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DNA topoisomerase 3-beta

Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. Introduces a single-strand break via transesterification at a target site in duplex DNA. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(5'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 3'-OH DNA strand. The free DNA strand than undergoes passage around the unbroken strand thus removing DNA supercoils. Finally, in the religation step, the DNA 3'-OH attacks the covalent intermediate to expel the active-site tyrosine and restore the DNA phosphodiester backbone (By similarity). Weakly relaxes negative supercoils and displays a distinct preference for binding single-stranded DNA.

AlphaFold DB , UniProt , Accession O96651, Species DROME (Drosophila melanogaster, Fruit fly), Gene Top3beta, Length 875 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
1M87.4Confident96.2Very high154 Ų15431.8 Ų31.876%0.75916%0.16SC*.  0125.10-179.8178.7-77.700106.8T42 H52M1-T42 HydrophobicContact CE-CG2 3.95Å; M1-T42 HydrophobicContact SD-CG2 4.18Å; M1-H52 HydrophobicContact SD-CB 4.17Å
2K95.4Very high95.9Very high72 Ų7234.5 Ų34.531%0.31318%0.184SC..  trans-72157.1176.7-68.4-170.8-177.5170.20110.6E48 V51 H52 D110 Y111K2-E48 HydrophobicContact CD-CG 4.37Å; K2-E48 VanDerWaalsContact CD-OE2 3.26Å; K2-E48 WeakPolarHBondContact CD-OE2 3.42Å; K2-E48 WeakPolarHBondContact CE-OE2 3.42Å; K2-E48 IonicContact NZ-OE1 2.79Å; K2-E48 PolarHBondContact NZ-OE1 2.84Å; K2-E48 IonicContact NZ-OE2 3.96Å; K2-E48 PolarHBondContact NZ-OE2 2.9Å; K2-V51 HydrophobicContact CB-CG1 4.2Å; K2-V51 WeakPolarHBondContact O-CA 3.49Å; K2-V51 WeakPolarHBondContact O-CB 3.47Å; K2-H52 PolarHBondContact O-N 3.32Å; K2-D110 WeakPolarHBondContact CA-OD2 3.5Å; K2-D110 HydrophobicContact CB-CB 4.28Å; K2-D110 VanDerWaalsContact CB-OD2 3.28Å; K2-D110 WeakPolarHBondContact CB-OD2 3.3Å; K2-D110 HydrophobicContact CD-CB 4.31Å; K2-D110 HydrophobicContact CG-CB 4.43Å; K2-Y111 HydrophobicContact CB-CE2 4.39Å; K2-Y111 HydrophobicContact CD-CE2 3.58Å; K2-Y111 PolarHBondContact NZ-OH 2.99Å
3S97.2Very high95.9Very high15 Ų1532 Ų3211%0.10517%0.17CC..EExtended strand (participates in β ladder)trans-120.7141.5176.9-59.60000111.9H52 D110 Y111S3-H52 CarbonylContact C-O 3.59Å; S3-H52 WeakPolarHBondContact CA-O 3.43Å; S3-D110 PolarHBondContact N-OD2 3.49Å; S3-D110 PolarHBondContact O-N 3.13Å; S3-Y111 PolarHBondContact O-N 2.96Å
4V98.3Very high95.9Very high0 Ų029.8 Ų29.80%016%0.159CC..EExtended strand (participates in β ladder)trans-117.9117.3-179.6-177.30000108.9M6 F45 V51 H52 F53 R54 Y111 V113V4-M6 HydrophobicContact CG1-CG 4.06Å; V4-F45 HydrophobicContact CG2-CB 4.45Å; V4-F45 HydrophobicContact CG2-CD1 4.01Å; V4-F45 HydrophobicContact CG2-CD2 4.47Å; V4-F45 HydrophobicContact CG2-CE1 4.35Å; V4-F45 HydrophobicContact CG2-CG 4.06Å; V4-V51 HydrophobicContact CG2-CB 4.28Å; V4-V51 HydrophobicContact CG2-CG2 3.85Å; V4-H52 PolarHBondContact N-O 2.76Å; V4-F53 HydrophobicContact CB-CD1 3.68Å; V4-F53 HydrophobicContact CB-CE1 3.84Å; V4-F53 HydrophobicContact CG1-CD1 4.02Å; V4-F53 HydrophobicContact CG1-CE1 3.97Å; V4-F53 HydrophobicContact CG2-CD1 4.23Å; V4-F53 HydrophobicContact CG2-CE1 3.98Å; V4-R54 PolarHBondContact O-N 3.47Å; V4-Y111 HydrophobicContact CG2-CD2 4.03Å; V4-V113 HydrophobicContact CG1-CG2 3.64Å
5L98.4Very high95.9Very high0 Ų030.5 Ų30.50%017%0.171CC..EExtended strand (participates in β ladder)trans-81.1133.7169-179.764.5000109.1V7 R54 T56 E105 A106 C109 Y111 L112 V113 V133 I137L5-V7 HydrophobicContact CD1-CG2 4.35Å; L5-V7 HydrophobicContact CD2-CG2 4.02Å; L5-V7 HydrophobicContact CG-CG2 3.89Å; L5-R54 CarbonylContact C-O 3.56Å; L5-R54 HydrophobicContact CD1-CB 4.47Å; L5-T56 HydrophobicContact CD1-CG2 4.1Å; L5-E105 HydrophobicContact CD1-CB 4.19Å; L5-A106 HydrophobicContact CD2-CB 3.76Å; L5-C109 HydrophobicContact CB-CB 4.05Å; L5-Y111 PolarHBondContact N-O 3.47Å; L5-L112 HydrophobicContact CB-CD1 4.27Å; L5-L112 HydrophobicContact CD2-CD1 4.02Å; L5-L112 HydrophobicContact CG-CD1 4.08Å; L5-L112 CarbonylContact O-C 3.5Å; L5-L112 WeakPolarHBondContact O-CA 3.45Å; L5-V113 PolarHBondContact O-N 3.26Å; L5-V133 HydrophobicContact CD2-CG1 4.37Å; L5-I137 HydrophobicContact CB-CD1 4.46Å; L5-I137 HydrophobicContact CD2-CD1 4.32Å
6M98.7Very high95.8Very high0 Ų031.2 Ų31.20%018%0.178CC..EExtended strand (participates in β ladder)trans-124.5131.6174.8-58.6-174.5-77.400109.3V4 L21 W41 F53 R54 M55 T56 V113V4-M6 HydrophobicContact CG1-CG 4.06Å; M6-L21 HydrophobicContact SD-CD1 4.47Å; M6-W41 HydrophobicContact CE-CH2 3.09Å; M6-W41 HydrophobicContact CE-CZ2 3.47Å; M6-W41 VanDerWaalsContact CE-CZ2 3.47Å; M6-W41 HydrophobicContact CE-CZ3 3.82Å; M6-W41 HydrophobicContact SD-CH2 4.44Å; M6-F53 HydrophobicContact CE-CB 3.52Å; M6-F53 HydrophobicContact CE-CD1 3.29Å; M6-F53 HydrophobicContact CE-CE1 4.22Å; M6-F53 HydrophobicContact CE-CG 3.67Å; M6-F53 HydrophobicContact CG-CD1 4.44Å; M6-F53 HydrophobicContact SD-CD1 3.7Å; M6-F53 HydrophobicContact SD-CE1 4.1Å; M6-R54 PolarHBondContact N-O 2.92Å; M6-M55 HydrophobicContact CB-CB 4.3Å; M6-M55 HydrophobicContact CB-CE 4.02Å; M6-M55 HydrophobicContact CB-SD 3.54Å; M6-M55 VanDerWaalsContact CB-SD 3.54Å; M6-M55 HydrophobicContact CE-CB 4.14Å; M6-M55 HydrophobicContact CE-CE 4.05Å; M6-M55 CarbonylContact O-C 3.53Å; M6-M55 WeakPolarHBondContact O-CA 3.4Å; M6-M55 HydrophobicContact SD-CE 4.04Å; M6-T56 PolarHBondContact O-N 3.32Å; M6-V113 VanDerWaalsContact CA-O 3.26Å; M6-V113 WeakPolarHBondContact CA-O 3.49Å; M6-V113 HydrophobicContact CG-CB 4.03Å; M6-V113 HydrophobicContact CG-CG2 4.44Å
7V98.7Very high95.9Very high0 Ų029.4 Ų29.40%017%0.167CC..EExtended strand (participates in β ladder)trans-128.9118.1-174-173.10000110.5L5 T56 V58 L102 L112 V113 W115 L116 V129L5-V7 HydrophobicContact CD1-CG2 4.35Å; L5-V7 HydrophobicContact CD2-CG2 4.02Å; L5-V7 HydrophobicContact CG-CG2 3.89Å; V7-T56 WeakPolarHBondContact CA-O 3.47Å; V7-T56 HydrophobicContact CG2-CG2 4.3Å; V7-V58 HydrophobicContact CG1-CG1 4.07Å; V7-L102 HydrophobicContact CG1-CD2 4.05Å; V7-L102 HydrophobicContact CG2-CD2 4.3Å; V7-L112 HydrophobicContact CG2-CD1 3.99Å; V7-V113 PolarHBondContact N-O 3.42Å; V7-V113 VanDerWaalsContact N-O 3.1Å; V7-W115 CarbonylContact O-C 3.53Å; V7-W115 WeakPolarHBondContact O-CA 3.22Å; V7-W115 PolarHBondContact O-N 3.29Å; V7-L116 WeakPolarHBondContact O-CD1 3.45Å; V7-V129 HydrophobicContact CB-CG1 4.04Å; V7-V129 HydrophobicContact CG1-CG1 4.03Å; V7-V129 HydrophobicContact CG1-CG2 3.93Å; V7-V129 HydrophobicContact CG2-CG1 3.89Å
8A98.3Very high96Very high0 Ų027.7 Ų27.70%016%0.158CC..EExtended strand (participates in β ladder)trans-98.4167.4173.300000112.6L13 A14 L17 T56 S57 V58 W115A8-L13 HydrophobicContact CB-CB 4.31Å; A8-L13 HydrophobicContact CB-CD2 4.09Å; A8-L13 HydrophobicContact CB-CG 4Å; A8-A14 HydrophobicContact CB-CB 3.95Å; A8-L17 HydrophobicContact CB-CD1 3.94Å; A8-T56 PolarHBondContact N-O 2.83Å; A8-S57 CarbonylContact O-C 3.55Å; A8-S57 WeakPolarHBondContact O-CA 3.49Å; A8-S57 WeakPolarHBondContact O-CB 3.46Å; A8-V58 PolarHBondContact O-N 3.49Å; A8-W115 WeakPolarHBondContact CA-O 3.15Å; A8-W115 HydrophobicContact CB-CB 4.22Å
9E97.1Very high96Very high19 Ų1927.7 Ų27.79%0.08917%0.165CC..SBendtrans-73.7-32-176.6-168.9-179.9122.900114.1L13 V58 C59 G60 L116 D117 I125E9-L13 HydrophobicContact CB-CD2 4.43Å; E9-V58 CarbonylContact O-C 3.58Å; E9-V58 WeakPolarHBondContact O-CG2 3.36Å; E9-C59 PolarHBondContact O-N 2.84Å; E9-G60 PolarHBondContact O-N 2.83Å; E9-L116 HydrophobicContact CB-CB 4.41Å; E9-L116 HydrophobicContact CB-CD2 4.5Å; E9-L116 HydrophobicContact CB-CG 4.48Å; E9-D117 WeakPolarHBondContact OE2-CB 3.29Å; E9-D117 PolarHBondContact OE2-N 2.85Å; E9-I125 HydrophobicContact CG-CD1 4.17Å
10K94.6Very high96Very high44 Ų4428 Ų2819%0.19117%0.165CC..SBendtrans-136.1150.2-173.6-65169.6-171.7155.90111.1S12 L13 A14 S57 E322K10-S12 VanDerWaalsContact C-N 3.34Å; K10-S12 PolarHBondContact O-N 3.45Å; K10-L13 HydrophobicContact CB-CB 4.34Å; K10-L13 WeakPolarHBondContact O-CB 3.26Å; K10-L13 PolarHBondContact O-N 3.4Å; K10-A14 PolarHBondContact O-N 3.16Å; K10-S57 VanDerWaalsContact C-CB 3.48Å; K10-S57 WeakPolarHBondContact O-CB 3.38Å; K10-E322 IonicContact NZ-OE2 3.5Å; K10-E322 PolarHBondContact NZ-OE2 2.74Å
11P94.3Very high96.1Very high46 Ų4627.9 Ų27.930%0.29916%0.164SC..Hα-helixtrans-58.2-40.1-179.9-27.636.2000114.7L13 A14 A15 S57 V58P11-L13 VanDerWaalsContact C-N 3.32Å; P11-L13 PolarHBondContact O-N 2.91Å; P11-A14 PolarHBondContact O-N 3.31Å; P11-A15 PolarHBondContact O-N 3.43Å; P11-A15 VanDerWaalsContact O-N 3.13Å; P11-S57 VanDerWaalsContact CA-OG 3.23Å; P11-S57 WeakPolarHBondContact CA-OG 3.37Å; P11-V58 WeakPolarHBondContact CD-O 3.11Å
12S92.8Very high96.6Very high64 Ų6420.7 Ų20.745%0.44813%0.128SC..Hα-helixtrans-65.7-36176.545.10000112.3K10 A15 S16 T326K10-S12 VanDerWaalsContact C-N 3.34Å; K10-S12 PolarHBondContact O-N 3.45Å; S12-A15 PolarHBondContact O-N 3.36Å; S12-S16 PolarHBondContact O-N 3.46Å; S12-S16 VanDerWaalsContact O-N 3.13Å; S12-S16 PolarHBondContact O-OG 3.46Å; S12-T326 WeakPolarHBondContact OG-CG2 3.39Å
13L95Very high96.6Very high2 Ų221.3 Ų21.31%0.0114%0.135CC..Hα-helixtrans-66.5-47.7176.8-178.960.4000110.7A8 E9 K10 P11 A15 S16 L17 D117 I154 T326A8-L13 HydrophobicContact CB-CB 4.31Å; A8-L13 HydrophobicContact CB-CD2 4.09Å; A8-L13 HydrophobicContact CB-CG 4Å; E9-L13 HydrophobicContact CB-CD2 4.43Å; K10-L13 HydrophobicContact CB-CB 4.34Å; K10-L13 WeakPolarHBondContact O-CB 3.26Å; K10-L13 PolarHBondContact O-N 3.4Å; P11-L13 VanDerWaalsContact C-N 3.32Å; P11-L13 PolarHBondContact O-N 2.91Å; L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.23Å; L13-S16 PolarHBondContact O-N 3.29Å; L13-L17 HydrophobicContact CD1-CD1 4.05Å; L13-L17 HydrophobicContact CD1-CD2 4.49Å; L13-L17 HydrophobicContact CD1-CG 4.05Å; L13-L17 HydrophobicContact CG-CD1 3.84Å; L13-L17 HydrophobicContact CG-CG 4.29Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.28Å; L13-D117 WeakPolarHBondContact CD2-OD1 3.4Å; L13-I154 HydrophobicContact CD1-CD1 3.27Å; L13-I154 HydrophobicContact CD1-CG1 3.81Å; L13-T326 HydrophobicContact CB-CG2 4.25Å
14A96.7Very high96.5Very high1 Ų123.6 Ų23.61%0.00816%0.161CC..Hα-helixtrans-56.9-42.617600000112.8A8 K10 P11 A18 M55 T56A8-A14 HydrophobicContact CB-CB 3.95Å; K10-A14 PolarHBondContact O-N 3.16Å; P11-A14 PolarHBondContact O-N 3.31Å; A14-A18 VanDerWaalsContact O-CB 3.26Å; A14-A18 WeakPolarHBondContact O-CB 3.41Å; A14-A18 PolarHBondContact O-N 3.49Å; A14-M55 HydrophobicContact CB-CG 3.99Å; A14-T56 WeakPolarHBondContact CB-O 3.39Å
15A95.2Very high96.4Very high41 Ų4132.2 Ų32.234%0.33919%0.193SC..Hα-helixtrans-62.4-46.1177.800000112P11 S12 L13 G19P11-A15 PolarHBondContact O-N 3.43Å; P11-A15 VanDerWaalsContact O-N 3.13Å; S12-A15 PolarHBondContact O-N 3.36Å; L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.23Å; A15-G19 PolarHBondContact O-N 3.48Å
16S95.1Very high96.3Very high41 Ų4133.8 Ų33.829%0.28720%0.204SC..Hα-helixtrans-63.2-47177.6-64.80000112S12 L13 G19 I20S12-S16 PolarHBondContact O-N 3.46Å; S12-S16 VanDerWaalsContact O-N 3.13Å; S12-S16 PolarHBondContact O-OG 3.46Å; L13-S16 PolarHBondContact O-N 3.29Å; S16-G19 PolarHBondContact O-N 2.86Å; S16-I20 WeakPolarHBondContact O-CG1 3.29Å; S16-I20 PolarHBondContact O-N 3.2Å
17L97.2Very high96.2Very high0 Ų038.3 Ų38.30%023%0.232CC..Hα-helixtrans-62.2-45.5179.1-67.4172.9000111.7A8 L13 G19 I20 L21 M55 W115 I154 I159A8-L17 HydrophobicContact CB-CD1 3.94Å; L13-L17 HydrophobicContact CD1-CD1 4.05Å; L13-L17 HydrophobicContact CD1-CD2 4.49Å; L13-L17 HydrophobicContact CD1-CG 4.05Å; L13-L17 HydrophobicContact CG-CD1 3.84Å; L13-L17 HydrophobicContact CG-CG 4.29Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.28Å; L17-G19 VanDerWaalsContact C-N 3.33Å; L17-G19 PolarHBondContact O-N 2.76Å; L17-I20 PolarHBondContact O-N 3.31Å; L17-L21 WeakPolarHBondContact O-CB 3.39Å; L17-L21 WeakPolarHBondContact O-CG 3.02Å; L17-L21 PolarHBondContact O-N 3.18Å; L17-M55 HydrophobicContact CB-CE 3.6Å; L17-M55 HydrophobicContact CB-SD 4.38Å; L17-M55 HydrophobicContact CD1-CE 4.42Å; L17-W115 HydrophobicContact CD1-CB 3.71Å; L17-W115 HydrophobicContact CD1-CD2 4.08Å; L17-W115 HydrophobicContact CD1-CE3 3.86Å; L17-W115 HydrophobicContact CD1-CG 4.08Å; L17-W115 HydrophobicContact CD2-CE3 3.79Å; L17-W115 HydrophobicContact CD2-CZ3 3.99Å; L17-W115 HydrophobicContact CG-CE3 4.42Å; L17-I154 HydrophobicContact CD2-CD1 4.49Å; L17-I159 HydrophobicContact CD2-CB 4.44Å; L17-I159 HydrophobicContact CD2-CD1 3.34Å; L17-I159 HydrophobicContact CD2-CG1 3.74Å; L17-I159 HydrophobicContact CD2-CG2 3.83Å
18A97.5Very high95.9Very high0 Ų041.9 Ų41.90%026%0.261CS..Hα-helixtrans-62-41.3176.700000112A14 I20 S22 C26 H39 W41 M55A14-A18 VanDerWaalsContact O-CB 3.26Å; A14-A18 WeakPolarHBondContact O-CB 3.41Å; A14-A18 PolarHBondContact O-N 3.49Å; A18-I20 PolarHBondContact O-N 3.39Å; A18-S22 WeakPolarHBondContact O-CB 3.46Å; A18-S22 PolarHBondContact O-N 3.26Å; A18-S22 PolarHBondContact O-OG 2.99Å; A18-C26 HydrophobicContact CB-CB 4.41Å; A18-H39 HydrophobicContact CB-CB 3.45Å; A18-H39 VanDerWaalsContact CB-CB 3.45Å; A18-W41 HydrophobicContact CB-CH2 4.27Å; A18-W41 HydrophobicContact CB-CZ3 3.81Å; A18-M55 HydrophobicContact CB-CB 4.08Å; A18-M55 HydrophobicContact CB-CG 4.1Å
19G96.6Very high95.7Very high27 Ų2747.6 Ų47.628%0.27829%0.286SS..Hα-helixtrans-58.3-45.7175.400000112.3A15 S16 L17 N23 G24A15-G19 PolarHBondContact O-N 3.48Å; S16-G19 PolarHBondContact O-N 2.86Å; L17-G19 VanDerWaalsContact C-N 3.33Å; L17-G19 PolarHBondContact O-N 2.76Å; G19-N23 PolarHBondContact O-N 2.9Å; G19-G24 PolarHBondContact O-N 3.42Å
20I96.3Very high95Very high33 Ų3357.5 Ų57.517%0.16932%0.323CS..Hα-helixtrans-66.5-53.6178.2-67.9167.4000111.6S16 L17 A18 S22 N23 I154 E156 I159S16-I20 WeakPolarHBondContact O-CG1 3.29Å; S16-I20 PolarHBondContact O-N 3.2Å; L17-I20 PolarHBondContact O-N 3.31Å; A18-I20 PolarHBondContact O-N 3.39Å; I20-S22 VanDerWaalsContact C-N 3.31Å; I20-S22 PolarHBondContact O-N 2.96Å; I20-N23 PolarHBondContact O-N 3.44Å; I20-N23 VanDerWaalsContact O-N 3.14Å; I20-I154 HydrophobicContact CD1-CG2 4.1Å; I20-E156 HydrophobicContact CG2-CB 4.34Å; I20-E156 HydrophobicContact CG2-CG 4.29Å; I20-I159 HydrophobicContact CB-CG2 4.38Å; I20-I159 HydrophobicContact CD1-CB 4.48Å; I20-I159 HydrophobicContact CD1-CG1 4.09Å; I20-I159 HydrophobicContact CG2-CB 4.02Å; I20-I159 HydrophobicContact CG2-CG2 3.91Å
21L97.5Very high93.9Very high27 Ų2756.4 Ų56.414%0.14132%0.324CS..Hα-helixtrans-68.1-30.8-173-68.8170.7000112.6M6 L17 W41 M55 W115 I159 M163M6-L21 HydrophobicContact SD-CD1 4.47Å; L17-L21 WeakPolarHBondContact O-CB 3.39Å; L17-L21 WeakPolarHBondContact O-CG 3.02Å; L17-L21 PolarHBondContact O-N 3.18Å; L21-W41 HydrophobicContact CB-CH2 4.09Å; L21-W41 HydrophobicContact CB-CZ2 3.59Å; L21-W41 HydrophobicContact CD1-CH2 4.42Å; L21-W41 HydrophobicContact CD1-CZ2 4.36Å; L21-M55 HydrophobicContact CD1-CE 3.73Å; L21-W115 HydrophobicContact CD1-CH2 4.15Å; L21-W115 HydrophobicContact CD1-CZ2 3.67Å; L21-W115 HydrophobicContact CD2-CH2 4.43Å; L21-W115 HydrophobicContact CD2-CZ2 4.44Å; L21-I159 HydrophobicContact CD1-CG2 4.38Å; L21-I159 HydrophobicContact CD2-CG2 3.8Å; L21-I159 HydrophobicContact CG-CG2 3.87Å; L21-M163 HydrophobicContact CD2-CB 3.95Å; L21-M163 HydrophobicContact CD2-CG 4.13Å
22S97.1Very high92.8Very high2 Ų260.8 Ų60.81%0.01435%0.35CS..Hα-helixtrans-85.3-8176.769.50000113.8A18 I20 G24 R25 C26A18-S22 WeakPolarHBondContact O-CB 3.46Å; A18-S22 PolarHBondContact O-N 3.26Å; A18-S22 PolarHBondContact O-OG 2.99Å; I20-S22 VanDerWaalsContact C-N 3.31Å; I20-S22 PolarHBondContact O-N 2.96Å; S22-G24 VanDerWaalsContact C-N 3.28Å; S22-G24 PolarHBondContact OG-N 3.15Å; S22-R25 WeakPolarHBondContact O-CB 3.39Å; S22-R25 PolarHBondContact O-N 3.21Å; S22-R25 PolarHBondContact O-NE 3.06Å; S22-R25 PolarHBondContact OG-N 3.32Å; S22-R25 VanDerWaalsContact OG-N 3.15Å; S22-C26 WeakPolarHBondContact OG-CB 3.38Å; S22-C26 PolarHBondContact OG-N 2.75Å
23N96.1Very high91.5Very high86 Ų8661.6 Ų61.646%0.4637%0.368SS..THydrogen-bonded Turntrans51.447.5-164.2-52.4-63000111.5G19 I20 R25 K160G19-N23 PolarHBondContact O-N 2.9Å; I20-N23 PolarHBondContact O-N 3.44Å; I20-N23 VanDerWaalsContact O-N 3.14Å; N23-R25 VanDerWaalsContact C-N 3.28Å; N23-R25 PolarHBondContact ND2-NH2 2.92Å; N23-R25 PolarHBondContact O-N 3.04Å; N23-K160 PolarHBondContact OD1-NZ 3.43Å
24G94.9Very high90.7Very high62 Ų6261.8 Ų61.864%0.63937%0.369SS*.THydrogen-bonded Turntrans75.16.6178.800000115.6G19 S22G19-G24 PolarHBondContact O-N 3.42Å; S22-G24 VanDerWaalsContact C-N 3.28Å; S22-G24 PolarHBondContact OG-N 3.15Å
25R95.6Very high90Very high182 Ų18264.5 Ų64.569%0.68740%0.398SS*.  trans-92.60.3-176-63.4178.2-70.7-154.14.1114.4S22 N23S22-R25 WeakPolarHBondContact O-CB 3.39Å; S22-R25 PolarHBondContact O-N 3.21Å; S22-R25 PolarHBondContact O-NE 3.06Å; S22-R25 PolarHBondContact OG-N 3.32Å; S22-R25 VanDerWaalsContact OG-N 3.15Å; N23-R25 VanDerWaalsContact C-N 3.28Å; N23-R25 PolarHBondContact ND2-NH2 2.92Å; N23-R25 PolarHBondContact O-N 3.04Å
26C96.6Very high89.9Confident32 Ų3262.7 Ų62.722%0.21638%0.382CS..PPolyproline II helixtrans-68.7143.6178.365.90000112A18 S22 H39 E40 W41A18-C26 HydrophobicContact CB-CB 4.41Å; S22-C26 WeakPolarHBondContact OG-CB 3.38Å; S22-C26 PolarHBondContact OG-N 2.75Å; C26-H39 HydrophobicContact CB-CB 4.24Å; C26-E40 CarbonylContact C-O 3.52Å; C26-E40 VanDerWaalsContact CA-O 3.3Å; C26-E40 WeakPolarHBondContact CA-O 3.24Å; C26-W41 HydrophobicContact CB-CB 4.47Å; C26-W41 HydrophobicContact CB-CE3 3.86Å; C26-W41 HydrophobicContact CB-CZ3 4.5Å
27T96.4Very high89.9Confident96 Ų9662.3 Ų62.359%0.58938%0.379SS*.EExtended strand (participates in β ladder)trans-100.9132169.756.40000109.7H39 E40T27-H39 CarbonylContact O-C 3.59Å; T27-H39 WeakPolarHBondContact O-CA 3.26Å; T27-E40 PolarHBondContact N-O 3.03Å; T27-E40 PolarHBondContact O-N 2.89Å; T27-E40 PolarHBondContact OG1-O 2.98Å
28A94Very high89.8Confident75 Ų7562.4 Ų62.462%0.6238%0.38SS*.EExtended strand (participates in β ladder)trans-96.8130-178.700000111.3T38A28-T38 CarbonylContact C-O 3.57Å; A28-T38 WeakPolarHBondContact CA-O 3.36Å
29K92.3Very high89.9Confident120 Ų12063.3 Ų63.352%0.52238%0.384SS..EExtended strand (participates in β ladder)trans-116.3124.2173-176-178.9175.9-173.20108.9G31 S37 T38K29-G31 PolarHBondContact O-N 2.77Å; K29-S37 WeakPolarHBondContact O-CA 3.17Å; K29-T38 PolarHBondContact N-O 2.87Å; K29-T38 PolarHBondContact O-N 2.88Å
30R82.7Confident89.9Confident227 Ų22763.9 Ų63.986%0.85738%0.38SS*.EExtended strand (participates in β ladder)trans-68.8132.5176.3-88.6-175.5178.6172.80.9110.8
31G72.8Confident90Very high21 Ų2163.3 Ų63.322%0.21638%0.376CS..  trans-69.8157.5167.900000111.9K29 G33 C36K29-G31 PolarHBondContact O-N 2.77Å; G31-G33 PolarHBondContact O-N 2.85Å; G31-C36 WeakPolarHBondContact CA-O 3.33Å; G31-C36 PolarHBondContact N-O 2.88Å
32T69.4Low90Very high137 Ų13766 Ų6684%0.8439%0.393SS*.SBendtrans-79.397.9178.634.50000111.2N34T32-N34 VanDerWaalsContact C-N 3.28Å; T32-N34 PolarHBondContact O-N 3.03Å; T32-N34 VanDerWaalsContact O-N 3.12Å
33G66.6Low89.9Confident81 Ų8166.8 Ų66.884%0.83540%0.401SS*.SBendtrans72.84.8160.400000117.5G31G31-G33 PolarHBondContact O-N 2.85Å
34N77.4Confident89.9Confident6 Ų668.9 Ų68.93%0.03241%0.413CS..SBendtrans-99.5-12.6-178.761.3-0.1000114.5T32 C36 Q96 F101T32-N34 VanDerWaalsContact C-N 3.28Å; T32-N34 PolarHBondContact O-N 3.03Å; T32-N34 VanDerWaalsContact O-N 3.12Å; N34-C36 PolarHBondContact OD1-N 2.79Å; N34-C36 PolarHBondContact OD1-O 2.82Å; N34-Q96 HydrophobicContact CB-CB 4.41Å; N34-Q96 WeakPolarHBondContact CB-O 3.46Å; N34-Q96 PolarHBondContact O-NE2 2.98Å; N34-F101 WeakPolarHBondContact ND2-CB 3.35Å; N34-F101 WeakPolarHBondContact ND2-CD1 3.44Å; N34-F101 WeakPolarHBondContact ND2-CD2 3.42Å; N34-F101 WeakPolarHBondContact ND2-CE2 3.37Å; N34-F101 WeakPolarHBondContact ND2-CG 3.33Å
35G83.3Confident89.9Confident59 Ų5966.2 Ų66.261%0.60838%0.383SS*.SBendtrans88.6-2.4-176.300000114.7
36C92.8Very high89.6Confident2 Ų264.3 Ų64.31%0.01438%0.376CS..  trans-96.5152.7178.1-61.40000111.2G31 N34 S57 C59 F101G31-C36 WeakPolarHBondContact CA-O 3.33Å; G31-C36 PolarHBondContact N-O 2.88Å; N34-C36 PolarHBondContact OD1-N 2.79Å; N34-C36 PolarHBondContact OD1-O 2.82Å; C36-S57 PolarHBondContact SG-O 3.2Å; C36-C59 VanDerWaalsContact SG-SG 3.7Å; C36-F101 HydrophobicContact CB-CE1 3.7Å; C36-F101 HydrophobicContact CB-CZ 3.81Å
37S94.3Very high89.2Confident33 Ų3370.8 Ų70.823%0.23141%0.409CS..EExtended strand (participates in β ladder)trans-119.3158.8170.3-58.90000109.6K29 T56K29-S37 WeakPolarHBondContact O-CA 3.17Å; S37-T56 PolarHBondContact O-OG1 2.87Å
38T96.7Very high89Confident2 Ų270 Ų701%0.01240%0.399CS..EExtended strand (participates in β ladder)trans-112129.8171.6-55.40000108.4A28 K29 E40 R54 M55 E105A28-T38 CarbonylContact C-O 3.57Å; A28-T38 WeakPolarHBondContact CA-O 3.36Å; K29-T38 PolarHBondContact N-O 2.87Å; K29-T38 PolarHBondContact O-N 2.88Å; T38-E40 HydrophobicContact CG2-CG 4.03Å; T38-R54 HydrophobicContact CG2-CB 4.1Å; T38-M55 CarbonylContact C-O 3.17Å; T38-M55 VanDerWaalsContact CA-O 3.32Å; T38-M55 WeakPolarHBondContact CA-O 3.47Å; T38-E105 WeakPolarHBondContact CB-OE2 3.26Å; T38-E105 WeakPolarHBondContact CG2-OE2 3.35Å; T38-E105 VanDerWaalsContact OG1-CD 3.27Å; T38-E105 PolarHBondContact OG1-OE2 2.8Å
39H97.7Very high88.8Confident19 Ų1968.1 Ų68.19%0.08839%0.386CS..EExtended strand (participates in β ladder)trans-111.7122.4-179.9-55.5-96.7000109A18 C26 T27 M55A18-H39 HydrophobicContact CB-CB 3.45Å; A18-H39 VanDerWaalsContact CB-CB 3.45Å; C26-H39 HydrophobicContact CB-CB 4.24Å; T27-H39 CarbonylContact O-C 3.59Å; T27-H39 WeakPolarHBondContact O-CA 3.26Å; H39-M55 HydrophobicContact CB-CB 4.27Å; H39-M55 PolarHBondContact N-O 2.84Å; H39-M55 PolarHBondContact O-N 2.8Å
40E97.8Very high89Confident39 Ų3965.1 Ų65.118%0.18238%0.38CS..EExtended strand (participates in β ladder)trans-120.1139.4-170.6-55.4-169-16400112.4C26 T27 T38 H52 F53 R54C26-E40 CarbonylContact C-O 3.52Å; C26-E40 VanDerWaalsContact CA-O 3.3Å; C26-E40 WeakPolarHBondContact CA-O 3.24Å; T27-E40 PolarHBondContact N-O 3.03Å; T27-E40 PolarHBondContact O-N 2.89Å; T27-E40 PolarHBondContact OG1-O 2.98Å; T38-E40 HydrophobicContact CG2-CG 4.03Å; E40-H52 IonicContact OE2-CD2 3.97Å; E40-H52 IonicContact OE2-CE1 3.49Å; E40-H52 PolarHBondContact OE2-CE1 3.4Å; E40-H52 IonicContact OE2-NE2 2.9Å; E40-H52 PolarHBondContact OE2-NE2 2.66Å; E40-F53 VanDerWaalsContact CA-O 3.26Å; E40-F53 WeakPolarHBondContact CA-O 3.37Å; E40-R54 HydrophobicContact CG-CG 4.1Å
41W97.8Very high89.7Confident22 Ų2254.4 Ų54.48%0.08334%0.34CS..EExtended strand (participates in β ladder)trans-158.7166.7171.970.3101.5000111.4M6 A18 L21 C26 F53 M55M6-W41 HydrophobicContact CE-CH2 3.09Å; M6-W41 HydrophobicContact CE-CZ2 3.47Å; M6-W41 VanDerWaalsContact CE-CZ2 3.47Å; M6-W41 HydrophobicContact CE-CZ3 3.82Å; M6-W41 HydrophobicContact SD-CH2 4.44Å; A18-W41 HydrophobicContact CB-CH2 4.27Å; A18-W41 HydrophobicContact CB-CZ3 3.81Å; L21-W41 HydrophobicContact CB-CH2 4.09Å; L21-W41 HydrophobicContact CB-CZ2 3.59Å; L21-W41 HydrophobicContact CD1-CH2 4.42Å; L21-W41 HydrophobicContact CD1-CZ2 4.36Å; C26-W41 HydrophobicContact CB-CB 4.47Å; C26-W41 HydrophobicContact CB-CE3 3.86Å; C26-W41 HydrophobicContact CB-CZ3 4.5Å; W41-F53 AromaticContact CD1-CD2 3.91Å; W41-F53 HydrophobicContact CD2-CB 3.67Å; W41-F53 HydrophobicContact CD2-CD2 4.42Å; W41-F53 HydrophobicContact CD2-CG 4.39Å; W41-F53 AromaticContact CE2-CD2 3.7Å; W41-F53 AromaticContact CE2-CG 3.78Å; W41-F53 HydrophobicContact CE3-CB 3.95Å; W41-F53 HydrophobicContact CG-CB 4.26Å; W41-F53 HydrophobicContact CH2-CB 4.09Å; W41-F53 HydrophobicContact CZ2-CB 3.76Å; W41-F53 HydrophobicContact CZ2-CD2 4.13Å; W41-F53 AromaticContact CZ2-CG 3.89Å; W41-F53 HydrophobicContact CZ2-CG 3.89Å; W41-F53 HydrophobicContact CZ3-CB 4.15Å; W41-F53 PolarHBondContact N-O 3.47Å; W41-F53 AromaticContact NE1-CD2 3.31Å; W41-F53 VanDerWaalsContact NE1-CD2 3.31Å; W41-F53 AromaticContact NE1-CG 3.9Å; W41-F53 PolarHBondContact O-N 3.13Å; W41-M55 HydrophobicContact CH2-CB 4.14Å; W41-M55 HydrophobicContact CH2-CE 4.24Å; W41-M55 HydrophobicContact CZ3-CB 3.84Å
42T97.6Very high90.9Very high82 Ų8255.2 Ų55.250%0.50334%0.338SS..EExtended strand (participates in β ladder)trans-101.6136.8171.6-52.90000109.8M1 S50 V51M1-T42 HydrophobicContact CE-CG2 3.95Å; M1-T42 HydrophobicContact SD-CG2 4.18Å; T42-S50 WeakPolarHBondContact CG2-OG 3.2Å; T42-V51 WeakPolarHBondContact CA-O 3.19Å
43G95.7Very high92.3Very high19 Ų1949 Ų4920%0.19630%0.299CS..EExtended strand (participates in β ladder)trans-163.1-179.3179.200000112.1S50 V51G43-S50 CarbonylContact O-C 3.56Å; G43-S50 WeakPolarHBondContact O-CA 3.47Å; G43-V51 PolarHBondContact N-O 2.83Å; G43-V51 VanDerWaalsContact N-O 3.07Å; G43-V51 PolarHBondContact O-N 3.19Å
44N94.7Very high93.8Very high130 Ų13047.8 Ų47.870%0.69527%0.269SS*.EExtended strand (participates in β ladder)trans-87.9141.6178.6-68.1-21.4000111.2G49N44-G49 VanDerWaalsContact CA-O 3.28Å; N44-G49 WeakPolarHBondContact CA-O 3.4Å
45F95.6Very high94.8Very high6 Ų647.5 Ų47.53%0.02627%0.268CS..  trans-134.6112.1173.8-175.4-109.9000111.4V4 N47 E48 G49 V51 F53 Y111 V113 Y147 M163 L166V4-F45 HydrophobicContact CG2-CB 4.45Å; V4-F45 HydrophobicContact CG2-CD1 4.01Å; V4-F45 HydrophobicContact CG2-CD2 4.47Å; V4-F45 HydrophobicContact CG2-CE1 4.35Å; V4-F45 HydrophobicContact CG2-CG 4.06Å; F45-N47 PolarHBondContact O-N 2.93Å; F45-E48 WeakPolarHBondContact O-CB 3.47Å; F45-E48 PolarHBondContact O-N 2.85Å; F45-G49 PolarHBondContact N-O 2.85Å; F45-V51 HydrophobicContact CB-CB 4.36Å; F45-V51 HydrophobicContact CB-CG1 4Å; F45-V51 HydrophobicContact CB-CG2 3.41Å; F45-V51 VanDerWaalsContact CB-CG2 3.41Å; F45-V51 HydrophobicContact CG-CG2 4.41Å; F45-F53 HydrophobicContact CB-CE1 4.35Å; F45-F53 HydrophobicContact CB-CZ 3.82Å; F45-F53 AromaticContact CD2-CE1 3.98Å; F45-F53 HydrophobicContact CD2-CE1 3.98Å; F45-F53 AromaticContact CD2-CZ 3.99Å; F45-F53 HydrophobicContact CD2-CZ 3.99Å; F45-F53 HydrophobicContact CG-CE1 4.42Å; F45-F53 HydrophobicContact CG-CZ 4.3Å; F45-Y111 HydrophobicContact CD1-CD2 4.3Å; F45-Y111 HydrophobicContact CE1-CD1 4.42Å; F45-Y111 HydrophobicContact CE1-CD2 4.09Å; F45-Y111 HydrophobicContact CE1-CG 4.04Å; F45-V113 HydrophobicContact CE2-CG2 4.01Å; F45-V113 HydrophobicContact CZ-CG2 4.12Å; F45-Y147 HydrophobicContact CE1-CE2 4.28Å; F45-Y147 AromaticContact CZ-CD2 3.98Å; F45-Y147 HydrophobicContact CZ-CD2 3.98Å; F45-Y147 HydrophobicContact CZ-CE2 4.05Å; F45-M163 HydrophobicContact CD2-CE 3.56Å; F45-M163 HydrophobicContact CE2-CE 3.87Å; F45-L166 HydrophobicContact CE2-CD1 3.78Å; F45-L166 HydrophobicContact CZ-CD1 4.22Å
46R89.9Confident95.4Very high143 Ų14344.7 Ų44.754%0.5424%0.239SC..G310 helixtrans47-129.7177.3-56.4177.970.2110.8-0.7110.7
47N88.1Confident95.7Very high168 Ų16844.6 Ų44.690%0.89824%0.238SC*.G310 helixtrans-91.15.2-178.7-59.9-19.2000113.5F45 G49F45-N47 PolarHBondContact O-N 2.93Å; N47-G49 VanDerWaalsContact C-N 3.31Å
48E91.5Very high95.8Very high80 Ų8043 Ų4337%0.37423%0.227SC..G310 helixtrans-82.1-11.7-178.6-64.2-64.4161.300113K2 F45 V51 Y111K2-E48 HydrophobicContact CD-CG 4.37Å; K2-E48 VanDerWaalsContact CD-OE2 3.26Å; K2-E48 WeakPolarHBondContact CD-OE2 3.42Å; K2-E48 WeakPolarHBondContact CE-OE2 3.42Å; K2-E48 IonicContact NZ-OE1 2.79Å; K2-E48 PolarHBondContact NZ-OE1 2.84Å; K2-E48 IonicContact NZ-OE2 3.96Å; K2-E48 PolarHBondContact NZ-OE2 2.9Å; F45-E48 WeakPolarHBondContact O-CB 3.47Å; F45-E48 PolarHBondContact O-N 2.85Å; E48-V51 HydrophobicContact CB-CG1 3.9Å; E48-Y111 HydrophobicContact CG-CE2 4.01Å; E48-Y111 PolarHBondContact OE1-OH 2.89Å
49G91Very high95.7Very high34 Ų3445.3 Ų45.335%0.35124%0.243SC..  trans70.6-136.6-170.900000111.2N44 F45 N47N44-G49 VanDerWaalsContact CA-O 3.28Å; N44-G49 WeakPolarHBondContact CA-O 3.4Å; F45-G49 PolarHBondContact N-O 2.85Å; N47-G49 VanDerWaalsContact C-N 3.31Å
50S95.6Very high95.5Very high58 Ų5845.1 Ų45.141%0.40625%0.246SC..EExtended strand (participates in β ladder)trans-76.2122.8-175.5-172.90000111.8T42 G43T42-S50 WeakPolarHBondContact CG2-OG 3.2Å; G43-S50 CarbonylContact O-C 3.56Å; G43-S50 WeakPolarHBondContact O-CA 3.47Å
51V97.6Very high95.4Very high1 Ų145.6 Ų45.61%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-127.7161.5179.7-57.40000111.3K2 V4 T42 G43 F45 E48 F53K2-V51 HydrophobicContact CB-CG1 4.2Å; K2-V51 WeakPolarHBondContact O-CA 3.49Å; K2-V51 WeakPolarHBondContact O-CB 3.47Å; V4-V51 HydrophobicContact CG2-CB 4.28Å; V4-V51 HydrophobicContact CG2-CG2 3.85Å; T42-V51 WeakPolarHBondContact CA-O 3.19Å; G43-V51 PolarHBondContact N-O 2.83Å; G43-V51 VanDerWaalsContact N-O 3.07Å; G43-V51 PolarHBondContact O-N 3.19Å; F45-V51 HydrophobicContact CB-CB 4.36Å; F45-V51 HydrophobicContact CB-CG1 4Å; F45-V51 HydrophobicContact CB-CG2 3.41Å; F45-V51 VanDerWaalsContact CB-CG2 3.41Å; F45-V51 HydrophobicContact CG-CG2 4.41Å; E48-V51 HydrophobicContact CB-CG1 3.9Å; V51-F53 HydrophobicContact CG2-CD1 4.47Å; V51-F53 HydrophobicContact CG2-CD2 4.11Å; V51-F53 HydrophobicContact CG2-CE1 4.07Å; V51-F53 HydrophobicContact CG2-CE2 3.69Å; V51-F53 HydrophobicContact CG2-CG 4.5Å; V51-F53 HydrophobicContact CG2-CZ 3.68Å
52H97.9Very high95.3Very high39 Ų3944.8 Ų44.818%0.18125%0.245CC..EExtended strand (participates in β ladder)trans-93.5116171.7-166.963.1000110.7M1 K2 S3 V4 E40M1-H52 HydrophobicContact SD-CB 4.17Å; K2-H52 PolarHBondContact O-N 3.32Å; S3-H52 CarbonylContact C-O 3.59Å; S3-H52 WeakPolarHBondContact CA-O 3.43Å; V4-H52 PolarHBondContact N-O 2.76Å; E40-H52 IonicContact OE2-CD2 3.97Å; E40-H52 IonicContact OE2-CE1 3.49Å; E40-H52 PolarHBondContact OE2-CE1 3.4Å; E40-H52 IonicContact OE2-NE2 2.9Å; E40-H52 PolarHBondContact OE2-NE2 2.66Å
53F98.3Very high95.3Very high5 Ų541.7 Ų41.72%0.02223%0.226CC..EExtended strand (participates in β ladder)trans-89.4135.9176.9-76.3-67.3000110.9V4 M6 E40 W41 F45 V51 M163V4-F53 HydrophobicContact CB-CD1 3.68Å; V4-F53 HydrophobicContact CB-CE1 3.84Å; V4-F53 HydrophobicContact CG1-CD1 4.02Å; V4-F53 HydrophobicContact CG1-CE1 3.97Å; V4-F53 HydrophobicContact CG2-CD1 4.23Å; V4-F53 HydrophobicContact CG2-CE1 3.98Å; M6-F53 HydrophobicContact CE-CB 3.52Å; M6-F53 HydrophobicContact CE-CD1 3.29Å; M6-F53 HydrophobicContact CE-CE1 4.22Å; M6-F53 HydrophobicContact CE-CG 3.67Å; M6-F53 HydrophobicContact CG-CD1 4.44Å; M6-F53 HydrophobicContact SD-CD1 3.7Å; M6-F53 HydrophobicContact SD-CE1 4.1Å; E40-F53 VanDerWaalsContact CA-O 3.26Å; E40-F53 WeakPolarHBondContact CA-O 3.37Å; W41-F53 AromaticContact CD1-CD2 3.91Å; W41-F53 HydrophobicContact CD2-CB 3.67Å; W41-F53 HydrophobicContact CD2-CD2 4.42Å; W41-F53 HydrophobicContact CD2-CG 4.39Å; W41-F53 AromaticContact CE2-CD2 3.7Å; W41-F53 AromaticContact CE2-CG 3.78Å; W41-F53 HydrophobicContact CE3-CB 3.95Å; W41-F53 HydrophobicContact CG-CB 4.26Å; W41-F53 HydrophobicContact CH2-CB 4.09Å; W41-F53 HydrophobicContact CZ2-CB 3.76Å; W41-F53 HydrophobicContact CZ2-CD2 4.13Å; W41-F53 AromaticContact CZ2-CG 3.89Å; W41-F53 HydrophobicContact CZ2-CG 3.89Å; W41-F53 HydrophobicContact CZ3-CB 4.15Å; W41-F53 PolarHBondContact N-O 3.47Å; W41-F53 AromaticContact NE1-CD2 3.31Å; W41-F53 VanDerWaalsContact NE1-CD2 3.31Å; W41-F53 AromaticContact NE1-CG 3.9Å; W41-F53 PolarHBondContact O-N 3.13Å; F45-F53 HydrophobicContact CB-CE1 4.35Å; F45-F53 HydrophobicContact CB-CZ 3.82Å; F45-F53 AromaticContact CD2-CE1 3.98Å; F45-F53 HydrophobicContact CD2-CE1 3.98Å; F45-F53 AromaticContact CD2-CZ 3.99Å; F45-F53 HydrophobicContact CD2-CZ 3.99Å; F45-F53 HydrophobicContact CG-CE1 4.42Å; F45-F53 HydrophobicContact CG-CZ 4.3Å; V51-F53 HydrophobicContact CG2-CD1 4.47Å; V51-F53 HydrophobicContact CG2-CD2 4.11Å; V51-F53 HydrophobicContact CG2-CE1 4.07Å; V51-F53 HydrophobicContact CG2-CE2 3.69Å; V51-F53 HydrophobicContact CG2-CG 4.5Å; V51-F53 HydrophobicContact CG2-CZ 3.68Å; F53-M163 HydrophobicContact CE1-CE 3.48Å; F53-M163 VanDerWaalsContact CE1-CE 3.48Å; F53-M163 HydrophobicContact CZ-CE 3.48Å; F53-M163 VanDerWaalsContact CZ-CE 3.48Å
54R97.6Very high95.2Very high56 Ų5643 Ų4321%0.21123%0.232CC..EExtended strand (participates in β ladder)trans-126.8102.6169.9-63-171.3-177.5150.45.9109.6V4 L5 M6 T38 E40 E105 R107V4-R54 PolarHBondContact O-N 3.47Å; L5-R54 CarbonylContact C-O 3.56Å; L5-R54 HydrophobicContact CD1-CB 4.47Å; M6-R54 PolarHBondContact N-O 2.92Å; T38-R54 HydrophobicContact CG2-CB 4.1Å; E40-R54 HydrophobicContact CG-CG 4.1Å; R54-E105 PolarHBondContact NH1-O 3.16Å; R54-R107 PolarHBondContact NH1-O 2.93Å
55M98.2Very high95.2Very high0 Ų038.3 Ų38.30%021%0.207CC..EExtended strand (participates in β ladder)trans-92.2125.6174.6-179.581.873.400110.5M6 A14 L17 A18 L21 T38 H39 W41 W115M6-M55 HydrophobicContact CB-CB 4.3Å; M6-M55 HydrophobicContact CB-CE 4.02Å; M6-M55 HydrophobicContact CB-SD 3.54Å; M6-M55 VanDerWaalsContact CB-SD 3.54Å; M6-M55 HydrophobicContact CE-CB 4.14Å; M6-M55 HydrophobicContact CE-CE 4.05Å; M6-M55 CarbonylContact O-C 3.53Å; M6-M55 WeakPolarHBondContact O-CA 3.4Å; M6-M55 HydrophobicContact SD-CE 4.04Å; A14-M55 HydrophobicContact CB-CG 3.99Å; L17-M55 HydrophobicContact CB-CE 3.6Å; L17-M55 HydrophobicContact CB-SD 4.38Å; L17-M55 HydrophobicContact CD1-CE 4.42Å; A18-M55 HydrophobicContact CB-CB 4.08Å; A18-M55 HydrophobicContact CB-CG 4.1Å; L21-M55 HydrophobicContact CD1-CE 3.73Å; T38-M55 CarbonylContact C-O 3.17Å; T38-M55 VanDerWaalsContact CA-O 3.32Å; T38-M55 WeakPolarHBondContact CA-O 3.47Å; H39-M55 HydrophobicContact CB-CB 4.27Å; H39-M55 PolarHBondContact N-O 2.84Å; H39-M55 PolarHBondContact O-N 2.8Å; W41-M55 HydrophobicContact CH2-CB 4.14Å; W41-M55 HydrophobicContact CH2-CE 4.24Å; W41-M55 HydrophobicContact CZ3-CB 3.84Å; M55-W115 HydrophobicContact CE-CG 4.41Å; M55-W115 HydrophobicContact SD-CG 4.47Å
56T97.8Very high95.2Very high0 Ų040.1 Ų40.10%022%0.216CC..EExtended strand (participates in β ladder)trans-135.5-168.1169.8-163.90000110.7L5 M6 V7 A8 A14 S37 F101 L102L5-T56 HydrophobicContact CD1-CG2 4.1Å; M6-T56 PolarHBondContact O-N 3.32Å; V7-T56 WeakPolarHBondContact CA-O 3.47Å; V7-T56 HydrophobicContact CG2-CG2 4.3Å; A8-T56 PolarHBondContact N-O 2.83Å; A14-T56 WeakPolarHBondContact CB-O 3.39Å; S37-T56 PolarHBondContact O-OG1 2.87Å; T56-F101 HydrophobicContact CG2-CE1 4.19Å; T56-F101 HydrophobicContact CG2-CZ 4.45Å; T56-F101 WeakPolarHBondContact OG1-CE1 3.38Å; T56-F101 WeakPolarHBondContact OG1-CZ 3.35Å; T56-L102 HydrophobicContact CG2-CD2 4.45Å
57S97.6Very high95.5Very high0 Ų033.3 Ų33.30%019%0.191CC..EExtended strand (participates in β ladder)trans-147.8162.7-178.953.60000112.9A8 K10 P11 C36A8-S57 CarbonylContact O-C 3.55Å; A8-S57 WeakPolarHBondContact O-CA 3.49Å; A8-S57 WeakPolarHBondContact O-CB 3.46Å; K10-S57 VanDerWaalsContact C-CB 3.48Å; K10-S57 WeakPolarHBondContact O-CB 3.38Å; P11-S57 VanDerWaalsContact CA-OG 3.23Å; P11-S57 WeakPolarHBondContact CA-OG 3.37Å; C36-S57 PolarHBondContact SG-O 3.2Å
58V96.8Very high95.7Very high0 Ų027.8 Ų27.80%016%0.161CC..  trans-93.6-167.9158.8-61.20000110.2V7 A8 E9 P11 G60 V62 M98 L102 L116 I125 V129V7-V58 HydrophobicContact CG1-CG1 4.07Å; A8-V58 PolarHBondContact O-N 3.49Å; E9-V58 CarbonylContact O-C 3.58Å; E9-V58 WeakPolarHBondContact O-CG2 3.36Å; P11-V58 WeakPolarHBondContact CD-O 3.11Å; V58-G60 VanDerWaalsContact CG2-O 3.28Å; V58-G60 WeakPolarHBondContact CG2-O 3.21Å; V58-V62 HydrophobicContact CB-CG2 3.95Å; V58-V62 HydrophobicContact CG1-CG2 3.51Å; V58-V62 HydrophobicContact CG2-CG2 4.49Å; V58-M98 HydrophobicContact CB-CE 4.5Å; V58-M98 HydrophobicContact CB-CG 4.45Å; V58-M98 HydrophobicContact CB-SD 4.32Å; V58-M98 HydrophobicContact CG1-CG 4.15Å; V58-M98 HydrophobicContact CG1-SD 4.14Å; V58-L102 HydrophobicContact CG1-CD1 3.88Å; V58-L102 HydrophobicContact CG1-CD2 4.1Å; V58-L102 HydrophobicContact CG1-CG 4.42Å; V58-L116 HydrophobicContact CG2-CD2 4.36Å; V58-I125 HydrophobicContact CG2-CG2 3.94Å; V58-V129 HydrophobicContact CG1-CG2 3.88Å
59C94.9Very high95.6Very high51 Ų5129.8 Ų29.835%0.34517%0.169SC..  trans-128.659.4176.1-67.50000109.4E9 C36 Q96 M98E9-C59 PolarHBondContact O-N 2.84Å; C36-C59 VanDerWaalsContact SG-SG 3.7Å; C59-Q96 PolarHBondContact SG-NE2 3.07Å; C59-Q96 VanDerWaalsContact SG-NE2 3.35Å; C59-M98 HydrophobicContact CB-CE 4.23Å
60G94.1Very high95.5Very high14 Ų1435 Ų3514%0.14418%0.182CC..SBendtrans72.8-151.5-163.100000111.6E9 V58 V62E9-G60 PolarHBondContact O-N 2.83Å; V58-G60 VanDerWaalsContact CG2-O 3.28Å; V58-G60 WeakPolarHBondContact CG2-O 3.21Å; G60-V62 PolarHBondContact O-N 3.4Å
61H95.9Very high95.3Very high49 Ų4934 Ų3423%0.22717%0.169CC..  trans-51122.3178.3-83.4-78.7000113.2M63 T92 E121 N124 E128H61-M63 VanDerWaalsContact C-N 3.34Å; H61-T92 WeakPolarHBondContact O-CB 3.49Å; H61-T92 PolarHBondContact O-OG1 3.3Å; H61-T92 VanDerWaalsContact O-OG1 3.07Å; H61-E121 IonicContact CE1-OE2 3.78Å; H61-E121 IonicContact NE2-OE2 3.91Å; H61-E121 PolarHBondContact NE2-OE2 3.2Å; H61-E121 VanDerWaalsContact NE2-OE2 3.13Å; H61-N124 PolarHBondContact CE1-OD1 3.01Å; H61-N124 VanDerWaalsContact CE1-OD1 3.3Å; H61-E128 IonicContact CE1-OE1 3.14Å; H61-E128 IonicContact CG-OE1 2.68Å; H61-E128 IonicContact ND1-OE1 3.8Å; H61-E128 PolarHBondContact ND1-OE1 3.48Å; H61-E128 IonicContact ND1-OE2 2.92Å
62V95.9Very high94.8Very high5 Ų536.2 Ų36.23%0.0318%0.181CC..SBendtrans-70.5-38.3171.6-177.70000109.5V58 G60 E91 T92 M98 R99 L102 I125 E128V58-V62 HydrophobicContact CB-CG2 3.95Å; V58-V62 HydrophobicContact CG1-CG2 3.51Å; V58-V62 HydrophobicContact CG2-CG2 4.49Å; G60-V62 PolarHBondContact O-N 3.4Å; V62-E91 WeakPolarHBondContact O-CA 3.26Å; V62-T92 PolarHBondContact O-N 3.39Å; V62-M98 HydrophobicContact CB-CG 4.46Å; V62-M98 HydrophobicContact CG1-CB 4.07Å; V62-M98 HydrophobicContact CG1-CG 3.95Å; V62-M98 HydrophobicContact CG2-CG 3.99Å; V62-R99 HydrophobicContact CG1-CG 3.79Å; V62-L102 HydrophobicContact CG2-CD1 4.35Å; V62-I125 HydrophobicContact CG2-CG2 4.48Å; V62-E128 WeakPolarHBondContact CA-OE2 3.44Å; V62-E128 HydrophobicContact CB-CB 4.16Å; V62-E128 WeakPolarHBondContact CB-OE2 3.39Å; V62-E128 HydrophobicContact CG2-CB 4.41Å; V62-E128 PolarHBondContact N-OE2 2.78Å
63M95.7Very high94.2Very high18 Ų1836.6 Ų36.69%0.08919%0.187CC..EExtended strand (participates in β ladder)trans-117.3149.8-174.7-54.4-61.1-7700112.1H61 K89 K90 E91 T92 R99 E128H61-M63 VanDerWaalsContact C-N 3.34Å; M63-K89 HydrophobicContact CB-CB 4.26Å; M63-K89 HydrophobicContact CB-CD 4.32Å; M63-K89 VanDerWaalsContact CE-C 3.48Å; M63-K89 HydrophobicContact CE-CB 3.76Å; M63-K89 VanDerWaalsContact CE-O 3.29Å; M63-K89 WeakPolarHBondContact CE-O 3.41Å; M63-K90 CarbonylContact C-O 3.6Å; M63-K90 VanDerWaalsContact CA-O 3.22Å; M63-K90 WeakPolarHBondContact CA-O 3.37Å; M63-E91 HydrophobicContact SD-CG 4.16Å; M63-T92 PolarHBondContact O-OG1 3.15Å; M63-T92 VanDerWaalsContact O-OG1 3.11Å; M63-R99 HydrophobicContact SD-CG 4.23Å; M63-E128 HydrophobicContact CB-CG 4.25Å; M63-E128 HydrophobicContact CG-CB 4.37Å; M63-E128 HydrophobicContact CG-CG 4.17Å; M63-E128 PolarHBondContact N-OE2 2.91Å
64S94.6Very high93.6Very high47 Ų4741.9 Ų41.933%0.32921%0.208SC..EExtended strand (participates in β ladder)trans-127.3142.8168.362.80000109.6K89 K90 T92S64-K89 WeakPolarHBondContact O-CA 3.26Å; S64-K90 PolarHBondContact N-O 2.94Å; S64-K90 PolarHBondContact O-N 3.18Å; S64-T92 PolarHBondContact N-OG1 2.87Å
65L95.4Very high92.9Very high31 Ų3144.7 Ų44.716%0.16223%0.226CC..EExtended strand (participates in β ladder)trans-81.1132.7176-166.371.9000110.1T87 K89 E182 L185L65-T87 HydrophobicContact CD2-CG2 4.49Å; L65-T87 HydrophobicContact CG-CG2 4.48Å; L65-K89 HydrophobicContact CD1-CG 3.95Å; L65-E182 VanDerWaalsContact CD2-CA 3.47Å; L65-E182 HydrophobicContact CD2-CB 3.59Å; L65-E182 HydrophobicContact CD2-CG 3.96Å; L65-L185 HydrophobicContact CB-CD2 4.42Å; L65-L185 HydrophobicContact CD2-CD2 4.07Å; L65-L185 HydrophobicContact CG-CD2 4Å
66D95.3Very high92.2Very high43 Ų4353.5 Ų53.523%0.2327%0.265CS..EExtended strand (participates in β ladder)trans-143.6167.4176.2-172.821.2000109.8N72 T87 E88 K90D66-N72 PolarHBondContact OD1-ND2 2.98Å; D66-N72 PolarHBondContact OD1-OD1 3.09Å; D66-N72 PolarHBondContact OD2-ND2 3.42Å; D66-T87 CarbonylContact O-C 3.5Å; D66-T87 WeakPolarHBondContact O-CA 3.34Å; D66-E88 PolarHBondContact N-O 3.09Å; D66-E88 PolarHBondContact O-N 2.99Å; D66-E88 VanDerWaalsContact O-O 3.12Å; D66-K90 HydrophobicContact CB-CD 4.26Å; D66-K90 IonicContact OD2-NZ 2.81Å; D66-K90 PolarHBondContact OD2-NZ 3.42Å
67F94.9Very high91.8Very high0 Ų054 Ų540%027%0.268CS..EExtended strand (participates in β ladder)trans-76.5157.7170.3-52.7-70.8000111.1K69 N72 L82 C85 T87 K90 L185 R186 C189F67-K69 PolarHBondContact O-N 3.41Å; F67-N72 WeakPolarHBondContact CB-OD1 3.39Å; F67-N72 PolarHBondContact O-ND2 2.92Å; F67-L82 HydrophobicContact CD1-CD2 4.36Å; F67-L82 HydrophobicContact CD2-CD2 4.18Å; F67-L82 HydrophobicContact CE1-CB 4.27Å; F67-L82 HydrophobicContact CE1-CD2 4.22Å; F67-L82 HydrophobicContact CE2-CD1 4.25Å; F67-L82 HydrophobicContact CE2-CD2 4.05Å; F67-L82 HydrophobicContact CG-CD2 4.31Å; F67-L82 HydrophobicContact CZ-CB 4.04Å; F67-L82 HydrophobicContact CZ-CD1 4.31Å; F67-L82 HydrophobicContact CZ-CD2 4.06Å; F67-L82 HydrophobicContact CZ-CG 4.36Å; F67-C85 WeakPolarHBondContact CD1-SG 3.37Å; F67-C85 VanDerWaalsContact CE1-SG 3.56Å; F67-T87 HydrophobicContact CD1-CG2 3.98Å; F67-T87 HydrophobicContact CE1-CG2 4.31Å; F67-K90 PolarHBondContact O-NZ 2.81Å; F67-K90 VanDerWaalsContact O-NZ 3.08Å; F67-L185 HydrophobicContact CD1-CD2 4.47Å; F67-L185 HydrophobicContact CE1-CD2 4.24Å; F67-L185 HydrophobicContact CE1-CG 4.23Å; F67-L185 HydrophobicContact CE2-CD1 3.94Å; F67-L185 HydrophobicContact CE2-CD2 4.41Å; F67-L185 HydrophobicContact CE2-CG 3.96Å; F67-L185 HydrophobicContact CZ-CD1 4.24Å; F67-L185 HydrophobicContact CZ-CD2 4.22Å; F67-L185 HydrophobicContact CZ-CG 3.76Å; F67-R186 HydrophobicContact CE1-CG 4.11Å; F67-C189 HydrophobicContact CE2-CB 3.74Å; F67-C189 HydrophobicContact CZ-CB 4.06Å
68N92.5Very high91.7Very high53 Ų5358 Ų5828%0.28329%0.289SS..  trans-54.6140.6168.6-76.77.5000110.4K70 Y71 A86 E88N68-K70 PolarHBondContact O-N 3.45Å; N68-Y71 HydrophobicContact CB-CD2 4.14Å; N68-Y71 PolarHBondContact O-N 2.95Å; N68-A86 PolarHBondContact N-O 2.94Å; N68-E88 VanDerWaalsContact CA-OE1 3.3Å; N68-E88 WeakPolarHBondContact CA-OE1 3.41Å; N68-E88 WeakPolarHBondContact OD1-CB 3.39Å; N68-E88 WeakPolarHBondContact OD1-CG 3.32Å
69K89.4Confident91.6Very high121 Ų12158.5 Ų58.553%0.52629%0.293SS..G310 helixtrans-43.4-36.2-174.2-172.5178.2179.2-177.40115.1F67 Y71 N72 E88 G820F67-K69 PolarHBondContact O-N 3.41Å; K69-Y71 VanDerWaalsContact C-N 3.25Å; K69-Y71 PolarHBondContact O-N 3.39Å; K69-N72 PolarHBondContact O-N 3.09Å; K69-E88 PolarHBondContact N-OE1 2.9Å; K69-G820 PolarHBondContact NZ-O 2.79Å
70K89.6Confident91.7Very high143 Ų14358.4 Ų58.462%0.62229%0.288SS*.G310 helixtrans-61.6-29.4178.373.6-179.5-168.1172.80113.9N68N68-K70 PolarHBondContact O-N 3.45Å
71Y91.3Very high91.8Very high38 Ų3862.4 Ų62.415%0.14930%0.303CS..G310 helixtrans-91.7-3.4-179.5-61.2-66.5000113.5N68 K69 V77 C85 R193N68-Y71 HydrophobicContact CB-CD2 4.14Å; N68-Y71 PolarHBondContact O-N 2.95Å; K69-Y71 VanDerWaalsContact C-N 3.25Å; K69-Y71 PolarHBondContact O-N 3.39Å; Y71-V77 HydrophobicContact CD1-CG1 4.09Å; Y71-V77 HydrophobicContact CD1-CG2 4.45Å; Y71-C85 HydrophobicContact CD1-CB 4.05Å; Y71-C85 HydrophobicContact CD2-CB 3.67Å; Y71-C85 HydrophobicContact CE1-CB 3.87Å; Y71-C85 HydrophobicContact CE2-CB 3.44Å; Y71-C85 VanDerWaalsContact CE2-CB 3.44Å; Y71-C85 HydrophobicContact CG-CB 3.95Å; Y71-R193 PolarHBondContact O-NH1 2.79Å
72N86.8Confident91.8Very high48 Ų4860.1 Ų60.126%0.25729%0.292SS..  trans-85.8-4.5-179.4-76.1-11.2000114.3D66 F67 K69 W74D66-N72 PolarHBondContact OD1-ND2 2.98Å; D66-N72 PolarHBondContact OD1-OD1 3.09Å; D66-N72 PolarHBondContact OD2-ND2 3.42Å; F67-N72 WeakPolarHBondContact CB-OD1 3.39Å; F67-N72 PolarHBondContact O-ND2 2.92Å; K69-N72 PolarHBondContact O-N 3.09Å; N72-W74 PolarHBondContact O-N 3.41Å
73C85.7Confident91.9Very high46 Ų4660.1 Ų60.131%0.31129%0.292SS..  trans-85.3107173-174.10000109.6D75 K76 V77C73-D75 VanDerWaalsContact C-N 3.26Å; C73-D75 PolarHBondContact O-N 2.83Å; C73-K76 HydrophobicContact CB-CB 4.27Å; C73-K76 PolarHBondContact O-N 2.96Å; C73-V77 WeakPolarHBondContact O-CB 3.44Å; C73-V77 WeakPolarHBondContact O-CG2 3.38Å; C73-V77 PolarHBondContact O-N 3.08Å
74W86.5Confident91.8Very high117 Ų11762.7 Ų62.744%0.44332%0.323SS..THydrogen-bonded Turntrans-61.9-34.8-175.3-71.238.1000112.2N72 T192 R193 T196N72-W74 PolarHBondContact O-N 3.41Å; W74-T192 HydrophobicContact CH2-CG2 4.03Å; W74-T192 HydrophobicContact CZ3-CG2 4.38Å; W74-R193 VanDerWaalsContact CD1-CZ 3.48Å; W74-R193 HydrophobicContact CD2-CB 4.46Å; W74-R193 HydrophobicContact CD2-CG 3.56Å; W74-R193 HydrophobicContact CE3-CB 4.18Å; W74-R193 HydrophobicContact CE3-CG 3.6Å; W74-R193 HydrophobicContact CG-CG 4.14Å; W74-R193 HydrophobicContact CH2-CG 3.92Å; W74-R193 HydrophobicContact CZ2-CG 3.9Å; W74-R193 HydrophobicContact CZ3-CB 4.42Å; W74-R193 HydrophobicContact CZ3-CG 3.78Å; W74-T196 HydrophobicContact CZ3-CG2 4.26Å
75D81.1Confident91.8Very high114 Ų11460.6 Ų60.661%0.6131%0.308SS*.THydrogen-bonded Turntrans-73.9-32.1-175.4-53.8-39.7000113.3C73 K197C73-D75 VanDerWaalsContact C-N 3.26Å; C73-D75 PolarHBondContact O-N 2.83Å; D75-K197 PolarHBondContact O-NZ 3.44Å
76K85.3Confident91.7Very high185 Ų18561.6 Ų61.680%0.80432%0.321SS*.THydrogen-bonded Turntrans-97.8-8.5-170.1-65.5-176-177.9-173.90114.3C73C73-K76 HydrophobicContact CB-CB 4.27Å; C73-K76 PolarHBondContact O-N 2.96Å
77V89.6Confident91.7Very high10 Ų1061.4 Ų61.46%0.06132%0.321CS..SBendtrans-113.3123.6-172177.60000108.5Y71 C73 P79 L82Y71-V77 HydrophobicContact CD1-CG1 4.09Å; Y71-V77 HydrophobicContact CD1-CG2 4.45Å; C73-V77 WeakPolarHBondContact O-CB 3.44Å; C73-V77 WeakPolarHBondContact O-CG2 3.38Å; C73-V77 PolarHBondContact O-N 3.08Å; V77-P79 WeakPolarHBondContact O-CD 3.43Å; V77-L82 HydrophobicContact CG1-CD2 4.06Å
78D93.6Very high91.7Very high85 Ų8564.7 Ų64.746%0.45534%0.337SS..  trans-65.6120.9167.4-176.2-22.5000108.6I80 Q81D78-I80 HydrophobicContact CB-CG2 4.43Å; D78-I80 PolarHBondContact O-N 2.86Å; D78-I80 WeakPolarHBondContact OD1-CG2 3.04Å; D78-I80 PolarHBondContact OD1-N 2.63Å; D78-Q81 HydrophobicContact CB-CG 4.22Å; D78-Q81 WeakPolarHBondContact O-CB 3.44Å; D78-Q81 PolarHBondContact O-N 3.02Å
79P95.8Very high91.7Very high11 Ų1166 Ų667%0.07134%0.34CS..G310 helixtrans-55.4-26-177.3-25.634.7000114.5V77 Q81 L82 A190 R193 F194 F588V77-P79 WeakPolarHBondContact O-CD 3.43Å; P79-Q81 PolarHBondContact O-N 3.04Å; P79-L82 WeakPolarHBondContact O-CB 3.43Å; P79-L82 WeakPolarHBondContact O-CG 3.18Å; P79-L82 PolarHBondContact O-N 2.93Å; P79-L82 VanDerWaalsContact O-N 3.09Å; P79-A190 WeakPolarHBondContact CB-O 3.46Å; P79-R193 HydrophobicContact CG-CB 4.26Å; P79-F194 HydrophobicContact CB-CB 4.13Å; P79-F194 HydrophobicContact CG-CB 3.97Å; P79-F588 HydrophobicContact CB-CZ 3.9Å
80I96.5Very high91.9Very high49 Ų4963.1 Ų63.125%0.25133%0.327SS..G310 helixtrans-62.9-27.2176.8-159.8172.2000112.6D78 L82 F83 F588 M589D78-I80 HydrophobicContact CB-CG2 4.43Å; D78-I80 PolarHBondContact O-N 2.86Å; D78-I80 WeakPolarHBondContact OD1-CG2 3.04Å; D78-I80 PolarHBondContact OD1-N 2.63Å; I80-L82 PolarHBondContact O-N 2.8Å; I80-F83 PolarHBondContact O-N 3.09Å; I80-F588 HydrophobicContact CB-CD1 4.38Å; I80-F588 HydrophobicContact CB-CE1 3.89Å; I80-F588 HydrophobicContact CG1-CD1 4.17Å; I80-F588 HydrophobicContact CG1-CE1 4.18Å; I80-M589 HydrophobicContact CD1-CG 3.61Å; I80-M589 HydrophobicContact CD1-SD 4.06Å
81Q96.4Very high92.2Very high98 Ų9858.2 Ų58.246%0.45831%0.307SS..G310 helixtrans-66.8-23.1178.9-61.5-17822.300111.6D78 P79 F83 G84 C85D78-Q81 HydrophobicContact CB-CG 4.22Å; D78-Q81 WeakPolarHBondContact O-CB 3.44Å; D78-Q81 PolarHBondContact O-N 3.02Å; P79-Q81 PolarHBondContact O-N 3.04Å; Q81-F83 PolarHBondContact O-N 2.72Å; Q81-G84 PolarHBondContact O-N 3.45Å; Q81-G84 VanDerWaalsContact O-N 3.1Å; Q81-C85 VanDerWaalsContact O-CB 3.3Å; Q81-C85 WeakPolarHBondContact O-CB 3.39Å; Q81-C85 PolarHBondContact O-N 3.42Å
82L96.9Very high92.3Very high0 Ų059.9 Ų59.90%032%0.321CS..G310 helixtrans-65.6-23.2-177-60.2-178000113.2F67 V77 P79 I80 G84 C85 R186 C189 A190F67-L82 HydrophobicContact CD1-CD2 4.36Å; F67-L82 HydrophobicContact CD2-CD2 4.18Å; F67-L82 HydrophobicContact CE1-CB 4.27Å; F67-L82 HydrophobicContact CE1-CD2 4.22Å; F67-L82 HydrophobicContact CE2-CD1 4.25Å; F67-L82 HydrophobicContact CE2-CD2 4.05Å; F67-L82 HydrophobicContact CG-CD2 4.31Å; F67-L82 HydrophobicContact CZ-CB 4.04Å; F67-L82 HydrophobicContact CZ-CD1 4.31Å; F67-L82 HydrophobicContact CZ-CD2 4.06Å; F67-L82 HydrophobicContact CZ-CG 4.36Å; V77-L82 HydrophobicContact CG1-CD2 4.06Å; P79-L82 WeakPolarHBondContact O-CB 3.43Å; P79-L82 WeakPolarHBondContact O-CG 3.18Å; P79-L82 PolarHBondContact O-N 2.93Å; P79-L82 VanDerWaalsContact O-N 3.09Å; I80-L82 PolarHBondContact O-N 2.8Å; L82-G84 VanDerWaalsContact C-N 3.33Å; L82-G84 PolarHBondContact O-N 2.92Å; L82-C85 PolarHBondContact O-SG 3.28Å; L82-R186 PolarHBondContact O-NH1 3.23Å; L82-C189 HydrophobicContact CD1-CB 3.87Å; L82-A190 HydrophobicContact CB-CB 4.39Å
83F96.8Very high92.5Very high6 Ų660.8 Ų60.83%0.02633%0.326CS..G310 helixtrans-69-27.9174.4-71.4-82.8000113.6I80 Q81 I187 A190 F191 I581 F584 K585 F588I80-F83 PolarHBondContact O-N 3.09Å; Q81-F83 PolarHBondContact O-N 2.72Å; F83-I187 HydrophobicContact CE1-CG1 4.31Å; F83-A190 HydrophobicContact CD2-CB 4.08Å; F83-A190 HydrophobicContact CE2-CB 3.36Å; F83-A190 HydrophobicContact CZ-CB 3.72Å; F83-F191 HydrophobicContact CZ-CE2 4.28Å; F83-I581 HydrophobicContact CB-CG2 4.05Å; F83-I581 HydrophobicContact CD1-CG2 4.09Å; F83-I581 VanDerWaalsContact O-CG2 3.26Å; F83-I581 WeakPolarHBondContact O-CG2 3.44Å; F83-F584 HydrophobicContact CE1-CB 3.88Å; F83-K585 HydrophobicContact CB-CB 4.25Å; F83-K585 HydrophobicContact CB-CD 4.13Å; F83-K585 HydrophobicContact CB-CG 4.23Å; F83-K585 HydrophobicContact CD1-CB 3.86Å; F83-K585 HydrophobicContact CD2-CB 4.27Å; F83-K585 HydrophobicContact CD2-CG 4.18Å; F83-K585 HydrophobicContact CE1-CB 4.27Å; F83-K585 HydrophobicContact CG-CB 3.86Å; F83-K585 HydrophobicContact CG-CG 4.08Å; F83-F588 HydrophobicContact CE2-CB 3.64Å; F83-F588 AromaticContact CE2-CD1 3.73Å; F83-F588 HydrophobicContact CE2-CD1 3.73Å; F83-F588 HydrophobicContact CE2-CD2 4.11Å; F83-F588 HydrophobicContact CE2-CE1 4.46Å; F83-F588 AromaticContact CE2-CG 3.53Å; F83-F588 HydrophobicContact CE2-CG 3.53Å; F83-F588 HydrophobicContact CZ-CB 3.63Å; F83-F588 HydrophobicContact CZ-CD2 4.39Å; F83-F588 AromaticContact CZ-CG 3.95Å; F83-F588 HydrophobicContact CZ-CG 3.95Å
84G94.1Very high92.8Very high71 Ų7161.8 Ų61.873%0.73233%0.332SS*.THydrogen-bonded Turntrans-117.6-3.3-176.400000114.8Q81 L82Q81-G84 PolarHBondContact O-N 3.45Å; Q81-G84 VanDerWaalsContact O-N 3.1Å; L82-G84 VanDerWaalsContact C-N 3.33Å; L82-G84 PolarHBondContact O-N 2.92Å
85C93.7Very high92.9Very high4 Ų464.3 Ų64.33%0.02735%0.346CS..SBendtrans-73.8157.1-176.174.30000112.9F67 Y71 Q81 L82 R186F67-C85 WeakPolarHBondContact CD1-SG 3.37Å; F67-C85 VanDerWaalsContact CE1-SG 3.56Å; Y71-C85 HydrophobicContact CD1-CB 4.05Å; Y71-C85 HydrophobicContact CD2-CB 3.67Å; Y71-C85 HydrophobicContact CE1-CB 3.87Å; Y71-C85 HydrophobicContact CE2-CB 3.44Å; Y71-C85 VanDerWaalsContact CE2-CB 3.44Å; Y71-C85 HydrophobicContact CG-CB 3.95Å; Q81-C85 VanDerWaalsContact O-CB 3.3Å; Q81-C85 WeakPolarHBondContact O-CB 3.39Å; Q81-C85 PolarHBondContact O-N 3.42Å; L82-C85 PolarHBondContact O-SG 3.28Å; C85-R186 VanDerWaalsContact O-CZ 3.31Å; C85-R186 PolarHBondContact O-NH1 3.27Å; C85-R186 PolarHBondContact O-NH2 3.33Å
86A93.7Very high93.3Very high52 Ų5261.1 Ų61.143%0.4333%0.327SS..PPolyproline II helixtrans-71.3136.7175.500000111.6N68N68-A86 PolarHBondContact N-O 2.94Å
87T94.7Very high93.6Very high38 Ų3856.5 Ų56.523%0.23331%0.311CS..EExtended strand (participates in β ladder)trans-103156.7172.347.80000110.3L65 D66 F67 L185L65-T87 HydrophobicContact CD2-CG2 4.49Å; L65-T87 HydrophobicContact CG-CG2 4.48Å; D66-T87 CarbonylContact O-C 3.5Å; D66-T87 WeakPolarHBondContact O-CA 3.34Å; F67-T87 HydrophobicContact CD1-CG2 3.98Å; F67-T87 HydrophobicContact CE1-CG2 4.31Å; T87-L185 HydrophobicContact CG2-CD2 4.32Å
88E94.7Very high93.9Very high69 Ų6956.3 Ų56.332%0.32231%0.31SS..EExtended strand (participates in β ladder)trans-137.6139.6174.856.3-179.5162.600109.7D66 N68 K69 K90D66-E88 PolarHBondContact N-O 3.09Å; D66-E88 PolarHBondContact O-N 2.99Å; D66-E88 VanDerWaalsContact O-O 3.12Å; N68-E88 VanDerWaalsContact CA-OE1 3.3Å; N68-E88 WeakPolarHBondContact CA-OE1 3.41Å; N68-E88 WeakPolarHBondContact OD1-CB 3.39Å; N68-E88 WeakPolarHBondContact OD1-CG 3.32Å; K69-E88 PolarHBondContact N-OE1 2.9Å; E88-K90 HydrophobicContact CG-CG 4.3Å; E88-K90 WeakPolarHBondContact OE1-CE 3.48Å; E88-K90 IonicContact OE1-NZ 2.86Å; E88-K90 PolarHBondContact OE1-NZ 3.29Å
89K93.8Very high93.9Very high81 Ų8156.4 Ų56.435%0.35230%0.304SS..EExtended strand (participates in β ladder)trans-80.5125.8168.1-72.8-166.4176.2-171.40108.9M63 S64 L65 D178M63-K89 HydrophobicContact CB-CB 4.26Å; M63-K89 HydrophobicContact CB-CD 4.32Å; M63-K89 VanDerWaalsContact CE-C 3.48Å; M63-K89 HydrophobicContact CE-CB 3.76Å; M63-K89 VanDerWaalsContact CE-O 3.29Å; M63-K89 WeakPolarHBondContact CE-O 3.41Å; S64-K89 WeakPolarHBondContact O-CA 3.26Å; L65-K89 HydrophobicContact CD1-CG 3.95Å; K89-D178 WeakPolarHBondContact CE-OD1 3.04Å; K89-D178 VanDerWaalsContact NZ-CG 3.25Å; K89-D178 IonicContact NZ-OD1 2.68Å; K89-D178 PolarHBondContact NZ-OD1 3.41Å; K89-D178 IonicContact NZ-OD2 3.42Å; K89-D178 PolarHBondContact NZ-OD2 2.92Å
90K93.9Very high93.8Very high60 Ų6063.5 Ų63.526%0.26133%0.334SS..EExtended strand (participates in β ladder)trans-117.1158.3175.9-69.6175.3-179.9138.40110.2M63 S64 D66 F67 E88 T92M63-K90 CarbonylContact C-O 3.6Å; M63-K90 VanDerWaalsContact CA-O 3.22Å; M63-K90 WeakPolarHBondContact CA-O 3.37Å; S64-K90 PolarHBondContact N-O 2.94Å; S64-K90 PolarHBondContact O-N 3.18Å; D66-K90 HydrophobicContact CB-CD 4.26Å; D66-K90 IonicContact OD2-NZ 2.81Å; D66-K90 PolarHBondContact OD2-NZ 3.42Å; F67-K90 PolarHBondContact O-NZ 2.81Å; F67-K90 VanDerWaalsContact O-NZ 3.08Å; E88-K90 HydrophobicContact CG-CG 4.3Å; E88-K90 WeakPolarHBondContact OE1-CE 3.48Å; E88-K90 IonicContact OE1-NZ 2.86Å; E88-K90 PolarHBondContact OE1-NZ 3.29Å; K90-T92 PolarHBondContact O-N 3.1Å
91E94.3Very high93.7Very high41 Ų4161.9 Ų61.919%0.19233%0.325CS..EExtended strand (participates in β ladder)trans-61.8127.6171.9-71.7-166.4-165.800110.6V62 M63 N93 P94 N97 M98 R99V62-E91 WeakPolarHBondContact O-CA 3.26Å; M63-E91 HydrophobicContact SD-CG 4.16Å; E91-N93 PolarHBondContact O-N 2.92Å; E91-P94 HydrophobicContact CB-CG 4.46Å; E91-P94 WeakPolarHBondContact O-CD 3.42Å; E91-P94 WeakPolarHBondContact O-CG 3.4Å; E91-N97 VanDerWaalsContact OE2-CA 3.3Å; E91-N97 WeakPolarHBondContact OE2-CA 3.45Å; E91-M98 PolarHBondContact OE2-N 2.9Å; E91-R99 HydrophobicContact CG-CG 4.13Å; E91-R99 WeakPolarHBondContact OE1-CB 3.2Å; E91-R99 WeakPolarHBondContact OE1-CG 3.37Å
92T93.8Very high93.7Very high72 Ų7257.2 Ų57.244%0.44230%0.303SS..SBendtrans-55.9-43179.5-59.40000111.3H61 V62 M63 S64 K90H61-T92 WeakPolarHBondContact O-CB 3.49Å; H61-T92 PolarHBondContact O-OG1 3.3Å; H61-T92 VanDerWaalsContact O-OG1 3.07Å; V62-T92 PolarHBondContact O-N 3.39Å; M63-T92 PolarHBondContact O-OG1 3.15Å; M63-T92 VanDerWaalsContact O-OG1 3.11Å; S64-T92 PolarHBondContact N-OG1 2.87Å; K90-T92 PolarHBondContact O-N 3.1Å
93N92.2Very high93.6Very high67 Ų6758.3 Ų58.336%0.35831%0.312SS..SBendtrans-128.488.5175.5-172.4-2.6000110.7E91 K95 Q96E91-N93 PolarHBondContact O-N 2.92Å; N93-K95 PolarHBondContact O-N 3.45Å; N93-K95 PolarHBondContact OD1-N 3.21Å; N93-Q96 HydrophobicContact CB-CG 4.37Å; N93-Q96 PolarHBondContact ND2-OE1 3.12Å; N93-Q96 PolarHBondContact O-N 3.41Å
94P91Very high93.5Very high68 Ų6862.7 Ų62.744%0.44233%0.332SS..THydrogen-bonded Turntrans-59.7-17.6-176.4-25.534.6000114.4E91 Q96E91-P94 HydrophobicContact CB-CG 4.46Å; E91-P94 WeakPolarHBondContact O-CD 3.42Å; E91-P94 WeakPolarHBondContact O-CG 3.4Å; P94-Q96 VanDerWaalsContact C-N 3.31Å
95K89.4Confident93.6Very high169 Ų16960 Ų6074%0.73530%0.301SS*.THydrogen-bonded Turntrans-72-27.8176.6-65.3-176.7177.3-178.10112.3N93 N97N93-K95 PolarHBondContact O-N 3.45Å; N93-K95 PolarHBondContact OD1-N 3.21Å; K95-N97 VanDerWaalsContact C-N 3.32Å; K95-N97 PolarHBondContact O-ND2 3.35Å
96Q89.2Confident93.7Very high47 Ų4759.8 Ų59.822%0.2230%0.299CS..THydrogen-bonded Turntrans-77.7-18.8178.8-72.5179.4-61.400112.5N34 C59 N93 P94 M98N34-Q96 HydrophobicContact CB-CB 4.41Å; N34-Q96 WeakPolarHBondContact CB-O 3.46Å; N34-Q96 PolarHBondContact O-NE2 2.98Å; C59-Q96 PolarHBondContact SG-NE2 3.07Å; C59-Q96 VanDerWaalsContact SG-NE2 3.35Å; N93-Q96 HydrophobicContact CB-CG 4.37Å; N93-Q96 PolarHBondContact ND2-OE1 3.12Å; N93-Q96 PolarHBondContact O-N 3.41Å; P94-Q96 VanDerWaalsContact C-N 3.31Å; Q96-M98 PolarHBondContact O-N 3.07Å
97N92.2Very high93.8Very high88 Ų8865.1 Ų65.147%0.47131%0.308SS..  trans47.445.8-176.8-64.9-75000111.7E91 K95 R99 K100 F101E91-N97 VanDerWaalsContact OE2-CA 3.3Å; E91-N97 WeakPolarHBondContact OE2-CA 3.45Å; K95-N97 VanDerWaalsContact C-N 3.32Å; K95-N97 PolarHBondContact O-ND2 3.35Å; N97-R99 VanDerWaalsContact C-N 3.31Å; N97-R99 PolarHBondContact O-N 3.23Å; N97-K100 HydrophobicContact CB-CB 4.36Å; N97-K100 PolarHBondContact O-N 2.86Å; N97-K100 VanDerWaalsContact O-N 3.12Å; N97-F101 PolarHBondContact O-N 2.82Å
98M94.5Very high93.8Very high6 Ų666.2 Ų66.23%0.0333%0.327CS..Hα-helixtrans-63-38.3-163.5-176.259.572.800111.7V58 C59 V62 E91 Q96 K100 F101 L102V58-M98 HydrophobicContact CB-CE 4.5Å; V58-M98 HydrophobicContact CB-CG 4.45Å; V58-M98 HydrophobicContact CB-SD 4.32Å; V58-M98 HydrophobicContact CG1-CG 4.15Å; V58-M98 HydrophobicContact CG1-SD 4.14Å; C59-M98 HydrophobicContact CB-CE 4.23Å; V62-M98 HydrophobicContact CB-CG 4.46Å; V62-M98 HydrophobicContact CG1-CB 4.07Å; V62-M98 HydrophobicContact CG1-CG 3.95Å; V62-M98 HydrophobicContact CG2-CG 3.99Å; E91-M98 PolarHBondContact OE2-N 2.9Å; Q96-M98 PolarHBondContact O-N 3.07Å; M98-K100 PolarHBondContact O-N 2.95Å; M98-F101 WeakPolarHBondContact O-CB 3.3Å; M98-F101 PolarHBondContact O-N 3.18Å; M98-F101 HydrophobicContact SD-CD1 3.87Å; M98-L102 HydrophobicContact CG-CD1 4.31Å; M98-L102 WeakPolarHBondContact O-CG 3.34Å; M98-L102 PolarHBondContact O-N 3.2Å; M98-L102 HydrophobicContact SD-CG 4.48Å
