydrophobicContact CD2-CG 4.41Å; F845-Q1005 HydrophobicContact CE1-CB 3.99Å; F845-Q1005 HydrophobicContact CE2-CB 4.02Å; F845-Q1005 VanDerWaalsContact CE2-OE1 3.28Å; F845-Q1005 HydrophobicContact CG-CB 3.5Å; F845-Q1005 VanDerWaalsContact CG-CB 3.5Å; F845-Q1005 HydrophobicContact CZ-CB 4.17Å; T950-Q1005 WeakPolarHBondContact O-CG 3.32Å; T950-Q1005 PolarHBondContact O-NE2 2.65Å; Y952-Q1005 HydrophobicContact CD2-CG 4.16Å; Y952-Q1005 HydrophobicContact CE2-CB 4.45Å; Y952-Q1005 HydrophobicContact CE2-CG 4.28Å
1006A78.7Confident78Confident49 Ų4979.9 Ų79.941%0.40542%0.421SS..SBendtrans-149.8161.2179.100000109.2Q1008A1006-Q1008 PolarHBondContact O-N 2.82Å
1007E79.5Confident78.8Confident103 Ų10378.9 Ų78.948%0.48141%0.412SS..  trans-61118.6166.3-67.5-179.6-133.900109.6T947 Q949T947-E1007 HydrophobicContact CG2-CB 4.1Å; T947-E1007 PolarHBondContact OG1-OE2 3.36Å; Q949-E1007 HydrophobicContact CG-CG 4.02Å
1008Q83.1Confident79.8Confident90 Ų9079.4 Ų79.442%0.42141%0.41SS..EExtended strand (participates in β ladder)trans-116.3131.9177.6-67.6-174.511.500110.1T947 E948 A1006 S1010T947-Q1008 CarbonylContact C-O 3.54Å; T947-Q1008 VanDerWaalsContact CA-O 3.23Å; T947-Q1008 WeakPolarHBondContact CA-O 3.37Å; E948-Q1008 PolarHBondContact N-O 2.95Å; E948-Q1008 PolarHBondContact O-N 3.17Å; A1006-Q1008 PolarHBondContact O-N 2.82Å; Q1008-S1010 PolarHBondContact O-N 2.75Å
1009P83.3Confident80.6Confident84 Ų8478.9 Ų78.955%0.54541%0.407SS..EExtended strand (participates in β ladder)trans-58130.7173.524.7-32.1000109.5
1010S83.1Confident81.9Confident38 Ų3878.4 Ų78.427%0.26640%0.4SS..EExtended strand (participates in β ladder)trans-140.4151.2-178.9-175.10000109.3I946 Q1008 G1012I946-S1010 PolarHBondContact O-N 3.35Å; Q1008-S1010 PolarHBondContact O-N 2.75Å; S1010-G1012 PolarHBondContact O-N 2.87Å; S1010-G1012 PolarHBondContact OG-N 3.22Å
1011E77.1Confident82.8Confident188 Ų18880.9 Ų80.988%0.87942%0.418SS*.  trans-73.2-3.6172.6-65-172.1164.700112.2
1012G78.9Confident83.3Confident16 Ų1673.2 Ų73.217%0.16540%0.398CS..  trans80.9-172.7-179.100000112.9S1010S1010-G1012 PolarHBondContact O-N 2.87Å; S1010-G1012 PolarHBondContact OG-N 3.22Å
1013P84Confident83.9Confident32 Ų3273.6 Ų73.621%0.20839%0.39CS..SBendtrans-66142.2172.928.5-33.8000110.2Y869 P1015 L1018Y869-P1013 HydrophobicContact CD2-CG 4.42Å; Y869-P1013 HydrophobicContact CE2-CB 4.36Å; Y869-P1013 HydrophobicContact CE2-CG 4.28Å; P1013-P1015 WeakPolarHBondContact O-CD 3.49Å; P1013-P1015 VanDerWaalsContact O-N 3.1Å; P1013-L1018 HydrophobicContact CB-CD1 4.09Å; P1013-L1018 HydrophobicContact CG-CD1 3.87Å
1014N86.1Confident84.3Confident72 Ų7275.8 Ų75.839%0.38540%0.399SS..  trans-59.4113.4-176.8-174.7-6.6000111.1C1016 E1017 L1018N1014-C1016 PolarHBondContact O-N 3.33Å; N1014-C1016 VanDerWaalsContact O-N 3.14Å; N1014-C1016 VanDerWaalsContact OD1-CB 3.3Å; N1014-C1016 WeakPolarHBondContact OD1-CB 3.5Å; N1014-C1016 PolarHBondContact OD1-N 2.87Å; N1014-C1016 VanDerWaalsContact OD1-N 3.13Å; N1014-C1016 PolarHBondContact OD1-SG 3.02Å; N1014-C1016 VanDerWaalsContact OD1-SG 3.33Å; N1014-E1017 HydrophobicContact CB-CB 4.45Å; N1014-E1017 HydrophobicContact CB-CG 4.22Å; N1014-E1017 PolarHBondContact ND2-OE1 2.96Å; N1014-E1017 PolarHBondContact O-N 2.69Å; N1014-E1017 VanDerWaalsContact O-N 3.1Å; N1014-L1018 PolarHBondContact O-N 3.06Å