99R94.6Very high94Very high88 Ų8863.3 Ų63.333%0.33231%0.314SS..Hα-helixtrans-63.6-43177.6-60.6178.977.5-136.45.9111.9V62 M63 E91 N97 F101 L102 A103 D131 A132V62-R99 HydrophobicContact CG1-CG 3.79Å; M63-R99 HydrophobicContact SD-CG 4.23Å; E91-R99 HydrophobicContact CG-CG 4.13Å; E91-R99 WeakPolarHBondContact OE1-CB 3.2Å; E91-R99 WeakPolarHBondContact OE1-CG 3.37Å; N97-R99 VanDerWaalsContact C-N 3.31Å; N97-R99 PolarHBondContact O-N 3.23Å; R99-F101 VanDerWaalsContact C-N 3.3Å; R99-F101 PolarHBondContact O-N 3.14Å; R99-L102 PolarHBondContact O-N 2.86Å; R99-A103 VanDerWaalsContact O-CB 3.31Å; R99-A103 WeakPolarHBondContact O-CB 3.44Å; R99-A103 PolarHBondContact O-N 3.3Å; R99-D131 IonicContact CZ-OD2 2.65Å; R99-D131 IonicContact NE-OD2 3.4Å; R99-D131 IonicContact NH2-OD2 2.71Å; R99-D131 PolarHBondContact NH2-OD2 3.12Å; R99-A132 HydrophobicContact CB-CB 4.2Å; R99-A132 HydrophobicContact CG-CB 4.2Å
100K93.9Very high94.1Very high160 Ų16062.8 Ų62.870%0.69632%0.315SS*.Hα-helixtrans-64.7-37.6178.3-173.3178.5178.8-1790111.2N97 M98 H104N97-K100 HydrophobicContact CB-CB 4.36Å; N97-K100 PolarHBondContact O-N 2.86Å; N97-K100 VanDerWaalsContact O-N 3.12Å; M98-K100 PolarHBondContact O-N 2.95Å; K100-H104 WeakPolarHBondContact O-CB 3.37Å; K100-H104 PolarHBondContact O-N 3.37Å
101F94.9Very high94.3Very high15 Ų1561.1 Ų61.17%0.06631%0.307CS..Hα-helixtrans-63.3-52.6173.6169.1-112.1000111.9N34 C36 T56 N97 M98 R99 A103 H104 E105N34-F101 WeakPolarHBondContact ND2-CB 3.35Å; N34-F101 WeakPolarHBondContact ND2-CD1 3.44Å; N34-F101 WeakPolarHBondContact ND2-CD2 3.42Å; N34-F101 WeakPolarHBondContact ND2-CE2 3.37Å; N34-F101 WeakPolarHBondContact ND2-CG 3.33Å; C36-F101 HydrophobicContact CB-CE1 3.7Å; C36-F101 HydrophobicContact CB-CZ 3.81Å; T56-F101 HydrophobicContact CG2-CE1 4.19Å; T56-F101 HydrophobicContact CG2-CZ 4.45Å; T56-F101 WeakPolarHBondContact OG1-CE1 3.38Å; T56-F101 WeakPolarHBondContact OG1-CZ 3.35Å; N97-F101 PolarHBondContact O-N 2.82Å; M98-F101 WeakPolarHBondContact O-CB 3.3Å; M98-F101 PolarHBondContact O-N 3.18Å; M98-F101 HydrophobicContact SD-CD1 3.87Å; R99-F101 VanDerWaalsContact C-N 3.3Å; R99-F101 PolarHBondContact O-N 3.14Å; F101-A103 VanDerWaalsContact C-N 3.32Å; F101-A103 PolarHBondContact O-N 3.39Å; F101-H104 WeakPolarHBondContact O-CA 3.43Å; F101-H104 WeakPolarHBondContact O-CB 3.47Å; F101-H104 PolarHBondContact O-N 3.06Å; F101-E105 HydrophobicContact CD2-CG 3.98Å; F101-E105 HydrophobicContact CE1-CG 4.32Å; F101-E105 HydrophobicContact CE2-CG 3.52Å; F101-E105 HydrophobicContact CZ-CG 3.72Å; F101-E105 PolarHBondContact O-N 2.75Å
102L96.1Very high94.5Very high0 Ų059.1 Ų59.10%030%0.298CS..Hα-helixtrans-57-46.3178.1-69.3172.4000111.5V7 T56 V58 V62 M98 R99 H104 E105 A106 V129 A132 V133V7-L102 HydrophobicContact CG1-CD2 4.05Å; V7-L102 HydrophobicContact CG2-CD2 4.3Å; T56-L102 HydrophobicContact CG2-CD2 4.45Å; V58-L102 HydrophobicContact CG1-CD1 3.88Å; V58-L102 HydrophobicContact CG1-CD2 4.1Å; V58-L102 HydrophobicContact CG1-CG 4.42Å; V62-L102 HydrophobicContact CG2-CD1 4.35Å; M98-L102 HydrophobicContact CG-CD1 4.31Å; M98-L102 WeakPolarHBondContact O-CG 3.34Å; M98-L102 PolarHBondContact O-N 3.2Å; M98-L102 HydrophobicContact SD-CG 4.48Å; R99-L102 PolarHBondContact O-N 2.86Å; L102-H104 PolarHBondContact O-N 3.07Å; L102-E105 PolarHBondContact O-N 3.41Å; L102-A106 WeakPolarHBondContact O-CB 3.45Å; L102-A106 PolarHBondContact O-N 3.25Å; L102-V129 HydrophobicContact CD1-CG2 4.24Å; L102-A132 HydrophobicContact CB-CB 4.17Å; L102-A132 HydrophobicContact CD1-CB 3.77Å; L102-V133 HydrophobicContact CB-CG1 3.98Å
103A95.2Very high94.8Very high23 Ų2355.7 Ų55.719%0.1928%0.277CS..Hα-helixtrans-62.5-30.2176.700000113.1R99 F101 R107 V136R99-A103 VanDerWaalsContact O-CB 3.31Å; R99-A103 WeakPolarHBondContact O-CB 3.44Å; R99-A103 PolarHBondContact O-N 3.3Å; F101-A103 VanDerWaalsContact C-N 3.32Å; F101-A103 PolarHBondContact O-N 3.39Å; A103-R107 WeakPolarHBondContact O-CG 3.45Å; A103-V136 HydrophobicContact CB-CG2 4.06Å
104H94.6Very high95.1Very high97 Ų9752.5 Ų52.545%0.44926%0.26SS..Hα-helixtrans-71-50.4174.2174.4-84.3000111.3K100 F101 L102 A106 R107K100-H104 WeakPolarHBondContact O-CB 3.37Å; K100-H104 PolarHBondContact O-N 3.37Å; F101-H104 WeakPolarHBondContact O-CA 3.43Å; F101-H104 WeakPolarHBondContact O-CB 3.47Å; F101-H104 PolarHBondContact O-N 3.06Å; L102-H104 PolarHBondContact O-N 3.07Å; H104-A106 VanDerWaalsContact C-N 3.26Å; H104-A106 PolarHBondContact O-N 3.39Å; H104-R107 WeakPolarHBondContact O-CB 3.42Å; H104-R107 PolarHBondContact O-N 3.39Å; H104-R107 VanDerWaalsContact O-N 3.17Å
105E95Very high95.5Very high14 Ų1449.3 Ų49.37%0.06524%0.239CC..Hα-helixtrans-65.2-31.6-179-62.7-53.9116.900112.5L5 T38 R54 F101 L102 R107L5-E105 HydrophobicContact CD1-CB 4.19Å; T38-E105 WeakPolarHBondContact CB-OE2 3.26Å; T38-E105 WeakPolarHBondContact CG2-OE2 3.35Å; T38-E105 VanDerWaalsContact OG1-CD 3.27Å; T38-E105 PolarHBondContact OG1-OE2 2.8Å; R54-E105 PolarHBondContact NH1-O 3.16Å; F101-E105 HydrophobicContact CD2-CG 3.98Å; F101-E105 HydrophobicContact CE1-CG 4.32Å; F101-E105 HydrophobicContact CE2-CG 3.52Å; F101-E105 HydrophobicContact CZ-CG 3.72Å; F101-E105 PolarHBondContact O-N 2.75Å; L102-E105 PolarHBondContact O-N 3.41Å; E105-R107 PolarHBondContact O-N 2.87Å
106A96.7Very high95.9Very high0 Ų041.2 Ų41.20%020%0.204CC..THydrogen-bonded Turntrans-69.4-12.7176.300000114.5L5 L102 H104 G108 C109 V133 V136 I137L5-A106 HydrophobicContact CD2-CB 3.76Å; L102-A106 WeakPolarHBondContact O-CB 3.45Å; L102-A106 PolarHBondContact O-N 3.25Å; H104-A106 VanDerWaalsContact C-N 3.26Å; H104-A106 PolarHBondContact O-N 3.39Å; A106-G108 PolarHBondContact O-N 3.46Å; A106-C109 WeakPolarHBondContact O-CB 3.43Å; A106-C109 PolarHBondContact O-N 2.87Å; A106-V133 HydrophobicContact CB-CB 3.96Å; A106-V133 HydrophobicContact CB-CG1 3.77Å; A106-V136 HydrophobicContact CB-CB 4.27Å; A106-V136 HydrophobicContact CB-CG1 4.04Å; A106-I137 HydrophobicContact CB-CD1 4.01Å; A106-I137 HydrophobicContact CB-CG1 4.05Å
107R95.6Very high96.3Very high165 Ų16539.1 Ų39.162%0.62319%0.194SC*.THydrogen-bonded Turntrans-64124.5-178-74.1179.7-177.8174.8-2.5111.2R54 A103 H104 E105 C109 V136R54-R107 PolarHBondContact NH1-O 2.93Å; A103-R107 WeakPolarHBondContact O-CG 3.45Å; H104-R107 WeakPolarHBondContact O-CB 3.42Å; H104-R107 PolarHBondContact O-N 3.39Å; H104-R107 VanDerWaalsContact O-N 3.17Å; E105-R107 PolarHBondContact O-N 2.87Å; R107-C109 VanDerWaalsContact C-N 3.26Å; R107-V136 HydrophobicContact CB-CG1 4.31Å; R107-V136 HydrophobicContact CG-CG1 3.74Å
108G95.3Very high96.4Very high60 Ų6036 Ų3662%0.61918%0.179SC*.THydrogen-bonded Turntrans7611.6-178.600000114A106A106-G108 PolarHBondContact O-N 3.46Å
109C97.4Very high96.4Very high8 Ų837 Ų375%0.05419%0.185CC..  trans-86.5137.2170.5-66.10000110.7L5 A106 R107 I137L5-C109 HydrophobicContact CB-CB 4.05Å; A106-C109 WeakPolarHBondContact O-CB 3.43Å; A106-C109 PolarHBondContact O-N 2.87Å; R107-C109 VanDerWaalsContact C-N 3.26Å; C109-I137 HydrophobicContact CB-CD1 4.12Å; C109-I137 HydrophobicContact CB-CG1 4.39Å
110D97.1Very high96.4Very high71 Ų7134.6 Ų34.638%0.3818%0.176SC..SBendtrans-94.1-29.6179.2-55.3-86.8000111.8K2 S3K2-D110 WeakPolarHBondContact CA-OD2 3.5Å; K2-D110 HydrophobicContact CB-CB 4.28Å; K2-D110 VanDerWaalsContact CB-OD2 3.28Å; K2-D110 WeakPolarHBondContact CB-OD2 3.3Å; K2-D110 HydrophobicContact CD-CB 4.31Å; K2-D110 HydrophobicContact CG-CB 4.43Å; S3-D110 PolarHBondContact N-OD2 3.49Å; S3-D110 PolarHBondContact O-N 3.13Å
111Y98.2Very high96.5Very high24 Ų2429.4 Ų29.49%0.09416%0.155CC..EExtended strand (participates in β ladder)trans-130.2155.8-177-57.5-74.3000112.1K2 S3 V4 L5 F45 E48 Q144 V145 Y147K2-Y111 HydrophobicContact CB-CE2 4.39Å; K2-Y111 HydrophobicContact CD-CE2 3.58Å; K2-Y111 PolarHBondContact NZ-OH 2.99Å; S3-Y111 PolarHBondContact O-N 2.96Å; V4-Y111 HydrophobicContact CG2-CD2 4.03Å; L5-Y111 PolarHBondContact N-O 3.47Å; F45-Y111 HydrophobicContact CD1-CD2 4.3Å; F45-Y111 HydrophobicContact CE1-CD1 4.42Å; F45-Y111 HydrophobicContact CE1-CD2 4.09Å; F45-Y111 HydrophobicContact CE1-CG 4.04Å; E48-Y111 HydrophobicContact CG-CE2 4.01Å; E48-Y111 PolarHBondContact OE1-OH 2.89Å; Y111-Q144 WeakPolarHBondContact CE1-O 3.33Å; Y111-V145 WeakPolarHBondContact CA-O 3.37Å; Y111-Y147 HydrophobicContact CD1-CE2 4.08Å
112L98.6Very high96.5Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-122.1130.5171.7176.562.8000109.8L5 V7 L114 V129 M130 V133 I137 V140 V145 T146 Y147L5-L112 HydrophobicContact CB-CD1 4.27Å; L5-L112 HydrophobicContact CD2-CD1 4.02Å; L5-L112 HydrophobicContact CG-CD1 4.08Å; L5-L112 CarbonylContact O-C 3.5Å; L5-L112 WeakPolarHBondContact O-CA 3.45Å; V7-L112 HydrophobicContact CG2-CD1 3.99Å; L112-L114 HydrophobicContact CD1-CD2 4.4Å; L112-L114 HydrophobicContact CD2-CD2 4.07Å; L112-L114 HydrophobicContact CD2-CG 4.44Å; L112-L114 HydrophobicContact CG-CD2 4.2Å; L112-L114 HydrophobicContact CG-CG 4.32Å; L112-V129 HydrophobicContact CD1-CG1 4.48Å; L112-V129 HydrophobicContact CD2-CG1 4.49Å; L112-M130 HydrophobicContact CD2-CG 3.98Å; L112-V133 HydrophobicContact CD2-CG2 4.1Å; L112-I137 HydrophobicContact CB-CD1 4.3Å; L112-V140 HydrophobicContact CD2-CG2 3.75Å; L112-V145 PolarHBondContact N-O 3.01Å; L112-T146 HydrophobicContact CB-CG2 4.34Å; L112-T146 HydrophobicContact CD2-CG2 4.02Å; L112-T146 HydrophobicContact CG-CG2 4.2Å; L112-T146 WeakPolarHBondContact O-CA 3.31Å; L112-Y147 PolarHBondContact O-N 3.31Å
113V98.7Very high96.6Very high0 Ų028.9 Ų28.90%015%0.153CC..EExtended strand (participates in β ladder)trans-121.5123.1169.7-170.10000109.8V4 L5 M6 V7 F45 Y147 A149 L166V4-V113 HydrophobicContact CG1-CG2 3.64Å; L5-V113 PolarHBondContact O-N 3.26Å; M6-V113 VanDerWaalsContact CA-O 3.26Å; M6-V113 WeakPolarHBondContact CA-O 3.49Å; M6-V113 HydrophobicContact CG-CB 4.03Å; M6-V113 HydrophobicContact CG-CG2 4.44Å; V7-V113 PolarHBondContact N-O 3.42Å; V7-V113 VanDerWaalsContact N-O 3.1Å; F45-V113 HydrophobicContact CE2-CG2 4.01Å; F45-V113 HydrophobicContact CZ-CG2 4.12Å; V113-Y147 CarbonylContact C-O 3.53Å; V113-Y147 WeakPolarHBondContact CA-O 3.48Å; V113-A149 HydrophobicContact CG1-CB 4.45Å; V113-L166 HydrophobicContact CG1-CD1 4.16Å; V113-L166 HydrophobicContact CG1-CD2 3.61Å; V113-L166 HydrophobicContact CG2-CD1 4.35Å
114L98.8Very high96.7Very high0 Ų027.9 Ų27.90%014%0.144CC..EExtended strand (participates in β ladder)trans-92.7119.3-175.1-63161.4000110L112 L116 C126 V129 M130 T146 Y147 R148 A149 P169L112-L114 HydrophobicContact CD1-CD2 4.4Å; L112-L114 HydrophobicContact CD2-CD2 4.07Å; L112-L114 HydrophobicContact CD2-CG 4.44Å; L112-L114 HydrophobicContact CG-CD2 4.2Å; L112-L114 HydrophobicContact CG-CG 4.32Å; L114-L116 HydrophobicContact CB-CD1 3.94Å; L114-L116 HydrophobicContact CD2-CD1 3.79Å; L114-L116 HydrophobicContact CG-CD1 4.48Å; L114-C126 HydrophobicContact CD1-CB 3.73Å; L114-C126 HydrophobicContact CD2-CB 4.27Å; L114-C126 HydrophobicContact CG-CB 4.43Å; L114-V129 HydrophobicContact CD2-CB 4.19Å; L114-V129 HydrophobicContact CD2-CG1 3.99Å; L114-M130 HydrophobicContact CD1-CG 4.38Å; L114-M130 HydrophobicContact CD1-SD 4.18Å; L114-T146 HydrophobicContact CD1-CG2 3.66Å; L114-T146 HydrophobicContact CG-CG2 4.25Å; L114-Y147 PolarHBondContact N-O 3.3Å; L114-R148 PolarHBondContact O-NH1 3.47Å; L114-A149 PolarHBondContact O-N 3.5Å; L114-P169 HydrophobicContact CD1-CB 3.94Å; L114-P169 HydrophobicContact CD1-CG 3.94Å
115W98.7Very high96.9Very high0 Ų023.4 Ų23.40%012%0.123CC..EExtended strand (participates in β ladder)trans-117.932.4-176.8-75.693000111.9V7 A8 L17 L21 M55 A149 F151 I159 A162 M163V7-W115 CarbonylContact O-C 3.53Å; V7-W115 WeakPolarHBondContact O-CA 3.22Å; V7-W115 PolarHBondContact O-N 3.29Å; A8-W115 WeakPolarHBondContact CA-O 3.15Å; A8-W115 HydrophobicContact CB-CB 4.22Å; L17-W115 HydrophobicContact CD1-CB 3.71Å; L17-W115 HydrophobicContact CD1-CD2 4.08Å; L17-W115 HydrophobicContact CD1-CE3 3.86Å; L17-W115 HydrophobicContact CD1-CG 4.08Å; L17-W115 HydrophobicContact CD2-CE3 3.79Å; L17-W115 HydrophobicContact CD2-CZ3 3.99Å; L17-W115 HydrophobicContact CG-CE3 4.42Å; L21-W115 HydrophobicContact CD1-CH2 4.15Å; L21-W115 HydrophobicContact CD1-CZ2 3.67Å; L21-W115 HydrophobicContact CD2-CH2 4.43Å; L21-W115 HydrophobicContact CD2-CZ2 4.44Å; M55-W115 HydrophobicContact CE-CG 4.41Å; M55-W115 HydrophobicContact SD-CG 4.47Å; W115-A149 HydrophobicContact CD2-CB 3.59Å; W115-A149 HydrophobicContact CE3-CB 3.59Å; W115-A149 HydrophobicContact CG-CB 4.24Å; W115-A149 HydrophobicContact CH2-CB 3.81Å; W115-A149 HydrophobicContact CZ2-CB 3.82Å; W115-A149 HydrophobicContact CZ3-CB 3.69Å; W115-F151 AromaticContact CE3-CD1 3.83Å; W115-F151 HydrophobicContact CE3-CD1 3.83Å; W115-F151 AromaticContact CE3-CE1 3.69Å; W115-F151 HydrophobicContact CE3-CE1 3.69Å; W115-F151 HydrophobicContact CE3-CZ 4.39Å; W115-F151 AromaticContact CZ3-CD1 3.98Å; W115-F151 HydrophobicContact CZ3-CD1 3.98Å; W115-F151 HydrophobicContact CZ3-CE1 4.31Å; W115-I159 HydrophobicContact CH2-CG2 3.83Å; W115-I159 HydrophobicContact CZ3-CD1 3.98Å; W115-I159 HydrophobicContact CZ3-CG2 3.84Å; W115-A162 HydrophobicContact CH2-CB 3.97Å; W115-A162 HydrophobicContact CZ3-CB 4.01Å; W115-M163 HydrophobicContact CH2-CB 4.3Å; W115-M163 HydrophobicContact CZ2-CB 4.24Å; W115-M163 HydrophobicContact CZ2-SD 3.88Å
116L98.4Very high97.1Very high0 Ų022.7 Ų22.70%012%0.12CC..  trans-73.4163.4177.2-64.498.1000110.4V7 E9 V58 L114 I125 C126 R148 F151V7-L116 WeakPolarHBondContact O-CD1 3.45Å; E9-L116 HydrophobicContact CB-CB 4.41Å; E9-L116 HydrophobicContact CB-CD2 4.5Å; E9-L116 HydrophobicContact CB-CG 4.48Å; V58-L116 HydrophobicContact CG2-CD2 4.36Å; L114-L116 HydrophobicContact CB-CD1 3.94Å; L114-L116 HydrophobicContact CD2-CD1 3.79Å; L114-L116 HydrophobicContact CG-CD1 4.48Å; L116-I125 HydrophobicContact CD2-CB 3.4Å; L116-I125 HydrophobicContact CD2-CG2 3.17Å; L116-C126 HydrophobicContact CD1-CB 4.48Å; L116-C126 VanDerWaalsContact CD1-SG 3.58Å; L116-R148 VanDerWaalsContact N-NH1 3.14Å; L116-R148 PolarHBondContact O-NH1 2.81Å; L116-R148 PolarHBondContact O-NH2 3.33Å; L116-F151 WeakPolarHBondContact O-CE1 3.44Å; L116-F151 WeakPolarHBondContact O-CZ 3.4Å
117D96.8Very high97.2Very high3 Ų324.5 Ų24.52%0.01613%0.128CC..  trans-60.9150177.4-71.2-27.8000109.6E9 L13 D119 G122 R148 Y325 Y332E9-D117 WeakPolarHBondContact OE2-CB 3.29Å; E9-D117 PolarHBondContact OE2-N 2.85Å; L13-D117 WeakPolarHBondContact CD2-OD1 3.4Å; D117-D119 VanDerWaalsContact C-N 3.27Å; D117-D119 PolarHBondContact O-N 2.85Å; D117-G122 WeakPolarHBondContact O-CA 3.38Å; D117-R148 PolarHBondContact O-NH2 2.79Å; D117-Y325 VanDerWaalsContact OD1-CE1 3.26Å; D117-Y325 WeakPolarHBondContact OD1-CE1 3.33Å; D117-Y325 PolarHBondContact OD1-OH 3.12Å; D117-Y332 HydrophobicContact CB-CE2 3.67Å; D117-Y332 WeakPolarHBondContact CB-OH 3.28Å
118C96.4Very high97.3Very high21 Ų2117 Ų1714%0.14210%0.1CC..SBendtrans-93.344.3-165.7-72.60000112.8F151 H382C118-F151 PolarHBondContact SG-N 3.4Å; C118-F151 VanDerWaalsContact SG-N 3.39Å; C118-F151 PolarHBondContact SG-O 2.9Å; C118-H382 PolarHBondContact O-NE2 3.33Å
119D94.3Very high97.4Very high28 Ų2814.1 Ų14.115%0.157%0.07CC..SBendtrans-114.1177.2169.970.43000111.5D117 E121 G122 E123 Y332D117-D119 VanDerWaalsContact C-N 3.27Å; D117-D119 PolarHBondContact O-N 2.85Å; D119-E121 VanDerWaalsContact C-N 3.25Å; D119-E121 PolarHBondContact O-N 3.06Å; D119-E121 PolarHBondContact OD1-N 3.37Å; D119-G122 PolarHBondContact O-N 2.92Å; D119-G122 PolarHBondContact OD1-N 3.43Å; D119-E123 PolarHBondContact O-N 2.86Å; D119-Y332 HydrophobicContact CB-CE1 4.09Å; D119-Y332 PolarHBondContact OD2-OH 3.48Å
120K94.1Very high97.5Very high37 Ų3714 Ų1416%0.1617%0.069CC..Hα-helixtrans-60.3-34.2-179.8-65.2178.1-174.8160.10112.7E123 N124 E173 V177 D506K120-E123 PolarHBondContact O-N 2.87Å; K120-N124 PolarHBondContact O-N 2.73Å; K120-E173 HydrophobicContact CG-CB 4.47Å; K120-E173 HydrophobicContact CG-CG 4.36Å; K120-V177 HydrophobicContact CB-CG2 3.79Å; K120-V177 VanDerWaalsContact O-CG2 3.29Å; K120-V177 WeakPolarHBondContact O-CG2 3.24Å; K120-D506 VanDerWaalsContact CE-OD1 3.32Å; K120-D506 WeakPolarHBondContact CE-OD1 3.38Å; K120-D506 IonicContact NZ-OD1 2.68Å; K120-D506 PolarHBondContact NZ-OD1 3.47Å; K120-D506 IonicContact NZ-OD2 3.51Å; K120-D506 PolarHBondContact NZ-OD2 3.29Å
121E94.8Very high97.5Very high52 Ų5212.7 Ų12.724%0.2436%0.062CC..Hα-helixtrans-67-45.4177-60.3-72.5-173.900109.9H61 D119 E123 N124 I125 V177 R180H61-E121 IonicContact CE1-OE2 3.78Å; H61-E121 IonicContact NE2-OE2 3.91Å; H61-E121 PolarHBondContact NE2-OE2 3.2Å; H61-E121 VanDerWaalsContact NE2-OE2 3.13Å; D119-E121 VanDerWaalsContact C-N 3.25Å; D119-E121 PolarHBondContact O-N 3.06Å; D119-E121 PolarHBondContact OD1-N 3.37Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E121-E123 PolarHBondContact O-N 3.09Å; E121-N124 WeakPolarHBondContact O-CB 3.3Å; E121-N124 PolarHBondContact O-N 2.76Å; E121-I125 VanDerWaalsContact O-CG1 3.24Å; E121-I125 WeakPolarHBondContact O-CG1 3.49Å; E121-I125 PolarHBondContact O-N 3.22Å; E121-V177 WeakPolarHBondContact OE2-CG1 3.48Å; E121-R180 IonicContact OE1-CZ 2.82Å; E121-R180 IonicContact OE1-NE 2.72Å; E121-R180 IonicContact OE1-NH2 3.34Å; E121-R180 PolarHBondContact OE1-NH2 2.86Å; E121-R180 IonicContact OE2-NH2 3.37Å; E121-R180 PolarHBondContact OE2-NH2 3.02Å
122G96.6Very high97.4Very high0 Ų012.1 Ų12.10%06%0.062CC..Hα-helixtrans-60.6-38.8174.400000113.2D117 D119 I125 C126D117-G122 WeakPolarHBondContact O-CA 3.38Å; D119-G122 PolarHBondContact O-N 2.92Å; D119-G122 PolarHBondContact OD1-N 3.43Å; G122-I125 PolarHBondContact O-N 3.17Å; G122-C126 PolarHBondContact O-N 2.86Å; G122-C126 PolarHBondContact O-SG 2.98Å
123E97.5Very high97.3Very high4 Ų412.1 Ų12.12%0.0196%0.062CC..Hα-helixtrans-62.2-42.2170.1-70.6-53.5125.300111.8D119 K120 E121 I125 C126 F127 R148 N170 E173D119-E123 PolarHBondContact O-N 2.86Å; K120-E123 PolarHBondContact O-N 2.87Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E121-E123 PolarHBondContact O-N 3.09Å; E123-I125 PolarHBondContact O-N 2.78Å; E123-C126 WeakPolarHBondContact O-CB 3.16Å; E123-C126 PolarHBondContact O-N 3.24Å; E123-F127 VanDerWaalsContact O-CD2 3.32Å; E123-F127 WeakPolarHBondContact O-CD2 3.48Å; E123-R148 IonicContact OE1-CZ 2.76Å; E123-R148 VanDerWaalsContact OE1-CZ 3.28Å; E123-R148 IonicContact OE1-NE 3.35Å; E123-R148 PolarHBondContact OE1-NE 3.36Å; E123-R148 IonicContact OE1-NH2 2.82Å; E123-R148 PolarHBondContact OE1-NH2 3.06Å; E123-N170 PolarHBondContact OE2-N 3.32Å; E123-E173 HydrophobicContact CB-CB 4.17Å; E123-E173 HydrophobicContact CG-CB 4.32Å; E123-E173 WeakPolarHBondContact CG-OE2 3.34Å
124N98.1Very high97.2Very high1 Ų115.7 Ų15.71%0.0058%0.078CC..Hα-helixtrans-60.7-44.6174.9-173.1-94.5000112.1H61 K120 E121 C126 F127 E128 A174 V177 D178H61-N124 PolarHBondContact CE1-OD1 3.01Å; H61-N124 VanDerWaalsContact CE1-OD1 3.3Å; K120-N124 PolarHBondContact O-N 2.73Å; E121-N124 WeakPolarHBondContact O-CB 3.3Å; E121-N124 PolarHBondContact O-N 2.76Å; N124-C126 VanDerWaalsContact C-N 3.25Å; N124-C126 PolarHBondContact O-N 3.12Å; N124-F127 PolarHBondContact O-N 3.05Å; N124-F127 VanDerWaalsContact O-N 3.13Å; N124-E128 PolarHBondContact O-N 2.87Å; N124-E128 PolarHBondContact OD1-OE1 3.34Å; N124-A174 HydrophobicContact CB-CB 4.48Å; N124-A174 PolarHBondContact ND2-O 2.84Å; N124-V177 HydrophobicContact CB-CB 3.78Å; N124-V177 HydrophobicContact CB-CG1 3.71Å; N124-V177 HydrophobicContact CB-CG2 4.16Å; N124-D178 PolarHBondContact ND2-OD1 2.68Å
125I98.3Very high97.1Very high3 Ų323.2 Ų23.22%0.01511%0.113CC..Hα-helixtrans-66-29.3178.7-54.5162.2000111E9 V58 V62 L116 E121 G122 E123 F127 E128 V129E9-I125 HydrophobicContact CG-CD1 4.17Å; V58-I125 HydrophobicContact CG2-CG2 3.94Å; V62-I125 HydrophobicContact CG2-CG2 4.48Å; L116-I125 HydrophobicContact CD2-CB 3.4Å; L116-I125 HydrophobicContact CD2-CG2 3.17Å; E121-I125 VanDerWaalsContact O-CG1 3.24Å; E121-I125 WeakPolarHBondContact O-CG1 3.49Å; E121-I125 PolarHBondContact O-N 3.22Å; G122-I125 PolarHBondContact O-N 3.17Å; E123-I125 PolarHBondContact O-N 2.78Å; I125-F127 VanDerWaalsContact C-N 3.29Å; I125-F127 PolarHBondContact O-N 3.03Å; I125-E128 WeakPolarHBondContact O-CB 3.45Å; I125-E128 PolarHBondContact O-N 3Å; I125-E128 VanDerWaalsContact O-N 3.14Å; I125-V129 HydrophobicContact CG2-CG2 4.48Å; I125-V129 WeakPolarHBondContact O-CG2 3.49Å; I125-V129 PolarHBondContact O-N 2.9Å
126C98.7Very high97Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-53.1-48.1170.9-70.90000111.5L114 L116 G122 E123 N124 E128 V129 M130 P169L114-C126 HydrophobicContact CD1-CB 3.73Å; L114-C126 HydrophobicContact CD2-CB 4.27Å; L114-C126 HydrophobicContact CG-CB 4.43Å; L116-C126 HydrophobicContact CD1-CB 4.48Å; L116-C126 VanDerWaalsContact CD1-SG 3.58Å; G122-C126 PolarHBondContact O-N 2.86Å; G122-C126 PolarHBondContact O-SG 2.98Å; E123-C126 WeakPolarHBondContact O-CB 3.16Å; E123-C126 PolarHBondContact O-N 3.24Å; N124-C126 VanDerWaalsContact C-N 3.25Å; N124-C126 PolarHBondContact O-N 3.12Å; C126-E128 VanDerWaalsContact C-N 3.34Å; C126-E128 PolarHBondContact O-N 3.25Å; C126-V129 WeakPolarHBondContact O-CB 3.19Å; C126-V129 PolarHBondContact O-N 3.2Å; C126-M130 VanDerWaalsContact O-CG 3.29Å; C126-M130 WeakPolarHBondContact O-CG 3.32Å; C126-M130 PolarHBondContact O-N 2.99Å; C126-P169 HydrophobicContact CB-CB 4.25Å
127F98.2Very high96.9Very high37 Ų3725.5 Ų25.516%0.16213%0.126CC..Hα-helixtrans-71.7-27.5179.8-73-91.5000112.8E123 N124 I125 M130 D131 Y141 P169 E171 A174E123-F127 VanDerWaalsContact O-CD2 3.32Å; E123-F127 WeakPolarHBondContact O-CD2 3.48Å; N124-F127 PolarHBondContact O-N 3.05Å; N124-F127 VanDerWaalsContact O-N 3.13Å; I125-F127 VanDerWaalsContact C-N 3.29Å; I125-F127 PolarHBondContact O-N 3.03Å; F127-M130 HydrophobicContact CD1-SD 4.07Å; F127-M130 HydrophobicContact CE1-SD 4.2Å; F127-M130 HydrophobicContact CG-SD 4.42Å; F127-D131 WeakPolarHBondContact O-CB 3.47Å; F127-D131 PolarHBondContact O-N 3.4Å; F127-Y141 HydrophobicContact CD1-CE1 4.38Å; F127-P169 HydrophobicContact CE2-CB 3.85Å; F127-P169 HydrophobicContact CZ-CB 3.99Å; F127-P169 HydrophobicContact CZ-CG 4.19Å; F127-E171 HydrophobicContact CD1-CG 4.31Å; F127-E171 HydrophobicContact CE1-CB 3.85Å; F127-E171 HydrophobicContact CE1-CG 3.7Å; F127-E171 HydrophobicContact CE2-CB 4.27Å; F127-E171 HydrophobicContact CZ-CB 3.53Å; F127-E171 HydrophobicContact CZ-CG 3.88Å; F127-A174 HydrophobicContact CD2-CB 3.36Å; F127-A174 HydrophobicContact CE2-CB 3.77Å; F127-A174 HydrophobicContact CG-CB 4.1Å
128E98Very high96.7Very high8 Ų831.8 Ų31.84%0.03716%0.16CC..Hα-helixtrans-65.6-41.7169.4-61.2-179.316900112H61 V62 M63 N124 I125 C126 D131 A132H61-E128 IonicContact CE1-OE1 3.14Å; H61-E128 IonicContact CG-OE1 2.68Å; H61-E128 IonicContact ND1-OE1 3.8Å; H61-E128 PolarHBondContact ND1-OE1 3.48Å; H61-E128 IonicContact ND1-OE2 2.92Å; V62-E128 WeakPolarHBondContact CA-OE2 3.44Å; V62-E128 HydrophobicContact CB-CB 4.16Å; V62-E128 WeakPolarHBondContact CB-OE2 3.39Å; V62-E128 HydrophobicContact CG2-CB 4.41Å; V62-E128 PolarHBondContact N-OE2 2.78Å; M63-E128 HydrophobicContact CB-CG 4.25Å; M63-E128 HydrophobicContact CG-CB 4.37Å; M63-E128 HydrophobicContact CG-CG 4.17Å; M63-E128 PolarHBondContact N-OE2 2.91Å; N124-E128 PolarHBondContact O-N 2.87Å; N124-E128 PolarHBondContact OD1-OE1 3.34Å; I125-E128 WeakPolarHBondContact O-CB 3.45Å; I125-E128 PolarHBondContact O-N 3Å; I125-E128 VanDerWaalsContact O-N 3.14Å; C126-E128 VanDerWaalsContact C-N 3.34Å; C126-E128 PolarHBondContact O-N 3.25Å; E128-D131 PolarHBondContact O-N 3.26Å; E128-A132 WeakPolarHBondContact O-CB 3.3Å; E128-A132 PolarHBondContact O-N 3.23Å
129V98.3Very high96.7Very high0 Ų036.7 Ų36.70%019%0.185CC..Hα-helixtrans-64.3-46.3175.3171.90000110.4V7 V58 L102 L112 L114 I125 C126 D131 A132 V133V7-V129 HydrophobicContact CB-CG1 4.04Å; V7-V129 HydrophobicContact CG1-CG1 4.03Å; V7-V129 HydrophobicContact CG1-CG2 3.93Å; V7-V129 HydrophobicContact CG2-CG1 3.89Å; V58-V129 HydrophobicContact CG1-CG2 3.88Å; L102-V129 HydrophobicContact CD1-CG2 4.24Å; L112-V129 HydrophobicContact CD1-CG1 4.48Å; L112-V129 HydrophobicContact CD2-CG1 4.49Å; L114-V129 HydrophobicContact CD2-CB 4.19Å; L114-V129 HydrophobicContact CD2-CG1 3.99Å; I125-V129 HydrophobicContact CG2-CG2 4.48Å; I125-V129 WeakPolarHBondContact O-CG2 3.49Å; I125-V129 PolarHBondContact O-N 2.9Å; C126-V129 WeakPolarHBondContact O-CB 3.19Å; C126-V129 PolarHBondContact O-N 3.2Å; V129-D131 VanDerWaalsContact C-N 3.34Å; V129-D131 PolarHBondContact O-N 3.05Å; V129-A132 WeakPolarHBondContact O-CB 3.36Å; V129-A132 PolarHBondContact O-N 2.79Å; V129-A132 VanDerWaalsContact O-N 3.16Å; V129-V133 WeakPolarHBondContact O-CG2 3.28Å; V129-V133 PolarHBondContact O-N 2.8Å
130M98.3Very high96.8Very high5 Ų535.5 Ų35.53%0.02518%0.179CC..Hα-helixtrans-58.7-44.9176.3-67.9168.377.700111.4L112 L114 C126 F127 A132 V133 K134 V140 Y141 T146 P169L112-M130 HydrophobicContact CD2-CG 3.98Å; L114-M130 HydrophobicContact CD1-CG 4.38Å; L114-M130 HydrophobicContact CD1-SD 4.18Å; C126-M130 VanDerWaalsContact O-CG 3.29Å; C126-M130 WeakPolarHBondContact O-CG 3.32Å; C126-M130 PolarHBondContact O-N 2.99Å; F127-M130 HydrophobicContact CD1-SD 4.07Å; F127-M130 HydrophobicContact CE1-SD 4.2Å; F127-M130 HydrophobicContact CG-SD 4.42Å; M130-A132 VanDerWaalsContact C-N 3.3Å; M130-A132 PolarHBondContact O-N 2.82Å; M130-V133 PolarHBondContact O-N 2.81Å; M130-K134 WeakPolarHBondContact O-CB 3.39Å; M130-K134 PolarHBondContact O-N 3.41Å; M130-V140 HydrophobicContact CB-CG2 4.49Å; M130-V140 VanDerWaalsContact CE-O 3.29Å; M130-V140 WeakPolarHBondContact CE-O 3.36Å; M130-V140 HydrophobicContact CG-CG2 4.43Å; M130-Y141 HydrophobicContact CB-CE1 4.04Å; M130-Y141 HydrophobicContact CE-CD1 3.39Å; M130-Y141 HydrophobicContact CE-CE1 3.84Å; M130-Y141 HydrophobicContact CE-CG 4.1Å; M130-T146 HydrophobicContact CE-CG2 4.08Å; M130-T146 HydrophobicContact CG-CG2 4.36Å; M130-T146 HydrophobicContact SD-CG2 4.23Å; M130-P169 HydrophobicContact CE-CG 4.31Å; M130-P169 HydrophobicContact SD-CG 3.88Å
131D96.9Very high96.9Very high44 Ų4439.5 Ų39.524%0.23519%0.193CC..Hα-helixtrans-60.3-39.8175.8-178.979000112.4R99 F127 E128 V129 V133 K134R99-D131 IonicContact CZ-OD2 2.65Å; R99-D131 IonicContact NE-OD2 3.4Å; R99-D131 IonicContact NH2-OD2 2.71Å; R99-D131 PolarHBondContact NH2-OD2 3.12Å; F127-D131 WeakPolarHBondContact O-CB 3.47Å; F127-D131 PolarHBondContact O-N 3.4Å; E128-D131 PolarHBondContact O-N 3.26Å; V129-D131 VanDerWaalsContact C-N 3.34Å; V129-D131 PolarHBondContact O-N 3.05Å; D131-V133 VanDerWaalsContact C-N 3.26Å; D131-V133 PolarHBondContact O-N 3.24Å; D131-K134 WeakPolarHBondContact O-CG 3.35Å; D131-K134 WeakPolarHBondContact OD1-CE 3.01Å; D131-K134 IonicContact OD1-NZ 3.78Å; D131-K134 PolarHBondContact OD1-NZ 3.21Å
132A96.3Very high97Very high11 Ų1139.2 Ų39.29%0.09120%0.197CC..Hα-helixtrans-65.4-28179.800000113.3R99 L102 E128 V129 M130R99-A132 HydrophobicContact CB-CB 4.2Å; R99-A132 HydrophobicContact CG-CB 4.2Å; L102-A132 HydrophobicContact CB-CB 4.17Å; L102-A132 HydrophobicContact CD1-CB 3.77Å; E128-A132 WeakPolarHBondContact O-CB 3.3Å; E128-A132 PolarHBondContact O-N 3.23Å; V129-A132 WeakPolarHBondContact O-CB 3.36Å; V129-A132 PolarHBondContact O-N 2.79Å; V129-A132 VanDerWaalsContact O-N 3.16Å; M130-A132 VanDerWaalsContact C-N 3.3Å; M130-A132 PolarHBondContact O-N 2.82Å
133V97.4Very high97Very high0 Ų043.3 Ų43.30%022%0.219CC..Hα-helixtrans-109.7-3.2-175.5-52.60000114.4L5 L102 A106 L112 V129 M130 D131 H135 V136 I137 V140L5-V133 HydrophobicContact CD2-CG1 4.37Å; L102-V133 HydrophobicContact CB-CG1 3.98Å; A106-V133 HydrophobicContact CB-CB 3.96Å; A106-V133 HydrophobicContact CB-CG1 3.77Å; L112-V133 HydrophobicContact CD2-CG2 4.1Å; V129-V133 WeakPolarHBondContact O-CG2 3.28Å; V129-V133 PolarHBondContact O-N 2.8Å; M130-V133 PolarHBondContact O-N 2.81Å; D131-V133 VanDerWaalsContact C-N 3.26Å; D131-V133 PolarHBondContact O-N 3.24Å; V133-H135 PolarHBondContact O-N 2.72Å; V133-V136 PolarHBondContact O-N 3.16Å; V133-I137 HydrophobicContact CB-CD1 4.44Å; V133-I137 HydrophobicContact CG2-CD1 4.16Å; V133-I137 PolarHBondContact O-N 2.99Å; V133-V140 HydrophobicContact CG2-CG2 3.9Å
134K96.5Very high96.9Very high76 Ų7649.7 Ų49.733%0.3325%0.249SC..THydrogen-bonded Turntrans-57.5-21.9-174.875-173177.1-171.90116.5M130 D131 V140 Y141M130-K134 WeakPolarHBondContact O-CB 3.39Å; M130-K134 PolarHBondContact O-N 3.41Å; D131-K134 WeakPolarHBondContact O-CG 3.35Å; D131-K134 WeakPolarHBondContact OD1-CE 3.01Å; D131-K134 IonicContact OD1-NZ 3.78Å; D131-K134 PolarHBondContact OD1-NZ 3.21Å; K134-V140 HydrophobicContact CB-CG1 3.72Å; K134-Y141 HydrophobicContact CB-CE2 4.06Å; K134-Y141 HydrophobicContact CD-CE2 4.39Å
135H95.9Very high96.8Very high158 Ų15850.6 Ų50.673%0.73125%0.254SS*.THydrogen-bonded Turntrans-94.3-1.7178.1-61.2-58.4000113.2V133V133-H135 PolarHBondContact O-N 2.72Å
136V96.5Very high96.8Very high47 Ų4750.5 Ų50.529%0.28525%0.254SS..THydrogen-bonded Turntrans-118.6-42-175.2-172.10000111A103 A106 R107 V133A103-V136 HydrophobicContact CB-CG2 4.06Å; A106-V136 HydrophobicContact CB-CB 4.27Å; A106-V136 HydrophobicContact CB-CG1 4.04Å; R107-V136 HydrophobicContact CB-CG1 4.31Å; R107-V136 HydrophobicContact CG-CG1 3.74Å; V133-V136 PolarHBondContact O-N 3.16Å
137I96.6Very high96.8Very high1 Ų151.1 Ų51.11%0.00526%0.256CS..SBendtrans-97.5120.8172-59.3178.7000108.1L5 A106 C109 L112 V133 V140 V145L5-I137 HydrophobicContact CB-CD1 4.46Å; L5-I137 HydrophobicContact CD2-CD1 4.32Å; A106-I137 HydrophobicContact CB-CD1 4.01Å; A106-I137 HydrophobicContact CB-CG1 4.05Å; C109-I137 HydrophobicContact CB-CD1 4.12Å; C109-I137 HydrophobicContact CB-CG1 4.39Å; L112-I137 HydrophobicContact CB-CD1 4.3Å; V133-I137 HydrophobicContact CB-CD1 4.44Å; V133-I137 HydrophobicContact CG2-CD1 4.16Å; V133-I137 PolarHBondContact O-N 2.99Å; I137-V140 HydrophobicContact CG2-CB 4.5Å; I137-V140 HydrophobicContact CG2-CG2 4.5Å; I137-V145 HydrophobicContact CG2-CG1 3.65Å
138N94.1Very high96.8Very high134 Ų13449.3 Ų49.372%0.71725%0.249SC*.THydrogen-bonded Turntrans-67.9138.4-179.9-70.8-32000110.9V140N138-V140 VanDerWaalsContact C-N 3.29Å; N138-V140 PolarHBondContact O-N 3.09Å
139N95.7Very high96.9Very high125 Ų12549 Ų4967%0.66825%0.247SC*.THydrogen-bonded Turntrans55.137.8176.9-57.3-34.7000114.1Y141 S142 V145N139-Y141 PolarHBondContact O-N 3.04Å; N139-S142 WeakPolarHBondContact O-CB 3.16Å; N139-S142 PolarHBondContact O-N 3.11Å; N139-V145 HydrophobicContact CB-CG2 4.22Å
140V96.9Very high96.8Very high3 Ų353.8 Ų53.82%0.01827%0.269CS..THydrogen-bonded Turntrans-57.7-21.7-176.877.80000114.4L112 M130 V133 K134 I137 N138 S142 T146L112-V140 HydrophobicContact CD2-CG2 3.75Å; M130-V140 HydrophobicContact CB-CG2 4.49Å; M130-V140 VanDerWaalsContact CE-O 3.29Å; M130-V140 WeakPolarHBondContact CE-O 3.36Å; M130-V140 HydrophobicContact CG-CG2 4.43Å; V133-V140 HydrophobicContact CG2-CG2 3.9Å; K134-V140 HydrophobicContact CB-CG1 3.72Å; I137-V140 HydrophobicContact CG2-CB 4.5Å; I137-V140 HydrophobicContact CG2-CG2 4.5Å; N138-V140 VanDerWaalsContact C-N 3.29Å; N138-V140 PolarHBondContact O-N 3.09Å; V140-S142 VanDerWaalsContact C-N 3.29Å; V140-T146 WeakPolarHBondContact CG2-OG1 3.49Å; V140-T146 WeakPolarHBondContact O-CB 3.44Å; V140-T146 PolarHBondContact O-OG1 3.43Å
141Y96.6Very high96.7Very high121 Ų12153.7 Ų53.748%0.47527%0.269SS..THydrogen-bonded Turntrans-88.26.3176.1-63.4-81.2000113.6F127 M130 K134 N139F127-Y141 HydrophobicContact CD1-CE1 4.38Å; M130-Y141 HydrophobicContact CB-CE1 4.04Å; M130-Y141 HydrophobicContact CE-CD1 3.39Å; M130-Y141 HydrophobicContact CE-CE1 3.84Å; M130-Y141 HydrophobicContact CE-CG 4.1Å; K134-Y141 HydrophobicContact CB-CE2 4.06Å; K134-Y141 HydrophobicContact CD-CE2 4.39Å; N139-Y141 PolarHBondContact O-N 3.04Å
142S96.8Very high96.6Very high46 Ų4652.8 Ų52.832%0.32227%0.265SS..SBendtrans-89.4136.9175.1178.30000111.2N139 V140 Q144 V145 T146N139-S142 WeakPolarHBondContact O-CB 3.16Å; N139-S142 PolarHBondContact O-N 3.11Å; V140-S142 VanDerWaalsContact C-N 3.29Å; S142-Q144 PolarHBondContact O-N 2.92Å; S142-Q144 PolarHBondContact OG-N 3.16Å; S142-V145 PolarHBondContact O-N 3.12Å; S142-T146 PolarHBondContact O-N 2.64Å
143D95.4Very high96.5Very high86 Ų8652.4 Ų52.446%0.4626%0.262SS..THydrogen-bonded Turntrans-60.5-13.6172.5-68-9.3000113.3H168D143-H168 VanDerWaalsContact CB-CE1 3.46Å; D143-H168 WeakPolarHBondContact CB-CE1 3.36Å; D143-H168 PolarHBondContact O-CE1 3.37Å; D143-H168 IonicContact OD1-CG 2.76Å; D143-H168 IonicContact OD1-ND1 3.7Å
144Q95Very high96.4Very high138 Ų13853 Ų5365%0.64527%0.265SS*.THydrogen-bonded Turntrans-83.1-19.2174.2-58.5-57.4-50.500113.1Y111 S142 Y147Y111-Q144 WeakPolarHBondContact CE1-O 3.33Å; S142-Q144 PolarHBondContact O-N 2.92Å; S142-Q144 PolarHBondContact OG-N 3.16Å; Q144-Y147 PolarHBondContact O-OH 2.94Å
145V97.4Very high96.2Very high19 Ų1950.7 Ų50.712%0.11526%0.258CS..THydrogen-bonded Turntrans-110.4-43.3-172.9174.20000111.8Y111 L112 I137 N139 S142Y111-V145 WeakPolarHBondContact CA-O 3.37Å; L112-V145 PolarHBondContact N-O 3.01Å; I137-V145 HydrophobicContact CG2-CG1 3.65Å; N139-V145 HydrophobicContact CB-CG2 4.22Å; S142-V145 PolarHBondContact O-N 3.12Å
146T98.4Very high96Very high2 Ų248.6 Ų48.61%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-110.3131.5-175.6-63.30000111.6L112 L114 M130 V140 S142 H168 P169L112-T146 HydrophobicContact CB-CG2 4.34Å; L112-T146 HydrophobicContact CD2-CG2 4.02Å; L112-T146 HydrophobicContact CG-CG2 4.2Å; L112-T146 WeakPolarHBondContact O-CA 3.31Å; L114-T146 HydrophobicContact CD1-CG2 3.66Å; L114-T146 HydrophobicContact CG-CG2 4.25Å; M130-T146 HydrophobicContact CE-CG2 4.08Å; M130-T146 HydrophobicContact CG-CG2 4.36Å; M130-T146 HydrophobicContact SD-CG2 4.23Å; V140-T146 WeakPolarHBondContact CG2-OG1 3.49Å; V140-T146 WeakPolarHBondContact O-CB 3.44Å; V140-T146 PolarHBondContact O-OG1 3.43Å; S142-T146 PolarHBondContact O-N 2.64Å; T146-H168 PolarHBondContact O-ND1 2.58Å; T146-P169 HydrophobicContact CG2-CG 4.38Å
147Y98.5Very high95.9Very high12 Ų1253.9 Ų53.95%0.04727%0.268CS..EExtended strand (participates in β ladder)trans-125.5153.2-178.7-60.6-83000110.6F45 Y111 L112 V113 L114 Q144 L166 G167 H168F45-Y147 HydrophobicContact CE1-CE2 4.28Å; F45-Y147 AromaticContact CZ-CD2 3.98Å; F45-Y147 HydrophobicContact CZ-CD2 3.98Å; F45-Y147 HydrophobicContact CZ-CE2 4.05Å; Y111-Y147 HydrophobicContact CD1-CE2 4.08Å; L112-Y147 PolarHBondContact O-N 3.31Å; V113-Y147 CarbonylContact C-O 3.53Å; V113-Y147 WeakPolarHBondContact CA-O 3.48Å; L114-Y147 PolarHBondContact N-O 3.3Å; Q144-Y147 PolarHBondContact O-OH 2.94Å; Y147-L166 HydrophobicContact CD1-CB 4.26Å; Y147-L166 HydrophobicContact CG-CB 4.47Å; Y147-L166 HydrophobicContact CG-CD1 4.28Å; Y147-G167 CarbonylContact C-O 3.57Å; Y147-G167 WeakPolarHBondContact CA-O 3.24Å; Y147-H168 AromaticContact CD1-CE1 3.95Å
148R98.4Very high95.7Very high0 Ų055.8 Ų55.80%028%0.278CS..EExtended strand (participates in β ladder)trans-118.2122.7177.2177.157.2171.2141.1-11.8110.2L114 L116 D117 E123 G167L114-R148 PolarHBondContact O-NH1 3.47Å; L116-R148 VanDerWaalsContact N-NH1 3.14Å; L116-R148 PolarHBondContact O-NH1 2.81Å; L116-R148 PolarHBondContact O-NH2 3.33Å; D117-R148 PolarHBondContact O-NH2 2.79Å; E123-R148 IonicContact OE1-CZ 2.76Å; E123-R148 VanDerWaalsContact OE1-CZ 3.28Å; E123-R148 IonicContact OE1-NE 3.35Å; E123-R148 PolarHBondContact OE1-NE 3.36Å; E123-R148 IonicContact OE1-NH2 2.82Å; E123-R148 PolarHBondContact OE1-NH2 3.06Å; R148-G167 PolarHBondContact N-O 3Å; R148-G167 PolarHBondContact O-N 3.22Å
149A98.5Very high95.9Very high0 Ų049.4 Ų49.40%024%0.244CC..  trans-85.2127.4170.800000109.7V113 L114 W115 F151 A162 L166V113-A149 HydrophobicContact CG1-CB 4.45Å; L114-A149 PolarHBondContact O-N 3.5Å; W115-A149 HydrophobicContact CD2-CB 3.59Å; W115-A149 HydrophobicContact CE3-CB 3.59Å; W115-A149 HydrophobicContact CG-CB 4.24Å; W115-A149 HydrophobicContact CH2-CB 3.81Å; W115-A149 HydrophobicContact CZ2-CB 3.82Å; W115-A149 HydrophobicContact CZ3-CB 3.69Å; A149-F151 HydrophobicContact CB-CD1 4.43Å; A149-A162 HydrophobicContact CB-CB 4.36Å; A149-L166 HydrophobicContact CB-CD2 3.77Å
150H97.3Very high96Very high101 Ų10146.5 Ų46.547%0.46823%0.225SC..  trans-106.3122.5173.9-70.1-82.2000110.2A162H150-A162 WeakPolarHBondContact O-CB 3.29Å
151F96.4Very high95.9Very high4 Ų451.9 Ų51.92%0.01825%0.248CC..  trans-147.8154.7-178.657.2-79.8000109.9W115 L116 C118 A149 I154 I159 A162 Y325W115-F151 AromaticContact CE3-CD1 3.83Å; W115-F151 HydrophobicContact CE3-CD1 3.83Å; W115-F151 AromaticContact CE3-CE1 3.69Å; W115-F151 HydrophobicContact CE3-CE1 3.69Å; W115-F151 HydrophobicContact CE3-CZ 4.39Å; W115-F151 AromaticContact CZ3-CD1 3.98Å; W115-F151 HydrophobicContact CZ3-CD1 3.98Å; W115-F151 HydrophobicContact CZ3-CE1 4.31Å; L116-F151 WeakPolarHBondContact O-CE1 3.44Å; L116-F151 WeakPolarHBondContact O-CZ 3.4Å; C118-F151 PolarHBondContact SG-N 3.4Å; C118-F151 VanDerWaalsContact SG-N 3.39Å; C118-F151 PolarHBondContact SG-O 2.9Å; A149-F151 HydrophobicContact CB-CD1 4.43Å; F151-I154 HydrophobicContact CD2-CD1 3.77Å; F151-I154 HydrophobicContact CE2-CD1 3.52Å; F151-I159 HydrophobicContact CB-CD1 3.87Å; F151-I159 HydrophobicContact CD2-CD1 3.76Å; F151-I159 HydrophobicContact CE2-CD1 4.46Å; F151-I159 HydrophobicContact CG-CD1 3.8Å; F151-A162 HydrophobicContact CB-CB 4.16Å; F151-Y325 WeakPolarHBondContact CE2-OH 3.22Å
152S94.8Very high96Very high24 Ų2446.2 Ų46.217%0.16823%0.226CC..SBendtrans-121.2-9.1179.6-60.50000112.9D158 S331 Y332 H382 P383S152-D158 PolarHBondContact N-OD2 2.69Å; S152-S331 CarbonylContact O-C 3.59Å; S152-S331 WeakPolarHBondContact O-CA 3.34Å; S152-Y332 WeakPolarHBondContact O-CB 3.43Å; S152-Y332 PolarHBondContact O-N 3.08Å; S152-H382 PolarHBondContact OG-ND1 2.86Å; S152-P383 WeakPolarHBondContact OG-CD 3.41Å
153A94.4Very high96Very high3 Ų345.6 Ų45.63%0.02522%0.219CC..SBendtrans-151.5147.9175.600000112.3T155 D158 M388A153-T155 HydrophobicContact CB-CG2 4.06Å; A153-T155 PolarHBondContact O-N 2.81Å; A153-D158 PolarHBondContact N-OD2 2.88Å; A153-M388 HydrophobicContact CB-CE 3.84Å; A153-M388 HydrophobicContact CB-CG 3.97Å; A153-M388 HydrophobicContact CB-SD 4.38Å
154I94.1Very high96Very high13 Ų1349 Ų497%0.06723%0.232CC..SBendtrans-84.468177.2-45-51000109.9L13 L17 I20 F151 I159 Y325L13-I154 HydrophobicContact CD1-CD1 3.27Å; L13-I154 HydrophobicContact CD1-CG1 3.81Å; L17-I154 HydrophobicContact CD2-CD1 4.49Å; I20-I154 HydrophobicContact CD1-CG2 4.1Å; F151-I154 HydrophobicContact CD2-CD1 3.77Å; F151-I154 HydrophobicContact CE2-CD1 3.52Å; I154-I159 HydrophobicContact CD1-CD1 4.3Å; I154-Y325 HydrophobicContact CD1-CE2 3.88Å; I154-Y325 HydrophobicContact CG1-CD2 4.36Å; I154-Y325 HydrophobicContact CG1-CE2 3.9Å
155T92.1Very high96.1Very high27 Ų2746.7 Ų46.717%0.16623%0.227CC..SBendtrans-125.1154.5179.467.20000111.3A153 K157 D158 I159 M388A153-T155 HydrophobicContact CB-CG2 4.06Å; A153-T155 PolarHBondContact O-N 2.81Å; T155-K157 VanDerWaalsContact C-N 3.28Å; T155-K157 PolarHBondContact O-N 2.91Å; T155-D158 PolarHBondContact O-N 2.72Å; T155-D158 WeakPolarHBondContact OG1-CB 3.21Å; T155-D158 PolarHBondContact OG1-N 2.85Å; T155-I159 WeakPolarHBondContact O-CB 3.42Å; T155-I159 VanDerWaalsContact O-CG1 3.24Å; T155-I159 WeakPolarHBondContact O-CG1 3.48Å; T155-I159 PolarHBondContact O-N 3.17Å; T155-M388 HydrophobicContact CG2-CB 3.81Å; T155-M388 HydrophobicContact CG2-CE 3.79Å; T155-M388 HydrophobicContact CG2-CG 4.42Å
156E93.2Very high96.1Very high115 Ų11546.7 Ų46.754%0.53723%0.226SC..Hα-helixtrans-55.6-43.7180-174175174.200112.7I20 K160I20-E156 HydrophobicContact CG2-CB 4.34Å; I20-E156 HydrophobicContact CG2-CG 4.29Å; E156-K160 HydrophobicContact CG-CD 3.82Å; E156-K160 HydrophobicContact CG-CG 4.45Å; E156-K160 VanDerWaalsContact O-CB 3.26Å; E156-K160 WeakPolarHBondContact O-CB 3.31Å; E156-K160 VanDerWaalsContact O-CG 3.25Å; E156-K160 WeakPolarHBondContact O-CG 3.37Å; E156-K160 PolarHBondContact O-N 3.17Å; E156-K160 VanDerWaalsContact O-N 3.08Å; E156-K160 IonicContact OE1-NZ 3.42Å; E156-K160 PolarHBondContact OE1-NZ 3.31Å
157K92.7Very high96.1Very high158 Ų15847.5 Ų47.569%0.68724%0.236SC*.Hα-helixtrans-60.6-50.9178.4-178.3-179.3178.5-179.60112T155 K161T155-K157 VanDerWaalsContact C-N 3.28Å; T155-K157 PolarHBondContact O-N 2.91Å; K157-K161 WeakPolarHBondContact O-CB 2.93Å; K157-K161 PolarHBondContact O-N 3.26Å
158D94.1Very high96.1Very high41 Ų4150.6 Ų50.622%0.21925%0.25CS..Hα-helixtrans-73.6-41.3-172.3-155.343.9000111.8S152 A153 T155 K161 A162S152-D158 PolarHBondContact N-OD2 2.69Å; A153-D158 PolarHBondContact N-OD2 2.88Å; T155-D158 PolarHBondContact O-N 2.72Å; T155-D158 WeakPolarHBondContact OG1-CB 3.21Å; T155-D158 PolarHBondContact OG1-N 2.85Å; D158-K161 PolarHBondContact O-N 2.72Å; D158-A162 WeakPolarHBondContact O-CB 3.48Å; D158-A162 PolarHBondContact O-N 2.92Å
159I97.5Very high96.1Very high0 Ų051.6 Ų51.60%026%0.257CS..Hα-helixtrans-69.4-40.7179.7-61.7-50.4000111.9L17 I20 L21 W115 F151 I154 T155 A162 M163L17-I159 HydrophobicContact CD2-CB 4.44Å; L17-I159 HydrophobicContact CD2-CD1 3.34Å; L17-I159 HydrophobicContact CD2-CG1 3.74Å; L17-I159 HydrophobicContact CD2-CG2 3.83Å; I20-I159 HydrophobicContact CB-CG2 4.38Å; I20-I159 HydrophobicContact CD1-CB 4.48Å; I20-I159 HydrophobicContact CD1-CG1 4.09Å; I20-I159 HydrophobicContact CG2-CB 4.02Å; I20-I159 HydrophobicContact CG2-CG2 3.91Å; L21-I159 HydrophobicContact CD1-CG2 4.38Å; L21-I159 HydrophobicContact CD2-CG2 3.8Å; L21-I159 HydrophobicContact CG-CG2 3.87Å; W115-I159 HydrophobicContact CH2-CG2 3.83Å; W115-I159 HydrophobicContact CZ3-CD1 3.98Å; W115-I159 HydrophobicContact CZ3-CG2 3.84Å; F151-I159 HydrophobicContact CB-CD1 3.87Å; F151-I159 HydrophobicContact CD2-CD1 3.76Å; F151-I159 HydrophobicContact CE2-CD1 4.46Å; F151-I159 HydrophobicContact CG-CD1 3.8Å; I154-I159 HydrophobicContact CD1-CD1 4.3Å; T155-I159 WeakPolarHBondContact O-CB 3.42Å; T155-I159 VanDerWaalsContact O-CG1 3.24Å; T155-I159 WeakPolarHBondContact O-CG1 3.48Å; T155-I159 PolarHBondContact O-N 3.17Å; I159-A162 PolarHBondContact O-N 3.15Å; I159-M163 PolarHBondContact O-N 3.47Å; I159-M163 VanDerWaalsContact O-N 3.12Å
160K96.7Very high96Very high63 Ų6354 Ų5427%0.27427%0.27SS..Hα-helixtrans-65.1-42.7175.4-72.8-178.4175.3179.10111.3N23 E156 A162 M163 E164N23-K160 PolarHBondContact OD1-NZ 3.43Å; E156-K160 HydrophobicContact CG-CD 3.82Å; E156-K160 HydrophobicContact CG-CG 4.45Å; E156-K160 VanDerWaalsContact O-CB 3.26Å; E156-K160 WeakPolarHBondContact O-CB 3.31Å; E156-K160 VanDerWaalsContact O-CG 3.25Å; E156-K160 WeakPolarHBondContact O-CG 3.37Å; E156-K160 PolarHBondContact O-N 3.17Å; E156-K160 VanDerWaalsContact O-N 3.08Å; E156-K160 IonicContact OE1-NZ 3.42Å; E156-K160 PolarHBondContact OE1-NZ 3.31Å; K160-A162 VanDerWaalsContact C-N 3.35Å; K160-A162 PolarHBondContact O-N 3.18Å; K160-M163 WeakPolarHBondContact O-CB 3.21Å; K160-M163 PolarHBondContact O-N 3.06Å; K160-E164 WeakPolarHBondContact O-CG 3.42Å; K160-E164 PolarHBondContact O-N 3.14Å; K160-E164 VanDerWaalsContact O-N 3.15Å
161K96.1Very high96Very high116 Ų11653.9 Ų53.950%0.50427%0.269SS..Hα-helixtrans-60.2-42.8174.1-175.8-174.8175.2-167.40112.2K157 D158 M163 E164 T165K157-K161 WeakPolarHBondContact O-CB 2.93Å; K157-K161 PolarHBondContact O-N 3.26Å; D158-K161 PolarHBondContact O-N 2.72Å; K161-M163 VanDerWaalsContact C-N 3.28Å; K161-M163 PolarHBondContact O-N 2.77Å; K161-E164 PolarHBondContact O-N 3.12Å; K161-E164 VanDerWaalsContact O-N 3.14Å; K161-T165 PolarHBondContact O-N 3.36Å; K161-T165 PolarHBondContact O-OG1 3.42Å
162A97.7Very high96.1Very high2 Ų256.7 Ų56.72%0.01728%0.284CS..Hα-helixtrans-60.1-38.9177.400000112.1W115 A149 H150 F151 D158 I159 K160 E164 T165 L166W115-A162 HydrophobicContact CH2-CB 3.97Å; W115-A162 HydrophobicContact CZ3-CB 4.01Å; A149-A162 HydrophobicContact CB-CB 4.36Å; H150-A162 WeakPolarHBondContact O-CB 3.29Å; F151-A162 HydrophobicContact CB-CB 4.16Å; D158-A162 WeakPolarHBondContact O-CB 3.48Å; D158-A162 PolarHBondContact O-N 2.92Å; I159-A162 PolarHBondContact O-N 3.15Å; K160-A162 VanDerWaalsContact C-N 3.35Å; K160-A162 PolarHBondContact O-N 3.18Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-E164 PolarHBondContact O-N 2.99Å; A162-T165 PolarHBondContact O-N 2.98Å; A162-L166 WeakPolarHBondContact O-CD2 3.25Å; A162-L166 PolarHBondContact O-N 2.95Å
163M97.5Very high96.2Very high34 Ų3458.2 Ų58.217%0.16729%0.289CS..Hα-helixtrans-67.9-31.4176.1-170.262.4176.400113.2L21 F45 F53 W115 I159 K160 K161 L166L21-M163 HydrophobicContact CD2-CB 3.95Å; L21-M163 HydrophobicContact CD2-CG 4.13Å; F45-M163 HydrophobicContact CD2-CE 3.56Å; F45-M163 HydrophobicContact CE2-CE 3.87Å; F53-M163 HydrophobicContact CE1-CE 3.48Å; F53-M163 VanDerWaalsContact CE1-CE 3.48Å; F53-M163 HydrophobicContact CZ-CE 3.48Å; F53-M163 VanDerWaalsContact CZ-CE 3.48Å; W115-M163 HydrophobicContact CH2-CB 4.3Å; W115-M163 HydrophobicContact CZ2-CB 4.24Å; W115-M163 HydrophobicContact CZ2-SD 3.88Å; I159-M163 PolarHBondContact O-N 3.47Å; I159-M163 VanDerWaalsContact O-N 3.12Å; K160-M163 WeakPolarHBondContact O-CB 3.21Å; K160-M163 PolarHBondContact O-N 3.06Å; K161-M163 VanDerWaalsContact C-N 3.28Å; K161-M163 PolarHBondContact O-N 2.77Å; M163-L166 WeakPolarHBondContact O-CG 3.48Å; M163-L166 HydrophobicContact SD-CD1 4.29Å
164E96.2Very high96.3Very high158 Ų15858.2 Ų58.274%0.73829%0.289SS*.Hα-helixtrans-78.3-26.6177.4-69.7167.7-176.800112.9K160 K161 A162K160-E164 WeakPolarHBondContact O-CG 3.42Å; K160-E164 PolarHBondContact O-N 3.14Å; K160-E164 VanDerWaalsContact O-N 3.15Å; K161-E164 PolarHBondContact O-N 3.12Å; K161-E164 VanDerWaalsContact O-N 3.14Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-E164 PolarHBondContact O-N 2.99Å
165T96.5Very high96.5Very high89 Ų8960.5 Ų60.555%0.54630%0.299SS..SBendtrans-119.537.8-171.855.20000113.1K161 A162 G167K161-T165 PolarHBondContact O-N 3.36Å; K161-T165 PolarHBondContact O-OG1 3.42Å; A162-T165 PolarHBondContact O-N 2.98Å; T165-G167 PolarHBondContact O-N 3.48Å
166L97.8Very high96.7Very high18 Ų1859.5 Ų59.59%0.09429%0.292CS..  trans-55.3129.1-179.6-69175.1000112.9F45 V113 Y147 A149 A162 M163F45-L166 HydrophobicContact CE2-CD1 3.78Å; F45-L166 HydrophobicContact CZ-CD1 4.22Å; V113-L166 HydrophobicContact CG1-CD1 4.16Å; V113-L166 HydrophobicContact CG1-CD2 3.61Å; V113-L166 HydrophobicContact CG2-CD1 4.35Å; Y147-L166 HydrophobicContact CD1-CB 4.26Å; Y147-L166 HydrophobicContact CG-CB 4.47Å; Y147-L166 HydrophobicContact CG-CD1 4.28Å; A149-L166 HydrophobicContact CB-CD2 3.77Å; A162-L166 WeakPolarHBondContact O-CD2 3.25Å; A162-L166 PolarHBondContact O-N 2.95Å; M163-L166 WeakPolarHBondContact O-CG 3.48Å; M163-L166 HydrophobicContact SD-CD1 4.29Å
167G97.5Very high96.9Very high20 Ų2054.2 Ų54.221%0.20627%0.268CS..BIsolated β-bridgetrans-103.2-148.917300000112.6Y147 R148 T165Y147-G167 CarbonylContact C-O 3.57Å; Y147-G167 WeakPolarHBondContact CA-O 3.24Å; R148-G167 PolarHBondContact N-O 3Å; R148-G167 PolarHBondContact O-N 3.22Å; T165-G167 PolarHBondContact O-N 3.48Å
168H98Very high97Very high77 Ų7748.4 Ų48.436%0.35624%0.244SC..  trans-132.2147.7-179.5-58.7-62.7000110.7D143 T146 Y147D143-H168 VanDerWaalsContact CB-CE1 3.46Å; D143-H168 WeakPolarHBondContact CB-CE1 3.36Å; D143-H168 PolarHBondContact O-CE1 3.37Å; D143-H168 IonicContact OD1-CG 2.76Å; D143-H168 IonicContact OD1-ND1 3.7Å; T146-H168 PolarHBondContact O-ND1 2.58Å; Y147-H168 AromaticContact CD1-CE1 3.95Å
169P98.1Very high97.1Very high21 Ų2146.4 Ų46.414%0.13623%0.234CC..  trans-65.9143.9-178.328.2-35000111.8L114 C126 F127 M130 T146L114-P169 HydrophobicContact CD1-CB 3.94Å; L114-P169 HydrophobicContact CD1-CG 3.94Å; C126-P169 HydrophobicContact CB-CB 4.25Å; F127-P169 HydrophobicContact CE2-CB 3.85Å; F127-P169 HydrophobicContact CZ-CB 3.99Å; F127-P169 HydrophobicContact CZ-CG 4.19Å; M130-P169 HydrophobicContact CE-CG 4.31Å; M130-P169 HydrophobicContact SD-CG 3.88Å; T146-P169 HydrophobicContact CG2-CG 4.38Å
170N97.2Very high97.1Very high50 Ų5048.7 Ų48.727%0.26724%0.242SC..  trans-94.2102.8-175.2-172.7-9.5000112E123 N172 E173 A174E123-N170 PolarHBondContact OE2-N 3.32Å; N170-N172 VanDerWaalsContact C-N 3.26Å; N170-N172 PolarHBondContact O-N 3.3Å; N170-N172 WeakPolarHBondContact OD1-CB 3.26Å; N170-N172 PolarHBondContact OD1-N 2.73Å; N170-E173 HydrophobicContact CB-CB 4.23Å; N170-E173 HydrophobicContact CB-CG 4.4Å; N170-E173 VanDerWaalsContact ND2-CD 3.33Å; N170-E173 WeakPolarHBondContact ND2-CG 3.42Å; N170-E173 PolarHBondContact ND2-OE1 3.39Å; N170-E173 PolarHBondContact O-N 3.46Å; N170-A174 PolarHBondContact O-N 3.3Å
171E97.4Very high97Very high98 Ų9847.3 Ų47.346%0.45824%0.237SC..Hα-helixtrans-64.9-29.1-178.5-159.6-166.4178.800113F127 A174 K175F127-E171 HydrophobicContact CD1-CG 4.31Å; F127-E171 HydrophobicContact CE1-CB 3.85Å; F127-E171 HydrophobicContact CE1-CG 3.7Å; F127-E171 HydrophobicContact CE2-CB 4.27Å; F127-E171 HydrophobicContact CZ-CB 3.53Å; F127-E171 HydrophobicContact CZ-CG 3.88Å; E171-A174 PolarHBondContact O-N 3.24Å; E171-K175 VanDerWaalsContact CD-CE 3.42Å; E171-K175 HydrophobicContact CG-CD 4.31Å; E171-K175 WeakPolarHBondContact O-CB 3.47Å; E171-K175 VanDerWaalsContact O-CG 3.28Å; E171-K175 WeakPolarHBondContact O-CG 3.37Å; E171-K175 PolarHBondContact O-N 3.48Å; E171-K175 WeakPolarHBondContact OE1-CE 3.28Å; E171-K175 IonicContact OE1-NZ 2.76Å; E171-K175 PolarHBondContact OE1-NZ 3.01Å; E171-K175 IonicContact OE2-NZ 3.67Å; E171-K175 PolarHBondContact OE2-NZ 3.44Å
172N98Very high97Very high63 Ų6343 Ų4334%0.33722%0.219SC..Hα-helixtrans-69.6-43.3-179.7-73-30000111.3N170 K175 S176 I566 A567 G569N170-N172 VanDerWaalsContact C-N 3.26Å; N170-N172 PolarHBondContact O-N 3.3Å; N170-N172 WeakPolarHBondContact OD1-CB 3.26Å; N170-N172 PolarHBondContact OD1-N 2.73Å; N172-K175 PolarHBondContact O-N 2.61Å; N172-S176 PolarHBondContact O-N 3.38Å; N172-I566 WeakPolarHBondContact CB-O 3.32Å; N172-A567 WeakPolarHBondContact CB-O 3.21Å; N172-G569 WeakPolarHBondContact ND2-CA 3.42Å
173E96.7Very high96.9Very high56 Ų5642.9 Ų42.926%0.26222%0.218SC..Hα-helixtrans-62.2-45.6173.1-78.5174.8-14200111.3K120 E123 N170 K175 S176 V177 A567K120-E173 HydrophobicContact CG-CB 4.47Å; K120-E173 HydrophobicContact CG-CG 4.36Å; E123-E173 HydrophobicContact CB-CB 4.17Å; E123-E173 HydrophobicContact CG-CB 4.32Å; E123-E173 WeakPolarHBondContact CG-OE2 3.34Å; N170-E173 HydrophobicContact CB-CB 4.23Å; N170-E173 HydrophobicContact CB-CG 4.4Å; N170-E173 VanDerWaalsContact ND2-CD 3.33Å; N170-E173 WeakPolarHBondContact ND2-CG 3.42Å; N170-E173 PolarHBondContact ND2-OE1 3.39Å; N170-E173 PolarHBondContact O-N 3.46Å; E173-K175 VanDerWaalsContact C-N 3.32Å; E173-K175 PolarHBondContact O-N 2.74Å; E173-S176 WeakPolarHBondContact O-CB 3.47Å; E173-S176 PolarHBondContact O-N 2.8Å; E173-S176 PolarHBondContact O-OG 3.4Å; E173-V177 PolarHBondContact O-N 3.02Å; E173-A567 HydrophobicContact CG-CB 3.95Å
174A97.5Very high96.8Very high4 Ų443 Ų433%0.03322%0.219CC..Hα-helixtrans-57.9-43.1175.400000112.5N124 F127 N170 E171 S176 V177 D178N124-A174 HydrophobicContact CB-CB 4.48Å; N124-A174 PolarHBondContact ND2-O 2.84Å; F127-A174 HydrophobicContact CD2-CB 3.36Å; F127-A174 HydrophobicContact CE2-CB 3.77Å; F127-A174 HydrophobicContact CG-CB 4.1Å; N170-A174 PolarHBondContact O-N 3.3Å; E171-A174 PolarHBondContact O-N 3.24Å; A174-S176 VanDerWaalsContact C-N 3.31Å; A174-S176 PolarHBondContact O-N 2.89Å; A174-V177 PolarHBondContact O-N 2.74Å; A174-D178 PolarHBondContact O-N 3.3Å; A174-D178 VanDerWaalsContact O-N 3.08Å
175K97.7Very high96.8Very high61 Ų6137 Ų3727%0.26519%0.192SC..Hα-helixtrans-63.9-33.6175.4-78.3169.2-179158.70112.6E171 N172 E173 V177 D178 A179 I566 F573E171-K175 VanDerWaalsContact CD-CE 3.42Å; E171-K175 HydrophobicContact CG-CD 4.31Å; E171-K175 WeakPolarHBondContact O-CB 3.47Å; E171-K175 VanDerWaalsContact O-CG 3.28Å; E171-K175 WeakPolarHBondContact O-CG 3.37Å; E171-K175 PolarHBondContact O-N 3.48Å; E171-K175 WeakPolarHBondContact OE1-CE 3.28Å; E171-K175 IonicContact OE1-NZ 2.76Å; E171-K175 PolarHBondContact OE1-NZ 3.01Å; E171-K175 IonicContact OE2-NZ 3.67Å; E171-K175 PolarHBondContact OE2-NZ 3.44Å; N172-K175 PolarHBondContact O-N 2.61Å; E173-K175 VanDerWaalsContact C-N 3.32Å; E173-K175 PolarHBondContact O-N 2.74Å; K175-V177 VanDerWaalsContact C-N 3.33Å; K175-D178 PolarHBondContact O-N 3.44Å; K175-A179 WeakPolarHBondContact O-CB 3.41Å; K175-A179 PolarHBondContact O-N 2.78Å; K175-I566 HydrophobicContact CB-CG2 3.97Å; K175-F573 HydrophobicContact CB-CB 4.32Å; K175-F573 HydrophobicContact CB-CD2 4.02Å; K175-F573 HydrophobicContact CB-CG 4.3Å; K175-F573 HydrophobicContact CD-CB 4.41Å; K175-F573 VanDerWaalsContact O-CD2 3.24Å; K175-F573 WeakPolarHBondContact O-CD2 3.47Å; K175-F573 WeakPolarHBondContact O-CE2 3.5Å
176S96.9Very high96.9Very high5 Ų533.5 Ų33.54%0.03517%0.169CC..Hα-helixtrans-64.1-39.3175.978.70000111.9N172 E173 A174 A179 R180 L563N172-S176 PolarHBondContact O-N 3.38Å; E173-S176 WeakPolarHBondContact O-CB 3.47Å; E173-S176 PolarHBondContact O-N 2.8Å; E173-S176 PolarHBondContact O-OG 3.4Å; A174-S176 VanDerWaalsContact C-N 3.31Å; A174-S176 PolarHBondContact O-N 2.89Å; S176-A179 PolarHBondContact O-N 3.48Å; S176-R180 PolarHBondContact O-N 3.34Å; S176-L563 WeakPolarHBondContact CB-O 3.4Å
177V96.2Very high96.8Very high4 Ų432.8 Ų32.82%0.02417%0.165CC..Hα-helixtrans-67.3-44.6174.7173.20000111.3K120 E121 N124 E173 A174 K175 A179 R180 Q181K120-V177 HydrophobicContact CB-CG2 3.79Å; K120-V177 VanDerWaalsContact O-CG2 3.29Å; K120-V177 WeakPolarHBondContact O-CG2 3.24Å; E121-V177 WeakPolarHBondContact OE2-CG1 3.48Å; N124-V177 HydrophobicContact CB-CB 3.78Å; N124-V177 HydrophobicContact CB-CG1 3.71Å; N124-V177 HydrophobicContact CB-CG2 4.16Å; E173-V177 PolarHBondContact O-N 3.02Å; A174-V177 PolarHBondContact O-N 2.74Å; K175-V177 VanDerWaalsContact C-N 3.33Å; V177-A179 PolarHBondContact O-N 3.1Å; V177-R180 WeakPolarHBondContact O-CB 3.35Å; V177-R180 PolarHBondContact O-N 3.4Å; V177-Q181 HydrophobicContact CG1-CG 4.27Å; V177-Q181 WeakPolarHBondContact O-CG 3.03Å; V177-Q181 PolarHBondContact O-N 2.9Å
178D96.5Very high96.8Very high36 Ų3632.3 Ų32.319%0.19316%0.16CC..Hα-helixtrans-57.4-40.5175.5-81-11.6000111.3K89 N124 A174 K175 Q181 E182 F573K89-D178 WeakPolarHBondContact CE-OD1 3.04Å; K89-D178 VanDerWaalsContact NZ-CG 3.25Å; K89-D178 IonicContact NZ-OD1 2.68Å; K89-D178 PolarHBondContact NZ-OD1 3.41Å; K89-D178 IonicContact NZ-OD2 3.42Å; K89-D178 PolarHBondContact NZ-OD2 2.92Å; N124-D178 PolarHBondContact ND2-OD1 2.68Å; A174-D178 PolarHBondContact O-N 3.3Å; A174-D178 VanDerWaalsContact O-N 3.08Å; K175-D178 PolarHBondContact O-N 3.44Å; D178-Q181 PolarHBondContact O-N 3.41Å; D178-E182 WeakPolarHBondContact O-CB 3.35Å; D178-E182 PolarHBondContact O-N 3.18Å; D178-F573 HydrophobicContact CB-CE2 4.03Å; D178-F573 HydrophobicContact CB-CZ 4.37Å
179A96.2Very high96.7Very high0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-65.6-45.2178.500000110.9K175 S176 V177 E182 L183 L563 I566 F573K175-A179 WeakPolarHBondContact O-CB 3.41Å; K175-A179 PolarHBondContact O-N 2.78Å; S176-A179 PolarHBondContact O-N 3.48Å; V177-A179 PolarHBondContact O-N 3.1Å; A179-E182 PolarHBondContact O-N 3.19Å; A179-L183 WeakPolarHBondContact O-CB 3.14Å; A179-L183 VanDerWaalsContact O-CG 3.25Å; A179-L183 WeakPolarHBondContact O-CG 3.27Å; A179-L183 PolarHBondContact O-N 2.82Å; A179-L563 HydrophobicContact CB-CD2 3.5Å; A179-I566 HydrophobicContact CB-CD1 3.87Å; A179-F573 HydrophobicContact CB-CD2 3.78Å; A179-F573 HydrophobicContact CB-CE2 3.62Å
180R95.6Very high96.6Very high47 Ų4729 Ų2918%0.17715%0.146CC..Hα-helixtrans-58.8-50.2176.3-171.6-17657.370.44.1111.3E121 S176 V177 E182 L183 D184 L563E121-R180 IonicContact OE1-CZ 2.82Å; E121-R180 IonicContact OE1-NE 2.72Å; E121-R180 IonicContact OE1-NH2 3.34Å; E121-R180 PolarHBondContact OE1-NH2 2.86Å; E121-R180 IonicContact OE2-NH2 3.37Å; E121-R180 PolarHBondContact OE2-NH2 3.02Å; S176-R180 PolarHBondContact O-N 3.34Å; V177-R180 WeakPolarHBondContact O-CB 3.35Å; V177-R180 PolarHBondContact O-N 3.4Å; R180-E182 VanDerWaalsContact C-N 3.31Å; R180-E182 PolarHBondContact O-N 3.35Å; R180-L183 PolarHBondContact O-N 3.3Å; R180-D184 IonicContact NH1-OD2 3.56Å; R180-D184 WeakPolarHBondContact O-CB 3.38Å; R180-D184 VanDerWaalsContact O-CG 3.25Å; R180-D184 PolarHBondContact O-N 3.47Å; R180-L563 HydrophobicContact CB-CD1 3.73Å; R180-L563 HydrophobicContact CB-CD2 4.36Å; R180-L563 HydrophobicContact CG-CD1 3.89Å
181Q95.2Very high96.7Very high35 Ų3526.6 Ų26.616%0.16413%0.133CC..Hα-helixtrans-58.8-42.9179.1-71.3-1793.300111.5V177 D178 L185V177-Q181 HydrophobicContact CG1-CG 4.27Å; V177-Q181 WeakPolarHBondContact O-CG 3.03Å; V177-Q181 PolarHBondContact O-N 2.9Å; D178-Q181 PolarHBondContact O-N 3.41Å; Q181-L185 WeakPolarHBondContact O-CB 3.48Å; Q181-L185 PolarHBondContact O-N 2.99Å
182E96.6Very high96.6Very high24 Ų2422.6 Ų22.611%0.11212%0.115CC..Hα-helixtrans-69.6-42.7179.8-170.6164.917100113L65 D178 A179 R180 R186 L577L65-E182 VanDerWaalsContact CD2-CA 3.47Å; L65-E182 HydrophobicContact CD2-CB 3.59Å; L65-E182 HydrophobicContact CD2-CG 3.96Å; D178-E182 WeakPolarHBondContact O-CB 3.35Å; D178-E182 PolarHBondContact O-N 3.18Å; A179-E182 PolarHBondContact O-N 3.19Å; R180-E182 VanDerWaalsContact C-N 3.31Å; R180-E182 PolarHBondContact O-N 3.35Å; E182-R186 HydrophobicContact CG-CG 4.32Å; E182-R186 WeakPolarHBondContact O-CB 3.37Å; E182-R186 VanDerWaalsContact O-CG 3.24Å; E182-R186 WeakPolarHBondContact O-CG 3.2Å; E182-R186 PolarHBondContact O-N 3.32Å; E182-R186 IonicContact OE1-CZ 2.72Å; E182-R186 IonicContact OE1-NE 2.94Å; E182-R186 PolarHBondContact OE1-NE 3.27Å; E182-R186 IonicContact OE1-NH2 3.28Å; E182-R186 PolarHBondContact OE1-NH2 3.12Å; E182-L577 HydrophobicContact CB-CD1 3.99Å; E182-L577 HydrophobicContact CG-CD1 3.92Å; E182-L577 HydrophobicContact CG-CD2 4.38Å