1015P85.9Confident84.6Confident27 Ų2770.2 Ų70.218%0.17538%0.378CS..Hα-helixtrans-61.1-27.3-177.6-23.333.9000113.1L289 P1013 E1017 L1018 A1019L289-P1015 HydrophobicContact CD2-CB 4.31Å; P1013-P1015 WeakPolarHBondContact O-CD 3.49Å; P1013-P1015 VanDerWaalsContact O-N 3.1Å; P1015-E1017 VanDerWaalsContact C-N 3.32Å; P1015-E1017 PolarHBondContact O-N 3.15Å; P1015-L1018 PolarHBondContact O-N 2.96Å; P1015-A1019 WeakPolarHBondContact O-CB 3.45Å; P1015-A1019 PolarHBondContact O-N 3.39Å
1016C86.9Confident84.9Confident27 Ų2773 Ų7318%0.18239%0.39CS..Hα-helixtrans-65.4-35.9178.9-52.30000112.3C275 N1014C275-C1016 HydrophobicContact CB-CB 3.75Å; C275-C1016 WeakPolarHBondContact CB-SG 3.3Å; C275-C1016 WeakPolarHBondContact SG-CB 3.43Å; C275-C1016 CovalentContact SG-SG 2.02Å; C275-C1016 PolarHBondContact SG-SG 3.3Å; N1014-C1016 PolarHBondContact O-N 3.33Å; N1014-C1016 VanDerWaalsContact O-N 3.14Å; N1014-C1016 VanDerWaalsContact OD1-CB 3.3Å; N1014-C1016 WeakPolarHBondContact OD1-CB 3.5Å; N1014-C1016 PolarHBondContact OD1-N 2.87Å; N1014-C1016 VanDerWaalsContact OD1-N 3.13Å; N1014-C1016 PolarHBondContact OD1-SG 3.02Å; N1014-C1016 VanDerWaalsContact OD1-SG 3.33Å
1017E88.1Confident85.2Confident124 Ų12472.1 Ų72.158%0.57939%0.385SS*.Hα-helixtrans-75.7-43.2177.8-68.2171.7-156.400110.2N1014 P1015 A1019 Q1020N1014-E1017 HydrophobicContact CB-CB 4.45Å; N1014-E1017 HydrophobicContact CB-CG 4.22Å; N1014-E1017 PolarHBondContact ND2-OE1 2.96Å; N1014-E1017 PolarHBondContact O-N 2.69Å; N1014-E1017 VanDerWaalsContact O-N 3.1Å; P1015-E1017 VanDerWaalsContact C-N 3.32Å; P1015-E1017 PolarHBondContact O-N 3.15Å; E1017-A1019 VanDerWaalsContact C-N 3.26Å; E1017-A1019 PolarHBondContact O-N 3.33Å; E1017-Q1020 WeakPolarHBondContact O-CB 3.48Å; E1017-Q1020 PolarHBondContact O-N 3.18Å; E1017-Q1020 VanDerWaalsContact O-N 3.13Å
1018L85.7Confident85.5Confident72 Ų7270.3 Ų70.338%0.37738%0.382SS..Hα-helixtrans-60.9-33.8175.6-67.1175.9000112.9P1013 N1014 P1015 Q1020 S1021 P1022P1013-L1018 HydrophobicContact CB-CD1 4.09Å; P1013-L1018 HydrophobicContact CG-CD1 3.87Å; N1014-L1018 PolarHBondContact O-N 3.06Å; P1015-L1018 PolarHBondContact O-N 2.96Å; L1018-Q1020 VanDerWaalsContact C-N 3.27Å; L1018-Q1020 PolarHBondContact O-N 3.47Å; L1018-S1021 CarbonylContact O-C 3.6Å; L1018-S1021 PolarHBondContact O-N 3.21Å; L1018-P1022 WeakPolarHBondContact O-CA 3.47Å
1019A84.1Confident85.4Confident12 Ų1272.2 Ų72.210%0.09940%0.395CS..THydrogen-bonded Turntrans-71.6-18.1178.600000114.1F276 H278 V280 P1015 E1017F276-A1019 HydrophobicContact CD1-CB 3.8Å; F276-A1019 HydrophobicContact CE1-CB 3.5Å; H278-A1019 PolarHBondContact CE1-O 2.9Å; H278-A1019 PolarHBondContact NE2-O 3.44Å; V280-A1019 HydrophobicContact CG1-CB 3.93Å; P1015-A1019 WeakPolarHBondContact O-CB 3.45Å; P1015-A1019 PolarHBondContact O-N 3.39Å; E1017-A1019 VanDerWaalsContact C-N 3.26Å; E1017-A1019 PolarHBondContact O-N 3.33Å