183L96.1Very high96.5Very high1 Ų120.3 Ų20.31%0.00510%0.102CC..Hα-helixtrans-61.8-50.5175.6-71.6174.6000111.3A179 R180 L185 R186 I187 V559 L563 L577 A580 I581A179-L183 WeakPolarHBondContact O-CB 3.14Å; A179-L183 VanDerWaalsContact O-CG 3.25Å; A179-L183 WeakPolarHBondContact O-CG 3.27Å; A179-L183 PolarHBondContact O-N 2.82Å; R180-L183 PolarHBondContact O-N 3.3Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L183-L185 PolarHBondContact O-N 3.44Å; L183-R186 PolarHBondContact O-N 2.88Å; L183-I187 HydrophobicContact CB-CD1 4.23Å; L183-I187 HydrophobicContact CD2-CD1 4.39Å; L183-I187 VanDerWaalsContact O-CB 3.29Å; L183-I187 WeakPolarHBondContact O-CB 3.06Å; L183-I187 WeakPolarHBondContact O-CD1 3.5Å; L183-I187 WeakPolarHBondContact O-CG1 3.43Å; L183-I187 PolarHBondContact O-N 3.18Å; L183-V559 HydrophobicContact CD1-CG1 3.77Å; L183-L563 HydrophobicContact CD1-CD2 4.48Å; L183-L577 HydrophobicContact CD2-CD1 3.84Å; L183-L577 HydrophobicContact CG-CD1 3.93Å; L183-A580 HydrophobicContact CD1-CB 4.07Å; L183-A580 HydrophobicContact CD2-CB 3.61Å; L183-I581 HydrophobicContact CD2-CG1 3.85Å
184D95.2Very high96.4Very high36 Ų3619.1 Ų19.119%0.19310%0.096CC..Hα-helixtrans-62.4-41-178.7-69.3-14.3000111.2R180 G188 P215 R556R180-D184 IonicContact NH1-OD2 3.56Å; R180-D184 WeakPolarHBondContact O-CB 3.38Å; R180-D184 VanDerWaalsContact O-CG 3.25Å; R180-D184 PolarHBondContact O-N 3.47Å; D184-G188 WeakPolarHBondContact O-CA 3.4Å; D184-G188 PolarHBondContact O-N 2.66Å; D184-P215 VanDerWaalsContact OD1-CG 3.23Å; D184-P215 WeakPolarHBondContact OD1-CG 3.41Å; D184-R556 IonicContact OD1-CZ 3.93Å; D184-R556 IonicContact OD1-NH1 2.64Å; D184-R556 PolarHBondContact OD1-NH1 3.45Å; D184-R556 IonicContact OD1-NH2 3.9Å
185L96.1Very high96.3Very high32 Ų3218.9 Ų18.917%0.1689%0.094CC..Hα-helixtrans-62.9-52.3176.2176.267000111.8L65 F67 T87 Q181 L183 C189L65-L185 HydrophobicContact CB-CD2 4.42Å; L65-L185 HydrophobicContact CD2-CD2 4.07Å; L65-L185 HydrophobicContact CG-CD2 4Å; F67-L185 HydrophobicContact CD1-CD2 4.47Å; F67-L185 HydrophobicContact CE1-CD2 4.24Å; F67-L185 HydrophobicContact CE1-CG 4.23Å; F67-L185 HydrophobicContact CE2-CD1 3.94Å; F67-L185 HydrophobicContact CE2-CD2 4.41Å; F67-L185 HydrophobicContact CE2-CG 3.96Å; F67-L185 HydrophobicContact CZ-CD1 4.24Å; F67-L185 HydrophobicContact CZ-CD2 4.22Å; F67-L185 HydrophobicContact CZ-CG 3.76Å; T87-L185 HydrophobicContact CG2-CD2 4.32Å; Q181-L185 WeakPolarHBondContact O-CB 3.48Å; Q181-L185 PolarHBondContact O-N 2.99Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L183-L185 PolarHBondContact O-N 3.44Å; L185-C189 WeakPolarHBondContact O-CB 3.3Å; L185-C189 PolarHBondContact O-N 3.04Å; L185-C189 PolarHBondContact O-SG 2.88Å; L185-C189 VanDerWaalsContact O-SG 3.33Å
186R97.3Very high96Very high16 Ų1616.8 Ų16.86%0.069%0.087CC..Hα-helixtrans-65-53-175.2-72.7178.4-179.1-74.23.3111.5F67 L82 C85 E182 L183 A190F67-R186 HydrophobicContact CE1-CG 4.11Å; L82-R186 PolarHBondContact O-NH1 3.23Å; C85-R186 VanDerWaalsContact O-CZ 3.31Å; C85-R186 PolarHBondContact O-NH1 3.27Å; C85-R186 PolarHBondContact O-NH2 3.33Å; E182-R186 HydrophobicContact CG-CG 4.32Å; E182-R186 WeakPolarHBondContact O-CB 3.37Å; E182-R186 VanDerWaalsContact O-CG 3.24Å; E182-R186 WeakPolarHBondContact O-CG 3.2Å; E182-R186 PolarHBondContact O-N 3.32Å; E182-R186 IonicContact OE1-CZ 2.72Å; E182-R186 IonicContact OE1-NE 2.94Å; E182-R186 PolarHBondContact OE1-NE 3.27Å; E182-R186 IonicContact OE1-NH2 3.28Å; E182-R186 PolarHBondContact OE1-NH2 3.12Å; L183-R186 PolarHBondContact O-N 2.88Å; R186-A190 VanDerWaalsContact O-CB 3.29Å; R186-A190 WeakPolarHBondContact O-CB 3.28Å; R186-A190 PolarHBondContact O-N 3.09Å
187I97.2Very high95.7Very high2 Ų221.8 Ų21.81%0.0111%0.108CC..Hα-helixtrans-66.9-50.2-177.2-59.4164.9000109.1F83 L183 C189 A190 F191 Y213 P215 F584F83-I187 HydrophobicContact CE1-CG1 4.31Å; L183-I187 HydrophobicContact CB-CD1 4.23Å; L183-I187 HydrophobicContact CD2-CD1 4.39Å; L183-I187 VanDerWaalsContact O-CB 3.29Å; L183-I187 WeakPolarHBondContact O-CB 3.06Å; L183-I187 WeakPolarHBondContact O-CD1 3.5Å; L183-I187 WeakPolarHBondContact O-CG1 3.43Å; L183-I187 PolarHBondContact O-N 3.18Å; I187-C189 PolarHBondContact O-N 3.43Å; I187-A190 PolarHBondContact O-N 3.07Å; I187-F191 HydrophobicContact CG2-CD2 3.97Å; I187-F191 HydrophobicContact CG2-CE2 4.1Å; I187-F191 WeakPolarHBondContact O-CD2 3.25Å; I187-F191 PolarHBondContact O-N 3.31Å; I187-Y213 HydrophobicContact CG2-CD1 4.16Å; I187-Y213 HydrophobicContact CG2-CE1 3.65Å; I187-P215 HydrophobicContact CG2-CB 4.42Å; I187-F584 HydrophobicContact CD1-CB 4Å; I187-F584 HydrophobicContact CD1-CD1 4.02Å; I187-F584 HydrophobicContact CD1-CD2 3.37Å; I187-F584 HydrophobicContact CD1-CE1 4.34Å; I187-F584 HydrophobicContact CD1-CE2 3.75Å; I187-F584 HydrophobicContact CD1-CG 3.52Å; I187-F584 HydrophobicContact CD1-CZ 4.22Å; I187-F584 HydrophobicContact CG1-CB 3.84Å; I187-F584 HydrophobicContact CG1-CD1 4.28Å; I187-F584 HydrophobicContact CG1-CD2 4.19Å; I187-F584 HydrophobicContact CG1-CG 3.85Å; I187-F584 HydrophobicContact CG2-CB 4.45Å; I187-F584 HydrophobicContact CG2-CD1 3.68Å; I187-F584 HydrophobicContact CG2-CE1 4.12Å; I187-F584 HydrophobicContact CG2-CG 4.13Å
188G96.3Very high95.5Very high11 Ų1124 Ų2411%0.11312%0.117CC..Hα-helixtrans-58.7-48.7-178.200000112.1D184 T192 Y213D184-G188 WeakPolarHBondContact O-CA 3.4Å; D184-G188 PolarHBondContact O-N 2.66Å; G188-T192 WeakPolarHBondContact O-CB 3.2Å; G188-T192 PolarHBondContact O-N 3.46Å; G188-T192 PolarHBondContact O-OG1 2.92Å; G188-Y213 VanDerWaalsContact CA-O 3.31Å; G188-Y213 WeakPolarHBondContact CA-O 3.44Å
189C96.1Very high95.2Very high27 Ų2722.4 Ų22.418%0.18211%0.108CC..Hα-helixtrans-67.9-40.2179.3-71.50000113F67 L82 L185 I187 R193F67-C189 HydrophobicContact CE2-CB 3.74Å; F67-C189 HydrophobicContact CZ-CB 4.06Å; L82-C189 HydrophobicContact CD1-CB 3.87Å; L185-C189 WeakPolarHBondContact O-CB 3.3Å; L185-C189 PolarHBondContact O-N 3.04Å; L185-C189 PolarHBondContact O-SG 2.88Å; L185-C189 VanDerWaalsContact O-SG 3.33Å; I187-C189 PolarHBondContact O-N 3.43Å; C189-R193 VanDerWaalsContact O-CB 3.24Å; C189-R193 WeakPolarHBondContact O-CB 3.32Å; C189-R193 WeakPolarHBondContact O-CG 3.24Å; C189-R193 PolarHBondContact O-N 2.84Å
190A97.4Very high94.7Very high0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-60.7-53.4-179.100000111.7P79 L82 F83 R186 I187 F194 F588P79-A190 WeakPolarHBondContact CB-O 3.46Å; L82-A190 HydrophobicContact CB-CB 4.39Å; F83-A190 HydrophobicContact CD2-CB 4.08Å; F83-A190 HydrophobicContact CE2-CB 3.36Å; F83-A190 HydrophobicContact CZ-CB 3.72Å; R186-A190 VanDerWaalsContact O-CB 3.29Å; R186-A190 WeakPolarHBondContact O-CB 3.28Å; R186-A190 PolarHBondContact O-N 3.09Å; I187-A190 PolarHBondContact O-N 3.07Å; A190-F194 WeakPolarHBondContact O-CB 3.47Å; A190-F194 PolarHBondContact O-N 2.92Å; A190-F588 HydrophobicContact CB-CD2 4.29Å; A190-F588 HydrophobicContact CB-CE2 4.22Å; A190-F588 WeakPolarHBondContact O-CE2 3.5Å
191F97.9Very high93.9Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-66.7-41.8178.9-80.8-93.5000112.4F83 I187 Q195 Y213 L550 F588 F591F83-F191 HydrophobicContact CZ-CE2 4.28Å; I187-F191 HydrophobicContact CG2-CD2 3.97Å; I187-F191 HydrophobicContact CG2-CE2 4.1Å; I187-F191 WeakPolarHBondContact O-CD2 3.25Å; I187-F191 PolarHBondContact O-N 3.31Å; F191-Q195 WeakPolarHBondContact O-CG 3.49Å; F191-Q195 PolarHBondContact O-N 3.49Å; F191-Q195 VanDerWaalsContact O-N 3.14Å; F191-Q195 PolarHBondContact O-NE2 2.89Å; F191-Y213 VanDerWaalsContact CB-CB 3.42Å; F191-Y213 HydrophobicContact CB-CD1 3.57Å; F191-Y213 HydrophobicContact CB-CD2 4.47Å; F191-Y213 HydrophobicContact CB-CE1 4.49Å; F191-Y213 HydrophobicContact CB-CG 3.56Å; F191-Y213 HydrophobicContact CD1-CD1 4.41Å; F191-Y213 HydrophobicContact CD1-CG 4.32Å; F191-Y213 AromaticContact CD2-CD1 3.88Å; F191-Y213 HydrophobicContact CD2-CD1 3.88Å; F191-Y213 HydrophobicContact CD2-CE1 4.02Å; F191-Y213 HydrophobicContact CE2-CE1 4.4Å; F191-Y213 AromaticContact CG-CD1 3.72Å; F191-Y213 HydrophobicContact CG-CD1 3.72Å; F191-Y213 HydrophobicContact CG-CE1 4.17Å; F191-Y213 AromaticContact CG-CG 3.93Å; F191-Y213 HydrophobicContact CG-CG 3.93Å; F191-L550 HydrophobicContact CE1-CD1 4.03Å; F191-L550 HydrophobicContact CE1-CD2 4.27Å; F191-L550 HydrophobicContact CZ-CD2 4.01Å; F191-F588 HydrophobicContact CD1-CD2 4.06Å; F191-F588 AromaticContact CD2-CD2 3.84Å; F191-F588 HydrophobicContact CD2-CD2 3.84Å; F191-F588 HydrophobicContact CE1-CB 4.47Å; F191-F588 HydrophobicContact CE1-CD2 4.11Å; F191-F588 HydrophobicContact CE2-CB 3.77Å; F191-F588 AromaticContact CE2-CD2 3.89Å; F191-F588 HydrophobicContact CE2-CD2 3.89Å; F191-F588 HydrophobicContact CE2-CG 4.32Å; F191-F588 AromaticContact CG-CD2 3.93Å; F191-F588 HydrophobicContact CG-CD2 3.93Å; F191-F588 HydrophobicContact CZ-CB 3.74Å; F191-F588 HydrophobicContact CZ-CD2 4.03Å; F191-F588 HydrophobicContact CZ-CG 4.41Å; F191-F591 AromaticContact CD1-CD1 3.88Å; F191-F591 HydrophobicContact CD1-CD1 3.88Å; F191-F591 HydrophobicContact CD1-CE1 4.16Å; F191-F591 HydrophobicContact CD1-CG 4.15Å; F191-F591 HydrophobicContact CE1-CB 3.83Å; F191-F591 AromaticContact CE1-CD1 3.89Å; F191-F591 HydrophobicContact CE1-CD1 3.89Å; F191-F591 HydrophobicContact CE1-CD2 4.3Å; F191-F591 AromaticContact CE1-CG 3.74Å; F191-F591 HydrophobicContact CE1-CG 3.74Å
192T96.6Very high93.5Very high14 Ų1430.1 Ų30.19%0.08614%0.144CC..Hα-helixtrans-63.7-53.4-180-62.80000111W74 G188 F194 Q195 T196 S212 Y213W74-T192 HydrophobicContact CH2-CG2 4.03Å; W74-T192 HydrophobicContact CZ3-CG2 4.38Å; G188-T192 WeakPolarHBondContact O-CB 3.2Å; G188-T192 PolarHBondContact O-N 3.46Å; G188-T192 PolarHBondContact O-OG1 2.92Å; T192-F194 VanDerWaalsContact C-N 3.31Å; T192-F194 PolarHBondContact O-N 3.3Å; T192-Q195 PolarHBondContact O-N 2.88Å; T192-T196 WeakPolarHBondContact O-CB 3.4Å; T192-T196 PolarHBondContact O-N 3.06Å; T192-T196 PolarHBondContact O-OG1 3.05Å; T192-S212 WeakPolarHBondContact OG1-CA 3.43Å; T192-Y213 PolarHBondContact OG1-N 3.34Å; T192-Y213 PolarHBondContact OG1-O 2.78Å
193R94.7Very high93Very high15 Ų1529.4 Ų29.46%0.05714%0.14CC..Hα-helixtrans-63.1-39-175.8-66.6-169.6-168.9-176.73.4112.2Y71 W74 P79 C189 K197Y71-R193 PolarHBondContact O-NH1 2.79Å; W74-R193 VanDerWaalsContact CD1-CZ 3.48Å; W74-R193 HydrophobicContact CD2-CB 4.46Å; W74-R193 HydrophobicContact CD2-CG 3.56Å; W74-R193 HydrophobicContact CE3-CB 4.18Å; W74-R193 HydrophobicContact CE3-CG 3.6Å; W74-R193 HydrophobicContact CG-CG 4.14Å; W74-R193 HydrophobicContact CH2-CG 3.92Å; W74-R193 HydrophobicContact CZ2-CG 3.9Å; W74-R193 HydrophobicContact CZ3-CB 4.42Å; W74-R193 HydrophobicContact CZ3-CG 3.78Å; P79-R193 HydrophobicContact CG-CB 4.26Å; C189-R193 VanDerWaalsContact O-CB 3.24Å; C189-R193 WeakPolarHBondContact O-CB 3.32Å; C189-R193 WeakPolarHBondContact O-CG 3.24Å; C189-R193 PolarHBondContact O-N 2.84Å; R193-K197 VanDerWaalsContact O-CB 3.26Å; R193-K197 WeakPolarHBondContact O-CB 3.43Å; R193-K197 PolarHBondContact O-N 3.18Å; R193-K197 VanDerWaalsContact O-N 3.11Å
194F95.9Very high92.3Very high31 Ų3129.4 Ų29.414%0.13614%0.141CC..Hα-helixtrans-59.6-52.9174.8174.2-100.1000111.2P79 A190 T192 K197 F198 F588 F591 V592 I595P79-F194 HydrophobicContact CB-CB 4.13Å; P79-F194 HydrophobicContact CG-CB 3.97Å; A190-F194 WeakPolarHBondContact O-CB 3.47Å; A190-F194 PolarHBondContact O-N 2.92Å; T192-F194 VanDerWaalsContact C-N 3.31Å; T192-F194 PolarHBondContact O-N 3.3Å; F194-K197 PolarHBondContact O-N 3.25Å; F194-F198 HydrophobicContact CZ-CD2 4.2Å; F194-F198 VanDerWaalsContact O-CB 3.24Å; F194-F198 WeakPolarHBondContact O-CB 3.26Å; F194-F198 PolarHBondContact O-N 2.89Å; F194-F588 HydrophobicContact CB-CE2 3.87Å; F194-F588 HydrophobicContact CB-CZ 3.94Å; F194-F588 HydrophobicContact CD2-CZ 4.46Å; F194-F588 HydrophobicContact CG-CE2 4.25Å; F194-F588 HydrophobicContact CG-CZ 4.18Å; F194-F591 HydrophobicContact CD1-CD1 4.14Å; F194-F591 AromaticContact CD1-CE1 3.75Å; F194-F591 HydrophobicContact CD1-CE1 3.75Å; F194-F591 HydrophobicContact CE1-CD1 4.13Å; F194-F591 AromaticContact CE1-CE1 3.82Å; F194-F591 HydrophobicContact CE1-CE1 3.82Å; F194-V592 HydrophobicContact CD1-CG2 4.09Å; F194-V592 HydrophobicContact CD2-CG2 3.89Å; F194-V592 HydrophobicContact CE1-CB 4.47Å; F194-V592 HydrophobicContact CE1-CG2 3.92Å; F194-V592 HydrophobicContact CE2-CB 4.22Å; F194-V592 HydrophobicContact CE2-CG1 3.72Å; F194-V592 HydrophobicContact CE2-CG2 3.73Å; F194-V592 HydrophobicContact CG-CG2 4.07Å; F194-V592 HydrophobicContact CZ-CB 4.03Å; F194-V592 HydrophobicContact CZ-CG1 3.81Å; F194-V592 HydrophobicContact CZ-CG2 3.75Å; F194-I595 HydrophobicContact CE1-CB 4.14Å; F194-I595 HydrophobicContact CE1-CD1 3.83Å; F194-I595 HydrophobicContact CE1-CG1 3.77Å; F194-I595 HydrophobicContact CZ-CB 4.18Å; F194-I595 HydrophobicContact CZ-CG1 4.09Å; F194-I595 HydrophobicContact CZ-CG2 4.28Å
195Q95.3Very high91.8Very high0 Ų030.9 Ų30.90%015%0.149CC..Hα-helixtrans-67.4-44.4-177.5-70.6174.587.800112.9F191 T192 K197 F198 F199 I211 Y543 F591F191-Q195 WeakPolarHBondContact O-CG 3.49Å; F191-Q195 PolarHBondContact O-N 3.49Å; F191-Q195 VanDerWaalsContact O-N 3.14Å; F191-Q195 PolarHBondContact O-NE2 2.89Å; T192-Q195 PolarHBondContact O-N 2.88Å; Q195-K197 PolarHBondContact O-N 2.85Å; Q195-F198 PolarHBondContact O-N 3.41Å; Q195-F199 HydrophobicContact CB-CD2 4.2Å; Q195-F199 HydrophobicContact CB-CE2 4.38Å; Q195-F199 HydrophobicContact CG-CE2 4.48Å; Q195-F199 WeakPolarHBondContact O-CB 3.23Å; Q195-F199 VanDerWaalsContact O-CD2 3.28Å; Q195-F199 WeakPolarHBondContact O-CD2 3.36Å; Q195-F199 PolarHBondContact O-N 3.4Å; Q195-I211 HydrophobicContact CB-CG2 3.69Å; Q195-Y543 VanDerWaalsContact CD-OH 3.29Å; Q195-Y543 PolarHBondContact NE2-OH 2.77Å; Q195-Y543 PolarHBondContact OE1-OH 3.05Å; Q195-F591 HydrophobicContact CG-CE1 3.75Å; Q195-F591 HydrophobicContact CG-CZ 3.82Å
196T91.6Very high91.3Very high17 Ų1729.6 Ų29.610%0.10414%0.142CC..Hα-helixtrans-55.8-44.4176.6-57.30000110.3W74 T192 Q200 I211W74-T196 HydrophobicContact CZ3-CG2 4.26Å; T192-T196 WeakPolarHBondContact O-CB 3.4Å; T192-T196 PolarHBondContact O-N 3.06Å; T192-T196 PolarHBondContact O-OG1 3.05Å; T196-Q200 VanDerWaalsContact O-CB 3.25Å; T196-Q200 WeakPolarHBondContact O-CB 3.31Å; T196-Q200 PolarHBondContact O-N 3.12Å; T196-I211 PolarHBondContact OG1-O 3.22Å
197K89.7Confident90.6Very high110 Ų11030.1 Ų30.148%0.47815%0.146SC..Hα-helixtrans-69.5-41.1177.8-174.6174.2-178.5174.30112.5D75 R193 F194 Q195 Q200D75-K197 PolarHBondContact O-NZ 3.44Å; R193-K197 VanDerWaalsContact O-CB 3.26Å; R193-K197 WeakPolarHBondContact O-CB 3.43Å; R193-K197 PolarHBondContact O-N 3.18Å; R193-K197 VanDerWaalsContact O-N 3.11Å; F194-K197 PolarHBondContact O-N 3.25Å; Q195-K197 PolarHBondContact O-N 2.85Å; K197-Q200 WeakPolarHBondContact O-CB 3.26Å; K197-Q200 PolarHBondContact O-N 3.09Å
198F91.5Very high89.7Confident51 Ų5130.5 Ų30.522%0.22415%0.149CC..Hα-helixtrans-65.6-41.3-179.2-177.2-93000112.3F194 Q195 I595 D599F194-F198 HydrophobicContact CZ-CD2 4.2Å; F194-F198 VanDerWaalsContact O-CB 3.24Å; F194-F198 WeakPolarHBondContact O-CB 3.26Å; F194-F198 PolarHBondContact O-N 2.89Å; Q195-F198 PolarHBondContact O-N 3.41Å; F198-I595 HydrophobicContact CD1-CD1 4.39Å; F198-I595 HydrophobicContact CD1-CG1 3.7Å; F198-I595 HydrophobicContact CD2-CG1 4.15Å; F198-I595 HydrophobicContact CD2-CG2 4.25Å; F198-I595 HydrophobicContact CE1-CD1 4.4Å; F198-I595 HydrophobicContact CE1-CG1 3.45Å; F198-I595 VanDerWaalsContact CE1-CG1 3.45Å; F198-I595 HydrophobicContact CE1-CG2 4.32Å; F198-I595 HydrophobicContact CE2-CB 4.38Å; F198-I595 HydrophobicContact CE2-CG1 3.93Å; F198-I595 HydrophobicContact CE2-CG2 3.5Å; F198-I595 HydrophobicContact CG-CG1 4.03Å; F198-I595 HydrophobicContact CZ-CB 4.18Å; F198-I595 HydrophobicContact CZ-CG1 3.57Å; F198-I595 HydrophobicContact CZ-CG2 3.53Å; F198-D599 HydrophobicContact CE1-CB 4.07Å; F198-D599 HydrophobicContact CZ-CB 4.41Å
199F90.5Very high88.8Confident1 Ų133 Ų330%0.00416%0.164CC..SBendtrans-91.2-1.3178.8-65.5-60.5000113.8Q195 D201 R202 Y203 L206 I211 I595 M598 D599 F602Q195-F199 HydrophobicContact CB-CD2 4.2Å; Q195-F199 HydrophobicContact CB-CE2 4.38Å; Q195-F199 HydrophobicContact CG-CE2 4.48Å; Q195-F199 WeakPolarHBondContact O-CB 3.23Å; Q195-F199 VanDerWaalsContact O-CD2 3.28Å; Q195-F199 WeakPolarHBondContact O-CD2 3.36Å; Q195-F199 PolarHBondContact O-N 3.4Å; F199-D201 PolarHBondContact O-N 3.24Å; F199-R202 PolarHBondContact O-N 3.14Å; F199-Y203 HydrophobicContact CD1-CD2 4.34Å; F199-Y203 AromaticContact CD1-CE2 3.79Å; F199-Y203 HydrophobicContact CD1-CE2 3.79Å; F199-Y203 HydrophobicContact CE1-CE2 4.16Å; F199-L206 HydrophobicContact CB-CD2 4.1Å; F199-I211 HydrophobicContact CB-CD1 3.85Å; F199-I211 HydrophobicContact CD2-CD1 3.71Å; F199-I211 HydrophobicContact CG-CD1 4.04Å; F199-I595 HydrophobicContact CE2-CD1 4.48Å; F199-I595 HydrophobicContact CZ-CD1 4.38Å; F199-M598 HydrophobicContact CE2-CG 4.45Å; F199-M598 HydrophobicContact CE2-SD 3.91Å; F199-M598 HydrophobicContact CZ-CG 3.94Å; F199-M598 HydrophobicContact CZ-SD 4Å; F199-D599 HydrophobicContact CE1-CB 4.42Å; F199-D599 WeakPolarHBondContact CE1-OD1 3.46Å; F199-F602 HydrophobicContact CD1-CD1 4.39Å; F199-F602 HydrophobicContact CD1-CG 4.41Å; F199-F602 HydrophobicContact CE1-CB 4.22Å; F199-F602 HydrophobicContact CE1-CD1 4.33Å; F199-F602 AromaticContact CE1-CD2 3.98Å; F199-F602 HydrophobicContact CE1-CD2 3.98Å; F199-F602 HydrophobicContact CE1-CE2 4.44Å; F199-F602 AromaticContact CE1-CG 3.92Å; F199-F602 HydrophobicContact CE1-CG 3.92Å; F199-F602 HydrophobicContact CE2-CD2 4.44Å; F199-F602 HydrophobicContact CE2-CE2 4.11Å; F199-F602 HydrophobicContact CE2-CZ 4.27Å; F199-F602 AromaticContact CZ-CD2 3.8Å; F199-F602 HydrophobicContact CZ-CD2 3.8Å; F199-F602 AromaticContact CZ-CE2 3.91Å; F199-F602 HydrophobicContact CZ-CE2 3.91Å; F199-F602 HydrophobicContact CZ-CG 4.2Å; F199-F602 HydrophobicContact CZ-CZ 4.4Å
200Q85.2Confident88.2Confident88 Ų8833.9 Ų33.941%0.41117%0.167SC..THydrogen-bonded Turntrans-60.8128.6176.6-174.3170.7-7.400109.9T196 K197 R202T196-Q200 VanDerWaalsContact O-CB 3.25Å; T196-Q200 WeakPolarHBondContact O-CB 3.31Å; T196-Q200 PolarHBondContact O-N 3.12Å; K197-Q200 WeakPolarHBondContact O-CB 3.26Å; K197-Q200 PolarHBondContact O-N 3.09Å; Q200-R202 PolarHBondContact O-N 3.41Å
201D79.9Confident88Confident57 Ų5733.9 Ų33.931%0.30517%0.167SC..THydrogen-bonded Turntrans5817.6176.9-55.9-40000115.3F199 L609 R635 T644F199-D201 PolarHBondContact O-N 3.24Å; D201-L609 WeakPolarHBondContact O-CD2 3.38Å; D201-R635 WeakPolarHBondContact OD1-CD 3.32Å; D201-R635 IonicContact OD1-NE 2.97Å; D201-R635 PolarHBondContact OD1-NE 3.45Å; D201-T644 HydrophobicContact CB-CG2 4.32Å
202R85.8Confident87.9Confident99 Ų9934 Ų3437%0.37417%0.168SC..THydrogen-bonded Turntrans-90.5-39.4-178.6-145.2166.6-174.8-152.7-15.5113.2F199 Q200 D599 L609F199-R202 PolarHBondContact O-N 3.14Å; Q200-R202 PolarHBondContact O-N 3.41Å; R202-D599 IonicContact CZ-OD1 3.37Å; R202-D599 IonicContact CZ-OD2 2.63Å; R202-D599 IonicContact NH1-OD1 3.92Å; R202-D599 PolarHBondContact NH1-OD1 2.83Å; R202-D599 IonicContact NH1-OD2 2.6Å; R202-D599 PolarHBondContact NH1-OD2 2.95Å; R202-D599 IonicContact NH2-OD1 3.96Å; R202-D599 IonicContact NH2-OD2 3.43Å; R202-D599 PolarHBondContact NH2-OD2 2.78Å; R202-L609 PolarHBondContact O-N 3.04Å
203Y87.5Confident87.9Confident9 Ų933.8 Ų33.84%0.03517%0.166CC..BIsolated β-bridgetrans-119.3142178.1-54.7-72.2000110.2F199 L206 D599 F602 E603 F606 S607 R635F199-Y203 HydrophobicContact CD1-CD2 4.34Å; F199-Y203 AromaticContact CD1-CE2 3.79Å; F199-Y203 HydrophobicContact CD1-CE2 3.79Å; F199-Y203 HydrophobicContact CE1-CE2 4.16Å; Y203-L206 HydrophobicContact CD2-CD2 3.69Å; Y203-L206 HydrophobicContact CG-CD2 4.39Å; Y203-D599 PolarHBondContact OH-O 2.8Å; Y203-D599 VanDerWaalsContact OH-O 3.05Å; Y203-D599 PolarHBondContact OH-OD1 3.4Å; Y203-F602 HydrophobicContact CD2-CB 4.26Å; Y203-F602 HydrophobicContact CD2-CD1 4.38Å; Y203-F602 HydrophobicContact CE2-CB 3.48Å; Y203-F602 VanDerWaalsContact CE2-CB 3.48Å; Y203-F602 HydrophobicContact CE2-CD1 4.26Å; Y203-F602 HydrophobicContact CE2-CG 4.23Å; Y203-E603 HydrophobicContact CE1-CB 4.05Å; Y203-E603 HydrophobicContact CE1-CG 4.49Å; Y203-E603 PolarHBondContact OH-N 2.87Å; Y203-F606 HydrophobicContact CD1-CB 4Å; Y203-F606 HydrophobicContact CG-CB 3.86Å; Y203-S607 CarbonylContact C-O 3.59Å; Y203-S607 WeakPolarHBondContact CA-O 3.11Å; Y203-R635 PolarHBondContact O-NH2 3.39Å
204G80.7Confident88Confident2 Ų233.5 Ų33.52%0.02117%0.167CC..SBendtrans-87.3-28.7-17300000114.9S607 S612 I629 T631 R635G204-S607 PolarHBondContact N-O 2.8Å; G204-S612 VanDerWaalsContact CA-CB 3.48Å; G204-S612 WeakPolarHBondContact CA-OG 3.19Å; G204-I629 WeakPolarHBondContact O-CG2 3.35Å; G204-T631 WeakPolarHBondContact O-CB 3.4Å; G204-T631 PolarHBondContact O-OG1 3.26Å; G204-R635 PolarHBondContact O-NH2 2.82Å
205D84.8Confident88Confident66 Ų6632.4 Ų32.435%0.35316%0.164SC..SBendtrans-96.54.9176.752.82.4000113.3F606 S607D205-F606 VanDerWaalsContact OD1-CA 3.32Å; D205-F606 WeakPolarHBondContact OD1-CA 3.29Å; D205-F606 VanDerWaalsContact OD1-CB 3.28Å; D205-F606 WeakPolarHBondContact OD1-CB 3.38Å; D205-S607 VanDerWaalsContact CG-N 3.25Å; D205-S607 PolarHBondContact OD1-N 2.77Å; D205-S607 WeakPolarHBondContact OD2-CB 3.32Å; D205-S607 PolarHBondContact OD2-N 3.04Å; D205-S607 PolarHBondContact OD2-OG 3.18Å
206L84.8Confident88Confident5 Ų532.5 Ų32.53%0.02616%0.164CC..  trans-95.8129.9171.4-178.664.5000111.8F199 Y203 I211 L535 F602 F606F199-L206 HydrophobicContact CB-CD2 4.1Å; Y203-L206 HydrophobicContact CD2-CD2 3.69Å; Y203-L206 HydrophobicContact CG-CD2 4.39Å; L206-I211 HydrophobicContact CD1-CD1 4.38Å; L206-I211 HydrophobicContact CD2-CD1 4.06Å; L206-L535 HydrophobicContact CD1-CD1 3.78Å; L206-F602 HydrophobicContact CD1-CD1 4.39Å; L206-F602 HydrophobicContact CD1-CE1 3.96Å; L206-F602 HydrophobicContact CD2-CD1 3.78Å; L206-F602 HydrophobicContact CD2-CE1 3.83Å; L206-F606 HydrophobicContact CB-CD1 4.12Å; L206-F606 HydrophobicContact CB-CG 4.27Å; L206-F606 HydrophobicContact CD1-CD1 4.32Å; L206-F606 HydrophobicContact CD1-CD2 4.43Å; L206-F606 HydrophobicContact CD1-CE1 3.99Å; L206-F606 HydrophobicContact CD1-CE2 4.11Å; L206-F606 HydrophobicContact CD1-CZ 3.88Å
207D82.6Confident88.2Confident28 Ų2832.6 Ų32.615%0.1516%0.163CC..  trans-91.492.6162.5-175.7-11.9000109.2S209 L210 T631 K632D207-S209 PolarHBondContact O-N 2.89Å; D207-S209 VanDerWaalsContact O-N 3.14Å; D207-S209 VanDerWaalsContact OD1-CB 3.27Å; D207-S209 WeakPolarHBondContact OD1-CB 3.18Å; D207-S209 PolarHBondContact OD1-N 3.2Å; D207-S209 PolarHBondContact OD1-OG 2.87Å; D207-L210 HydrophobicContact CB-CD1 3.9Å; D207-L210 HydrophobicContact CB-CG 4Å; D207-L210 WeakPolarHBondContact O-CB 3.39Å; D207-L210 PolarHBondContact O-N 3.29Å; D207-L210 VanDerWaalsContact O-N 3.1Å; D207-T631 HydrophobicContact CB-CG2 4.11Å; D207-K632 WeakPolarHBondContact CA-O 3.42Å; D207-K632 VanDerWaalsContact CG-O 3.24Å; D207-K632 VanDerWaalsContact OD1-O 3.09Å
208S80Confident88.6Confident9 Ų927.6 Ų27.66%0.06314%0.142CC..G310 helixtrans-64.6-17-177.867.30000113.2L210 I211S208-L210 PolarHBondContact O-N 2.96Å; S208-I211 WeakPolarHBondContact O-CB 3.38Å; S208-I211 PolarHBondContact O-N 2.98Å; S208-I211 VanDerWaalsContact O-N 3.12Å
209S77.2Confident89Confident63 Ų6325.3 Ų25.344%0.44113%0.133SC..G310 helixtrans-71-17.6176.480.20000112.9D207 R519D207-S209 PolarHBondContact O-N 2.89Å; D207-S209 VanDerWaalsContact O-N 3.14Å; D207-S209 VanDerWaalsContact OD1-CB 3.27Å; D207-S209 WeakPolarHBondContact OD1-CB 3.18Å; D207-S209 PolarHBondContact OD1-N 3.2Å; D207-S209 PolarHBondContact OD1-OG 2.87Å; S209-R519 PolarHBondContact O-NH1 2.75Å
210L83.4Confident89.4Confident46 Ų4625.3 Ų25.324%0.24113%0.133CC..G310 helixtrans-79.4-19.2172.3-59.7179.4000112.4D207 S208 S212 N520 Y521 L535D207-L210 HydrophobicContact CB-CD1 3.9Å; D207-L210 HydrophobicContact CB-CG 4Å; D207-L210 WeakPolarHBondContact O-CB 3.39Å; D207-L210 PolarHBondContact O-N 3.29Å; D207-L210 VanDerWaalsContact O-N 3.1Å; S208-L210 PolarHBondContact O-N 2.96Å; L210-S212 PolarHBondContact O-N 3.14Å; L210-N520 HydrophobicContact CD1-CB 4.36Å; L210-Y521 WeakPolarHBondContact O-CE1 3.44Å; L210-Y521 PolarHBondContact O-OH 3.21Å; L210-L535 HydrophobicContact CB-CD2 3.97Å
211I92.7Very high90Very high0 Ų021.3 Ų21.30%011%0.114CC..  trans-70.1125.9-179.1-59.1173.4000109.8Q195 T196 F199 L206 S208 L535 L539 F602Q195-I211 HydrophobicContact CB-CG2 3.69Å; T196-I211 PolarHBondContact OG1-O 3.22Å; F199-I211 HydrophobicContact CB-CD1 3.85Å; F199-I211 HydrophobicContact CD2-CD1 3.71Å; F199-I211 HydrophobicContact CG-CD1 4.04Å; L206-I211 HydrophobicContact CD1-CD1 4.38Å; L206-I211 HydrophobicContact CD2-CD1 4.06Å; S208-I211 WeakPolarHBondContact O-CB 3.38Å; S208-I211 PolarHBondContact O-N 2.98Å; S208-I211 VanDerWaalsContact O-N 3.12Å; I211-L535 HydrophobicContact CG1-CD1 4.2Å; I211-L539 HydrophobicContact CG2-CD2 4.01Å; I211-F602 HydrophobicContact CD1-CE1 4.01Å; I211-F602 HydrophobicContact CD1-CZ 4.24Å
212S95.6Very high90.9Very high4 Ų418.9 Ų18.93%0.02810%0.102CC..  trans-154.4150.4-179.167.10000109.6T192 L210 Q217 Y521T192-S212 WeakPolarHBondContact OG1-CA 3.43Å; L210-S212 PolarHBondContact O-N 3.14Å; S212-Q217 PolarHBondContact OG-NE2 3.22Å; S212-Y521 WeakPolarHBondContact CA-OH 3.43Å; S212-Y521 PolarHBondContact N-OH 3.49Å; S212-Y521 PolarHBondContact O-OH 3.2Å; S212-Y521 PolarHBondContact OG-OH 2.86Å
213Y97.7Very high91.5Very high8 Ų815 Ų153%0.0319%0.088CC..  trans-120.2137.6172.2178.9-92.5000108.4I187 G188 F191 T192 T218 Y543 L550I187-Y213 HydrophobicContact CG2-CD1 4.16Å; I187-Y213 HydrophobicContact CG2-CE1 3.65Å; G188-Y213 VanDerWaalsContact CA-O 3.31Å; G188-Y213 WeakPolarHBondContact CA-O 3.44Å; F191-Y213 VanDerWaalsContact CB-CB 3.42Å; F191-Y213 HydrophobicContact CB-CD1 3.57Å; F191-Y213 HydrophobicContact CB-CD2 4.47Å; F191-Y213 HydrophobicContact CB-CE1 4.49Å; F191-Y213 HydrophobicContact CB-CG 3.56Å; F191-Y213 HydrophobicContact CD1-CD1 4.41Å; F191-Y213 HydrophobicContact CD1-CG 4.32Å; F191-Y213 AromaticContact CD2-CD1 3.88Å; F191-Y213 HydrophobicContact CD2-CD1 3.88Å; F191-Y213 HydrophobicContact CD2-CE1 4.02Å; F191-Y213 HydrophobicContact CE2-CE1 4.4Å; F191-Y213 AromaticContact CG-CD1 3.72Å; F191-Y213 HydrophobicContact CG-CD1 3.72Å; F191-Y213 HydrophobicContact CG-CE1 4.17Å; F191-Y213 AromaticContact CG-CG 3.93Å; F191-Y213 HydrophobicContact CG-CG 3.93Å; T192-Y213 PolarHBondContact OG1-N 3.34Å; T192-Y213 PolarHBondContact OG1-O 2.78Å; Y213-T218 HydrophobicContact CD2-CG2 4.2Å; Y213-T218 WeakPolarHBondContact CD2-OG1 3.39Å; Y213-T218 HydrophobicContact CE2-CG2 3.89Å; Y213-T218 WeakPolarHBondContact CE2-OG1 3.38Å; Y213-Y543 HydrophobicContact CD2-CD1 4.49Å; Y213-Y543 AromaticContact CD2-CE1 3.8Å; Y213-Y543 HydrophobicContact CD2-CE1 3.8Å; Y213-Y543 HydrophobicContact CD2-CE2 4.17Å; Y213-Y543 AromaticContact CD2-CZ 3.63Å; Y213-Y543 HydrophobicContact CE2-CE1 4.34Å; Y213-L550 HydrophobicContact CE2-CB 4.29Å; Y213-L550 WeakPolarHBondContact OH-CD2 3.49Å
214G95.8Very high92Very high9 Ų914.6 Ų14.69%0.0939%0.087CC..  trans-137.5136.6169.200000109.8C216 Q217 T218G214-C216 PolarHBondContact O-N 2.84Å; G214-C216 VanDerWaalsContact O-N 3.14Å; G214-Q217 PolarHBondContact O-N 2.92Å; G214-T218 PolarHBondContact N-OG1 3.02Å; G214-T218 WeakPolarHBondContact O-CB 3.48Å; G214-T218 PolarHBondContact O-N 3.25Å; G214-T218 PolarHBondContact O-OG1 3.2Å; G214-T218 VanDerWaalsContact O-OG1 3.12Å
215P94.9Very high92.9Very high9 Ų914.5 Ų14.56%0.0589%0.086CC..THydrogen-bonded Turntrans-62.4-24.4-174.625.1-34.9000113.6D184 I187 P219 F584D184-P215 VanDerWaalsContact OD1-CG 3.23Å; D184-P215 WeakPolarHBondContact OD1-CG 3.41Å; I187-P215 HydrophobicContact CG2-CB 4.42Å; P215-P219 VanDerWaalsContact O-CD 3.26Å; P215-P219 WeakPolarHBondContact O-CD 3.49Å; P215-P219 WeakPolarHBondContact O-CG 3.31Å; P215-F584 HydrophobicContact CB-CZ 4.46Å
216C96.4Very high93.5Very high2 Ų217.4 Ų17.41%0.01410%0.095CC..THydrogen-bonded Turntrans-102-35.1169.9-164.80000113G214 T218 P219 T220 H512 R556G214-C216 PolarHBondContact O-N 2.84Å; G214-C216 VanDerWaalsContact O-N 3.14Å; C216-T218 VanDerWaalsContact C-N 3.35Å; C216-T218 PolarHBondContact O-N 2.79Å; C216-P219 WeakPolarHBondContact O-CD 3.37Å; C216-T220 PolarHBondContact O-N 3.31Å; C216-T220 VanDerWaalsContact O-N 3.09Å; C216-T220 PolarHBondContact O-OG1 3Å; C216-H512 PolarHBondContact SG-CD2 3.17Å; C216-R556 HydrophobicContact CB-CG 4.08Å
217Q96.4Very high94.2Very high18 Ų1819.5 Ų19.58%0.08410%0.103CC..Hα-helixtrans-60.5-41.6179.7-178.2-175.6-40.200112.5S212 G214 T220 L221 N515 I516S212-Q217 PolarHBondContact OG-NE2 3.22Å; G214-Q217 PolarHBondContact O-N 2.92Å; Q217-T220 PolarHBondContact O-N 3.36Å; Q217-L221 PolarHBondContact O-N 3.16Å; Q217-N515 HydrophobicContact CG-CB 4.3Å; Q217-I516 HydrophobicContact CG-CG2 3.38Å; Q217-I516 WeakPolarHBondContact O-CG2 3.23Å
218T98.2Very high94.9Very high5 Ų519.4 Ų19.43%0.03110%0.102CC..Hα-helixtrans-68.2-46.5-178.1-570000111.6Y213 G214 C216 T220 L221 G222 Y543 L550 V551Y213-T218 HydrophobicContact CD2-CG2 4.2Å; Y213-T218 WeakPolarHBondContact CD2-OG1 3.39Å; Y213-T218 HydrophobicContact CE2-CG2 3.89Å; Y213-T218 WeakPolarHBondContact CE2-OG1 3.38Å; G214-T218 PolarHBondContact N-OG1 3.02Å; G214-T218 WeakPolarHBondContact O-CB 3.48Å; G214-T218 PolarHBondContact O-N 3.25Å; G214-T218 PolarHBondContact O-OG1 3.2Å; G214-T218 VanDerWaalsContact O-OG1 3.12Å; C216-T218 VanDerWaalsContact C-N 3.35Å; C216-T218 PolarHBondContact O-N 2.79Å; T218-T220 VanDerWaalsContact C-N 3.34Å; T218-T220 PolarHBondContact O-N 2.86Å; T218-L221 PolarHBondContact O-N 3.37Å; T218-G222 PolarHBondContact O-N 3.29Å; T218-Y543 HydrophobicContact CG2-CD2 3.75Å; T218-Y543 HydrophobicContact CG2-CE2 3.93Å; T218-L550 WeakPolarHBondContact CG2-O 3.45Å; T218-V551 HydrophobicContact CG2-CG2 4.11Å
219P98.4Very high95.7Very high4 Ų420.9 Ų20.93%0.02611%0.109CC..Hα-helixtrans-59.8-38.8170.4-28.535.8000114.9P215 C216 L221 G222 F223 I503 V551 P553P215-P219 VanDerWaalsContact O-CD 3.26Å; P215-P219 WeakPolarHBondContact O-CD 3.49Å; P215-P219 WeakPolarHBondContact O-CG 3.31Å; C216-P219 WeakPolarHBondContact O-CD 3.37Å; P219-L221 VanDerWaalsContact C-N 3.34Å; P219-L221 PolarHBondContact O-N 3.2Å; P219-G222 WeakPolarHBondContact O-CA 3.36Å; P219-G222 PolarHBondContact O-N 2.84Å; P219-F223 PolarHBondContact O-N 2.84Å; P219-I503 HydrophobicContact CB-CD1 3.96Å; P219-V551 WeakPolarHBondContact CA-O 3.4Å; P219-V551 WeakPolarHBondContact CB-O 3.42Å; P219-P553 HydrophobicContact CB-CB 4.41Å
220T98.5Very high96.6Very high0 Ų021.3 Ų21.30%011%0.106CC..Hα-helixtrans-58.3-45.9173.8-59.70000111.5C216 Q217 T218 G222 F223 L494 M498 I513 I516C216-T220 PolarHBondContact O-N 3.31Å; C216-T220 VanDerWaalsContact O-N 3.09Å; C216-T220 PolarHBondContact O-OG1 3Å; Q217-T220 PolarHBondContact O-N 3.36Å; T218-T220 VanDerWaalsContact C-N 3.34Å; T218-T220 PolarHBondContact O-N 2.86Å; T220-G222 VanDerWaalsContact C-N 3.29Å; T220-G222 PolarHBondContact O-N 2.88Å; T220-F223 PolarHBondContact O-N 3Å; T220-L494 HydrophobicContact CG2-CD1 4.2Å; T220-L494 HydrophobicContact CG2-CD2 3.8Å; T220-L494 HydrophobicContact CG2-CG 4.29Å; T220-M498 HydrophobicContact CG2-CE 4.36Å; T220-M498 HydrophobicContact CG2-SD 3.66Å; T220-M498 WeakPolarHBondContact OG1-CE 3.4Å; T220-I513 HydrophobicContact CG2-CG1 4.19Å; T220-I516 HydrophobicContact CG2-CD1 3.95Å
221L98.7Very high97.1Very high4 Ų420.4 Ų20.42%0.02110%0.101CC..Hα-helixtrans-63.9-36.1173-18063000112Q217 T218 P219 F223 C224 V225 I516 Y521 V522 V540Q217-L221 PolarHBondContact O-N 3.16Å; T218-L221 PolarHBondContact O-N 3.37Å; P219-L221 VanDerWaalsContact C-N 3.34Å; P219-L221 PolarHBondContact O-N 3.2Å; L221-F223 VanDerWaalsContact C-N 3.27Å; L221-F223 PolarHBondContact O-N 2.74Å; L221-C224 WeakPolarHBondContact O-CB 3.43Å; L221-C224 PolarHBondContact O-N 3.11Å; L221-V225 HydrophobicContact CD1-CG2 4.25Å; L221-V225 HydrophobicContact CG-CG2 4.23Å; L221-V225 PolarHBondContact O-N 2.76Å; L221-I516 HydrophobicContact CB-CG2 4.07Å; L221-Y521 HydrophobicContact CD2-CD2 3.69Å; L221-Y521 HydrophobicContact CD2-CG 3.96Å; L221-V522 HydrophobicContact CD1-CG1 3.71Å; L221-V540 HydrophobicContact CB-CG2 4.28Å; L221-V540 HydrophobicContact CD2-CG2 3.7Å; L221-V540 HydrophobicContact CG-CG2 3.63Å
222G98.6Very high97Very high6 Ų626.1 Ų26.16%0.06213%0.128CC..Hα-helixtrans-54.8-39.1177.500000113.3T218 P219 T220 K226T218-G222 PolarHBondContact O-N 3.29Å; P219-G222 WeakPolarHBondContact O-CA 3.36Å; P219-G222 PolarHBondContact O-N 2.84Å; T220-G222 VanDerWaalsContact C-N 3.29Å; T220-G222 PolarHBondContact O-N 2.88Å; G222-K226 VanDerWaalsContact O-CB 3.26Å; G222-K226 WeakPolarHBondContact O-CB 3.35Å; G222-K226 PolarHBondContact O-N 3.38Å
223F98.7Very high96.7Very high18 Ų1830.8 Ų30.88%0.07916%0.156CC..Hα-helixtrans-62.8-43.9174.1-69-53.9000112.6P219 T220 L221 K226 R227 L489 L494 L497 M498 H501 I503 P553P219-F223 PolarHBondContact O-N 2.84Å; T220-F223 PolarHBondContact O-N 3Å; L221-F223 VanDerWaalsContact C-N 3.27Å; L221-F223 PolarHBondContact O-N 2.74Å; F223-K226 PolarHBondContact O-N 3.03Å; F223-R227 PolarHBondContact O-N 2.88Å; F223-L489 HydrophobicContact CB-CD1 3.91Å; F223-L489 WeakPolarHBondContact O-CD1 3.36Å; F223-L494 HydrophobicContact CB-CD1 3.71Å; F223-L494 HydrophobicContact CD2-CD1 3.85Å; F223-L494 HydrophobicContact CG-CD1 4.21Å; F223-L497 HydrophobicContact CB-CD1 4.14Å; F223-L497 HydrophobicContact CD1-CB 4.35Å; F223-L497 HydrophobicContact CD1-CD1 4.15Å; F223-L497 HydrophobicContact CD2-CB 4.22Å; F223-L497 HydrophobicContact CE1-CB 4.38Å; F223-L497 HydrophobicContact CE2-CB 4.23Å; F223-L497 HydrophobicContact CG-CB 4.28Å; F223-L497 HydrophobicContact CG-CD1 4.17Å; F223-L497 HydrophobicContact CZ-CB 4.32Å; F223-M498 HydrophobicContact CD2-CG 4.49Å; F223-M498 HydrophobicContact CE2-CG 4.32Å; F223-H501 AromaticContact CE1-CE1 3.88Å; F223-H501 AromaticContact CE1-ND1 3.9Å; F223-H501 HydrophobicContact CZ-CB 4.04Å; F223-H501 AromaticContact CZ-CG 3.67Å; F223-H501 AromaticContact CZ-ND1 3.6Å; F223-I503 HydrophobicContact CE2-CD1 3.89Å; F223-P553 HydrophobicContact CE1-CG 4.33Å; F223-P553 HydrophobicContact CZ-CB 4.17Å; F223-P553 HydrophobicContact CZ-CG 3.9Å
224C98.8Very high96.5Very high1 Ų133.7 Ų33.71%0.00717%0.169CC..Hα-helixtrans-64.8-43.8178.7-580000111.8L221 R227 H228 V522 P532L221-C224 WeakPolarHBondContact O-CB 3.43Å; L221-C224 PolarHBondContact O-N 3.11Å; C224-R227 PolarHBondContact O-N 3.29Å; C224-H228 PolarHBondContact O-N 3.37Å; C224-V522 HydrophobicContact CB-CG1 4.15Å; C224-P532 HydrophobicContact CB-CG 3.97Å; C224-P532 WeakPolarHBondContact O-CG 3.34Å
225V98.5Very high96.3Very high0 Ų041.5 Ų41.50%020%0.201CC..Hα-helixtrans-69.7-38.8178.5176.60000111.3L221 R227 H228 D229 P532 I537 V540L221-V225 HydrophobicContact CD1-CG2 4.25Å; L221-V225 HydrophobicContact CG-CG2 4.23Å; L221-V225 PolarHBondContact O-N 2.76Å; V225-R227 VanDerWaalsContact C-N 3.3Å; V225-R227 PolarHBondContact O-N 2.6Å; V225-H228 CarbonylContact O-C 3.59Å; V225-H228 WeakPolarHBondContact O-CA 3.48Å; V225-H228 VanDerWaalsContact O-CB 3.3Å; V225-H228 WeakPolarHBondContact O-CB 3.46Å; V225-H228 PolarHBondContact O-N 3.37Å; V225-D229 VanDerWaalsContact O-CG 3.29Å; V225-D229 PolarHBondContact O-N 3.12Å; V225-P532 HydrophobicContact CG2-CB 3.99Å; V225-P532 HydrophobicContact CG2-CG 4.08Å; V225-I537 HydrophobicContact CG1-CG2 4.48Å; V225-I537 HydrophobicContact CG2-CG1 4.42Å; V225-V540 HydrophobicContact CB-CB 3.93Å; V225-V540 HydrophobicContact CB-CG1 3.8Å; V225-V540 HydrophobicContact CB-CG2 4.07Å; V225-V540 HydrophobicContact CG1-CB 3.89Å; V225-V540 HydrophobicContact CG1-CG1 3.71Å; V225-V540 HydrophobicContact CG2-CB 3.87Å; V225-V540 HydrophobicContact CG2-CG1 4.31Å; V225-V540 HydrophobicContact CG2-CG2 3.7Å
226K98.5Very high96.3Very high126 Ų12644.5 Ų44.555%0.54822%0.22SC..Hα-helixtrans-56.7-45.9172.2-178.4-176.2175-170.70111.3G222 F223 H228 D229 D230G222-K226 VanDerWaalsContact O-CB 3.26Å; G222-K226 WeakPolarHBondContact O-CB 3.35Å; G222-K226 PolarHBondContact O-N 3.38Å; F223-K226 PolarHBondContact O-N 3.03Å; K226-H228 VanDerWaalsContact C-N 3.31Å; K226-H228 PolarHBondContact O-N 3.4Å; K226-D229 PolarHBondContact O-N 3.42Å; K226-D230 VanDerWaalsContact O-CG 3.25Å; K226-D230 PolarHBondContact O-N 3.14Å
227R98.3Very high96.3Very high49 Ų4950.1 Ų50.119%0.18525%0.246CC..Hα-helixtrans-62.3-39.1175.5-18063.67275-2.8111.7F223 C224 V225 D230 I231 D487 L489 E493F223-R227 PolarHBondContact O-N 2.88Å; C224-R227 PolarHBondContact O-N 3.29Å; V225-R227 VanDerWaalsContact C-N 3.3Å; V225-R227 PolarHBondContact O-N 2.6Å; R227-D230 PolarHBondContact O-N 2.76Å; R227-I231 HydrophobicContact CG-CD1 4.2Å; R227-I231 WeakPolarHBondContact O-CD1 3.48Å; R227-I231 WeakPolarHBondContact O-CG1 3.26Å; R227-I231 PolarHBondContact O-N 2.94Å; R227-I231 VanDerWaalsContact O-N 3.09Å; R227-D487 WeakPolarHBondContact CD-O 3.43Å; R227-D487 VanDerWaalsContact CG-O 3.25Å; R227-D487 WeakPolarHBondContact CG-O 3.08Å; R227-D487 PolarHBondContact NH1-O 3.26Å; R227-L489 HydrophobicContact CB-CD1 4.24Å; R227-L489 HydrophobicContact CB-CG 3.89Å; R227-L489 HydrophobicContact CG-CG 4.06Å; R227-E493 IonicContact CZ-OE1 2.66Å; R227-E493 IonicContact NH1-OE1 3.68Å; R227-E493 PolarHBondContact NH1-OE1 2.76Å; R227-E493 VanDerWaalsContact NH1-OE1 3.12Å; R227-E493 IonicContact NH2-OE1 3.35Å; R227-E493 PolarHBondContact NH2-OE1 2.83Å; R227-E493 VanDerWaalsContact NH2-OE1 3.14Å
228H98Very high96.4Very high27 Ų2751 Ų5113%0.12525%0.254CS..Hα-helixtrans-59-46.9173.3172.481.1000111.6C224 V225 K226 D230 I231 Q232 Y488 P532 I537C224-H228 PolarHBondContact O-N 3.37Å; V225-H228 CarbonylContact O-C 3.59Å; V225-H228 WeakPolarHBondContact O-CA 3.48Å; V225-H228 VanDerWaalsContact O-CB 3.3Å; V225-H228 WeakPolarHBondContact O-CB 3.46Å; V225-H228 PolarHBondContact O-N 3.37Å; K226-H228 VanDerWaalsContact C-N 3.31Å; K226-H228 PolarHBondContact O-N 3.4Å; H228-D230 VanDerWaalsContact C-N 3.34Å; H228-D230 PolarHBondContact O-N 3.42Å; H228-I231 WeakPolarHBondContact O-CB 3.45Å; H228-I231 PolarHBondContact O-N 3.42Å; H228-I231 VanDerWaalsContact O-N 3.1Å; H228-Q232 WeakPolarHBondContact NE2-CG 3.23Å; H228-Q232 WeakPolarHBondContact O-CG 3.39Å; H228-Q232 PolarHBondContact O-N 3.37Å; H228-Y488 HydrophobicContact CB-CE1 3.86Å; H228-Y488 AromaticContact ND1-CE1 3.59Å; H228-Y488 AromaticContact ND1-CZ 3.85Å; H228-Y488 PolarHBondContact ND1-OH 3.04Å; H228-P532 HydrophobicContact CB-CG 3.97Å; H228-I537 WeakPolarHBondContact NE2-CD1 3.44Å
229D95.5Very high96.4Very high39 Ų3952 Ų5221%0.20926%0.258CS..Hα-helixtrans-63.5-40.7179.3-62.4-24.6000111.7V225 K226 I231 Q232 T233 H541V225-D229 VanDerWaalsContact O-CG 3.29Å; V225-D229 PolarHBondContact O-N 3.12Å; K226-D229 PolarHBondContact O-N 3.42Å; D229-I231 PolarHBondContact O-N 3.01Å; D229-Q232 PolarHBondContact O-N 3.34Å; D229-T233 WeakPolarHBondContact O-CB 3.36Å; D229-T233 WeakPolarHBondContact O-CG2 3.42Å; D229-T233 PolarHBondContact O-N 3.1Å; D229-T233 PolarHBondContact O-OG1 2.72Å; D229-H541 VanDerWaalsContact CG-NE2 3.25Å; D229-H541 IonicContact OD1-CE1 3.14Å; D229-H541 PolarHBondContact OD1-CE1 3.33Å; D229-H541 VanDerWaalsContact OD1-CE1 3.22Å; D229-H541 IonicContact OD1-NE2 2.77Å; D229-H541 PolarHBondContact OD1-NE2 2.92Å; D229-H541 IonicContact OD2-CD2 3.04Å; D229-H541 IonicContact OD2-CE1 3.06Å; D229-H541 IonicContact OD2-NE2 3.6Å; D229-H541 PolarHBondContact OD2-NE2 2.81Å
230D96.7Very high96.4Very high72 Ų7252.8 Ų52.839%0.38526%0.261SS..Hα-helixtrans-58.8-37174.2-67.5-24.7000111.1K226 R227 H228 F234 P486K226-D230 VanDerWaalsContact O-CG 3.25Å; K226-D230 PolarHBondContact O-N 3.14Å; R227-D230 PolarHBondContact O-N 2.76Å; H228-D230 VanDerWaalsContact C-N 3.34Å; H228-D230 PolarHBondContact O-N 3.42Å; D230-F234 WeakPolarHBondContact O-CB 3.45Å; D230-F234 PolarHBondContact O-N 2.88Å; D230-P486 HydrophobicContact CB-CG 4.35Å
231I94.6Very high96.3Very high27 Ų2755.1 Ų55.114%0.13827%0.272CS..Hα-helixtrans-70.9-48.8175.9-65.1166.4000111.1R227 H228 D229 T233 F234 P485 P486 Y488R227-I231 HydrophobicContact CG-CD1 4.2Å; R227-I231 WeakPolarHBondContact O-CD1 3.48Å; R227-I231 WeakPolarHBondContact O-CG1 3.26Å; R227-I231 PolarHBondContact O-N 2.94Å; R227-I231 VanDerWaalsContact O-N 3.09Å; H228-I231 WeakPolarHBondContact O-CB 3.45Å; H228-I231 PolarHBondContact O-N 3.42Å; H228-I231 VanDerWaalsContact O-N 3.1Å; D229-I231 PolarHBondContact O-N 3.01Å; I231-T233 VanDerWaalsContact C-N 3.31Å; I231-T233 PolarHBondContact O-N 3.49Å; I231-F234 WeakPolarHBondContact O-CB 3.43Å; I231-F234 PolarHBondContact O-N 2.78Å; I231-P485 HydrophobicContact CG2-CB 4.4Å; I231-P486 HydrophobicContact CG1-CG 3.98Å; I231-P486 VanDerWaalsContact CG1-O 3.3Å; I231-P486 WeakPolarHBondContact CG1-O 3.41Å; I231-Y488 HydrophobicContact CD1-CD1 3.79Å; I231-Y488 HydrophobicContact CD1-CD2 4.2Å; I231-Y488 HydrophobicContact CD1-CE1 3.87Å; I231-Y488 HydrophobicContact CD1-CE2 4.28Å; I231-Y488 HydrophobicContact CD1-CG 3.96Å
232Q91Very high96.2Very high121 Ų12155 Ų5557%0.56527%0.271SS*.Hα-helixtrans-67-33.3-175.5-66.2-51.1-6000112.7H228 D229H228-Q232 WeakPolarHBondContact NE2-CG 3.23Å; H228-Q232 WeakPolarHBondContact O-CG 3.39Å; H228-Q232 PolarHBondContact O-N 3.37Å; D229-Q232 PolarHBondContact O-N 3.34Å
233T89.1Confident96.1Very high101 Ų10157.5 Ų57.562%0.6228%0.281SS*.Hα-helixtrans-92.9-4.8-177.8620000113.5D229 I231 K235D229-T233 WeakPolarHBondContact O-CB 3.36Å; D229-T233 WeakPolarHBondContact O-CG2 3.42Å; D229-T233 PolarHBondContact O-N 3.1Å; D229-T233 PolarHBondContact O-OG1 2.72Å; I231-T233 VanDerWaalsContact C-N 3.31Å; I231-T233 PolarHBondContact O-N 3.49Å; T233-K235 PolarHBondContact O-N 2.58Å
234F92.5Very high96Very high69 Ų6956.6 Ų56.630%0.30328%0.277SS..  trans-62.1131.5178.1-173.2-98.8000111.5D230 I231 P236 T483 G484 P485D230-F234 WeakPolarHBondContact O-CB 3.45Å; D230-F234 PolarHBondContact O-N 2.88Å; I231-F234 WeakPolarHBondContact O-CB 3.43Å; I231-F234 PolarHBondContact O-N 2.78Å; F234-P236 HydrophobicContact CD1-CG 4.03Å; F234-P236 HydrophobicContact CE1-CB 4.2Å; F234-P236 HydrophobicContact CE1-CG 3.96Å; F234-T483 WeakPolarHBondContact CE1-O 3.22Å; F234-T483 WeakPolarHBondContact CZ-OG1 3.49Å; F234-G484 VanDerWaalsContact CE1-C 3.42Å; F234-G484 VanDerWaalsContact CZ-O 3.26Å; F234-G484 WeakPolarHBondContact CZ-O 3.41Å; F234-P485 HydrophobicContact CB-CB 3.9Å; F234-P485 HydrophobicContact CD1-CB 3.69Å; F234-P485 HydrophobicContact CD1-CG 4.37Å; F234-P485 HydrophobicContact CD2-CB 4.46Å; F234-P485 HydrophobicContact CE1-CB 4.32Å; F234-P485 HydrophobicContact CG-CB 3.76Å
235K92.4Very high96Very high173 Ų17357.5 Ų57.575%0.75228%0.282SS*.  trans-113.1108.1174.5-65.7-175.4-177.5179.70108.9T233 E237T233-K235 PolarHBondContact O-N 2.58Å; K235-E237 PolarHBondContact O-N 2.89Å
236P94.7Very high95.8Very high73 Ų7357.5 Ų57.547%0.47428%0.282SS..  trans-56.9133177.9-25.934.6000112.1F234F234-P236 HydrophobicContact CD1-CG 4.03Å; F234-P236 HydrophobicContact CE1-CB 4.2Å; F234-P236 HydrophobicContact CE1-CG 3.96Å
237E96Very high95.6Very high120 Ų12051.8 Ų51.856%0.56126%0.258SS*.  trans-106.9128.2173.4-66-174.4-113.500109.6K235 F261 T483K235-E237 PolarHBondContact O-N 2.89Å; E237-F261 HydrophobicContact CB-CD1 4.01Å; E237-F261 HydrophobicContact CB-CE1 3.95Å; E237-T483 PolarHBondContact N-OG1 2.86Å; E237-T483 PolarHBondContact O-N 3.48Å; E237-T483 VanDerWaalsContact O-N 3.09Å
238S97.9Very high95.1Very high36 Ų3658.2 Ų58.225%0.25229%0.291SS..EExtended strand (participates in β ladder)trans-69.4134.8171-68.40000110.2S481 Q482S238-S481 WeakPolarHBondContact CA-O 3.25Å; S238-Q482 PolarHBondContact OG-NE2 2.81Å
239F98.1Very high94.8Very high26 Ų2661.5 Ų61.511%0.11431%0.314CS..EExtended strand (participates in β ladder)trans-134.3157.917368.3-93.6000110.7R259 V260 F261 S481 Q482 T483F239-R259 HydrophobicContact CB-CB 4.37Å; F239-R259 HydrophobicContact CD2-CB 3.6Å; F239-R259 HydrophobicContact CD2-CG 4.18Å; F239-R259 HydrophobicContact CE2-CB 4.25Å; F239-R259 HydrophobicContact CG-CB 4.29Å; F239-V260 CarbonylContact C-O 3.59Å; F239-V260 WeakPolarHBondContact CA-O 3.3Å; F239-F261 HydrophobicContact CB-CD1 3.83Å; F239-F261 HydrophobicContact CB-CE1 3.8Å; F239-F261 HydrophobicContact CB-CG 4.31Å; F239-F261 HydrophobicContact CB-CZ 4.23Å; F239-F261 HydrophobicContact CD1-CE1 4.46Å; F239-S481 VanDerWaalsContact CE2-CB 3.5Å; F239-S481 PolarHBondContact N-O 3.03Å; F239-S481 PolarHBondContact O-N 2.87Å; F239-S481 VanDerWaalsContact O-O 3.04Å; F239-Q482 VanDerWaalsContact CE1-C 3.42Å; F239-T483 HydrophobicContact CD1-CG2 3.92Å; F239-T483 HydrophobicContact CE1-CG2 4.09Å
240W98.3Very high94.7Very high21 Ų2164.6 Ų64.68%0.0833%0.328CS..EExtended strand (participates in β ladder)trans-125.7145.5178.9-59.9-92.8000110.4R259 V260 F261 K263 A266 L478 I479 E480W240-R259 CarbonylContact O-C 3.6Å; W240-R259 WeakPolarHBondContact O-CA 3.48Å; W240-V260 HydrophobicContact CB-CG2 4.26Å; W240-V260 PolarHBondContact N-O 3.39Å; W240-V260 WeakPolarHBondContact O-CG2 3.35Å; W240-V260 PolarHBondContact O-N 3.48Å; W240-F261 WeakPolarHBondContact CZ3-O 3.31Å; W240-K263 HydrophobicContact CD2-CB 4.18Å; W240-K263 HydrophobicContact CD2-CG 4.34Å; W240-K263 HydrophobicContact CE3-CB 4.19Å; W240-K263 HydrophobicContact CH2-CB 3.72Å; W240-K263 HydrophobicContact CH2-CD 4.48Å; W240-K263 HydrophobicContact CH2-CG 4.42Å; W240-K263 HydrophobicContact CZ2-CB 3.66Å; W240-K263 HydrophobicContact CZ2-CD 3.7Å; W240-K263 HydrophobicContact CZ2-CG 3.85Å; W240-K263 HydrophobicContact CZ3-CB 3.98Å; W240-A266 HydrophobicContact CB-CB 3.66Å; W240-A266 HydrophobicContact CG-CB 4.11Å; W240-L478 HydrophobicContact CB-CD1 3.77Å; W240-L478 HydrophobicContact CB-CG 4.28Å; W240-L478 HydrophobicContact CG-CD1 4.41Å; W240-L478 HydrophobicContact CG-CG 4.47Å; W240-I479 VanDerWaalsContact CA-O 3.26Å; W240-I479 WeakPolarHBondContact CA-O 3.42Å; W240-E480 HydrophobicContact CZ2-CG 4.32Å; W240-E480 VanDerWaalsContact NE1-CG 3.31Å; W240-E480 PolarHBondContact NE1-OE2 2.9Å
241H97.5Very high94.6Very high49 Ų4962.5 Ų62.523%0.22732%0.317CS..EExtended strand (participates in β ladder)trans-137.9152.6170.165.7-75.8000110.6W255 G258 R259 I479H241-W255 HydrophobicContact CB-CE3 4.23Å; H241-G258 WeakPolarHBondContact CB-O 3.35Å; H241-R259 HydrophobicContact CB-CB 4.48Å; H241-I479 VanDerWaalsContact CE1-CB 3.43Å; H241-I479 WeakPolarHBondContact CE1-CB 3.3Å; H241-I479 WeakPolarHBondContact CE1-CG2 3.49Å; H241-I479 PolarHBondContact N-O 2.74Å; H241-I479 PolarHBondContact O-N 2.93Å
242L97.5Very high94.7Very high0 Ų064.8 Ų64.80%033%0.333CS..EExtended strand (participates in β ladder)trans-86.1134.2173.8-60-178.1000109.4W255 L269 L270 V273 F435 R477 L478L242-W255 HydrophobicContact CB-CB 4.3Å; L242-W255 HydrophobicContact CB-CD2 3.95Å; L242-W255 HydrophobicContact CB-CE3 4.15Å; L242-W255 HydrophobicContact CB-CG 4.09Å; L242-W255 HydrophobicContact CD1-CD2 4.27Å; L242-W255 HydrophobicContact CD1-CH2 4.25Å; L242-W255 HydrophobicContact CD1-CZ2 3.76Å; L242-W255 HydrophobicContact CG-CD2 4.07Å; L242-W255 HydrophobicContact CG-CE3 4.13Å; L242-W255 HydrophobicContact CG-CH2 4.13Å; L242-W255 HydrophobicContact CG-CZ2 4.07Å; L242-W255 HydrophobicContact CG-CZ3 4.17Å; L242-W255 WeakPolarHBondContact O-CB 3.45Å; L242-L269 HydrophobicContact CD1-CB 4.31Å; L242-L270 HydrophobicContact CD2-CB 3.84Å; L242-L270 HydrophobicContact CD2-CD1 3.72Å; L242-L270 HydrophobicContact CD2-CG 4.4Å; L242-V273 HydrophobicContact CD1-CG2 4.04Å; L242-F435 HydrophobicContact CB-CE1 3.85Å; L242-F435 HydrophobicContact CB-CZ 4.1Å; L242-F435 HydrophobicContact CD1-CZ 4.17Å; L242-R477 WeakPolarHBondContact CA-O 3.21Å; L242-L478 HydrophobicContact CD2-CB 4.45Å; L242-L478 HydrophobicContact CD2-CD1 3.66Å
243Q95.8Very high95Very high59 Ų5959 Ų5928%0.27631%0.306SS..EExtended strand (participates in β ladder)trans-114.9124.3168.2-177178.473.700108.1T252 V476 R477 I479Q243-T252 HydrophobicContact CG-CG2 3.61Å; Q243-V476 WeakPolarHBondContact O-CA 3.39Å; Q243-R477 PolarHBondContact N-O 3.14Å; Q243-R477 PolarHBondContact O-N 3.14Å; Q243-I479 HydrophobicContact CB-CD1 3.8Å; Q243-I479 HydrophobicContact CB-CG1 4.27Å; Q243-I479 HydrophobicContact CG-CD1 4.38Å
244L97.3Very high95.3Very high0 Ų061.5 Ų61.50%031%0.31CS..EExtended strand (participates in β ladder)trans-109.8132.8-179.9-177.973.9000109.4L253 V430 F435 I473 V476L244-L253 HydrophobicContact CB-CB 4.25Å; L244-L253 HydrophobicContact CB-CD1 4.41Å; L244-L253 HydrophobicContact CD2-CD1 3.73Å; L244-L253 HydrophobicContact CG-CD1 4.05Å; L244-L253 PolarHBondContact N-O 2.82Å; L244-L253 PolarHBondContact O-N 3Å; L244-V430 HydrophobicContact CD2-CG2 3.8Å; L244-F435 HydrophobicContact CB-CD1 3.62Å; L244-F435 HydrophobicContact CB-CE1 3.75Å; L244-F435 HydrophobicContact CB-CG 4.04Å; L244-F435 HydrophobicContact CB-CZ 4.27Å; L244-F435 HydrophobicContact CD2-CB 4.03Å; L244-F435 HydrophobicContact CD2-CD1 4.15Å; L244-F435 HydrophobicContact CD2-CD2 3.64Å; L244-F435 HydrophobicContact CD2-CE2 4.11Å; L244-F435 HydrophobicContact CD2-CG 3.67Å; L244-I473 HydrophobicContact CD1-CD1 4.41Å; L244-I473 HydrophobicContact CD1-CG1 4.24Å; L244-I473 HydrophobicContact CD1-CG2 3.61Å; L244-V476 HydrophobicContact CD1-CB 3.94Å; L244-V476 HydrophobicContact CD1-CG2 4.19Å
245L97Very high95.5Very high19 Ų1958.7 Ų58.710%0.09930%0.298CS..EExtended strand (participates in β ladder)trans-110.7122.2170.9-69167.6000108E250 V251 T252 N474 D475L245-E250 HydrophobicContact CB-CG 3.84Å; L245-E250 HydrophobicContact CD2-CG 3.94Å; L245-E250 HydrophobicContact CG-CG 4.39Å; L245-V251 WeakPolarHBondContact CA-O 3.37Å; L245-T252 HydrophobicContact CD2-CG2 4.22Å; L245-T252 WeakPolarHBondContact CD2-OG1 3.34Å; L245-N474 HydrophobicContact CB-CB 4.41Å; L245-N474 PolarHBondContact O-N 3.15Å; L245-D475 HydrophobicContact CB-CB 4.11Å; L245-D475 HydrophobicContact CD1-CB 3.98Å; L245-D475 PolarHBondContact N-O 2.72Å; L245-D475 PolarHBondContact O-N 2.92Å
246A96.1Very high95.7Very high0 Ų053.7 Ų53.70%029%0.288CS..EExtended strand (participates in β ladder)trans-145.7153.9-177.400000113V251 L253 V471 A472A246-V251 PolarHBondContact N-O 3.32Å; A246-V251 VanDerWaalsContact N-O 3.09Å; A246-V251 PolarHBondContact O-N 3.01Å; A246-L253 HydrophobicContact CB-CD1 3.73Å; A246-V471 HydrophobicContact CB-CG2 4.27Å; A246-A472 VanDerWaalsContact CA-O 3.32Å; A246-A472 WeakPolarHBondContact CA-O 3.33Å; A246-A472 WeakPolarHBondContact CB-O 3.43Å
247G92.7Very high95.7Very high6 Ų656.9 Ų56.96%0.06229%0.291CS..THydrogen-bonded Turntrans88.7177.1174.800000115.4P249 E250 A472 N474G247-P249 CarbonylContact C-O 3.26Å; G247-P249 VanDerWaalsContact C-O 3.25Å; G247-P249 CarbonylContact O-C 3.35Å; G247-E250 WeakPolarHBondContact O-CA 3Å; G247-A472 PolarHBondContact N-O 3.04Å; G247-N474 PolarHBondContact O-ND2 3.01Å
248Q89.5Confident95.7Very high185 Ų18553.3 Ų53.386%0.86429%0.286SS*.THydrogen-bonded Turntrans-135.4113.8171.1-81.1-175-16.600109
249P91.3Very high95.7Very high95 Ų9557.7 Ų57.762%0.61730%0.297SS*.THydrogen-bonded Turncis-60.1155.2-3.328.4-35.5000112.4G247 P464G247-P249 CarbonylContact C-O 3.26Å; G247-P249 VanDerWaalsContact C-O 3.25Å; G247-P249 CarbonylContact O-C 3.35Å; P249-P464 HydrophobicContact CG-CG 4.35Å
250E93.1Very high95.6Very high105 Ų10557.6 Ų57.649%0.49130%0.299SS..THydrogen-bonded Turntrans-67.6132.5-179.3-176.7171.493.600110.9L245 G247 N474L245-E250 HydrophobicContact CB-CG 3.84Å; L245-E250 HydrophobicContact CD2-CG 3.94Å; L245-E250 HydrophobicContact CG-CG 4.39Å; G247-E250 WeakPolarHBondContact O-CA 3Å; E250-N474 WeakPolarHBondContact CG-ND2 3.48Å; E250-N474 WeakPolarHBondContact OE2-CB 3.33Å; E250-N474 PolarHBondContact OE2-ND2 3Å
251V95Very high95.6Very high27 Ų2761.1 Ų61.116%0.16432%0.315CS..EExtended strand (participates in β ladder)trans-121.7131.9178.2-1790000110L245 A246 C437 P464 F465L245-V251 WeakPolarHBondContact CA-O 3.37Å; A246-V251 PolarHBondContact N-O 3.32Å; A246-V251 VanDerWaalsContact N-O 3.09Å; A246-V251 PolarHBondContact O-N 3.01Å; V251-C437 HydrophobicContact CG1-CB 3.96Å; V251-P464 HydrophobicContact CG2-CG 4Å; V251-F465 HydrophobicContact CB-CE2 4.19Å; V251-F465 HydrophobicContact CB-CZ 3.93Å; V251-F465 HydrophobicContact CG1-CE2 4.23Å; V251-F465 HydrophobicContact CG1-CZ 4.46Å; V251-F465 HydrophobicContact CG2-CE2 4.36Å; V251-F465 HydrophobicContact CG2-CZ 4.1Å
252T95.6Very high95.6Very high76 Ų7664.9 Ų64.947%0.46633%0.33SS..EExtended strand (participates in β ladder)trans-77.9126.8170.3-48.10000110.3Q243 L245Q243-T252 HydrophobicContact CG-CG2 3.61Å; L245-T252 HydrophobicContact CD2-CG2 4.22Å; L245-T252 WeakPolarHBondContact CD2-OG1 3.34Å
253L96.7Very high95.6Very high0 Ų069.4 Ų69.40%035%0.35CS..EExtended strand (participates in β ladder)trans-115.4135.4-178.4-60.9144.5000110.1L244 A246 L428 F435 C437 F465L244-L253 HydrophobicContact CB-CB 4.25Å; L244-L253 HydrophobicContact CB-CD1 4.41Å; L244-L253 HydrophobicContact CD2-CD1 3.73Å; L244-L253 HydrophobicContact CG-CD1 4.05Å; L244-L253 PolarHBondContact N-O 2.82Å; L244-L253 PolarHBondContact O-N 3Å; A246-L253 HydrophobicContact CB-CD1 3.73Å; L253-L428 HydrophobicContact CD1-CD2 3.98Å; L253-L428 HydrophobicContact CD2-CD1 3.83Å; L253-L428 HydrophobicContact CD2-CD2 4.38Å; L253-F435 HydrophobicContact CB-CB 3.86Å; L253-C437 HydrophobicContact CD2-CB 3.84Å; L253-F465 HydrophobicContact CD2-CE2 4.07Å
254E95.6Very high95.6Very high152 Ų15272 Ų7271%0.7137%0.366SS*.EExtended strand (participates in β ladder)trans-84.4141.6175.7-63.9-164.9163.300111F435 S436E254-F435 CarbonylContact O-C 3.51Å; E254-F435 WeakPolarHBondContact O-CA 3.29Å; E254-S436 PolarHBondContact N-O 3.1Å; E254-S436 PolarHBondContact O-N 2.76Å
255W97.5Very high95.6Very high11 Ų1175.1 Ų75.14%0.04238%0.381CS..EExtended strand (participates in β ladder)trans-77.8128.8179.7-172.934.5000111.5H241 L242 R257 G258 V260 L269 E433 F435H241-W255 HydrophobicContact CB-CE3 4.23Å; L242-W255 HydrophobicContact CB-CB 4.3Å; L242-W255 HydrophobicContact CB-CD2 3.95Å; L242-W255 HydrophobicContact CB-CE3 4.15Å; L242-W255 HydrophobicContact CB-CG 4.09Å; L242-W255 HydrophobicContact CD1-CD2 4.27Å; L242-W255 HydrophobicContact CD1-CH2 4.25Å; L242-W255 HydrophobicContact CD1-CZ2 3.76Å; L242-W255 HydrophobicContact CG-CD2 4.07Å; L242-W255 HydrophobicContact CG-CE3 4.13Å; L242-W255 HydrophobicContact CG-CH2 4.13Å; L242-W255 HydrophobicContact CG-CZ2 4.07Å; L242-W255 HydrophobicContact CG-CZ3 4.17Å; L242-W255 WeakPolarHBondContact O-CB 3.45Å; W255-R257 HydrophobicContact CD2-CB 3.9Å; W255-R257 HydrophobicContact CD2-CG 4.38Å; W255-R257 HydrophobicContact CE3-CB 4.14Å; W255-R257 HydrophobicContact CG-CB 4.45Å; W255-R257 HydrophobicContact CH2-CB 4.38Å; W255-R257 HydrophobicContact CZ2-CB 4.13Å; W255-R257 VanDerWaalsContact CZ2-CD 3.49Å; W255-R257 HydrophobicContact CZ2-CG 4.06Å; W255-R257 HydrophobicContact CZ3-CB 4.37Å; W255-R257 PolarHBondContact O-N 2.93Å; W255-R257 VanDerWaalsContact O-N 3.09Å; W255-G258 PolarHBondContact O-N 2.9Å; W255-V260 HydrophobicContact CH2-CG1 3.81Å; W255-V260 HydrophobicContact CH2-CG2 4.19Å; W255-V260 HydrophobicContact CZ3-CG1 3.99Å; W255-V260 HydrophobicContact CZ3-CG2 4.11Å; W255-L269 HydrophobicContact CH2-CB 4.46Å; W255-L269 HydrophobicContact CH2-CD1 3.67Å; W255-L269 HydrophobicContact CZ2-CB 4.21Å; W255-L269 HydrophobicContact CZ2-CD1 3.69Å; W255-L269 HydrophobicContact CZ2-CG 4.46Å; W255-E433 PolarHBondContact NE1-OE2 3.47Å; W255-F435 HydrophobicContact CB-CD1 4.05Å; W255-F435 HydrophobicContact CB-CE1 3.87Å; W255-F435 AromaticContact CD1-CE1 3.69Å; W255-F435 AromaticContact CD1-CZ 3.84Å; W255-F435 HydrophobicContact CG-CD1 4.45Å; W255-F435 AromaticContact CG-CE1 3.97Å; W255-F435 HydrophobicContact CG-CE1 3.97Å; W255-F435 HydrophobicContact CG-CZ 4.46Å
256A96.4Very high95.6Very high67 Ų6774.2 Ų74.255%0.55438%0.377SS*.THydrogen-bonded Turntrans-63.4-20.5-175.300000113.9G258 T434A256-G258 PolarHBondContact O-N 3.08Å; A256-T434 HydrophobicContact CB-CG2 4.23Å; A256-T434 WeakPolarHBondContact CB-O 3.29Å; A256-T434 PolarHBondContact N-O 3.44Å
257R95.2Very high95.7Very high141 Ų14177.5 Ų77.553%0.53239%0.394SS..THydrogen-bonded Turntrans-76.5-10.8173.5-59.1-169-170.8-89.8-0.5113.2W255 R259 E433W255-R257 HydrophobicContact CD2-CB 3.9Å; W255-R257 HydrophobicContact CD2-CG 4.38Å; W255-R257 HydrophobicContact CE3-CB 4.14Å; W255-R257 HydrophobicContact CG-CB 4.45Å; W255-R257 HydrophobicContact CH2-CB 4.38Å; W255-R257 HydrophobicContact CZ2-CB 4.13Å; W255-R257 VanDerWaalsContact CZ2-CD 3.49Å; W255-R257 HydrophobicContact CZ2-CG 4.06Å; W255-R257 HydrophobicContact CZ3-CB 4.37Å; W255-R257 PolarHBondContact O-N 2.93Å; W255-R257 VanDerWaalsContact O-N 3.09Å; R257-R259 VanDerWaalsContact C-N 3.33Å; R257-R259 PolarHBondContact O-N 3.43Å; R257-E433 IonicContact CZ-OE1 3.76Å; R257-E433 IonicContact CZ-OE2 3.31Å; R257-E433 IonicContact NE-OE1 2.77Å; R257-E433 PolarHBondContact NE-OE1 3.01Å; R257-E433 IonicContact NE-OE2 3.58Å; R257-E433 PolarHBondContact NE-OE2 3.33Å; R257-E433 IonicContact NH2-OE1 4Å; R257-E433 PolarHBondContact NH2-OE1 2.99Å; R257-E433 IonicContact NH2-OE2 2.76Å
258G96.3Very high95.9Very high44 Ų4480.9 Ų80.945%0.45441%0.409SS..  trans70.5-85.3-170.100000110.9H241 W255 A256H241-G258 WeakPolarHBondContact CB-O 3.35Å; W255-G258 PolarHBondContact O-N 2.9Å; A256-G258 PolarHBondContact O-N 3.08Å
259R96.4Very high96.3Very high129 Ų12972.6 Ų72.649%0.48737%0.37SS..  trans-147.3157.6-174.759.3-177.4163.2-164.4-4.9112.7F239 W240 H241 R257 F261F239-R259 HydrophobicContact CB-CB 4.37Å; F239-R259 HydrophobicContact CD2-CB 3.6Å; F239-R259 HydrophobicContact CD2-CG 4.18Å; F239-R259 HydrophobicContact CE2-CB 4.25Å; F239-R259 HydrophobicContact CG-CB 4.29Å; W240-R259 CarbonylContact O-C 3.6Å; W240-R259 WeakPolarHBondContact O-CA 3.48Å; H241-R259 HydrophobicContact CB-CB 4.48Å; R257-R259 VanDerWaalsContact C-N 3.33Å; R257-R259 PolarHBondContact O-N 3.43Å; R259-F261 HydrophobicContact CG-CE2 4.27Å
260V97.4Very high96.6Very high24 Ų2468.8 Ų68.815%0.14535%0.345CS..BIsolated β-bridgetrans-125.4144172.5-65.70000110.7F239 W240 W255 A266F239-V260 CarbonylContact C-O 3.59Å; F239-V260 WeakPolarHBondContact CA-O 3.3Å; W240-V260 HydrophobicContact CB-CG2 4.26Å; W240-V260 PolarHBondContact N-O 3.39Å; W240-V260 WeakPolarHBondContact O-CG2 3.35Å; W240-V260 PolarHBondContact O-N 3.48Å; W255-V260 HydrophobicContact CH2-CG1 3.81Å; W255-V260 HydrophobicContact CH2-CG2 4.19Å; W255-V260 HydrophobicContact CZ3-CG1 3.99Å; W255-V260 HydrophobicContact CZ3-CG2 4.11Å; V260-A266 HydrophobicContact CG2-CB 3.4Å; V260-A266 VanDerWaalsContact CG2-CB 3.4Å
261F97.5Very high96.8Very high95 Ų9567.8 Ų67.842%0.41734%0.343SS..SBendtrans-98.68.2-178.5-70-91.5000113.5E237 F239 W240 R259 T483E237-F261 HydrophobicContact CB-CD1 4.01Å; E237-F261 HydrophobicContact CB-CE1 3.95Å; F239-F261 HydrophobicContact CB-CD1 3.83Å; F239-F261 HydrophobicContact CB-CE1 3.8Å; F239-F261 HydrophobicContact CB-CG 4.31Å; F239-F261 HydrophobicContact CB-CZ 4.23Å; F239-F261 HydrophobicContact CD1-CE1 4.46Å; W240-F261 WeakPolarHBondContact CZ3-O 3.31Å; R259-F261 HydrophobicContact CG-CE2 4.27Å; F261-T483 HydrophobicContact CE1-CG2 4.12Å; F261-T483 HydrophobicContact CZ-CG2 4.46Å
262K97.4Very high96.8Very high128 Ų12871.7 Ų71.756%0.55736%0.355SS*.  trans-122.9114.9-179.9-74.8-166.8178.4-175.40110.3D264 I265 A266K262-D264 WeakPolarHBondContact CB-OD1 3.45Å; K262-D264 PolarHBondContact O-N 3.12Å; K262-I265 HydrophobicContact CB-CB 4.08Å; K262-I265 HydrophobicContact CB-CD1 3.94Å; K262-I265 HydrophobicContact CB-CG1 3.93Å; K262-I265 HydrophobicContact CD-CD1 3.72Å; K262-I265 HydrophobicContact CD-CG1 4.34Å; K262-I265 HydrophobicContact CG-CD1 4.4Å; K262-I265 PolarHBondContact O-N 3.43Å; K262-A266 PolarHBondContact O-N 2.94Å
263K97.1Very high96.9Very high95 Ų9568.1 Ų68.141%0.41333%0.333SS..Hα-helixtrans-62.7-41.9-173.6-169.7167.3-1741490112.9W240 A266 I267 E480W240-K263 HydrophobicContact CD2-CB 4.18Å; W240-K263 HydrophobicContact CD2-CG 4.34Å; W240-K263 HydrophobicContact CE3-CB 4.19Å; W240-K263 HydrophobicContact CH2-CB 3.72Å; W240-K263 HydrophobicContact CH2-CD 4.48Å; W240-K263 HydrophobicContact CH2-CG 4.42Å; W240-K263 HydrophobicContact CZ2-CB 3.66Å; W240-K263 HydrophobicContact CZ2-CD 3.7Å; W240-K263 HydrophobicContact CZ2-CG 3.85Å; W240-K263 HydrophobicContact CZ3-CB 3.98Å; K263-A266 WeakPolarHBondContact O-CB 2.92Å; K263-A266 PolarHBondContact O-N 2.94Å; K263-I267 HydrophobicContact CG-CD1 3.93Å; K263-I267 HydrophobicContact CG-CG1 4.46Å; K263-I267 VanDerWaalsContact O-CG1 3.29Å; K263-I267 WeakPolarHBondContact O-CG1 3.46Å; K263-I267 PolarHBondContact O-N 3.33Å; K263-E480 IonicContact NZ-OE2 3.46Å; K263-E480 PolarHBondContact NZ-OE2 2.98Å
264D97.6Very high96.9Very high113 Ų11373.2 Ų73.260%0.60436%0.355SS*.Hα-helixtrans-60.2-45.2176.658.8-37.2000111.9K262 A266 I267 M268K262-D264 WeakPolarHBondContact CB-OD1 3.45Å; K262-D264 PolarHBondContact O-N 3.12Å; D264-A266 VanDerWaalsContact C-N 3.33Å; D264-A266 PolarHBondContact O-N 3.23Å; D264-I267 PolarHBondContact O-N 3.46Å; D264-M268 WeakPolarHBondContact O-CB 3.26Å; D264-M268 PolarHBondContact O-N 3.1Å
265I97.1Very high96.9Very high65 Ų6573 Ų7333%0.33335%0.354SS..Hα-helixtrans-62.5-43.3173.6-62.1-174.3000110.4K262 I267 M268 L269K262-I265 HydrophobicContact CB-CB 4.08Å; K262-I265 HydrophobicContact CB-CD1 3.94Å; K262-I265 HydrophobicContact CB-CG1 3.93Å; K262-I265 HydrophobicContact CD-CD1 3.72Å; K262-I265 HydrophobicContact CD-CG1 4.34Å; K262-I265 HydrophobicContact CG-CD1 4.4Å; K262-I265 PolarHBondContact O-N 3.43Å; I265-I267 PolarHBondContact O-N 3.06Å; I265-M268 HydrophobicContact CG2-CE 4.31Å; I265-M268 PolarHBondContact O-N 3.47Å; I265-L269 HydrophobicContact CG2-CD1 3.73Å; I265-L269 HydrophobicContact CG2-CG 4.36Å; I265-L269 VanDerWaalsContact O-CG 3.26Å; I265-L269 WeakPolarHBondContact O-CG 3.25Å; I265-L269 PolarHBondContact O-N 3.32Å
266A96.9Very high96.9Very high0 Ų076 Ų760%037%0.368CS..Hα-helixtrans-63.4-41.8-18000000112.3W240 V260 K262 K263 D264 L269 L270 L478W240-A266 HydrophobicContact CB-CB 3.66Å; W240-A266 HydrophobicContact CG-CB 4.11Å; V260-A266 HydrophobicContact CG2-CB 3.4Å; V260-A266 VanDerWaalsContact CG2-CB 3.4Å; K262-A266 PolarHBondContact O-N 2.94Å; K263-A266 WeakPolarHBondContact O-CB 2.92Å; K263-A266 PolarHBondContact O-N 2.94Å; D264-A266 VanDerWaalsContact C-N 3.33Å; D264-A266 PolarHBondContact O-N 3.23Å; A266-L269 PolarHBondContact O-N 2.95Å; A266-L270 WeakPolarHBondContact O-CB 3.37Å; A266-L270 PolarHBondContact O-N 2.9Å; A266-L478 HydrophobicContact CB-CD1 3.71Å; A266-L478 HydrophobicContact CB-CD2 4.32Å
267I97.7Very high96.9Very high69 Ų6980.6 Ų80.635%0.35438%0.376SS..Hα-helixtrans-66-43.5175.2-69.8167.5000110.8K263 D264 I265 L269 L270 N271 L478K263-I267 HydrophobicContact CG-CD1 3.93Å; K263-I267 HydrophobicContact CG-CG1 4.46Å; K263-I267 VanDerWaalsContact O-CG1 3.29Å; K263-I267 WeakPolarHBondContact O-CG1 3.46Å; K263-I267 PolarHBondContact O-N 3.33Å; D264-I267 PolarHBondContact O-N 3.46Å; I265-I267 PolarHBondContact O-N 3.06Å; I267-L269 VanDerWaalsContact C-N 3.31Å; I267-L269 PolarHBondContact O-N 3.49Å; I267-L270 WeakPolarHBondContact O-CB 3.11Å; I267-L270 PolarHBondContact O-N 2.68Å; I267-N271 WeakPolarHBondContact O-CB 3.37Å; I267-N271 VanDerWaalsContact O-CG 3.24Å; I267-N271 PolarHBondContact O-N 2.92Å; I267-N271 PolarHBondContact O-ND2 2.81Å; I267-L478 HydrophobicContact CG1-CD2 4.03Å
268M97.4Very high96.9Very high78 Ų7879.7 Ų79.738%0.38438%0.375SS..Hα-helixtrans-57.7-46175.7178.1-154.663.400111D264 I265 N271 R272D264-M268 WeakPolarHBondContact O-CB 3.26Å; D264-M268 PolarHBondContact O-N 3.1Å; I265-M268 HydrophobicContact CG2-CE 4.31Å; I265-M268 PolarHBondContact O-N 3.47Å; M268-N271 PolarHBondContact O-N 2.97Å; M268-R272 WeakPolarHBondContact O-CG 3.43Å; M268-R272 PolarHBondContact O-N 3.22Å; M268-R272 VanDerWaalsContact O-N 3.16Å
269L97.3Very high97Very high10 Ų1077.6 Ų77.65%0.05235%0.354CS..Hα-helixtrans-67.5-41.1178.9-65.9167.3000111.5L242 W255 I265 A266 I267 N271 R272 V273 E433L242-L269 HydrophobicContact CD1-CB 4.31Å; W255-L269 HydrophobicContact CH2-CB 4.46Å; W255-L269 HydrophobicContact CH2-CD1 3.67Å; W255-L269 HydrophobicContact CZ2-CB 4.21Å; W255-L269 HydrophobicContact CZ2-CD1 3.69Å; W255-L269 HydrophobicContact CZ2-CG 4.46Å; I265-L269 HydrophobicContact CG2-CD1 3.73Å; I265-L269 HydrophobicContact CG2-CG 4.36Å; I265-L269 VanDerWaalsContact O-CG 3.26Å; I265-L269 WeakPolarHBondContact O-CG 3.25Å; I265-L269 PolarHBondContact O-N 3.32Å; A266-L269 PolarHBondContact O-N 2.95Å; I267-L269 VanDerWaalsContact C-N 3.31Å; I267-L269 PolarHBondContact O-N 3.49Å; L269-N271 VanDerWaalsContact C-N 3.34Å; L269-N271 PolarHBondContact O-N 3.46Å; L269-R272 PolarHBondContact O-N 2.77Å; L269-V273 WeakPolarHBondContact O-CG2 3.26Å; L269-V273 PolarHBondContact O-N 3.27Å; L269-E433 WeakPolarHBondContact CD2-OE1 3.38Å
270L97.3Very high97Very high16 Ų1673.9 Ų73.98%0.08435%0.346CS..Hα-helixtrans-56.2-48172.9179.271.7000111.5L242 A266 I267 R272 V273 K274 V476 L478L242-L270 HydrophobicContact CD2-CB 3.84Å; L242-L270 HydrophobicContact CD2-CD1 3.72Å; L242-L270 HydrophobicContact CD2-CG 4.4Å; A266-L270 WeakPolarHBondContact O-CB 3.37Å; A266-L270 PolarHBondContact O-N 2.9Å; I267-L270 WeakPolarHBondContact O-CB 3.11Å; I267-L270 PolarHBondContact O-N 2.68Å; L270-R272 VanDerWaalsContact C-N 3.34Å; L270-R272 PolarHBondContact O-N 2.72Å; L270-V273 PolarHBondContact O-N 2.96Å; L270-K274 HydrophobicContact CD1-CD 4.47Å; L270-K274 HydrophobicContact CD1-CG 4.49Å; L270-K274 HydrophobicContact CD2-CD 4.5Å; L270-K274 HydrophobicContact CG-CD 4.1Å; L270-K274 HydrophobicContact CG-CG 4.43Å; L270-K274 WeakPolarHBondContact O-CG 3.41Å; L270-K274 PolarHBondContact O-N 3.27Å; L270-V476 HydrophobicContact CD1-CG1 4.24Å; L270-V476 HydrophobicContact CD1-CG2 3.95Å; L270-L478 HydrophobicContact CD1-CB 4.32Å; L270-L478 HydrophobicContact CD2-CB 3.92Å
271N97Very high97.1Very high83 Ų8372.8 Ų72.844%0.44434%0.339SS..Hα-helixtrans-62.6-42.2-177.5-71.6-16.5000111.3I267 M268 L269 V273 K274 E275I267-N271 WeakPolarHBondContact O-CB 3.37Å; I267-N271 VanDerWaalsContact O-CG 3.24Å; I267-N271 PolarHBondContact O-N 2.92Å; I267-N271 PolarHBondContact O-ND2 2.81Å; M268-N271 PolarHBondContact O-N 2.97Å; L269-N271 VanDerWaalsContact C-N 3.34Å; L269-N271 PolarHBondContact O-N 3.46Å; N271-V273 PolarHBondContact O-N 2.94Å; N271-K274 PolarHBondContact O-N 3.37Å; N271-E275 PolarHBondContact O-N 3.42Å
272R96.2Very high97.1Very high110 Ų11072.8 Ų72.842%0.41534%0.34SS..Hα-helixtrans-60.5-42.9173.9-71.6179.5179177.60.1112.4M268 L269 L270 K274 E275 H276M268-R272 WeakPolarHBondContact O-CG 3.43Å; M268-R272 PolarHBondContact O-N 3.22Å; M268-R272 VanDerWaalsContact O-N 3.16Å; L269-R272 PolarHBondContact O-N 2.77Å; L270-R272 VanDerWaalsContact C-N 3.34Å; L270-R272 PolarHBondContact O-N 2.72Å; R272-K274 VanDerWaalsContact C-N 3.33Å; R272-K274 PolarHBondContact O-N 3Å; R272-E275 WeakPolarHBondContact O-CB 3.43Å; R272-E275 PolarHBondContact O-N 3.44Å; R272-H276 PolarHBondContact O-CD2 2.95Å; R272-H276 VanDerWaalsContact O-CD2 3.26Å
273V96.8Very high97.1Very high1 Ų168.3 Ų68.31%0.00633%0.325CS..Hα-helixtrans-66.2-37.8177.8176.40000111.1L242 L269 L270 N271 E275 H276 V430 E433 F435 V476L242-V273 HydrophobicContact CD1-CG2 4.04Å; L269-V273 WeakPolarHBondContact O-CG2 3.26Å; L269-V273 PolarHBondContact O-N 3.27Å; L270-V273 PolarHBondContact O-N 2.96Å; N271-V273 PolarHBondContact O-N 2.94Å; V273-E275 PolarHBondContact O-N 2.89Å; V273-H276 PolarHBondContact O-N 2.71Å; V273-H276 VanDerWaalsContact O-N 3.15Å; V273-V430 HydrophobicContact CG1-CB 4.23Å; V273-V430 HydrophobicContact CG1-CG1 3.8Å; V273-E433 HydrophobicContact CG2-CB 3.89Å; V273-E433 HydrophobicContact CG2-CG 3.73Å; V273-F435 HydrophobicContact CG1-CE2 4.28Å; V273-F435 HydrophobicContact CG1-CZ 4.28Å; V273-F435 HydrophobicContact CG2-CE2 4.28Å; V273-F435 HydrophobicContact CG2-CZ 4.26Å; V273-V476 HydrophobicContact CG1-CB 4.33Å; V273-V476 HydrophobicContact CG1-CG1 4.35Å; V273-V476 HydrophobicContact CG1-CG2 3.8Å
274K96.2Very high97.1Very high107 Ų10765.9 Ų65.947%0.46532%0.318SS..Hα-helixtrans-65.5-20.6178.7-78.8-177.9173-176.70114.7L270 N271 R272 H276 V476L270-K274 HydrophobicContact CD1-CD 4.47Å; L270-K274 HydrophobicContact CD1-CG 4.49Å; L270-K274 HydrophobicContact CD2-CD 4.5Å; L270-K274 HydrophobicContact CG-CD 4.1Å; L270-K274 HydrophobicContact CG-CG 4.43Å; L270-K274 WeakPolarHBondContact O-CG 3.41Å; L270-K274 PolarHBondContact O-N 3.27Å; N271-K274 PolarHBondContact O-N 3.37Å; R272-K274 VanDerWaalsContact C-N 3.33Å; R272-K274 PolarHBondContact O-N 3Å; K274-H276 PolarHBondContact O-N 3Å; K274-V476 HydrophobicContact CD-CG1 4.46Å; K274-V476 HydrophobicContact CG-CG1 3.46Å; K274-V476 VanDerWaalsContact CG-CG1 3.46Å
275E96.4Very high97Very high146 Ų14663.3 Ų63.368%0.68231%0.312SS*.THydrogen-bonded Turntrans-66.8-18.4174.5-70.4168.8-166.400112.2N271 R272 V273N271-E275 PolarHBondContact O-N 3.42Å; R272-E275 WeakPolarHBondContact O-CB 3.43Å; R272-E275 PolarHBondContact O-N 3.44Å; V273-E275 PolarHBondContact O-N 2.89Å
276H97Very high97Very high74 Ų7463.5 Ų63.534%0.34332%0.32SS..  trans-101.3140-179.6-59.3-79.7000111.9R272 V273 K274 V430 G431 I473R272-H276 PolarHBondContact O-CD2 2.95Å; R272-H276 VanDerWaalsContact O-CD2 3.26Å; V273-H276 PolarHBondContact O-N 2.71Å; V273-H276 VanDerWaalsContact O-N 3.15Å; K274-H276 PolarHBondContact O-N 3Å; H276-V430 HydrophobicContact CB-CG1 3.46Å; H276-V430 VanDerWaalsContact CB-CG1 3.46Å; H276-G431 VanDerWaalsContact NE2-CA 3.29Å; H276-G431 WeakPolarHBondContact NE2-CA 3.07Å; H276-I473 HydrophobicContact CB-CD1 4.28Å
277K95.8Very high97Very high165 Ų16570.3 Ų70.372%0.71735%0.349SS*.SBendtrans-101.4-11174.7-61.3-57.9-175.6-171.30113.9I473K277-I473 PolarHBondContact O-N 3.26Å
278K96.6Very high97.1Very high121 Ų12171.2 Ų71.253%0.52635%0.352SS..EExtended strand (participates in β ladder)trans-135.2144.8-178.1-63.5-177.4-178.9-178.80110Q470 V471K278-Q470 HydrophobicContact CB-CB 4.36Å; K278-Q470 HydrophobicContact CD-CB 4.11Å; K278-Q470 VanDerWaalsContact CD-OE1 3.29Å; K278-V471 CarbonylContact C-O 3.57Å; K278-V471 WeakPolarHBondContact CA-O 3.25Å
279A97.1Very high97.1Very high0 Ų068.4 Ų68.40%034%0.341CS..EExtended strand (participates in β ladder)trans-104.9140.7170.600000109.3L428 S429 V430 Q470 V471 I473A279-L428 HydrophobicContact CB-CB 4.23Å; A279-L428 HydrophobicContact CB-CD2 3.97Å; A279-S429 CarbonylContact C-O 3.57Å; A279-S429 WeakPolarHBondContact CA-O 3.44Å; A279-V430 HydrophobicContact CB-CG2 3.57Å; A279-Q470 CarbonylContact O-C 3.58Å; A279-Q470 WeakPolarHBondContact O-CA 3.19Å; A279-V471 HydrophobicContact CB-CG2 4.08Å; A279-V471 PolarHBondContact N-O 2.81Å; A279-V471 PolarHBondContact O-N 2.88Å; A279-I473 HydrophobicContact CB-CD1 4.35Å; A279-I473 HydrophobicContact CB-CG1 4.06Å
280T97.9Very high97.1Very high52 Ų5273.9 Ų73.932%0.31936%0.362SS..EExtended strand (participates in β ladder)trans-94.5127.1176.9-57.40000109.3E282 L428 S429T280-E282 PolarHBondContact O-N 2.91Å; T280-L428 CarbonylContact O-C 3.58Å; T280-L428 WeakPolarHBondContact O-CA 3.35Å; T280-S429 PolarHBondContact N-O 2.8Å; T280-S429 PolarHBondContact O-N 3.37Å
281V97.9Very high97.1Very high1 Ų177.4 Ų77.41%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-77.7102.5175.7-173.70000108.8V284 L428 F465 V466 G468 T469 V471V281-V284 HydrophobicContact CG1-CG2 3.63Å; V281-L428 HydrophobicContact CG2-CD2 4.37Å; V281-L428 HydrophobicContact CG2-CG 4.15Å; V281-F465 HydrophobicContact CG1-CB 3.93Å; V281-F465 HydrophobicContact CG2-CB 3.99Å; V281-F465 HydrophobicContact CG2-CD1 4.32Å; V281-F465 HydrophobicContact CG2-CG 4.33Å; V281-V466 WeakPolarHBondContact CB-O 3.29Å; V281-G468 PolarHBondContact O-N 3.4Å; V281-T469 PolarHBondContact N-O 3.06Å; V281-V471 HydrophobicContact CG2-CG1 4.19Å; V281-V471 HydrophobicContact CG2-CG2 4.44Å
282E97.4Very high97.1Very high94 Ų9476.4 Ų76.444%0.43938%0.376SS..EExtended strand (participates in β ladder)trans-76.9-42.7-176.4-61-168.4144.300112.2T280 K427 S429 Q467T280-E282 PolarHBondContact O-N 2.91Å; E282-K427 PolarHBondContact N-O 2.63Å; E282-S429 VanDerWaalsContact CD-CB 3.46Å; E282-S429 VanDerWaalsContact CD-OG 3.24Å; E282-S429 VanDerWaalsContact CG-OG 3.24Å; E282-S429 WeakPolarHBondContact CG-OG 3.43Å; E282-S429 WeakPolarHBondContact OE1-CB 3.49Å; E282-S429 PolarHBondContact OE1-OG 2.92Å; E282-Q467 WeakPolarHBondContact O-CG 3.46Å
283S97.3Very high97.2Very high34 Ų3472.4 Ų72.424%0.23836%0.362CS..EExtended strand (participates in β ladder)trans-152.8142-17868.70000111.3A426 K427S283-A426 CarbonylContact O-C 3.5Å; S283-A426 WeakPolarHBondContact O-CA 3.41Å; S283-K427 PolarHBondContact N-O 3.09Å; S283-K427 PolarHBondContact O-N 3.06Å
284V97.1Very high97.2Very high44 Ų4473.5 Ų73.527%0.26737%0.369SS..EExtended strand (participates in β ladder)trans-125.3104.4165.8-175.70000107V281 T424 A426 F465 Q467V281-V284 HydrophobicContact CG1-CG2 3.63Å; V284-T424 HydrophobicContact CG1-CG2 4.05Å; V284-A426 HydrophobicContact CG2-CB 4.15Å; V284-F465 HydrophobicContact CG2-CB 4.22Å; V284-Q467 HydrophobicContact CG2-CB 4.46Å
285A97Very high97.3Very high59 Ų5971.5 Ų71.549%0.48836%0.361SS..EExtended strand (participates in β ladder)trans-113.9130.2-175.200000110T424 T425A285-T424 CarbonylContact O-C 3.29Å; A285-T424 WeakPolarHBondContact O-CA 3.4Å; A285-T425 PolarHBondContact N-O 2.97Å; A285-T425 PolarHBondContact O-N 3.03Å
286S96.8Very high97.4Very high70 Ų7064.8 Ų64.849%0.4933%0.331SS..EExtended strand (participates in β ladder)trans-117.4133.6174.8-160.50000110.1R422 V423 T424S286-R422 VanDerWaalsContact OG-CD 3.29Å; S286-R422 WeakPolarHBondContact OG-CD 2.89Å; S286-R422 VanDerWaalsContact OG-CG 3.22Å; S286-R422 WeakPolarHBondContact OG-CG 3.33Å; S286-V423 WeakPolarHBondContact CA-O 3.19Å; S286-T424 PolarHBondContact OG-OG1 3.4Å
287K97.7Very high97.4Very high142 Ų14261.4 Ų61.462%0.61732%0.315SS*.EExtended strand (participates in β ladder)trans-140.2150.4176.964.4179.9-179.2179.30110.9V423K287-V423 PolarHBondContact N-O 3.23Å; K287-V423 PolarHBondContact O-N 3.34Å
288E97.9Very high97.5Very high89 Ų8954 Ų5442%0.41628%0.283SS..EExtended strand (participates in β ladder)trans-78.1137.5168.1-59.1-172.5141.800109.5K420 Y421 I443E288-K420 WeakPolarHBondContact OE1-CE 3.48Å; E288-K420 IonicContact OE1-NZ 2.78Å; E288-K420 PolarHBondContact OE1-NZ 3.49Å; E288-K420 WeakPolarHBondContact OE2-CE 3.47Å; E288-K420 IonicContact OE2-NZ 3.93Å; E288-K420 PolarHBondContact OE2-NZ 2.65Å; E288-Y421 CarbonylContact C-O 3.59Å; E288-Y421 WeakPolarHBondContact CA-O 3.16Å; E288-I443 HydrophobicContact CG-CD1 4.04Å
289A97.4Very high97.5Very high18 Ų1848.4 Ų48.415%0.14926%0.26CS..EExtended strand (participates in β ladder)trans-130.3160177.400000109.5Y421 V423A289-Y421 HydrophobicContact CB-CD1 4.19Å; A289-Y421 HydrophobicContact CB-CD2 4.21Å; A289-Y421 HydrophobicContact CB-CE1 3.72Å; A289-Y421 HydrophobicContact CB-CE2 3.74Å; A289-Y421 HydrophobicContact CB-CG 4.43Å; A289-Y421 VanDerWaalsContact CB-CZ 3.45Å; A289-Y421 PolarHBondContact N-O 3.04Å; A289-Y421 VanDerWaalsContact O-CD1 3.24Å; A289-Y421 WeakPolarHBondContact O-CD1 3.3Å; A289-Y421 PolarHBondContact O-N 3.43Å; A289-Y421 VanDerWaalsContact O-O 3.1Å; A289-V423 HydrophobicContact CB-CG2 3.85Å
290Y97.7Very high97.5Very high126 Ų12649.2 Ų49.249%0.49426%0.264SS..EExtended strand (participates in β ladder)trans-132.2143.7-173.9-62.1-95.8000110.9D418 L419 K420Y290-D418 HydrophobicContact CD1-CB 4.46Å; Y290-L419 CarbonylContact C-O 3.59Å; Y290-L419 WeakPolarHBondContact CA-O 3.42Å; Y290-K420 HydrophobicContact CD1-CB 3.98Å; Y290-K420 HydrophobicContact CD1-CG 4Å; Y290-K420 HydrophobicContact CE1-CB 3.86Å; Y290-K420 HydrophobicContact CE1-CD 3.75Å; Y290-K420 HydrophobicContact CE1-CG 3.52Å; Y290-K420 WeakPolarHBondContact OH-CE 3.37Å
291K97.2Very high97.4Very high90 Ų9049.4 Ų49.439%0.39126%0.261SS..EExtended strand (participates in β ladder)trans-108.3111.6163.8178.1-177.3-178.6-178.90106.9L419 F447 S454K291-L419 HydrophobicContact CB-CB 4.14Å; K291-L419 HydrophobicContact CB-CD2 3.88Å; K291-L419 PolarHBondContact N-O 3.01Å; K291-L419 PolarHBondContact O-N 2.97Å; K291-F447 HydrophobicContact CD-CZ 4.38Å; K291-F447 HydrophobicContact CG-CE1 4.29Å; K291-F447 HydrophobicContact CG-CZ 4.42Å; K291-S454 PolarHBondContact NZ-O 3.32Å
292S97.5Very high97.4Very high61 Ų6149.3 Ų49.343%0.42726%0.261SS..PPolyproline II helixtrans-62.1141.3-177.2-60.20000111.6
293K97.7Very high97.5Very high26 Ų2644.9 Ų44.911%0.11324%0.24CC..PPolyproline II helixtrans-58.7157.4168.369.8-169.3161.7-840111.8T372 T414 S416 D418 F447K293-T372 VanDerWaalsContact CE-O 3.27Å; K293-T372 WeakPolarHBondContact CE-O 3.35Å; K293-T414 WeakPolarHBondContact CD-O 3.2Å; K293-S416 WeakPolarHBondContact CD-O 3.29Å; K293-D418 WeakPolarHBondContact CB-OD1 3.29Å; K293-D418 VanDerWaalsContact CG-OD1 3.24Å; K293-D418 WeakPolarHBondContact CG-OD1 3.35Å; K293-D418 PolarHBondContact N-OD1 3.13Å; K293-D418 IonicContact NZ-OD1 2.8Å; K293-D418 PolarHBondContact NZ-OD1 3.02Å; K293-F447 HydrophobicContact CB-CB 4.14Å; K293-F447 HydrophobicContact CB-CD1 4Å; K293-F447 HydrophobicContact CB-CG 4.05Å
294P97.6Very high97.5Very high25 Ų2545.4 Ų45.416%0.16224%0.237CC..PPolyproline II helixtrans-66.2157.5-179.929.6-37.6000112.1T414 M451P294-T414 HydrophobicContact CG-CG2 4.07Å; P294-M451 HydrophobicContact CG-CE 4.22Å; P294-M451 HydrophobicContact CG-SD 3.76Å
295Q97.8Very high97.5Very high65 Ų6545.2 Ų45.230%0.30423%0.234SC..PPolyproline II helixtrans-71.2165.3162.8-73.6177.9-36.600110.3N338 R374 K375 H410 T414Q295-N338 PolarHBondContact OE1-ND2 2.94Å; Q295-R374 HydrophobicContact CG-CB 4.32Å; Q295-R374 HydrophobicContact CG-CG 4.16Å; Q295-K375 PolarHBondContact NE2-O 3.27Å; Q295-H410 PolarHBondContact O-NE2 2.92Å; Q295-T414 WeakPolarHBondContact O-CG2 3.23Å
296A98.5Very high97.5Very high5 Ų542.4 Ų42.44%0.04121%0.211CC..PPolyproline II helixtrans-60.2151.9177.400000111N298 N338 Y340 P384A296-N298 PolarHBondContact O-N 3.42Å; A296-N338 WeakPolarHBondContact CB-O 3.12Å; A296-N338 PolarHBondContact N-O 2.69Å; A296-N338 VanDerWaalsContact O-CB 3.23Å; A296-N338 WeakPolarHBondContact O-CB 3.41Å; A296-Y340 HydrophobicContact CB-CD1 4.49Å; A296-Y340 HydrophobicContact CB-CD2 3.98Å; A296-Y340 HydrophobicContact CB-CE1 4.04Å; A296-Y340 HydrophobicContact CB-CE2 3.54Å; A296-Y340 HydrophobicContact CB-CG 4.45Å; A296-P384 HydrophobicContact CB-CB 3.51Å; A296-P384 HydrophobicContact CB-CG 3.44Å; A296-P384 VanDerWaalsContact CB-CG 3.44Å
297L98.6Very high97.5Very high2 Ų239.1 Ų39.11%0.0119%0.188CC..PPolyproline II helixtrans-78.8125.3-170.2-170.863.3000111.2E301 L302 P384 I385 F406 I407L297-E301 HydrophobicContact CD1-CB 4.05Å; L297-E301 HydrophobicContact CD1-CG 4.05Å; L297-L302 HydrophobicContact CD1-CB 4.21Å; L297-L302 HydrophobicContact CD2-CB 4.39Å; L297-L302 HydrophobicContact CD2-CD1 4.3Å; L297-L302 HydrophobicContact CG-CB 4.3Å; L297-P384 CarbonylContact O-C 3.56Å; L297-P384 WeakPolarHBondContact O-CA 3.41Å; L297-P384 WeakPolarHBondContact O-CB 3.5Å; L297-I385 HydrophobicContact CB-CB 4.27Å; L297-I385 HydrophobicContact CD2-CB 4.1Å; L297-I385 HydrophobicContact CD2-CG2 4.33Å; L297-I385 HydrophobicContact CG-CB 4.2Å; L297-I385 PolarHBondContact O-N 2.96Å; L297-F406 HydrophobicContact CD1-CE1 3.91Å; L297-F406 HydrophobicContact CD1-CZ 3.98Å; L297-F406 HydrophobicContact CD2-CE1 3.83Å; L297-F406 HydrophobicContact CD2-CZ 4.5Å; L297-I407 HydrophobicContact CD2-CG1 3.91Å
298N97.3Very high97.5Very high9 Ų936.2 Ų36.25%0.04819%0.186CC..  trans-110.8177.7168.474.9-6.2000110.9A296 V300 E301 L302 T335 E336 N338A296-N298 PolarHBondContact O-N 3.42Å; N298-V300 PolarHBondContact O-N 2.9Å; N298-V300 PolarHBondContact OD1-N 2.81Å; N298-E301 PolarHBondContact O-N 3.41Å; N298-E301 VanDerWaalsContact OD1-CB 3.29Å; N298-E301 WeakPolarHBondContact OD1-CB 3.21Å; N298-E301 PolarHBondContact OD1-N 2.89Å; N298-L302 WeakPolarHBondContact O-CB 3.13Å; N298-L302 PolarHBondContact O-N 3.08Å; N298-T335 WeakPolarHBondContact CB-O 3.49Å; N298-E336 PolarHBondContact ND2-O 2.98Å; N298-N338 HydrophobicContact CB-CB 4.17Å
299T96.9Very high97.3Very high5 Ų534.5 Ų34.53%0.03119%0.192CC..Hα-helixtrans-62-42.6-177.4-57.10000113L302 M303 M318 P333 R334 T335 A507T299-L302 PolarHBondContact O-N 3.49Å; T299-M303 HydrophobicContact CG2-CE 4.01Å; T299-M303 HydrophobicContact CG2-SD 4.43Å; T299-M303 WeakPolarHBondContact O-CG 3.47Å; T299-M303 PolarHBondContact O-N 2.85Å; T299-M318 HydrophobicContact CG2-CE 4.04Å; T299-M318 HydrophobicContact CG2-SD 3.64Å; T299-P333 PolarHBondContact OG1-O 3.02Å; T299-R334 VanDerWaalsContact OG1-CA 3.26Å; T299-R334 WeakPolarHBondContact OG1-CA 3.35Å; T299-T335 PolarHBondContact N-O 3.02Å; T299-T335 PolarHBondContact OG1-N 2.96Å; T299-T335 PolarHBondContact OG1-O 3.35Å; T299-A507 HydrophobicContact CG2-CB 4.15Å
300V96Very high97.3Very high17 Ų1735.3 Ų35.310%0.10319%0.194CC..Hα-helixtrans-63.3-48.4-178.3169.50000110.5N298 L302 M303 R304 I495 E499 I509N298-V300 PolarHBondContact O-N 2.9Å; N298-V300 PolarHBondContact OD1-N 2.81Å; V300-L302 PolarHBondContact O-N 3.35Å; V300-M303 PolarHBondContact O-N 3.36Å; V300-R304 HydrophobicContact CG1-CG 4.46Å; V300-R304 WeakPolarHBondContact O-CG 3.47Å; V300-R304 PolarHBondContact O-N 3.34Å; V300-I495 HydrophobicContact CB-CG2 4.45Å; V300-I495 HydrophobicContact CG1-CG2 3.55Å; V300-E499 WeakPolarHBondContact CG1-OE2 3.19Å; V300-I509 HydrophobicContact CG2-CD1 4.3Å
301E96.8Very high97.2Very high55 Ų5531.2 Ų31.226%0.25719%0.19SC..Hα-helixtrans-66.3-37.7179.5-170.363-17200112.4L297 N298 M303 R304 I305L297-E301 HydrophobicContact CD1-CB 4.05Å; L297-E301 HydrophobicContact CD1-CG 4.05Å; N298-E301 PolarHBondContact O-N 3.41Å; N298-E301 VanDerWaalsContact OD1-CB 3.29Å; N298-E301 WeakPolarHBondContact OD1-CB 3.21Å; N298-E301 PolarHBondContact OD1-N 2.89Å; E301-M303 PolarHBondContact O-N 3.24Å; E301-R304 PolarHBondContact O-N 3.27Å; E301-R304 IonicContact OE2-CZ 3.64Å; E301-R304 IonicContact OE2-NE 3.02Å; E301-R304 PolarHBondContact OE2-NE 2.69Å; E301-R304 IonicContact OE2-NH2 3.14Å; E301-R304 PolarHBondContact OE2-NH2 3.06Å; E301-I305 HydrophobicContact CG-CG1 4.39Å; E301-I305 WeakPolarHBondContact O-CG1 3.46Å; E301-I305 PolarHBondContact O-N 3.39Å
302L98.2Very high97.3Very high0 Ų027 Ų270%017%0.172CC..Hα-helixtrans-56.6-50.8172.6173.662.9000111L297 N298 T299 V300 R304 I305 C306 A321 I385 V403 F406 I407L297-L302 HydrophobicContact CD1-CB 4.21Å; L297-L302 HydrophobicContact CD2-CB 4.39Å; L297-L302 HydrophobicContact CD2-CD1 4.3Å; L297-L302 HydrophobicContact CG-CB 4.3Å; N298-L302 WeakPolarHBondContact O-CB 3.13Å; N298-L302 PolarHBondContact O-N 3.08Å; T299-L302 PolarHBondContact O-N 3.49Å; V300-L302 PolarHBondContact O-N 3.35Å; L302-R304 PolarHBondContact O-N 3.35Å; L302-I305 PolarHBondContact O-N 2.6Å; L302-C306 VanDerWaalsContact O-CB 3.3Å; L302-C306 WeakPolarHBondContact O-CB 3.48Å; L302-C306 PolarHBondContact O-N 2.96Å; L302-C306 PolarHBondContact O-SG 3.33Å; L302-A321 HydrophobicContact CD2-CB 3.94Å; L302-I385 HydrophobicContact CB-CD1 4.2Å; L302-I385 HydrophobicContact CD2-CD1 3.73Å; L302-V403 HydrophobicContact CD1-CG1 4.3Å; L302-F406 HydrophobicContact CD1-CD1 3.88Å; L302-F406 HydrophobicContact CD1-CE1 3.79Å; L302-I407 HydrophobicContact CD1-CD1 4.36Å; L302-I407 HydrophobicContact CD1-CG1 4.18Å
303M97.8Very high97.2Very high1 Ų124.5 Ų24.51%0.00516%0.155CC..Hα-helixtrans-63.8-41.8179.8-68.5-174.7-61.800112.3T299 V300 E301 C306 S307 P314 M318 I495 I509 P510T299-M303 HydrophobicContact CG2-CE 4.01Å; T299-M303 HydrophobicContact CG2-SD 4.43Å; T299-M303 WeakPolarHBondContact O-CG 3.47Å; T299-M303 PolarHBondContact O-N 2.85Å; V300-M303 PolarHBondContact O-N 3.36Å; E301-M303 PolarHBondContact O-N 3.24Å; M303-C306 PolarHBondContact O-N 3.3Å; M303-S307 PolarHBondContact O-N 2.97Å; M303-P314 HydrophobicContact CB-CB 4.27Å; M303-P314 HydrophobicContact CG-CB 4.34Å; M303-P314 HydrophobicContact SD-CB 4.05Å; M303-M318 HydrophobicContact CG-CG 4.09Å; M303-M318 HydrophobicContact CG-SD 4.15Å; M303-M318 HydrophobicContact SD-CG 3.85Å; M303-M318 HydrophobicContact SD-SD 4.33Å; M303-I495 HydrophobicContact CB-CD1 3.7Å; M303-I495 HydrophobicContact CE-CG2 4.44Å; M303-I509 HydrophobicContact CE-CB 4.28Å; M303-I509 HydrophobicContact CE-CG2 4.14Å; M303-P510 HydrophobicContact SD-CB 3.81Å; M303-P510 HydrophobicContact SD-CG 3.73Å
304R97.5Very high97.2Very high44 Ų4423.4 Ų23.417%0.16615%0.151CC..Hα-helixtrans-57.8-51.2177.8-77-162-68-122.2-6.4111.5V300 E301 L302 S307 S308 S492 I495 T496 E499V300-R304 HydrophobicContact CG1-CG 4.46Å; V300-R304 WeakPolarHBondContact O-CG 3.47Å; V300-R304 PolarHBondContact O-N 3.34Å; E301-R304 PolarHBondContact O-N 3.27Å; E301-R304 IonicContact OE2-CZ 3.64Å; E301-R304 IonicContact OE2-NE 3.02Å; E301-R304 PolarHBondContact OE2-NE 2.69Å; E301-R304 IonicContact OE2-NH2 3.14Å; E301-R304 PolarHBondContact OE2-NH2 3.06Å; L302-R304 PolarHBondContact O-N 3.35Å; R304-S307 PolarHBondContact O-N 3.32Å; R304-S308 PolarHBondContact O-N 3.48Å; R304-S308 PolarHBondContact O-OG 3.12Å; R304-S492 WeakPolarHBondContact CB-OG 3.38Å; R304-S492 WeakPolarHBondContact CG-OG 3.37Å; R304-I495 HydrophobicContact CG-CB 4.14Å; R304-I495 HydrophobicContact CG-CD1 4.3Å; R304-I495 HydrophobicContact CG-CG2 3.88Å; R304-T496 VanDerWaalsContact CD-OG1 3.23Å; R304-T496 WeakPolarHBondContact CD-OG1 3.18Å; R304-T496 PolarHBondContact NH1-OG1 3.31Å; R304-E499 IonicContact CZ-OE2 2.83Å; R304-E499 IonicContact NH1-OE2 2.67Å; R304-E499 PolarHBondContact NH1-OE2 3.36Å; R304-E499 IonicContact NH2-OE2 3.27Å
305I96.7Very high97.2Very high40 Ų4025.5 Ų25.521%0.20516%0.158CC..Hα-helixtrans-72.5-36.6-177.9-60.7-63.3000111.9E301 L302 S307 G309 L310 F406E301-I305 HydrophobicContact CG-CG1 4.39Å; E301-I305 WeakPolarHBondContact O-CG1 3.46Å; E301-I305 PolarHBondContact O-N 3.39Å; L302-I305 PolarHBondContact O-N 2.6Å; I305-S307 PolarHBondContact O-N 3.38Å; I305-G309 VanDerWaalsContact O-CA 3.3Å; I305-G309 WeakPolarHBondContact O-CA 3.44Å; I305-G309 PolarHBondContact O-N 2.92Å; I305-L310 PolarHBondContact O-N 3.02Å; I305-F406 HydrophobicContact CB-CE1 4.28Å; I305-F406 HydrophobicContact CB-CE2 4.03Å; I305-F406 HydrophobicContact CB-CZ 3.74Å; I305-F406 HydrophobicContact CG1-CE2 4.31Å; I305-F406 HydrophobicContact CG1-CZ 3.98Å; I305-F406 HydrophobicContact CG2-CD2 3.83Å; I305-F406 HydrophobicContact CG2-CE1 4.28Å; I305-F406 HydrophobicContact CG2-CE2 3.38Å; I305-F406 HydrophobicContact CG2-CG 4.47Å; I305-F406 HydrophobicContact CG2-CZ 3.63Å
306C97.9Very high97.1Very high0 Ų026.4 Ų26.40%016%0.162CC..Hα-helixtrans-57.8-41.5172.3-77.20000111.4L302 M303 L310 G311 I312 A317L302-C306 VanDerWaalsContact O-CB 3.3Å; L302-C306 WeakPolarHBondContact O-CB 3.48Å; L302-C306 PolarHBondContact O-N 2.96Å; L302-C306 PolarHBondContact O-SG 3.33Å; M303-C306 PolarHBondContact O-N 3.3Å; C306-L310 CarbonylContact O-C 3.58Å; C306-L310 WeakPolarHBondContact O-CA 3.33Å; C306-L310 VanDerWaalsContact O-CB 3.3Å; C306-L310 WeakPolarHBondContact O-CB 3.29Å; C306-L310 PolarHBondContact O-N 3.46Å; C306-L310 VanDerWaalsContact O-N 3.15Å; C306-G311 PolarHBondContact O-N 2.95Å; C306-I312 CarbonylContact C-O 3.46Å; C306-I312 VanDerWaalsContact C-O 3.26Å; C306-I312 HydrophobicContact CB-CB 4.34Å; C306-I312 PolarHBondContact O-N 3.05Å; C306-A317 HydrophobicContact CB-CB 3.63Å
307S97.6Very high97.1Very high2 Ų226.1 Ų26.11%0.01416%0.16CC..Hα-helixtrans-71-59.7177.7-174.60000111.8M303 R304 I305 G311 I312 E491 R528M303-S307 PolarHBondContact O-N 2.97Å; R304-S307 PolarHBondContact O-N 3.32Å; I305-S307 PolarHBondContact O-N 3.38Å; S307-G311 WeakPolarHBondContact O-CA 3.31Å; S307-G311 PolarHBondContact O-N 2.55Å; S307-G311 VanDerWaalsContact O-N 3.15Å; S307-I312 WeakPolarHBondContact CA-O 3.47Å; S307-I312 PolarHBondContact N-O 3.42Å; S307-E491 WeakPolarHBondContact CB-OE2 3.33Å; S307-E491 WeakPolarHBondContact OG-CB 3.41Å; S307-E491 PolarHBondContact OG-OE2 2.84Å; S307-R528 VanDerWaalsContact O-CD 3.27Å; S307-R528 WeakPolarHBondContact O-CD 3.46Å; S307-R528 WeakPolarHBondContact OG-CD 3.33Å; S307-R528 PolarHBondContact OG-NE 3.31Å
308S96Very high97.1Very high80 Ų8026.2 Ų26.256%0.55916%0.16SC*.Hα-helixtrans-70.5-38.1-172.562.90000113.6R304R304-S308 PolarHBondContact O-N 3.48Å; R304-S308 PolarHBondContact O-OG 3.12Å
309G94.6Very high97Very high54 Ų5430.8 Ų30.856%0.55718%0.181SC*.THydrogen-bonded Turntrans-96.4-38.1-174.700000114.1I305I305-G309 VanDerWaalsContact O-CA 3.3Å; I305-G309 WeakPolarHBondContact O-CA 3.44Å; I305-G309 PolarHBondContact O-N 2.92Å
310L96.6Very high97.1Very high34 Ų3431 Ų3118%0.17818%0.182CC..THydrogen-bonded Turntrans-102.3-9.1-175.9-53.8-178.5000113.9I305 C306 I312 R402 V403 F406I305-L310 PolarHBondContact O-N 3.02Å; C306-L310 CarbonylContact O-C 3.58Å; C306-L310 WeakPolarHBondContact O-CA 3.33Å; C306-L310 VanDerWaalsContact O-CB 3.3Å; C306-L310 WeakPolarHBondContact O-CB 3.29Å; C306-L310 PolarHBondContact O-N 3.46Å; C306-L310 VanDerWaalsContact O-N 3.15Å; L310-I312 HydrophobicContact CB-CD1 3.86Å; L310-I312 HydrophobicContact CB-CG1 4.03Å; L310-I312 HydrophobicContact CD1-CD1 4.26Å; L310-I312 PolarHBondContact O-N 3.45Å; L310-R402 VanDerWaalsContact CA-NH2 3.34Å; L310-R402 HydrophobicContact CD1-CB 4.32Å; L310-R402 VanDerWaalsContact O-CZ 3.26Å; L310-R402 PolarHBondContact O-NH1 2.66Å; L310-R402 PolarHBondContact O-NH2 2.76Å; L310-V403 HydrophobicContact CD1-CG2 4.22Å; L310-F406 HydrophobicContact CD1-CB 4.29Å
311G96.9Very high97.2Very high41 Ų4130.1 Ų30.142%0.42318%0.177SC..  trans70.216.5-176.900000113.4C306 S307 R528C306-G311 PolarHBondContact O-N 2.95Å; S307-G311 WeakPolarHBondContact O-CA 3.31Å; S307-G311 PolarHBondContact O-N 2.55Å; S307-G311 VanDerWaalsContact O-N 3.15Å; G311-R528 PolarHBondContact O-NH1 3Å
312I97.7Very high97.2Very high2 Ų229.2 Ų29.21%0.0117%0.173CC..  trans-101.9125-176.3-60.9170.7000108.9C306 S307 L310 Q316 A317 I320 D399 V403C306-I312 CarbonylContact C-O 3.46Å; C306-I312 VanDerWaalsContact C-O 3.26Å; C306-I312 HydrophobicContact CB-CB 4.34Å; C306-I312 PolarHBondContact O-N 3.05Å; S307-I312 WeakPolarHBondContact CA-O 3.47Å; S307-I312 PolarHBondContact N-O 3.42Å; L310-I312 HydrophobicContact CB-CD1 3.86Å; L310-I312 HydrophobicContact CB-CG1 4.03Å; L310-I312 HydrophobicContact CD1-CD1 4.26Å; L310-I312 PolarHBondContact O-N 3.45Å; I312-Q316 HydrophobicContact CG2-CB 3.97Å; I312-Q316 HydrophobicContact CG2-CG 3.98Å; I312-A317 HydrophobicContact CG2-CB 4.08Å; I312-I320 HydrophobicContact CG2-CD1 4.4Å; I312-D399 HydrophobicContact CD1-CB 3.87Å; I312-V403 HydrophobicContact CD1-CG2 3.75Å
313G97Very high97Very high7 Ų734.1 Ų34.17%0.07219%0.191CC..  trans-65.9152.4-178.100000113F315 Q316 A317 R528G313-F315 VanDerWaalsContact C-N 3.29Å; G313-F315 PolarHBondContact O-N 2.79Å; G313-Q316 PolarHBondContact O-N 3.01Å; G313-A317 WeakPolarHBondContact O-CB 3.34Å; G313-A317 PolarHBondContact O-N 2.87Å; G313-R528 VanDerWaalsContact CA-CZ 3.5Å
314P97.2Very high97Very high4 Ų434.1 Ų34.13%0.02619%0.191CC..Hα-helixtrans-55.3-41.7-173.4-27.534.6000113.4M303 A317 M318 E491 I495 P510 I513M303-P314 HydrophobicContact CB-CB 4.27Å; M303-P314 HydrophobicContact CG-CB 4.34Å; M303-P314 HydrophobicContact SD-CB 4.05Å; P314-A317 PolarHBondContact O-N 3.03Å; P314-M318 PolarHBondContact O-N 3.33Å; P314-E491 WeakPolarHBondContact CD-OE1 3.33Å; P314-E491 VanDerWaalsContact CD-OE2 3.27Å; P314-E491 WeakPolarHBondContact CD-OE2 3.47Å; P314-E491 HydrophobicContact CG-CB 4.19Å; P314-I495 HydrophobicContact CB-CD1 4.2Å; P314-I495 HydrophobicContact CG-CD1 3.73Å; P314-I495 HydrophobicContact CG-CG1 4.45Å; P314-P510 HydrophobicContact CB-CB 3.98Å; P314-I513 HydrophobicContact CG-CD1 4.43Å
315F96.7Very high97Very high69 Ų6932 Ų3230%0.30318%0.183SC..Hα-helixtrans-64.5-45.7177.7-173.7-95.3000112.5G313 A317 M318 Q319 P510 N514G313-F315 VanDerWaalsContact C-N 3.29Å; G313-F315 PolarHBondContact O-N 2.79Å; F315-A317 VanDerWaalsContact C-N 3.35Å; F315-M318 PolarHBondContact O-N 3.32Å; F315-Q319 HydrophobicContact CD1-CG 4.44Å; F315-Q319 VanDerWaalsContact CE1-CD 3.46Å; F315-Q319 HydrophobicContact CE1-CG 4.18Å; F315-Q319 WeakPolarHBondContact O-CG 3.21Å; F315-Q319 PolarHBondContact O-N 2.77Å; F315-Q319 VanDerWaalsContact O-N 3.08Å; F315-P510 HydrophobicContact CB-CB 4.47Å; F315-N514 HydrophobicContact CB-CB 3.88Å; F315-N514 HydrophobicContact CD2-CB 4.06Å; F315-N514 HydrophobicContact CG-CB 4.02Å
316Q97.6Very high96.7Very high83 Ų8330.7 Ų30.739%0.38818%0.177SC..Hα-helixtrans-66-39.3176.6-173.4-174.90.400111.3I312 G313 M318 Q319 I320I312-Q316 HydrophobicContact CG2-CB 3.97Å; I312-Q316 HydrophobicContact CG2-CG 3.98Å; G313-Q316 PolarHBondContact O-N 3.01Å; Q316-M318 VanDerWaalsContact C-N 3.34Å; Q316-M318 PolarHBondContact O-N 2.8Å; Q316-Q319 PolarHBondContact O-N 3.11Å; Q316-I320 HydrophobicContact CG-CD1 4.1Å; Q316-I320 WeakPolarHBondContact O-CG1 3.39Å; Q316-I320 PolarHBondContact O-N 3.42Å
317A98.1Very high96.5Very high0 Ų035.1 Ų35.10%020%0.197CC..Hα-helixtrans-58.5-45.9176.400000111.2C306 I312 G313 P314 F315 I320 A321C306-A317 HydrophobicContact CB-CB 3.63Å; I312-A317 HydrophobicContact CG2-CB 4.08Å; G313-A317 WeakPolarHBondContact O-CB 3.34Å; G313-A317 PolarHBondContact O-N 2.87Å; P314-A317 PolarHBondContact O-N 3.03Å; F315-A317 VanDerWaalsContact C-N 3.35Å; A317-I320 PolarHBondContact O-N 3.37Å; A317-A321 WeakPolarHBondContact O-CB 3.16Å; A317-A321 PolarHBondContact O-N 3.3Å
318M97.5Very high96.3Very high4 Ų435.2 Ų35.22%0.0220%0.199CC..Hα-helixtrans-66.1-38.6176.4-74.4-51.4-6000113.4T299 M303 P314 F315 Q316 I320 A321 E322 P333 R334 P510T299-M318 HydrophobicContact CG2-CE 4.04Å; T299-M318 HydrophobicContact CG2-SD 3.64Å; M303-M318 HydrophobicContact CG-CG 4.09Å; M303-M318 HydrophobicContact CG-SD 4.15Å; M303-M318 HydrophobicContact SD-CG 3.85Å; M303-M318 HydrophobicContact SD-SD 4.33Å; P314-M318 PolarHBondContact O-N 3.33Å; F315-M318 PolarHBondContact O-N 3.32Å; Q316-M318 VanDerWaalsContact C-N 3.34Å; Q316-M318 PolarHBondContact O-N 2.8Å; M318-I320 VanDerWaalsContact C-N 3.32Å; M318-I320 PolarHBondContact O-N 3.48Å; M318-A321 PolarHBondContact O-N 3.36Å; M318-E322 WeakPolarHBondContact O-CB 3.42Å; M318-E322 WeakPolarHBondContact O-CG 3.07Å; M318-E322 PolarHBondContact O-N 3.2Å; M318-P333 HydrophobicContact CE-CB 4.23Å; M318-P333 HydrophobicContact CE-CG 4.26Å; M318-R334 HydrophobicContact CE-CG 3.55Å; M318-P510 HydrophobicContact CG-CB 4.32Å; M318-P510 HydrophobicContact CG-CG 3.96Å
319Q96.6Very high96.4Very high105 Ų10532.5 Ų32.549%0.49118%0.177SC..Hα-helixtrans-61.8-40.6174.1-71.8-175.8-44.900112.4F315 Q316 R323F315-Q319 HydrophobicContact CD1-CG 4.44Å; F315-Q319 VanDerWaalsContact CE1-CD 3.46Å; F315-Q319 HydrophobicContact CE1-CG 4.18Å; F315-Q319 WeakPolarHBondContact O-CG 3.21Å; F315-Q319 PolarHBondContact O-N 2.77Å; F315-Q319 VanDerWaalsContact O-N 3.08Å; Q316-Q319 PolarHBondContact O-N 3.11Å; Q319-R323 WeakPolarHBondContact O-CB 3.39Å; Q319-R323 PolarHBondContact O-N 2.95Å; Q319-R323 VanDerWaalsContact O-N 3.13Å
320I98.2Very high96.5Very high8 Ų830 Ų304%0.04115%0.15CC..Hα-helixtrans-65.8-47176-70.1168.7000110.3I312 Q316 A317 M318 E322 R323 L324 D399 T400 V403I312-I320 HydrophobicContact CG2-CD1 4.4Å; Q316-I320 HydrophobicContact CG-CD1 4.1Å; Q316-I320 WeakPolarHBondContact O-CG1 3.39Å; Q316-I320 PolarHBondContact O-N 3.42Å; A317-I320 PolarHBondContact O-N 3.37Å; M318-I320 VanDerWaalsContact C-N 3.32Å; M318-I320 PolarHBondContact O-N 3.48Å; I320-E322 PolarHBondContact O-N 2.89Å; I320-R323 WeakPolarHBondContact O-CB 3.23Å; I320-R323 PolarHBondContact O-N 3.49Å; I320-L324 HydrophobicContact CG2-CD1 4.1Å; I320-L324 WeakPolarHBondContact O-CG 3.49Å; I320-L324 PolarHBondContact O-N 3.24Å; I320-D399 HydrophobicContact CD1-CB 3.98Å; I320-T400 HydrophobicContact CG2-CG2 4.17Å; I320-V403 HydrophobicContact CD1-CG2 4.31Å; I320-V403 HydrophobicContact CG2-CB 3.8Å; I320-V403 HydrophobicContact CG2-CG1 4.03Å; I320-V403 HydrophobicContact CG2-CG2 3.95Å
321A98.2Very high96.6Very high0 Ų028.5 Ų28.50%014%0.143CC..Hα-helixtrans-61.9-44179.900000111.7L302 A317 M318 R323 L324 Y325 I330 P333L302-A321 HydrophobicContact CD2-CB 3.94Å; A317-A321 WeakPolarHBondContact O-CB 3.16Å; A317-A321 PolarHBondContact O-N 3.3Å; M318-A321 PolarHBondContact O-N 3.36Å; A321-R323 VanDerWaalsContact C-N 3.29Å; A321-R323 PolarHBondContact O-N 3.13Å; A321-L324 WeakPolarHBondContact O-CB 3.24Å; A321-L324 PolarHBondContact O-N 3.34Å; A321-Y325 PolarHBondContact O-N 3.26Å; A321-I330 HydrophobicContact CB-CD1 4.22Å; A321-I330 WeakPolarHBondContact O-CD1 3.27Å; A321-P333 HydrophobicContact CB-CB 3.58Å; A321-P333 HydrophobicContact CB-CG 4Å
322E95.7Very high96.6Very high36 Ų3626.8 Ų26.817%0.16812%0.124CC..Hα-helixtrans-59.8-39.6174.5-79.3-179.6-154.800112.4K10 M318 I320 Y325 T326 P333 R334K10-E322 IonicContact NZ-OE2 3.5Å; K10-E322 PolarHBondContact NZ-OE2 2.74Å; M318-E322 WeakPolarHBondContact O-CB 3.42Å; M318-E322 WeakPolarHBondContact O-CG 3.07Å; M318-E322 PolarHBondContact O-N 3.2Å; I320-E322 PolarHBondContact O-N 2.89Å; E322-Y325 PolarHBondContact O-N 2.86Å; E322-T326 WeakPolarHBondContact O-CB 3.06Å; E322-T326 PolarHBondContact O-N 3.39Å; E322-T326 PolarHBondContact O-OG1 3.18Å; E322-P333 HydrophobicContact CG-CG 4.21Å; E322-R334 IonicContact OE1-CZ 2.77Å; E322-R334 VanDerWaalsContact OE1-CZ 3.27Å; E322-R334 IonicContact OE1-NE 3.83Å; E322-R334 PolarHBondContact OE1-NE 3.12Å; E322-R334 IonicContact OE1-NH2 2.72Å; E322-R334 PolarHBondContact OE1-NH2 3.49Å
323R95.2Very high96.6Very high103 Ų10326.7 Ų26.739%0.38912%0.123SC..Hα-helixtrans-64.8-44.7176-179.4168.362.3-171.24.1111.5Q319 I320 A321 Y325 T326 Q327 D397 T400Q319-R323 WeakPolarHBondContact O-CB 3.39Å; Q319-R323 PolarHBondContact O-N 2.95Å; Q319-R323 VanDerWaalsContact O-N 3.13Å; I320-R323 WeakPolarHBondContact O-CB 3.23Å; I320-R323 PolarHBondContact O-N 3.49Å; A321-R323 VanDerWaalsContact C-N 3.29Å; A321-R323 PolarHBondContact O-N 3.13Å; R323-Y325 VanDerWaalsContact C-N 3.32Å; R323-Y325 PolarHBondContact O-N 3.1Å; R323-T326 PolarHBondContact O-N 3.46Å; R323-Q327 WeakPolarHBondContact O-CB 3.43Å; R323-Q327 WeakPolarHBondContact O-CG 3.33Å; R323-Q327 PolarHBondContact O-N 3.05Å; R323-Q327 VanDerWaalsContact O-N 3.12Å; R323-D397 IonicContact CZ-OD2 3.31Å; R323-D397 IonicContact NH1-OD2 2.66Å; R323-D397 IonicContact NH2-OD2 3.12Å; R323-D397 PolarHBondContact NH2-OD2 2.85Å; R323-T400 PolarHBondContact NH2-OG1 2.88Å
324L97.6Very high96.6Very high0 Ų029 Ų290%013%0.13CC..Hα-helixtrans-59.3-44175.5-72.7169.1000111.4I320 A321 Q327 G328 Y329 I330 F396 T400 V403 Y404 I407I320-L324 HydrophobicContact CG2-CD1 4.1Å; I320-L324 WeakPolarHBondContact O-CG 3.49Å; I320-L324 PolarHBondContact O-N 3.24Å; A321-L324 WeakPolarHBondContact O-CB 3.24Å; A321-L324 PolarHBondContact O-N 3.34Å; L324-Q327 PolarHBondContact O-N 3.44Å; L324-G328 PolarHBondContact O-N 3.03Å; L324-Y329 HydrophobicContact CD2-CD2 4.18Å; L324-Y329 HydrophobicContact CD2-CG 4.35Å; L324-Y329 PolarHBondContact O-N 3.34Å; L324-I330 HydrophobicContact CB-CD1 3.85Å; L324-I330 HydrophobicContact CB-CG1 3.77Å; L324-I330 HydrophobicContact CB-CG2 4.38Å; L324-I330 HydrophobicContact CD1-CD1 4.46Å; L324-F396 HydrophobicContact CD2-CD1 4.25Å; L324-F396 HydrophobicContact CD2-CE1 3.64Å; L324-F396 HydrophobicContact CD2-CZ 4.11Å; L324-T400 HydrophobicContact CD2-CG2 3.78Å; L324-T400 HydrophobicContact CG-CG2 4.15Å; L324-V403 HydrophobicContact CD1-CG1 4.18Å; L324-Y404 HydrophobicContact CD2-CD2 4.22Å; L324-Y404 HydrophobicContact CD2-CG 4.43Å; L324-I407 HydrophobicContact CD1-CD1 4.48Å
325Y96.7Very high96.4Very high1 Ų129 Ų290%0.00413%0.13CC..Hα-helixtrans-61.7-48175.9156.2-102.7000112.1D117 F151 I154 A321 E322 R323 Q327 G328 Y332D117-Y325 VanDerWaalsContact OD1-CE1 3.26Å; D117-Y325 WeakPolarHBondContact OD1-CE1 3.33Å; D117-Y325 PolarHBondContact OD1-OH 3.12Å; F151-Y325 WeakPolarHBondContact CE2-OH 3.22Å; I154-Y325 HydrophobicContact CD1-CE2 3.88Å; I154-Y325 HydrophobicContact CG1-CD2 4.36Å; I154-Y325 HydrophobicContact CG1-CE2 3.9Å; A321-Y325 PolarHBondContact O-N 3.26Å; E322-Y325 PolarHBondContact O-N 2.86Å; R323-Y325 VanDerWaalsContact C-N 3.32Å; R323-Y325 PolarHBondContact O-N 3.1Å; Y325-Q327 PolarHBondContact O-N 3.3Å; Y325-Q327 VanDerWaalsContact O-N 3.15Å; Y325-G328 WeakPolarHBondContact O-CA 3.24Å; Y325-G328 PolarHBondContact O-N 3.34Å; Y325-Y332 AromaticContact CD1-CD2 3.91Å; Y325-Y332 HydrophobicContact CD1-CD2 3.91Å; Y325-Y332 HydrophobicContact CD1-CE2 4.3Å; Y325-Y332 AromaticContact CD2-CD2 3.99Å; Y325-Y332 HydrophobicContact CD2-CD2 3.99Å; Y325-Y332 AromaticContact CE1-CD2 3.58Å; Y325-Y332 HydrophobicContact CE1-CD2 3.58Å; Y325-Y332 AromaticContact CE1-CE2 3.85Å; Y325-Y332 HydrophobicContact CE1-CE2 3.85Å; Y325-Y332 AromaticContact CE2-CD2 3.66Å; Y325-Y332 HydrophobicContact CE2-CD2 3.66Å; Y325-Y332 HydrophobicContact CE2-CG 4.32Å; Y325-Y332 HydrophobicContact CG-CD2 4.09Å; Y325-Y332 AromaticContact CZ-CD2 3.43Å; Y325-Y332 VanDerWaalsContact CZ-CD2 3.43Å
326T91.4Very high96.2Very high11 Ų1129.5 Ų29.57%0.06713%0.133CC..Hα-helixtrans-63.9-25.3-178.2-49.80000112.1S12 L13 E322 R323S12-T326 WeakPolarHBondContact OG-CG2 3.39Å; L13-T326 HydrophobicContact CB-CG2 4.25Å; E322-T326 WeakPolarHBondContact O-CB 3.06Å; E322-T326 PolarHBondContact O-N 3.39Å; E322-T326 PolarHBondContact O-OG1 3.18Å; R323-T326 PolarHBondContact O-N 3.46Å
327Q92.5Very high96.2Very high93 Ų9325.6 Ų25.644%0.43512%0.115SC..THydrogen-bonded Turntrans-89.2-0.7174.4-68.5175.8-2000113.6R323 L324 Y325 Y329R323-Q327 WeakPolarHBondContact O-CB 3.43Å; R323-Q327 WeakPolarHBondContact O-CG 3.33Å; R323-Q327 PolarHBondContact O-N 3.05Å; R323-Q327 VanDerWaalsContact O-N 3.12Å; L324-Q327 PolarHBondContact O-N 3.44Å; Y325-Q327 PolarHBondContact O-N 3.3Å; Y325-Q327 VanDerWaalsContact O-N 3.15Å; Q327-Y329 HydrophobicContact CB-CD2 3.61Å; Q327-Y329 HydrophobicContact CB-CE2 3.82Å
328G94.4Very high96.1Very high5 Ų526.9 Ų26.95%0.05212%0.122CC..THydrogen-bonded Turntrans78.911.317800000115.1L324 Y325 K389L324-G328 PolarHBondContact O-N 3.03Å; Y325-G328 WeakPolarHBondContact O-CA 3.24Å; Y325-G328 PolarHBondContact O-N 3.34Å; G328-K389 VanDerWaalsContact O-CB 3.26Å; G328-K389 WeakPolarHBondContact O-CB 3.27Å
329Y97Very high96.1Very high23 Ų2329.1 Ų29.19%0.0913%0.132CC..SBendtrans-75.4-30-180-72.9-69.7000113.3L324 Q327 P387 M388 K389 D395 F396 Y404L324-Y329 HydrophobicContact CD2-CD2 4.18Å; L324-Y329 HydrophobicContact CD2-CG 4.35Å; L324-Y329 PolarHBondContact O-N 3.34Å; Q327-Y329 HydrophobicContact CB-CD2 3.61Å; Q327-Y329 HydrophobicContact CB-CE2 3.82Å; Y329-P387 CarbonylContact O-C 3.15Å; Y329-P387 WeakPolarHBondContact O-CA 3.41Å; Y329-M388 PolarHBondContact O-N 3.33Å; Y329-K389 HydrophobicContact CD1-CB 4.23Å; Y329-K389 HydrophobicContact CD1-CD 4.28Å; Y329-K389 HydrophobicContact CD1-CG 4.27Å; Y329-K389 WeakPolarHBondContact CD1-O 3.21Å; Y329-K389 HydrophobicContact CE1-CD 4.11Å; Y329-K389 HydrophobicContact CE1-CG 4.29Å; Y329-K389 PolarHBondContact O-N 3.48Å; Y329-D395 PolarHBondContact OH-OD2 3.47Å; Y329-F396 AromaticContact CD1-CZ 3.92Å; Y329-F396 HydrophobicContact CD1-CZ 3.92Å; Y329-F396 AromaticContact CD2-CE1 3.76Å; Y329-F396 HydrophobicContact CD2-CE1 3.76Å; Y329-F396 AromaticContact CD2-CZ 3.87Å; Y329-F396 HydrophobicContact CD2-CZ 3.87Å; Y329-F396 HydrophobicContact CE1-CE1 4.45Å; Y329-F396 AromaticContact CE1-CZ 3.74Å; Y329-F396 HydrophobicContact CE1-CZ 3.74Å; Y329-F396 AromaticContact CE2-CE1 3.54Å; Y329-F396 HydrophobicContact CE2-CE1 3.54Å; Y329-F396 AromaticContact CE2-CZ 3.68Å; Y329-F396 HydrophobicContact CE2-CZ 3.68Å; Y329-F396 HydrophobicContact CG-CE1 4.31Å; Y329-F396 AromaticContact CG-CZ 3.98Å; Y329-F396 HydrophobicContact CG-CZ 3.98Å; Y329-F396 AromaticContact CZ-CE1 3.89Å; Y329-F396 AromaticContact CZ-CZ 3.6Å; Y329-Y404 HydrophobicContact CD1-CE2 4.27Å; Y329-Y404 HydrophobicContact CG-CE2 4.48Å
330I98.4Very high96.2Very high0 Ų025 Ų250%011%0.112CC..BIsolated β-bridgetrans-135.6162.7-179.465.8170.8000111.6A321 L324 P333 I385 T386 Y404 I407A321-I330 HydrophobicContact CB-CD1 4.22Å; A321-I330 WeakPolarHBondContact O-CD1 3.27Å; L324-I330 HydrophobicContact CB-CD1 3.85Å; L324-I330 HydrophobicContact CB-CG1 3.77Å; L324-I330 HydrophobicContact CB-CG2 4.38Å; L324-I330 HydrophobicContact CD1-CD1 4.46Å; I330-P333 HydrophobicContact CD1-CB 4.28Å; I330-I385 HydrophobicContact CD1-CG2 4.13Å; I330-T386 CarbonylContact C-O 3.53Å; I330-T386 WeakPolarHBondContact CA-O 3.3Å; I330-Y404 HydrophobicContact CG2-CD2 4.18Å; I330-Y404 HydrophobicContact CG2-CE2 4.48Å; I330-I407 HydrophobicContact CD1-CD1 3.84Å; I330-I407 HydrophobicContact CG2-CD1 4.01Å; I330-I407 HydrophobicContact CG2-CG2 4.05Å
331S97.8Very high96Very high4 Ų426.6 Ų26.63%0.02812%0.123CC..SBendtrans-68.8168.6165.859.20000111.1S152 P384 I385 T386S152-S331 CarbonylContact O-C 3.59Å; S152-S331 WeakPolarHBondContact O-CA 3.34Å; S331-P384 PolarHBondContact OG-O 3.04Å; S331-I385 WeakPolarHBondContact OG-CA 3.38Å; S331-T386 PolarHBondContact N-O 3.22Å; S331-T386 PolarHBondContact OG-N 3.36Å; S331-T386 PolarHBondContact OG-OG1 3.03Å
332Y97.4Very high95.6Very high4 Ų434.1 Ų34.12%0.01617%0.169CC..  trans-57.4125-174.4-168-118000112D117 D119 S152 Y325 R334 H382D117-Y332 HydrophobicContact CB-CE2 3.67Å; D117-Y332 WeakPolarHBondContact CB-OH 3.28Å; D119-Y332 HydrophobicContact CB-CE1 4.09Å; D119-Y332 PolarHBondContact OD2-OH 3.48Å; S152-Y332 WeakPolarHBondContact O-CB 3.43Å; S152-Y332 PolarHBondContact O-N 3.08Å; Y325-Y332 AromaticContact CD1-CD2 3.91Å; Y325-Y332 HydrophobicContact CD1-CD2 3.91Å; Y325-Y332 HydrophobicContact CD1-CE2 4.3Å; Y325-Y332 AromaticContact CD2-CD2 3.99Å; Y325-Y332 HydrophobicContact CD2-CD2 3.99Å; Y325-Y332 AromaticContact CE1-CD2 3.58Å; Y325-Y332 HydrophobicContact CE1-CD2 3.58Å; Y325-Y332 AromaticContact CE1-CE2 3.85Å; Y325-Y332 HydrophobicContact CE1-CE2 3.85Å; Y325-Y332 AromaticContact CE2-CD2 3.66Å; Y325-Y332 HydrophobicContact CE2-CD2 3.66Å; Y325-Y332 HydrophobicContact CE2-CG 4.32Å; Y325-Y332 HydrophobicContact CG-CD2 4.09Å; Y325-Y332 AromaticContact CZ-CD2 3.43Å; Y325-Y332 VanDerWaalsContact CZ-CD2 3.43Å; Y332-R334 VanDerWaalsContact C-N 3.32Å; Y332-R334 HydrophobicContact CD1-CB 4.11Å; Y332-R334 HydrophobicContact CE1-CB 3.58Å; Y332-R334 HydrophobicContact CE1-CG 4.37Å; Y332-R334 PolarHBondContact O-N 3.2Å; Y332-H382 AromaticContact CD1-CD2 3.46Å; Y332-H382 VanDerWaalsContact CD1-CD2 3.46Å; Y332-H382 WeakPolarHBondContact CD1-CD2 3.44Å; Y332-H382 AromaticContact CD1-CE1 4Å; Y332-H382 AromaticContact CD1-NE2 3.37Å; Y332-H382 WeakPolarHBondContact CD1-NE2 3.17Å; Y332-H382 AromaticContact CE1-NE2 3.77Å
333P97.5Very high95.3Very high0 Ų038.8 Ų38.80%020%0.195CC..SBendtrans-87.82.9-166.335.2-37.3000114.2T299 M318 A321 E322 I330 I385T299-P333 PolarHBondContact OG1-O 3.02Å; M318-P333 HydrophobicContact CE-CB 4.23Å; M318-P333 HydrophobicContact CE-CG 4.26Å; A321-P333 HydrophobicContact CB-CB 3.58Å; A321-P333 HydrophobicContact CB-CG 4Å; E322-P333 HydrophobicContact CG-CG 4.21Å; I330-P333 HydrophobicContact CD1-CB 4.28Å; P333-I385 HydrophobicContact CB-CD1 4.29Å
334R96Very high95.1Very high56 Ų5636 Ų3621%0.21119%0.186CC..  trans-108.983.3177.3-63.8171.5173.2-107.21.8108.5T299 M318 E322 Y332 A507T299-R334 VanDerWaalsContact OG1-CA 3.26Å; T299-R334 WeakPolarHBondContact OG1-CA 3.35Å; M318-R334 HydrophobicContact CE-CG 3.55Å; E322-R334 IonicContact OE1-CZ 2.77Å; E322-R334 VanDerWaalsContact OE1-CZ 3.27Å; E322-R334 IonicContact OE1-NE 3.83Å; E322-R334 PolarHBondContact OE1-NE 3.12Å; E322-R334 IonicContact OE1-NH2 2.72Å; E322-R334 PolarHBondContact OE1-NH2 3.49Å; Y332-R334 VanDerWaalsContact C-N 3.32Å; Y332-R334 HydrophobicContact CD1-CB 4.11Å; Y332-R334 HydrophobicContact CE1-CB 3.58Å; Y332-R334 HydrophobicContact CE1-CG 4.37Å; Y332-R334 PolarHBondContact O-N 3.2Å; R334-A507 HydrophobicContact CB-CB 3.93Å; R334-A507 HydrophobicContact CG-CB 3.77Å
335T94.5Very high95Very high3 Ų339.8 Ų39.82%0.01821%0.206CC..  trans-143136.3-178179.60000110.6N298 T299 T337 D381 H382 I385N298-T335 WeakPolarHBondContact CB-O 3.49Å; T299-T335 PolarHBondContact N-O 3.02Å; T299-T335 PolarHBondContact OG1-N 2.96Å; T299-T335 PolarHBondContact OG1-O 3.35Å; T335-T337 WeakPolarHBondContact OG1-CB 3.48Å; T335-T337 PolarHBondContact OG1-N 3.04Å; T335-T337 VanDerWaalsContact OG1-N 3.13Å; T335-D381 WeakPolarHBondContact CA-OD2 3.38Å; T335-D381 PolarHBondContact OG1-OD1 3.32Å; T335-D381 PolarHBondContact OG1-OD2 2.73Å; T335-H382 PolarHBondContact OG1-O 2.91Å; T335-I385 HydrophobicContact CG2-CD1 4.35Å; T335-I385 HydrophobicContact CG2-CG1 3.69Å
336E93Very high95Very high80 Ų8041 Ų4137%0.37421%0.213SC..  trans-85.8-19.2169.9-66.4-170.1-177.600112.1N298 N338 A379 D381N298-E336 PolarHBondContact ND2-O 2.98Å; E336-N338 PolarHBondContact O-N 3.46Å; E336-A379 HydrophobicContact CB-CB 3.71Å; E336-D381 PolarHBondContact N-OD2 3.19Å
337T95.9Very high95.2Very high2 Ų242.9 Ų42.91%0.01223%0.225CC..  trans-67.3126-177.3-68.60000111.9T335 Q339 A379 D381 H382 P384T335-T337 WeakPolarHBondContact OG1-CB 3.48Å; T335-T337 PolarHBondContact OG1-N 3.04Å; T335-T337 VanDerWaalsContact OG1-N 3.13Å; T337-Q339 WeakPolarHBondContact CG2-O 3.29Å; T337-A379 PolarHBondContact OG1-N 3.21Å; T337-D381 WeakPolarHBondContact CB-OD1 3.29Å; T337-D381 PolarHBondContact OG1-OD1 3.4Å; T337-H382 WeakPolarHBondContact CB-O 3.33Å; T337-H382 WeakPolarHBondContact CG2-O 3.23Å; T337-H382 PolarHBondContact OG1-O 3.27Å; T337-P384 HydrophobicContact CG2-CG 4.22Å
338N97Very high95.4Very high26 Ų2640.3 Ų40.314%0.13922%0.22CC..  trans-120.325.3172.566.47.9000112.1Q295 A296 N298 E336 G376 K377Q295-N338 PolarHBondContact OE1-ND2 2.94Å; A296-N338 WeakPolarHBondContact CB-O 3.12Å; A296-N338 PolarHBondContact N-O 2.69Å; A296-N338 VanDerWaalsContact O-CB 3.23Å; A296-N338 WeakPolarHBondContact O-CB 3.41Å; N298-N338 HydrophobicContact CB-CB 4.17Å; E336-N338 PolarHBondContact O-N 3.46Å; N338-G376 VanDerWaalsContact OD1-CA 3.25Å; N338-G376 WeakPolarHBondContact OD1-CA 3.41Å; N338-K377 PolarHBondContact N-O 2.92Å; N338-K377 PolarHBondContact OD1-N 3.25Å; N338-K377 PolarHBondContact OD1-O 3.46Å
339Q97.6Very high95.5Very high51 Ų5140.6 Ų40.624%0.23822%0.221CC..SBendtrans-124.5128.3174.5-176.9176.4-69.300110.4T337 G376 K377 P384T337-Q339 WeakPolarHBondContact CG2-O 3.29Å; Q339-G376 PolarHBondContact OE1-O 2.68Å; Q339-K377 PolarHBondContact N-O 2.91Å; Q339-P384 WeakPolarHBondContact O-CD 3.36Å; Q339-P384 WeakPolarHBondContact O-CG 3.47Å
340Y97.4Very high95.5Very high20 Ų2039.5 Ų39.58%0.07822%0.216CC..  trans-68.7136.9170.9-61-69.9000110.7A296 F344 L346 P373 P384 T386 F411 T414A296-Y340 HydrophobicContact CB-CD1 4.49Å; A296-Y340 HydrophobicContact CB-CD2 3.98Å; A296-Y340 HydrophobicContact CB-CE1 4.04Å; A296-Y340 HydrophobicContact CB-CE2 3.54Å; A296-Y340 HydrophobicContact CB-CG 4.45Å; Y340-F344 HydrophobicContact CD1-CD1 4.01Å; Y340-F344 HydrophobicContact CD1-CE1 4.08Å; Y340-F344 HydrophobicContact CD1-CG 4.28Å; Y340-F344 HydrophobicContact CD1-CZ 4.41Å; Y340-F344 HydrophobicContact CE1-CE1 4.38Å; Y340-L346 HydrophobicContact CD1-CD2 4.16Å; Y340-L346 HydrophobicContact CD2-CD2 3.96Å; Y340-L346 HydrophobicContact CE1-CD2 4.38Å; Y340-L346 HydrophobicContact CE2-CD2 4.14Å; Y340-L346 HydrophobicContact CG-CD2 3.95Å; Y340-P373 HydrophobicContact CD2-CB 3.56Å; Y340-P373 HydrophobicContact CD2-CG 3.56Å; Y340-P373 HydrophobicContact CE2-CB 3.79Å; Y340-P373 HydrophobicContact CE2-CG 3.84Å; Y340-P384 HydrophobicContact CD1-CB 4.22Å; Y340-P384 HydrophobicContact CD1-CG 3.78Å; Y340-P384 HydrophobicContact CE1-CB 3.88Å; Y340-P384 HydrophobicContact CE1-CG 3.94Å; Y340-P384 HydrophobicContact CG-CG 4.31Å; Y340-T386 HydrophobicContact CD1-CG2 4.45Å; Y340-T386 HydrophobicContact CE1-CG2 3.54Å; Y340-F411 HydrophobicContact CE1-CD2 4.36Å; Y340-F411 HydrophobicContact CE1-CE2 4.33Å; Y340-F411 VanDerWaalsContact OH-CD2 3.27Å; Y340-F411 WeakPolarHBondContact OH-CD2 3.48Å; Y340-T414 PolarHBondContact OH-OG1 3.37Å
341P94Very high95.4Very high41 Ų4144.4 Ų44.427%0.26624%0.239SC..  trans-55.2148.7170-25.333.1000111.8N343 F344 P383P341-N343 VanDerWaalsContact CB-OD1 3.31Å; P341-N343 WeakPolarHBondContact CB-OD1 3.49Å; P341-N343 PolarHBondContact O-N 3.19Å; P341-N343 VanDerWaalsContact O-N 3.14Å; P341-F344 HydrophobicContact CB-CB 4.31Å; P341-F344 HydrophobicContact CG-CD2 4.32Å; P341-F344 WeakPolarHBondContact O-CB 3.41Å; P341-F344 PolarHBondContact O-N 2.77Å; P341-P383 HydrophobicContact CG-CB 4.41Å; P341-P383 HydrophobicContact CG-CG 4.37Å
342T90.8Very high95.3Very high158 Ų15846.3 Ų46.397%0.96925%0.25SS*.THydrogen-bonded Turntrans-60-26.2179.624.70000113.7
343N89.4Confident95.3Very high134 Ų13446.1 Ų46.172%0.71725%0.25SC*.THydrogen-bonded Turntrans-9611.3177.165.2-12000113.6P341 D345P341-N343 VanDerWaalsContact CB-OD1 3.31Å; P341-N343 WeakPolarHBondContact CB-OD1 3.49Å; P341-N343 PolarHBondContact O-N 3.19Å; P341-N343 VanDerWaalsContact O-N 3.14Å; N343-D345 PolarHBondContact O-N 3.03Å
344F91.6Very high95.3Very high44 Ų4450.4 Ų50.419%0.19327%0.268CS..  trans-73.7124.6-179-161.1-86.7000110.9Y340 P341 L346 V349 P383 T386Y340-F344 HydrophobicContact CD1-CD1 4.01Å; Y340-F344 HydrophobicContact CD1-CE1 4.08Å; Y340-F344 HydrophobicContact CD1-CG 4.28Å; Y340-F344 HydrophobicContact CD1-CZ 4.41Å; Y340-F344 HydrophobicContact CE1-CE1 4.38Å; P341-F344 HydrophobicContact CB-CB 4.31Å; P341-F344 HydrophobicContact CG-CD2 4.32Å; P341-F344 WeakPolarHBondContact O-CB 3.41Å; P341-F344 PolarHBondContact O-N 2.77Å; F344-L346 HydrophobicContact CD1-CD2 3.73Å; F344-L346 HydrophobicContact CD1-CG 4.22Å; F344-L346 HydrophobicContact CE1-CD2 4.21Å; F344-L346 PolarHBondContact O-N 3.42Å; F344-V349 HydrophobicContact CE1-CG2 3.86Å; F344-V349 HydrophobicContact CZ-CG2 4.34Å; F344-P383 HydrophobicContact CD2-CB 4.23Å; F344-P383 HydrophobicContact CE2-CB 3.83Å; F344-P383 HydrophobicContact CE2-CG 4.38Å; F344-T386 HydrophobicContact CE1-CG2 4.33Å; F344-T386 HydrophobicContact CZ-CG2 3.95Å
345D94.3Very high95.3Very high80 Ų8052.4 Ų52.443%0.42829%0.288SS..  trans-82.179.1-177-170.6-11.8000110.8N343 P347 A348N343-D345 PolarHBondContact O-N 3.03Å; D345-P347 WeakPolarHBondContact OD1-CD 3.48Å; D345-A348 HydrophobicContact CB-CB 4.02Å; D345-A348 WeakPolarHBondContact O-CB 3.44Å; D345-A348 PolarHBondContact O-N 3.35Å; D345-A348 WeakPolarHBondContact OD1-CB 3.41Å; D345-A348 PolarHBondContact OD1-N 2.92Å; D345-A348 VanDerWaalsContact OD1-N 3.1Å; D345-A348 WeakPolarHBondContact OD2-CB 3.48Å
346L96.6Very high95.4Very high27 Ų2752.5 Ų52.514%0.14129%0.29CS..Hα-helixtrans-58.4-43.3-179.8-59.3164.5000112.9Y340 F344 A348 V349 L350 I370 P373 F411 V415Y340-L346 HydrophobicContact CD1-CD2 4.16Å; Y340-L346 HydrophobicContact CD2-CD2 3.96Å; Y340-L346 HydrophobicContact CE1-CD2 4.38Å; Y340-L346 HydrophobicContact CE2-CD2 4.14Å; Y340-L346 HydrophobicContact CG-CD2 3.95Å; F344-L346 HydrophobicContact CD1-CD2 3.73Å; F344-L346 HydrophobicContact CD1-CG 4.22Å; F344-L346 HydrophobicContact CE1-CD2 4.21Å; F344-L346 PolarHBondContact O-N 3.42Å; L346-A348 VanDerWaalsContact C-N 3.31Å; L346-A348 PolarHBondContact O-N 3.42Å; L346-V349 PolarHBondContact O-N 2.9Å; L346-L350 PolarHBondContact O-N 3.35Å; L346-I370 HydrophobicContact CB-CD1 3.77Å; L346-P373 HydrophobicContact CD1-CG 3.6Å; L346-P373 HydrophobicContact CD2-CG 4.26Å; L346-F411 HydrophobicContact CD2-CE2 3.98Å; L346-F411 HydrophobicContact CD2-CZ 4.33Å; L346-V415 HydrophobicContact CB-CG1 4.41Å; L346-V415 HydrophobicContact CD1-CG1 4.19Å; L346-V415 HydrophobicContact CD2-CG1 4.06Å; L346-V415 HydrophobicContact CG-CG1 4.46Å
347P97.1Very high95.5Very high50 Ų5053.7 Ų53.733%0.32531%0.313SS..Hα-helixtrans-58.9-38.1175.9-25.936.2000113.5D345 V349 L350 H351 L367 I370D345-P347 WeakPolarHBondContact OD1-CD 3.48Å; P347-V349 VanDerWaalsContact C-N 3.27Å; P347-V349 PolarHBondContact O-N 2.8Å; P347-L350 PolarHBondContact O-N 3.42Å; P347-L350 VanDerWaalsContact O-N 3.15Å; P347-H351 PolarHBondContact O-CD2 2.67Å; P347-H351 PolarHBondContact O-N 2.9Å; P347-L367 HydrophobicContact CB-CD2 4.16Å; P347-I370 HydrophobicContact CG-CD1 4.22Å