1020Q85.9Confident85.4Confident156 Ų15671.8 Ų71.873%0.72939%0.387SS*.THydrogen-bonded Turntrans-76.5-38.2175.5-66.5177.711.100111.6E1017 L1018E1017-Q1020 WeakPolarHBondContact O-CB 3.48Å; E1017-Q1020 PolarHBondContact O-N 3.18Å; E1017-Q1020 VanDerWaalsContact O-N 3.13Å; L1018-Q1020 VanDerWaalsContact C-N 3.27Å; L1018-Q1020 PolarHBondContact O-N 3.47Å
1021S86.2Confident85.7Confident93 Ų9372.4 Ų72.465%0.6539%0.391SS*.SBendtrans-123.974.4174.758.80000110.1L1018L1018-S1021 CarbonylContact O-C 3.6Å; L1018-S1021 PolarHBondContact O-N 3.21Å
1022P88.3Confident86.3Confident68 Ų6865 Ų6544%0.44236%0.356SS..PPolyproline II helixtrans-66.8150.2-17929.1-35000111L1018L1018-P1022 WeakPolarHBondContact O-CA 3.47Å
1023R91.1Very high86.5Confident79 Ų7967.2 Ų67.230%0.29836%0.363SS..PPolyproline II helixtrans-61.2149.6173.8-72.6161.6166.8177.25.2110.8D534 L536 D537 E541D534-R1023 VanDerWaalsContact CG-NH1 3.31Å; D534-R1023 WeakPolarHBondContact OD2-CD 3.47Å; D534-R1023 IonicContact OD2-CZ 3.65Å; D534-R1023 IonicContact OD2-NE 2.71Å; D534-R1023 IonicContact OD2-NH1 3.19Å; D534-R1023 PolarHBondContact OD2-NH1 3Å; L536-R1023 HydrophobicContact CD1-CG 4.47Å; D537-R1023 VanDerWaalsContact CG-NH1 3.35Å; D537-R1023 IonicContact OD1-CZ 3.76Å; D537-R1023 VanDerWaalsContact OD1-CZ 3.28Å; D537-R1023 IonicContact OD1-NH1 3.6Å; D537-R1023 PolarHBondContact OD1-NH1 2.98Å; D537-R1023 IonicContact OD1-NH2 3.85Å; D537-R1023 PolarHBondContact OD1-NH2 3.41Å; D537-R1023 IonicContact OD2-NH1 3.7Å; D537-R1023 PolarHBondContact OD2-NH1 3.4Å; E541-R1023 IonicContact OE2-NH2 3.67Å
1024H91.3Very high86.4Confident93 Ų9369.3 Ų69.343%0.43137%0.373SS..PPolyproline II helixtrans-66.8141.6178.4-176.381.2000111.2E554E554-H1024 IonicContact OE1-NE2 3.96Å
1025R87.8Confident86.3Confident29 Ų2968 Ų6811%0.10937%0.366CS..  trans-154.8161.9177.960.7168.4-161.710818.2110.3Y260 S322 R323Y260-R1025 PolarHBondContact OH-NE 2.97Å; Y260-R1025 PolarHBondContact OH-NH2 2.97Å; S322-R1025 PolarHBondContact OG-NE 3.38Å; S322-R1025 PolarHBondContact OG-NH2 2.91Å; R323-R1025 PolarHBondContact O-NH2 2.83Å
1026K88.4Confident86Confident82 Ų8275.8 Ų75.836%0.35740%0.4SS..  trans-116.2123.1172.8-172.1-178.6174.7-163.60109.5P490 I553 D1029P490-K1026 HydrophobicContact CB-CB 4.32Å; P490-K1026 PolarHBondContact O-N 3.29Å; I553-K1026 HydrophobicContact CG2-CB 3.7Å; K1026-D1029 VanDerWaalsContact CE-OD1 3.28Å; K1026-D1029 WeakPolarHBondContact CE-OD1 3.49Å; K1026-D1029 IonicContact NZ-OD1 3.84Å; K1026-D1029 IonicContact NZ-OD2 2.94Å
1027G84.1Confident85.8Confident30 Ų3080.6 Ų80.631%0.30942%0.424SS..  trans-78.4169.9174.500000112.1
1028P85.4Confident85.6Confident64 Ų6475.2 Ų75.242%0.41640%0.399SS..  trans-58.6137.1177-26.937.6000112.6P223 M1030P223-P1028 HydrophobicContact CG-CB 4.48Å; P223-P1028 HydrophobicContact CG-CG 3.83Å; P1028-M1030 VanDerWaalsContact C-N 3.29Å; P1028-M1030 PolarHBondContact O-N 2.99Å