348A95.4Very high95.4Very high39 Ų3956.1 Ų56.132%0.32233%0.326SS..Hα-helixtrans-58.9-38.3177.700000112.6D345 L346 H351 V352D345-A348 HydrophobicContact CB-CB 4.02Å; D345-A348 WeakPolarHBondContact O-CB 3.44Å; D345-A348 PolarHBondContact O-N 3.35Å; D345-A348 WeakPolarHBondContact OD1-CB 3.41Å; D345-A348 PolarHBondContact OD1-N 2.92Å; D345-A348 VanDerWaalsContact OD1-N 3.1Å; D345-A348 WeakPolarHBondContact OD2-CB 3.48Å; L346-A348 VanDerWaalsContact C-N 3.31Å; L346-A348 PolarHBondContact O-N 3.42Å; A348-H351 WeakPolarHBondContact O-CB 3.44Å; A348-H351 PolarHBondContact O-N 3.01Å; A348-V352 PolarHBondContact O-N 3.48Å; A348-V352 VanDerWaalsContact O-N 3.15Å
349V96Very high95.4Very high11 Ų1154.9 Ų54.97%0.06732%0.319CS..Hα-helixtrans-65.9-41.3176.7-178.40000111.3F344 L346 P347 H351 V352 L353 P387 F411F344-V349 HydrophobicContact CE1-CG2 3.86Å; F344-V349 HydrophobicContact CZ-CG2 4.34Å; L346-V349 PolarHBondContact O-N 2.9Å; P347-V349 VanDerWaalsContact C-N 3.27Å; P347-V349 PolarHBondContact O-N 2.8Å; V349-H351 VanDerWaalsContact C-N 3.32Å; V349-H351 PolarHBondContact O-N 2.84Å; V349-V352 WeakPolarHBondContact O-CB 3.36Å; V349-V352 PolarHBondContact O-N 3.37Å; V349-L353 PolarHBondContact O-N 2.98Å; V349-P387 HydrophobicContact CG1-CG 3.67Å; V349-P387 WeakPolarHBondContact CG1-O 3.4Å; V349-F411 HydrophobicContact CB-CD1 4.47Å; V349-F411 HydrophobicContact CB-CE1 3.66Å; V349-F411 HydrophobicContact CB-CE2 4.05Å; V349-F411 HydrophobicContact CB-CZ 3.43Å; V349-F411 VanDerWaalsContact CB-CZ 3.43Å; V349-F411 HydrophobicContact CG1-CD1 3.63Å; V349-F411 HydrophobicContact CG1-CD2 4.14Å; V349-F411 HydrophobicContact CG1-CE1 3.29Å; V349-F411 HydrophobicContact CG1-CE2 3.86Å; V349-F411 HydrophobicContact CG1-CG 4.06Å; V349-F411 HydrophobicContact CG1-CZ 3.44Å; V349-F411 VanDerWaalsContact CG1-CZ 3.44Å; V349-F411 HydrophobicContact CG2-CE2 4.36Å; V349-F411 HydrophobicContact CG2-CZ 4.16Å
350L97.7Very high95.3Very high0 Ų052.5 Ų52.50%031%0.308CS..Hα-helixtrans-65.7-35.3174.6-67170000112.2L346 P347 V352 L353 K354 I366 L367 I370 F411 M412 V415L346-L350 PolarHBondContact O-N 3.35Å; P347-L350 PolarHBondContact O-N 3.42Å; P347-L350 VanDerWaalsContact O-N 3.15Å; L350-V352 VanDerWaalsContact C-N 3.27Å; L350-V352 PolarHBondContact O-N 3.08Å; L350-L353 PolarHBondContact O-N 2.93Å; L350-L353 VanDerWaalsContact O-N 3.08Å; L350-K354 PolarHBondContact O-N 3Å; L350-I366 HydrophobicContact CD1-CB 4.4Å; L350-I366 HydrophobicContact CD1-CG2 3.73Å; L350-I366 HydrophobicContact CD2-CB 4.47Å; L350-I366 HydrophobicContact CD2-CG2 4.16Å; L350-L367 HydrophobicContact CB-CD1 3.94Å; L350-L367 HydrophobicContact CB-CD2 3.83Å; L350-L367 HydrophobicContact CB-CG 3.62Å; L350-L367 HydrophobicContact CD1-CD2 3.98Å; L350-L367 HydrophobicContact CD1-CG 3.86Å; L350-L367 HydrophobicContact CG-CG 4.37Å; L350-I370 HydrophobicContact CD1-CD1 3.81Å; L350-I370 HydrophobicContact CD1-CG1 4.25Å; L350-F411 HydrophobicContact CD2-CD1 4.41Å; L350-F411 HydrophobicContact CD2-CE1 3.77Å; L350-F411 HydrophobicContact CG-CE1 3.92Å; L350-M412 HydrophobicContact CD2-CG 3.97Å; L350-V415 HydrophobicContact CD1-CG2 4.37Å; L350-V415 HydrophobicContact CD2-CG2 4.29Å
351H97.3Very high95.2Very high102 Ų10258.7 Ų58.747%0.47234%0.338SS..Hα-helixtrans-62.3-33.2174.5-78.1-57.2000112.8P347 A348 V349 L353P347-H351 PolarHBondContact O-CD2 2.67Å; P347-H351 PolarHBondContact O-N 2.9Å; A348-H351 WeakPolarHBondContact O-CB 3.44Å; A348-H351 PolarHBondContact O-N 3.01Å; V349-H351 VanDerWaalsContact C-N 3.32Å; V349-H351 PolarHBondContact O-N 2.84Å; H351-L353 VanDerWaalsContact C-N 3.31Å; H351-L353 PolarHBondContact O-N 3.39Å
352V95.9Very high95.4Very high45 Ų4559.3 Ų59.327%0.27334%0.337SS..Hα-helixtrans-62.5-38.7172172.40000111.2A348 V349 L350 P355 L390A348-V352 PolarHBondContact O-N 3.48Å; A348-V352 VanDerWaalsContact O-N 3.15Å; V349-V352 WeakPolarHBondContact O-CB 3.36Å; V349-V352 PolarHBondContact O-N 3.37Å; L350-V352 VanDerWaalsContact C-N 3.27Å; L350-V352 PolarHBondContact O-N 3.08Å; V352-P355 VanDerWaalsContact O-CD 3.31Å; V352-P355 WeakPolarHBondContact O-CD 3.38Å; V352-L390 HydrophobicContact CG1-CB 4.17Å; V352-L390 VanDerWaalsContact CG1-N 3.29Å
353L97.2Very high95.7Very high0 Ų051.8 Ų51.80%029%0.291CS..Hα-helixtrans-82.9-23.6-176.8-59.5-179.7000113.9V349 L350 H351 P355 S356 F359 A363 P387 C408 F411 M412V349-L353 PolarHBondContact O-N 2.98Å; L350-L353 PolarHBondContact O-N 2.93Å; L350-L353 VanDerWaalsContact O-N 3.08Å; H351-L353 VanDerWaalsContact C-N 3.31Å; H351-L353 PolarHBondContact O-N 3.39Å; L353-P355 VanDerWaalsContact C-N 3.34Å; L353-S356 WeakPolarHBondContact O-CB 3.49Å; L353-S356 PolarHBondContact O-N 3.26Å; L353-F359 HydrophobicContact CB-CB 4.46Å; L353-F359 HydrophobicContact CD2-CD2 4.38Å; L353-A363 HydrophobicContact CB-CB 4.05Å; L353-P387 HydrophobicContact CD1-CG 4.16Å; L353-P387 HydrophobicContact CD2-CB 4.27Å; L353-P387 HydrophobicContact CD2-CG 4.35Å; L353-C408 HydrophobicContact CD1-CB 4.37Å; L353-C408 HydrophobicContact CD2-CB 4.42Å; L353-F411 HydrophobicContact CD1-CD1 4.45Å; L353-M412 HydrophobicContact CD1-CE 4.4Å; L353-M412 HydrophobicContact CD1-CG 4Å; L353-M412 HydrophobicContact CD1-SD 4.2Å
354K96.2Very high96.1Very high89 Ų8951.6 Ų51.639%0.38728%0.28SS..THydrogen-bonded Turntrans-49.4-37.8-177.4178175.4177.2-174.80115.8L350 S356 G360 R364 L367L350-K354 PolarHBondContact O-N 3Å; K354-S356 VanDerWaalsContact C-N 3.26Å; K354-S356 PolarHBondContact O-N 3.18Å; K354-G360 WeakPolarHBondContact O-CA 3.42Å; K354-R364 HydrophobicContact CD-CG 4.13Å; K354-R364 HydrophobicContact CG-CG 3.8Å; K354-R364 PolarHBondContact O-NH1 3.3Å; K354-L367 HydrophobicContact CD-CD1 4.46Å
355P96.5Very high96.3Very high98 Ų9853.7 Ų53.764%0.63630%0.3SS*.THydrogen-bonded Turntrans-75.9-10178.5-15.631.7000114.2V352 L353 L390V352-P355 VanDerWaalsContact O-CD 3.31Å; V352-P355 WeakPolarHBondContact O-CD 3.38Å; L353-P355 VanDerWaalsContact C-N 3.34Å; P355-L390 HydrophobicContact CB-CD2 3.97Å; P355-L390 HydrophobicContact CG-CD2 4.35Å
356S96.3Very high96.4Very high6 Ų650.7 Ų50.74%0.04228%0.284CS..  trans-64.4141.3-177-176.80000112.4L353 K354 D358 F359 G360L353-S356 WeakPolarHBondContact O-CB 3.49Å; L353-S356 PolarHBondContact O-N 3.26Å; K354-S356 VanDerWaalsContact C-N 3.26Å; K354-S356 PolarHBondContact O-N 3.18Å; S356-D358 PolarHBondContact OG-N 3.37Å; S356-F359 VanDerWaalsContact OG-CD2 3.26Å; S356-F359 WeakPolarHBondContact OG-CD2 3.32Å; S356-F359 PolarHBondContact OG-N 3.01Å; S356-G360 WeakPolarHBondContact O-CA 3.25Å; S356-G360 PolarHBondContact O-N 3.49Å
357A94.7Very high96.4Very high105 Ų10551.5 Ų51.587%0.86829%0.288SS*.THydrogen-bonded Turntrans-72.4-30.4166.600000112.4
358D94.6Very high96.4Very high53 Ų5352.6 Ų52.628%0.28331%0.308SS..THydrogen-bonded Turntrans-88.2-23.2-175.9-60.1-80.3000113.8S356 W401 R409S356-D358 PolarHBondContact OG-N 3.37Å; D358-W401 HydrophobicContact CB-CH2 4.32Å; D358-W401 HydrophobicContact CB-CZ2 4.2Å; D358-W401 WeakPolarHBondContact OD2-CH2 3.49Å; D358-R409 PolarHBondContact O-NH2 3.07Å
359F95.9Very high96.4Very high0 Ų053.9 Ų53.90%031%0.31CS..THydrogen-bonded Turntrans-129.3-11.9-172.9-46.2-53.9000114.4L353 S356 E361 E362 A363 W401 Y404 E405 C408 R409 M412L353-F359 HydrophobicContact CB-CB 4.46Å; L353-F359 HydrophobicContact CD2-CD2 4.38Å; S356-F359 VanDerWaalsContact OG-CD2 3.26Å; S356-F359 WeakPolarHBondContact OG-CD2 3.32Å; S356-F359 PolarHBondContact OG-N 3.01Å; F359-E361 VanDerWaalsContact C-N 3.34Å; F359-E361 PolarHBondContact O-N 3.45Å; F359-E362 PolarHBondContact O-N 3.46Å; F359-A363 VanDerWaalsContact O-CB 3.27Å; F359-A363 WeakPolarHBondContact O-CB 3.41Å; F359-A363 PolarHBondContact O-N 2.92Å; F359-W401 AromaticContact CE2-CH2 3.97Å; F359-W401 HydrophobicContact CE2-CH2 3.97Å; F359-W401 AromaticContact CZ-CH2 3.87Å; F359-W401 HydrophobicContact CZ-CH2 3.87Å; F359-W401 HydrophobicContact CZ-CZ2 4.05Å; F359-Y404 HydrophobicContact CE2-CE1 4.21Å; F359-E405 HydrophobicContact CE1-CG 3.99Å; F359-E405 HydrophobicContact CZ-CB 4.17Å; F359-E405 HydrophobicContact CZ-CG 4.14Å; F359-C408 HydrophobicContact CD2-CB 4.4Å; F359-C408 HydrophobicContact CE1-CB 4.35Å; F359-C408 HydrophobicContact CE2-CB 4.15Å; F359-C408 HydrophobicContact CZ-CB 4.13Å; F359-R409 HydrophobicContact CD1-CG 4.42Å; F359-R409 HydrophobicContact CE1-CG 4.2Å; F359-M412 HydrophobicContact CB-CE 3.78Å; F359-M412 HydrophobicContact CB-SD 4.4Å; F359-M412 HydrophobicContact CD1-CE 3.82Å; F359-M412 HydrophobicContact CG-CE 4.01Å
360G96.2Very high96.4Very high0 Ų056.3 Ų56.30%032%0.322CS..Hα-helixtrans-69.2-30.7-163.500000113.9K354 S356 R364K354-G360 WeakPolarHBondContact O-CA 3.42Å; S356-G360 WeakPolarHBondContact O-CA 3.25Å; S356-G360 PolarHBondContact O-N 3.49Å; G360-R364 WeakPolarHBondContact O-CB 3.23Å; G360-R364 VanDerWaalsContact O-CG 3.27Å; G360-R364 WeakPolarHBondContact O-CG 3.25Å; G360-R364 PolarHBondContact O-N 3.38Å; G360-R364 VanDerWaalsContact O-N 3.11Å; G360-R364 PolarHBondContact O-NE 2.94Å
361E96.5Very high96.4Very high151 Ų15158.9 Ų58.971%0.70633%0.334SS*.Hα-helixtrans-67-52175.6-174.8177.3168.300110.9F359 A363 R364 S365F359-E361 VanDerWaalsContact C-N 3.34Å; F359-E361 PolarHBondContact O-N 3.45Å; E361-A363 PolarHBondContact O-N 2.98Å; E361-R364 PolarHBondContact O-N 3.33Å; E361-S365 PolarHBondContact O-N 3.27Å
362E96.5Very high96.3Very high53 Ų5359.8 Ų59.825%0.24835%0.347CS..Hα-helixtrans-63.9-42.7179.2-60.293.5146.300111.2F359 R364 S365 I366 R409 M412F359-E362 PolarHBondContact O-N 3.46Å; E362-R364 VanDerWaalsContact C-N 3.32Å; E362-R364 PolarHBondContact O-N 2.79Å; E362-S365 PolarHBondContact O-N 3.31Å; E362-I366 WeakPolarHBondContact O-CB 3.24Å; E362-I366 VanDerWaalsContact O-CG1 3.26Å; E362-I366 WeakPolarHBondContact O-CG1 3.48Å; E362-I366 PolarHBondContact O-N 3.28Å; E362-R409 IonicContact OE1-NH1 3.22Å; E362-M412 HydrophobicContact CB-SD 4.23Å
363A97.4Very high96.4Very high0 Ų058.9 Ų58.90%034%0.341CS..Hα-helixtrans-60.2-40.4176.700000112.1L353 F359 E361 L367 M412L353-A363 HydrophobicContact CB-CB 4.05Å; F359-A363 VanDerWaalsContact O-CB 3.27Å; F359-A363 WeakPolarHBondContact O-CB 3.41Å; F359-A363 PolarHBondContact O-N 2.92Å; E361-A363 PolarHBondContact O-N 2.98Å; A363-L367 WeakPolarHBondContact O-CB 3.07Å; A363-L367 WeakPolarHBondContact O-CG 3.46Å; A363-L367 PolarHBondContact O-N 3.01Å; A363-M412 HydrophobicContact CB-SD 4.19Å
364R97.7Very high96.4Very high131 Ų13164.9 Ų64.949%0.49436%0.364SS..Hα-helixtrans-65-43.1174.2-79.1-176.2-77.3-97.64.7112K354 G360 E361 E362 L367 G368K354-R364 HydrophobicContact CD-CG 4.13Å; K354-R364 HydrophobicContact CG-CG 3.8Å; K354-R364 PolarHBondContact O-NH1 3.3Å; G360-R364 WeakPolarHBondContact O-CB 3.23Å; G360-R364 VanDerWaalsContact O-CG 3.27Å; G360-R364 WeakPolarHBondContact O-CG 3.25Å; G360-R364 PolarHBondContact O-N 3.38Å; G360-R364 VanDerWaalsContact O-N 3.11Å; G360-R364 PolarHBondContact O-NE 2.94Å; E361-R364 PolarHBondContact O-N 3.33Å; E362-R364 VanDerWaalsContact C-N 3.32Å; E362-R364 PolarHBondContact O-N 2.79Å; R364-L367 PolarHBondContact O-N 3.21Å; R364-G368 PolarHBondContact O-N 3.05Å
365S96.3Very high96.4Very high87 Ų8768.7 Ų68.761%0.60838%0.381SS*.Hα-helixtrans-62.8-45.2178.3-179.60000111.5E361 E362 G368E361-S365 PolarHBondContact O-N 3.27Å; E362-S365 PolarHBondContact O-N 3.31Å; S365-G368 PolarHBondContact O-N 3.03Å
366I97.4Very high96.3Very high17 Ų1765.1 Ų65.19%0.08736%0.361CS..Hα-helixtrans-68.1-37.5180-64.9164000111.1L350 E362 G368 D369 I370 M412 V415 S416L350-I366 HydrophobicContact CD1-CB 4.4Å; L350-I366 HydrophobicContact CD1-CG2 3.73Å; L350-I366 HydrophobicContact CD2-CB 4.47Å; L350-I366 HydrophobicContact CD2-CG2 4.16Å; E362-I366 WeakPolarHBondContact O-CB 3.24Å; E362-I366 VanDerWaalsContact O-CG1 3.26Å; E362-I366 WeakPolarHBondContact O-CG1 3.48Å; E362-I366 PolarHBondContact O-N 3.28Å; I366-G368 PolarHBondContact O-N 3.16Å; I366-D369 CarbonylContact O-C 3.58Å; I366-D369 PolarHBondContact O-N 3.41Å; I366-I370 WeakPolarHBondContact O-CA 3.2Å; I366-I370 PolarHBondContact O-N 3.01Å; I366-M412 HydrophobicContact CD1-CB 3.71Å; I366-M412 HydrophobicContact CD1-CG 4.09Å; I366-M412 HydrophobicContact CD1-SD 4.28Å; I366-V415 HydrophobicContact CG2-CB 4.43Å; I366-V415 HydrophobicContact CG2-CG2 3.76Å; I366-S416 WeakPolarHBondContact CD1-OG 3.21Å
367L96.4Very high96.3Very high45 Ų4570.9 Ų70.924%0.23639%0.386CS..Hα-helixtrans-57.8-31.5174.7-89.6164.6000113P347 L350 K354 A363 R364 D369P347-L367 HydrophobicContact CB-CD2 4.16Å; L350-L367 HydrophobicContact CB-CD1 3.94Å; L350-L367 HydrophobicContact CB-CD2 3.83Å; L350-L367 HydrophobicContact CB-CG 3.62Å; L350-L367 HydrophobicContact CD1-CD2 3.98Å; L350-L367 HydrophobicContact CD1-CG 3.86Å; L350-L367 HydrophobicContact CG-CG 4.37Å; K354-L367 HydrophobicContact CD-CD1 4.46Å; A363-L367 WeakPolarHBondContact O-CB 3.07Å; A363-L367 WeakPolarHBondContact O-CG 3.46Å; A363-L367 PolarHBondContact O-N 3.01Å; R364-L367 PolarHBondContact O-N 3.21Å; L367-D369 VanDerWaalsContact C-N 3.26Å; L367-D369 PolarHBondContact O-N 3.49Å
368G95.9Very high96.3Very high72 Ų7270.4 Ų70.474%0.74237%0.369SS*.THydrogen-bonded Turntrans-72.3-17.3177.100000114.3R364 S365 I366R364-G368 PolarHBondContact O-N 3.05Å; S365-G368 PolarHBondContact O-N 3.03Å; I366-G368 PolarHBondContact O-N 3.16Å
369D95.7Very high96.1Very high67 Ų6769.8 Ų69.836%0.35837%0.371SS..THydrogen-bonded Turntrans-155.355.5-173-179.146.9000111.5I366 L367 Q371 R417I366-D369 CarbonylContact O-C 3.58Å; I366-D369 PolarHBondContact O-N 3.41Å; L367-D369 VanDerWaalsContact C-N 3.26Å; L367-D369 PolarHBondContact O-N 3.49Å; D369-Q371 VanDerWaalsContact CG-NE2 3.32Å; D369-Q371 PolarHBondContact O-N 3.48Å; D369-Q371 PolarHBondContact O-NE2 3.34Å; D369-Q371 PolarHBondContact OD1-NE2 2.95Å; D369-Q371 PolarHBondContact OD2-NE2 3.47Å; D369-R417 IonicContact OD1-CZ 2.61Å; D369-R417 IonicContact OD1-NH2 3.67Å; D369-R417 PolarHBondContact OD1-NH2 2.79Å; D369-R417 IonicContact OD2-CZ 3.37Å; D369-R417 IonicContact OD2-NE 2.68Å; D369-R417 PolarHBondContact OD2-NE 2.74Å; D369-R417 IonicContact OD2-NH2 3.66Å; D369-R417 PolarHBondContact OD2-NH2 3.49Å
370I96.6Very high95.8Very high62 Ų6273 Ų7332%0.31841%0.405SS..PPolyproline II helixtrans-66.4128.5-176.6-160.7174.6000110.4L346 P347 L350 I366 V415L346-I370 HydrophobicContact CB-CD1 3.77Å; P347-I370 HydrophobicContact CG-CD1 4.22Å; L350-I370 HydrophobicContact CD1-CD1 3.81Å; L350-I370 HydrophobicContact CD1-CG1 4.25Å; I366-I370 WeakPolarHBondContact O-CA 3.2Å; I366-I370 PolarHBondContact O-N 3.01Å; I370-V415 HydrophobicContact CD1-CB 4.39Å; I370-V415 HydrophobicContact CD1-CG1 4.4Å; I370-V415 HydrophobicContact CG1-CB 3.91Å; I370-V415 HydrophobicContact CG1-CG1 4.35Å
371Q97.3Very high95.5Very high54 Ų5476.1 Ų76.125%0.25242%0.421SS..PPolyproline II helixtrans-96.8149.6178.9-58.2-58.3-57.400111D369 P373 V415 S416 R417D369-Q371 VanDerWaalsContact CG-NE2 3.32Å; D369-Q371 PolarHBondContact O-N 3.48Å; D369-Q371 PolarHBondContact O-NE2 3.34Å; D369-Q371 PolarHBondContact OD1-NE2 2.95Å; D369-Q371 PolarHBondContact OD2-NE2 3.47Å; Q371-P373 WeakPolarHBondContact O-CD 3.2Å; Q371-V415 WeakPolarHBondContact CB-O 3.24Å; Q371-V415 PolarHBondContact N-O 3.08Å; Q371-S416 WeakPolarHBondContact CB-O 3.35Å; Q371-S416 WeakPolarHBondContact CG-O 3.47Å; Q371-R417 HydrophobicContact CG-CB 4.44Å; Q371-R417 HydrophobicContact CG-CG 3.71Å
372T95.8Very high95.4Very high121 Ų12169.6 Ų69.674%0.74239%0.391SS*.PPolyproline II helixtrans-62.2126.5171.4-50.80000109.9K293K293-T372 VanDerWaalsContact CE-O 3.27Å; K293-T372 WeakPolarHBondContact CE-O 3.35Å
373P97.4Very high95.3Very high25 Ų2568.5 Ų68.516%0.16239%0.388CS..PPolyproline II helixtrans-59.6151.2174.9-2534.7000112.4Y340 L346 Q371 T414 V415Y340-P373 HydrophobicContact CD2-CB 3.56Å; Y340-P373 HydrophobicContact CD2-CG 3.56Å; Y340-P373 HydrophobicContact CE2-CB 3.79Å; Y340-P373 HydrophobicContact CE2-CG 3.84Å; L346-P373 HydrophobicContact CD1-CG 3.6Å; L346-P373 HydrophobicContact CD2-CG 4.26Å; Q371-P373 WeakPolarHBondContact O-CD 3.2Å; P373-T414 WeakPolarHBondContact CA-O 3.35Å; P373-V415 HydrophobicContact CG-CG1 3.96Å
374R96.9Very high95.4Very high127 Ų12768.5 Ų68.548%0.47939%0.388SS..PPolyproline II helixtrans-66.7135.9176.5-172173.6167.8-156-5110.2Q295Q295-R374 HydrophobicContact CG-CB 4.32Å; Q295-R374 HydrophobicContact CG-CG 4.16Å
375K95.6Very high95.4Very high169 Ų16962.3 Ų62.374%0.73537%0.365SS*.PPolyproline II helixtrans-61.1138.3176.4-166.4176.9-179.4-179.50110.8Q295Q295-K375 PolarHBondContact NE2-O 3.27Å
376G96Very high95.5Very high22 Ų2258.1 Ų58.123%0.22734%0.336CS..  trans-125.5-148.1178.400000111.5N338 Q339N338-G376 VanDerWaalsContact OD1-CA 3.25Å; N338-G376 WeakPolarHBondContact OD1-CA 3.41Å; Q339-G376 PolarHBondContact OE1-O 2.68Å
377K95.3Very high95.5Very high127 Ų12757.3 Ų57.355%0.55233%0.331SS*.  trans-112.4130.7171.1-177.8-172.2175.1-1610107.6N338 Q339N338-K377 PolarHBondContact N-O 2.92Å; N338-K377 PolarHBondContact OD1-N 3.25Å; N338-K377 PolarHBondContact OD1-O 3.46Å; Q339-K377 PolarHBondContact N-O 2.91Å
378D95.1Very high95.5Very high95 Ų9557.6 Ų57.651%0.50833%0.332SS..  trans-95.8118166.5-177.72.6000107.5G380D378-G380 PolarHBondContact OD1-N 2.92Å
379A91.2Very high95.5Very high40 Ų4059.1 Ų59.133%0.33132%0.318SS..  trans-90.1-6.1178.400000112.3E336 T337 D381E336-A379 HydrophobicContact CB-CB 3.71Å; T337-A379 PolarHBondContact OG1-N 3.21Å; A379-D381 VanDerWaalsContact C-N 3.28Å; A379-D381 PolarHBondContact O-N 3.03Å
380G88Confident95.6Very high69 Ų6957.8 Ų57.871%0.71131%0.311SS*.SBendtrans74.416-179.600000114.3D378D378-G380 PolarHBondContact OD1-N 2.92Å
381D89.8Confident95.5Very high65 Ų6554.9 Ų54.935%0.34830%0.296SS..SBendtrans-96.5-76.8179.454.1-3.9000111.7T335 E336 T337 A379T335-D381 WeakPolarHBondContact CA-OD2 3.38Å; T335-D381 PolarHBondContact OG1-OD1 3.32Å; T335-D381 PolarHBondContact OG1-OD2 2.73Å; E336-D381 PolarHBondContact N-OD2 3.19Å; T337-D381 WeakPolarHBondContact CB-OD1 3.29Å; T337-D381 PolarHBondContact OG1-OD1 3.4Å; A379-D381 VanDerWaalsContact C-N 3.28Å; A379-D381 PolarHBondContact O-N 3.03Å
382H94.4Very high95.4Very high14 Ų1455.9 Ų55.97%0.06530%0.303CS..  trans-139.4154-174.6-71.2-66.2000110.6C118 S152 Y332 T335 T337C118-H382 PolarHBondContact O-NE2 3.33Å; S152-H382 PolarHBondContact OG-ND1 2.86Å; Y332-H382 AromaticContact CD1-CD2 3.46Å; Y332-H382 VanDerWaalsContact CD1-CD2 3.46Å; Y332-H382 WeakPolarHBondContact CD1-CD2 3.44Å; Y332-H382 AromaticContact CD1-CE1 4Å; Y332-H382 AromaticContact CD1-NE2 3.37Å; Y332-H382 WeakPolarHBondContact CD1-NE2 3.17Å; Y332-H382 AromaticContact CE1-NE2 3.77Å; T335-H382 PolarHBondContact OG1-O 2.91Å; T337-H382 WeakPolarHBondContact CB-O 3.33Å; T337-H382 WeakPolarHBondContact CG2-O 3.23Å; T337-H382 PolarHBondContact OG1-O 3.27Å
383P95.7Very high95.3Very high29 Ų2957.6 Ų57.619%0.18830%0.296CS..  trans-56.1159.6166.3-20.732.7000111.6S152 P341 F344S152-P383 WeakPolarHBondContact OG-CD 3.41Å; P341-P383 HydrophobicContact CG-CB 4.41Å; P341-P383 HydrophobicContact CG-CG 4.37Å; F344-P383 HydrophobicContact CD2-CB 4.23Å; F344-P383 HydrophobicContact CE2-CB 3.83Å; F344-P383 HydrophobicContact CE2-CG 4.38Å
384P98.2Very high95.2Very high0 Ų061.5 Ų61.50%032%0.324CS..  trans-53.5159.2173.3-25.735.1000112.9A296 L297 S331 T337 Q339 Y340 T386A296-P384 HydrophobicContact CB-CB 3.51Å; A296-P384 HydrophobicContact CB-CG 3.44Å; A296-P384 VanDerWaalsContact CB-CG 3.44Å; L297-P384 CarbonylContact O-C 3.56Å; L297-P384 WeakPolarHBondContact O-CA 3.41Å; L297-P384 WeakPolarHBondContact O-CB 3.5Å; S331-P384 PolarHBondContact OG-O 3.04Å; T337-P384 HydrophobicContact CG2-CG 4.22Å; Q339-P384 WeakPolarHBondContact O-CD 3.36Å; Q339-P384 WeakPolarHBondContact O-CG 3.47Å; Y340-P384 HydrophobicContact CD1-CB 4.22Å; Y340-P384 HydrophobicContact CD1-CG 3.78Å; Y340-P384 HydrophobicContact CE1-CB 3.88Å; Y340-P384 HydrophobicContact CE1-CG 3.94Å; Y340-P384 HydrophobicContact CG-CG 4.31Å; P384-T386 PolarHBondContact O-N 3.2Å; P384-T386 VanDerWaalsContact O-N 3.14Å
385I98.6Very high95Very high1 Ų159.1 Ų59.11%0.00532%0.321CS..  trans-68.7111179.5-51.8178000109.3L297 L302 I330 S331 P333 T335 I407L297-I385 HydrophobicContact CB-CB 4.27Å; L297-I385 HydrophobicContact CD2-CB 4.1Å; L297-I385 HydrophobicContact CD2-CG2 4.33Å; L297-I385 HydrophobicContact CG-CB 4.2Å; L297-I385 PolarHBondContact O-N 2.96Å; L302-I385 HydrophobicContact CB-CD1 4.2Å; L302-I385 HydrophobicContact CD2-CD1 3.73Å; I330-I385 HydrophobicContact CD1-CG2 4.13Å; S331-I385 WeakPolarHBondContact OG-CA 3.38Å; P333-I385 HydrophobicContact CB-CD1 4.29Å; T335-I385 HydrophobicContact CG2-CD1 4.35Å; T335-I385 HydrophobicContact CG2-CG1 3.69Å; I385-I407 HydrophobicContact CG2-CD1 4.14Å; I385-I407 HydrophobicContact CG2-CG1 4.44Å; I385-I407 HydrophobicContact CG2-CG2 4.22Å
386T98.2Very high95.1Very high0 Ų052.4 Ų52.40%029%0.291CS..  trans-131150-17452.50000112.4I330 S331 Y340 F344 P384 M388 F411I330-T386 CarbonylContact C-O 3.53Å; I330-T386 WeakPolarHBondContact CA-O 3.3Å; S331-T386 PolarHBondContact N-O 3.22Å; S331-T386 PolarHBondContact OG-N 3.36Å; S331-T386 PolarHBondContact OG-OG1 3.03Å; Y340-T386 HydrophobicContact CD1-CG2 4.45Å; Y340-T386 HydrophobicContact CE1-CG2 3.54Å; F344-T386 HydrophobicContact CE1-CG2 4.33Å; F344-T386 HydrophobicContact CZ-CG2 3.95Å; P384-T386 PolarHBondContact O-N 3.2Å; P384-T386 VanDerWaalsContact O-N 3.14Å; T386-M388 PolarHBondContact OG1-SD 3.02Å; T386-F411 HydrophobicContact CG2-CD2 3.85Å; T386-F411 HydrophobicContact CG2-CE2 4.3Å
387P98Very high95.1Very high0 Ų055.1 Ų55.10%030%0.301CS..BIsolated β-bridgetrans-68.4135.4171.128.8-31.5000110.7Y329 V349 L353 F411Y329-P387 CarbonylContact O-C 3.15Å; Y329-P387 WeakPolarHBondContact O-CA 3.41Å; V349-P387 HydrophobicContact CG1-CG 3.67Å; V349-P387 WeakPolarHBondContact CG1-O 3.4Å; L353-P387 HydrophobicContact CD1-CG 4.16Å; L353-P387 HydrophobicContact CD2-CB 4.27Å; L353-P387 HydrophobicContact CD2-CG 4.35Å; P387-F411 HydrophobicContact CG-CB 4.27Å; P387-F411 HydrophobicContact CG-CD1 4.36Å; P387-F411 HydrophobicContact CG-CG 4.32Å
388M96.3Very high95.2Very high50 Ų5057.2 Ų57.225%0.24631%0.305CS..  trans-118.9-19.9-175.9-59.1-56-63.700112.9A153 T155 Y329 T386A153-M388 HydrophobicContact CB-CE 3.84Å; A153-M388 HydrophobicContact CB-CG 3.97Å; A153-M388 HydrophobicContact CB-SD 4.38Å; T155-M388 HydrophobicContact CG2-CB 3.81Å; T155-M388 HydrophobicContact CG2-CE 3.79Å; T155-M388 HydrophobicContact CG2-CG 4.42Å; Y329-M388 PolarHBondContact O-N 3.33Å; T386-M388 PolarHBondContact OG1-SD 3.02Å
389K95.5Very high95.3Very high105 Ų10554.5 Ų54.546%0.45729%0.291SS..SBendtrans-146.2141.6178.1177.1-173.7174.2-170.50108.8G328 Y329 G391 Y404G328-K389 VanDerWaalsContact O-CB 3.26Å; G328-K389 WeakPolarHBondContact O-CB 3.27Å; Y329-K389 HydrophobicContact CD1-CB 4.23Å; Y329-K389 HydrophobicContact CD1-CD 4.28Å; Y329-K389 HydrophobicContact CD1-CG 4.27Å; Y329-K389 WeakPolarHBondContact CD1-O 3.21Å; Y329-K389 HydrophobicContact CE1-CD 4.11Å; Y329-K389 HydrophobicContact CE1-CG 4.29Å; Y329-K389 PolarHBondContact O-N 3.48Å; K389-G391 PolarHBondContact O-N 3.23Å; K389-Y404 PolarHBondContact O-OH 2.93Å
390L97Very high95.7Very high39 Ų3952.7 Ų52.720%0.20428%0.276CS..  trans-68.7122175.3-179.960.4000110.6V352 P355V352-L390 HydrophobicContact CG1-CB 4.17Å; V352-L390 VanDerWaalsContact CG1-N 3.29Å; P355-L390 HydrophobicContact CB-CD2 3.97Å; P355-L390 HydrophobicContact CG-CD2 4.35Å
391G95.7Very high96.1Very high0 Ų049.6 Ų49.60%024%0.243CC..  trans-104.4145.7166.400000112.4K389 Y404K389-G391 PolarHBondContact O-N 3.23Å; G391-Y404 PolarHBondContact N-OH 3.08Å
392N94.5Very high96.5Very high76 Ų7649.1 Ų49.141%0.40624%0.236SC..  trans-102154.3172.7-61.3-70.8000110.2S394 D395 F396N392-S394 PolarHBondContact O-N 3.26Å; N392-S394 VanDerWaalsContact O-N 3.08Å; N392-D395 PolarHBondContact N-OD2 3.13Å; N392-D395 VanDerWaalsContact O-CB 3.29Å; N392-D395 WeakPolarHBondContact O-CB 3.49Å; N392-D395 PolarHBondContact O-N 2.82Å; N392-F396 WeakPolarHBondContact O-CD2 3.44Å; N392-F396 WeakPolarHBondContact O-CE2 3.18Å
393R94.2Very high96.7Very high156 Ų15648.4 Ų48.459%0.58923%0.233SC*.G310 helixtrans-56.2-30.3-179.5-161166.5-164.8168.64.9113.8D395 W401R393-D395 PolarHBondContact O-N 3.48Å; R393-W401 HydrophobicContact CB-CD2 4.01Å; R393-W401 HydrophobicContact CB-CE3 4.13Å; R393-W401 HydrophobicContact CB-CH2 4.2Å; R393-W401 HydrophobicContact CB-CZ2 4.17Å; R393-W401 HydrophobicContact CB-CZ3 4.21Å; R393-W401 HydrophobicContact CG-CD2 3.74Å; R393-W401 HydrophobicContact CG-CE3 4.33Å; R393-W401 HydrophobicContact CG-CG 3.84Å; R393-W401 HydrophobicContact CG-CZ2 4.34Å
394S94.7Very high96.9Very high108 Ų10847 Ų4776%0.75522%0.224SC*.G310 helixtrans-67.9-19.2175.852.30000114.5N392 F396N392-S394 PolarHBondContact O-N 3.26Å; N392-S394 VanDerWaalsContact O-N 3.08Å; S394-F396 PolarHBondContact O-N 3.21Å
395D93.9Very high96.8Very high76 Ų7649.1 Ų49.141%0.40623%0.233SC..G310 helixtrans-78.2-11.8-176.9-55.6-18.1000111.7Y329 N392 R393Y329-D395 PolarHBondContact OH-OD2 3.47Å; N392-D395 PolarHBondContact N-OD2 3.13Å; N392-D395 VanDerWaalsContact O-CB 3.29Å; N392-D395 WeakPolarHBondContact O-CB 3.49Å; N392-D395 PolarHBondContact O-N 2.82Å; R393-D395 PolarHBondContact O-N 3.48Å
396F96Very high96.8Very high28 Ų2849.3 Ų49.312%0.12323%0.234CC..SBendtrans-133.8151.2-162.6-54.4-63.1000113.7L324 Y329 N392 S394 T400 W401 Y404L324-F396 HydrophobicContact CD2-CD1 4.25Å; L324-F396 HydrophobicContact CD2-CE1 3.64Å; L324-F396 HydrophobicContact CD2-CZ 4.11Å; Y329-F396 AromaticContact CD1-CZ 3.92Å; Y329-F396 HydrophobicContact CD1-CZ 3.92Å; Y329-F396 AromaticContact CD2-CE1 3.76Å; Y329-F396 HydrophobicContact CD2-CE1 3.76Å; Y329-F396 AromaticContact CD2-CZ 3.87Å; Y329-F396 HydrophobicContact CD2-CZ 3.87Å; Y329-F396 HydrophobicContact CE1-CE1 4.45Å; Y329-F396 AromaticContact CE1-CZ 3.74Å; Y329-F396 HydrophobicContact CE1-CZ 3.74Å; Y329-F396 AromaticContact CE2-CE1 3.54Å; Y329-F396 HydrophobicContact CE2-CE1 3.54Å; Y329-F396 AromaticContact CE2-CZ 3.68Å; Y329-F396 HydrophobicContact CE2-CZ 3.68Å; Y329-F396 HydrophobicContact CG-CE1 4.31Å; Y329-F396 AromaticContact CG-CZ 3.98Å; Y329-F396 HydrophobicContact CG-CZ 3.98Å; Y329-F396 AromaticContact CZ-CE1 3.89Å; Y329-F396 AromaticContact CZ-CZ 3.6Å; N392-F396 WeakPolarHBondContact O-CD2 3.44Å; N392-F396 WeakPolarHBondContact O-CE2 3.18Å; S394-F396 PolarHBondContact O-N 3.21Å; F396-T400 HydrophobicContact CB-CG2 4.02Å; F396-T400 HydrophobicContact CD1-CG2 3.46Å; F396-T400 VanDerWaalsContact CD1-CG2 3.46Å; F396-T400 HydrophobicContact CE1-CG2 4.2Å; F396-T400 HydrophobicContact CG-CG2 3.97Å; F396-W401 HydrophobicContact CB-CB 4.06Å; F396-W401 AromaticContact CD2-CE3 3.67Å; F396-W401 HydrophobicContact CD2-CE3 3.67Å; F396-W401 HydrophobicContact CD2-CZ3 4.35Å; F396-W401 HydrophobicContact CE2-CE3 4.03Å; F396-W401 HydrophobicContact CE2-CZ3 4.34Å; F396-Y404 HydrophobicContact CE2-CD1 4.08Å; F396-Y404 HydrophobicContact CE2-CG 4.38Å; F396-Y404 HydrophobicContact CZ-CG 4.45Å
397D97Very high96.9Very high79 Ų7949.3 Ų49.342%0.42223%0.234SC..  trans-68166.6159.566.557000111.2R323 D399 T400 W401R323-D397 IonicContact CZ-OD2 3.31Å; R323-D397 IonicContact NH1-OD2 2.66Å; R323-D397 IonicContact NH2-OD2 3.12Å; R323-D397 PolarHBondContact NH2-OD2 2.85Å; D397-D399 PolarHBondContact O-N 3.49Å; D397-D399 PolarHBondContact OD1-N 3.44Å; D397-T400 PolarHBondContact O-N 3.37Å; D397-T400 VanDerWaalsContact OD1-CB 3.32Å; D397-T400 WeakPolarHBondContact OD1-CB 3.27Å; D397-T400 PolarHBondContact OD1-N 2.9Å; D397-T400 PolarHBondContact OD1-OG1 3.02Å; D397-T400 PolarHBondContact OD2-OG1 2.71Å; D397-W401 PolarHBondContact O-N 3.15Å
398R97.1Very high96.9Very high172 Ų17249.3 Ų49.365%0.64923%0.234SC*.Hα-helixtrans-53.1-48.9-174.2178.9179.5177.3-88.14.6113R402R398-R402 VanDerWaalsContact NH1-NH1 3.1Å; R398-R402 WeakPolarHBondContact O-CD 3.3Å; R398-R402 WeakPolarHBondContact O-CG 3.22Å; R398-R402 PolarHBondContact O-N 3.34Å; R398-R402 VanDerWaalsContact O-N 3.15Å
399D97.7Very high97Very high38 Ų3848.2 Ų48.220%0.20323%0.227CC..Hα-helixtrans-77.2-32.4-174.1-73.8-20.1000111.5I312 I320 D397 R402 V403I312-D399 HydrophobicContact CD1-CB 3.87Å; I320-D399 HydrophobicContact CD1-CB 3.98Å; D397-D399 PolarHBondContact O-N 3.49Å; D397-D399 PolarHBondContact OD1-N 3.44Å; D399-R402 PolarHBondContact O-N 2.83Å; D399-R402 IonicContact OD1-CZ 3.01Å; D399-R402 IonicContact OD1-NH1 3Å; D399-R402 PolarHBondContact OD1-NH1 3.33Å; D399-V403 WeakPolarHBondContact O-CG2 3.14Å; D399-V403 PolarHBondContact O-N 2.94Å
400T98.3Very high97.1Very high2 Ų243.5 Ų43.51%0.01221%0.207CC..Hα-helixtrans-63.6-44.8173.6-55.30000112I320 R323 L324 F396 D397 R402 V403 Y404I320-T400 HydrophobicContact CG2-CG2 4.17Å; R323-T400 PolarHBondContact NH2-OG1 2.88Å; L324-T400 HydrophobicContact CD2-CG2 3.78Å; L324-T400 HydrophobicContact CG-CG2 4.15Å; F396-T400 HydrophobicContact CB-CG2 4.02Å; F396-T400 HydrophobicContact CD1-CG2 3.46Å; F396-T400 VanDerWaalsContact CD1-CG2 3.46Å; F396-T400 HydrophobicContact CE1-CG2 4.2Å; F396-T400 HydrophobicContact CG-CG2 3.97Å; D397-T400 PolarHBondContact O-N 3.37Å; D397-T400 VanDerWaalsContact OD1-CB 3.32Å; D397-T400 WeakPolarHBondContact OD1-CB 3.27Å; D397-T400 PolarHBondContact OD1-N 2.9Å; D397-T400 PolarHBondContact OD1-OG1 3.02Å; D397-T400 PolarHBondContact OD2-OG1 2.71Å; T400-R402 VanDerWaalsContact C-N 3.33Å; T400-R402 PolarHBondContact O-N 3.15Å; T400-V403 PolarHBondContact O-N 3.04Å; T400-Y404 WeakPolarHBondContact O-CB 3.46Å; T400-Y404 PolarHBondContact O-N 3.03Å
401W98Very high97.2Very high4 Ų441.7 Ų41.72%0.01520%0.197CC..Hα-helixtrans-58.9-46.2172.8173.1-101.4000111.2D358 F359 R393 F396 D397 V403 Y404 E405D358-W401 HydrophobicContact CB-CH2 4.32Å; D358-W401 HydrophobicContact CB-CZ2 4.2Å; D358-W401 WeakPolarHBondContact OD2-CH2 3.49Å; F359-W401 AromaticContact CE2-CH2 3.97Å; F359-W401 HydrophobicContact CE2-CH2 3.97Å; F359-W401 AromaticContact CZ-CH2 3.87Å; F359-W401 HydrophobicContact CZ-CH2 3.87Å; F359-W401 HydrophobicContact CZ-CZ2 4.05Å; R393-W401 HydrophobicContact CB-CD2 4.01Å; R393-W401 HydrophobicContact CB-CE3 4.13Å; R393-W401 HydrophobicContact CB-CH2 4.2Å; R393-W401 HydrophobicContact CB-CZ2 4.17Å; R393-W401 HydrophobicContact CB-CZ3 4.21Å; R393-W401 HydrophobicContact CG-CD2 3.74Å; R393-W401 HydrophobicContact CG-CE3 4.33Å; R393-W401 HydrophobicContact CG-CG 3.84Å; R393-W401 HydrophobicContact CG-CZ2 4.34Å; F396-W401 HydrophobicContact CB-CB 4.06Å; F396-W401 AromaticContact CD2-CE3 3.67Å; F396-W401 HydrophobicContact CD2-CE3 3.67Å; F396-W401 HydrophobicContact CD2-CZ3 4.35Å; F396-W401 HydrophobicContact CE2-CE3 4.03Å; F396-W401 HydrophobicContact CE2-CZ3 4.34Å; D397-W401 PolarHBondContact O-N 3.15Å; W401-V403 VanDerWaalsContact C-N 3.33Å; W401-V403 PolarHBondContact O-N 3.46Å; W401-Y404 HydrophobicContact CE3-CD1 4.08Å; W401-Y404 AromaticContact CZ3-CD1 3.94Å; W401-Y404 HydrophobicContact CZ3-CD1 3.94Å; W401-Y404 HydrophobicContact CZ3-CE1 4.2Å; W401-Y404 PolarHBondContact O-N 3.16Å; W401-E405 PolarHBondContact NE1-OE2 3.09Å; W401-E405 VanDerWaalsContact O-CB 3.23Å; W401-E405 WeakPolarHBondContact O-CB 3.43Å; W401-E405 PolarHBondContact O-N 2.87Å
402R98Very high97.3Very high54 Ų5441.7 Ų41.720%0.20420%0.197CC..Hα-helixtrans-61.2-39.9-178.2-70.7166.174.6-1450.8112.6L310 R398 D399 T400 F406L310-R402 VanDerWaalsContact CA-NH2 3.34Å; L310-R402 HydrophobicContact CD1-CB 4.32Å; L310-R402 VanDerWaalsContact O-CZ 3.26Å; L310-R402 PolarHBondContact O-NH1 2.66Å; L310-R402 PolarHBondContact O-NH2 2.76Å; R398-R402 VanDerWaalsContact NH1-NH1 3.1Å; R398-R402 WeakPolarHBondContact O-CD 3.3Å; R398-R402 WeakPolarHBondContact O-CG 3.22Å; R398-R402 PolarHBondContact O-N 3.34Å; R398-R402 VanDerWaalsContact O-N 3.15Å; D399-R402 PolarHBondContact O-N 2.83Å; D399-R402 IonicContact OD1-CZ 3.01Å; D399-R402 IonicContact OD1-NH1 3Å; D399-R402 PolarHBondContact OD1-NH1 3.33Å; T400-R402 VanDerWaalsContact C-N 3.33Å; T400-R402 PolarHBondContact O-N 3.15Å; R402-F406 WeakPolarHBondContact O-CB 3.36Å; R402-F406 PolarHBondContact O-N 2.81Å
403V98.5Very high97.5Very high0 Ų038.1 Ų38.10%018%0.178CC..Hα-helixtrans-69.4-45.3175.9175.20000111L302 L310 I312 I320 L324 D399 T400 W401 F406 I407L302-V403 HydrophobicContact CD1-CG1 4.3Å; L310-V403 HydrophobicContact CD1-CG2 4.22Å; I312-V403 HydrophobicContact CD1-CG2 3.75Å; I320-V403 HydrophobicContact CD1-CG2 4.31Å; I320-V403 HydrophobicContact CG2-CB 3.8Å; I320-V403 HydrophobicContact CG2-CG1 4.03Å; I320-V403 HydrophobicContact CG2-CG2 3.95Å; L324-V403 HydrophobicContact CD1-CG1 4.18Å; D399-V403 WeakPolarHBondContact O-CG2 3.14Å; D399-V403 PolarHBondContact O-N 2.94Å; T400-V403 PolarHBondContact O-N 3.04Å; W401-V403 VanDerWaalsContact C-N 3.33Å; W401-V403 PolarHBondContact O-N 3.46Å; V403-F406 WeakPolarHBondContact O-CB 3.41Å; V403-F406 PolarHBondContact O-N 2.95Å; V403-I407 HydrophobicContact CG1-CD1 4.01Å; V403-I407 WeakPolarHBondContact O-CG1 3.3Å; V403-I407 PolarHBondContact O-N 2.96Å
404Y98.6Very high97.7Very high0 Ų030.7 Ų30.70%015%0.15CC..Hα-helixtrans-62.8-43.6177.3175.4-101000112.4L324 Y329 I330 F359 K389 G391 F396 T400 W401 F406 I407 C408L324-Y404 HydrophobicContact CD2-CD2 4.22Å; L324-Y404 HydrophobicContact CD2-CG 4.43Å; Y329-Y404 HydrophobicContact CD1-CE2 4.27Å; Y329-Y404 HydrophobicContact CG-CE2 4.48Å; I330-Y404 HydrophobicContact CG2-CD2 4.18Å; I330-Y404 HydrophobicContact CG2-CE2 4.48Å; F359-Y404 HydrophobicContact CE2-CE1 4.21Å; K389-Y404 PolarHBondContact O-OH 2.93Å; G391-Y404 PolarHBondContact N-OH 3.08Å; F396-Y404 HydrophobicContact CE2-CD1 4.08Å; F396-Y404 HydrophobicContact CE2-CG 4.38Å; F396-Y404 HydrophobicContact CZ-CG 4.45Å; T400-Y404 WeakPolarHBondContact O-CB 3.46Å; T400-Y404 PolarHBondContact O-N 3.03Å; W401-Y404 HydrophobicContact CE3-CD1 4.08Å; W401-Y404 AromaticContact CZ3-CD1 3.94Å; W401-Y404 HydrophobicContact CZ3-CD1 3.94Å; W401-Y404 HydrophobicContact CZ3-CE1 4.2Å; W401-Y404 PolarHBondContact O-N 3.16Å; Y404-F406 VanDerWaalsContact C-N 3.34Å; Y404-F406 PolarHBondContact O-N 3.11Å; Y404-I407 PolarHBondContact O-N 3.32Å; Y404-C408 VanDerWaalsContact CE1-SG 3.52Å; Y404-C408 PolarHBondContact O-N 3.4Å; Y404-C408 PolarHBondContact O-SG 3.25Å
405E98Very high97.9Very high44 Ų4425.5 Ų25.521%0.20611%0.114CC..Hα-helixtrans-59.1-45174.5169.7168.5-159.400111.1F359 W401 I407 C408 R409F359-E405 HydrophobicContact CE1-CG 3.99Å; F359-E405 HydrophobicContact CZ-CB 4.17Å; F359-E405 HydrophobicContact CZ-CG 4.14Å; W401-E405 PolarHBondContact NE1-OE2 3.09Å; W401-E405 VanDerWaalsContact O-CB 3.23Å; W401-E405 WeakPolarHBondContact O-CB 3.43Å; W401-E405 PolarHBondContact O-N 2.87Å; E405-I407 PolarHBondContact O-N 2.83Å; E405-C408 PolarHBondContact O-N 2.91Å; E405-R409 HydrophobicContact CG-CG 4.37Å; E405-R409 WeakPolarHBondContact O-CB 3.35Å; E405-R409 WeakPolarHBondContact O-CG 3.34Å; E405-R409 PolarHBondContact O-N 3.16Å; E405-R409 IonicContact OE1-CZ 3.93Å; E405-R409 IonicContact OE1-NE 2.71Å; E405-R409 PolarHBondContact OE1-NE 3.44Å; E405-R409 IonicContact OE1-NH2 2.96Å
406F98.3Very high98.1Very high5 Ų522.4 Ų22.42%0.02210%0.098CC..Hα-helixtrans-57.9-48.8174.7166.3-105.7000111.5L297 L302 I305 L310 R402 V403 Y404 C408 R409 H410 W453L297-F406 HydrophobicContact CD1-CE1 3.91Å; L297-F406 HydrophobicContact CD1-CZ 3.98Å; L297-F406 HydrophobicContact CD2-CE1 3.83Å; L297-F406 HydrophobicContact CD2-CZ 4.5Å; L302-F406 HydrophobicContact CD1-CD1 3.88Å; L302-F406 HydrophobicContact CD1-CE1 3.79Å; I305-F406 HydrophobicContact CB-CE1 4.28Å; I305-F406 HydrophobicContact CB-CE2 4.03Å; I305-F406 HydrophobicContact CB-CZ 3.74Å; I305-F406 HydrophobicContact CG1-CE2 4.31Å; I305-F406 HydrophobicContact CG1-CZ 3.98Å; I305-F406 HydrophobicContact CG2-CD2 3.83Å; I305-F406 HydrophobicContact CG2-CE1 4.28Å; I305-F406 HydrophobicContact CG2-CE2 3.38Å; I305-F406 HydrophobicContact CG2-CG 4.47Å; I305-F406 HydrophobicContact CG2-CZ 3.63Å; L310-F406 HydrophobicContact CD1-CB 4.29Å; R402-F406 WeakPolarHBondContact O-CB 3.36Å; R402-F406 PolarHBondContact O-N 2.81Å; V403-F406 WeakPolarHBondContact O-CB 3.41Å; V403-F406 PolarHBondContact O-N 2.95Å; Y404-F406 VanDerWaalsContact C-N 3.34Å; Y404-F406 PolarHBondContact O-N 3.11Å; F406-C408 VanDerWaalsContact C-N 3.33Å; F406-C408 PolarHBondContact O-N 2.8Å; F406-R409 PolarHBondContact O-N 2.89Å; F406-H410 HydrophobicContact CE2-CB 4.1Å; F406-H410 AromaticContact CE2-ND1 3.8Å; F406-H410 HydrophobicContact CZ-CB 4.15Å; F406-H410 AromaticContact CZ-ND1 3.64Å; F406-H410 WeakPolarHBondContact O-CB 3.42Å; F406-H410 PolarHBondContact O-N 3.06Å; F406-W453 HydrophobicContact CD2-CH2 4.06Å; F406-W453 AromaticContact CD2-CZ2 3.68Å; F406-W453 HydrophobicContact CD2-CZ2 3.68Å; F406-W453 HydrophobicContact CE2-CZ2 4.01Å
407I98.7Very high98.1Very high0 Ų026.8 Ų26.80%011%0.114CC..Hα-helixtrans-59.5-44.3179.4-66.7166.3000110.8L297 L302 L324 I330 I385 V403 Y404 E405 F411L297-I407 HydrophobicContact CD2-CG1 3.91Å; L302-I407 HydrophobicContact CD1-CD1 4.36Å; L302-I407 HydrophobicContact CD1-CG1 4.18Å; L324-I407 HydrophobicContact CD1-CD1 4.48Å; I330-I407 HydrophobicContact CD1-CD1 3.84Å; I330-I407 HydrophobicContact CG2-CD1 4.01Å; I330-I407 HydrophobicContact CG2-CG2 4.05Å; I385-I407 HydrophobicContact CG2-CD1 4.14Å; I385-I407 HydrophobicContact CG2-CG1 4.44Å; I385-I407 HydrophobicContact CG2-CG2 4.22Å; V403-I407 HydrophobicContact CG1-CD1 4.01Å; V403-I407 WeakPolarHBondContact O-CG1 3.3Å; V403-I407 PolarHBondContact O-N 2.96Å; Y404-I407 PolarHBondContact O-N 3.32Å; E405-I407 PolarHBondContact O-N 2.83Å; I407-F411 WeakPolarHBondContact O-CB 3.15Å; I407-F411 PolarHBondContact O-N 3.39Å
408C98.4Very high98.2Very high0 Ų025.1 Ų25.10%011%0.105CC..Hα-helixtrans-61.3-49.9176.9-65.60000112.4L353 F359 Y404 E405 F406 F411 M412L353-C408 HydrophobicContact CD1-CB 4.37Å; L353-C408 HydrophobicContact CD2-CB 4.42Å; F359-C408 HydrophobicContact CD2-CB 4.4Å; F359-C408 HydrophobicContact CE1-CB 4.35Å; F359-C408 HydrophobicContact CE2-CB 4.15Å; F359-C408 HydrophobicContact CZ-CB 4.13Å; Y404-C408 VanDerWaalsContact CE1-SG 3.52Å; Y404-C408 PolarHBondContact O-N 3.4Å; Y404-C408 PolarHBondContact O-SG 3.25Å; E405-C408 PolarHBondContact O-N 2.91Å; F406-C408 VanDerWaalsContact C-N 3.33Å; F406-C408 PolarHBondContact O-N 2.8Å; C408-F411 PolarHBondContact O-N 2.62Å; C408-M412 WeakPolarHBondContact O-CG 3.36Å; C408-M412 PolarHBondContact O-N 3.33Å
409R98.3Very high98.2Very high27 Ų2717 Ų1710%0.1027%0.074CC..Hα-helixtrans-67.4-36.4-179.4-72.5-177.1177.5-67.5-11.2112.2D358 F359 E362 E405 F406 M412 G413 V450 M451 W453D358-R409 PolarHBondContact O-NH2 3.07Å; F359-R409 HydrophobicContact CD1-CG 4.42Å; F359-R409 HydrophobicContact CE1-CG 4.2Å; E362-R409 IonicContact OE1-NH1 3.22Å; E405-R409 HydrophobicContact CG-CG 4.37Å; E405-R409 WeakPolarHBondContact O-CB 3.35Å; E405-R409 WeakPolarHBondContact O-CG 3.34Å; E405-R409 PolarHBondContact O-N 3.16Å; E405-R409 IonicContact OE1-CZ 3.93Å; E405-R409 IonicContact OE1-NE 2.71Å; E405-R409 PolarHBondContact OE1-NE 3.44Å; E405-R409 IonicContact OE1-NH2 2.96Å; F406-R409 PolarHBondContact O-N 2.89Å; R409-M412 HydrophobicContact CG-CE 4.26Å; R409-G413 PolarHBondContact O-N 2.6Å; R409-V450 HydrophobicContact CB-CG2 4Å; R409-V450 WeakPolarHBondContact CD-O 3.21Å; R409-V450 HydrophobicContact CG-CG2 3.94Å; R409-V450 PolarHBondContact NH1-O 3.3Å; R409-M451 WeakPolarHBondContact O-CG 3.49Å; R409-W453 HydrophobicContact CB-CH2 3.74Å; R409-W453 HydrophobicContact CB-CZ3 4.43Å; R409-W453 HydrophobicContact CG-CH2 4.47Å
410H98.5Very high98.3Very high6 Ų617.5 Ų17.53%0.0288%0.075CC..Hα-helixtrans-64.9-47.8175-167.499.4000110.9Q295 F406 M412 G413 T414 M451Q295-H410 PolarHBondContact O-NE2 2.92Å; F406-H410 HydrophobicContact CE2-CB 4.1Å; F406-H410 AromaticContact CE2-ND1 3.8Å; F406-H410 HydrophobicContact CZ-CB 4.15Å; F406-H410 AromaticContact CZ-ND1 3.64Å; F406-H410 WeakPolarHBondContact O-CB 3.42Å; F406-H410 PolarHBondContact O-N 3.06Å; H410-M412 PolarHBondContact O-N 3.01Å; H410-G413 WeakPolarHBondContact O-CA 3.34Å; H410-G413 PolarHBondContact O-N 2.95Å; H410-G413 VanDerWaalsContact O-N 3.1Å; H410-T414 WeakPolarHBondContact O-CG2 3.18Å; H410-T414 PolarHBondContact O-N 2.92Å; H410-M451 HydrophobicContact CB-CE 4.46Å
411F98.6Very high98.3Very high1 Ų120 Ų200%0.0048%0.084CC..Hα-helixtrans-54-53.4174.2170.5-96.8000111.2Y340 L346 V349 L350 L353 T386 P387 I407 C408 G413 T414 V415Y340-F411 HydrophobicContact CE1-CD2 4.36Å; Y340-F411 HydrophobicContact CE1-CE2 4.33Å; Y340-F411 VanDerWaalsContact OH-CD2 3.27Å; Y340-F411 WeakPolarHBondContact OH-CD2 3.48Å; L346-F411 HydrophobicContact CD2-CE2 3.98Å; L346-F411 HydrophobicContact CD2-CZ 4.33Å; V349-F411 HydrophobicContact CB-CD1 4.47Å; V349-F411 HydrophobicContact CB-CE1 3.66Å; V349-F411 HydrophobicContact CB-CE2 4.05Å; V349-F411 HydrophobicContact CB-CZ 3.43Å; V349-F411 VanDerWaalsContact CB-CZ 3.43Å; V349-F411 HydrophobicContact CG1-CD1 3.63Å; V349-F411 HydrophobicContact CG1-CD2 4.14Å; V349-F411 HydrophobicContact CG1-CE1 3.29Å; V349-F411 HydrophobicContact CG1-CE2 3.86Å; V349-F411 HydrophobicContact CG1-CG 4.06Å; V349-F411 HydrophobicContact CG1-CZ 3.44Å; V349-F411 VanDerWaalsContact CG1-CZ 3.44Å; V349-F411 HydrophobicContact CG2-CE2 4.36Å; V349-F411 HydrophobicContact CG2-CZ 4.16Å; L350-F411 HydrophobicContact CD2-CD1 4.41Å; L350-F411 HydrophobicContact CD2-CE1 3.77Å; L350-F411 HydrophobicContact CG-CE1 3.92Å; L353-F411 HydrophobicContact CD1-CD1 4.45Å; T386-F411 HydrophobicContact CG2-CD2 3.85Å; T386-F411 HydrophobicContact CG2-CE2 4.3Å; P387-F411 HydrophobicContact CG-CB 4.27Å; P387-F411 HydrophobicContact CG-CD1 4.36Å; P387-F411 HydrophobicContact CG-CG 4.32Å; I407-F411 WeakPolarHBondContact O-CB 3.15Å; I407-F411 PolarHBondContact O-N 3.39Å; C408-F411 PolarHBondContact O-N 2.62Å; F411-G413 PolarHBondContact O-N 3.28Å; F411-T414 PolarHBondContact O-N 3.5Å; F411-T414 PolarHBondContact O-OG1 3.32Å; F411-V415 HydrophobicContact CE1-CG2 4.34Å; F411-V415 HydrophobicContact CZ-CG1 4.4Å; F411-V415 HydrophobicContact CZ-CG2 4.48Å; F411-V415 PolarHBondContact O-N 3.37Å
412M98.4Very high98.3Very high0 Ų024.5 Ų24.50%010%0.101CC..Hα-helixtrans-57-38177.4-75.6-169.2-75.400112.4L350 L353 F359 E362 A363 I366 C408 R409 H410 T414 V415 S416 V450L350-M412 HydrophobicContact CD2-CG 3.97Å; L353-M412 HydrophobicContact CD1-CE 4.4Å; L353-M412 HydrophobicContact CD1-CG 4Å; L353-M412 HydrophobicContact CD1-SD 4.2Å; F359-M412 HydrophobicContact CB-CE 3.78Å; F359-M412 HydrophobicContact CB-SD 4.4Å; F359-M412 HydrophobicContact CD1-CE 3.82Å; F359-M412 HydrophobicContact CG-CE 4.01Å; E362-M412 HydrophobicContact CB-SD 4.23Å; A363-M412 HydrophobicContact CB-SD 4.19Å; I366-M412 HydrophobicContact CD1-CB 3.71Å; I366-M412 HydrophobicContact CD1-CG 4.09Å; I366-M412 HydrophobicContact CD1-SD 4.28Å; C408-M412 WeakPolarHBondContact O-CG 3.36Å; C408-M412 PolarHBondContact O-N 3.33Å; R409-M412 HydrophobicContact CG-CE 4.26Å; H410-M412 PolarHBondContact O-N 3.01Å; M412-T414 VanDerWaalsContact C-N 3.35Å; M412-T414 PolarHBondContact O-N 2.93Å; M412-V415 WeakPolarHBondContact O-CG2 3.2Å; M412-V415 PolarHBondContact O-N 3.47Å; M412-S416 PolarHBondContact O-N 2.89Å; M412-S416 PolarHBondContact O-OG 2.77Å; M412-V450 HydrophobicContact CB-CB 4.49Å; M412-V450 HydrophobicContact CB-CG1 4.18Å; M412-V450 HydrophobicContact CB-CG2 3.74Å; M412-V450 HydrophobicContact CE-CG2 3.55Å; M412-V450 HydrophobicContact SD-CG2 4.13Å
413G98.2Very high98.2Very high0 Ų022.7 Ų22.70%010%0.096CC..Hα-helixtrans-61.7-39174.200000113.3R409 H410 F411 V415 S416R409-G413 PolarHBondContact O-N 2.6Å; H410-G413 WeakPolarHBondContact O-CA 3.34Å; H410-G413 PolarHBondContact O-N 2.95Å; H410-G413 VanDerWaalsContact O-N 3.1Å; F411-G413 PolarHBondContact O-N 3.28Å; G413-V415 VanDerWaalsContact C-N 3.25Å; G413-V415 PolarHBondContact O-N 2.98Å; G413-S416 PolarHBondContact O-N 3.27Å
414T98.5Very high98.2Very high0 Ų023.2 Ų23.20%010%0.099CC..Hα-helixtrans-66.7-23.8-179.166.70000114.1K293 P294 Q295 Y340 P373 H410 F411 M412K293-T414 WeakPolarHBondContact CD-O 3.2Å; P294-T414 HydrophobicContact CG-CG2 4.07Å; Q295-T414 WeakPolarHBondContact O-CG2 3.23Å; Y340-T414 PolarHBondContact OH-OG1 3.37Å; P373-T414 WeakPolarHBondContact CA-O 3.35Å; H410-T414 WeakPolarHBondContact O-CG2 3.18Å; H410-T414 PolarHBondContact O-N 2.92Å; F411-T414 PolarHBondContact O-N 3.5Å; F411-T414 PolarHBondContact O-OG1 3.32Å; M412-T414 VanDerWaalsContact C-N 3.35Å; M412-T414 PolarHBondContact O-N 2.93Å
415V98.1Very high98.1Very high0 Ų024.9 Ų24.90%011%0.11CC..THydrogen-bonded Turntrans-106.87.1178.9-680000113.2L346 L350 I366 I370 Q371 P373 F411 M412 G413L346-V415 HydrophobicContact CB-CG1 4.41Å; L346-V415 HydrophobicContact CD1-CG1 4.19Å; L346-V415 HydrophobicContact CD2-CG1 4.06Å; L346-V415 HydrophobicContact CG-CG1 4.46Å; L350-V415 HydrophobicContact CD1-CG2 4.37Å; L350-V415 HydrophobicContact CD2-CG2 4.29Å; I366-V415 HydrophobicContact CG2-CB 4.43Å; I366-V415 HydrophobicContact CG2-CG2 3.76Å; I370-V415 HydrophobicContact CD1-CB 4.39Å; I370-V415 HydrophobicContact CD1-CG1 4.4Å; I370-V415 HydrophobicContact CG1-CB 3.91Å; I370-V415 HydrophobicContact CG1-CG1 4.35Å; Q371-V415 WeakPolarHBondContact CB-O 3.24Å; Q371-V415 PolarHBondContact N-O 3.08Å; P373-V415 HydrophobicContact CG-CG1 3.96Å; F411-V415 HydrophobicContact CE1-CG2 4.34Å; F411-V415 HydrophobicContact CZ-CG1 4.4Å; F411-V415 HydrophobicContact CZ-CG2 4.48Å; F411-V415 PolarHBondContact O-N 3.37Å; M412-V415 WeakPolarHBondContact O-CG2 3.2Å; M412-V415 PolarHBondContact O-N 3.47Å; G413-V415 VanDerWaalsContact C-N 3.25Å; G413-V415 PolarHBondContact O-N 2.98Å
416S98.1Very high98.1Very high10 Ų1022.8 Ų22.87%0.0710%0.1CC..SBendtrans-89.1176.1175.5-68.50000112.2K293 I366 Q371 M412 G413K293-S416 WeakPolarHBondContact CD-O 3.29Å; I366-S416 WeakPolarHBondContact CD1-OG 3.21Å; Q371-S416 WeakPolarHBondContact CB-O 3.35Å; Q371-S416 WeakPolarHBondContact CG-O 3.47Å; M412-S416 PolarHBondContact O-N 2.89Å; M412-S416 PolarHBondContact O-OG 2.77Å; G413-S416 PolarHBondContact O-N 3.27Å
417R97.6Very high98.1Very high121 Ų12127.2 Ų27.246%0.45712%0.119SC..PPolyproline II helixtrans-72155.3168.9-66.9-175.5-178.3-147.7-4.1111.9D369 Q371 G446 F447D369-R417 IonicContact OD1-CZ 2.61Å; D369-R417 IonicContact OD1-NH2 3.67Å; D369-R417 PolarHBondContact OD1-NH2 2.79Å; D369-R417 IonicContact OD2-CZ 3.37Å; D369-R417 IonicContact OD2-NE 2.68Å; D369-R417 PolarHBondContact OD2-NE 2.74Å; D369-R417 IonicContact OD2-NH2 3.66Å; D369-R417 PolarHBondContact OD2-NH2 3.49Å; Q371-R417 HydrophobicContact CG-CB 4.44Å; Q371-R417 HydrophobicContact CG-CG 3.71Å; R417-G446 CarbonylContact O-C 3.59Å; R417-G446 WeakPolarHBondContact O-CA 3.29Å; R417-F447 PolarHBondContact O-N 2.78Å
418D98.1Very high98.1Very high44 Ų4427.2 Ų27.224%0.23512%0.119CC..PPolyproline II helixtrans-65.5149.6167.4-69.5-0.1000109.6Y290 K293Y290-D418 HydrophobicContact CD1-CB 4.46Å; K293-D418 WeakPolarHBondContact CB-OD1 3.29Å; K293-D418 VanDerWaalsContact CG-OD1 3.24Å; K293-D418 WeakPolarHBondContact CG-OD1 3.35Å; K293-D418 PolarHBondContact N-OD1 3.13Å; K293-D418 IonicContact NZ-OD1 2.8Å; K293-D418 PolarHBondContact NZ-OD1 3.02Å
419L98Very high98Very high1 Ų128 Ų281%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-69.8136.6171.8170.9156.9000108.7Y290 K291 Y421 L442 D444 A445 F447 T448 F456Y290-L419 CarbonylContact C-O 3.59Å; Y290-L419 WeakPolarHBondContact CA-O 3.42Å; K291-L419 HydrophobicContact CB-CB 4.14Å; K291-L419 HydrophobicContact CB-CD2 3.88Å; K291-L419 PolarHBondContact N-O 3.01Å; K291-L419 PolarHBondContact O-N 2.97Å; L419-Y421 HydrophobicContact CD2-CD1 3.48Å; L419-Y421 VanDerWaalsContact CD2-CD1 3.48Å; L419-Y421 HydrophobicContact CD2-CE1 4.13Å; L419-Y421 HydrophobicContact CD2-CG 4.28Å; L419-L442 HydrophobicContact CD1-CD1 4.27Å; L419-L442 HydrophobicContact CD2-CD1 4.48Å; L419-L442 HydrophobicContact CG-CD1 4.16Å; L419-D444 CarbonylContact C-O 3.5Å; L419-D444 WeakPolarHBondContact CA-O 3.45Å; L419-A445 WeakPolarHBondContact CB-O 3.45Å; L419-F447 HydrophobicContact CB-CD1 4.4Å; L419-F447 HydrophobicContact CB-CE1 4.22Å; L419-T448 HydrophobicContact CB-CG2 4.23Å; L419-T448 HydrophobicContact CD1-CG2 3.54Å; L419-F456 HydrophobicContact CD1-CB 4.03Å; L419-F456 HydrophobicContact CD1-CD2 4.24Å; L419-F456 HydrophobicContact CD2-CD2 3.94Å; L419-F456 HydrophobicContact CD2-CE2 4.46Å
420K98.4Very high98Very high48 Ų4826.9 Ų26.921%0.20912%0.121CC..EExtended strand (participates in β ladder)trans-120.9130.8-178.7-171.8-178.2-177.7-176.70110.2E288 Y290 I443 D444E288-K420 WeakPolarHBondContact OE1-CE 3.48Å; E288-K420 IonicContact OE1-NZ 2.78Å; E288-K420 PolarHBondContact OE1-NZ 3.49Å; E288-K420 WeakPolarHBondContact OE2-CE 3.47Å; E288-K420 IonicContact OE2-NZ 3.93Å; E288-K420 PolarHBondContact OE2-NZ 2.65Å; Y290-K420 HydrophobicContact CD1-CB 3.98Å; Y290-K420 HydrophobicContact CD1-CG 4Å; Y290-K420 HydrophobicContact CE1-CB 3.86Å; Y290-K420 HydrophobicContact CE1-CD 3.75Å; Y290-K420 HydrophobicContact CE1-CG 3.52Å; Y290-K420 WeakPolarHBondContact OH-CE 3.37Å; K420-I443 HydrophobicContact CB-CB 4.44Å; K420-I443 HydrophobicContact CD-CB 4.43Å; K420-I443 HydrophobicContact CD-CD1 4.46Å; K420-I443 HydrophobicContact CD-CG2 4.16Å; K420-I443 HydrophobicContact CG-CB 4.19Å; K420-I443 HydrophobicContact CG-CD1 4.24Å; K420-I443 HydrophobicContact CG-CG2 4.47Å; K420-I443 WeakPolarHBondContact O-CA 3.47Å; K420-I443 WeakPolarHBondContact O-CB 3.39Å; K420-I443 PolarHBondContact O-N 2.91Å; K420-D444 HydrophobicContact CB-CB 4.16Å; K420-D444 PolarHBondContact N-O 2.98Å; K420-D444 PolarHBondContact O-N 3.44Å
421Y97.9Very high97.8Very high55 Ų5528.7 Ų28.722%0.21614%0.142CC..EExtended strand (participates in β ladder)trans-142.3157.2179.763.2-72.8000110.8E288 A289 L419 V423 V441 F456E288-Y421 CarbonylContact C-O 3.59Å; E288-Y421 WeakPolarHBondContact CA-O 3.16Å; A289-Y421 HydrophobicContact CB-CD1 4.19Å; A289-Y421 HydrophobicContact CB-CD2 4.21Å; A289-Y421 HydrophobicContact CB-CE1 3.72Å; A289-Y421 HydrophobicContact CB-CE2 3.74Å; A289-Y421 HydrophobicContact CB-CG 4.43Å; A289-Y421 VanDerWaalsContact CB-CZ 3.45Å; A289-Y421 PolarHBondContact N-O 3.04Å; A289-Y421 VanDerWaalsContact O-CD1 3.24Å; A289-Y421 WeakPolarHBondContact O-CD1 3.3Å; A289-Y421 PolarHBondContact O-N 3.43Å; A289-Y421 VanDerWaalsContact O-O 3.1Å; L419-Y421 HydrophobicContact CD2-CD1 3.48Å; L419-Y421 VanDerWaalsContact CD2-CD1 3.48Å; L419-Y421 HydrophobicContact CD2-CE1 4.13Å; L419-Y421 HydrophobicContact CD2-CG 4.28Å; Y421-V423 HydrophobicContact CD2-CG2 3.51Å; Y421-V423 HydrophobicContact CE2-CG2 3.22Å; Y421-V441 CarbonylContact C-O 3.17Å; Y421-V441 VanDerWaalsContact CA-O 3.32Å; Y421-V441 WeakPolarHBondContact CA-O 3.37Å; Y421-V441 WeakPolarHBondContact CB-O 3.36Å; Y421-F456 HydrophobicContact CD1-CE2 4.13Å; Y421-F456 AromaticContact CD2-CE2 3.67Å; Y421-F456 HydrophobicContact CD2-CE2 3.67Å; Y421-F456 AromaticContact CD2-CZ 3.88Å; Y421-F456 HydrophobicContact CD2-CZ 3.88Å; Y421-F456 HydrophobicContact CE2-CE2 4.3Å; Y421-F456 HydrophobicContact CG-CD2 4.46Å; Y421-F456 AromaticContact CG-CE2 3.57Å; Y421-F456 HydrophobicContact CG-CE2 3.57Å; Y421-F456 HydrophobicContact CG-CZ 4.02Å
422R98Very high97.6Very high98 Ų9835.5 Ų35.537%0.3718%0.175SC..EExtended strand (participates in β ladder)trans-97.2132173.4-166.8169.9-66.4116.22.8108.9S286 S440 V441 I443S286-R422 VanDerWaalsContact OG-CD 3.29Å; S286-R422 WeakPolarHBondContact OG-CD 2.89Å; S286-R422 VanDerWaalsContact OG-CG 3.22Å; S286-R422 WeakPolarHBondContact OG-CG 3.33Å; R422-S440 CarbonylContact O-C 3.57Å; R422-S440 VanDerWaalsContact O-CA 3.26Å; R422-S440 WeakPolarHBondContact O-CA 3.24Å; R422-V441 PolarHBondContact N-O 2.89Å; R422-V441 PolarHBondContact O-N 3.25Å; R422-I443 HydrophobicContact CB-CD1 4.01Å; R422-I443 HydrophobicContact CB-CG1 4.28Å
423V97.5Very high97.5Very high17 Ų1735.8 Ų35.810%0.10318%0.176CC..EExtended strand (participates in β ladder)trans-113.8120.7172.4-177.30000108.3S286 K287 A289 Y421 T438S286-V423 WeakPolarHBondContact CA-O 3.19Å; K287-V423 PolarHBondContact N-O 3.23Å; K287-V423 PolarHBondContact O-N 3.34Å; A289-V423 HydrophobicContact CB-CG2 3.85Å; Y421-V423 HydrophobicContact CD2-CG2 3.51Å; Y421-V423 HydrophobicContact CE2-CG2 3.22Å; V423-T438 HydrophobicContact CG1-CG2 3.4Å; V423-T438 VanDerWaalsContact CG1-CG2 3.4Å
424T97.7Very high97.5Very high10 Ų1038 Ų386%0.06119%0.19CC..EExtended strand (participates in β ladder)trans-111.9119.4174.2-58.60000108.9V284 A285 S286 T438 A439 Q462 P463V284-T424 HydrophobicContact CG1-CG2 4.05Å; A285-T424 CarbonylContact O-C 3.29Å; A285-T424 WeakPolarHBondContact O-CA 3.4Å; S286-T424 PolarHBondContact OG-OG1 3.4Å; T424-T438 CarbonylContact O-C 3.57Å; T424-T438 WeakPolarHBondContact O-CA 3.48Å; T424-A439 PolarHBondContact N-O 3.22Å; T424-A439 PolarHBondContact O-N 3.3Å; T424-Q462 PolarHBondContact OG1-OE1 3.47Å; T424-P463 HydrophobicContact CG2-CG 4.3Å
425T97.4Very high97.5Very high35 Ų3538 Ų3822%0.21519%0.19CC..EExtended strand (participates in β ladder)trans-113.9122.3176.4-58.70000109.3A285 K427 C437 T438A285-T425 PolarHBondContact N-O 2.97Å; A285-T425 PolarHBondContact O-N 3.03Å; T425-K427 HydrophobicContact CG2-CG 4.39Å; T425-C437 WeakPolarHBondContact CA-O 3.39Å; T425-T438 PolarHBondContact OG1-OG1 3.01Å
426A97.6Very high97.4Very high0 Ų039.2 Ų39.20%020%0.199CC..EExtended strand (participates in β ladder)trans-100.7131.7169.200000109.3S283 V284 L428 S436 C437 P463 F465S283-A426 CarbonylContact O-C 3.5Å; S283-A426 WeakPolarHBondContact O-CA 3.41Å; V284-A426 HydrophobicContact CG2-CB 4.15Å; A426-L428 HydrophobicContact CB-CD1 4.11Å; A426-S436 WeakPolarHBondContact O-CA 3.32Å; A426-S436 WeakPolarHBondContact O-CB 3.4Å; A426-C437 PolarHBondContact N-O 3.35Å; A426-C437 PolarHBondContact O-N 2.73Å; A426-C437 VanDerWaalsContact O-N 3.08Å; A426-P463 HydrophobicContact CB-CB 3.88Å; A426-P463 HydrophobicContact CB-CG 4.23Å; A426-F465 HydrophobicContact CB-CB 4.35Å; A426-F465 HydrophobicContact CB-CD2 3.71Å
427K97.9Very high97.3Very high98 Ų9839.5 Ų39.543%0.42620%0.2SC..EExtended strand (participates in β ladder)trans-113130.4174.3-65.7-175.8177.9-179.50109.7E282 S283 T425 T434 F435E282-K427 PolarHBondContact N-O 2.63Å; S283-K427 PolarHBondContact N-O 3.09Å; S283-K427 PolarHBondContact O-N 3.06Å; T425-K427 HydrophobicContact CG2-CG 4.39Å; K427-T434 HydrophobicContact CB-CG2 4.45Å; K427-F435 CarbonylContact C-O 3.5Å; K427-F435 WeakPolarHBondContact CA-O 3.16Å
428L98.2Very high97.2Very high0 Ų037.2 Ų37.20%020%0.2CC..EExtended strand (participates in β ladder)trans-123136.5-179.5-72.773.4000109.2L253 A279 T280 V281 A426 T434 F435 F465 V471L253-L428 HydrophobicContact CD1-CD2 3.98Å; L253-L428 HydrophobicContact CD2-CD1 3.83Å; L253-L428 HydrophobicContact CD2-CD2 4.38Å; A279-L428 HydrophobicContact CB-CB 4.23Å; A279-L428 HydrophobicContact CB-CD2 3.97Å; T280-L428 CarbonylContact O-C 3.58Å; T280-L428 WeakPolarHBondContact O-CA 3.35Å; V281-L428 HydrophobicContact CG2-CD2 4.37Å; V281-L428 HydrophobicContact CG2-CG 4.15Å; A426-L428 HydrophobicContact CB-CD1 4.11Å; L428-T434 WeakPolarHBondContact O-CA 3.42Å; L428-F435 PolarHBondContact N-O 3.21Å; L428-F435 PolarHBondContact O-N 2.6Å; L428-F465 HydrophobicContact CD1-CD2 3.82Å; L428-F465 HydrophobicContact CD1-CE2 3.96Å; L428-F465 HydrophobicContact CD1-CG 4.33Å; L428-F465 HydrophobicContact CD2-CD1 4.49Å; L428-F465 HydrophobicContact CD2-CE1 4.18Å; L428-F465 HydrophobicContact CD2-CE2 4.24Å; L428-F465 HydrophobicContact CD2-CZ 4.04Å; L428-V471 HydrophobicContact CD2-CG2 3.56Å
429S97.8Very high97.2Very high18 Ų1835.2 Ų35.213%0.12619%0.19CC..EExtended strand (participates in β ladder)trans-104141.3171.4500000112.5A279 T280 E282 E433A279-S429 CarbonylContact C-O 3.57Å; A279-S429 WeakPolarHBondContact CA-O 3.44Å; T280-S429 PolarHBondContact N-O 2.8Å; T280-S429 PolarHBondContact O-N 3.37Å; E282-S429 VanDerWaalsContact CD-CB 3.46Å; E282-S429 VanDerWaalsContact CD-OG 3.24Å; E282-S429 VanDerWaalsContact CG-OG 3.24Å; E282-S429 WeakPolarHBondContact CG-OG 3.43Å; E282-S429 WeakPolarHBondContact OE1-CB 3.49Å; E282-S429 PolarHBondContact OE1-OG 2.92Å; S429-E433 WeakPolarHBondContact CA-O 3.46Å
430V97.6Very high97.1Very high2 Ų236.2 Ų36.21%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-131102.2172.5-1710000107.7L244 V273 H276 A279 M432 E433 F435 I473L244-V430 HydrophobicContact CD2-CG2 3.8Å; V273-V430 HydrophobicContact CG1-CB 4.23Å; V273-V430 HydrophobicContact CG1-CG1 3.8Å; H276-V430 HydrophobicContact CB-CG1 3.46Å; H276-V430 VanDerWaalsContact CB-CG1 3.46Å; A279-V430 HydrophobicContact CB-CG2 3.57Å; V430-M432 PolarHBondContact O-N 2.62Å; V430-E433 PolarHBondContact N-O 2.84Å; V430-E433 PolarHBondContact O-N 3.03Å; V430-F435 HydrophobicContact CB-CE2 4.28Å; V430-F435 HydrophobicContact CG2-CD2 4.14Å; V430-F435 HydrophobicContact CG2-CE2 4.23Å; V430-I473 HydrophobicContact CB-CD1 4.41Å; V430-I473 HydrophobicContact CG1-CD1 3.59Å; V430-I473 HydrophobicContact CG2-CD1 3.84Å
431G93.9Very high97.1Very high45 Ų4535.4 Ų35.446%0.46420%0.195SC..THydrogen-bonded Turntrans60.7-117.9-169.700000110.8H276H276-G431 VanDerWaalsContact NE2-CA 3.29Å; H276-G431 WeakPolarHBondContact NE2-CA 3.07Å
432M94Very high97Very high144 Ų14435.6 Ų35.671%0.70920%0.2SC*.THydrogen-bonded Turntrans-97.40.9176.9-62.6-170.5-6500113.8V430V430-M432 PolarHBondContact O-N 2.62Å
433E97.1Very high97Very high6 Ų634 Ų343%0.02820%0.198CC..EExtended strand (participates in β ladder)trans-101.3140.2-177.6-62.6-57.9128.700110.9W255 R257 L269 V273 S429 V430 F435W255-E433 PolarHBondContact NE1-OE2 3.47Å; R257-E433 IonicContact CZ-OE1 3.76Å; R257-E433 IonicContact CZ-OE2 3.31Å; R257-E433 IonicContact NE-OE1 2.77Å; R257-E433 PolarHBondContact NE-OE1 3.01Å; R257-E433 IonicContact NE-OE2 3.58Å; R257-E433 PolarHBondContact NE-OE2 3.33Å; R257-E433 IonicContact NH2-OE1 4Å; R257-E433 PolarHBondContact NH2-OE1 2.99Å; R257-E433 IonicContact NH2-OE2 2.76Å; L269-E433 WeakPolarHBondContact CD2-OE1 3.38Å; V273-E433 HydrophobicContact CG2-CB 3.89Å; V273-E433 HydrophobicContact CG2-CG 3.73Å; S429-E433 WeakPolarHBondContact CA-O 3.46Å; V430-E433 PolarHBondContact N-O 2.84Å; V430-E433 PolarHBondContact O-N 3.03Å; E433-F435 HydrophobicContact CB-CE2 3.87Å; E433-F435 HydrophobicContact CB-CZ 4.45Å
434T97.9Very high97Very high45 Ų4535.5 Ų35.528%0.27621%0.205SC..EExtended strand (participates in β ladder)trans-109.8138.6178.3-50.30000109.9A256 K427 L428A256-T434 HydrophobicContact CB-CG2 4.23Å; A256-T434 WeakPolarHBondContact CB-O 3.29Å; A256-T434 PolarHBondContact N-O 3.44Å; K427-T434 HydrophobicContact CB-CG2 4.45Å; L428-T434 WeakPolarHBondContact O-CA 3.42Å
435F98.2Very high97Very high0 Ų035.8 Ų35.80%021%0.209CC..EExtended strand (participates in β ladder)trans-126.4154.7174.9-63.3-94000109.6L242 L244 L253 E254 W255 V273 K427 L428 V430 E433L242-F435 HydrophobicContact CB-CE1 3.85Å; L242-F435 HydrophobicContact CB-CZ 4.1Å; L242-F435 HydrophobicContact CD1-CZ 4.17Å; L244-F435 HydrophobicContact CB-CD1 3.62Å; L244-F435 HydrophobicContact CB-CE1 3.75Å; L244-F435 HydrophobicContact CB-CG 4.04Å; L244-F435 HydrophobicContact CB-CZ 4.27Å; L244-F435 HydrophobicContact CD2-CB 4.03Å; L244-F435 HydrophobicContact CD2-CD1 4.15Å; L244-F435 HydrophobicContact CD2-CD2 3.64Å; L244-F435 HydrophobicContact CD2-CE2 4.11Å; L244-F435 HydrophobicContact CD2-CG 3.67Å; L253-F435 HydrophobicContact CB-CB 3.86Å; E254-F435 CarbonylContact O-C 3.51Å; E254-F435 WeakPolarHBondContact O-CA 3.29Å; W255-F435 HydrophobicContact CB-CD1 4.05Å; W255-F435 HydrophobicContact CB-CE1 3.87Å; W255-F435 AromaticContact CD1-CE1 3.69Å; W255-F435 AromaticContact CD1-CZ 3.84Å; W255-F435 HydrophobicContact CG-CD1 4.45Å; W255-F435 AromaticContact CG-CE1 3.97Å; W255-F435 HydrophobicContact CG-CE1 3.97Å; W255-F435 HydrophobicContact CG-CZ 4.46Å; V273-F435 HydrophobicContact CG1-CE2 4.28Å; V273-F435 HydrophobicContact CG1-CZ 4.28Å; V273-F435 HydrophobicContact CG2-CE2 4.28Å; V273-F435 HydrophobicContact CG2-CZ 4.26Å; K427-F435 CarbonylContact C-O 3.5Å; K427-F435 WeakPolarHBondContact CA-O 3.16Å; L428-F435 PolarHBondContact N-O 3.21Å; L428-F435 PolarHBondContact O-N 2.6Å; V430-F435 HydrophobicContact CB-CE2 4.28Å; V430-F435 HydrophobicContact CG2-CD2 4.14Å; V430-F435 HydrophobicContact CG2-CE2 4.23Å; E433-F435 HydrophobicContact CB-CE2 3.87Å; E433-F435 HydrophobicContact CB-CZ 4.45Å
436S97.1Very high97Very high27 Ų2734.6 Ų34.619%0.18920%0.203CC..EExtended strand (participates in β ladder)trans-144.7148.2178.457.20000112.7E254 A426E254-S436 PolarHBondContact N-O 3.1Å; E254-S436 PolarHBondContact O-N 2.76Å; A426-S436 WeakPolarHBondContact O-CA 3.32Å; A426-S436 WeakPolarHBondContact O-CB 3.4Å
437C96.2Very high97Very high15 Ų1534.9 Ų34.910%0.10121%0.205CC..EExtended strand (participates in β ladder)trans-121.6146.7161.460.80000108.7V251 L253 T425 A426V251-C437 HydrophobicContact CG1-CB 3.96Å; L253-C437 HydrophobicContact CD2-CB 3.84Å; T425-C437 WeakPolarHBondContact CA-O 3.39Å; A426-C437 PolarHBondContact N-O 3.35Å; A426-C437 PolarHBondContact O-N 2.73Å; A426-C437 VanDerWaalsContact O-N 3.08Å
438T95.6Very high96.9Very high73 Ų7330.5 Ų30.545%0.44819%0.186SC..EExtended strand (participates in β ladder)trans-122.8136.3176-61.70000107.9V423 T424 T425V423-T438 HydrophobicContact CG1-CG2 3.4Å; V423-T438 VanDerWaalsContact CG1-CG2 3.4Å; T424-T438 CarbonylContact O-C 3.57Å; T424-T438 WeakPolarHBondContact O-CA 3.48Å; T425-T438 PolarHBondContact OG1-OG1 3.01Å
439A96.2Very high96.8Very high3 Ų337 Ų373%0.02521%0.214CC..EExtended strand (participates in β ladder)trans-125.9135.1172.500000109.7T424 E460 P461 P463T424-A439 PolarHBondContact N-O 3.22Å; T424-A439 PolarHBondContact O-N 3.3Å; A439-E460 VanDerWaalsContact CA-OE2 3.31Å; A439-E460 WeakPolarHBondContact CA-OE2 3.49Å; A439-E460 HydrophobicContact CB-CB 3.98Å; A439-P461 WeakPolarHBondContact CB-O 3.27Å; A439-P463 HydrophobicContact CB-CG 4.3Å
440S96.8Very high96.8Very high22 Ų2236.2 Ų36.215%0.15421%0.209CC..EExtended strand (participates in β ladder)trans-119130.3-177.2-43.60000110.3R422 E460R422-S440 CarbonylContact O-C 3.57Å; R422-S440 VanDerWaalsContact O-CA 3.26Å; R422-S440 WeakPolarHBondContact O-CA 3.24Å; S440-E460 WeakPolarHBondContact CB-OE2 3.32Å; S440-E460 PolarHBondContact N-OE2 2.77Å; S440-E460 PolarHBondContact O-N 2.7Å; S440-E460 PolarHBondContact OG-OE2 3.08Å
441V97.5Very high96.7Very high30 Ų3036.5 Ų36.518%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-129.1131.5-178.6171.70000109.7Y421 R422 D459Y421-V441 CarbonylContact C-O 3.17Å; Y421-V441 VanDerWaalsContact CA-O 3.32Å; Y421-V441 WeakPolarHBondContact CA-O 3.37Å; Y421-V441 WeakPolarHBondContact CB-O 3.36Å; R422-V441 PolarHBondContact N-O 2.89Å; R422-V441 PolarHBondContact O-N 3.25Å; V441-D459 WeakPolarHBondContact CA-OD1 3.39Å; V441-D459 HydrophobicContact CG1-CB 4.5Å; V441-D459 HydrophobicContact CG2-CB 4.29Å
442L97.8Very high96.7Very high60 Ų6038.5 Ų38.531%0.31421%0.214SC..EExtended strand (participates in β ladder)trans-65.1136.7179-173.360.6000111.1L419 A445 F456 D459L419-L442 HydrophobicContact CD1-CD1 4.27Å; L419-L442 HydrophobicContact CD2-CD1 4.48Å; L419-L442 HydrophobicContact CG-CD1 4.16Å; L442-A445 HydrophobicContact CD2-CB 4.32Å; L442-F456 HydrophobicContact CB-CD1 3.78Å; L442-F456 HydrophobicContact CB-CE1 4.24Å; L442-F456 HydrophobicContact CB-CG 4.3Å; L442-F456 HydrophobicContact CD1-CB 3.82Å; L442-F456 HydrophobicContact CD1-CD1 4.26Å; L442-F456 HydrophobicContact CD1-CD2 4.36Å; L442-F456 HydrophobicContact CD1-CG 3.9Å; L442-F456 HydrophobicContact CD2-CB 4.27Å; L442-F456 HydrophobicContact CG-CB 4.46Å; L442-F456 HydrophobicContact CG-CD1 4.49Å; L442-D459 WeakPolarHBondContact CB-OD1 3.36Å; L442-D459 PolarHBondContact N-OD1 3.26Å
443I97.6Very high96.7Very high64 Ų6437.5 Ų37.533%0.32820%0.202SC..EExtended strand (participates in β ladder)trans-109.3-50.7171.1-57.7177.4000109.6E288 K420 R422E288-I443 HydrophobicContact CG-CD1 4.04Å; K420-I443 HydrophobicContact CB-CB 4.44Å; K420-I443 HydrophobicContact CD-CB 4.43Å; K420-I443 HydrophobicContact CD-CD1 4.46Å; K420-I443 HydrophobicContact CD-CG2 4.16Å; K420-I443 HydrophobicContact CG-CB 4.19Å; K420-I443 HydrophobicContact CG-CD1 4.24Å; K420-I443 HydrophobicContact CG-CG2 4.47Å; K420-I443 WeakPolarHBondContact O-CA 3.47Å; K420-I443 WeakPolarHBondContact O-CB 3.39Å; K420-I443 PolarHBondContact O-N 2.91Å; R422-I443 HydrophobicContact CB-CD1 4.01Å; R422-I443 HydrophobicContact CB-CG1 4.28Å
444D96.9Very high96.6Very high48 Ų4838.5 Ų38.526%0.25721%0.209SC..EExtended strand (participates in β ladder)trans-143.2126.7176.5-1762.3000109.6L419 K420 G446L419-D444 CarbonylContact C-O 3.5Å; L419-D444 WeakPolarHBondContact CA-O 3.45Å; K420-D444 HydrophobicContact CB-CB 4.16Å; K420-D444 PolarHBondContact N-O 2.98Å; K420-D444 PolarHBondContact O-N 3.44Å; D444-G446 VanDerWaalsContact C-N 3.25Å; D444-G446 PolarHBondContact O-N 3.2Å; D444-G446 PolarHBondContact OD1-N 3.1Å
445A97Very high96.4Very high17 Ų1739 Ų3914%0.1422%0.218CC..  trans-67.7-22.9177.700000113.3L419 L442 F447 T448 K449L419-A445 WeakPolarHBondContact CB-O 3.45Å; L442-A445 HydrophobicContact CD2-CB 4.32Å; A445-F447 PolarHBondContact O-N 2.85Å; A445-T448 PolarHBondContact O-N 3.39Å; A445-T448 PolarHBondContact O-OG1 2.98Å; A445-K449 HydrophobicContact CB-CD 4.48Å; A445-K449 HydrophobicContact CB-CG 3.63Å
446G97.2Very high96.1Very high9 Ų941.3 Ų41.39%0.09323%0.228CC..G310 helixtrans50-131.5-179.700000112.5R417 D444 T448 K449R417-G446 CarbonylContact O-C 3.59Å; R417-G446 WeakPolarHBondContact O-CA 3.29Å; D444-G446 VanDerWaalsContact C-N 3.25Å; D444-G446 PolarHBondContact O-N 3.2Å; D444-G446 PolarHBondContact OD1-N 3.1Å; G446-T448 PolarHBondContact O-N 3.38Å; G446-T448 VanDerWaalsContact O-N 3.1Å; G446-K449 PolarHBondContact O-N 3.44Å
447F97.9Very high95.9Very high6 Ų642.8 Ų42.83%0.02625%0.248CC..G310 helixtrans-59.6-19.9-179.783.7-83.6000114.4K291 K293 R417 L419 A445 K449 V450 M451K291-F447 HydrophobicContact CD-CZ 4.38Å; K291-F447 HydrophobicContact CG-CE1 4.29Å; K291-F447 HydrophobicContact CG-CZ 4.42Å; K293-F447 HydrophobicContact CB-CB 4.14Å; K293-F447 HydrophobicContact CB-CD1 4Å; K293-F447 HydrophobicContact CB-CG 4.05Å; R417-F447 PolarHBondContact O-N 2.78Å; L419-F447 HydrophobicContact CB-CD1 4.4Å; L419-F447 HydrophobicContact CB-CE1 4.22Å; A445-F447 PolarHBondContact O-N 2.85Å; F447-K449 PolarHBondContact O-N 3.08Å; F447-V450 WeakPolarHBondContact O-CG1 3.35Å; F447-V450 PolarHBondContact O-N 3.4Å; F447-M451 HydrophobicContact CD2-CB 4.17Å; F447-M451 HydrophobicContact CD2-CG 4.35Å; F447-M451 HydrophobicContact CD2-SD 3.7Å; F447-M451 HydrophobicContact CE2-CB 4.42Å; F447-M451 HydrophobicContact CE2-SD 4.06Å; F447-M451 PolarHBondContact O-N 2.78Å
448T97.2Very high95.7Very high6 Ų651.4 Ų51.44%0.03728%0.284CS..G310 helixtrans-78.4-6.8-178.376.80000113.2L419 A445 G446 V450 M451 S454L419-T448 HydrophobicContact CB-CG2 4.23Å; L419-T448 HydrophobicContact CD1-CG2 3.54Å; A445-T448 PolarHBondContact O-N 3.39Å; A445-T448 PolarHBondContact O-OG1 2.98Å; G446-T448 PolarHBondContact O-N 3.38Å; G446-T448 VanDerWaalsContact O-N 3.1Å; T448-V450 VanDerWaalsContact C-N 3.27Å; T448-M451 CarbonylContact O-C 3.6Å; T448-S454 VanDerWaalsContact CG2-O 3.23Å; T448-S454 WeakPolarHBondContact CG2-O 3.4Å
449K95.7Very high95.6Very high136 Ų13652.5 Ų52.559%0.59129%0.287SS*.G310 helixtrans-61.5-40.3166.4-68.6-175.3-179.2173.70111A445 G446 F447A445-K449 HydrophobicContact CB-CD 4.48Å; A445-K449 HydrophobicContact CB-CG 3.63Å; G446-K449 PolarHBondContact O-N 3.44Å; F447-K449 PolarHBondContact O-N 3.08Å
450V96.7Very high95.4Very high3 Ų356.6 Ų56.62%0.01831%0.305CS..THydrogen-bonded Turntrans-91.3-35.7179.955.60000112.5R409 M412 F447 T448 T452R409-V450 HydrophobicContact CB-CG2 4Å; R409-V450 WeakPolarHBondContact CD-O 3.21Å; R409-V450 HydrophobicContact CG-CG2 3.94Å; R409-V450 PolarHBondContact NH1-O 3.3Å; M412-V450 HydrophobicContact CB-CB 4.49Å; M412-V450 HydrophobicContact CB-CG1 4.18Å; M412-V450 HydrophobicContact CB-CG2 3.74Å; M412-V450 HydrophobicContact CE-CG2 3.55Å; M412-V450 HydrophobicContact SD-CG2 4.13Å; F447-V450 WeakPolarHBondContact O-CG1 3.35Å; F447-V450 PolarHBondContact O-N 3.4Å; T448-V450 VanDerWaalsContact C-N 3.27Å; V450-T452 PolarHBondContact O-N 3.32Å
451M96.9Very high95.1Very high7 Ų761.2 Ų61.23%0.03434%0.335CS..  trans-99.573.5174.9-64.1178.477.300110.8P294 R409 H410 F447 T448 W453 S454P294-M451 HydrophobicContact CG-CE 4.22Å; P294-M451 HydrophobicContact CG-SD 3.76Å; R409-M451 WeakPolarHBondContact O-CG 3.49Å; H410-M451 HydrophobicContact CB-CE 4.46Å; F447-M451 HydrophobicContact CD2-CB 4.17Å; F447-M451 HydrophobicContact CD2-CG 4.35Å; F447-M451 HydrophobicContact CD2-SD 3.7Å; F447-M451 HydrophobicContact CE2-CB 4.42Å; F447-M451 HydrophobicContact CE2-SD 4.06Å; F447-M451 PolarHBondContact O-N 2.78Å; T448-M451 CarbonylContact O-C 3.6Å; M451-W453 VanDerWaalsContact C-N 3.26Å; M451-W453 HydrophobicContact CB-CZ2 4.07Å; M451-W453 HydrophobicContact CE-CZ2 3.72Å; M451-W453 HydrophobicContact CG-CH2 4.41Å; M451-W453 HydrophobicContact CG-CZ2 3.97Å; M451-W453 PolarHBondContact O-N 3.04Å; M451-S454 WeakPolarHBondContact O-CB 3.33Å; M451-S454 PolarHBondContact O-N 3.25Å
452T94Very high94.9Very high87 Ų8763.8 Ų63.853%0.53435%0.345SS..G310 helixtrans-63.2-26.5-170.255.50000114.3V450 S454 A455V450-T452 PolarHBondContact O-N 3.32Å; T452-S454 PolarHBondContact O-N 3.24Å; T452-A455 WeakPolarHBondContact O-CB 3.33Å; T452-A455 PolarHBondContact O-N 3.27Å; T452-A455 VanDerWaalsContact O-N 3.13Å
453W93.7Very high94.4Very high124 Ų12461.8 Ų61.847%0.4734%0.335SS..G310 helixtrans-67.7-12.5172.657.488.5000113.5F406 R409 M451F406-W453 HydrophobicContact CD2-CH2 4.06Å; F406-W453 AromaticContact CD2-CZ2 3.68Å; F406-W453 HydrophobicContact CD2-CZ2 3.68Å; F406-W453 HydrophobicContact CE2-CZ2 4.01Å; R409-W453 HydrophobicContact CB-CH2 3.74Å; R409-W453 HydrophobicContact CB-CZ3 4.43Å; R409-W453 HydrophobicContact CG-CH2 4.47Å; M451-W453 VanDerWaalsContact C-N 3.26Å; M451-W453 HydrophobicContact CB-CZ2 4.07Å; M451-W453 HydrophobicContact CE-CZ2 3.72Å; M451-W453 HydrophobicContact CG-CH2 4.41Å; M451-W453 HydrophobicContact CG-CZ2 3.97Å; M451-W453 PolarHBondContact O-N 3.04Å
454S94.6Very high94.2Very high26 Ų2661.7 Ų61.718%0.18234%0.339CS..G310 helixtrans-102.66.7175.2-64.50000113.2K291 T448 M451 T452K291-S454 PolarHBondContact NZ-O 3.32Å; T448-S454 VanDerWaalsContact CG2-O 3.23Å; T448-S454 WeakPolarHBondContact CG2-O 3.4Å; M451-S454 WeakPolarHBondContact O-CB 3.33Å; M451-S454 PolarHBondContact O-N 3.25Å; T452-S454 PolarHBondContact O-N 3.24Å
455A94.6Very high94.1Very high55 Ų5560 Ų6046%0.45533%0.329SS..  trans-55.2152.9-175.400000113.5T452T452-A455 WeakPolarHBondContact O-CB 3.33Å; T452-A455 PolarHBondContact O-N 3.27Å; T452-A455 VanDerWaalsContact O-N 3.13Å
456F92.1Very high94Very high49 Ų4963.8 Ų63.822%0.21535%0.351CS..  trans-61.1148.7170.6-156.7-109.5000110.4L419 Y421 L442L419-F456 HydrophobicContact CD1-CB 4.03Å; L419-F456 HydrophobicContact CD1-CD2 4.24Å; L419-F456 HydrophobicContact CD2-CD2 3.94Å; L419-F456 HydrophobicContact CD2-CE2 4.46Å; Y421-F456 HydrophobicContact CD1-CE2 4.13Å; Y421-F456 AromaticContact CD2-CE2 3.67Å; Y421-F456 HydrophobicContact CD2-CE2 3.67Å; Y421-F456 AromaticContact CD2-CZ 3.88Å; Y421-F456 HydrophobicContact CD2-CZ 3.88Å; Y421-F456 HydrophobicContact CE2-CE2 4.3Å; Y421-F456 HydrophobicContact CG-CD2 4.46Å; Y421-F456 AromaticContact CG-CE2 3.57Å; Y421-F456 HydrophobicContact CG-CE2 3.57Å; Y421-F456 HydrophobicContact CG-CZ 4.02Å; L442-F456 HydrophobicContact CB-CD1 3.78Å; L442-F456 HydrophobicContact CB-CE1 4.24Å; L442-F456 HydrophobicContact CB-CG 4.3Å; L442-F456 HydrophobicContact CD1-CB 3.82Å; L442-F456 HydrophobicContact CD1-CD1 4.26Å; L442-F456 HydrophobicContact CD1-CD2 4.36Å; L442-F456 HydrophobicContact CD1-CG 3.9Å; L442-F456 HydrophobicContact CD2-CB 4.27Å; L442-F456 HydrophobicContact CG-CB 4.46Å; L442-F456 HydrophobicContact CG-CD1 4.49Å
457G91.5Very high93.9Very high58 Ų5869.2 Ų69.260%0.59837%0.373SS*.  trans-63-176.8168.900000111.8
458K91.9Very high93.8Very high197 Ų19771.9 Ų71.986%0.85740%0.403SS*.PPolyproline II helixtrans-68.1146.8170.9-66.6-175.6179-179.80109.8E460K458-E460 PolarHBondContact O-N 3.33Å
459D93.5Very high93.8Very high96 Ų9674.2 Ų74.251%0.51342%0.417SS..PPolyproline II helixtrans-56.7130.3173.5-72.7-19.9000110.8V441 L442V441-D459 WeakPolarHBondContact CA-OD1 3.39Å; V441-D459 HydrophobicContact CG1-CB 4.5Å; V441-D459 HydrophobicContact CG2-CB 4.29Å; L442-D459 WeakPolarHBondContact CB-OD1 3.36Å; L442-D459 PolarHBondContact N-OD1 3.26Å
460E93Very high93.8Very high88 Ų8873.5 Ų73.541%0.41142%0.416SS..PPolyproline II helixtrans-88.6139.6179.9-64.9172.7153.200110.4A439 S440 K458 Q462A439-E460 VanDerWaalsContact CA-OE2 3.31Å; A439-E460 WeakPolarHBondContact CA-OE2 3.49Å; A439-E460 HydrophobicContact CB-CB 3.98Å; S440-E460 WeakPolarHBondContact CB-OE2 3.32Å; S440-E460 PolarHBondContact N-OE2 2.77Å; S440-E460 PolarHBondContact O-N 2.7Å; S440-E460 PolarHBondContact OG-OE2 3.08Å; K458-E460 PolarHBondContact O-N 3.33Å; E460-Q462 PolarHBondContact O-N 3.4Å
461P91.1Very high93.8Very high120 Ų12074.4 Ų74.478%0.77942%0.421SS*.PPolyproline II helixtrans-57.3132.2177-20.631.2000111.1A439A439-P461 WeakPolarHBondContact CB-O 3.27Å
462Q91.4Very high93.8Very high84 Ų8476.7 Ų76.739%0.39344%0.441SS..PPolyproline II helixtrans-65.8140.5178.8-68.1-60.3-69.200111T424 E460T424-Q462 PolarHBondContact OG1-OE1 3.47Å; E460-Q462 PolarHBondContact O-N 3.4Å
463P89.3Confident94Very high17 Ų1773.9 Ų73.911%0.1142%0.423CS..PPolyproline II helixtrans-59.8126.3177.5-21.332.9000110T424 A426 A439 F465T424-P463 HydrophobicContact CG2-CG 4.3Å; A426-P463 HydrophobicContact CB-CB 3.88Å; A426-P463 HydrophobicContact CB-CG 4.23Å; A439-P463 HydrophobicContact CB-CG 4.3Å; P463-F465 HydrophobicContact CB-CD2 3.77Å; P463-F465 HydrophobicContact CB-CE2 4.38Å; P463-F465 PolarHBondContact O-N 3.46Å
464P92.2Very high94.1Very high63 Ų6371.1 Ų71.141%0.40942%0.418SS..  trans-80.330.9-177.136.4-37.2000111.8P249 V251P249-P464 HydrophobicContact CG-CG 4.35Å; V251-P464 HydrophobicContact CG2-CG 4Å
465F94.6Very high94.2Very high12 Ų1272.4 Ų72.45%0.05342%0.422CS..  trans-101.4140.6-172.1-60.3-48.8000110.8V251 L253 V281 V284 A426 L428 P463 V471V251-F465 HydrophobicContact CB-CE2 4.19Å; V251-F465 HydrophobicContact CB-CZ 3.93Å; V251-F465 HydrophobicContact CG1-CE2 4.23Å; V251-F465 HydrophobicContact CG1-CZ 4.46Å; V251-F465 HydrophobicContact CG2-CE2 4.36Å; V251-F465 HydrophobicContact CG2-CZ 4.1Å; L253-F465 HydrophobicContact CD2-CE2 4.07Å; V281-F465 HydrophobicContact CG1-CB 3.93Å; V281-F465 HydrophobicContact CG2-CB 3.99Å; V281-F465 HydrophobicContact CG2-CD1 4.32Å; V281-F465 HydrophobicContact CG2-CG 4.33Å; V284-F465 HydrophobicContact CG2-CB 4.22Å; A426-F465 HydrophobicContact CB-CB 4.35Å; A426-F465 HydrophobicContact CB-CD2 3.71Å; L428-F465 HydrophobicContact CD1-CD2 3.82Å; L428-F465 HydrophobicContact CD1-CE2 3.96Å; L428-F465 HydrophobicContact CD1-CG 4.33Å; L428-F465 HydrophobicContact CD2-CD1 4.49Å; L428-F465 HydrophobicContact CD2-CE1 4.18Å; L428-F465 HydrophobicContact CD2-CE2 4.24Å; L428-F465 HydrophobicContact CD2-CZ 4.04Å; P463-F465 HydrophobicContact CB-CD2 3.77Å; P463-F465 HydrophobicContact CB-CE2 4.38Å; P463-F465 PolarHBondContact O-N 3.46Å; F465-V471 HydrophobicContact CD1-CG1 3.85Å; F465-V471 HydrophobicContact CD1-CG2 4.38Å; F465-V471 HydrophobicContact CE1-CB 4.37Å; F465-V471 HydrophobicContact CE1-CG1 4.06Å; F465-V471 HydrophobicContact CE1-CG2 4.04Å
466V94.9Very high94.3Very high97 Ų9770.3 Ų70.359%0.58840%0.404SS*.  trans-113126.4175.5179.60000108V281 G468 T469V281-V466 WeakPolarHBondContact CB-O 3.29Å; V466-G468 PolarHBondContact O-N 2.85Å; V466-T469 HydrophobicContact CB-CG2 3.76Å; V466-T469 HydrophobicContact CG1-CG2 3.92Å; V466-T469 WeakPolarHBondContact O-CB 3.26Å; V466-T469 WeakPolarHBondContact O-CG2 3.43Å; V466-T469 PolarHBondContact O-N 2.98Å; V466-T469 VanDerWaalsContact O-N 3.15Å; V466-T469 PolarHBondContact O-OG1 3.03Å
467Q96.3Very high94.5Very high122 Ų12274.5 Ų74.557%0.5742%0.418SS*.THydrogen-bonded Turntrans-55.5139-179.6-179.1172.4-2200111.7E282 V284 T469E282-Q467 WeakPolarHBondContact O-CG 3.46Å; V284-Q467 HydrophobicContact CG2-CB 4.46Å; Q467-T469 PolarHBondContact O-N 3.27Å
468G95.4Very high94.7Very high63 Ų6374 Ų7465%0.64940%0.402SS*.THydrogen-bonded Turntrans81.4-6.3-178.500000114.6V281 V466V281-G468 PolarHBondContact O-N 3.4Å; V466-G468 PolarHBondContact O-N 2.85Å
469T96.5Very high95Very high55 Ų5567 Ų6734%0.33737%0.373SS..  trans-87.3161.4178.467.60000112.3V281 V466 Q467V281-T469 PolarHBondContact N-O 3.06Å; V466-T469 HydrophobicContact CB-CG2 3.76Å; V466-T469 HydrophobicContact CG1-CG2 3.92Å; V466-T469 WeakPolarHBondContact O-CB 3.26Å; V466-T469 WeakPolarHBondContact O-CG2 3.43Å; V466-T469 PolarHBondContact O-N 2.98Å; V466-T469 VanDerWaalsContact O-N 3.15Å; V466-T469 PolarHBondContact O-OG1 3.03Å; Q467-T469 PolarHBondContact O-N 3.27Å
470Q96.6Very high95.2Very high121 Ų12167.1 Ų67.157%0.56537%0.371SS*.EExtended strand (participates in β ladder)trans-104.3135.7169-69.3-172.6-1700109.9K278 A279K278-Q470 HydrophobicContact CB-CB 4.36Å; K278-Q470 HydrophobicContact CD-CB 4.11Å; K278-Q470 VanDerWaalsContact CD-OE1 3.29Å; A279-Q470 CarbonylContact O-C 3.58Å; A279-Q470 WeakPolarHBondContact O-CA 3.19Å
471V96.5Very high95.4Very high21 Ų2164.8 Ų64.813%0.12736%0.364CS..EExtended strand (participates in β ladder)trans-118.1147.7176.5-65.10000110.8A246 K278 A279 V281 L428 F465A246-V471 HydrophobicContact CB-CG2 4.27Å; K278-V471 CarbonylContact C-O 3.57Å; K278-V471 WeakPolarHBondContact CA-O 3.25Å; A279-V471 HydrophobicContact CB-CG2 4.08Å; A279-V471 PolarHBondContact N-O 2.81Å; A279-V471 PolarHBondContact O-N 2.88Å; V281-V471 HydrophobicContact CG2-CG1 4.19Å; V281-V471 HydrophobicContact CG2-CG2 4.44Å; L428-V471 HydrophobicContact CD2-CG2 3.56Å; F465-V471 HydrophobicContact CD1-CG1 3.85Å; F465-V471 HydrophobicContact CD1-CG2 4.38Å; F465-V471 HydrophobicContact CE1-CB 4.37Å; F465-V471 HydrophobicContact CE1-CG1 4.06Å; F465-V471 HydrophobicContact CE1-CG2 4.04Å
472A96.7Very high95.6Very high55 Ų5565.1 Ų65.146%0.45536%0.355SS..EExtended strand (participates in β ladder)trans-64.4137176.500000110.5A246 G247 N474A246-A472 VanDerWaalsContact CA-O 3.32Å; A246-A472 WeakPolarHBondContact CA-O 3.33Å; A246-A472 WeakPolarHBondContact CB-O 3.43Å; G247-A472 PolarHBondContact N-O 3.04Å; A472-N474 PolarHBondContact O-OD1 2.89Å
473I97.6Very high95.9Very high29 Ų2962.5 Ų62.515%0.14934%0.344CS..EExtended strand (participates in β ladder)trans-84.9118.8166.5-64.7169.9000106.8L244 H276 K277 A279 V430L244-I473 HydrophobicContact CD1-CD1 4.41Å; L244-I473 HydrophobicContact CD1-CG1 4.24Å; L244-I473 HydrophobicContact CD1-CG2 3.61Å; H276-I473 HydrophobicContact CB-CD1 4.28Å; K277-I473 PolarHBondContact O-N 3.26Å; A279-I473 HydrophobicContact CB-CD1 4.35Å; A279-I473 HydrophobicContact CB-CG1 4.06Å; V430-I473 HydrophobicContact CB-CD1 4.41Å; V430-I473 HydrophobicContact CG1-CD1 3.59Å; V430-I473 HydrophobicContact CG2-CD1 3.84Å
474N96.4Very high96Very high66 Ų6664.3 Ų64.335%0.35337%0.366SS..EExtended strand (participates in β ladder)trans-87.4-41.3-178.8-59.10.1000110.2L245 G247 E250 A472L245-N474 HydrophobicContact CB-CB 4.41Å; L245-N474 PolarHBondContact O-N 3.15Å; G247-N474 PolarHBondContact O-ND2 3.01Å; E250-N474 WeakPolarHBondContact CG-ND2 3.48Å; E250-N474 WeakPolarHBondContact OE2-CB 3.33Å; E250-N474 PolarHBondContact OE2-ND2 3Å; A472-N474 PolarHBondContact O-OD1 2.89Å
475D96.7Very high96Very high52 Ų5264.6 Ų64.628%0.27837%0.368SS..EExtended strand (participates in β ladder)trans-157.7154.4177.4-162.82.8000111.7L245 R477L245-D475 HydrophobicContact CB-CB 4.11Å; L245-D475 HydrophobicContact CD1-CB 3.98Å; L245-D475 PolarHBondContact N-O 2.72Å; L245-D475 PolarHBondContact O-N 2.92Å; D475-R477 IonicContact OD2-CZ 2.74Å; D475-R477 IonicContact OD2-NE 3.99Å; D475-R477 PolarHBondContact OD2-NE 2.9Å; D475-R477 IonicContact OD2-NH2 3.06Å; D475-R477 PolarHBondContact OD2-NH2 2.98Å
476V96.5Very high96.1Very high12 Ų1266.5 Ų66.57%0.07338%0.382CS..EExtended strand (participates in β ladder)trans-140123.2168.863.60000110Q243 L244 L270 V273 K274Q243-V476 WeakPolarHBondContact O-CA 3.39Å; L244-V476 HydrophobicContact CD1-CB 3.94Å; L244-V476 HydrophobicContact CD1-CG2 4.19Å; L270-V476 HydrophobicContact CD1-CG1 4.24Å; L270-V476 HydrophobicContact CD1-CG2 3.95Å; V273-V476 HydrophobicContact CG1-CB 4.33Å; V273-V476 HydrophobicContact CG1-CG1 4.35Å; V273-V476 HydrophobicContact CG1-CG2 3.8Å; K274-V476 HydrophobicContact CD-CG1 4.46Å; K274-V476 HydrophobicContact CG-CG1 3.46Å; K274-V476 VanDerWaalsContact CG-CG1 3.46Å
477R95.5Very high96.2Very high137 Ų13765.8 Ų65.852%0.51738%0.375SS..EExtended strand (participates in β ladder)trans-120.3145.9-176.4-59.9-174.5-173.6176.19.5111.2L242 Q243 D475L242-R477 WeakPolarHBondContact CA-O 3.21Å; Q243-R477 PolarHBondContact N-O 3.14Å; Q243-R477 PolarHBondContact O-N 3.14Å; D475-R477 IonicContact OD2-CZ 2.74Å; D475-R477 IonicContact OD2-NE 3.99Å; D475-R477 PolarHBondContact OD2-NE 2.9Å; D475-R477 IonicContact OD2-NH2 3.06Å; D475-R477 PolarHBondContact OD2-NH2 2.98Å
478L97.1Very high96.3Very high47 Ų4761.7 Ų61.725%0.24635%0.354CS..EExtended strand (participates in β ladder)trans-94.1114.4165.7-175.570.1000107.9W240 L242 A266 I267 L270W240-L478 HydrophobicContact CB-CD1 3.77Å; W240-L478 HydrophobicContact CB-CG 4.28Å; W240-L478 HydrophobicContact CG-CD1 4.41Å; W240-L478 HydrophobicContact CG-CG 4.47Å; L242-L478 HydrophobicContact CD2-CB 4.45Å; L242-L478 HydrophobicContact CD2-CD1 3.66Å; A266-L478 HydrophobicContact CB-CD1 3.71Å; A266-L478 HydrophobicContact CB-CD2 4.32Å; I267-L478 HydrophobicContact CG1-CD2 4.03Å; L270-L478 HydrophobicContact CD1-CB 4.32Å; L270-L478 HydrophobicContact CD2-CB 3.92Å
479I97.1Very high96.5Very high49 Ų4958.8 Ų58.825%0.25132%0.324SS..EExtended strand (participates in β ladder)trans-97.4120.8177-59.3-172.8000108.3W240 H241 Q243W240-I479 VanDerWaalsContact CA-O 3.26Å; W240-I479 WeakPolarHBondContact CA-O 3.42Å; H241-I479 VanDerWaalsContact CE1-CB 3.43Å; H241-I479 WeakPolarHBondContact CE1-CB 3.3Å; H241-I479 WeakPolarHBondContact CE1-CG2 3.49Å; H241-I479 PolarHBondContact N-O 2.74Å; H241-I479 PolarHBondContact O-N 2.93Å; Q243-I479 HydrophobicContact CB-CD1 3.8Å; Q243-I479 HydrophobicContact CB-CG1 4.27Å; Q243-I479 HydrophobicContact CG-CD1 4.38Å
480E97.7Very high96.6Very high100 Ų10057.7 Ų57.747%0.46732%0.317SS..EExtended strand (participates in β ladder)trans-86.8135.9170.3-174.8159.7167.700109.5W240 K263W240-E480 HydrophobicContact CZ2-CG 4.32Å; W240-E480 VanDerWaalsContact NE1-CG 3.31Å; W240-E480 PolarHBondContact NE1-OE2 2.9Å; K263-E480 IonicContact NZ-OE2 3.46Å; K263-E480 PolarHBondContact NZ-OE2 2.98Å
481S96.9Very high96.6Very high38 Ų3852.1 Ų52.127%0.26629%0.291SS..EExtended strand (participates in β ladder)trans-148.4168.6-179-66.50000110S238 F239S238-S481 WeakPolarHBondContact CA-O 3.25Å; F239-S481 VanDerWaalsContact CE2-CB 3.5Å; F239-S481 PolarHBondContact N-O 3.03Å; F239-S481 PolarHBondContact O-N 2.87Å; F239-S481 VanDerWaalsContact O-O 3.04Å
482Q96.6Very high96.7Very high128 Ų12852.1 Ų52.160%0.59829%0.292SS*.EExtended strand (participates in β ladder)trans-129.1145.8177.5-76.3-175.1-14.500110.9S238 F239S238-Q482 PolarHBondContact OG-NE2 2.81Å; F239-Q482 VanDerWaalsContact CE1-C 3.42Å
483T96.1Very high96.7Very high28 Ų2852.7 Ų52.717%0.17229%0.285CS..PPolyproline II helixtrans-68.3137.117157.70000110F234 E237 F239 F261F234-T483 WeakPolarHBondContact CE1-O 3.22Å; F234-T483 WeakPolarHBondContact CZ-OG1 3.49Å; E237-T483 PolarHBondContact N-OG1 2.86Å; E237-T483 PolarHBondContact O-N 3.48Å; E237-T483 VanDerWaalsContact O-N 3.09Å; F239-T483 HydrophobicContact CD1-CG2 3.92Å; F239-T483 HydrophobicContact CE1-CG2 4.09Å; F261-T483 HydrophobicContact CE1-CG2 4.12Å; F261-T483 HydrophobicContact CZ-CG2 4.46Å
484G91.8Very high96.8Very high55 Ų5551.3 Ų51.357%0.56728%0.278SS*.PPolyproline II helixtrans-93.6152.8172.800000112.3F234F234-G484 VanDerWaalsContact CE1-C 3.42Å; F234-G484 VanDerWaalsContact CZ-O 3.26Å; F234-G484 WeakPolarHBondContact CZ-O 3.41Å
485P93.6Very high96.8Very high69 Ų6948.2 Ų48.245%0.44826%0.261SS..PPolyproline II helixtrans-63.9162.6169.430.2-35.4000110.6I231 F234I231-P485 HydrophobicContact CG2-CB 4.4Å; F234-P485 HydrophobicContact CB-CB 3.9Å; F234-P485 HydrophobicContact CD1-CB 3.69Å; F234-P485 HydrophobicContact CD1-CG 4.37Å; F234-P485 HydrophobicContact CD2-CB 4.46Å; F234-P485 HydrophobicContact CE1-CB 4.32Å; F234-P485 HydrophobicContact CG-CB 3.76Å
486P95.8Very high96.8Very high53 Ų5348.1 Ų48.134%0.34426%0.263SS..PPolyproline II helixtrans-61.9166.4165.230.5-34.8000110.4D230 I231D230-P486 HydrophobicContact CB-CG 4.35Å; I231-P486 HydrophobicContact CG1-CG 3.98Å; I231-P486 VanDerWaalsContact CG1-O 3.3Å; I231-P486 WeakPolarHBondContact CG1-O 3.41Å
487D97Very high96.9Very high82 Ų8249.5 Ų49.544%0.43927%0.27SS..PPolyproline II helixtrans-94.2168.9170.5-147.8-38.5000110.6R227 K529R227-D487 WeakPolarHBondContact CD-O 3.43Å; R227-D487 VanDerWaalsContact CG-O 3.25Å; R227-D487 WeakPolarHBondContact CG-O 3.08Å; R227-D487 PolarHBondContact NH1-O 3.26Å; D487-K529 VanDerWaalsContact CG-NZ 3.26Å; D487-K529 WeakPolarHBondContact OD1-CD 3.42Å; D487-K529 IonicContact OD1-NZ 2.7Å; D487-K529 PolarHBondContact OD1-NZ 2.8Å; D487-K529 WeakPolarHBondContact OD2-CE 3.5Å; D487-K529 IonicContact OD2-NZ 3.04Å; D487-K529 PolarHBondContact OD2-NZ 2.87Å
488Y98.4Very high97Very high36 Ų3643 Ų4314%0.14125%0.245CC..PPolyproline II helixtrans-59.6150.1170.8-70.4-73.4000111H228 I231 T490 M531H228-Y488 HydrophobicContact CB-CE1 3.86Å; H228-Y488 AromaticContact ND1-CE1 3.59Å; H228-Y488 AromaticContact ND1-CZ 3.85Å; H228-Y488 PolarHBondContact ND1-OH 3.04Å; I231-Y488 HydrophobicContact CD1-CD1 3.79Å; I231-Y488 HydrophobicContact CD1-CD2 4.2Å; I231-Y488 HydrophobicContact CD1-CE1 3.87Å; I231-Y488 HydrophobicContact CD1-CE2 4.28Å; I231-Y488 HydrophobicContact CD1-CG 3.96Å; Y488-T490 PolarHBondContact O-N 3.2Å; Y488-M531 HydrophobicContact CD2-CG 4.39Å; Y488-M531 HydrophobicContact CE1-CG 4.2Å; Y488-M531 HydrophobicContact CE2-CE 4.37Å; Y488-M531 HydrophobicContact CE2-CG 4.06Å; Y488-M531 HydrophobicContact CE2-SD 4.23Å
489L98.7Very high96.8Very high2 Ų244.6 Ų44.61%0.0125%0.251CS..PPolyproline II helixtrans-59.9126.9178.6-75.2173.3000109.9F223 R227 E493 L494 L497 K529 L530F223-L489 HydrophobicContact CB-CD1 3.91Å; F223-L489 WeakPolarHBondContact O-CD1 3.36Å; R227-L489 HydrophobicContact CB-CD1 4.24Å; R227-L489 HydrophobicContact CB-CG 3.89Å; R227-L489 HydrophobicContact CG-CG 4.06Å; L489-E493 HydrophobicContact CD2-CB 3.58Å; L489-E493 HydrophobicContact CD2-CG 4.44Å; L489-L494 HydrophobicContact CD1-CD1 4.37Å; L489-L497 HydrophobicContact CD1-CD1 3.7Å; L489-L497 HydrophobicContact CD2-CD1 3.7Å; L489-L497 HydrophobicContact CG-CD1 4.41Å; L489-K529 CarbonylContact O-C 3.6Å; L489-K529 WeakPolarHBondContact O-CA 3.41Å; L489-L530 PolarHBondContact O-N 2.9Å
490T98.5Very high96.7Very high31 Ų3149.1 Ų49.119%0.1927%0.272CS..BIsolated β-bridgetrans-67.5155.8158.961.10000110Y488 S492 E493 L494 R528 K529Y488-T490 PolarHBondContact O-N 3.2Å; T490-S492 PolarHBondContact O-N 2.99Å; T490-E493 PolarHBondContact N-OE2 3.04Å; T490-E493 PolarHBondContact O-N 3.14Å; T490-E493 WeakPolarHBondContact OG1-CG 3.48Å; T490-E493 PolarHBondContact OG1-N 2.88Å; T490-E493 VanDerWaalsContact OG1-N 3.16Å; T490-E493 PolarHBondContact OG1-OE2 2.99Å; T490-L494 PolarHBondContact O-N 3Å; T490-R528 WeakPolarHBondContact CA-O 3.49Å; T490-K529 HydrophobicContact CG2-CG 4.06Å
491E98.2Very high96.7Very high5 Ų547.7 Ų47.72%0.02327%0.265CS..Hα-helixtrans-55.2-34.7170.9-71.3170.1153.400111.9S307 P314 L494 I495 I513 R528 L530S307-E491 WeakPolarHBondContact CB-OE2 3.33Å; S307-E491 WeakPolarHBondContact OG-CB 3.41Å; S307-E491 PolarHBondContact OG-OE2 2.84Å; P314-E491 WeakPolarHBondContact CD-OE1 3.33Å; P314-E491 VanDerWaalsContact CD-OE2 3.27Å; P314-E491 WeakPolarHBondContact CD-OE2 3.47Å; P314-E491 HydrophobicContact CG-CB 4.19Å; E491-L494 PolarHBondContact O-N 3.1Å; E491-I495 WeakPolarHBondContact O-CD1 3.33Å; E491-I495 WeakPolarHBondContact O-CG1 2.97Å; E491-I495 PolarHBondContact O-N 3.25Å; E491-I513 HydrophobicContact CG-CG2 4.45Å; E491-R528 VanDerWaalsContact CD-NH2 3.31Å; E491-R528 PolarHBondContact N-O 3.17Å; E491-R528 IonicContact OE1-CZ 3.83Å; E491-R528 IonicContact OE1-NE 3.79Å; E491-R528 IonicContact OE1-NH2 2.92Å; E491-R528 PolarHBondContact OE1-NH2 3.09Å; E491-R528 IonicContact OE2-CZ 3.21Å; E491-R528 VanDerWaalsContact OE2-CZ 3.31Å; E491-R528 IonicContact OE2-NE 3.55Å; E491-R528 PolarHBondContact OE2-NE 3.24Å; E491-R528 IonicContact OE2-NH2 3.68Å; E491-R528 PolarHBondContact OE2-NH2 3.31Å; E491-R528 VanDerWaalsContact OE2-NH2 3.12Å; E491-L530 HydrophobicContact CG-CD1 3.96Å; E491-L530 HydrophobicContact CG-CD2 3.97Å; E491-L530 HydrophobicContact CG-CG 4.02Å
492S97.4Very high96.5Very high20 Ų2047 Ų4714%0.1426%0.264CS..Hα-helixtrans-64.4-43.7177-175.40000112.7R304 T490 L494 I495 T496R304-S492 WeakPolarHBondContact CB-OG 3.38Å; R304-S492 WeakPolarHBondContact CG-OG 3.37Å; T490-S492 PolarHBondContact O-N 2.99Å; S492-L494 VanDerWaalsContact C-N 3.35Å; S492-I495 PolarHBondContact O-N 3.4Å; S492-T496 PolarHBondContact O-N 2.61Å; S492-T496 VanDerWaalsContact O-N 3.08Å; S492-T496 PolarHBondContact O-OG1 2.8Å
493E98.1Very high96.4Very high68 Ų6841 Ų4132%0.31824%0.236SC..Hα-helixtrans-65.1-39.3172.6-71.5165.999.700111.4R227 L489 T490 T496 L497R227-E493 IonicContact CZ-OE1 2.66Å; R227-E493 IonicContact NH1-OE1 3.68Å; R227-E493 PolarHBondContact NH1-OE1 2.76Å; R227-E493 VanDerWaalsContact NH1-OE1 3.12Å; R227-E493 IonicContact NH2-OE1 3.35Å; R227-E493 PolarHBondContact NH2-OE1 2.83Å; R227-E493 VanDerWaalsContact NH2-OE1 3.14Å; L489-E493 HydrophobicContact CD2-CB 3.58Å; L489-E493 HydrophobicContact CD2-CG 4.44Å; T490-E493 PolarHBondContact N-OE2 3.04Å; T490-E493 PolarHBondContact O-N 3.14Å; T490-E493 WeakPolarHBondContact OG1-CG 3.48Å; T490-E493 PolarHBondContact OG1-N 2.88Å; T490-E493 VanDerWaalsContact OG1-N 3.16Å; T490-E493 PolarHBondContact OG1-OE2 2.99Å; E493-T496 WeakPolarHBondContact O-CB 3.49Å; E493-T496 PolarHBondContact O-N 3.01Å; E493-L497 WeakPolarHBondContact O-CG 3.49Å; E493-L497 PolarHBondContact O-N 2.9Å
494L98.5Very high96.2Very high0 Ų039.7 Ų39.70%023%0.227CC..Hα-helixtrans-64.7-42.8177.4-179.360.7000112.1T220 F223 L489 T490 E491 S492 T496 L497 M498 I513 I516 L530T220-L494 HydrophobicContact CG2-CD1 4.2Å; T220-L494 HydrophobicContact CG2-CD2 3.8Å; T220-L494 HydrophobicContact CG2-CG 4.29Å; F223-L494 HydrophobicContact CB-CD1 3.71Å; F223-L494 HydrophobicContact CD2-CD1 3.85Å; F223-L494 HydrophobicContact CG-CD1 4.21Å; L489-L494 HydrophobicContact CD1-CD1 4.37Å; T490-L494 PolarHBondContact O-N 3Å; E491-L494 PolarHBondContact O-N 3.1Å; S492-L494 VanDerWaalsContact C-N 3.35Å; L494-T496 VanDerWaalsContact C-N 3.25Å; L494-T496 PolarHBondContact O-N 3.44Å; L494-L497 PolarHBondContact O-N 2.86Å; L494-M498 HydrophobicContact CD1-CG 4.33Å; L494-M498 HydrophobicContact CG-SD 4.33Å; L494-M498 VanDerWaalsContact O-CG 3.31Å; L494-M498 WeakPolarHBondContact O-CG 3.47Å; L494-M498 PolarHBondContact O-N 3.06Å; L494-I513 HydrophobicContact CD2-CD1 4.02Å; L494-I513 HydrophobicContact CD2-CG1 3.81Å; L494-I513 HydrophobicContact CD2-CG2 4.45Å; L494-I513 HydrophobicContact CG-CD1 4.13Å; L494-I513 HydrophobicContact CG-CG1 4.31Å; L494-I516 HydrophobicContact CD2-CD1 4.3Å; L494-L530 HydrophobicContact CB-CD1 4.07Å; L494-L530 HydrophobicContact CD2-CD1 3.29Å; L494-L530 HydrophobicContact CG-CD1 4.33Å
495I97.9Very high95.9Very high0 Ų038.7 Ų38.70%021%0.21CC..Hα-helixtrans-55.8-45.6172.4-70.4160.6000109.9V300 M303 R304 P314 E491 S492 M498 E499 I509 I513V300-I495 HydrophobicContact CB-CG2 4.45Å; V300-I495 HydrophobicContact CG1-CG2 3.55Å; M303-I495 HydrophobicContact CB-CD1 3.7Å; M303-I495 HydrophobicContact CE-CG2 4.44Å; R304-I495 HydrophobicContact CG-CB 4.14Å; R304-I495 HydrophobicContact CG-CD1 4.3Å; R304-I495 HydrophobicContact CG-CG2 3.88Å; P314-I495 HydrophobicContact CB-CD1 4.2Å; P314-I495 HydrophobicContact CG-CD1 3.73Å; P314-I495 HydrophobicContact CG-CG1 4.45Å; E491-I495 WeakPolarHBondContact O-CD1 3.33Å; E491-I495 WeakPolarHBondContact O-CG1 2.97Å; E491-I495 PolarHBondContact O-N 3.25Å; S492-I495 PolarHBondContact O-N 3.4Å; I495-M498 PolarHBondContact O-N 3.3Å; I495-E499 WeakPolarHBondContact O-CB 3.27Å; I495-E499 PolarHBondContact O-N 2.91Å; I495-I509 HydrophobicContact CB-CG2 4.37Å; I495-I509 HydrophobicContact CG1-CG2 3.77Å; I495-I509 HydrophobicContact CG2-CD1 4.49Å; I495-I509 HydrophobicContact CG2-CG2 4.33Å; I495-I513 HydrophobicContact CG1-CD1 3.66Å
496T96.4Very high95.4Very high51 Ų5138.6 Ų38.631%0.31321%0.206SC..Hα-helixtrans-62.2-44179.3-54.40000111.6R304 S492 E493 L494 M498 E499 E500R304-T496 VanDerWaalsContact CD-OG1 3.23Å; R304-T496 WeakPolarHBondContact CD-OG1 3.18Å; R304-T496 PolarHBondContact NH1-OG1 3.31Å; S492-T496 PolarHBondContact O-N 2.61Å; S492-T496 VanDerWaalsContact O-N 3.08Å; S492-T496 PolarHBondContact O-OG1 2.8Å; E493-T496 WeakPolarHBondContact O-CB 3.49Å; E493-T496 PolarHBondContact O-N 3.01Å; L494-T496 VanDerWaalsContact C-N 3.25Å; L494-T496 PolarHBondContact O-N 3.44Å; T496-M498 PolarHBondContact O-N 2.82Å; T496-E499 PolarHBondContact O-N 3.02Å; T496-E500 VanDerWaalsContact O-CB 3.31Å; T496-E500 WeakPolarHBondContact O-CB 3.25Å; T496-E500 PolarHBondContact O-N 3.48Å
497L97.5Very high94.8Very high40 Ų4036.8 Ų36.821%0.20920%0.196CC..Hα-helixtrans-64.2-39.9176.8-75.4171.1000112.3F223 L489 E493 L494 H501F223-L497 HydrophobicContact CB-CD1 4.14Å; F223-L497 HydrophobicContact CD1-CB 4.35Å; F223-L497 HydrophobicContact CD1-CD1 4.15Å; F223-L497 HydrophobicContact CD2-CB 4.22Å; F223-L497 HydrophobicContact CE1-CB 4.38Å; F223-L497 HydrophobicContact CE2-CB 4.23Å; F223-L497 HydrophobicContact CG-CB 4.28Å; F223-L497 HydrophobicContact CG-CD1 4.17Å; F223-L497 HydrophobicContact CZ-CB 4.32Å; L489-L497 HydrophobicContact CD1-CD1 3.7Å; L489-L497 HydrophobicContact CD2-CD1 3.7Å; L489-L497 HydrophobicContact CG-CD1 4.41Å; E493-L497 WeakPolarHBondContact O-CG 3.49Å; E493-L497 PolarHBondContact O-N 2.9Å; L494-L497 PolarHBondContact O-N 2.86Å; L497-H501 WeakPolarHBondContact O-CB 3.46Å; L497-H501 PolarHBondContact O-N 3.19Å; L497-H501 PolarHBondContact O-ND1 3.04Å
498M97.6Very high94.5Very high0 Ų033.8 Ų33.80%018%0.181CC..Hα-helixtrans-65-43.9176.9-71.5-177.169.300111.8T220 F223 L494 I495 T496 H501 G502 I503 I509 H512 I513T220-M498 HydrophobicContact CG2-CE 4.36Å; T220-M498 HydrophobicContact CG2-SD 3.66Å; T220-M498 WeakPolarHBondContact OG1-CE 3.4Å; F223-M498 HydrophobicContact CD2-CG 4.49Å; F223-M498 HydrophobicContact CE2-CG 4.32Å; L494-M498 HydrophobicContact CD1-CG 4.33Å; L494-M498 HydrophobicContact CG-SD 4.33Å; L494-M498 VanDerWaalsContact O-CG 3.31Å; L494-M498 WeakPolarHBondContact O-CG 3.47Å; L494-M498 PolarHBondContact O-N 3.06Å; I495-M498 PolarHBondContact O-N 3.3Å; T496-M498 PolarHBondContact O-N 2.82Å; M498-H501 PolarHBondContact O-N 3.24Å; M498-G502 PolarHBondContact O-N 2.7Å; M498-I503 HydrophobicContact CB-CG1 4.06Å; M498-I503 HydrophobicContact CE-CD1 4.44Å; M498-I503 HydrophobicContact CE-CG1 4.26Å; M498-I503 HydrophobicContact CG-CD1 4.24Å; M498-I503 HydrophobicContact CG-CG1 4.09Å; M498-I503 PolarHBondContact O-N 2.9Å; M498-I509 HydrophobicContact CB-CD1 4.25Å; M498-I509 HydrophobicContact CB-CG1 3.94Å; M498-I509 HydrophobicContact CE-CB 4.26Å; M498-I509 HydrophobicContact CE-CG1 3.8Å; M498-I509 HydrophobicContact CE-CG2 4.45Å; M498-I509 HydrophobicContact SD-CG1 4.22Å; M498-I509 HydrophobicContact SD-CG2 4.1Å; M498-H512 HydrophobicContact CE-CB 4.03Å; M498-I513 HydrophobicContact SD-CD1 4.18Å; M498-I513 HydrophobicContact SD-CG1 3.91Å
499E94Very high94.4Very high82 Ų8232.5 Ų32.538%0.38318%0.177SC..Hα-helixtrans-61.1-49.1174.3-179.2179-137.400111.3V300 R304 I495 T496 H501 G502V300-E499 WeakPolarHBondContact CG1-OE2 3.19Å; R304-E499 IonicContact CZ-OE2 2.83Å; R304-E499 IonicContact NH1-OE2 2.67Å; R304-E499 PolarHBondContact NH1-OE2 3.36Å; R304-E499 IonicContact NH2-OE2 3.27Å; I495-E499 WeakPolarHBondContact O-CB 3.27Å; I495-E499 PolarHBondContact O-N 2.91Å; T496-E499 PolarHBondContact O-N 3.02Å; E499-H501 VanDerWaalsContact C-N 3.28Å; E499-H501 PolarHBondContact O-N 3.39Å; E499-G502 PolarHBondContact O-N 2.81Å; E499-G502 VanDerWaalsContact O-N 3.09Å
500E94.8Very high94.3Very high144 Ų14432.6 Ų32.667%0.67318%0.177SC*.Hα-helixtrans-59.5-37.4179.8-175.9-177.317700112.6T496T496-E500 VanDerWaalsContact O-CB 3.31Å; T496-E500 WeakPolarHBondContact O-CB 3.25Å; T496-E500 PolarHBondContact O-N 3.48Å
501H96.2Very high94.1Very high70 Ų7033.7 Ų33.732%0.32418%0.184SC..THydrogen-bonded Turntrans-91.62.8179.7-65.576.9000113.3F223 L497 M498 E499 I503 P553 T557F223-H501 AromaticContact CE1-CE1 3.88Å; F223-H501 AromaticContact CE1-ND1 3.9Å; F223-H501 HydrophobicContact CZ-CB 4.04Å; F223-H501 AromaticContact CZ-CG 3.67Å; F223-H501 AromaticContact CZ-ND1 3.6Å; L497-H501 WeakPolarHBondContact O-CB 3.46Å; L497-H501 PolarHBondContact O-N 3.19Å; L497-H501 PolarHBondContact O-ND1 3.04Å; M498-H501 PolarHBondContact O-N 3.24Å; E499-H501 VanDerWaalsContact C-N 3.28Å; E499-H501 PolarHBondContact O-N 3.39Å; H501-I503 PolarHBondContact O-N 2.97Å; H501-P553 HydrophobicContact CB-CB 3.99Å; H501-P553 HydrophobicContact CB-CG 3.94Å; H501-P553 VanDerWaalsContact CD2-CG 3.48Å; H501-P553 WeakPolarHBondContact CD2-CG 3.23Å; H501-T557 WeakPolarHBondContact O-CG2 3.2Å; H501-T557 PolarHBondContact O-OG1 3.02Å
502G93.8Very high94.1Very high24 Ų2434.4 Ų34.425%0.24719%0.187CC..THydrogen-bonded Turntrans62.438.617700000113.9M498 E499M498-G502 PolarHBondContact O-N 2.7Å; E499-G502 PolarHBondContact O-N 2.81Å; E499-G502 VanDerWaalsContact O-N 3.09Å
503I94.6Very high94.1Very high1 Ų133.6 Ų33.61%0.00518%0.181CC..  trans-116.8145.3172.867.8165.9000110.8P219 F223 M498 H501 P553 R556P219-I503 HydrophobicContact CB-CD1 3.96Å; F223-I503 HydrophobicContact CE2-CD1 3.89Å; M498-I503 HydrophobicContact CB-CG1 4.06Å; M498-I503 HydrophobicContact CE-CD1 4.44Å; M498-I503 HydrophobicContact CE-CG1 4.26Å; M498-I503 HydrophobicContact CG-CD1 4.24Å; M498-I503 HydrophobicContact CG-CG1 4.09Å; M498-I503 PolarHBondContact O-N 2.9Å; H501-I503 PolarHBondContact O-N 2.97Å; I503-P553 HydrophobicContact CD1-CB 4.19Å; I503-P553 HydrophobicContact CG2-CB 3.91Å; I503-R556 HydrophobicContact CB-CG 4.09Å; I503-R556 HydrophobicContact CG2-CB 3.85Å; I503-R556 HydrophobicContact CG2-CG 3.74Å
504G91.1Very high94Very high0 Ų032 Ų320%018%0.175CC..SBendtrans74.630.6-175.400000113.3S508 I509G504-S508 WeakPolarHBondContact CA-OG 3.41Å; G504-S508 PolarHBondContact O-N 3.22Å; G504-S508 PolarHBondContact O-OG 3.19Å; G504-S508 VanDerWaalsContact O-OG 3.08Å; G504-I509 WeakPolarHBondContact O-CG1 3.43Å; G504-I509 PolarHBondContact O-N 2.99Å
505T86.7Confident93.9Very high34 Ų3434.2 Ų34.221%0.20919%0.187CC..THydrogen-bonded Turntrans-60.5171.2175.753.70000111.8A507 S508T505-A507 VanDerWaalsContact C-N 3.32Å; T505-A507 PolarHBondContact O-N 3.07Å; T505-S508 WeakPolarHBondContact O-CB 3.37Å; T505-S508 PolarHBondContact O-N 2.94Å; T505-S508 PolarHBondContact O-OG 2.98Å
506D82.3Confident93.9Very high68 Ų6834.2 Ų34.236%0.36419%0.187SC..THydrogen-bonded Turntrans57.942.5179.8-54.9-51.3000112.9K120 S508K120-D506 VanDerWaalsContact CE-OD1 3.32Å; K120-D506 WeakPolarHBondContact CE-OD1 3.38Å; K120-D506 IonicContact NZ-OD1 2.68Å; K120-D506 PolarHBondContact NZ-OD1 3.47Å; K120-D506 IonicContact NZ-OD2 3.51Å; K120-D506 PolarHBondContact NZ-OD2 3.29Å; D506-S508 PolarHBondContact O-N 3.18Å
507A82.6Confident93.9Very high15 Ų1533.1 Ų33.112%0.12418%0.181CC..THydrogen-bonded Turntrans55.930.8-179.100000114.9T299 R334 T505 P510T299-A507 HydrophobicContact CG2-CB 4.15Å; R334-A507 HydrophobicContact CB-CB 3.93Å; R334-A507 HydrophobicContact CG-CB 3.77Å; T505-A507 VanDerWaalsContact C-N 3.32Å; T505-A507 PolarHBondContact O-N 3.07Å; A507-P510 WeakPolarHBondContact O-CD 3.3Å
508S90.6Very high93.7Very high19 Ų1937.7 Ų37.713%0.13320%0.201CC..THydrogen-bonded Turntrans-93.9-14.6178.8650000114.8G504 T505 D506 V511 H512G504-S508 WeakPolarHBondContact CA-OG 3.41Å; G504-S508 PolarHBondContact O-N 3.22Å; G504-S508 PolarHBondContact O-OG 3.19Å; G504-S508 VanDerWaalsContact O-OG 3.08Å; T505-S508 WeakPolarHBondContact O-CB 3.37Å; T505-S508 PolarHBondContact O-N 2.94Å; T505-S508 PolarHBondContact O-OG 2.98Å; D506-S508 PolarHBondContact O-N 3.18Å; S508-V511 WeakPolarHBondContact O-CB 2.92Å; S508-V511 PolarHBondContact O-N 2.94Å; S508-H512 PolarHBondContact O-CD2 3.45Å; S508-H512 VanDerWaalsContact O-CD2 3.27Å; S508-H512 PolarHBondContact O-N 3.37Å
509I96Very high93.5Very high9 Ų942.3 Ų42.35%0.04622%0.219CC..Hα-helixtrans-37-54.7168.3-76.5157.8000114.2V300 M303 I495 M498 G504 V511 H512 I513V300-I509 HydrophobicContact CG2-CD1 4.3Å; M303-I509 HydrophobicContact CE-CB 4.28Å; M303-I509 HydrophobicContact CE-CG2 4.14Å; I495-I509 HydrophobicContact CB-CG2 4.37Å; I495-I509 HydrophobicContact CG1-CG2 3.77Å; I495-I509 HydrophobicContact CG2-CD1 4.49Å; I495-I509 HydrophobicContact CG2-CG2 4.33Å; M498-I509 HydrophobicContact CB-CD1 4.25Å; M498-I509 HydrophobicContact CB-CG1 3.94Å; M498-I509 HydrophobicContact CE-CB 4.26Å; M498-I509 HydrophobicContact CE-CG1 3.8Å; M498-I509 HydrophobicContact CE-CG2 4.45Å; M498-I509 HydrophobicContact SD-CG1 4.22Å; M498-I509 HydrophobicContact SD-CG2 4.1Å; G504-I509 WeakPolarHBondContact O-CG1 3.43Å; G504-I509 PolarHBondContact O-N 2.99Å; I509-V511 PolarHBondContact O-N 2.92Å; I509-H512 PolarHBondContact O-N 2.99Å; I509-H512 VanDerWaalsContact O-N 3.16Å; I509-I513 HydrophobicContact CG2-CD1 3.73Å; I509-I513 HydrophobicContact CG2-CG1 4.36Å; I509-I513 WeakPolarHBondContact O-CG1 3.26Å; I509-I513 PolarHBondContact O-N 3.14Å
510P97Very high93.5Very high3 Ų341.4 Ų41.42%0.01922%0.216CC..Hα-helixtrans-63-30.1-174.923.6-34.6000112.9M303 P314 F315 M318 A507 N514M303-P510 HydrophobicContact SD-CB 3.81Å; M303-P510 HydrophobicContact SD-CG 3.73Å; P314-P510 HydrophobicContact CB-CB 3.98Å; F315-P510 HydrophobicContact CB-CB 4.47Å; M318-P510 HydrophobicContact CG-CB 4.32Å; M318-P510 HydrophobicContact CG-CG 3.96Å; A507-P510 WeakPolarHBondContact O-CD 3.3Å; P510-N514 WeakPolarHBondContact O-CB 3.29Å; P510-N514 PolarHBondContact O-N 3.3Å
511V95.7Very high93.7Very high55 Ų5534.7 Ų34.733%0.33319%0.185SC..Hα-helixtrans-69.3-46.3177178.80000110S508 I509 N514 N515S508-V511 WeakPolarHBondContact O-CB 2.92Å; S508-V511 PolarHBondContact O-N 2.94Å; I509-V511 PolarHBondContact O-N 2.92Å; V511-N514 PolarHBondContact O-N 2.97Å; V511-N515 WeakPolarHBondContact O-CB 3.06Å; V511-N515 PolarHBondContact O-N 2.78Å; V511-N515 PolarHBondContact O-OD1 2.88Å
512H96.6Very high93.8Very high20 Ų2031.5 Ų31.59%0.09317%0.17CC..Hα-helixtrans-67.5-40.3-178.6-61.4-51.2000112.8C216 M498 S508 I509 N515 I516C216-H512 PolarHBondContact SG-CD2 3.17Å; M498-H512 HydrophobicContact CE-CB 4.03Å; S508-H512 PolarHBondContact O-CD2 3.45Å; S508-H512 VanDerWaalsContact O-CD2 3.27Å; S508-H512 PolarHBondContact O-N 3.37Å; I509-H512 PolarHBondContact O-N 2.99Å; I509-H512 VanDerWaalsContact O-N 3.16Å; H512-N515 PolarHBondContact O-N 3.02Å; H512-I516 PolarHBondContact O-N 3.36Å
513I97.9Very high93.9Very high3 Ų334.9 Ų34.92%0.01518%0.179CC..Hα-helixtrans-62.8-46.7173.1-63.5178.8000110.2T220 P314 E491 L494 I495 M498 I509 N515 I516 C517T220-I513 HydrophobicContact CG2-CG1 4.19Å; P314-I513 HydrophobicContact CG-CD1 4.43Å; E491-I513 HydrophobicContact CG-CG2 4.45Å; L494-I513 HydrophobicContact CD2-CD1 4.02Å; L494-I513 HydrophobicContact CD2-CG1 3.81Å; L494-I513 HydrophobicContact CD2-CG2 4.45Å; L494-I513 HydrophobicContact CG-CD1 4.13Å; L494-I513 HydrophobicContact CG-CG1 4.31Å; I495-I513 HydrophobicContact CG1-CD1 3.66Å; M498-I513 HydrophobicContact SD-CD1 4.18Å; M498-I513 HydrophobicContact SD-CG1 3.91Å; I509-I513 HydrophobicContact CG2-CD1 3.73Å; I509-I513 HydrophobicContact CG2-CG1 4.36Å; I509-I513 WeakPolarHBondContact O-CG1 3.26Å; I509-I513 PolarHBondContact O-N 3.14Å; I513-N515 VanDerWaalsContact C-N 3.28Å; I513-N515 PolarHBondContact O-N 3.22Å; I513-I516 WeakPolarHBondContact O-CG1 3.35Å; I513-I516 PolarHBondContact O-N 3.06Å; I513-C517 PolarHBondContact O-N 2.82Å; I513-C517 PolarHBondContact O-SG 3.48Å; I513-C517 VanDerWaalsContact O-SG 3.35Å
514N97Very high94Very high34 Ų3438.5 Ų38.518%0.18220%0.198CC..Hα-helixtrans-62.5-35.4177.5178.970.9000112.3F315 P510 V511 C517 Q518F315-N514 HydrophobicContact CB-CB 3.88Å; F315-N514 HydrophobicContact CD2-CB 4.06Å; F315-N514 HydrophobicContact CG-CB 4.02Å; P510-N514 WeakPolarHBondContact O-CB 3.29Å; P510-N514 PolarHBondContact O-N 3.3Å; V511-N514 PolarHBondContact O-N 2.97Å; N514-C517 PolarHBondContact O-N 2.97Å; N514-Q518 PolarHBondContact ND2-NE2 3.13Å; N514-Q518 WeakPolarHBondContact O-CB 3.49Å; N514-Q518 WeakPolarHBondContact O-CG 3.41Å; N514-Q518 PolarHBondContact O-N 2.88Å
515N95.9Very high94.2Very high47 Ų4743.3 Ų43.325%0.25122%0.22SC..Hα-helixtrans-63.2-44.7178.1-73.3-5.3000112.3Q217 V511 H512 I513 C517 Q518 R519Q217-N515 HydrophobicContact CG-CB 4.3Å; V511-N515 WeakPolarHBondContact O-CB 3.06Å; V511-N515 PolarHBondContact O-N 2.78Å; V511-N515 PolarHBondContact O-OD1 2.88Å; H512-N515 PolarHBondContact O-N 3.02Å; I513-N515 VanDerWaalsContact C-N 3.28Å; I513-N515 PolarHBondContact O-N 3.22Å; N515-C517 VanDerWaalsContact C-N 3.28Å; N515-C517 PolarHBondContact O-N 2.94Å; N515-Q518 PolarHBondContact O-N 3.38Å; N515-R519 WeakPolarHBondContact O-CB 3.31Å; N515-R519 VanDerWaalsContact O-CG 3.24Å; N515-R519 WeakPolarHBondContact O-CG 3.41Å; N515-R519 PolarHBondContact O-N 3.17Å
516I98Very high94.5Very high0 Ų048.3 Ų48.30%025%0.246CC..Hα-helixtrans-66.3-31.7177.860.4164.3000112.3Q217 T220 L221 L494 H512 I513 N520 Y521 V522Q217-I516 HydrophobicContact CG-CG2 3.38Å; Q217-I516 WeakPolarHBondContact O-CG2 3.23Å; T220-I516 HydrophobicContact CG2-CD1 3.95Å; L221-I516 HydrophobicContact CB-CG2 4.07Å; L494-I516 HydrophobicContact CD2-CD1 4.3Å; H512-I516 PolarHBondContact O-N 3.36Å; I513-I516 WeakPolarHBondContact O-CG1 3.35Å; I513-I516 PolarHBondContact O-N 3.06Å; I516-N520 PolarHBondContact O-N 3.43Å; I516-Y521 HydrophobicContact CG2-CD2 4.49Å; I516-Y521 PolarHBondContact O-N 3.34Å; I516-V522 HydrophobicContact CB-CG2 4.37Å; I516-V522 HydrophobicContact CD1-CG1 4.17Å; I516-V522 HydrophobicContact CD1-CG2 3.84Å; I516-V522 HydrophobicContact CG1-CG2 3.91Å
517C96.4Very high95Very high28 Ų2847.8 Ų47.819%0.18926%0.257CS..Hα-helixtrans-69.8-49.3173.1-64.50000111.5I513 N514 N515 R519 N520 V522I513-C517 PolarHBondContact O-N 2.82Å; I513-C517 PolarHBondContact O-SG 3.48Å; I513-C517 VanDerWaalsContact O-SG 3.35Å; N514-C517 PolarHBondContact O-N 2.97Å; N515-C517 VanDerWaalsContact C-N 3.28Å; N515-C517 PolarHBondContact O-N 2.94Å; C517-R519 VanDerWaalsContact C-N 3.26Å; C517-R519 PolarHBondContact O-N 3.38Å; C517-N520 PolarHBondContact O-N 2.83Å; C517-V522 HydrophobicContact CB-CG2 4.5Å
518Q94Very high95.7Very high135 Ų13549.4 Ų49.463%0.63126%0.26SS*.Hα-helixtrans-63.9-31-179.8-75.2-173-6.700113N514 N515 N520N514-Q518 PolarHBondContact ND2-NE2 3.13Å; N514-Q518 WeakPolarHBondContact O-CB 3.49Å; N514-Q518 WeakPolarHBondContact O-CG 3.41Å; N514-Q518 PolarHBondContact O-N 2.88Å; N515-Q518 PolarHBondContact O-N 3.38Å; Q518-N520 PolarHBondContact O-N 2.86Å
519R92.6Very high96.1Very high98 Ų9851.1 Ų51.137%0.3727%0.265SS..THydrogen-bonded Turntrans-80.70.4175.1-68.6-68.4-175.1162.81.7114S209 N515 C517 Y521S209-R519 PolarHBondContact O-NH1 2.75Å; N515-R519 WeakPolarHBondContact O-CB 3.31Å; N515-R519 VanDerWaalsContact O-CG 3.24Å; N515-R519 WeakPolarHBondContact O-CG 3.41Å; N515-R519 PolarHBondContact O-N 3.17Å; C517-R519 VanDerWaalsContact C-N 3.26Å; C517-R519 PolarHBondContact O-N 3.38Å; R519-Y521 VanDerWaalsContact C-N 3.27Å; R519-Y521 HydrophobicContact CB-CD1 4.19Å; R519-Y521 HydrophobicContact CB-CD2 4.07Å; R519-Y521 HydrophobicContact CB-CE1 3.95Å; R519-Y521 HydrophobicContact CB-CE2 3.91Å; R519-Y521 HydrophobicContact CB-CG 4.21Å; R519-Y521 WeakPolarHBondContact O-CD1 3.28Å; R519-Y521 WeakPolarHBondContact O-CE1 3.15Å; R519-Y521 PolarHBondContact O-N 3.11Å
520N94.5Very high96.2Very high63 Ų6350.7 Ų50.734%0.33726%0.263SS..THydrogen-bonded Turntrans61.532.6179.1-154.559.7000113.8L210 I516 C517 Q518 H523 T533L210-N520 HydrophobicContact CD1-CB 4.36Å; I516-N520 PolarHBondContact O-N 3.43Å; C517-N520 PolarHBondContact O-N 2.83Å; Q518-N520 PolarHBondContact O-N 2.86Å; N520-H523 PolarHBondContact OD1-CE1 2.76Å; N520-H523 PolarHBondContact OD1-ND1 2.95Å; N520-T533 WeakPolarHBondContact O-CG2 3.45Å; N520-T533 PolarHBondContact O-OG1 3.44Å
521Y98Very high96.3Very high3 Ų354 Ų541%0.01228%0.279CS..SBendtrans-85.8-22.6173.4-59.8-19.3000112.2L210 S212 L221 I516 R519 P532 T533 L535 L539L210-Y521 WeakPolarHBondContact O-CE1 3.44Å; L210-Y521 PolarHBondContact O-OH 3.21Å; S212-Y521 WeakPolarHBondContact CA-OH 3.43Å; S212-Y521 PolarHBondContact N-OH 3.49Å; S212-Y521 PolarHBondContact O-OH 3.2Å; S212-Y521 PolarHBondContact OG-OH 2.86Å; L221-Y521 HydrophobicContact CD2-CD2 3.69Å; L221-Y521 HydrophobicContact CD2-CG 3.96Å; I516-Y521 HydrophobicContact CG2-CD2 4.49Å; I516-Y521 PolarHBondContact O-N 3.34Å; R519-Y521 VanDerWaalsContact C-N 3.27Å; R519-Y521 HydrophobicContact CB-CD1 4.19Å; R519-Y521 HydrophobicContact CB-CD2 4.07Å; R519-Y521 HydrophobicContact CB-CE1 3.95Å; R519-Y521 HydrophobicContact CB-CE2 3.91Å; R519-Y521 HydrophobicContact CB-CG 4.21Å; R519-Y521 WeakPolarHBondContact O-CD1 3.28Å; R519-Y521 WeakPolarHBondContact O-CE1 3.15Å; R519-Y521 PolarHBondContact O-N 3.11Å; Y521-P532 WeakPolarHBondContact O-CA 3.4Å; Y521-T533 PolarHBondContact O-N 2.67Å; Y521-T533 PolarHBondContact O-OG1 3.02Å; Y521-L535 HydrophobicContact CD1-CD2 4.18Å; Y521-L535 HydrophobicContact CD1-CG 4.26Å; Y521-L535 HydrophobicContact CE1-CD2 3.87Å; Y521-L535 HydrophobicContact CE1-CG 4.19Å; Y521-L539 HydrophobicContact CD1-CD1 4.13Å; Y521-L539 HydrophobicContact CE1-CD1 3.64Å; Y521-L539 HydrophobicContact CE2-CD1 4.23Å
522V98.2Very high96.4Very high2 Ų251.7 Ų51.71%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-135.8150.6171.6-62.30000109.4L221 C224 I516 C517 L530 M531L221-V522 HydrophobicContact CD1-CG1 3.71Å; C224-V522 HydrophobicContact CB-CG1 4.15Å; I516-V522 HydrophobicContact CB-CG2 4.37Å; I516-V522 HydrophobicContact CD1-CG1 4.17Å; I516-V522 HydrophobicContact CD1-CG2 3.84Å; I516-V522 HydrophobicContact CG1-CG2 3.91Å; C517-V522 HydrophobicContact CB-CG2 4.5Å; V522-L530 HydrophobicContact CB-CB 4.41Å; V522-L530 HydrophobicContact CG2-CD2 3.96Å; V522-M531 CarbonylContact C-O 3.19Å; V522-M531 VanDerWaalsContact CA-O 3.23Å; V522-M531 WeakPolarHBondContact CA-O 3.37Å
523H96.1Very high96.4Very high95 Ų9551.5 Ų51.544%0.4427%0.265SS..EExtended strand (participates in β ladder)trans-108.6150.2164.8-67.1-61.3000110.3N520 M531 T533N520-H523 PolarHBondContact OD1-CE1 2.76Å; N520-H523 PolarHBondContact OD1-ND1 2.95Å; H523-M531 PolarHBondContact N-O 3.19Å; H523-M531 PolarHBondContact O-N 2.95Å; H523-T533 WeakPolarHBondContact CD2-CG2 3.38Å; H523-T533 WeakPolarHBondContact NE2-CG2 3.39Å
524I96.7Very high96.2Very high77 Ų7755.3 Ų55.340%0.39529%0.288SS..EExtended strand (participates in β ladder)trans-92.1114.1176.4-58.2175.7000108.3R528 K529 L530I524-R528 HydrophobicContact CG2-CB 4.39Å; I524-K529 CarbonylContact C-O 3.57Å; I524-K529 WeakPolarHBondContact CA-O 3.43Å; I524-L530 HydrophobicContact CG1-CD2 4.05Å
525E95.1Very high96.1Very high101 Ų10154.4 Ų54.447%0.47228%0.284SS..EExtended strand (participates in β ladder)trans-95.6175.9176.5-84.2-67.7165.300112.1G527 R528 K529 M531E525-G527 PolarHBondContact O-N 3.34Å; E525-R528 WeakPolarHBondContact O-CA 3.37Å; E525-R528 PolarHBondContact O-N 3.24Å; E525-K529 HydrophobicContact CB-CB 4.22Å; E525-K529 PolarHBondContact N-O 3.32Å; E525-K529 PolarHBondContact O-N 3.49Å; E525-M531 HydrophobicContact CG-CB 4.24Å; E525-M531 HydrophobicContact CG-SD 4.47Å
526N92.9Very high96.2Very high139 Ų13952.1 Ų52.174%0.74327%0.272SS*.THydrogen-bonded Turntrans-52134.8175.8-75.8-28.8000112.2R528N526-R528 VanDerWaalsContact C-N 3.31Å
527G94.2Very high96.1Very high58 Ų5853.4 Ų53.460%0.59828%0.278SS*.THydrogen-bonded Turntrans77.815.7-172.300000114E525 K529E525-G527 PolarHBondContact O-N 3.34Å; G527-K529 VanDerWaalsContact C-N 3.29Å; G527-K529 PolarHBondContact O-N 2.9Å
528R96.8Very high96.1Very high48 Ų4852.4 Ų52.418%0.18127%0.271CS..THydrogen-bonded Turntrans58.938.4-179.4-53.8-163.765.577.918.6113.3S307 G311 G313 T490 E491 I524 E525 N526S307-R528 VanDerWaalsContact O-CD 3.27Å; S307-R528 WeakPolarHBondContact O-CD 3.46Å; S307-R528 WeakPolarHBondContact OG-CD 3.33Å; S307-R528 PolarHBondContact OG-NE 3.31Å; G311-R528 PolarHBondContact O-NH1 3Å; G313-R528 VanDerWaalsContact CA-CZ 3.5Å; T490-R528 WeakPolarHBondContact CA-O 3.49Å; E491-R528 VanDerWaalsContact CD-NH2 3.31Å; E491-R528 PolarHBondContact N-O 3.17Å; E491-R528 IonicContact OE1-CZ 3.83Å; E491-R528 IonicContact OE1-NE 3.79Å; E491-R528 IonicContact OE1-NH2 2.92Å; E491-R528 PolarHBondContact OE1-NH2 3.09Å; E491-R528 IonicContact OE2-CZ 3.21Å; E491-R528 VanDerWaalsContact OE2-CZ 3.31Å; E491-R528 IonicContact OE2-NE 3.55Å; E491-R528 PolarHBondContact OE2-NE 3.24Å; E491-R528 IonicContact OE2-NH2 3.68Å; E491-R528 PolarHBondContact OE2-NH2 3.31Å; E491-R528 VanDerWaalsContact OE2-NH2 3.12Å; I524-R528 HydrophobicContact CG2-CB 4.39Å; E525-R528 WeakPolarHBondContact O-CA 3.37Å; E525-R528 PolarHBondContact O-N 3.24Å; N526-R528 VanDerWaalsContact C-N 3.31Å
529K98.2Very high96.3Very high56 Ų5646 Ų4624%0.24324%0.241CC..EExtended strand (participates in β ladder)trans-80.6138.4175.7-62.4174.3-170.4173.80110.2D487 L489 T490 I524 E525 G527D487-K529 VanDerWaalsContact CG-NZ 3.26Å; D487-K529 WeakPolarHBondContact OD1-CD 3.42Å; D487-K529 IonicContact OD1-NZ 2.7Å; D487-K529 PolarHBondContact OD1-NZ 2.8Å; D487-K529 WeakPolarHBondContact OD2-CE 3.5Å; D487-K529 IonicContact OD2-NZ 3.04Å; D487-K529 PolarHBondContact OD2-NZ 2.87Å; L489-K529 CarbonylContact O-C 3.6Å; L489-K529 WeakPolarHBondContact O-CA 3.41Å; T490-K529 HydrophobicContact CG2-CG 4.06Å; I524-K529 CarbonylContact C-O 3.57Å; I524-K529 WeakPolarHBondContact CA-O 3.43Å; E525-K529 HydrophobicContact CB-CB 4.22Å; E525-K529 PolarHBondContact N-O 3.32Å; E525-K529 PolarHBondContact O-N 3.49Å; G527-K529 VanDerWaalsContact C-N 3.29Å; G527-K529 PolarHBondContact O-N 2.9Å
530L98.6Very high96.6Very high0 Ų041.4 Ų41.40%022%0.224CC..EExtended strand (participates in β ladder)trans-98.394.7-178.4-63.2167.7000108.7L489 E491 L494 V522 I524 P532L489-L530 PolarHBondContact O-N 2.9Å; E491-L530 HydrophobicContact CG-CD1 3.96Å; E491-L530 HydrophobicContact CG-CD2 3.97Å; E491-L530 HydrophobicContact CG-CG 4.02Å; L494-L530 HydrophobicContact CB-CD1 4.07Å; L494-L530 HydrophobicContact CD2-CD1 3.29Å; L494-L530 HydrophobicContact CG-CD1 4.33Å; V522-L530 HydrophobicContact CB-CB 4.41Å; V522-L530 HydrophobicContact CG2-CD2 3.96Å; I524-L530 HydrophobicContact CG1-CD2 4.05Å; L530-P532 WeakPolarHBondContact O-CD 3.27Å
531M98.2Very high96.7Very high72 Ų7241 Ų4136%0.35522%0.22SC..EExtended strand (participates in β ladder)trans-88.3118.3178-174.6174.8177.800109.7Y488 V522 H523 E525Y488-M531 HydrophobicContact CD2-CG 4.39Å; Y488-M531 HydrophobicContact CE1-CG 4.2Å; Y488-M531 HydrophobicContact CE2-CE 4.37Å; Y488-M531 HydrophobicContact CE2-CG 4.06Å; Y488-M531 HydrophobicContact CE2-SD 4.23Å; V522-M531 CarbonylContact C-O 3.19Å; V522-M531 VanDerWaalsContact CA-O 3.23Å; V522-M531 WeakPolarHBondContact CA-O 3.37Å; H523-M531 PolarHBondContact N-O 3.19Å; H523-M531 PolarHBondContact O-N 2.95Å; E525-M531 HydrophobicContact CG-CB 4.24Å; E525-M531 HydrophobicContact CG-SD 4.47Å
532P98.4Very high96.6Very high7 Ų740.9 Ų40.95%0.04522%0.219CC..EExtended strand (participates in β ladder)trans-59.1137.6175.6-26.137.7000112.6C224 V225 H228 Y521 L530 I537C224-P532 HydrophobicContact CB-CG 3.97Å; C224-P532 WeakPolarHBondContact O-CG 3.34Å; V225-P532 HydrophobicContact CG2-CB 3.99Å; V225-P532 HydrophobicContact CG2-CG 4.08Å; H228-P532 HydrophobicContact CB-CG 3.97Å; Y521-P532 WeakPolarHBondContact O-CA 3.4Å; L530-P532 WeakPolarHBondContact O-CD 3.27Å; P532-I537 HydrophobicContact CB-CD1 4.12Å; P532-I537 HydrophobicContact CB-CG1 3.59Å