1029D80.9Confident85.3Confident131 Ų13175 Ų7570%0.70140%0.398SS*.SBendtrans-69.3-26.4-176.1-74.4-21000112.7K1026K1026-D1029 VanDerWaalsContact CE-OD1 3.28Å; K1026-D1029 WeakPolarHBondContact CE-OD1 3.49Å; K1026-D1029 IonicContact NZ-OD1 3.84Å; K1026-D1029 IonicContact NZ-OD2 2.94Å
1030M84.5Confident84.9Confident75 Ų7577.6 Ų77.637%0.36941%0.41SS..  trans-113.4139.6-179.3-59.4-161.6-38.800112.6Q415 P1028 F1032Q415-M1030 HydrophobicContact CG-CE 4.1Å; Q415-M1030 PolarHBondContact NE2-SD 3.38Å; P1028-M1030 VanDerWaalsContact C-N 3.29Å; P1028-M1030 PolarHBondContact O-N 2.99Å; M1030-F1032 HydrophobicContact CE-CE2 3.85Å; M1030-F1032 HydrophobicContact CE-CZ 3.61Å; M1030-F1032 HydrophobicContact SD-CZ 4.5Å
1031C89.4Confident84.3Confident51 Ų5174.4 Ų74.435%0.34541%0.405SS..  trans-131.5138.9176.2169.30000110.1C326C326-C1031 WeakPolarHBondContact CA-SG 3.27Å; C326-C1031 HydrophobicContact CB-CB 3.7Å; C326-C1031 WeakPolarHBondContact CB-SG 3.49Å; C326-C1031 WeakPolarHBondContact SG-CB 3.49Å; C326-C1031 CovalentContact SG-SG 2.01Å; C326-C1031 PolarHBondContact SG-SG 2.91Å
1032F89.6Confident83.8Confident33 Ų3373.7 Ų73.715%0.14539%0.394CS..  trans-123.2106.2174.4-56.5-74.6000109.3S222 M406 A409 Q412 A413 M1030S222-F1032 PolarHBondContact OG-O 3.43Å; M406-F1032 HydrophobicContact CB-CB 4.08Å; M406-F1032 HydrophobicContact CB-CG 4.47Å; M406-F1032 HydrophobicContact CG-CD2 4.12Å; M406-F1032 HydrophobicContact CG-CG 4.44Å; A409-F1032 HydrophobicContact CB-CD1 3.69Å; A409-F1032 HydrophobicContact CB-CE1 3.62Å; Q412-F1032 HydrophobicContact CB-CE1 4.31Å; Q412-F1032 HydrophobicContact CB-CZ 4.38Å; A413-F1032 HydrophobicContact CB-CD2 4.41Å; A413-F1032 HydrophobicContact CB-CE1 4.46Å; A413-F1032 HydrophobicContact CB-CE2 4.03Å; A413-F1032 HydrophobicContact CB-CZ 4.06Å; M1030-F1032 HydrophobicContact CE-CE2 3.85Å; M1030-F1032 HydrophobicContact CE-CZ 3.61Å; M1030-F1032 HydrophobicContact SD-CZ 4.5Å
1033D82Confident83Confident61 Ų6171.5 Ų71.533%0.32638%0.38SS..  trans-136.3-39.5-170.468-29.6000115.2N327 R355 P405N327-D1033 VanDerWaalsContact OD1-CA 3.22Å; N327-D1033 WeakPolarHBondContact OD1-CA 3.28Å; N327-D1033 WeakPolarHBondContact OD1-CB 3.43Å; R355-D1033 PolarHBondContact NH2-O 3.16Å; P405-D1033 WeakPolarHBondContact CG-O 3.35Å
1034N82.4Confident81.5Confident77 Ų7768.6 Ų68.641%0.41238%0.375SS..  trans-136.7121.8-175.4-166.712.1000111
1035N83.6Confident79.4Confident45 Ų4567.7 Ų67.724%0.24139%0.39CS..  trans-125.9136.9174.5-163.7-49.7000109P405 L408 N1037 E1038P405-N1035 HydrophobicContact CB-CB 4.43Å; L408-N1035 HydrophobicContact CD1-CB 3.85Å; N1035-N1037 PolarHBondContact O-N 3.31Å; N1035-N1037 PolarHBondContact OD1-N 2.92Å; N1035-N1037 VanDerWaalsContact OD1-N 3.11Å; N1035-E1038 VanDerWaalsContact O-CB 3.31Å; N1035-E1038 WeakPolarHBondContact O-CB 3.45Å; N1035-E1038 PolarHBondContact O-N 2.99Å
1036E81.2Confident77Confident190 Ų19068.6 Ų68.689%0.88841%0.409SS*.THydrogen-bonded Turntrans-63.6-26-179.7-64.6-175.7172.200112.6
1037N81.3Confident74.3Confident127 Ų12772.3 Ų72.368%0.67943%0.433SS*.THydrogen-bonded Turntrans-94.19-179.3-59.6-45.9000113.7Q455 N1035Q455-N1037 PolarHBondContact NE2-O 3.4Å; N1035-N1037 PolarHBondContact O-N 3.31Å; N1035-N1037 PolarHBondContact OD1-N 2.92Å; N1035-N1037 VanDerWaalsContact OD1-N 3.11Å
1038E84.2Confident71.7Confident12 Ų1278.8 Ų78.86%0.05646%0.455CS..  trans-65.1136.8176-177.5179.1-165.600111.3R355 R404 L408 N1035 D1040R355-E1038 IonicContact CZ-OE1 3.83Å; R355-E1038 IonicContact CZ-OE2 2.75Å; R355-E1038 IonicContact NH1-OE1 3.19Å; R355-E1038 PolarHBondContact NH1-OE1 2.92Å; R355-E1038 IonicContact NH1-OE2 3.5Å; R355-E1038 IonicContact NH2-OE1 3.77Å; R355-E1038 PolarHBondContact NH2-OE1 3.43Å; R355-E1038 IonicContact NH2-OE2 3.08Å; R355-E1038 PolarHBondContact NH2-OE2 3.27Å; R404-E1038 HydrophobicContact CB-CG 4.24Å; L408-E1038 HydrophobicContact CD1-CB 4.31Å; N1035-E1038 VanDerWaalsContact O-CB 3.31Å; N1035-E1038 WeakPolarHBondContact O-CB 3.45Å; N1035-E1038 PolarHBondContact O-N 2.99Å; E1038-D1040 PolarHBondContact O-N 3.04Å
1039D80.1Confident69.2Low68 Ų6883.2 Ų83.236%0.36447%0.474SS..  trans-76.6112172-174.35.1000109.9R404 S1041R404-D1039 PolarHBondContact NH1-O 3.1Å; D1039-S1041 VanDerWaalsContact OD1-CB 3.28Å; D1039-S1041 WeakPolarHBondContact OD1-CB 3.37Å; D1039-S1041 PolarHBondContact OD1-N 3.49Å; D1039-S1041 PolarHBondContact OD1-OG 2.8Å
1040D75.4Confident67.1Low66 Ų6681.8 Ų81.835%0.35347%0.474SS..  trans-102.57.1176.169.5-11.7000113.5K352 K379 E1038K352-D1040 IonicContact NZ-OD2 2.63Å; K379-D1040 HydrophobicContact CB-CB 4.33Å; K379-D1040 HydrophobicContact CD-CB 4.24Å; K379-D1040 HydrophobicContact CG-CB 3.78Å; E1038-D1040 PolarHBondContact O-N 3.04Å
1041S73.3Confident64.9Low88 Ų8882 Ų8262%0.61548%0.482SS*.  trans-83.7-26.2-175.571.60000114D1039 C1043D1039-S1041 VanDerWaalsContact OD1-CB 3.28Å; D1039-S1041 WeakPolarHBondContact OD1-CB 3.37Å; D1039-S1041 PolarHBondContact OD1-N 3.49Å; D1039-S1041 PolarHBondContact OD1-OG 2.8Å; S1041-C1043 PolarHBondContact O-N 2.97Å
1042D75.6Confident62.9Low78 Ų7882.4 Ų82.442%0.41749%0.485SS..  trans-85102.6178.5-174.622.6000111.8R404R404-D1042 IonicContact NH2-OD2 2.81Å
1043C71.8Confident61.2Low22 Ų2287.4 Ų87.415%0.14951%0.512CS..  trans-136.965.2-177.664.20000112.4C376 S1041C376-C1043 HydrophobicContact CB-CB 3.76Å; C376-C1043 WeakPolarHBondContact CB-SG 3.32Å; C376-C1043 WeakPolarHBondContact SG-CB 3.34Å; C376-C1043 CovalentContact SG-SG 2.03Å; C376-C1043 PolarHBondContact SG-SG 3.42Å; S1041-C1043 PolarHBondContact O-N 2.97Å
1044G58.9Low60.1Low18 Ų1894.9 Ų94.919%0.18654%0.536CS..  trans110.9124.8165.800000114.7Y381 G1046Y381-G1044 VanDerWaalsContact CE2-N 3.25Å; G1044-G1046 PolarHBondContact O-N 3.25Å
1045G47.4Very low58.7Low74 Ų7494.2 Ų94.276%0.76354%0.537SS*.  trans-77.659.6173.700000113.5Y381 N1047Y381-G1045 PolarHBondContact OH-N 3.31Å; G1045-N1047 PolarHBondContact O-N 2.92Å
1046G36.7Very low57.5Low49 Ų4997.2 Ų97.251%0.50555%0.551SS.*  trans-78.6106.516400000108.6G1044 H1048G1044-G1046 PolarHBondContact O-N 3.25Å; G1046-H1048 PolarHBondContact O-N 3.14Å
1047N32.1Very low56.9Low160 Ų16092.2 Ų92.286%0.85653%0.53SS*.  trans-60.388.1163.2-91.9-19.6000108G1045 L1049G1045-N1047 PolarHBondContact O-N 2.92Å; N1047-L1049 PolarHBondContact O-N 2.99Å