533T96.4Very high96.6Very high16 Ų1640.9 Ų40.910%0.09822%0.219CC..PPolyproline II helixtrans-80.4164.5170.268.20000110.2N520 Y521 H523 L535 G536 I537N520-T533 WeakPolarHBondContact O-CG2 3.45Å; N520-T533 PolarHBondContact O-OG1 3.44Å; Y521-T533 PolarHBondContact O-N 2.67Å; Y521-T533 PolarHBondContact O-OG1 3.02Å; H523-T533 WeakPolarHBondContact CD2-CG2 3.38Å; H523-T533 WeakPolarHBondContact NE2-CG2 3.39Å; T533-L535 PolarHBondContact O-N 3.31Å; T533-G536 PolarHBondContact O-N 3.13Å; T533-G536 PolarHBondContact OG1-N 3.47Å; T533-I537 WeakPolarHBondContact O-CG1 3.38Å; T533-I537 PolarHBondContact O-N 3.42Å
534T93.7Very high96.7Very high82 Ų8239.4 Ų39.450%0.50321%0.212SC..Hα-helixtrans-51.5-44.8173.7-50.70000111.5G536 I537 V538 F606T534-G536 PolarHBondContact O-N 2.98Å; T534-I537 PolarHBondContact O-N 3.48Å; T534-V538 HydrophobicContact CG2-CG2 4.36Å; T534-V538 WeakPolarHBondContact O-CB 3.46Å; T534-V538 WeakPolarHBondContact O-CG2 3.43Å; T534-V538 PolarHBondContact O-N 3.05Å; T534-F606 HydrophobicContact CG2-CZ 4.26Å
535L95.1Very high96.6Very high15 Ų1541 Ų418%0.07922%0.217CC..Hα-helixtrans-62.2-44176.7179.958.9000112.1L206 L210 I211 Y521 T533 L539 F602 F606L206-L535 HydrophobicContact CD1-CD1 3.78Å; L210-L535 HydrophobicContact CB-CD2 3.97Å; I211-L535 HydrophobicContact CG1-CD1 4.2Å; Y521-L535 HydrophobicContact CD1-CD2 4.18Å; Y521-L535 HydrophobicContact CD1-CG 4.26Å; Y521-L535 HydrophobicContact CE1-CD2 3.87Å; Y521-L535 HydrophobicContact CE1-CG 4.19Å; T533-L535 PolarHBondContact O-N 3.31Å; L535-L539 HydrophobicContact CD1-CD1 3.95Å; L535-L539 HydrophobicContact CD1-CG 3.99Å; L535-L539 HydrophobicContact CG-CD1 3.91Å; L535-L539 HydrophobicContact CG-CG 4.4Å; L535-L539 WeakPolarHBondContact O-CB 3.2Å; L535-L539 VanDerWaalsContact O-CG 3.26Å; L535-L539 WeakPolarHBondContact O-CG 3.24Å; L535-L539 PolarHBondContact O-N 2.77Å; L535-F602 HydrophobicContact CD1-CE1 3.8Å; L535-F602 HydrophobicContact CD1-CZ 3.97Å; L535-F606 HydrophobicContact CB-CZ 4.24Å; L535-F606 HydrophobicContact CD1-CE2 4.48Å; L535-F606 HydrophobicContact CD1-CZ 4.22Å
536G97.3Very high96.7Very high0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-61.1-44.4178.700000112.8T533 T534 V540T533-G536 PolarHBondContact O-N 3.13Å; T533-G536 PolarHBondContact OG1-N 3.47Å; T534-G536 PolarHBondContact O-N 2.98Å; G536-V540 PolarHBondContact O-N 3.25Å; G536-V540 VanDerWaalsContact O-N 3.15Å
537I97.5Very high96.9Very high27 Ų2730.9 Ų30.914%0.13817%0.166CC..Hα-helixtrans-62-53.8177.9-64.6163.4000110.2V225 H228 P532 T533 T534 L539 V540 H541V225-I537 HydrophobicContact CG1-CG2 4.48Å; V225-I537 HydrophobicContact CG2-CG1 4.42Å; H228-I537 WeakPolarHBondContact NE2-CD1 3.44Å; P532-I537 HydrophobicContact CB-CD1 4.12Å; P532-I537 HydrophobicContact CB-CG1 3.59Å; T533-I537 WeakPolarHBondContact O-CG1 3.38Å; T533-I537 PolarHBondContact O-N 3.42Å; T534-I537 PolarHBondContact O-N 3.48Å; I537-L539 VanDerWaalsContact C-N 3.31Å; I537-L539 PolarHBondContact O-N 3.29Å; I537-V540 PolarHBondContact O-N 3.38Å; I537-H541 WeakPolarHBondContact CG2-CE1 3.5Å; I537-H541 PolarHBondContact O-N 2.99Å
538V95.8Very high97Very high7 Ų731.3 Ų31.34%0.04216%0.158CC..Hα-helixtrans-62.4-38.8-176.4175.50000111.6T534 G542 L601 F602 S605 F606T534-V538 HydrophobicContact CG2-CG2 4.36Å; T534-V538 WeakPolarHBondContact O-CB 3.46Å; T534-V538 WeakPolarHBondContact O-CG2 3.43Å; T534-V538 PolarHBondContact O-N 3.05Å; V538-G542 WeakPolarHBondContact O-CA 3.33Å; V538-G542 PolarHBondContact O-N 2.85Å; V538-L601 HydrophobicContact CG1-CB 3.98Å; V538-F602 HydrophobicContact CG1-CD1 4.37Å; V538-F602 HydrophobicContact CG1-CD2 3.37Å; V538-F602 HydrophobicContact CG1-CE1 4.47Å; V538-F602 HydrophobicContact CG1-CE2 3.51Å; V538-F602 HydrophobicContact CG1-CG 3.84Å; V538-F602 HydrophobicContact CG1-CZ 4.07Å; V538-S605 WeakPolarHBondContact CG2-OG 3.45Å; V538-F606 HydrophobicContact CG1-CE2 4.45Å; V538-F606 HydrophobicContact CG2-CE2 4.43Å
539L97.6Very high97Very high1 Ų132.6 Ų32.61%0.00517%0.166CC..Hα-helixtrans-60.3-52.9174.4-78.9171.9000111.2I211 Y521 L535 I537 G542 Y543 F602I211-L539 HydrophobicContact CG2-CD2 4.01Å; Y521-L539 HydrophobicContact CD1-CD1 4.13Å; Y521-L539 HydrophobicContact CE1-CD1 3.64Å; Y521-L539 HydrophobicContact CE2-CD1 4.23Å; L535-L539 HydrophobicContact CD1-CD1 3.95Å; L535-L539 HydrophobicContact CD1-CG 3.99Å; L535-L539 HydrophobicContact CG-CD1 3.91Å; L535-L539 HydrophobicContact CG-CG 4.4Å; L535-L539 WeakPolarHBondContact O-CB 3.2Å; L535-L539 VanDerWaalsContact O-CG 3.26Å; L535-L539 WeakPolarHBondContact O-CG 3.24Å; L535-L539 PolarHBondContact O-N 2.77Å; I537-L539 VanDerWaalsContact C-N 3.31Å; I537-L539 PolarHBondContact O-N 3.29Å; L539-G542 PolarHBondContact O-N 3.27Å; L539-Y543 HydrophobicContact CB-CD2 4.46Å; L539-Y543 HydrophobicContact CB-CE2 4.03Å; L539-Y543 HydrophobicContact CD2-CE2 4.23Å; L539-Y543 WeakPolarHBondContact O-CD2 3.47Å; L539-Y543 PolarHBondContact O-N 2.74Å; L539-F602 HydrophobicContact CD2-CE2 4.22Å; L539-F602 HydrophobicContact CD2-CZ 3.78Å; L539-F602 HydrophobicContact CG-CZ 4.16Å
540V98.4Very high97Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-61.1-49.1-179.11670000111.7L221 V225 G536 I537 G542 Y543 Q544 V551L221-V540 HydrophobicContact CB-CG2 4.28Å; L221-V540 HydrophobicContact CD2-CG2 3.7Å; L221-V540 HydrophobicContact CG-CG2 3.63Å; V225-V540 HydrophobicContact CB-CB 3.93Å; V225-V540 HydrophobicContact CB-CG1 3.8Å; V225-V540 HydrophobicContact CB-CG2 4.07Å; V225-V540 HydrophobicContact CG1-CB 3.89Å; V225-V540 HydrophobicContact CG1-CG1 3.71Å; V225-V540 HydrophobicContact CG2-CB 3.87Å; V225-V540 HydrophobicContact CG2-CG1 4.31Å; V225-V540 HydrophobicContact CG2-CG2 3.7Å; G536-V540 PolarHBondContact O-N 3.25Å; G536-V540 VanDerWaalsContact O-N 3.15Å; I537-V540 PolarHBondContact O-N 3.38Å; V540-G542 VanDerWaalsContact C-N 3.29Å; V540-G542 PolarHBondContact O-N 3.24Å; V540-Y543 PolarHBondContact O-N 3.23Å; V540-Q544 HydrophobicContact CG1-CG 4.35Å; V540-Q544 WeakPolarHBondContact O-CB 3.5Å; V540-Q544 WeakPolarHBondContact O-CG 3.26Å; V540-Q544 PolarHBondContact O-N 3.15Å; V540-V551 HydrophobicContact CG1-CG1 3.79Å; V540-V551 HydrophobicContact CG1-CG2 4.34Å
541H97.6Very high97Very high55 Ų5530.2 Ų30.226%0.25516%0.156SC..Hα-helixtrans-61.9-38.9178.3-68.8172.4000111.7D229 I537 Q544 K545 L601D229-H541 VanDerWaalsContact CG-NE2 3.25Å; D229-H541 IonicContact OD1-CE1 3.14Å; D229-H541 PolarHBondContact OD1-CE1 3.33Å; D229-H541 VanDerWaalsContact OD1-CE1 3.22Å; D229-H541 IonicContact OD1-NE2 2.77Å; D229-H541 PolarHBondContact OD1-NE2 2.92Å; D229-H541 IonicContact OD2-CD2 3.04Å; D229-H541 IonicContact OD2-CE1 3.06Å; D229-H541 IonicContact OD2-NE2 3.6Å; D229-H541 PolarHBondContact OD2-NE2 2.81Å; I537-H541 WeakPolarHBondContact CG2-CE1 3.5Å; I537-H541 PolarHBondContact O-N 2.99Å; H541-Q544 PolarHBondContact O-N 2.96Å; H541-K545 VanDerWaalsContact O-CB 3.26Å; H541-K545 WeakPolarHBondContact O-CB 3.5Å; H541-K545 PolarHBondContact O-N 2.99Å; H541-L601 HydrophobicContact CB-CD1 3.91Å
542G96Very high97Very high0 Ų030.8 Ų30.80%016%0.16CC..Hα-helixtrans-63.1-45.7175.400000112.6V538 L539 V540 K545 I546 M598V538-G542 WeakPolarHBondContact O-CA 3.33Å; V538-G542 PolarHBondContact O-N 2.85Å; L539-G542 PolarHBondContact O-N 3.27Å; V540-G542 VanDerWaalsContact C-N 3.29Å; V540-G542 PolarHBondContact O-N 3.24Å; G542-K545 PolarHBondContact O-N 3.18Å; G542-I546 WeakPolarHBondContact O-CG1 3.39Å; G542-I546 PolarHBondContact O-N 3.36Å; G542-M598 VanDerWaalsContact C-CE 3.42Å
543Y98.3Very high96.9Very high3 Ų331 Ų311%0.01216%0.161CC..Hα-helixtrans-62.4-46.6174.5-67.3-57000110.9Q195 Y213 T218 L539 V540 K545 I546 D547 L550 V551 F591 M598Q195-Y543 VanDerWaalsContact CD-OH 3.29Å; Q195-Y543 PolarHBondContact NE2-OH 2.77Å; Q195-Y543 PolarHBondContact OE1-OH 3.05Å; Y213-Y543 HydrophobicContact CD2-CD1 4.49Å; Y213-Y543 AromaticContact CD2-CE1 3.8Å; Y213-Y543 HydrophobicContact CD2-CE1 3.8Å; Y213-Y543 HydrophobicContact CD2-CE2 4.17Å; Y213-Y543 AromaticContact CD2-CZ 3.63Å; Y213-Y543 HydrophobicContact CE2-CE1 4.34Å; T218-Y543 HydrophobicContact CG2-CD2 3.75Å; T218-Y543 HydrophobicContact CG2-CE2 3.93Å; L539-Y543 HydrophobicContact CB-CD2 4.46Å; L539-Y543 HydrophobicContact CB-CE2 4.03Å; L539-Y543 HydrophobicContact CD2-CE2 4.23Å; L539-Y543 WeakPolarHBondContact O-CD2 3.47Å; L539-Y543 PolarHBondContact O-N 2.74Å; V540-Y543 PolarHBondContact O-N 3.23Å; Y543-K545 VanDerWaalsContact C-N 3.33Å; Y543-K545 PolarHBondContact O-N 3.04Å; Y543-I546 PolarHBondContact O-N 3.38Å; Y543-I546 VanDerWaalsContact O-N 3.16Å; Y543-D547 CarbonylContact O-C 3.45Å; Y543-D547 VanDerWaalsContact O-C 3.27Å; Y543-D547 PolarHBondContact O-N 3.44Å; Y543-D547 VanDerWaalsContact O-O 3.06Å; Y543-L550 HydrophobicContact CD1-CD1 4.24Å; Y543-V551 VanDerWaalsContact CB-CG2 3.48Å; Y543-V551 HydrophobicContact CD2-CG2 4.39Å; Y543-V551 HydrophobicContact CG-CG2 4.36Å; Y543-F591 HydrophobicContact CD1-CD2 4.23Å; Y543-F591 AromaticContact CD1-CE2 3.53Å; Y543-F591 HydrophobicContact CD1-CE2 3.53Å; Y543-F591 HydrophobicContact CD1-CZ 4.17Å; Y543-F591 AromaticContact CE1-CE2 3.64Å; Y543-F591 HydrophobicContact CE1-CE2 3.64Å; Y543-F591 AromaticContact CE1-CZ 3.8Å; Y543-F591 HydrophobicContact CE1-CZ 3.8Å; Y543-M598 HydrophobicContact CD1-CE 3.55Å; Y543-M598 HydrophobicContact CD2-CE 4.19Å; Y543-M598 HydrophobicContact CE1-CE 3.71Å; Y543-M598 HydrophobicContact CE2-CE 4.33Å; Y543-M598 HydrophobicContact CG-CE 3.79Å; Y543-M598 VanDerWaalsContact N-CE 3.29Å
544Q97.4Very high96.9Very high63 Ų6334.6 Ų34.629%0.29418%0.184SC..Hα-helixtrans-61.8-38.5179.6-75.5172.8-29.900113.1V540 H541 I546 P548 V551V540-Q544 HydrophobicContact CG1-CG 4.35Å; V540-Q544 WeakPolarHBondContact O-CB 3.5Å; V540-Q544 WeakPolarHBondContact O-CG 3.26Å; V540-Q544 PolarHBondContact O-N 3.15Å; H541-Q544 PolarHBondContact O-N 2.96Å; Q544-I546 PolarHBondContact O-N 2.87Å; Q544-P548 WeakPolarHBondContact O-CD 3.34Å; Q544-P548 WeakPolarHBondContact O-CG 3.44Å; Q544-V551 HydrophobicContact CG-CB 3.94Å; Q544-V551 HydrophobicContact CG-CG1 4.19Å; Q544-V551 HydrophobicContact CG-CG2 3.85Å
545K94.7Very high96.9Very high112 Ų11232.4 Ų32.449%0.48717%0.168SC..Hα-helixtrans-65.3-31.6177.9-172.8175.8172-169.40112H541 G542 Y543 S597 L601H541-K545 VanDerWaalsContact O-CB 3.26Å; H541-K545 WeakPolarHBondContact O-CB 3.5Å; H541-K545 PolarHBondContact O-N 2.99Å; G542-K545 PolarHBondContact O-N 3.18Å; Y543-K545 VanDerWaalsContact C-N 3.33Å; Y543-K545 PolarHBondContact O-N 3.04Å; K545-S597 WeakPolarHBondContact CD-O 2.85Å; K545-S597 PolarHBondContact NZ-O 3.32Å; K545-L601 HydrophobicContact CD-CD1 4.29Å
546I97.3Very high96.9Very high8 Ų831.9 Ų31.94%0.04117%0.165CC..Hα-helixtrans-84-65.4176.2-65.1169.5000109.8G542 Y543 Q544 Y590 F591 N594 M598G542-I546 WeakPolarHBondContact O-CG1 3.39Å; G542-I546 PolarHBondContact O-N 3.36Å; Y543-I546 PolarHBondContact O-N 3.38Å; Y543-I546 VanDerWaalsContact O-N 3.16Å; Q544-I546 PolarHBondContact O-N 2.87Å; I546-Y590 HydrophobicContact CG2-CD1 4Å; I546-Y590 HydrophobicContact CG2-CE1 3.89Å; I546-Y590 VanDerWaalsContact O-CE1 3.3Å; I546-Y590 WeakPolarHBondContact O-CE1 3.37Å; I546-F591 HydrophobicContact CB-CD2 4.45Å; I546-F591 HydrophobicContact CD1-CD2 3.76Å; I546-F591 HydrophobicContact CD1-CE2 3.67Å; I546-F591 HydrophobicContact CG2-CB 4.49Å; I546-F591 HydrophobicContact CG2-CD2 4.04Å; I546-N594 WeakPolarHBondContact CD1-O 3.48Å; I546-N594 HydrophobicContact CG1-CB 4.32Å; I546-N594 HydrophobicContact CG2-CB 4.06Å; I546-M598 HydrophobicContact CD1-CB 3.85Å
547D97.5Very high96.8Very high19 Ų1934.1 Ų34.110%0.10218%0.179CC..  trans-143.4102.9-177.5-179.71.8000110.6Y543 E549 L550 K587 Y590Y543-D547 CarbonylContact O-C 3.45Å; Y543-D547 VanDerWaalsContact O-C 3.27Å; Y543-D547 PolarHBondContact O-N 3.44Å; Y543-D547 VanDerWaalsContact O-O 3.06Å; D547-E549 PolarHBondContact O-N 3.48Å; D547-E549 VanDerWaalsContact O-N 3.12Å; D547-E549 WeakPolarHBondContact OD1-CB 3.4Å; D547-E549 PolarHBondContact OD1-N 2.76Å; D547-E549 VanDerWaalsContact OD1-N 3.07Å; D547-L550 HydrophobicContact CB-CD1 3.99Å; D547-L550 HydrophobicContact CB-CG 4.02Å; D547-L550 WeakPolarHBondContact O-CB 3.42Å; D547-L550 PolarHBondContact O-N 2.49Å; D547-L550 VanDerWaalsContact O-N 3.08Å; D547-K587 IonicContact OD1-NZ 2.73Å; D547-K587 PolarHBondContact OD1-NZ 3.04Å; D547-K587 WeakPolarHBondContact OD2-CD 3.28Å; D547-K587 IonicContact OD2-NZ 2.76Å; D547-K587 PolarHBondContact OD2-NZ 3.37Å; D547-Y590 HydrophobicContact CB-CD1 4.47Å
548P97Very high96.7Very high67 Ų6735.5 Ų35.544%0.43519%0.185SC..G310 helixtrans-54.6-29.3178.6-26.233.7000114.8Q544 L550 V551 L552Q544-P548 WeakPolarHBondContact O-CD 3.34Å; Q544-P548 WeakPolarHBondContact O-CG 3.44Å; P548-L550 PolarHBondContact O-N 3.41Å; P548-V551 PolarHBondContact O-N 3.27Å; P548-L552 HydrophobicContact CB-CD1 4.25Å; P548-L552 WeakPolarHBondContact O-CG 3.42Å; P548-L552 PolarHBondContact O-N 2.86Å
549E97Very high96.6Very high75 Ų7535.5 Ų35.535%0.3518%0.184SC..G310 helixtrans-70.4-12.6-178.8-66.1-175.1166.400113.2D547 M555 K587D547-E549 PolarHBondContact O-N 3.48Å; D547-E549 VanDerWaalsContact O-N 3.12Å; D547-E549 WeakPolarHBondContact OD1-CB 3.4Å; D547-E549 PolarHBondContact OD1-N 2.76Å; D547-E549 VanDerWaalsContact OD1-N 3.07Å; E549-M555 HydrophobicContact CB-CG 3.93Å; E549-K587 WeakPolarHBondContact OE2-CE 3.47Å; E549-K587 IonicContact OE2-NZ 2.9Å; E549-K587 PolarHBondContact OE2-NZ 2.7Å
550L97.2Very high96.4Very high1 Ų135.7 Ų35.71%0.00519%0.185CC..G310 helixtrans-74.1-17.3171.3-65.1177.3000112.9F191 Y213 T218 Y543 D547 P548 K587 F591F191-L550 HydrophobicContact CE1-CD1 4.03Å; F191-L550 HydrophobicContact CE1-CD2 4.27Å; F191-L550 HydrophobicContact CZ-CD2 4.01Å; Y213-L550 HydrophobicContact CE2-CB 4.29Å; Y213-L550 WeakPolarHBondContact OH-CD2 3.49Å; T218-L550 WeakPolarHBondContact CG2-O 3.45Å; Y543-L550 HydrophobicContact CD1-CD1 4.24Å; D547-L550 HydrophobicContact CB-CD1 3.99Å; D547-L550 HydrophobicContact CB-CG 4.02Å; D547-L550 WeakPolarHBondContact O-CB 3.42Å; D547-L550 PolarHBondContact O-N 2.49Å; D547-L550 VanDerWaalsContact O-N 3.08Å; P548-L550 PolarHBondContact O-N 3.41Å; L550-K587 HydrophobicContact CD2-CB 4.3Å; L550-K587 HydrophobicContact CD2-CD 4.05Å; L550-F591 HydrophobicContact CD1-CD2 4.07Å
551V98.4Very high96.2Very high5 Ų541.6 Ų41.63%0.0321%0.208CC..THydrogen-bonded Turntrans-113.4-37.4-179.6179.90000111.5T218 P219 V540 Y543 Q544 P548T218-V551 HydrophobicContact CG2-CG2 4.11Å; P219-V551 WeakPolarHBondContact CA-O 3.4Å; P219-V551 WeakPolarHBondContact CB-O 3.42Å; V540-V551 HydrophobicContact CG1-CG1 3.79Å; V540-V551 HydrophobicContact CG1-CG2 4.34Å; Y543-V551 VanDerWaalsContact CB-CG2 3.48Å; Y543-V551 HydrophobicContact CD2-CG2 4.39Å; Y543-V551 HydrophobicContact CG-CG2 4.36Å; Q544-V551 HydrophobicContact CG-CB 3.94Å; Q544-V551 HydrophobicContact CG-CG1 4.19Å; Q544-V551 HydrophobicContact CG-CG2 3.85Å; P548-V551 PolarHBondContact O-N 3.27Å
552L97.8Very high96.1Very high83 Ų8339.9 Ų39.944%0.43520%0.2SC..SBendtrans-61.9139.6175.3-67.3172.1000110.1P548 T554P548-L552 HydrophobicContact CB-CD1 4.25Å; P548-L552 WeakPolarHBondContact O-CG 3.42Å; P548-L552 PolarHBondContact O-N 2.86Å; L552-T554 PolarHBondContact O-N 2.97Å; L552-T554 VanDerWaalsContact O-N 3.16Å
553P97.3Very high96.1Very high12 Ų1240.2 Ų40.28%0.07820%0.202CC..THydrogen-bonded Turntrans-66.7-18.5-176.727.8-35.8000113.1P219 F223 H501 I503 M555 R556 T557P219-P553 HydrophobicContact CB-CB 4.41Å; F223-P553 HydrophobicContact CE1-CG 4.33Å; F223-P553 HydrophobicContact CZ-CB 4.17Å; F223-P553 HydrophobicContact CZ-CG 3.9Å; H501-P553 HydrophobicContact CB-CB 3.99Å; H501-P553 HydrophobicContact CB-CG 3.94Å; H501-P553 VanDerWaalsContact CD2-CG 3.48Å; H501-P553 WeakPolarHBondContact CD2-CG 3.23Å; I503-P553 HydrophobicContact CD1-CB 4.19Å; I503-P553 HydrophobicContact CG2-CB 3.91Å; P553-M555 VanDerWaalsContact C-N 3.34Å; P553-M555 PolarHBondContact O-N 3.31Å; P553-R556 CarbonylContact O-C 3.55Å; P553-R556 WeakPolarHBondContact O-CA 3.16Å; P553-R556 WeakPolarHBondContact O-CB 3.26Å; P553-R556 PolarHBondContact O-N 3.29Å; P553-T557 PolarHBondContact O-N 2.84Å; P553-T557 PolarHBondContact O-OG1 2.81Å; P553-T557 VanDerWaalsContact O-OG1 3.04Å
554T95.9Very high95.9Very high92 Ų9242.3 Ų42.356%0.56422%0.215SC*.Hα-helixtrans-48.2-48-172.1-44.50000114.1L552 R556 T557 E558L552-T554 PolarHBondContact O-N 2.97Å; L552-T554 VanDerWaalsContact O-N 3.16Å; T554-R556 VanDerWaalsContact C-N 3.33Å; T554-R556 PolarHBondContact O-N 2.88Å; T554-T557 PolarHBondContact O-N 3.4Å; T554-E558 PolarHBondContact O-N 3.46Å; T554-E558 VanDerWaalsContact O-N 3.12Å
555M93.7Very high95.9Very high35 Ų3541.5 Ų41.517%0.17221%0.212CC..Hα-helixtrans-64.6-38.9178.8-80.9-63.3-56.500112E549 P553 V559 I583 F584E549-M555 HydrophobicContact CB-CG 3.93Å; P553-M555 VanDerWaalsContact C-N 3.34Å; P553-M555 PolarHBondContact O-N 3.31Å; M555-V559 WeakPolarHBondContact O-CG2 3.32Å; M555-V559 PolarHBondContact O-N 2.95Å; M555-I583 HydrophobicContact CE-CG2 3.54Å; M555-F584 HydrophobicContact CB-CZ 4.5Å; M555-F584 HydrophobicContact CE-CE2 3.98Å; M555-F584 HydrophobicContact CE-CZ 4.12Å
556R95.1Very high96Very high5 Ų536.2 Ų36.22%0.01919%0.19CC..Hα-helixtrans-71.4-43.3178.4-18058-174.1-1642.2110.9D184 C216 I503 P553 T554 E558 V559 E560D184-R556 IonicContact OD1-CZ 3.93Å; D184-R556 IonicContact OD1-NH1 2.64Å; D184-R556 PolarHBondContact OD1-NH1 3.45Å; D184-R556 IonicContact OD1-NH2 3.9Å; C216-R556 HydrophobicContact CB-CG 4.08Å; I503-R556 HydrophobicContact CB-CG 4.09Å; I503-R556 HydrophobicContact CG2-CB 3.85Å; I503-R556 HydrophobicContact CG2-CG 3.74Å; P553-R556 CarbonylContact O-C 3.55Å; P553-R556 WeakPolarHBondContact O-CA 3.16Å; P553-R556 WeakPolarHBondContact O-CB 3.26Å; P553-R556 PolarHBondContact O-N 3.29Å; T554-R556 VanDerWaalsContact C-N 3.33Å; T554-R556 PolarHBondContact O-N 2.88Å; R556-E558 PolarHBondContact O-N 3.14Å; R556-V559 WeakPolarHBondContact O-CA 3.23Å; R556-V559 WeakPolarHBondContact O-CB 2.98Å; R556-V559 PolarHBondContact O-N 2.9Å; R556-E560 HydrophobicContact CG-CG 4.28Å; R556-E560 IonicContact CZ-OE1 3.4Å; R556-E560 IonicContact CZ-OE2 3.69Å; R556-E560 VanDerWaalsContact NE-CD 3.34Å; R556-E560 IonicContact NE-OE1 2.69Å; R556-E560 PolarHBondContact NE-OE1 2.87Å; R556-E560 VanDerWaalsContact NH2-CD 3.33Å; R556-E560 IonicContact NH2-OE1 2.75Å; R556-E560 PolarHBondContact NH2-OE1 3.48Å; R556-E560 IonicContact NH2-OE2 3.97Å; R556-E560 PolarHBondContact NH2-OE2 3.14Å; R556-E560 WeakPolarHBondContact O-CG 3.46Å; R556-E560 PolarHBondContact O-N 2.94Å
557T96Very high95.9Very high47 Ų4736.2 Ų36.229%0.28819%0.191SC..Hα-helixtrans-53.6-44.5175.7-49.80000111.2H501 P553 T554 V559 E560 R561H501-T557 WeakPolarHBondContact O-CG2 3.2Å; H501-T557 PolarHBondContact O-OG1 3.02Å; P553-T557 PolarHBondContact O-N 2.84Å; P553-T557 PolarHBondContact O-OG1 2.81Å; P553-T557 VanDerWaalsContact O-OG1 3.04Å; T554-T557 PolarHBondContact O-N 3.4Å; T557-V559 PolarHBondContact O-N 2.72Å; T557-E560 PolarHBondContact O-N 3Å; T557-R561 WeakPolarHBondContact O-CB 3.49Å; T557-R561 PolarHBondContact O-N 3.13Å
558E95Very high95.8Very high56 Ų5641.5 Ų41.526%0.26222%0.215SC..Hα-helixtrans-66.7-37.1178.6-176.755.7-162.500112.4T554 R556 R561 M562T554-E558 PolarHBondContact O-N 3.46Å; T554-E558 VanDerWaalsContact O-N 3.12Å; R556-E558 PolarHBondContact O-N 3.14Å; E558-R561 PolarHBondContact O-N 3.35Å; E558-R561 IonicContact OE1-CZ 3.4Å; E558-R561 IonicContact OE1-NE 2.73Å; E558-R561 PolarHBondContact OE1-NE 2.92Å; E558-R561 IonicContact OE1-NH2 3.89Å; E558-R561 PolarHBondContact OE1-NH2 3.36Å; E558-R561 IonicContact OE2-CZ 3.22Å; E558-R561 IonicContact OE2-NE 3Å; E558-R561 PolarHBondContact OE2-NE 3.44Å; E558-R561 IonicContact OE2-NH2 2.92Å; E558-M562 HydrophobicContact CG-CE 4.34Å; E558-M562 WeakPolarHBondContact O-CG 2.89Å; E558-M562 PolarHBondContact O-N 2.94Å
559V93.9Very high95.8Very high6 Ų640.2 Ų40.24%0.03621%0.214CC..Hα-helixtrans-62.2-49.6171.8171.60000111.2L183 M555 R556 T557 R561 M562 L563 F584L183-V559 HydrophobicContact CD1-CG1 3.77Å; M555-V559 WeakPolarHBondContact O-CG2 3.32Å; M555-V559 PolarHBondContact O-N 2.95Å; R556-V559 WeakPolarHBondContact O-CA 3.23Å; R556-V559 WeakPolarHBondContact O-CB 2.98Å; R556-V559 PolarHBondContact O-N 2.9Å; T557-V559 PolarHBondContact O-N 2.72Å; V559-R561 VanDerWaalsContact C-N 3.26Å; V559-R561 PolarHBondContact O-N 3.34Å; V559-M562 HydrophobicContact CG2-CE 4.08Å; V559-M562 PolarHBondContact O-N 3.18Å; V559-M562 VanDerWaalsContact O-N 3.12Å; V559-L563 HydrophobicContact CG1-CD1 4.09Å; V559-L563 HydrophobicContact CG1-CG 4.3Å; V559-L563 VanDerWaalsContact O-CG 3.29Å; V559-L563 WeakPolarHBondContact O-CG 3.49Å; V559-L563 PolarHBondContact O-N 2.83Å; V559-F584 HydrophobicContact CG2-CE2 4.17Å
560E93.2Very high95.8Very high6 Ų640.8 Ų40.83%0.02823%0.226CC..Hα-helixtrans-59-38.5178.4-60.2-70.8-16700111.7R556 T557 L563 T564R556-E560 HydrophobicContact CG-CG 4.28Å; R556-E560 IonicContact CZ-OE1 3.4Å; R556-E560 IonicContact CZ-OE2 3.69Å; R556-E560 VanDerWaalsContact NE-CD 3.34Å; R556-E560 IonicContact NE-OE1 2.69Å; R556-E560 PolarHBondContact NE-OE1 2.87Å; R556-E560 VanDerWaalsContact NH2-CD 3.33Å; R556-E560 IonicContact NH2-OE1 2.75Å; R556-E560 PolarHBondContact NH2-OE1 3.48Å; R556-E560 IonicContact NH2-OE2 3.97Å; R556-E560 PolarHBondContact NH2-OE2 3.14Å; R556-E560 WeakPolarHBondContact O-CG 3.46Å; R556-E560 PolarHBondContact O-N 2.94Å; T557-E560 PolarHBondContact O-N 3Å; E560-L563 PolarHBondContact O-N 3.21Å; E560-T564 PolarHBondContact O-N 3.39Å; E560-T564 PolarHBondContact O-OG1 3.23Å
561R94.6Very high95.8Very high123 Ų12342.1 Ų42.146%0.46424%0.237SC..Hα-helixtrans-62.7-46.9174.6-167.3-169.672.779.12.7111.6T557 E558 V559 L563 T564 L565T557-R561 WeakPolarHBondContact O-CB 3.49Å; T557-R561 PolarHBondContact O-N 3.13Å; E558-R561 PolarHBondContact O-N 3.35Å; E558-R561 IonicContact OE1-CZ 3.4Å; E558-R561 IonicContact OE1-NE 2.73Å; E558-R561 PolarHBondContact OE1-NE 2.92Å; E558-R561 IonicContact OE1-NH2 3.89Å; E558-R561 PolarHBondContact OE1-NH2 3.36Å; E558-R561 IonicContact OE2-CZ 3.22Å; E558-R561 IonicContact OE2-NE 3Å; E558-R561 PolarHBondContact OE2-NE 3.44Å; E558-R561 IonicContact OE2-NH2 2.92Å; V559-R561 VanDerWaalsContact C-N 3.26Å; V559-R561 PolarHBondContact O-N 3.34Å; R561-L563 VanDerWaalsContact C-N 3.32Å; R561-L563 PolarHBondContact O-N 3.19Å; R561-T564 WeakPolarHBondContact O-CB 3.48Å; R561-T564 PolarHBondContact O-N 2.94Å; R561-L565 PolarHBondContact O-N 2.75Å
562M95.6Very high95.8Very high19 Ų1946.1 Ų46.19%0.09426%0.259CS..Hα-helixtrans-62.7-38.4176.1-71.5-173.6-70.300112.2E558 V559 T564 L565 I566 V576 A580E558-M562 HydrophobicContact CG-CE 4.34Å; E558-M562 WeakPolarHBondContact O-CG 2.89Å; E558-M562 PolarHBondContact O-N 2.94Å; V559-M562 HydrophobicContact CG2-CE 4.08Å; V559-M562 PolarHBondContact O-N 3.18Å; V559-M562 VanDerWaalsContact O-N 3.12Å; M562-T564 VanDerWaalsContact C-N 3.32Å; M562-T564 PolarHBondContact O-N 3.45Å; M562-L565 WeakPolarHBondContact O-CB 3.31Å; M562-L565 PolarHBondContact O-N 3.22Å; M562-I566 WeakPolarHBondContact O-CG1 3.39Å; M562-I566 PolarHBondContact O-N 3.27Å; M562-V576 HydrophobicContact CB-CG1 3.74Å; M562-V576 HydrophobicContact CB-CG2 4.25Å; M562-V576 HydrophobicContact SD-CG1 4.21Å; M562-A580 HydrophobicContact CE-CB 4.46Å
563L95.3Very high95.6Very high8 Ų843.8 Ų43.84%0.04225%0.245CC..Hα-helixtrans-62.8-40.2174.8-65.6174.8000111.5S176 A179 R180 L183 V559 E560 R561 L565 I566 A567S176-L563 WeakPolarHBondContact CB-O 3.4Å; A179-L563 HydrophobicContact CB-CD2 3.5Å; R180-L563 HydrophobicContact CB-CD1 3.73Å; R180-L563 HydrophobicContact CB-CD2 4.36Å; R180-L563 HydrophobicContact CG-CD1 3.89Å; L183-L563 HydrophobicContact CD1-CD2 4.48Å; V559-L563 HydrophobicContact CG1-CD1 4.09Å; V559-L563 HydrophobicContact CG1-CG 4.3Å; V559-L563 VanDerWaalsContact O-CG 3.29Å; V559-L563 WeakPolarHBondContact O-CG 3.49Å; V559-L563 PolarHBondContact O-N 2.83Å; E560-L563 PolarHBondContact O-N 3.21Å; R561-L563 VanDerWaalsContact C-N 3.32Å; R561-L563 PolarHBondContact O-N 3.19Å; L563-L565 VanDerWaalsContact C-N 3.33Å; L563-L565 PolarHBondContact O-N 3.32Å; L563-I566 HydrophobicContact CD2-CD1 4.21Å; L563-I566 WeakPolarHBondContact O-CB 3.48Å; L563-I566 PolarHBondContact O-N 3.38Å; L563-A567 PolarHBondContact O-N 3.42Å
564T93.8Very high95.6Very high47 Ų4748 Ų4829%0.28826%0.264SS..Hα-helixtrans-62.7-39.3174.2-59.30000111.8E560 R561 M562 I566 A567 Q568E560-T564 PolarHBondContact O-N 3.39Å; E560-T564 PolarHBondContact O-OG1 3.23Å; R561-T564 WeakPolarHBondContact O-CB 3.48Å; R561-T564 PolarHBondContact O-N 2.94Å; M562-T564 VanDerWaalsContact C-N 3.32Å; M562-T564 PolarHBondContact O-N 3.45Å; T564-I566 VanDerWaalsContact C-N 3.32Å; T564-I566 PolarHBondContact O-N 3.26Å; T564-A567 WeakPolarHBondContact O-CB 3.49Å; T564-A567 PolarHBondContact O-N 2.91Å; T564-Q568 WeakPolarHBondContact O-CG 3.06Å; T564-Q568 PolarHBondContact O-N 2.81Å
565L96.6Very high95.6Very high45 Ų4547.6 Ų47.624%0.23626%0.258CS..Hα-helixtrans-65-34.6174.3-67.5176.9000112.6R561 M562 L563 Q568 G569 S570 A571R561-L565 PolarHBondContact O-N 2.75Å; M562-L565 WeakPolarHBondContact O-CB 3.31Å; M562-L565 PolarHBondContact O-N 3.22Å; L563-L565 VanDerWaalsContact C-N 3.33Å; L563-L565 PolarHBondContact O-N 3.32Å; L565-Q568 PolarHBondContact O-N 3.37Å; L565-G569 PolarHBondContact O-N 3.37Å; L565-S570 WeakPolarHBondContact O-CA 3.43Å; L565-S570 PolarHBondContact O-N 2.68Å; L565-A571 HydrophobicContact CB-CB 3.62Å; L565-A571 PolarHBondContact O-N 3.46Å; L565-A571 VanDerWaalsContact O-N 3.12Å
566I97.6Very high95.7Very high2 Ų246.5 Ų46.51%0.0125%0.253CS..Hα-helixtrans-61.9-49.3171.3-62.5168.6000109.3N172 K175 A179 M562 L563 T564 Q568 G569 A571 F573 V576N172-I566 WeakPolarHBondContact CB-O 3.32Å; K175-I566 HydrophobicContact CB-CG2 3.97Å; A179-I566 HydrophobicContact CB-CD1 3.87Å; M562-I566 WeakPolarHBondContact O-CG1 3.39Å; M562-I566 PolarHBondContact O-N 3.27Å; L563-I566 HydrophobicContact CD2-CD1 4.21Å; L563-I566 WeakPolarHBondContact O-CB 3.48Å; L563-I566 PolarHBondContact O-N 3.38Å; T564-I566 VanDerWaalsContact C-N 3.32Å; T564-I566 PolarHBondContact O-N 3.26Å; I566-Q568 PolarHBondContact O-N 3.04Å; I566-G569 PolarHBondContact O-N 2.72Å; I566-A571 HydrophobicContact CG1-CB 4.33Å; I566-F573 HydrophobicContact CG2-CB 4.4Å; I566-V576 HydrophobicContact CD1-CB 3.85Å; I566-V576 HydrophobicContact CD1-CG1 3.86Å; I566-V576 HydrophobicContact CD1-CG2 4.04Å; I566-V576 HydrophobicContact CG1-CB 4.35Å; I566-V576 HydrophobicContact CG1-CG2 3.98Å
567A95.7Very high95.7Very high8 Ų846.7 Ų46.77%0.06626%0.255CS..Hα-helixtrans-57.1-37.5-179.400000112.7N172 E173 L563 T564 G569N172-A567 WeakPolarHBondContact CB-O 3.21Å; E173-A567 HydrophobicContact CG-CB 3.95Å; L563-A567 PolarHBondContact O-N 3.42Å; T564-A567 WeakPolarHBondContact O-CB 3.49Å; T564-A567 PolarHBondContact O-N 2.91Å; A567-G569 VanDerWaalsContact C-N 3.26Å; A567-G569 PolarHBondContact O-N 3.36Å
568Q95.5Very high95.8Very high129 Ų12951.7 Ų51.760%0.60327%0.268SS*.THydrogen-bonded Turntrans-79.2-1.9176.9-67.3170.8-8.800114T564 L565 I566 S570T564-Q568 WeakPolarHBondContact O-CG 3.06Å; T564-Q568 PolarHBondContact O-N 2.81Å; L565-Q568 PolarHBondContact O-N 3.37Å; I566-Q568 PolarHBondContact O-N 3.04Å; Q568-S570 PolarHBondContact O-N 2.92Å
569G96.4Very high95.8Very high41 Ų4153.4 Ų53.442%0.42328%0.276SS..THydrogen-bonded Turntrans7013.9-174.300000114.4N172 L565 I566 A567N172-G569 WeakPolarHBondContact ND2-CA 3.42Å; L565-G569 PolarHBondContact O-N 3.37Å; I566-G569 PolarHBondContact O-N 2.72Å; A567-G569 VanDerWaalsContact C-N 3.26Å; A567-G569 PolarHBondContact O-N 3.36Å
570S97.5Very high95.9Very high86 Ų8653.2 Ų53.260%0.60128%0.275SS*.SBendtrans-94.9-5.3-177.5-63.60000113.6L565 Q568L565-S570 WeakPolarHBondContact O-CA 3.43Å; L565-S570 PolarHBondContact O-N 2.68Å; Q568-S570 PolarHBondContact O-N 2.92Å
571A97.1Very high96.1Very high29 Ų2954 Ų5424%0.2428%0.279CS..SBendtrans-139.4145.7173.300000111.6L565 I566 V576L565-A571 HydrophobicContact CB-CB 3.62Å; L565-A571 PolarHBondContact O-N 3.46Å; L565-A571 VanDerWaalsContact O-N 3.12Å; I566-A571 HydrophobicContact CG1-CB 4.33Å; A571-V576 HydrophobicContact CB-CG2 3.94Å
572N97.2Very high96.2Very high90 Ų9054.9 Ų54.948%0.48129%0.286SS..  trans-77.8128.1176.9-174.7-76.6000111.2Q574 D575 V576N572-Q574 PolarHBondContact O-N 2.81Å; N572-Q574 WeakPolarHBondContact OD1-CB 3.48Å; N572-Q574 PolarHBondContact OD1-N 3.43Å; N572-D575 HydrophobicContact CB-CB 4.2Å; N572-D575 WeakPolarHBondContact CB-OD2 3.39Å; N572-D575 PolarHBondContact O-N 3.46Å; N572-D575 PolarHBondContact OD1-N 3.46Å; N572-V576 WeakPolarHBondContact O-CG2 3.4Å; N572-V576 PolarHBondContact O-N 3.23Å; N572-V576 VanDerWaalsContact O-N 3.1Å
573F95.2Very high96.3Very high34 Ų3456.4 Ų56.415%0.14929%0.294CS..Hα-helixtrans-49.5-49.4177.3166.7-102.8000114K175 D178 A179 I566 L577K175-F573 HydrophobicContact CB-CB 4.32Å; K175-F573 HydrophobicContact CB-CD2 4.02Å; K175-F573 HydrophobicContact CB-CG 4.3Å; K175-F573 HydrophobicContact CD-CB 4.41Å; K175-F573 VanDerWaalsContact O-CD2 3.24Å; K175-F573 WeakPolarHBondContact O-CD2 3.47Å; K175-F573 WeakPolarHBondContact O-CE2 3.5Å; D178-F573 HydrophobicContact CB-CE2 4.03Å; D178-F573 HydrophobicContact CB-CZ 4.37Å; A179-F573 HydrophobicContact CB-CD2 3.78Å; A179-F573 HydrophobicContact CB-CE2 3.62Å; I566-F573 HydrophobicContact CG2-CB 4.4Å; F573-L577 HydrophobicContact CZ-CD2 4.46Å; F573-L577 WeakPolarHBondContact O-CB 3.29Å; F573-L577 PolarHBondContact O-N 2.99Å; F573-L577 VanDerWaalsContact O-N 3.12Å
574Q96Very high96.4Very high101 Ų10156.2 Ų56.247%0.47229%0.293SS..Hα-helixtrans-70.7-35.4-175.9-70-65.4-16.200112.3N572 R578N572-Q574 PolarHBondContact O-N 2.81Å; N572-Q574 WeakPolarHBondContact OD1-CB 3.48Å; N572-Q574 PolarHBondContact OD1-N 3.43Å; Q574-R578 VanDerWaalsContact O-CB 3.26Å; Q574-R578 WeakPolarHBondContact O-CB 3.35Å; Q574-R578 PolarHBondContact O-N 2.99Å
575D96.8Very high96.6Very high82 Ų8258.2 Ų58.244%0.43930%0.298SS..Hα-helixtrans-72.3-42-178.9-65.1-35.8000111.5N572 R578 H579N572-D575 HydrophobicContact CB-CB 4.2Å; N572-D575 WeakPolarHBondContact CB-OD2 3.39Å; N572-D575 PolarHBondContact O-N 3.46Å; N572-D575 PolarHBondContact OD1-N 3.46Å; D575-R578 PolarHBondContact O-N 3.25Å; D575-R578 IonicContact OD1-CZ 3.12Å; D575-R578 IonicContact OD1-NH1 2.76Å; D575-R578 PolarHBondContact OD1-NH1 2.97Å; D575-R578 IonicContact OD1-NH2 2.58Å; D575-H579 VanDerWaalsContact O-CB 3.25Å; D575-H579 WeakPolarHBondContact O-CB 3.41Å; D575-H579 PolarHBondContact O-N 3.07Å
576V95.9Very high96.7Very high12 Ų1261 Ų617%0.07331%0.313CS..Hα-helixtrans-59.5-48172.9171.10000110.7M562 I566 A571 N572 R578 H579 A580M562-V576 HydrophobicContact CB-CG1 3.74Å; M562-V576 HydrophobicContact CB-CG2 4.25Å; M562-V576 HydrophobicContact SD-CG1 4.21Å; I566-V576 HydrophobicContact CD1-CB 3.85Å; I566-V576 HydrophobicContact CD1-CG1 3.86Å; I566-V576 HydrophobicContact CD1-CG2 4.04Å; I566-V576 HydrophobicContact CG1-CB 4.35Å; I566-V576 HydrophobicContact CG1-CG2 3.98Å; A571-V576 HydrophobicContact CB-CG2 3.94Å; N572-V576 WeakPolarHBondContact O-CG2 3.4Å; N572-V576 PolarHBondContact O-N 3.23Å; N572-V576 VanDerWaalsContact O-N 3.1Å; V576-R578 PolarHBondContact O-N 3.11Å; V576-H579 PolarHBondContact O-N 3.22Å; V576-A580 WeakPolarHBondContact O-CB 3.38Å; V576-A580 PolarHBondContact O-N 3.48Å
577L95.7Very high96.7Very high10 Ų1062.1 Ų62.15%0.05232%0.317CS..Hα-helixtrans-59.8-48.6179.1-173.671.2000111.2E182 L183 F573 H579 I581E182-L577 HydrophobicContact CB-CD1 3.99Å; E182-L577 HydrophobicContact CG-CD1 3.92Å; E182-L577 HydrophobicContact CG-CD2 4.38Å; L183-L577 HydrophobicContact CD2-CD1 3.84Å; L183-L577 HydrophobicContact CG-CD1 3.93Å; F573-L577 HydrophobicContact CZ-CD2 4.46Å; F573-L577 WeakPolarHBondContact O-CB 3.29Å; F573-L577 PolarHBondContact O-N 2.99Å; F573-L577 VanDerWaalsContact O-N 3.12Å; L577-H579 VanDerWaalsContact C-N 3.34Å; L577-H579 PolarHBondContact O-N 2.96Å; L577-I581 HydrophobicContact CD1-CD1 3.81Å; L577-I581 HydrophobicContact CD1-CG1 4.33Å; L577-I581 HydrophobicContact CD2-CD1 4.37Å; L577-I581 HydrophobicContact CG-CD1 3.68Å; L577-I581 HydrophobicContact CG-CG1 4.45Å; L577-I581 VanDerWaalsContact O-CB 3.25Å; L577-I581 WeakPolarHBondContact O-CB 3.26Å; L577-I581 WeakPolarHBondContact O-CG1 3.39Å; L577-I581 PolarHBondContact O-N 2.9Å
578R96.3Very high96.8Very high152 Ų15262 Ų6257%0.57432%0.315SS*.Hα-helixtrans-61-42.8179-167.3-172.5-54.6124.19.4111.7Q574 D575 V576 K582Q574-R578 VanDerWaalsContact O-CB 3.26Å; Q574-R578 WeakPolarHBondContact O-CB 3.35Å; Q574-R578 PolarHBondContact O-N 2.99Å; D575-R578 PolarHBondContact O-N 3.25Å; D575-R578 IonicContact OD1-CZ 3.12Å; D575-R578 IonicContact OD1-NH1 2.76Å; D575-R578 PolarHBondContact OD1-NH1 2.97Å; D575-R578 IonicContact OD1-NH2 2.58Å; V576-R578 PolarHBondContact O-N 3.11Å; R578-K582 VanDerWaalsContact O-CB 3.28Å; R578-K582 WeakPolarHBondContact O-CB 3.2Å; R578-K582 PolarHBondContact O-N 3.28Å; R578-K582 VanDerWaalsContact O-N 3.08Å
579H96.5Very high97Very high91 Ų9160.3 Ų60.342%0.42131%0.309SS..Hα-helixtrans-64.4-54.5179.4179.180.6000111.6D575 V576 L577 I581 K582 I583D575-H579 VanDerWaalsContact O-CB 3.25Å; D575-H579 WeakPolarHBondContact O-CB 3.41Å; D575-H579 PolarHBondContact O-N 3.07Å; V576-H579 PolarHBondContact O-N 3.22Å; L577-H579 VanDerWaalsContact C-N 3.34Å; L577-H579 PolarHBondContact O-N 2.96Å; H579-I581 PolarHBondContact O-N 2.71Å; H579-K582 WeakPolarHBondContact O-CB 3.4Å; H579-K582 PolarHBondContact O-N 3.41Å; H579-I583 VanDerWaalsContact NE2-CD1 3.25Å; H579-I583 WeakPolarHBondContact NE2-CD1 3.43Å; H579-I583 PolarHBondContact O-N 2.91Å; H579-I583 VanDerWaalsContact O-N 3.1Å
580A96Very high97Very high2 Ų264.1 Ų64.12%0.01731%0.311CS..Hα-helixtrans-63.1-44.5-178.500000112L183 M562 V576 K582 I583 F584L183-A580 HydrophobicContact CD1-CB 4.07Å; L183-A580 HydrophobicContact CD2-CB 3.61Å; M562-A580 HydrophobicContact CE-CB 4.46Å; V576-A580 WeakPolarHBondContact O-CB 3.38Å; V576-A580 PolarHBondContact O-N 3.48Å; A580-K582 VanDerWaalsContact C-N 3.3Å; A580-K582 PolarHBondContact O-N 3.36Å; A580-I583 PolarHBondContact O-N 3.22Å; A580-F584 WeakPolarHBondContact O-CD2 3.37Å; A580-F584 PolarHBondContact O-N 3.07Å
581I96.6Very high97.1Very high22 Ų2260 Ų6011%0.11328%0.282CS..Hα-helixtrans-58.3-42.1175-72.4175.2000111.1F83 L183 L577 H579 K585F83-I581 HydrophobicContact CB-CG2 4.05Å; F83-I581 HydrophobicContact CD1-CG2 4.09Å; F83-I581 VanDerWaalsContact O-CG2 3.26Å; F83-I581 WeakPolarHBondContact O-CG2 3.44Å; L183-I581 HydrophobicContact CD2-CG1 3.85Å; L577-I581 HydrophobicContact CD1-CD1 3.81Å; L577-I581 HydrophobicContact CD1-CG1 4.33Å; L577-I581 HydrophobicContact CD2-CD1 4.37Å; L577-I581 HydrophobicContact CG-CD1 3.68Å; L577-I581 HydrophobicContact CG-CG1 4.45Å; L577-I581 VanDerWaalsContact O-CB 3.25Å; L577-I581 WeakPolarHBondContact O-CB 3.26Å; L577-I581 WeakPolarHBondContact O-CG1 3.39Å; L577-I581 PolarHBondContact O-N 2.9Å; H579-I581 PolarHBondContact O-N 2.71Å; I581-K585 WeakPolarHBondContact O-CB 3.42Å; I581-K585 PolarHBondContact O-N 3.21Å
582K97.4Very high97.1Very high142 Ų14261 Ų6162%0.61729%0.286SS*.Hα-helixtrans-61.7-46.1179.2-178.3-178.6177.6-174.90111.3R578 H579 A580 K585 L586R578-K582 VanDerWaalsContact O-CB 3.28Å; R578-K582 WeakPolarHBondContact O-CB 3.2Å; R578-K582 PolarHBondContact O-N 3.28Å; R578-K582 VanDerWaalsContact O-N 3.08Å; H579-K582 WeakPolarHBondContact O-CB 3.4Å; H579-K582 PolarHBondContact O-N 3.41Å; A580-K582 VanDerWaalsContact C-N 3.3Å; A580-K582 PolarHBondContact O-N 3.36Å; K582-K585 PolarHBondContact O-N 2.91Å; K582-L586 WeakPolarHBondContact O-CG 3.22Å; K582-L586 PolarHBondContact O-N 3.49Å; K582-L586 VanDerWaalsContact O-N 3.11Å
583I97Very high97.1Very high51 Ų5164.8 Ų64.826%0.26230%0.298SS..Hα-helixtrans-62.8-51.3179.2-65.9171.9000110.6M555 H579 A580 K585 L586 K587M555-I583 HydrophobicContact CE-CG2 3.54Å; H579-I583 VanDerWaalsContact NE2-CD1 3.25Å; H579-I583 WeakPolarHBondContact NE2-CD1 3.43Å; H579-I583 PolarHBondContact O-N 2.91Å; H579-I583 VanDerWaalsContact O-N 3.1Å; A580-I583 PolarHBondContact O-N 3.22Å; I583-K585 VanDerWaalsContact C-N 3.27Å; I583-K585 PolarHBondContact O-N 3.35Å; I583-L586 PolarHBondContact O-N 3.2Å; I583-L586 VanDerWaalsContact O-N 3.12Å; I583-K587 PolarHBondContact O-N 2.95Å
584F97.3Very high97.3Very high4 Ų465.3 Ų65.32%0.01830%0.302CS..Hα-helixtrans-66.2-28.9-179.5-82.8-80.9000113F83 I187 P215 M555 V559 A580 K587 F588F83-F584 HydrophobicContact CE1-CB 3.88Å; I187-F584 HydrophobicContact CD1-CB 4Å; I187-F584 HydrophobicContact CD1-CD1 4.02Å; I187-F584 HydrophobicContact CD1-CD2 3.37Å; I187-F584 HydrophobicContact CD1-CE1 4.34Å; I187-F584 HydrophobicContact CD1-CE2 3.75Å; I187-F584 HydrophobicContact CD1-CG 3.52Å; I187-F584 HydrophobicContact CD1-CZ 4.22Å; I187-F584 HydrophobicContact CG1-CB 3.84Å; I187-F584 HydrophobicContact CG1-CD1 4.28Å; I187-F584 HydrophobicContact CG1-CD2 4.19Å; I187-F584 HydrophobicContact CG1-CG 3.85Å; I187-F584 HydrophobicContact CG2-CB 4.45Å; I187-F584 HydrophobicContact CG2-CD1 3.68Å; I187-F584 HydrophobicContact CG2-CE1 4.12Å; I187-F584 HydrophobicContact CG2-CG 4.13Å; P215-F584 HydrophobicContact CB-CZ 4.46Å; M555-F584 HydrophobicContact CB-CZ 4.5Å; M555-F584 HydrophobicContact CE-CE2 3.98Å; M555-F584 HydrophobicContact CE-CZ 4.12Å; V559-F584 HydrophobicContact CG2-CE2 4.17Å; A580-F584 WeakPolarHBondContact O-CD2 3.37Å; A580-F584 PolarHBondContact O-N 3.07Å; F584-K587 PolarHBondContact O-N 2.9Å; F584-F588 VanDerWaalsContact O-CB 3.23Å; F584-F588 WeakPolarHBondContact O-CB 3.35Å; F584-F588 PolarHBondContact O-N 3.48Å
585K98.1Very high97.3Very high89 Ų8961 Ų6139%0.38728%0.282SS..Hα-helixtrans-64.6-43.8171.6-176.2-180178.2-178.10111.7F83 I581 K582 I583 F588 M589F83-K585 HydrophobicContact CB-CB 4.25Å; F83-K585 HydrophobicContact CB-CD 4.13Å; F83-K585 HydrophobicContact CB-CG 4.23Å; F83-K585 HydrophobicContact CD1-CB 3.86Å; F83-K585 HydrophobicContact CD2-CB 4.27Å; F83-K585 HydrophobicContact CD2-CG 4.18Å; F83-K585 HydrophobicContact CE1-CB 4.27Å; F83-K585 HydrophobicContact CG-CB 3.86Å; F83-K585 HydrophobicContact CG-CG 4.08Å; I581-K585 WeakPolarHBondContact O-CB 3.42Å; I581-K585 PolarHBondContact O-N 3.21Å; K582-K585 PolarHBondContact O-N 2.91Å; I583-K585 VanDerWaalsContact C-N 3.27Å; I583-K585 PolarHBondContact O-N 3.35Å; K585-F588 PolarHBondContact O-N 3.24Å; K585-M589 HydrophobicContact CG-SD 4.5Å; K585-M589 WeakPolarHBondContact O-CG 3.27Å; K585-M589 PolarHBondContact O-N 3.35Å
586L98.2Very high97.1Very high105 Ų10562 Ų6255%0.5529%0.288SS..Hα-helixtrans-63.4-44.7176.3-69.7171.7000111.2K582 I583 F588 M589 Y590K582-L586 WeakPolarHBondContact O-CG 3.22Å; K582-L586 PolarHBondContact O-N 3.49Å; K582-L586 VanDerWaalsContact O-N 3.11Å; I583-L586 PolarHBondContact O-N 3.2Å; I583-L586 VanDerWaalsContact O-N 3.12Å; L586-F588 VanDerWaalsContact C-N 3.34Å; L586-F588 PolarHBondContact O-N 3Å; L586-M589 PolarHBondContact O-N 3.3Å; L586-Y590 PolarHBondContact O-N 3.17Å
587K97.9Very high97Very high25 Ų2563.3 Ų63.311%0.10930%0.297CS..Hα-helixtrans-60.9-41.6173.8-70.4-169.2169.5-62.60112.2D547 E549 L550 I583 F584 Y590 F591D547-K587 IonicContact OD1-NZ 2.73Å; D547-K587 PolarHBondContact OD1-NZ 3.04Å; D547-K587 WeakPolarHBondContact OD2-CD 3.28Å; D547-K587 IonicContact OD2-NZ 2.76Å; D547-K587 PolarHBondContact OD2-NZ 3.37Å; E549-K587 WeakPolarHBondContact OE2-CE 3.47Å; E549-K587 IonicContact OE2-NZ 2.9Å; E549-K587 PolarHBondContact OE2-NZ 2.7Å; L550-K587 HydrophobicContact CD2-CB 4.3Å; L550-K587 HydrophobicContact CD2-CD 4.05Å; I583-K587 PolarHBondContact O-N 2.95Å; F584-K587 PolarHBondContact O-N 2.9Å; K587-Y590 PolarHBondContact O-N 3.05Å; K587-F591 VanDerWaalsContact O-CB 3.31Å; K587-F591 WeakPolarHBondContact O-CB 3.34Å; K587-F591 PolarHBondContact O-N 3.41Å
588F98.4Very high96.9Very high4 Ų462.9 Ų62.92%0.01830%0.295CS..Hα-helixtrans-61.3-45.3175.5177.5-96.5000112P79 I80 F83 A190 F191 F194 F584 K585 L586 Y590 F591 V592P79-F588 HydrophobicContact CB-CZ 3.9Å; I80-F588 HydrophobicContact CB-CD1 4.38Å; I80-F588 HydrophobicContact CB-CE1 3.89Å; I80-F588 HydrophobicContact CG1-CD1 4.17Å; I80-F588 HydrophobicContact CG1-CE1 4.18Å; F83-F588 HydrophobicContact CE2-CB 3.64Å; F83-F588 AromaticContact CE2-CD1 3.73Å; F83-F588 HydrophobicContact CE2-CD1 3.73Å; F83-F588 HydrophobicContact CE2-CD2 4.11Å; F83-F588 HydrophobicContact CE2-CE1 4.46Å; F83-F588 AromaticContact CE2-CG 3.53Å; F83-F588 HydrophobicContact CE2-CG 3.53Å; F83-F588 HydrophobicContact CZ-CB 3.63Å; F83-F588 HydrophobicContact CZ-CD2 4.39Å; F83-F588 AromaticContact CZ-CG 3.95Å; F83-F588 HydrophobicContact CZ-CG 3.95Å; A190-F588 HydrophobicContact CB-CD2 4.29Å; A190-F588 HydrophobicContact CB-CE2 4.22Å; A190-F588 WeakPolarHBondContact O-CE2 3.5Å; F191-F588 HydrophobicContact CD1-CD2 4.06Å; F191-F588 AromaticContact CD2-CD2 3.84Å; F191-F588 HydrophobicContact CD2-CD2 3.84Å; F191-F588 HydrophobicContact CE1-CB 4.47Å; F191-F588 HydrophobicContact CE1-CD2 4.11Å; F191-F588 HydrophobicContact CE2-CB 3.77Å; F191-F588 AromaticContact CE2-CD2 3.89Å; F191-F588 HydrophobicContact CE2-CD2 3.89Å; F191-F588 HydrophobicContact CE2-CG 4.32Å; F191-F588 AromaticContact CG-CD2 3.93Å; F191-F588 HydrophobicContact CG-CD2 3.93Å; F191-F588 HydrophobicContact CZ-CB 3.74Å; F191-F588 HydrophobicContact CZ-CD2 4.03Å; F191-F588 HydrophobicContact CZ-CG 4.41Å; F194-F588 HydrophobicContact CB-CE2 3.87Å; F194-F588 HydrophobicContact CB-CZ 3.94Å; F194-F588 HydrophobicContact CD2-CZ 4.46Å; F194-F588 HydrophobicContact CG-CE2 4.25Å; F194-F588 HydrophobicContact CG-CZ 4.18Å; F584-F588 VanDerWaalsContact O-CB 3.23Å; F584-F588 WeakPolarHBondContact O-CB 3.35Å; F584-F588 PolarHBondContact O-N 3.48Å; K585-F588 PolarHBondContact O-N 3.24Å; L586-F588 VanDerWaalsContact C-N 3.34Å; L586-F588 PolarHBondContact O-N 3Å; F588-Y590 VanDerWaalsContact C-N 3.32Å; F588-Y590 PolarHBondContact O-N 3.39Å; F588-F591 WeakPolarHBondContact O-CB 3.43Å; F588-F591 PolarHBondContact O-N 2.8Å; F588-V592 HydrophobicContact CD1-CG2 4.13Å; F588-V592 HydrophobicContact CD2-CG2 4.43Å; F588-V592 HydrophobicContact CE1-CG2 3.61Å; F588-V592 HydrophobicContact CE2-CG2 3.95Å; F588-V592 HydrophobicContact CZ-CG2 3.5Å; F588-V592 VanDerWaalsContact CZ-CG2 3.5Å; F588-V592 WeakPolarHBondContact O-CG2 3.27Å; F588-V592 PolarHBondContact O-N 3.03Å
589M98.4Very high96.8Very high95 Ų9556.3 Ų56.347%0.46827%0.271SS..Hα-helixtrans-60.8-42.7176.4-70.9174.267.100111.8I80 K585 L586 F591 K593I80-M589 HydrophobicContact CD1-CG 3.61Å; I80-M589 HydrophobicContact CD1-SD 4.06Å; K585-M589 HydrophobicContact CG-SD 4.5Å; K585-M589 WeakPolarHBondContact O-CG 3.27Å; K585-M589 PolarHBondContact O-N 3.35Å; L586-M589 PolarHBondContact O-N 3.3Å; M589-F591 VanDerWaalsContact C-N 3.34Å; M589-K593 WeakPolarHBondContact O-CB 3.33Å; M589-K593 PolarHBondContact O-N 3.3Å
590Y98.3Very high96.4Very high120 Ų12053.9 Ų53.947%0.47127%0.267SS..Hα-helixtrans-65-39.4175-176.8-93.4000111.8I546 D547 L586 K587 F588 K593 N594I546-Y590 HydrophobicContact CG2-CD1 4Å; I546-Y590 HydrophobicContact CG2-CE1 3.89Å; I546-Y590 VanDerWaalsContact O-CE1 3.3Å; I546-Y590 WeakPolarHBondContact O-CE1 3.37Å; D547-Y590 HydrophobicContact CB-CD1 4.47Å; L586-Y590 PolarHBondContact O-N 3.17Å; K587-Y590 PolarHBondContact O-N 3.05Å; F588-Y590 VanDerWaalsContact C-N 3.32Å; F588-Y590 PolarHBondContact O-N 3.39Å; Y590-K593 PolarHBondContact O-N 3.4Å; Y590-N594 VanDerWaalsContact CE2-ND2 3.35Å; Y590-N594 WeakPolarHBondContact CE2-ND2 3.2Å; Y590-N594 PolarHBondContact O-N 2.79Å; Y590-N594 PolarHBondContact O-ND2 3.44Å
591F98.4Very high96.2Very high0 Ų056 Ų560%028%0.278CS..Hα-helixtrans-61-49.9175.9177.2-98.2000112F191 F194 Q195 Y543 I546 L550 K587 F588 M589 K593 N594 I595 M598F191-F591 AromaticContact CD1-CD1 3.88Å; F191-F591 HydrophobicContact CD1-CD1 3.88Å; F191-F591 HydrophobicContact CD1-CE1 4.16Å; F191-F591 HydrophobicContact CD1-CG 4.15Å; F191-F591 HydrophobicContact CE1-CB 3.83Å; F191-F591 AromaticContact CE1-CD1 3.89Å; F191-F591 HydrophobicContact CE1-CD1 3.89Å; F191-F591 HydrophobicContact CE1-CD2 4.3Å; F191-F591 AromaticContact CE1-CG 3.74Å; F191-F591 HydrophobicContact CE1-CG 3.74Å; F194-F591 HydrophobicContact CD1-CD1 4.14Å; F194-F591 AromaticContact CD1-CE1 3.75Å; F194-F591 HydrophobicContact CD1-CE1 3.75Å; F194-F591 HydrophobicContact CE1-CD1 4.13Å; F194-F591 AromaticContact CE1-CE1 3.82Å; F194-F591 HydrophobicContact CE1-CE1 3.82Å; Q195-F591 HydrophobicContact CG-CE1 3.75Å; Q195-F591 HydrophobicContact CG-CZ 3.82Å; Y543-F591 HydrophobicContact CD1-CD2 4.23Å; Y543-F591 AromaticContact CD1-CE2 3.53Å; Y543-F591 HydrophobicContact CD1-CE2 3.53Å; Y543-F591 HydrophobicContact CD1-CZ 4.17Å; Y543-F591 AromaticContact CE1-CE2 3.64Å; Y543-F591 HydrophobicContact CE1-CE2 3.64Å; Y543-F591 AromaticContact CE1-CZ 3.8Å; Y543-F591 HydrophobicContact CE1-CZ 3.8Å; I546-F591 HydrophobicContact CB-CD2 4.45Å; I546-F591 HydrophobicContact CD1-CD2 3.76Å; I546-F591 HydrophobicContact CD1-CE2 3.67Å; I546-F591 HydrophobicContact CG2-CB 4.49Å; I546-F591 HydrophobicContact CG2-CD2 4.04Å; L550-F591 HydrophobicContact CD1-CD2 4.07Å; K587-F591 VanDerWaalsContact O-CB 3.31Å; K587-F591 WeakPolarHBondContact O-CB 3.34Å; K587-F591 PolarHBondContact O-N 3.41Å; F588-F591 WeakPolarHBondContact O-CB 3.43Å; F588-F591 PolarHBondContact O-N 2.8Å; M589-F591 VanDerWaalsContact C-N 3.34Å; F591-K593 VanDerWaalsContact C-N 3.32Å; F591-K593 PolarHBondContact O-N 3.37Å; F591-N594 CarbonylContact O-C 3.48Å; F591-N594 PolarHBondContact O-N 2.99Å; F591-I595 HydrophobicContact CE1-CD1 3.79Å; F591-I595 HydrophobicContact CE2-CD1 4.33Å; F591-I595 HydrophobicContact CZ-CD1 3.62Å; F591-I595 PolarHBondContact O-N 2.63Å; F591-M598 HydrophobicContact CE2-CE 3.94Å; F591-M598 HydrophobicContact CE2-SD 4.32Å; F591-M598 HydrophobicContact CZ-CE 4.16Å; F591-M598 HydrophobicContact CZ-SD 4.05Å
592V98Very high95.9Very high51 Ų5155 Ų5531%0.30927%0.272SS..Hα-helixtrans-59.1-42.9176.9171.90000111.3F194 F588 N594 I595F194-V592 HydrophobicContact CD1-CG2 4.09Å; F194-V592 HydrophobicContact CD2-CG2 3.89Å; F194-V592 HydrophobicContact CE1-CB 4.47Å; F194-V592 HydrophobicContact CE1-CG2 3.92Å; F194-V592 HydrophobicContact CE2-CB 4.22Å; F194-V592 HydrophobicContact CE2-CG1 3.72Å; F194-V592 HydrophobicContact CE2-CG2 3.73Å; F194-V592 HydrophobicContact CG-CG2 4.07Å; F194-V592 HydrophobicContact CZ-CB 4.03Å; F194-V592 HydrophobicContact CZ-CG1 3.81Å; F194-V592 HydrophobicContact CZ-CG2 3.75Å; F588-V592 HydrophobicContact CD1-CG2 4.13Å; F588-V592 HydrophobicContact CD2-CG2 4.43Å; F588-V592 HydrophobicContact CE1-CG2 3.61Å; F588-V592 HydrophobicContact CE2-CG2 3.95Å; F588-V592 HydrophobicContact CZ-CG2 3.5Å; F588-V592 VanDerWaalsContact CZ-CG2 3.5Å; F588-V592 WeakPolarHBondContact O-CG2 3.27Å; F588-V592 PolarHBondContact O-N 3.03Å; V592-N594 PolarHBondContact O-N 3.35Å; V592-I595 WeakPolarHBondContact O-CG2 3.33Å; V592-I595 PolarHBondContact O-N 2.92Å
593K97.7Very high95.5Very high169 Ų16954 Ų5474%0.73527%0.27SS*.Hα-helixtrans-62.8-29.7179.7-176.6179.5176.7-1750113.2M589 Y590 F591M589-K593 WeakPolarHBondContact O-CB 3.33Å; M589-K593 PolarHBondContact O-N 3.3Å; Y590-K593 PolarHBondContact O-N 3.4Å; F591-K593 VanDerWaalsContact C-N 3.32Å; F591-K593 PolarHBondContact O-N 3.37Å
594N97.4Very high95Very high45 Ų4557.7 Ų57.724%0.24129%0.294CS..THydrogen-bonded Turntrans-113.517.9-173.8-62.6-78.7000113I546 Y590 F591 V592 D596 S597I546-N594 WeakPolarHBondContact CD1-O 3.48Å; I546-N594 HydrophobicContact CG1-CB 4.32Å; I546-N594 HydrophobicContact CG2-CB 4.06Å; Y590-N594 VanDerWaalsContact CE2-ND2 3.35Å; Y590-N594 WeakPolarHBondContact CE2-ND2 3.2Å; Y590-N594 PolarHBondContact O-N 2.79Å; Y590-N594 PolarHBondContact O-ND2 3.44Å; F591-N594 CarbonylContact O-C 3.48Å; F591-N594 PolarHBondContact O-N 2.99Å; V592-N594 PolarHBondContact O-N 3.35Å; N594-D596 PolarHBondContact O-N 3Å; N594-D596 VanDerWaalsContact O-N 3.13Å; N594-S597 WeakPolarHBondContact O-CB 3.5Å; N594-S597 PolarHBondContact O-N 3.46Å
595I96.9Very high94.6Very high9 Ų959.7 Ų59.75%0.04631%0.309CS..THydrogen-bonded Turntrans-57.6-30-174.4-171.358.9000113.3F194 F198 F199 F591 V592 S597 M598 D599F194-I595 HydrophobicContact CE1-CB 4.14Å; F194-I595 HydrophobicContact CE1-CD1 3.83Å; F194-I595 HydrophobicContact CE1-CG1 3.77Å; F194-I595 HydrophobicContact CZ-CB 4.18Å; F194-I595 HydrophobicContact CZ-CG1 4.09Å; F194-I595 HydrophobicContact CZ-CG2 4.28Å; F198-I595 HydrophobicContact CD1-CD1 4.39Å; F198-I595 HydrophobicContact CD1-CG1 3.7Å; F198-I595 HydrophobicContact CD2-CG1 4.15Å; F198-I595 HydrophobicContact CD2-CG2 4.25Å; F198-I595 HydrophobicContact CE1-CD1 4.4Å; F198-I595 HydrophobicContact CE1-CG1 3.45Å; F198-I595 VanDerWaalsContact CE1-CG1 3.45Å; F198-I595 HydrophobicContact CE1-CG2 4.32Å; F198-I595 HydrophobicContact CE2-CB 4.38Å; F198-I595 HydrophobicContact CE2-CG1 3.93Å; F198-I595 HydrophobicContact CE2-CG2 3.5Å; F198-I595 HydrophobicContact CG-CG1 4.03Å; F198-I595 HydrophobicContact CZ-CB 4.18Å; F198-I595 HydrophobicContact CZ-CG1 3.57Å; F198-I595 HydrophobicContact CZ-CG2 3.53Å; F199-I595 HydrophobicContact CE2-CD1 4.48Å; F199-I595 HydrophobicContact CZ-CD1 4.38Å; F591-I595 HydrophobicContact CE1-CD1 3.79Å; F591-I595 HydrophobicContact CE2-CD1 4.33Å; F591-I595 HydrophobicContact CZ-CD1 3.62Å; F591-I595 PolarHBondContact O-N 2.63Å; V592-I595 WeakPolarHBondContact O-CG2 3.33Å; V592-I595 PolarHBondContact O-N 2.92Å; I595-S597 PolarHBondContact O-N 2.89Å; I595-S597 VanDerWaalsContact O-N 3.09Å; I595-M598 HydrophobicContact CD1-CB 4.32Å; I595-M598 HydrophobicContact CD1-SD 4.17Å; I595-M598 WeakPolarHBondContact O-CB 3.41Å; I595-M598 PolarHBondContact O-N 3.43Å; I595-D599 PolarHBondContact O-N 3.33Å
596D93Very high94.2Very high105 Ų10556.4 Ų56.456%0.56130%0.295SS*.Hα-helixtrans-58.3-26.1177.6-58.5-27.1000112.6N594 M598 D599 A600N594-D596 PolarHBondContact O-N 3Å; N594-D596 VanDerWaalsContact O-N 3.13Å; D596-M598 VanDerWaalsContact C-N 3.32Å; D596-M598 PolarHBondContact O-N 2.92Å; D596-D599 PolarHBondContact O-N 3.3Å; D596-A600 WeakPolarHBondContact O-CB 3.39Å; D596-A600 PolarHBondContact O-N 3.43Å
597S92.7Very high93.5Very high39 Ų3953.7 Ų53.727%0.27328%0.284SS..Hα-helixtrans-65.6-36.5175.4-69.70000112.8K545 N594 I595K545-S597 WeakPolarHBondContact CD-O 2.85Å; K545-S597 PolarHBondContact NZ-O 3.32Å; N594-S597 WeakPolarHBondContact O-CB 3.5Å; N594-S597 PolarHBondContact O-N 3.46Å; I595-S597 PolarHBondContact O-N 2.89Å; I595-S597 VanDerWaalsContact O-N 3.09Å
598M94.8Very high92.9Very high0 Ų054.4 Ų54.40%029%0.292CS..Hα-helixtrans-77.4-43.1174174.5178.7-82.400110F199 G542 Y543 I546 F591 I595 D596 A600 L601 F602F199-M598 HydrophobicContact CE2-CG 4.45Å; F199-M598 HydrophobicContact CE2-SD 3.91Å; F199-M598 HydrophobicContact CZ-CG 3.94Å; F199-M598 HydrophobicContact CZ-SD 4Å; G542-M598 VanDerWaalsContact C-CE 3.42Å; Y543-M598 HydrophobicContact CD1-CE 3.55Å; Y543-M598 HydrophobicContact CD2-CE 4.19Å; Y543-M598 HydrophobicContact CE1-CE 3.71Å; Y543-M598 HydrophobicContact CE2-CE 4.33Å; Y543-M598 HydrophobicContact CG-CE 3.79Å; Y543-M598 VanDerWaalsContact N-CE 3.29Å; I546-M598 HydrophobicContact CD1-CB 3.85Å; F591-M598 HydrophobicContact CE2-CE 3.94Å; F591-M598 HydrophobicContact CE2-SD 4.32Å; F591-M598 HydrophobicContact CZ-CE 4.16Å; F591-M598 HydrophobicContact CZ-SD 4.05Å; I595-M598 HydrophobicContact CD1-CB 4.32Å; I595-M598 HydrophobicContact CD1-SD 4.17Å; I595-M598 WeakPolarHBondContact O-CB 3.41Å; I595-M598 PolarHBondContact O-N 3.43Å; D596-M598 VanDerWaalsContact C-N 3.32Å; D596-M598 PolarHBondContact O-N 2.92Å; M598-A600 VanDerWaalsContact C-N 3.28Å; M598-A600 PolarHBondContact O-N 2.83Å; M598-L601 WeakPolarHBondContact O-CB 3.26Å; M598-L601 PolarHBondContact O-N 3.18Å; M598-F602 HydrophobicContact CG-CD2 3.74Å; M598-F602 HydrophobicContact CG-CE2 3.59Å; M598-F602 WeakPolarHBondContact O-CD2 3.16Å; M598-F602 PolarHBondContact O-N 2.86Å; M598-F602 VanDerWaalsContact O-N 3.12Å; M598-F602 HydrophobicContact SD-CE2 3.96Å
599D92.9Very high91.9Very high14 Ų1454.7 Ų54.78%0.07529%0.294CS..Hα-helixtrans-52.9-44.1177.2-163.449.4000112.8F198 F199 R202 Y203 I595 D596 L601 F602 E603F198-D599 HydrophobicContact CE1-CB 4.07Å; F198-D599 HydrophobicContact CZ-CB 4.41Å; F199-D599 HydrophobicContact CE1-CB 4.42Å; F199-D599 WeakPolarHBondContact CE1-OD1 3.46Å; R202-D599 IonicContact CZ-OD1 3.37Å; R202-D599 IonicContact CZ-OD2 2.63Å; R202-D599 IonicContact NH1-OD1 3.92Å; R202-D599 PolarHBondContact NH1-OD1 2.83Å; R202-D599 IonicContact NH1-OD2 2.6Å; R202-D599 PolarHBondContact NH1-OD2 2.95Å; R202-D599 IonicContact NH2-OD1 3.96Å; R202-D599 IonicContact NH2-OD2 3.43Å; R202-D599 PolarHBondContact NH2-OD2 2.78Å; Y203-D599 PolarHBondContact OH-O 2.8Å; Y203-D599 VanDerWaalsContact OH-O 3.05Å; Y203-D599 PolarHBondContact OH-OD1 3.4Å; I595-D599 PolarHBondContact O-N 3.33Å; D596-D599 PolarHBondContact O-N 3.3Å; D599-L601 PolarHBondContact O-N 3.08Å; D599-F602 WeakPolarHBondContact O-CA 3.44Å; D599-F602 WeakPolarHBondContact O-CB 3.42Å; D599-F602 PolarHBondContact O-N 2.97Å; D599-E603 PolarHBondContact O-N 2.95Å
600A89.7Confident91Very high40 Ų4052.2 Ų52.233%0.33129%0.288SS..Hα-helixtrans-58.9-30.1175.900000113.6D596 M598 V604D596-A600 WeakPolarHBondContact O-CB 3.39Å; D596-A600 PolarHBondContact O-N 3.43Å; M598-A600 VanDerWaalsContact C-N 3.28Å; M598-A600 PolarHBondContact O-N 2.83Å; A600-V604 WeakPolarHBondContact O-CG2 3.46Å
601L90Very high90.2Very high48 Ų4853.3 Ų53.325%0.25130%0.298SS..Hα-helixtrans-78.3-35.9175-60.8177.7000111.7V538 H541 K545 M598 D599 V604 S605V538-L601 HydrophobicContact CG1-CB 3.98Å; H541-L601 HydrophobicContact CB-CD1 3.91Å; K545-L601 HydrophobicContact CD-CD1 4.29Å; M598-L601 WeakPolarHBondContact O-CB 3.26Å; M598-L601 PolarHBondContact O-N 3.18Å; D599-L601 PolarHBondContact O-N 3.08Å; L601-V604 PolarHBondContact O-N 2.89Å; L601-S605 WeakPolarHBondContact O-CB 3.42Å; L601-S605 PolarHBondContact O-N 3.05Å; L601-S605 PolarHBondContact O-OG 3.35Å
602F92.2Very high89.5Confident0 Ų053.8 Ų53.80%030%0.301CS..Hα-helixtrans-63.9-42.8173.7-86.5-101.8000111F199 Y203 L206 I211 L535 V538 L539 M598 D599 V604 S605 F606F199-F602 HydrophobicContact CD1-CD1 4.39Å; F199-F602 HydrophobicContact CD1-CG 4.41Å; F199-F602 HydrophobicContact CE1-CB 4.22Å; F199-F602 HydrophobicContact CE1-CD1 4.33Å; F199-F602 AromaticContact CE1-CD2 3.98Å; F199-F602 HydrophobicContact CE1-CD2 3.98Å; F199-F602 HydrophobicContact CE1-CE2 4.44Å; F199-F602 AromaticContact CE1-CG 3.92Å; F199-F602 HydrophobicContact CE1-CG 3.92Å; F199-F602 HydrophobicContact CE2-CD2 4.44Å; F199-F602 HydrophobicContact CE2-CE2 4.11Å; F199-F602 HydrophobicContact CE2-CZ 4.27Å; F199-F602 AromaticContact CZ-CD2 3.8Å; F199-F602 HydrophobicContact CZ-CD2 3.8Å; F199-F602 AromaticContact CZ-CE2 3.91Å; F199-F602 HydrophobicContact CZ-CE2 3.91Å; F199-F602 HydrophobicContact CZ-CG 4.2Å; F199-F602 HydrophobicContact CZ-CZ 4.4Å; Y203-F602 HydrophobicContact CD2-CB 4.26Å; Y203-F602 HydrophobicContact CD2-CD1 4.38Å; Y203-F602 HydrophobicContact CE2-CB 3.48Å; Y203-F602 VanDerWaalsContact CE2-CB 3.48Å; Y203-F602 HydrophobicContact CE2-CD1 4.26Å; Y203-F602 HydrophobicContact CE2-CG 4.23Å; L206-F602 HydrophobicContact CD1-CD1 4.39Å; L206-F602 HydrophobicContact CD1-CE1 3.96Å; L206-F602 HydrophobicContact CD2-CD1 3.78Å; L206-F602 HydrophobicContact CD2-CE1 3.83Å; I211-F602 HydrophobicContact CD1-CE1 4.01Å; I211-F602 HydrophobicContact CD1-CZ 4.24Å; L535-F602 HydrophobicContact CD1-CE1 3.8Å; L535-F602 HydrophobicContact CD1-CZ 3.97Å; V538-F602 HydrophobicContact CG1-CD1 4.37Å; V538-F602 HydrophobicContact CG1-CD2 3.37Å; V538-F602 HydrophobicContact CG1-CE1 4.47Å; V538-F602 HydrophobicContact CG1-CE2 3.51Å; V538-F602 HydrophobicContact CG1-CG 3.84Å; V538-F602 HydrophobicContact CG1-CZ 4.07Å; L539-F602 HydrophobicContact CD2-CE2 4.22Å; L539-F602 HydrophobicContact CD2-CZ 3.78Å; L539-F602 HydrophobicContact CG-CZ 4.16Å; M598-F602 HydrophobicContact CG-CD2 3.74Å; M598-F602 HydrophobicContact CG-CE2 3.59Å; M598-F602 WeakPolarHBondContact O-CD2 3.16Å; M598-F602 PolarHBondContact O-N 2.86Å; M598-F602 VanDerWaalsContact O-N 3.12Å; M598-F602 HydrophobicContact SD-CE2 3.96Å; D599-F602 WeakPolarHBondContact O-CA 3.44Å; D599-F602 WeakPolarHBondContact O-CB 3.42Å; D599-F602 PolarHBondContact O-N 2.97Å; F602-V604 VanDerWaalsContact C-N 3.27Å; F602-V604 PolarHBondContact O-N 2.92Å; F602-S605 CarbonylContact O-C 3.46Å; F602-S605 PolarHBondContact O-N 3.15Å; F602-F606 HydrophobicContact CB-CD2 4.17Å; F602-F606 AromaticContact CD1-CD2 3.47Å; F602-F606 HydrophobicContact CD1-CD2 3.47Å; F602-F606 VanDerWaalsContact CD1-CD2 3.47Å; F602-F606 AromaticContact CD1-CE2 3.54Å; F602-F606 HydrophobicContact CD1-CE2 3.54Å; F602-F606 HydrophobicContact CE1-CD2 4.19Å; F602-F606 AromaticContact CE1-CE2 3.8Å; F602-F606 HydrophobicContact CE1-CE2 3.8Å; F602-F606 HydrophobicContact CG-CD2 4.11Å; F602-F606 HydrophobicContact CG-CE2 4.29Å; F602-F606 WeakPolarHBondContact O-CB 3.4Å; F602-F606 WeakPolarHBondContact O-CD2 3.05Å; F602-F606 PolarHBondContact O-N 3.07Å
603E89.1Confident88.9Confident121 Ų12153.4 Ų53.457%0.56531%0.307SS*.Hα-helixtrans-61.1-33178.3-171.8176.9-161.400113.4Y203 D599 S605Y203-E603 HydrophobicContact CE1-CB 4.05Å; Y203-E603 HydrophobicContact CE1-CG 4.49Å; Y203-E603 PolarHBondContact OH-N 2.87Å; D599-E603 PolarHBondContact O-N 2.95Å; E603-S605 VanDerWaalsContact C-N 3.35Å
604V85.8Confident88.5Confident128 Ų12853 Ų5378%0.77631%0.306SS*.Hα-helixtrans-72.9-30.4174.4173.60000112A600 L601 F602A600-V604 WeakPolarHBondContact O-CG2 3.46Å; L601-V604 PolarHBondContact O-N 2.89Å; F602-V604 VanDerWaalsContact C-N 3.27Å; F602-V604 PolarHBondContact O-N 2.92Å
605S87.9Confident88.3Confident46 Ų4654.4 Ų54.432%0.32232%0.323SS..Hα-helixtrans-100-19.8-170-52.40000113.8V538 L601 F602 E603V538-S605 WeakPolarHBondContact CG2-OG 3.45Å; L601-S605 WeakPolarHBondContact O-CB 3.42Å; L601-S605 PolarHBondContact O-N 3.05Å; L601-S605 PolarHBondContact O-OG 3.35Å; F602-S605 CarbonylContact O-C 3.46Å; F602-S605 PolarHBondContact O-N 3.15Å; E603-S605 VanDerWaalsContact C-N 3.35Å