1048H30.8Very low56.5Low166 Ų16687.8 Ų87.877%0.76952%0.515SS*.  trans-66.185.8156.1-87.2-72.6000105.8G1046 S1050G1046-H1048 PolarHBondContact O-N 3.14Å; H1048-S1050 PolarHBondContact O-N 2.96Å
1049L32.8Very low55.6Low156 Ų15692 Ų9282%0.81754%0.537SS*.  trans-58.588.2151.9-85.2158.1000105.4N1047 P1051N1047-L1049 PolarHBondContact O-N 2.99Å; L1049-P1051 WeakPolarHBondContact O-CD 3.32Å; L1049-P1051 VanDerWaalsContact O-N 3.09Å
1050S35.6Very low54.8Low101 Ų10195.3 Ų95.371%0.70655%0.55SS**  trans-62.7107.8162.955.80000105.1H1048 S1052H1048-S1050 PolarHBondContact O-N 2.96Å; S1050-S1052 PolarHBondContact O-N 3.45Å; S1050-S1052 VanDerWaalsContact O-N 3.15Å
1051P39.6Very low54.4Low81 Ų8197.1 Ų97.153%0.52656%0.559SS.*  trans-62.2126.7178.326.5-31.2000106.5L1049 L1053 M1056L1049-P1051 WeakPolarHBondContact O-CD 3.32Å; L1049-P1051 VanDerWaalsContact O-N 3.09Å; P1051-L1053 PolarHBondContact O-N 2.99Å; P1051-M1056 HydrophobicContact CB-CE 4.23Å; P1051-M1056 HydrophobicContact CB-CG 4.22Å; P1051-M1056 HydrophobicContact CG-CE 3.96Å; P1051-M1056 HydrophobicContact CG-CG 4.48Å
1052S46.8Very low54.1Low59 Ų5998.4 Ų98.441%0.41356%0.559SS.*  trans-57.5132.2174.7101.20000107.7S1050 W1054 S1055 M1056S1050-S1052 PolarHBondContact O-N 3.45Å; S1050-S1052 VanDerWaalsContact O-N 3.15Å; S1052-W1054 PolarHBondContact O-N 3.43Å; S1052-S1055 WeakPolarHBondContact CB-OG 3.34Å; S1052-S1055 WeakPolarHBondContact O-CB 3.21Å; S1052-S1055 PolarHBondContact O-N 2.89Å; S1052-S1055 PolarHBondContact O-OG 2.95Å; S1052-S1055 PolarHBondContact OG-N 3.37Å; S1052-S1055 VanDerWaalsContact OG-N 3.15Å; S1052-S1055 PolarHBondContact OG-OG 2.84Å; S1052-M1056 PolarHBondContact O-N 3.42Å
1053L53.4Low53.4Low138 Ų138101.5 Ų101.572%0.72357%0.569SS**Hα-helixtrans-52.3-29.8178.7-116.9140.4000111.6P1051 L1057P1051-L1053 PolarHBondContact O-N 2.99Å; L1053-L1057 HydrophobicContact CD2-CD1 4.37Å; L1053-L1057 WeakPolarHBondContact O-CB 3.44Å; L1053-L1057 PolarHBondContact O-N 3.42Å
1054W59.8Low52.9Low218 Ų218108.9 Ų108.983%0.82659%0.593SS**Hα-helixtrans-68.8-36175.5-71.394.1000113.8S1052 G1058S1052-W1054 PolarHBondContact O-N 3.43Å; W1054-G1058 PolarHBondContact O-N 2.98Å
1055S53.4Low52.9Low62 Ų62112.8 Ų112.843%0.43461%0.609SS.*Hα-helixtrans-67.9-42.3176.6-31.50000111S1052 G1058 L1059S1052-S1055 WeakPolarHBondContact CB-OG 3.34Å; S1052-S1055 WeakPolarHBondContact O-CB 3.21Å; S1052-S1055 PolarHBondContact O-N 2.89Å; S1052-S1055 PolarHBondContact O-OG 2.95Å; S1052-S1055 PolarHBondContact OG-N 3.37Å; S1052-S1055 VanDerWaalsContact OG-N 3.15Å; S1052-S1055 PolarHBondContact OG-OG 2.84Å; S1055-G1058 PolarHBondContact O-N 3.35Å; S1055-L1059 WeakPolarHBondContact O-CB 3.46Å; S1055-L1059 PolarHBondContact O-N 3.15Å
1056M58.4Low53.3Low108 Ų108112 Ų11253%0.53259%0.59SS.*Hα-helixtrans-65.5-44.7177.3-80.3-73.1-161.500111.8P1051 S1052 G1058 L1059 Q1060P1051-M1056 HydrophobicContact CB-CE 4.23Å; P1051-M1056 HydrophobicContact CB-CG 4.22Å; P1051-M1056 HydrophobicContact CG-CE 3.96Å; P1051-M1056 HydrophobicContact CG-CG 4.48Å; S1052-M1056 PolarHBondContact O-N 3.42Å; M1056-G1058 VanDerWaalsContact C-N 3.35Å; M1056-L1059 PolarHBondContact O-N 2.97Å; M1056-Q1060 PolarHBondContact O-N 3.19Å
1057L67.3Low54.2Low86 Ų86117 Ų11745%0.4560%0.598SS.*Hα-helixtrans-62.7-40.9174.2-92154.4000111.9L1053 Q1060 L1061L1053-L1057 HydrophobicContact CD2-CD1 4.37Å; L1053-L1057 WeakPolarHBondContact O-CB 3.44Å; L1053-L1057 PolarHBondContact O-N 3.42Å; L1057-Q1060 PolarHBondContact O-N 3.48Å; L1057-L1061 WeakPolarHBondContact O-CB 3.44Å; L1057-L1061 PolarHBondContact O-N 3.31Å
1058G72.5Confident55.2Low34 Ų34115.6 Ų115.635%0.35158%0.584SS.*Hα-helixtrans-62.1-44.8176.100000112.7W1054 S1055 M1056 L1061 L1062W1054-G1058 PolarHBondContact O-N 2.98Å; S1055-G1058 PolarHBondContact O-N 3.35Å; M1056-G1058 VanDerWaalsContact C-N 3.35Å; G1058-L1061 PolarHBondContact O-N 3.44Å; G1058-L1062 WeakPolarHBondContact O-CB 3.09Å; G1058-L1062 PolarHBondContact O-N 3.05Å
1059L66.3Low56.1Low99 Ų99113.6 Ų113.652%0.51858%0.579SS.*Hα-helixtrans-65.5-40.1176.1-93.1149.4000112.4S1055 M1056 L1062 F1063S1055-L1059 WeakPolarHBondContact O-CB 3.46Å; S1055-L1059 PolarHBondContact O-N 3.15Å; M1056-L1059 PolarHBondContact O-N 2.97Å; L1059-L1062 PolarHBondContact O-N 3.09Å; L1059-F1063 HydrophobicContact CD2-CE2 4.37Å; L1059-F1063 WeakPolarHBondContact O-CD2 3.44Å; L1059-F1063 PolarHBondContact O-N 3.49Å
1060Q63.8Low56.8Low139 Ų139113.2 Ų113.265%0.6558%0.577SS**Hα-helixtrans-65-39.2174.9-87.5177.8-30.600112.6M1056 L1057 F1063 W1064M1056-Q1060 PolarHBondContact O-N 3.19Å; L1057-Q1060 PolarHBondContact O-N 3.48Å; Q1060-F1063 PolarHBondContact O-N 3.24Å; Q1060-W1064 WeakPolarHBondContact O-CB 3.48Å; Q1060-W1064 PolarHBondContact O-N 3.11Å
1061L66.8Low57.3Low104 Ų104117 Ų11755%0.54558%0.583SS.*Hα-helixtrans-64-40.5173.3-102.6146.1000111.8L1057 G1058 W1064 L1065L1057-L1061 WeakPolarHBondContact O-CB 3.44Å; L1057-L1061 PolarHBondContact O-N 3.31Å; G1058-L1061 PolarHBondContact O-N 3.44Å; L1061-W1064 PolarHBondContact O-N 2.93Å; L1061-L1065 WeakPolarHBondContact O-CB 3.37Å; L1061-L1065 PolarHBondContact O-N 3.39Å
1062L67.1Low57.3Low114 Ų114120 Ų12060%0.59761%0.606SS**Hα-helixtrans-66.7-38.8177.1-137.3116000112.1G1058 L1059 W1064 L1065 T1066G1058-L1062 WeakPolarHBondContact O-CB 3.09Å; G1058-L1062 PolarHBondContact O-N 3.05Å; L1059-L1062 PolarHBondContact O-N 3.09Å; L1062-W1064 VanDerWaalsContact C-N 3.32Å; L1062-L1065 PolarHBondContact O-N 3.47Å; L1062-T1066 WeakPolarHBondContact O-CG2 3.06Å; L1062-T1066 PolarHBondContact O-N 2.95Å; L1062-T1066 PolarHBondContact O-OG1 3.14Å
1063F59.6Low57.8Low144 Ų144123.1 Ų123.163%0.63262%0.616SS**Hα-helixtrans-67.8-31.3173.3-94.8-74000113L1059 Q1060 T1066 K1067L1059-F1063 HydrophobicContact CD2-CE2 4.37Å; L1059-F1063 WeakPolarHBondContact O-CD2 3.44Å; L1059-F1063 PolarHBondContact O-N 3.49Å; Q1060-F1063 PolarHBondContact O-N 3.24Å; F1063-T1066 WeakPolarHBondContact CA-OG1 3.18Å; F1063-T1066 PolarHBondContact O-OG1 3.5Å; F1063-K1067 PolarHBondContact O-N 3.24Å
1064W61.8Low58Low176 Ų176122.3 Ų122.367%0.66761%0.611SS**Hα-helixtrans-74.1-39175.7-145.673.4000111.7Q1060 L1061 L1062 K1067 F1068Q1060-W1064 WeakPolarHBondContact O-CB 3.48Å; Q1060-W1064 PolarHBondContact O-N 3.11Å; L1061-W1064 PolarHBondContact O-N 2.93Å; L1062-W1064 VanDerWaalsContact C-N 3.32Å; W1064-K1067 PolarHBondContact O-N 3.48Å; W1064-F1068 HydrophobicContact CE3-CD2 4.35Å; W1064-F1068 AromaticContact CH2-CE2 3.99Å; W1064-F1068 HydrophobicContact CH2-CE2 3.99Å; W1064-F1068 HydrophobicContact CZ2-CE2 4.5Å; W1064-F1068 HydrophobicContact CZ3-CD2 4.24Å; W1064-F1068 HydrophobicContact CZ3-CE2 4.01Å; W1064-F1068 PolarHBondContact O-N 3.05Å
1065L58.3Low57.9Low100 Ų100116.9 Ų116.952%0.52460%0.599SS.*Hα-helixtrans-67.2-40.1174.8-86154.6000112.9L1061 L1062 F1068 L1069L1061-L1065 WeakPolarHBondContact O-CB 3.37Å; L1061-L1065 PolarHBondContact O-N 3.39Å; L1062-L1065 PolarHBondContact O-N 3.47Å; L1065-F1068 PolarHBondContact O-N 3.39Å; L1065-L1069 PolarHBondContact O-N 3.48Å
1066T57.5Low58.2Low59 Ų59120.2 Ų120.236%0.36261%0.608SS.*Hα-helixtrans-68.8-34.6176.549.60000112.3L1062 F1063 F1068 L1069 L1070L1062-T1066 WeakPolarHBondContact O-CG2 3.06Å; L1062-T1066 PolarHBondContact O-N 2.95Å; L1062-T1066 PolarHBondContact O-OG1 3.14Å; F1063-T1066 WeakPolarHBondContact CA-OG1 3.18Å; F1063-T1066 PolarHBondContact O-OG1 3.5Å; T1066-F1068 VanDerWaalsContact C-N 3.32Å; T1066-F1068 PolarHBondContact O-N 3.35Å; T1066-L1069 PolarHBondContact O-N 3.17Å; T1066-L1070 WeakPolarHBondContact O-CD1 3.47Å; T1066-L1070 PolarHBondContact O-N 2.93Å; T1066-L1070 VanDerWaalsContact O-N 3.11Å
1067K53.7Low58.2Low153 Ų153120.9 Ų120.967%0.66561%0.613SS**Hα-helixtrans-62.8-36.8170.2-90.2-174.1174.1-179.80113.1F1063 W1064F1063-K1067 PolarHBondContact O-N 3.24Å; W1064-K1067 PolarHBondContact O-N 3.48Å
1068F53.7Low57.6Low130 Ų130123.3 Ų123.357%0.5762%0.624SS**Hα-helixtrans-69.9-37.9176.9-115.8-83.6000112.5W1064 L1065 T1066 Q1071W1064-F1068 HydrophobicContact CE3-CD2 4.35Å; W1064-F1068 AromaticContact CH2-CE2 3.99Å; W1064-F1068 HydrophobicContact CH2-CE2 3.99Å; W1064-F1068 HydrophobicContact CZ2-CE2 4.5Å; W1064-F1068 HydrophobicContact CZ3-CD2 4.24Å; W1064-F1068 HydrophobicContact CZ3-CE2 4.01Å; W1064-F1068 PolarHBondContact O-N 3.05Å; L1065-F1068 PolarHBondContact O-N 3.39Å; T1066-F1068 VanDerWaalsContact C-N 3.32Å; T1066-F1068 PolarHBondContact O-N 3.35Å; F1068-Q1071 PolarHBondContact O-N 3.16Å
1069L49.6Very low56.5Low124 Ų124129.6 Ų129.665%0.64964%0.643SS**Hα-helixtrans-73-23.6177.7-85155.9000114.1L1065 T1066L1065-L1069 PolarHBondContact O-N 3.48Å; T1066-L1069 PolarHBondContact O-N 3.17Å
1070L48.2Very low55.7Low149 Ų149132 Ų13278%0.7865%0.653SS**THydrogen-bonded Turntrans-85.9-7.1174.1-96.2115000113.9T1066T1066-L1070 WeakPolarHBondContact O-CD1 3.47Å; T1066-L1070 PolarHBondContact O-N 2.93Å; T1066-L1070 VanDerWaalsContact O-N 3.11Å
1071Q46.1Very low55.1Low179 Ų179131.4 Ų131.484%0.83665%0.653SS**  trans-107.9-2.3177.5-86-176.4-29.200114.3F1068F1068-Q1071 PolarHBondContact O-N 3.16Å
1072S38.4Very low54Low145 Ų145133.9 Ų133.9100%1.01466%0.663SS**  trans-98.90163.471.60000110.3

Retrieved 1,072 of 1,072 residues in 876.8 ms (Link to these results)

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