606F90Very high88.1Confident20 Ų2056.2 Ų56.29%0.08833%0.331CS..SBendtrans-134137.6-173.2-61.3-73.5000110Y203 D205 L206 T534 L535 V538 F602Y203-F606 HydrophobicContact CD1-CB 4Å; Y203-F606 HydrophobicContact CG-CB 3.86Å; D205-F606 VanDerWaalsContact OD1-CA 3.32Å; D205-F606 WeakPolarHBondContact OD1-CA 3.29Å; D205-F606 VanDerWaalsContact OD1-CB 3.28Å; D205-F606 WeakPolarHBondContact OD1-CB 3.38Å; L206-F606 HydrophobicContact CB-CD1 4.12Å; L206-F606 HydrophobicContact CB-CG 4.27Å; L206-F606 HydrophobicContact CD1-CD1 4.32Å; L206-F606 HydrophobicContact CD1-CD2 4.43Å; L206-F606 HydrophobicContact CD1-CE1 3.99Å; L206-F606 HydrophobicContact CD1-CE2 4.11Å; L206-F606 HydrophobicContact CD1-CZ 3.88Å; T534-F606 HydrophobicContact CG2-CZ 4.26Å; L535-F606 HydrophobicContact CB-CZ 4.24Å; L535-F606 HydrophobicContact CD1-CE2 4.48Å; L535-F606 HydrophobicContact CD1-CZ 4.22Å; V538-F606 HydrophobicContact CG1-CE2 4.45Å; V538-F606 HydrophobicContact CG2-CE2 4.43Å; F602-F606 HydrophobicContact CB-CD2 4.17Å; F602-F606 AromaticContact CD1-CD2 3.47Å; F602-F606 HydrophobicContact CD1-CD2 3.47Å; F602-F606 VanDerWaalsContact CD1-CD2 3.47Å; F602-F606 AromaticContact CD1-CE2 3.54Å; F602-F606 HydrophobicContact CD1-CE2 3.54Å; F602-F606 HydrophobicContact CE1-CD2 4.19Å; F602-F606 AromaticContact CE1-CE2 3.8Å; F602-F606 HydrophobicContact CE1-CE2 3.8Å; F602-F606 HydrophobicContact CG-CD2 4.11Å; F602-F606 HydrophobicContact CG-CE2 4.29Å; F602-F606 WeakPolarHBondContact O-CB 3.4Å; F602-F606 WeakPolarHBondContact O-CD2 3.05Å; F602-F606 PolarHBondContact O-N 3.07Å
607S84.8Confident88.1Confident48 Ų4851.2 Ų51.234%0.33631%0.305SS..  trans-72132.6-176.4-51.90000110.7Y203 G204 D205 S612Y203-S607 CarbonylContact C-O 3.59Å; Y203-S607 WeakPolarHBondContact CA-O 3.11Å; G204-S607 PolarHBondContact N-O 2.8Å; D205-S607 VanDerWaalsContact CG-N 3.25Å; D205-S607 PolarHBondContact OD1-N 2.77Å; D205-S607 WeakPolarHBondContact OD2-CB 3.32Å; D205-S607 PolarHBondContact OD2-N 3.04Å; D205-S607 PolarHBondContact OD2-OG 3.18Å; S607-S612 VanDerWaalsContact CB-OG 3.3Å; S607-S612 WeakPolarHBondContact CB-OG 3.31Å; S607-S612 PolarHBondContact O-OG 3.16Å
608P84.1Confident88.3Confident40 Ų4054.6 Ų54.626%0.2631%0.311SS..BIsolated β-bridgetrans-55152.2172.2-25.434.1000112.1A610 E611 S612P608-A610 PolarHBondContact O-N 3.13Å; P608-E611 PolarHBondContact O-N 3.41Å; P608-S612 WeakPolarHBondContact O-CB 3.42Å; P608-S612 PolarHBondContact O-N 3.26Å; P608-S612 VanDerWaalsContact O-N 3.12Å; P608-S612 PolarHBondContact O-OG 2.88Å
609L78.8Confident88.3Confident11 Ų1154.6 Ų54.66%0.05831%0.312CS..THydrogen-bonded Turntrans-58-37.9-178.5-155.478.6000112.7D201 R202 E611 S612 I629 H637 T644D201-L609 WeakPolarHBondContact O-CD2 3.38Å; R202-L609 PolarHBondContact O-N 3.04Å; L609-E611 PolarHBondContact O-N 3.08Å; L609-S612 PolarHBondContact O-N 2.85Å; L609-I629 HydrophobicContact CD1-CD1 3.24Å; L609-I629 HydrophobicContact CD2-CD1 4.48Å; L609-I629 HydrophobicContact CG-CD1 3.56Å; L609-H637 HydrophobicContact CD2-CB 3.73Å; L609-H637 WeakPolarHBondContact CD2-ND1 3.43Å; L609-H637 HydrophobicContact CG-CB 4Å; L609-H637 PolarHBondContact O-CD2 3.35Å; L609-T644 HydrophobicContact CD2-CG2 4.1Å; L609-T644 WeakPolarHBondContact CD2-OG1 3.46Å
610A78.5Confident88.4Confident43 Ų4354.5 Ų54.536%0.35531%0.313SS..THydrogen-bonded Turntrans-61.5-29.1178.900000112.9P608 K627 S639P608-A610 PolarHBondContact O-N 3.13Å; A610-K627 WeakPolarHBondContact O-CE 2.98Å; A610-K627 PolarHBondContact O-NZ 2.95Å; A610-S639 PolarHBondContact O-OG 3.27Å
611E81.7Confident88.7Confident143 Ų14357.3 Ų57.367%0.66832%0.318SS*.THydrogen-bonded Turntrans-93.3-20.8-178.9-62.2-170.5167.200112.3P608 L609 K627P608-E611 PolarHBondContact O-N 3.41Å; L609-E611 PolarHBondContact O-N 3.08Å; E611-K627 VanDerWaalsContact C-NZ 3.33Å; E611-K627 PolarHBondContact O-NZ 2.97Å; E611-K627 VanDerWaalsContact O-NZ 3.09Å
612S83.9Confident88.9Confident10 Ų1056.6 Ų56.67%0.0732%0.317CS..  trans-87.1152.5-170.8-62.30000115.3G204 S607 P608 L609 K627G204-S612 VanDerWaalsContact CA-CB 3.48Å; G204-S612 WeakPolarHBondContact CA-OG 3.19Å; S607-S612 VanDerWaalsContact CB-OG 3.3Å; S607-S612 WeakPolarHBondContact CB-OG 3.31Å; S607-S612 PolarHBondContact O-OG 3.16Å; P608-S612 WeakPolarHBondContact O-CB 3.42Å; P608-S612 PolarHBondContact O-N 3.26Å; P608-S612 VanDerWaalsContact O-N 3.12Å; P608-S612 PolarHBondContact O-OG 2.88Å; L609-S612 PolarHBondContact O-N 2.85Å; S612-K627 WeakPolarHBondContact O-CB 3.35Å; S612-K627 WeakPolarHBondContact O-CD 3.24Å
613G84.8Confident89Confident43 Ų4365 Ų6544%0.44335%0.349SS..SBendtrans86.2-179.6172.900000114.5Y628G613-Y628 WeakPolarHBondContact CA-O 3.27Å
614K90.1Very high89.2Confident161 Ų16166.3 Ų66.370%0.735%0.349SS*.EExtended strand (participates in β ladder)trans-115.8140.1-176-65-179.9-179.5178.80110.7H616 K627 Y628K614-H616 PolarHBondContact O-N 3.37Å; K614-K627 CarbonylContact O-C 3.51Å; K614-K627 WeakPolarHBondContact O-CA 3.44Å; K614-Y628 PolarHBondContact N-O 2.9Å; K614-Y628 PolarHBondContact O-N 3.22Å
615A92Very high89.6Confident74 Ų7465.6 Ų65.661%0.61233%0.333SS*.EExtended strand (participates in β ladder)trans-52.1129.817400000110.7Y625A615-Y625 HydrophobicContact CB-CG 4.25Å
616H92.5Very high90Very high47 Ų4763.4 Ų63.422%0.21832%0.317CS..EExtended strand (participates in β ladder)trans-133.1-64.2-172.1-16338.6000114.3K614 M626 Y628 L636 V654K614-H616 PolarHBondContact O-N 3.37Å; H616-M626 PolarHBondContact N-O 3.45Å; H616-Y628 VanDerWaalsContact CB-CB 3.49Å; H616-Y628 AromaticContact CD2-CG 3.88Å; H616-L636 HydrophobicContact CB-CD2 4.07Å; H616-V654 WeakPolarHBondContact O-CG2 3.44Å
617S94.5Very high90.1Very high0 Ų065 Ų650%032%0.324CS..EExtended strand (participates in β ladder)trans-134156.5-177.756.70000110.9Y625 M626 L636S617-Y625 CarbonylContact O-C 3.52Å; S617-Y625 WeakPolarHBondContact O-CA 3.36Å; S617-M626 WeakPolarHBondContact O-CB 3.38Å; S617-M626 PolarHBondContact O-N 3.34Å; S617-M626 WeakPolarHBondContact OG-CE 3.38Å; S617-L636 VanDerWaalsContact OG-CD1 3.29Å; S617-L636 WeakPolarHBondContact OG-CD1 3.29Å
618R95.8Very high90.4Very high109 Ų10964.4 Ų64.441%0.41132%0.315SS..EExtended strand (participates in β ladder)trans-85138.2-177.5-62.2-179179.7-176.23.3112.4R624 Y625 D666R618-R624 WeakPolarHBondContact CA-O 3.39Å; R618-Y625 HydrophobicContact CG-CD1 4.04Å; R618-Y625 HydrophobicContact CG-CE1 3.94Å; R618-Y625 HydrophobicContact CG-CG 4.39Å; R618-Y625 PolarHBondContact NE-OH 2.94Å; R618-Y625 PolarHBondContact NH2-OH 2.86Å; R618-D666 VanDerWaalsContact CB-OD2 3.3Å; R618-D666 WeakPolarHBondContact CB-OD2 3.42Å; R618-D666 WeakPolarHBondContact CG-OD2 3.41Å; R618-D666 PolarHBondContact N-OD2 3.08Å; R618-D666 PolarHBondContact O-N 2.74Å
619C95.8Very high90.6Very high1 Ų162.6 Ų62.61%0.00730%0.303CS..  trans-71.7130.4171.4178.30000109.7K621 R623 R624 M626 C638 F665C619-K621 VanDerWaalsContact C-N 3.26Å; C619-K621 PolarHBondContact O-N 2.68Å; C619-K621 PolarHBondContact SG-N 3.39Å; C619-K621 VanDerWaalsContact SG-N 3.44Å; C619-R623 WeakPolarHBondContact O-CA 3.3Å; C619-R623 PolarHBondContact O-N 3.16Å; C619-R624 PolarHBondContact N-O 3.1Å; C619-M626 HydrophobicContact CB-CG 3.72Å; C619-M626 HydrophobicContact CB-SD 3.97Å; C619-C638 HydrophobicContact CB-CB 4.35Å; C619-F665 HydrophobicContact CB-CE1 4.24Å; C619-F665 VanDerWaalsContact SG-CZ 3.57Å
620G94.8Very high90.9Very high11 Ų1168.5 Ų68.511%0.11333%0.33CS..THydrogen-bonded Turntrans-68.1-25.4177.400000113.8D663 D664 F665G620-D663 VanDerWaalsContact CA-O 3.3Å; G620-D663 WeakPolarHBondContact CA-O 3.41Å; G620-D664 VanDerWaalsContact CA-C 3.49Å; G620-D664 WeakPolarHBondContact CA-O 3.48Å; G620-F665 VanDerWaalsContact CA-CD2 3.41Å; G620-F665 VanDerWaalsContact N-CD2 3.25Å; G620-F665 VanDerWaalsContact N-CG 3.29Å
621K95.1Very high91Very high99 Ų9968.7 Ų68.743%0.4333%0.327SS..THydrogen-bonded Turntrans-72.5-53178.8-62.5177.5172179.10112.7C619 E643 F665C619-K621 VanDerWaalsContact C-N 3.26Å; C619-K621 PolarHBondContact O-N 2.68Å; C619-K621 PolarHBondContact SG-N 3.39Å; C619-K621 VanDerWaalsContact SG-N 3.44Å; K621-E643 IonicContact NZ-OE1 3.69Å; K621-E643 PolarHBondContact NZ-OE1 3.24Å; K621-E643 IonicContact NZ-OE2 3.13Å; K621-E643 PolarHBondContact NZ-OE2 3.49Å; K621-F665 HydrophobicContact CG-CE2 4.08Å; K621-F665 HydrophobicContact CG-CZ 4.19Å
622C95.2Very high90.5Very high33 Ų3369 Ų6922%0.22333%0.326CS..THydrogen-bonded Turntrans-109.3-4.8-173.973.70000114.5R624 C638 C641C622-R624 PolarHBondContact O-N 3.03Å; C622-C638 PolarHBondContact SG-SG 3.15Å; C622-C641 VanDerWaalsContact SG-SG 3.68Å
623R93.8Very high90.3Very high177 Ų17771.8 Ų71.867%0.66834%0.344SS*.  trans625.1-178.7-57.1-178.8173.91721.8116C619 D664C619-R623 WeakPolarHBondContact O-CA 3.3Å; C619-R623 PolarHBondContact O-N 3.16Å; R623-D664 IonicContact NE-OD2 2.85Å
624R93.5Very high90.4Very high149 Ų14971.1 Ų71.156%0.56233%0.334SS*.SBendtrans-85.1157.6174.5-58.7-173.6-175.6-166.95.6111.1R618 C619 C622 M626 H640R618-R624 WeakPolarHBondContact CA-O 3.39Å; C619-R624 PolarHBondContact N-O 3.1Å; C622-R624 PolarHBondContact O-N 3.03Å; R624-M626 PolarHBondContact O-N 3.44Å; R624-H640 PolarHBondContact NH1-CD2 2.91Å; R624-H640 PolarHBondContact NH2-NE2 3.15Å
625Y94.4Very high90.4Very high112 Ų11263.7 Ų63.744%0.43930%0.302SS..EExtended strand (participates in β ladder)trans-64.1128.5173.8-75-79.2000111.2A615 S617 R618A615-Y625 HydrophobicContact CB-CG 4.25Å; S617-Y625 CarbonylContact O-C 3.52Å; S617-Y625 WeakPolarHBondContact O-CA 3.36Å; R618-Y625 HydrophobicContact CG-CD1 4.04Å; R618-Y625 HydrophobicContact CG-CE1 3.94Å; R618-Y625 HydrophobicContact CG-CG 4.39Å; R618-Y625 PolarHBondContact NE-OH 2.94Å; R618-Y625 PolarHBondContact NH2-OH 2.86Å
626M94.8Very high90.5Very high0 Ų060.2 Ų60.20%027%0.273CS..EExtended strand (participates in β ladder)trans-79.1145.8163.3-58-174.3-75.400109.4H616 S617 C619 R624 L636 H637 C638 Y645 F665 P683H616-M626 PolarHBondContact N-O 3.45Å; S617-M626 WeakPolarHBondContact O-CB 3.38Å; S617-M626 PolarHBondContact O-N 3.34Å; S617-M626 WeakPolarHBondContact OG-CE 3.38Å; C619-M626 HydrophobicContact CB-CG 3.72Å; C619-M626 HydrophobicContact CB-SD 3.97Å; R624-M626 PolarHBondContact O-N 3.44Å; M626-L636 HydrophobicContact CB-CB 4.42Å; M626-L636 HydrophobicContact CB-CD2 4.12Å; M626-L636 HydrophobicContact CE-CD1 3.89Å; M626-L636 HydrophobicContact SD-CB 4.47Å; M626-H637 CarbonylContact C-O 3.25Å; M626-H637 VanDerWaalsContact CA-O 3.27Å; M626-H637 WeakPolarHBondContact CA-O 3.29Å; M626-H637 WeakPolarHBondContact CB-O 3.2Å; M626-C638 HydrophobicContact CG-CB 3.81Å; M626-C638 HydrophobicContact SD-CB 4.25Å; M626-Y645 HydrophobicContact SD-CD2 3.64Å; M626-Y645 HydrophobicContact SD-CE2 3.56Å; M626-Y645 VanDerWaalsContact SD-CE2 3.56Å; M626-F665 HydrophobicContact CE-CD1 3.79Å; M626-F665 HydrophobicContact CE-CE1 4Å; M626-F665 HydrophobicContact SD-CD1 4.33Å; M626-F665 HydrophobicContact SD-CE1 3.9Å; M626-P683 HydrophobicContact CE-CG 4.46Å
627K92.5Very high90.5Very high55 Ų5558 Ų5824%0.23926%0.263CS..EExtended strand (participates in β ladder)trans-86.6129175.6-62-169.7179.9-178.80110.1A610 E611 S612 K614 L636 H637A610-K627 WeakPolarHBondContact O-CE 2.98Å; A610-K627 PolarHBondContact O-NZ 2.95Å; E611-K627 VanDerWaalsContact C-NZ 3.33Å; E611-K627 PolarHBondContact O-NZ 2.97Å; E611-K627 VanDerWaalsContact O-NZ 3.09Å; S612-K627 WeakPolarHBondContact O-CB 3.35Å; S612-K627 WeakPolarHBondContact O-CD 3.24Å; K614-K627 CarbonylContact O-C 3.51Å; K614-K627 WeakPolarHBondContact O-CA 3.44Å; K627-L636 CarbonylContact O-C 3.59Å; K627-L636 WeakPolarHBondContact O-CA 3.37Å; K627-H637 PolarHBondContact N-O 2.93Å; K627-H637 PolarHBondContact O-N 2.88Å
628Y92.4Very high90.5Very high35 Ų3558.1 Ų58.114%0.13726%0.263CS..EExtended strand (participates in β ladder)trans-86.2120.4169.8178.8-133.8000110.1G613 K614 H616 Q630 A634 L636 L647G613-Y628 WeakPolarHBondContact CA-O 3.27Å; K614-Y628 PolarHBondContact N-O 2.9Å; K614-Y628 PolarHBondContact O-N 3.22Å; H616-Y628 VanDerWaalsContact CB-CB 3.49Å; H616-Y628 AromaticContact CD2-CG 3.88Å; Y628-Q630 HydrophobicContact CD1-CG 3.73Å; Y628-Q630 HydrophobicContact CE1-CG 3.34Å; Y628-A634 HydrophobicContact CE2-CB 4.02Å; Y628-L636 HydrophobicContact CD2-CD2 4.44Å; Y628-L647 HydrophobicContact CD2-CD1 3.67Å; Y628-L647 HydrophobicContact CE2-CD1 3.39Å
629I88.8Confident90.1Very high2 Ų255.3 Ų55.31%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-108.4112.4-179.2-60.9174.2000106.7G204 L609 A634 R635 H637G204-I629 WeakPolarHBondContact O-CG2 3.35Å; L609-I629 HydrophobicContact CD1-CD1 3.24Å; L609-I629 HydrophobicContact CD2-CD1 4.48Å; L609-I629 HydrophobicContact CG-CD1 3.56Å; I629-A634 VanDerWaalsContact O-CA 3.29Å; I629-A634 WeakPolarHBondContact O-CA 3.46Å; I629-R635 HydrophobicContact CB-CG 3.95Å; I629-R635 HydrophobicContact CD1-CG 4.48Å; I629-R635 HydrophobicContact CG2-CG 4.37Å; I629-R635 PolarHBondContact N-O 3.24Å; I629-R635 PolarHBondContact O-N 2.93Å; I629-H637 HydrophobicContact CD1-CB 4.06Å
630Q84.7Confident89.9Confident135 Ų13560.4 Ų60.463%0.63128%0.284SS*.  trans-84.1-23.2-172.8-71.4-177.8-6.400113.2Y628 K632Y628-Q630 HydrophobicContact CD1-CG 3.73Å; Y628-Q630 HydrophobicContact CE1-CG 3.34Å; Q630-K632 PolarHBondContact O-N 3.21Å
631T79.8Confident89.8Confident47 Ų4761.6 Ų61.629%0.28829%0.29SS..SBendtrans-54.1132.3174.6-41.90000109.1G204 D207 P633 R635G204-T631 WeakPolarHBondContact O-CB 3.4Å; G204-T631 PolarHBondContact O-OG1 3.26Å; D207-T631 HydrophobicContact CB-CG2 4.11Å; T631-P633 CarbonylContact O-C 3.57Å; T631-R635 PolarHBondContact O-NH1 2.72Å
632K72Confident89.5Confident150 Ų15063 Ų6365%0.65230%0.302SS*.SBendtrans-69.6145-173.1-68.7178-177.5172.30110.9D207 Q630D207-K632 WeakPolarHBondContact CA-O 3.42Å; D207-K632 VanDerWaalsContact CG-O 3.24Å; D207-K632 VanDerWaalsContact OD1-O 3.09Å; Q630-K632 PolarHBondContact O-N 3.21Å
633P79Confident89.2Confident67 Ų6764.2 Ų64.244%0.43531%0.305SS..SBendcis-66.9137.1-14.830.5-34000111.3T631 R635T631-P633 CarbonylContact O-C 3.57Å; P633-R635 PolarHBondContact O-NH1 3.3Å
634A86.2Confident89Confident29 Ų2958 Ų5824%0.2429%0.286CS..PPolyproline II helixtrans-66.3139.7-178.700000111Y628 I629Y628-A634 HydrophobicContact CE2-CB 4.02Å; I629-A634 VanDerWaalsContact O-CA 3.29Å; I629-A634 WeakPolarHBondContact O-CA 3.46Å
635R91.4Very high89.1Confident6 Ų650.9 Ų50.92%0.02326%0.26CS..EExtended strand (participates in β ladder)trans-151.5159.8-170.157.8-156.3177.5-80.76.2112.7D201 Y203 G204 I629 T631 P633 T644D201-R635 WeakPolarHBondContact OD1-CD 3.32Å; D201-R635 IonicContact OD1-NE 2.97Å; D201-R635 PolarHBondContact OD1-NE 3.45Å; Y203-R635 PolarHBondContact O-NH2 3.39Å; G204-R635 PolarHBondContact O-NH2 2.82Å; I629-R635 HydrophobicContact CB-CG 3.95Å; I629-R635 HydrophobicContact CD1-CG 4.48Å; I629-R635 HydrophobicContact CG2-CG 4.37Å; I629-R635 PolarHBondContact N-O 3.24Å; I629-R635 PolarHBondContact O-N 2.93Å; T631-R635 PolarHBondContact O-NH1 2.72Å; P633-R635 PolarHBondContact O-NH1 3.3Å; R635-T644 HydrophobicContact CB-CG2 4.07Å; R635-T644 HydrophobicContact CG-CG2 4.18Å
636L93.2Very high88.9Confident0 Ų047.6 Ų47.60%026%0.255CS..EExtended strand (participates in β ladder)trans-105.6137.2167.3-80.6173.3000110H616 S617 M626 K627 Y628 T644 Y645 L647 L668 P683H616-L636 HydrophobicContact CB-CD2 4.07Å; S617-L636 VanDerWaalsContact OG-CD1 3.29Å; S617-L636 WeakPolarHBondContact OG-CD1 3.29Å; M626-L636 HydrophobicContact CB-CB 4.42Å; M626-L636 HydrophobicContact CB-CD2 4.12Å; M626-L636 HydrophobicContact CE-CD1 3.89Å; M626-L636 HydrophobicContact SD-CB 4.47Å; K627-L636 CarbonylContact O-C 3.59Å; K627-L636 WeakPolarHBondContact O-CA 3.37Å; Y628-L636 HydrophobicContact CD2-CD2 4.44Å; L636-T644 CarbonylContact O-C 3.37Å; L636-T644 WeakPolarHBondContact O-CA 3.37Å; L636-Y645 PolarHBondContact N-O 3.15Å; L636-Y645 PolarHBondContact O-N 3.31Å; L636-L647 HydrophobicContact CD1-CD2 4.04Å; L636-L647 HydrophobicContact CG-CD1 4.21Å; L636-L647 HydrophobicContact CG-CD2 4.13Å; L636-L668 HydrophobicContact CD1-CD1 3.53Å; L636-P683 HydrophobicContact CD1-CB 4.24Å; L636-P683 HydrophobicContact CD1-CG 3.98Å
637H93.3Very high88.8Confident2 Ų248.3 Ų48.31%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-127.1129.7176.1178.364.5000111.3L609 M626 K627 I629 D642 E643 T644L609-H637 HydrophobicContact CD2-CB 3.73Å; L609-H637 WeakPolarHBondContact CD2-ND1 3.43Å; L609-H637 HydrophobicContact CG-CB 4Å; L609-H637 PolarHBondContact O-CD2 3.35Å; M626-H637 CarbonylContact C-O 3.25Å; M626-H637 VanDerWaalsContact CA-O 3.27Å; M626-H637 WeakPolarHBondContact CA-O 3.29Å; M626-H637 WeakPolarHBondContact CB-O 3.2Å; K627-H637 PolarHBondContact N-O 2.93Å; K627-H637 PolarHBondContact O-N 2.88Å; I629-H637 HydrophobicContact CD1-CB 4.06Å; H637-D642 IonicContact CE1-OD1 2.8Å; H637-D642 PolarHBondContact CE1-OD1 2.98Å; H637-D642 IonicContact NE2-OD1 2.89Å; H637-E643 WeakPolarHBondContact CA-O 3.37Å; H637-E643 PolarHBondContact ND1-O 3.29Å; H637-T644 PolarHBondContact ND1-OG1 3.07Å
638C93.3Very high88.7Confident1 Ų146 Ų461%0.00725%0.25CS..EExtended strand (participates in β ladder)trans-97.299173.2-172.60000110.1C619 C622 M626 H640 C641 D642 E643C619-C638 HydrophobicContact CB-CB 4.35Å; C622-C638 PolarHBondContact SG-SG 3.15Å; M626-C638 HydrophobicContact CG-CB 3.81Å; M626-C638 HydrophobicContact SD-CB 4.25Å; C638-H640 PolarHBondContact O-N 3.12Å; C638-C641 HydrophobicContact CB-CB 4.17Å; C638-C641 PolarHBondContact O-N 2.93Å; C638-C641 VanDerWaalsContact O-N 3.16Å; C638-C641 VanDerWaalsContact SG-SG 3.64Å; C638-D642 WeakPolarHBondContact O-CA 3.45Å; C638-D642 PolarHBondContact O-N 3.49Å; C638-E643 PolarHBondContact N-O 3.18Å; C638-E643 PolarHBondContact O-N 3.08Å
639S89.1Confident88.3Confident51 Ų5151.9 Ų51.936%0.35728%0.282SS..THydrogen-bonded Turntrans-59.6-18.7-178.6-45.40000114.8A610A610-S639 PolarHBondContact O-OG 3.27Å
640H90.9Very high88.2Confident107 Ų10753.6 Ų53.650%0.49530%0.3SS..THydrogen-bonded Turntrans-91.9-33.2179-170.5-75.6000113.3R624 C638 D642R624-H640 PolarHBondContact NH1-CD2 2.91Å; R624-H640 PolarHBondContact NH2-NE2 3.15Å; C638-H640 PolarHBondContact O-N 3.12Å; H640-D642 VanDerWaalsContact C-N 3.35Å
641C91.9Very high88.4Confident37 Ų3752.5 Ų52.525%0.2530%0.299CS..THydrogen-bonded Turntrans-89.6-11.7174.2-57.20000111.7C622 C638 E643C622-C641 VanDerWaalsContact SG-SG 3.68Å; C638-C641 HydrophobicContact CB-CB 4.17Å; C638-C641 PolarHBondContact O-N 2.93Å; C638-C641 VanDerWaalsContact O-N 3.16Å; C638-C641 VanDerWaalsContact SG-SG 3.64Å; C641-E643 VanDerWaalsContact C-N 3.25Å; C641-E643 HydrophobicContact CB-CB 4.35Å; C641-E643 HydrophobicContact CB-CG 4.31Å; C641-E643 PolarHBondContact O-N 3.39Å
642D89Confident89Confident127 Ų12751.1 Ų51.168%0.67929%0.29SS*.THydrogen-bonded Turntrans52.343.5-170.2-160.429.7000112.7H637 C638 H640H637-D642 IonicContact CE1-OD1 2.8Å; H637-D642 PolarHBondContact CE1-OD1 2.98Å; H637-D642 IonicContact NE2-OD1 2.89Å; C638-D642 WeakPolarHBondContact O-CA 3.45Å; C638-D642 PolarHBondContact O-N 3.49Å; H640-D642 VanDerWaalsContact C-N 3.35Å
643E90Very high90Very high60 Ų6049.2 Ų49.228%0.2828%0.282SS..EExtended strand (participates in β ladder)trans-121139.7-178.7-75.4-175.2-15400111.3K621 H637 C638 C641 Y645K621-E643 IonicContact NZ-OE1 3.69Å; K621-E643 PolarHBondContact NZ-OE1 3.24Å; K621-E643 IonicContact NZ-OE2 3.13Å; K621-E643 PolarHBondContact NZ-OE2 3.49Å; H637-E643 WeakPolarHBondContact CA-O 3.37Å; H637-E643 PolarHBondContact ND1-O 3.29Å; C638-E643 PolarHBondContact N-O 3.18Å; C638-E643 PolarHBondContact O-N 3.08Å; C641-E643 VanDerWaalsContact C-N 3.25Å; C641-E643 HydrophobicContact CB-CB 4.35Å; C641-E643 HydrophobicContact CB-CG 4.31Å; C641-E643 PolarHBondContact O-N 3.39Å; E643-Y645 HydrophobicContact CB-CE1 4.49Å; E643-Y645 HydrophobicContact CB-CE2 4.22Å; E643-Y645 PolarHBondContact OE2-OH 3.07Å
644T90.2Very high90.7Very high45 Ų4548.2 Ų48.228%0.27627%0.274SS..EExtended strand (participates in β ladder)trans-116.7135.5-179.9-56.60000110.2D201 L609 R635 L636 H637D201-T644 HydrophobicContact CB-CG2 4.32Å; L609-T644 HydrophobicContact CD2-CG2 4.1Å; L609-T644 WeakPolarHBondContact CD2-OG1 3.46Å; R635-T644 HydrophobicContact CB-CG2 4.07Å; R635-T644 HydrophobicContact CG-CG2 4.18Å; L636-T644 CarbonylContact O-C 3.37Å; L636-T644 WeakPolarHBondContact O-CA 3.37Å; H637-T644 PolarHBondContact ND1-OG1 3.07Å
645Y93.7Very high91Very high1 Ų147.2 Ų47.20%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-120.6123.2-177.6-54.9-71.1000109.4M626 L636 E643 F665 Y684 N687M626-Y645 HydrophobicContact SD-CD2 3.64Å; M626-Y645 HydrophobicContact SD-CE2 3.56Å; M626-Y645 VanDerWaalsContact SD-CE2 3.56Å; L636-Y645 PolarHBondContact N-O 3.15Å; L636-Y645 PolarHBondContact O-N 3.31Å; E643-Y645 HydrophobicContact CB-CE1 4.49Å; E643-Y645 HydrophobicContact CB-CE2 4.22Å; E643-Y645 PolarHBondContact OE2-OH 3.07Å; Y645-F665 HydrophobicContact CD2-CE1 4.48Å; Y645-F665 AromaticContact CE2-CE1 3.76Å; Y645-F665 HydrophobicContact CE2-CE1 3.76Å; Y645-F665 HydrophobicContact CE2-CZ 4.23Å; Y645-F665 AromaticContact CZ-CE1 3.84Å; Y645-F665 AromaticContact CZ-CZ 3.86Å; Y645-F665 WeakPolarHBondContact OH-CZ 3.35Å; Y645-Y684 AromaticContact CE1-CD2 3.67Å; Y645-Y684 HydrophobicContact CE1-CD2 3.67Å; Y645-Y684 HydrophobicContact CE1-CE2 4.3Å; Y645-N687 HydrophobicContact CD1-CB 4.38Å
646A91.5Very high90.7Very high42 Ų4254.2 Ų54.235%0.34729%0.291SS..EExtended strand (participates in β ladder)trans-65.3151173.300000110.6Y686 N687 L697A646-Y686 WeakPolarHBondContact O-CD1 3.5Å; A646-N687 VanDerWaalsContact CB-OD1 3.23Å; A646-N687 WeakPolarHBondContact CB-OD1 3.45Å; A646-N687 PolarHBondContact N-ND2 3.04Å; A646-N687 PolarHBondContact N-OD1 3.04Å; A646-N687 PolarHBondContact O-ND2 2.57Å; A646-L697 HydrophobicContact CB-CD2 4.47Å
647L92.1Very high90.2Very high16 Ų1661.2 Ų61.28%0.08432%0.324CS..  trans-121.5153178-61.1174.8000111.1Y628 L636 V652 L668 F681Y628-L647 HydrophobicContact CD2-CD1 3.67Å; Y628-L647 HydrophobicContact CE2-CD1 3.39Å; L636-L647 HydrophobicContact CD1-CD2 4.04Å; L636-L647 HydrophobicContact CG-CD1 4.21Å; L636-L647 HydrophobicContact CG-CD2 4.13Å; L647-V652 HydrophobicContact CB-CG2 4.39Å; L647-V652 HydrophobicContact CD1-CG1 4.47Å; L647-V652 HydrophobicContact CD2-CG1 4.5Å; L647-L668 HydrophobicContact CD2-CD1 3.92Å; L647-F681 HydrophobicContact CD2-CE2 3.88Å; L647-F681 HydrophobicContact CD2-CZ 3.87Å
648P90.2Very high90.2Very high7 Ų765.3 Ų65.35%0.04534%0.341CS..  trans-64.8145.4173.426.6-33.8000111.8G650 V652 F670 F681 Y686P648-G650 PolarHBondContact O-N 3.12Å; P648-G650 VanDerWaalsContact O-N 3.08Å; P648-V652 HydrophobicContact CG-CG2 4.19Å; P648-F670 HydrophobicContact CB-CB 4.46Å; P648-F670 HydrophobicContact CB-CD1 4.46Å; P648-F670 HydrophobicContact CB-CD2 3.52Å; P648-F670 HydrophobicContact CB-CE2 3.71Å; P648-F670 HydrophobicContact CB-CG 3.89Å; P648-F670 HydrophobicContact CB-CZ 4.25Å; P648-F670 HydrophobicContact CG-CB 3.7Å; P648-F670 HydrophobicContact CG-CD2 3.43Å; P648-F670 VanDerWaalsContact CG-CD2 3.43Å; P648-F670 HydrophobicContact CG-CE2 4.16Å; P648-F670 HydrophobicContact CG-CG 3.64Å; P648-F681 VanDerWaalsContact CD-CZ 3.41Å; P648-F681 HydrophobicContact CG-CD1 4.34Å; P648-F681 HydrophobicContact CG-CE1 3.76Å; P648-F681 HydrophobicContact CG-CE2 4.38Å; P648-F681 HydrophobicContact CG-CZ 3.78Å; P648-Y686 WeakPolarHBondContact CA-OH 3.4Å; P648-Y686 HydrophobicContact CB-CE2 4.37Å; P648-Y686 WeakPolarHBondContact CB-OH 3.28Å
649I84.7Confident90.3Very high158 Ų15869.6 Ų69.681%0.8136%0.36SS*.SBendtrans-73.1101.9-178.9-57.3172.7000110.1F670I649-F670 WeakPolarHBondContact O-CE2 3.47Å
650G86Confident90.6Very high38 Ų3867.5 Ų67.539%0.39235%0.345SS..SBendtrans159.7-155.2177.700000111.1P648P648-G650 PolarHBondContact O-N 3.12Å; P648-G650 VanDerWaalsContact O-N 3.08Å
651N89.1Confident90.9Very high112 Ų11265.6 Ų65.660%0.59934%0.342SS*.EExtended strand (participates in β ladder)trans-81.4129.1177-63.4-58.1000110.1F670 S671N651-F670 CarbonylContact O-C 3.59Å; N651-F670 WeakPolarHBondContact O-CA 3.42Å; N651-S671 WeakPolarHBondContact CB-O 3.5Å; N651-S671 PolarHBondContact N-O 3.34Å; N651-S671 PolarHBondContact O-N 2.85Å
652V92.1Very high91Very high17 Ų1767.7 Ų67.710%0.10335%0.351CS..EExtended strand (participates in β ladder)trans-122.3134.6176.5178.40000108.8L647 P648 L668 A669 F681L647-V652 HydrophobicContact CB-CG2 4.39Å; L647-V652 HydrophobicContact CD1-CG1 4.47Å; L647-V652 HydrophobicContact CD2-CG1 4.5Å; P648-V652 HydrophobicContact CG-CG2 4.19Å; V652-L668 HydrophobicContact CG1-CB 4.03Å; V652-L668 HydrophobicContact CG1-CD1 3.68Å; V652-L668 HydrophobicContact CG1-CG 4.32Å; V652-A669 WeakPolarHBondContact CA-O 3.5Å; V652-F681 HydrophobicContact CG1-CE1 4.24Å; V652-F681 HydrophobicContact CG1-CZ 3.97Å; V652-F681 HydrophobicContact CG2-CZ 4.37Å
653K92.7Very high91.2Very high111 Ų11163.1 Ų63.148%0.48333%0.326SS..EExtended strand (participates in β ladder)trans-143.9158.6175.664.5-179.7-178.6178.60110.9Y655 L668 A669K653-Y655 PolarHBondContact O-N 3.35Å; K653-L668 CarbonylContact O-C 3.51Å; K653-L668 VanDerWaalsContact O-CA 3.29Å; K653-L668 WeakPolarHBondContact O-CA 3.45Å; K653-A669 HydrophobicContact CG-CB 4.06Å; K653-A669 PolarHBondContact N-O 3.19Å; K653-A669 VanDerWaalsContact N-O 3.11Å; K653-A669 PolarHBondContact O-N 3.14Å
654V94Very high91.5Very high45 Ų4562.6 Ų62.627%0.27333%0.325SS..EExtended strand (participates in β ladder)trans-60.5132.2170.5-177.50000110H616 L668H616-V654 WeakPolarHBondContact O-CG2 3.44Å; V654-L668 HydrophobicContact CG2-CD2 4.28Å
655Y93.1Very high91.8Very high8 Ų860.6 Ų60.63%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-100.588.6-178.3-175-129.6000111.6K653 E657 F658 L667 A669 P680 H710 C732 T733K653-Y655 PolarHBondContact O-N 3.35Å; Y655-E657 PolarHBondContact O-N 3.45Å; Y655-F658 AromaticContact CD1-CD2 3.84Å; Y655-F658 HydrophobicContact CD1-CD2 3.84Å; Y655-F658 AromaticContact CE1-CD2 3.69Å; Y655-F658 HydrophobicContact CE1-CD2 3.69Å; Y655-F658 HydrophobicContact CE1-CE2 4.11Å; Y655-F658 PolarHBondContact O-N 3Å; Y655-L667 WeakPolarHBondContact CB-O 3.45Å; Y655-L667 HydrophobicContact CD1-CB 4.31Å; Y655-L667 PolarHBondContact N-O 2.78Å; Y655-A669 HydrophobicContact CD2-CB 3.96Å; Y655-A669 HydrophobicContact CG-CB 4.14Å; Y655-P680 HydrophobicContact CD1-CB 3.69Å; Y655-P680 HydrophobicContact CE1-CB 3.79Å; Y655-P680 HydrophobicContact CE1-CG 4.32Å; Y655-P680 HydrophobicContact CG-CB 4.43Å; Y655-H710 AromaticContact CE1-CE1 3.59Å; Y655-H710 AromaticContact CE1-NE2 3.57Å; Y655-C732 PolarHBondContact OH-O 3.19Å; Y655-C732 PolarHBondContact OH-SG 2.78Å; Y655-T733 HydrophobicContact CD2-CG2 4.47Å; Y655-T733 HydrophobicContact CE2-CG2 4.14Å
656R84.4Confident92Very high153 Ų15361 Ų6158%0.57732%0.315SS*.EExtended strand (participates in β ladder)trans50.827.5171.2-58.9-177.6178.7-178.10.6114.7F658R656-F658 HydrophobicContact CB-CD2 3.88Å; R656-F658 HydrophobicContact CB-CE2 3.75Å; R656-F658 HydrophobicContact CB-CG 4.43Å; R656-F658 HydrophobicContact CB-CZ 4.17Å; R656-F658 HydrophobicContact CG-CE2 4.34Å; R656-F658 PolarHBondContact O-N 2.94Å
657E83.6Confident92.2Very high148 Ų14859.1 Ų59.169%0.69230%0.299SS*.EExtended strand (participates in β ladder)trans54.120.5-176.4-55.1-175.4166.400114.3Y655Y655-E657 PolarHBondContact O-N 3.45Å
658F93.2Very high92.4Very high87 Ų8758.4 Ų58.438%0.38230%0.295SS..EExtended strand (participates in β ladder)trans-67.6149.4173.1-67.7-42.7000110.1Y655 R656 D666 L667 H710Y655-F658 AromaticContact CD1-CD2 3.84Å; Y655-F658 HydrophobicContact CD1-CD2 3.84Å; Y655-F658 AromaticContact CE1-CD2 3.69Å; Y655-F658 HydrophobicContact CE1-CD2 3.69Å; Y655-F658 HydrophobicContact CE1-CE2 4.11Å; Y655-F658 PolarHBondContact O-N 3Å; R656-F658 HydrophobicContact CB-CD2 3.88Å; R656-F658 HydrophobicContact CB-CE2 3.75Å; R656-F658 HydrophobicContact CB-CG 4.43Å; R656-F658 HydrophobicContact CB-CZ 4.17Å; R656-F658 HydrophobicContact CG-CE2 4.34Å; R656-F658 PolarHBondContact O-N 2.94Å; F658-D666 CarbonylContact O-C 3.27Å; F658-D666 WeakPolarHBondContact O-CA 3.13Å; F658-L667 HydrophobicContact CB-CB 4.39Å; F658-L667 HydrophobicContact CB-CD1 3.95Å; F658-L667 HydrophobicContact CB-CG 4.34Å; F658-L667 WeakPolarHBondContact O-CB 3.48Å; F658-L667 PolarHBondContact O-N 3.24Å; F658-H710 AromaticContact CD2-NE2 3.77Å
659K95.5Very high92.6Very high91 Ų9158.2 Ų58.240%0.39630%0.295SS..EExtended strand (participates in β ladder)trans-115.2148.5-179.5-58.5-164.5-179.1-168.80111.6D664 F665K659-D664 WeakPolarHBondContact CD-OD1 3.39Å; K659-D664 VanDerWaalsContact NZ-CG 3.33Å; K659-D664 IonicContact NZ-OD1 3.89Å; K659-D664 PolarHBondContact NZ-OD1 3.26Å; K659-D664 IonicContact NZ-OD2 3.74Å; K659-D664 PolarHBondContact NZ-OD2 2.91Å; K659-F665 CarbonylContact C-O 3.52Å; K659-F665 WeakPolarHBondContact CA-O 3.5Å
660C95.9Very high93Very high7 Ų751.2 Ų51.25%0.04726%0.258CS..  trans-69.5127.9170.2-172.30000109.6L662 D663 D664 F665 L667 C682C660-L662 PolarHBondContact O-N 2.94Å; C660-D663 WeakPolarHBondContact CB-OD1 3.43Å; C660-D664 WeakPolarHBondContact O-CA 3.21Å; C660-D664 PolarHBondContact O-N 3Å; C660-F665 PolarHBondContact N-O 2.89Å; C660-L667 HydrophobicContact CB-CD2 3.93Å; C660-C682 HydrophobicContact CB-CB 3.86Å
661P95.5Very high93.2Very high68 Ų6850.3 Ų50.344%0.44225%0.246SC..THydrogen-bonded Turntrans-71.2-9.6179.529.6-37000113.8C708P661-C708 HydrophobicContact CG-CB 4.03Å
662L94.4Very high93.1Very high81 Ų8148.9 Ų48.942%0.42424%0.241SC..THydrogen-bonded Turntrans-88.8-37.1179.3-66.6174.4000112.7C660 P690 F691 N705C660-L662 PolarHBondContact O-N 2.94Å; L662-P690 HydrophobicContact CD1-CB 4.23Å; L662-P690 HydrophobicContact CD1-CG 3.79Å; L662-F691 HydrophobicContact CD1-CE2 4.07Å; L662-F691 HydrophobicContact CD1-CZ 3.87Å; L662-N705 HydrophobicContact CD1-CB 4.34Å; L662-N705 WeakPolarHBondContact CD2-ND2 3.37Å; L662-N705 WeakPolarHBondContact CG-ND2 3.45Å
663D93.9Very high92.5Very high30 Ų3049.3 Ų49.316%0.1625%0.249CC..THydrogen-bonded Turntrans-137.20.5-165.359.139.2000114.2G620 C660 F665 C682 Y684 C685G620-D663 VanDerWaalsContact CA-O 3.3Å; G620-D663 WeakPolarHBondContact CA-O 3.41Å; C660-D663 WeakPolarHBondContact CB-OD1 3.43Å; D663-F665 HydrophobicContact CB-CD2 3.95Å; D663-F665 HydrophobicContact CB-CE2 4.48Å; D663-F665 WeakPolarHBondContact O-CD2 3.47Å; D663-F665 PolarHBondContact O-N 2.94Å; D663-F665 VanDerWaalsContact O-N 3.14Å; D663-F665 VanDerWaalsContact OD1-CB 3.31Å; D663-F665 WeakPolarHBondContact OD1-CB 3.46Å; D663-F665 WeakPolarHBondContact OD1-CD2 3.37Å; D663-F665 PolarHBondContact OD1-N 3.41Å; D663-C682 PolarHBondContact OD1-SG 3.06Å; D663-C682 VanDerWaalsContact OD1-SG 3.34Å; D663-C682 PolarHBondContact OD2-SG 3.35Å; D663-Y684 HydrophobicContact CB-CD1 4.08Å; D663-C685 PolarHBondContact OD2-SG 2.88Å
664D95.6Very high91.6Very high50 Ų5049.6 Ų49.627%0.26726%0.26SS..  trans61.312.2179.9-156.145.9000114.7G620 R623 K659 C660G620-D664 VanDerWaalsContact CA-C 3.49Å; G620-D664 WeakPolarHBondContact CA-O 3.48Å; R623-D664 IonicContact NE-OD2 2.85Å; K659-D664 WeakPolarHBondContact CD-OD1 3.39Å; K659-D664 VanDerWaalsContact NZ-CG 3.33Å; K659-D664 IonicContact NZ-OD1 3.89Å; K659-D664 PolarHBondContact NZ-OD1 3.26Å; K659-D664 IonicContact NZ-OD2 3.74Å; K659-D664 PolarHBondContact NZ-OD2 2.91Å; C660-D664 WeakPolarHBondContact O-CA 3.21Å; C660-D664 PolarHBondContact O-N 3Å
665F97.1Very high90.6Very high2 Ų256.6 Ų56.61%0.00929%0.287CS..PPolyproline II helixtrans-70.2141.1172.3-81.4-107.9000111C619 G620 K621 M626 Y645 K659 C660 D663 L667 Y684C619-F665 HydrophobicContact CB-CE1 4.24Å; C619-F665 VanDerWaalsContact SG-CZ 3.57Å; G620-F665 VanDerWaalsContact CA-CD2 3.41Å; G620-F665 VanDerWaalsContact N-CD2 3.25Å; G620-F665 VanDerWaalsContact N-CG 3.29Å; K621-F665 HydrophobicContact CG-CE2 4.08Å; K621-F665 HydrophobicContact CG-CZ 4.19Å; M626-F665 HydrophobicContact CE-CD1 3.79Å; M626-F665 HydrophobicContact CE-CE1 4Å; M626-F665 HydrophobicContact SD-CD1 4.33Å; M626-F665 HydrophobicContact SD-CE1 3.9Å; Y645-F665 HydrophobicContact CD2-CE1 4.48Å; Y645-F665 AromaticContact CE2-CE1 3.76Å; Y645-F665 HydrophobicContact CE2-CE1 3.76Å; Y645-F665 HydrophobicContact CE2-CZ 4.23Å; Y645-F665 AromaticContact CZ-CE1 3.84Å; Y645-F665 AromaticContact CZ-CZ 3.86Å; Y645-F665 WeakPolarHBondContact OH-CZ 3.35Å; K659-F665 CarbonylContact C-O 3.52Å; K659-F665 WeakPolarHBondContact CA-O 3.5Å; C660-F665 PolarHBondContact N-O 2.89Å; D663-F665 HydrophobicContact CB-CD2 3.95Å; D663-F665 HydrophobicContact CB-CE2 4.48Å; D663-F665 WeakPolarHBondContact O-CD2 3.47Å; D663-F665 PolarHBondContact O-N 2.94Å; D663-F665 VanDerWaalsContact O-N 3.14Å; D663-F665 VanDerWaalsContact OD1-CB 3.31Å; D663-F665 WeakPolarHBondContact OD1-CB 3.46Å; D663-F665 WeakPolarHBondContact OD1-CD2 3.37Å; D663-F665 PolarHBondContact OD1-N 3.41Å; F665-L667 PolarHBondContact O-N 3.11Å; F665-Y684 HydrophobicContact CD2-CG 4.22Å; F665-Y684 AromaticContact CE2-CD2 3.93Å; F665-Y684 HydrophobicContact CE2-CD2 3.93Å; F665-Y684 AromaticContact CE2-CG 3.83Å; F665-Y684 HydrophobicContact CE2-CG 3.83Å; F665-Y684 AromaticContact CZ-CD2 3.92Å; F665-Y684 HydrophobicContact CZ-CD2 3.92Å; F665-Y684 HydrophobicContact CZ-CG 4.19Å
666D97Very high90.1Very high11 Ų1156.9 Ų56.96%0.05929%0.292CS..EExtended strand (participates in β ladder)trans-61.2131.6170.2-73.8-5000109.9R618 F658 P683R618-D666 VanDerWaalsContact CB-OD2 3.3Å; R618-D666 WeakPolarHBondContact CB-OD2 3.42Å; R618-D666 WeakPolarHBondContact CG-OD2 3.41Å; R618-D666 PolarHBondContact N-OD2 3.08Å; R618-D666 PolarHBondContact O-N 2.74Å; F658-D666 CarbonylContact O-C 3.27Å; F658-D666 WeakPolarHBondContact O-CA 3.13Å; D666-P683 VanDerWaalsContact O-CD 3.29Å; D666-P683 WeakPolarHBondContact O-CD 3.36Å
667L96.4Very high90.2Very high2 Ų252.7 Ų52.71%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-74.1143.4175.5-62.3-174.5000110.5Y655 F658 C660 F665 C682 H710Y655-L667 WeakPolarHBondContact CB-O 3.45Å; Y655-L667 HydrophobicContact CD1-CB 4.31Å; Y655-L667 PolarHBondContact N-O 2.78Å; F658-L667 HydrophobicContact CB-CB 4.39Å; F658-L667 HydrophobicContact CB-CD1 3.95Å; F658-L667 HydrophobicContact CB-CG 4.34Å; F658-L667 WeakPolarHBondContact O-CB 3.48Å; F658-L667 PolarHBondContact O-N 3.24Å; C660-L667 HydrophobicContact CB-CD2 3.93Å; F665-L667 PolarHBondContact O-N 3.11Å; L667-C682 HydrophobicContact CD2-CB 3.65Å; L667-H710 VanDerWaalsContact CD1-CD2 3.48Å; L667-H710 WeakPolarHBondContact CD1-CD2 3.48Å
668L95.8Very high90.5Very high0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-113155.1173.4-59.2178.6000110.1L636 L647 V652 K653 V654 P680 F681 P683L636-L668 HydrophobicContact CD1-CD1 3.53Å; L647-L668 HydrophobicContact CD2-CD1 3.92Å; V652-L668 HydrophobicContact CG1-CB 4.03Å; V652-L668 HydrophobicContact CG1-CD1 3.68Å; V652-L668 HydrophobicContact CG1-CG 4.32Å; K653-L668 CarbonylContact O-C 3.51Å; K653-L668 VanDerWaalsContact O-CA 3.29Å; K653-L668 WeakPolarHBondContact O-CA 3.45Å; V654-L668 HydrophobicContact CG2-CD2 4.28Å; L668-P680 CarbonylContact O-C 3.43Å; L668-P680 WeakPolarHBondContact O-CA 3.42Å; L668-F681 HydrophobicContact CB-CD1 4.07Å; L668-F681 HydrophobicContact CB-CE1 3.52Å; L668-F681 HydrophobicContact CB-CE2 4.22Å; L668-F681 HydrophobicContact CB-CZ 3.62Å; L668-F681 HydrophobicContact CD1-CE1 4.44Å; L668-F681 HydrophobicContact CD1-CE2 4Å; L668-F681 HydrophobicContact CD1-CZ 3.69Å; L668-F681 HydrophobicContact CG-CZ 4.28Å; L668-F681 PolarHBondContact N-O 3.29Å; L668-F681 WeakPolarHBondContact O-CD1 3.29Å; L668-F681 PolarHBondContact O-N 3.43Å; L668-P683 HydrophobicContact CD1-CG 3.61Å; L668-P683 HydrophobicContact CG-CG 3.93Å
669A94.2Very high90.5Very high4 Ų442.9 Ų42.93%0.03323%0.232CC..EExtended strand (participates in β ladder)trans-110125.1172.400000109.5V652 K653 Y655 T733V652-A669 WeakPolarHBondContact CA-O 3.5Å; K653-A669 HydrophobicContact CG-CB 4.06Å; K653-A669 PolarHBondContact N-O 3.19Å; K653-A669 VanDerWaalsContact N-O 3.11Å; K653-A669 PolarHBondContact O-N 3.14Å; Y655-A669 HydrophobicContact CD2-CB 3.96Å; Y655-A669 HydrophobicContact CG-CB 4.14Å; A669-T733 HydrophobicContact CB-CG2 4Å
670F93.2Very high90.5Very high11 Ų1138.8 Ų38.85%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-97.1142.9174163.3-107.1000111P648 I649 N651 T672 S678 Y679 F681P648-F670 HydrophobicContact CB-CB 4.46Å; P648-F670 HydrophobicContact CB-CD1 4.46Å; P648-F670 HydrophobicContact CB-CD2 3.52Å; P648-F670 HydrophobicContact CB-CE2 3.71Å; P648-F670 HydrophobicContact CB-CG 3.89Å; P648-F670 HydrophobicContact CB-CZ 4.25Å; P648-F670 HydrophobicContact CG-CB 3.7Å; P648-F670 HydrophobicContact CG-CD2 3.43Å; P648-F670 VanDerWaalsContact CG-CD2 3.43Å; P648-F670 HydrophobicContact CG-CE2 4.16Å; P648-F670 HydrophobicContact CG-CG 3.64Å; I649-F670 WeakPolarHBondContact O-CE2 3.47Å; N651-F670 CarbonylContact O-C 3.59Å; N651-F670 WeakPolarHBondContact O-CA 3.42Å; F670-T672 HydrophobicContact CE1-CG2 4.12Å; F670-T672 HydrophobicContact CE2-CG2 4.06Å; F670-T672 HydrophobicContact CZ-CG2 3.39Å; F670-S678 WeakPolarHBondContact O-CA 3.4Å; F670-S678 WeakPolarHBondContact O-CB 3.49Å; F670-Y679 HydrophobicContact CB-CD2 4.44Å; F670-Y679 HydrophobicContact CB-CE2 4.21Å; F670-Y679 AromaticContact CD1-CD1 3.84Å; F670-Y679 HydrophobicContact CD1-CD1 3.84Å; F670-Y679 HydrophobicContact CD1-CD2 4.42Å; F670-Y679 AromaticContact CD1-CE1 3.34Å; F670-Y679 HydrophobicContact CD1-CE1 3.34Å; F670-Y679 AromaticContact CD1-CE2 3.99Å; F670-Y679 HydrophobicContact CD1-CE2 3.99Å; F670-Y679 HydrophobicContact CD1-CG 4.36Å; F670-Y679 AromaticContact CD1-CZ 3.42Å; F670-Y679 VanDerWaalsContact CD1-CZ 3.42Å; F670-Y679 HydrophobicContact CE1-CD1 4.37Å; F670-Y679 AromaticContact CE1-CE1 3.62Å; F670-Y679 HydrophobicContact CE1-CE1 3.62Å; F670-Y679 AromaticContact CE1-CZ 3.91Å; F670-Y679 HydrophobicContact CG-CE1 4.45Å; F670-Y679 HydrophobicContact CG-CE2 4.41Å; F670-Y679 PolarHBondContact N-O 2.83Å; F670-Y679 PolarHBondContact O-N 2.97Å; F670-F681 HydrophobicContact CB-CD1 3.99Å; F670-F681 HydrophobicContact CB-CE1 3.82Å
671S90.4Very high90.4Very high19 Ų1938.5 Ų38.513%0.13321%0.212CC..EExtended strand (participates in β ladder)trans-151.9138.4170.1-178.60000113.2N651 G673 R677N651-S671 WeakPolarHBondContact CB-O 3.5Å; N651-S671 PolarHBondContact N-O 3.34Å; N651-S671 PolarHBondContact O-N 2.85Å; S671-G673 VanDerWaalsContact C-N 3.3Å; S671-G673 PolarHBondContact OG-N 3.5Å; S671-G673 PolarHBondContact OG-O 2.78Å; S671-R677 WeakPolarHBondContact CA-O 3.11Å
672T87.3Confident90.5Very high81 Ų8135.4 Ų35.450%0.49719%0.192SC..SBendtrans-89.410.3167.261.30000113.8F670 G676 R677F670-T672 HydrophobicContact CE1-CG2 4.12Å; F670-T672 HydrophobicContact CE2-CG2 4.06Å; F670-T672 HydrophobicContact CZ-CG2 3.39Å; T672-G676 WeakPolarHBondContact OG1-CA 3.44Å; T672-R677 PolarHBondContact N-O 2.94Å; T672-R677 PolarHBondContact OG1-N 2.83Å
673G80.4Confident90.5Very high26 Ų2631.5 Ų31.527%0.26817%0.172SC..  trans122.9176-177.500000112.4S671 K675 G676S671-G673 VanDerWaalsContact C-N 3.3Å; S671-G673 PolarHBondContact OG-N 3.5Å; S671-G673 PolarHBondContact OG-O 2.78Å; G673-K675 VanDerWaalsContact C-N 3.34Å; G673-K675 PolarHBondContact O-N 3.35Å; G673-G676 PolarHBondContact O-N 3.04Å
674V72.6Confident90.6Very high117 Ų11733.2 Ų33.271%0.70918%0.177SC*.THydrogen-bonded Turntrans-58.9-42.5-172.5-177.70000112.4
675K74.1Confident90.6Very high193 Ų19331.2 Ų31.284%0.83917%0.167SC*.THydrogen-bonded Turntrans-90.5-0.6176.6-61.6-173.4179-176.50113.6G673G673-K675 VanDerWaalsContact C-N 3.34Å; G673-K675 PolarHBondContact O-N 3.35Å
676G80.9Confident90.5Very high14 Ų1431.8 Ų31.814%0.14417%0.169CC..SBendtrans-90.5-179.7-175.300000113.1T672 G673 K739 I748T672-G676 WeakPolarHBondContact OG1-CA 3.44Å; G673-G676 PolarHBondContact O-N 3.04Å; G676-K739 PolarHBondContact O-NZ 3.18Å; G676-I748 VanDerWaalsContact C-CD1 3.45Å; G676-I748 WeakPolarHBondContact O-CD1 3.26Å
677R86.6Confident90.3Very high65 Ų6532.4 Ų32.425%0.24517%0.172CC..  trans-70.7140174.6-170.5172.2-177-177.9-1.9109.5S671 T672 Y679 C742 N743S671-R677 WeakPolarHBondContact CA-O 3.11Å; T672-R677 PolarHBondContact N-O 2.94Å; T672-R677 PolarHBondContact OG1-N 2.83Å; R677-Y679 HydrophobicContact CG-CD1 4.14Å; R677-Y679 HydrophobicContact CG-CE1 4.22Å; R677-C742 PolarHBondContact NH2-O 2.9Å; R677-N743 VanDerWaalsContact NH2-C 3.26Å; R677-N743 PolarHBondContact NH2-O 3.05Å
678S90.8Very high90.2Very high8 Ų836.5 Ų36.56%0.05619%0.191CC..EExtended strand (participates in β ladder)trans-145154.2168.537.80000111F670 D731 L734 K739F670-S678 WeakPolarHBondContact O-CA 3.4Å; F670-S678 WeakPolarHBondContact O-CB 3.49Å; S678-D731 VanDerWaalsContact CB-OD2 3.29Å; S678-D731 WeakPolarHBondContact CB-OD2 3.31Å; S678-D731 PolarHBondContact OG-OD2 2.91Å; S678-L734 WeakPolarHBondContact OG-CD1 3.08Å; S678-K739 WeakPolarHBondContact OG-CE 3.3Å; S678-K739 PolarHBondContact OG-NZ 3.38Å
679Y92.3Very high90Very high20 Ų2038.3 Ų38.38%0.07820%0.203CC..EExtended strand (participates in β ladder)trans-167.8154.2176.449.6-97.8000109.9F670 R677 F681F670-Y679 HydrophobicContact CB-CD2 4.44Å; F670-Y679 HydrophobicContact CB-CE2 4.21Å; F670-Y679 AromaticContact CD1-CD1 3.84Å; F670-Y679 HydrophobicContact CD1-CD1 3.84Å; F670-Y679 HydrophobicContact CD1-CD2 4.42Å; F670-Y679 AromaticContact CD1-CE1 3.34Å; F670-Y679 HydrophobicContact CD1-CE1 3.34Å; F670-Y679 AromaticContact CD1-CE2 3.99Å; F670-Y679 HydrophobicContact CD1-CE2 3.99Å; F670-Y679 HydrophobicContact CD1-CG 4.36Å; F670-Y679 AromaticContact CD1-CZ 3.42Å; F670-Y679 VanDerWaalsContact CD1-CZ 3.42Å; F670-Y679 HydrophobicContact CE1-CD1 4.37Å; F670-Y679 AromaticContact CE1-CE1 3.62Å; F670-Y679 HydrophobicContact CE1-CE1 3.62Å; F670-Y679 AromaticContact CE1-CZ 3.91Å; F670-Y679 HydrophobicContact CG-CE1 4.45Å; F670-Y679 HydrophobicContact CG-CE2 4.41Å; F670-Y679 PolarHBondContact N-O 2.83Å; F670-Y679 PolarHBondContact O-N 2.97Å; R677-Y679 HydrophobicContact CG-CD1 4.14Å; R677-Y679 HydrophobicContact CG-CE1 4.22Å; Y679-F681 HydrophobicContact CD2-CB 4.32Å; Y679-F681 HydrophobicContact CE2-CB 4.31Å; Y679-F681 HydrophobicContact CE2-CD1 4.47Å
680P95.1Very high89.7Confident6 Ų641 Ų414%0.03922%0.22CC..EExtended strand (participates in β ladder)trans-77.4151.7167.232.8-30.1000110.2Y655 L668 C700 H710 T733Y655-P680 HydrophobicContact CD1-CB 3.69Å; Y655-P680 HydrophobicContact CE1-CB 3.79Å; Y655-P680 HydrophobicContact CE1-CG 4.32Å; Y655-P680 HydrophobicContact CG-CB 4.43Å; L668-P680 CarbonylContact O-C 3.43Å; L668-P680 WeakPolarHBondContact O-CA 3.42Å; P680-C700 HydrophobicContact CG-CB 4.23Å; P680-C700 VanDerWaalsContact O-CB 3.3Å; P680-C700 WeakPolarHBondContact O-CB 3.24Å; P680-C700 PolarHBondContact O-N 3.36Å; P680-H710 HydrophobicContact CG-CB 3.67Å; P680-T733 HydrophobicContact CB-CG2 4.1Å; P680-T733 HydrophobicContact CG-CG2 4.2Å
681F95.6Very high89.6Confident0 Ų043.3 Ų43.30%023%0.23CC..EExtended strand (participates in β ladder)trans-148.8147.5174.870.8-78.4000111.3L647 P648 V652 L668 F670 Y679 Y686 C700L647-F681 HydrophobicContact CD2-CE2 3.88Å; L647-F681 HydrophobicContact CD2-CZ 3.87Å; P648-F681 VanDerWaalsContact CD-CZ 3.41Å; P648-F681 HydrophobicContact CG-CD1 4.34Å; P648-F681 HydrophobicContact CG-CE1 3.76Å; P648-F681 HydrophobicContact CG-CE2 4.38Å; P648-F681 HydrophobicContact CG-CZ 3.78Å; V652-F681 HydrophobicContact CG1-CE1 4.24Å; V652-F681 HydrophobicContact CG1-CZ 3.97Å; V652-F681 HydrophobicContact CG2-CZ 4.37Å; L668-F681 HydrophobicContact CB-CD1 4.07Å; L668-F681 HydrophobicContact CB-CE1 3.52Å; L668-F681 HydrophobicContact CB-CE2 4.22Å; L668-F681 HydrophobicContact CB-CZ 3.62Å; L668-F681 HydrophobicContact CD1-CE1 4.44Å; L668-F681 HydrophobicContact CD1-CE2 4Å; L668-F681 HydrophobicContact CD1-CZ 3.69Å; L668-F681 HydrophobicContact CG-CZ 4.28Å; L668-F681 PolarHBondContact N-O 3.29Å; L668-F681 WeakPolarHBondContact O-CD1 3.29Å; L668-F681 PolarHBondContact O-N 3.43Å; F670-F681 HydrophobicContact CB-CD1 3.99Å; F670-F681 HydrophobicContact CB-CE1 3.82Å; Y679-F681 HydrophobicContact CD2-CB 4.32Å; Y679-F681 HydrophobicContact CE2-CB 4.31Å; Y679-F681 HydrophobicContact CE2-CD1 4.47Å; F681-Y686 HydrophobicContact CB-CD2 4.43Å; F681-Y686 HydrophobicContact CD2-CD2 4.01Å; F681-Y686 AromaticContact CD2-CG 3.99Å; F681-Y686 HydrophobicContact CD2-CG 3.99Å; F681-Y686 HydrophobicContact CE2-CG 4.47Å; F681-Y686 HydrophobicContact CG-CD2 4.42Å; F681-C700 VanDerWaalsContact CA-SG 3.58Å
682C96.3Very high89.3Confident3 Ų348.8 Ų48.82%0.0227%0.269CS..  trans-85.8127.1165.6167.80000108.5C660 D663 L667 Y684 C685 Y686C660-C682 HydrophobicContact CB-CB 3.86Å; D663-C682 PolarHBondContact OD1-SG 3.06Å; D663-C682 VanDerWaalsContact OD1-SG 3.34Å; D663-C682 PolarHBondContact OD2-SG 3.35Å; L667-C682 HydrophobicContact CD2-CB 3.65Å; C682-Y684 VanDerWaalsContact C-N 3.25Å; C682-Y684 PolarHBondContact O-N 2.55Å; C682-Y684 PolarHBondContact SG-N 3.25Å; C682-Y684 VanDerWaalsContact SG-N 3.36Å; C682-C685 HydrophobicContact CB-CB 3.97Å; C682-C685 PolarHBondContact O-N 3Å; C682-C685 PolarHBondContact SG-N 2.94Å; C682-Y686 WeakPolarHBondContact O-CB 3.27Å; C682-Y686 PolarHBondContact O-N 3.02Å
683P95.7Very high89.1Confident0 Ų049 Ų490%027%0.266CS..Hα-helixtrans-56.4-38.1177.5-26.435.6000113.3M626 L636 D666 L668 N687M626-P683 HydrophobicContact CE-CG 4.46Å; L636-P683 HydrophobicContact CD1-CB 4.24Å; L636-P683 HydrophobicContact CD1-CG 3.98Å; D666-P683 VanDerWaalsContact O-CD 3.29Å; D666-P683 WeakPolarHBondContact O-CD 3.36Å; L668-P683 HydrophobicContact CD1-CG 3.61Å; L668-P683 HydrophobicContact CG-CG 3.93Å; P683-N687 PolarHBondContact O-N 3.39Å; P683-N687 PolarHBondContact O-ND2 2.88Å
684Y95.8Very high89.4Confident65 Ų6548.3 Ų48.326%0.25526%0.256SS..Hα-helixtrans-70.5-55.3-179.9-171.2-101.2000111.6Y645 D663 F665 C682 Y686 N687 H688Y645-Y684 AromaticContact CE1-CD2 3.67Å; Y645-Y684 HydrophobicContact CE1-CD2 3.67Å; Y645-Y684 HydrophobicContact CE1-CE2 4.3Å; D663-Y684 HydrophobicContact CB-CD1 4.08Å; F665-Y684 HydrophobicContact CD2-CG 4.22Å; F665-Y684 AromaticContact CE2-CD2 3.93Å; F665-Y684 HydrophobicContact CE2-CD2 3.93Å; F665-Y684 AromaticContact CE2-CG 3.83Å; F665-Y684 HydrophobicContact CE2-CG 3.83Å; F665-Y684 AromaticContact CZ-CD2 3.92Å; F665-Y684 HydrophobicContact CZ-CD2 3.92Å; F665-Y684 HydrophobicContact CZ-CG 4.19Å; C682-Y684 VanDerWaalsContact C-N 3.25Å; C682-Y684 PolarHBondContact O-N 2.55Å; C682-Y684 PolarHBondContact SG-N 3.25Å; C682-Y684 VanDerWaalsContact SG-N 3.36Å; Y684-Y686 PolarHBondContact O-N 3.06Å; Y684-N687 PolarHBondContact O-N 3.42Å; Y684-N687 VanDerWaalsContact O-N 3.11Å; Y684-H688 AromaticContact CD2-ND1 3.53Å; Y684-H688 HydrophobicContact CE1-CB 4.19Å; Y684-H688 AromaticContact CE2-CE1 3.79Å; Y684-H688 AromaticContact CE2-ND1 3.33Å; Y684-H688 VanDerWaalsContact CE2-ND1 3.33Å; Y684-H688 WeakPolarHBondContact CE2-ND1 3.46Å; Y684-H688 AromaticContact CZ-ND1 3.77Å; Y684-H688 WeakPolarHBondContact O-CB 3.5Å; Y684-H688 PolarHBondContact O-N 2.83Å; Y684-H688 PolarHBondContact O-ND1 2.83Å
685C95.4Very high89.9Confident9 Ų944.8 Ų44.86%0.06124%0.236CC..Hα-helixtrans-60.4-29.9177.3-68.60000113.6D663 C682 N687 H688 P689 P690 M694D663-C685 PolarHBondContact OD2-SG 2.88Å; C682-C685 HydrophobicContact CB-CB 3.97Å; C682-C685 PolarHBondContact O-N 3Å; C682-C685 PolarHBondContact SG-N 2.94Å; C685-N687 VanDerWaalsContact C-N 3.33Å; C685-H688 WeakPolarHBondContact CA-O 3.41Å; C685-H688 CarbonylContact O-C 3.52Å; C685-H688 VanDerWaalsContact O-C 3.29Å; C685-P689 WeakPolarHBondContact O-CA 3.19Å; C685-P690 HydrophobicContact CB-CG 4.42Å; C685-M694 HydrophobicContact CB-CE 4.46Å
686Y95.1Very high90.3Very high14 Ų1441.6 Ų41.66%0.05522%0.224CC..Hα-helixtrans-63.1-40.7176.1-175.6-98.9000111.8A646 P648 F681 C682 Y684 L697 G698A646-Y686 WeakPolarHBondContact O-CD1 3.5Å; P648-Y686 WeakPolarHBondContact CA-OH 3.4Å; P648-Y686 HydrophobicContact CB-CE2 4.37Å; P648-Y686 WeakPolarHBondContact CB-OH 3.28Å; F681-Y686 HydrophobicContact CB-CD2 4.43Å; F681-Y686 HydrophobicContact CD2-CD2 4.01Å; F681-Y686 AromaticContact CD2-CG 3.99Å; F681-Y686 HydrophobicContact CD2-CG 3.99Å; F681-Y686 HydrophobicContact CE2-CG 4.47Å; F681-Y686 HydrophobicContact CG-CD2 4.42Å; C682-Y686 WeakPolarHBondContact O-CB 3.27Å; C682-Y686 PolarHBondContact O-N 3.02Å; Y684-Y686 PolarHBondContact O-N 3.06Å; Y686-L697 HydrophobicContact CD1-CB 4.42Å; Y686-L697 HydrophobicContact CD1-CD2 3.71Å; Y686-L697 VanDerWaalsContact CD2-C 3.48Å; Y686-L697 HydrophobicContact CE1-CB 3.81Å; Y686-L697 HydrophobicContact CE1-CD2 3.42Å; Y686-L697 VanDerWaalsContact CE1-CD2 3.42Å; Y686-L697 HydrophobicContact CE1-CG 4.08Å; Y686-L697 HydrophobicContact CE2-CB 3.93Å; Y686-L697 WeakPolarHBondContact CE2-O 3.28Å; Y686-L697 VanDerWaalsContact CZ-CB 3.5Å; Y686-L697 WeakPolarHBondContact O-CA 3.27Å; Y686-L697 PolarHBondContact O-N 3.14Å; Y686-G698 WeakPolarHBondContact CD2-O 3.49Å
687N92.9Very high90.6Very high23 Ų2344.4 Ų44.412%0.12324%0.235CC..Hα-helixtrans-87.8-26.9178.5-71.3-90.4000112.4Y645 A646 P683 Y684 C685 H696Y645-N687 HydrophobicContact CD1-CB 4.38Å; A646-N687 VanDerWaalsContact CB-OD1 3.23Å; A646-N687 WeakPolarHBondContact CB-OD1 3.45Å; A646-N687 PolarHBondContact N-ND2 3.04Å; A646-N687 PolarHBondContact N-OD1 3.04Å; A646-N687 PolarHBondContact O-ND2 2.57Å; P683-N687 PolarHBondContact O-N 3.39Å; P683-N687 PolarHBondContact O-ND2 2.88Å; Y684-N687 PolarHBondContact O-N 3.42Å; Y684-N687 VanDerWaalsContact O-N 3.11Å; C685-N687 VanDerWaalsContact C-N 3.33Å; N687-H696 PolarHBondContact O-NE2 3.5Å
688H93Very high90.7Very high88 Ų8841.6 Ų41.641%0.40723%0.227SC..SBendtrans-130.177.7-178-50.2101000109.5Y684 C685 P690Y684-H688 AromaticContact CD2-ND1 3.53Å; Y684-H688 HydrophobicContact CE1-CB 4.19Å; Y684-H688 AromaticContact CE2-CE1 3.79Å; Y684-H688 AromaticContact CE2-ND1 3.33Å; Y684-H688 VanDerWaalsContact CE2-ND1 3.33Å; Y684-H688 WeakPolarHBondContact CE2-ND1 3.46Å; Y684-H688 AromaticContact CZ-ND1 3.77Å; Y684-H688 WeakPolarHBondContact O-CB 3.5Å; Y684-H688 PolarHBondContact O-N 2.83Å; Y684-H688 PolarHBondContact O-ND1 2.83Å; C685-H688 WeakPolarHBondContact CA-O 3.41Å; C685-H688 CarbonylContact O-C 3.52Å; C685-H688 VanDerWaalsContact O-C 3.29Å; H688-P690 VanDerWaalsContact O-CD 3.28Å; H688-P690 WeakPolarHBondContact O-CD 3.28Å; H688-P690 VanDerWaalsContact O-N 3.12Å
689P91.5Very high90.8Very high38 Ų3841.3 Ų41.325%0.24723%0.225CC..  trans-55.3119.1-178.8-24.532.9000111C685 F691 M694 H696C685-P689 WeakPolarHBondContact O-CA 3.19Å; P689-F691 PolarHBondContact O-N 3.12Å; P689-M694 HydrophobicContact CB-CB 4.06Å; P689-M694 HydrophobicContact CB-CG 4.1Å; P689-M694 HydrophobicContact CB-SD 4.45Å; P689-H696 HydrophobicContact CG-CB 4.32Å
690P89.7Confident90.9Very high61 Ų6140.7 Ų40.740%0.39622%0.223SC..SBendtrans-75.4-11.6-17627.6-34000113.5L662 C685 H688 M694L662-P690 HydrophobicContact CD1-CB 4.23Å; L662-P690 HydrophobicContact CD1-CG 3.79Å; C685-P690 HydrophobicContact CB-CG 4.42Å; H688-P690 VanDerWaalsContact O-CD 3.28Å; H688-P690 WeakPolarHBondContact O-CD 3.28Å; H688-P690 VanDerWaalsContact O-N 3.12Å; P690-M694 HydrophobicContact CG-SD 4.46Å
691F90.3Very high90.9Very high59 Ų5941 Ų4126%0.25922%0.224SC..SBendtrans-126.2144.5-176-48-64.9000111.1L662 P689 D693 M694 T704 N705L662-F691 HydrophobicContact CD1-CE2 4.07Å; L662-F691 HydrophobicContact CD1-CZ 3.87Å; P689-F691 PolarHBondContact O-N 3.12Å; F691-D693 WeakPolarHBondContact CB-OD1 3.44Å; F691-D693 PolarHBondContact O-N 3.22Å; F691-M694 HydrophobicContact CB-CB 4.24Å; F691-M694 WeakPolarHBondContact O-CB 3.49Å; F691-M694 PolarHBondContact O-N 3.39Å; F691-M694 VanDerWaalsContact O-N 3.15Å; F691-T704 WeakPolarHBondContact CD2-OG1 3.33Å; F691-N705 HydrophobicContact CE2-CB 3.96Å; F691-N705 HydrophobicContact CZ-CB 3.77Å
692S84.1Confident90.8Very high135 Ų13541.3 Ų41.394%0.94423%0.227SC*.THydrogen-bonded Turntrans-64.8-25.2-176.453.90000114.4
693D83Confident90.7Very high84 Ų8441.5 Ų41.545%0.44923%0.228SC..THydrogen-bonded Turntrans-90.5-11.6179.362.8-32.9000113.3F691 T704F691-D693 WeakPolarHBondContact CB-OD1 3.44Å; F691-D693 PolarHBondContact O-N 3.22Å; D693-T704 VanDerWaalsContact OD2-CG2 3.26Å; D693-T704 WeakPolarHBondContact OD2-CG2 3.2Å
694M86.4Confident90.5Very high12 Ų1243 Ų436%0.05924%0.237CC..SBendtrans-80.4122.1175.8-172.117117500109.8C685 P689 P690 F691 G698 C703C685-M694 HydrophobicContact CB-CE 4.46Å; P689-M694 HydrophobicContact CB-CB 4.06Å; P689-M694 HydrophobicContact CB-CG 4.1Å; P689-M694 HydrophobicContact CB-SD 4.45Å; P690-M694 HydrophobicContact CG-SD 4.46Å; F691-M694 HydrophobicContact CB-CB 4.24Å; F691-M694 WeakPolarHBondContact O-CB 3.49Å; F691-M694 PolarHBondContact O-N 3.39Å; F691-M694 VanDerWaalsContact O-N 3.15Å; M694-G698 WeakPolarHBondContact CE-O 3.29Å; M694-C703 HydrophobicContact SD-CB 4.32Å
695P84.4Confident90.4Very high43 Ų4341 Ų4128%0.27923%0.231SC..PPolyproline II helixtrans-67.1145.5178.129.3-34.2000111L697 G698 T702P695-L697 PolarHBondContact O-N 3.15Å; P695-G698 WeakPolarHBondContact O-CA 3.37Å; P695-G698 PolarHBondContact O-N 3.45Å; P695-T702 HydrophobicContact CG-CG2 4.16Å
696H82.5Confident90.1Very high127 Ų12744.2 Ų44.259%0.58826%0.258SS*.THydrogen-bonded Turntrans-55.4135.4166.5-168.1-93.8000110N687 P689 G698N687-H696 PolarHBondContact O-NE2 3.5Å; P689-H696 HydrophobicContact CG-CB 4.32Å; H696-G698 VanDerWaalsContact C-N 3.29Å
697L86Confident90Very high73 Ų7349.6 Ų49.638%0.38229%0.288SS..THydrogen-bonded Turntrans61.734.1-171.4-49.1-178.5000113.4A646 Y686 P695A646-L697 HydrophobicContact CB-CD2 4.47Å; Y686-L697 HydrophobicContact CD1-CB 4.42Å; Y686-L697 HydrophobicContact CD1-CD2 3.71Å; Y686-L697 VanDerWaalsContact CD2-C 3.48Å; Y686-L697 HydrophobicContact CE1-CB 3.81Å; Y686-L697 HydrophobicContact CE1-CD2 3.42Å; Y686-L697 VanDerWaalsContact CE1-CD2 3.42Å; Y686-L697 HydrophobicContact CE1-CG 4.08Å; Y686-L697 HydrophobicContact CE2-CB 3.93Å; Y686-L697 WeakPolarHBondContact CE2-O 3.28Å; Y686-L697 VanDerWaalsContact CZ-CB 3.5Å; Y686-L697 WeakPolarHBondContact O-CA 3.27Å; Y686-L697 PolarHBondContact O-N 3.14Å; P695-L697 PolarHBondContact O-N 3.15Å
698G88.6Confident90Very high6 Ų648.7 Ų48.76%0.06228%0.283CS..  trans-90.2140.1174.400000113.2Y686 M694 P695 H696 T702Y686-G698 WeakPolarHBondContact CD2-O 3.49Å; M694-G698 WeakPolarHBondContact CE-O 3.29Å; P695-G698 WeakPolarHBondContact O-CA 3.37Å; P695-G698 PolarHBondContact O-N 3.45Å; H696-G698 VanDerWaalsContact C-N 3.29Å; G698-T702 WeakPolarHBondContact CA-OG1 3.21Å
699G93.3Very high90Very high2 Ų248 Ų482%0.02129%0.286CS..  trans-78.9178173.800000113.5N701 T702G699-N701 WeakPolarHBondContact CA-OD1 3.37Å; G699-N701 PolarHBondContact O-N 2.9Å; G699-N701 VanDerWaalsContact O-N 3.14Å; G699-T702 PolarHBondContact O-N 3.43Å; G699-T702 PolarHBondContact O-OG1 3.02Å
700C95Very high90.1Very high6 Ų646.9 Ų46.94%0.04128%0.277CS..G310 helixtrans-60.5-25.2176.3-68.40000112.5P680 F681 T702 C703 H710 S711P680-C700 HydrophobicContact CG-CB 4.23Å; P680-C700 VanDerWaalsContact O-CB 3.3Å; P680-C700 WeakPolarHBondContact O-CB 3.24Å; P680-C700 PolarHBondContact O-N 3.36Å; F681-C700 VanDerWaalsContact CA-SG 3.58Å; C700-T702 PolarHBondContact O-N 3.17Å; C700-C703 VanDerWaalsContact O-CB 3.26Å; C700-C703 WeakPolarHBondContact O-CB 3.47Å; C700-C703 PolarHBondContact O-N 2.98Å; C700-H710 CarbonylContact C-O 3.48Å; C700-H710 HydrophobicContact CB-CB 3.8Å; C700-H710 WeakPolarHBondContact CB-O 3.39Å; C700-S711 WeakPolarHBondContact O-CA 3.4Å
701N93.7Very high90.3Very high12 Ų1244 Ų446%0.06426%0.259CS..G310 helixtrans-64.1-0.1170.564.9-28.6000114.8G699 V729 N743G699-N701 WeakPolarHBondContact CA-OD1 3.37Å; G699-N701 PolarHBondContact O-N 2.9Å; G699-N701 VanDerWaalsContact O-N 3.14Å; N701-V729 HydrophobicContact CB-CB 4.21Å; N701-V729 HydrophobicContact CB-CG1 3.95Å; N701-V729 HydrophobicContact CB-CG2 4.3Å; N701-N743 WeakPolarHBondContact O-CB 2.98Å; N701-N743 PolarHBondContact O-ND2 3.02Å
702T93.8Very high90.4Very high8 Ų842.6 Ų42.65%0.04925%0.254CS..G310 helixtrans-121.9-0.3170.659.60000113.1P695 G698 G699 C700 N743P695-T702 HydrophobicContact CG-CG2 4.16Å; G698-T702 WeakPolarHBondContact CA-OG1 3.21Å; G699-T702 PolarHBondContact O-N 3.43Å; G699-T702 PolarHBondContact O-OG1 3.02Å; C700-T702 PolarHBondContact O-N 3.17Å; T702-N743 HydrophobicContact CG2-CB 3.96Å
703C94.1Very high90.7Very high7 Ų741.1 Ų41.15%0.04724%0.236CC..  trans-76.7138.1176.2174.80000109.9M694 C700 N705 S711 L712M694-C703 HydrophobicContact SD-CB 4.32Å; C700-C703 VanDerWaalsContact O-CB 3.26Å; C700-C703 WeakPolarHBondContact O-CB 3.47Å; C700-C703 PolarHBondContact O-N 2.98Å; C703-N705 PolarHBondContact SG-N 2.97Å; C703-S711 CarbonylContact O-C 3.58Å; C703-S711 WeakPolarHBondContact O-CA 3.33Å; C703-S711 VanDerWaalsContact O-CB 3.27Å; C703-S711 WeakPolarHBondContact O-CB 3.47Å; C703-L712 WeakPolarHBondContact O-CB 3.35Å; C703-L712 PolarHBondContact O-N 2.88Å
704T93.1Very high91.2Very high31 Ų3139.8 Ų39.819%0.1923%0.23CC..  trans-107.87.8179.947.30000113.3F691 D693 A706 N713F691-T704 WeakPolarHBondContact CD2-OG1 3.33Å; D693-T704 VanDerWaalsContact OD2-CG2 3.26Å; D693-T704 WeakPolarHBondContact OD2-CG2 3.2Å; T704-A706 PolarHBondContact O-N 3.1Å; T704-N713 PolarHBondContact O-ND2 3.08Å
705N92.9Very high91.6Very high24 Ų2440 Ų4013%0.12823%0.232CC..  trans-66.2119.9174.7-175.18.3000111.3L662 F691 C703 N707 C708 S711L662-N705 HydrophobicContact CD1-CB 4.34Å; L662-N705 WeakPolarHBondContact CD2-ND2 3.37Å; L662-N705 WeakPolarHBondContact CG-ND2 3.45Å; F691-N705 HydrophobicContact CE2-CB 3.96Å; F691-N705 HydrophobicContact CZ-CB 3.77Å; C703-N705 PolarHBondContact SG-N 2.97Å; N705-N707 PolarHBondContact O-N 2.91Å; N705-N707 PolarHBondContact OD1-N 3.28Å; N705-N707 VanDerWaalsContact OD1-N 3.09Å; N705-C708 HydrophobicContact CB-CB 4.04Å; N705-C708 PolarHBondContact O-N 3.36Å; N705-C708 VanDerWaalsContact O-N 3.09Å; N705-S711 VanDerWaalsContact O-CB 3.25Å; N705-S711 WeakPolarHBondContact O-CB 3.26Å; N705-S711 PolarHBondContact O-OG 3.27Å
706A89.4Confident92.1Very high75 Ų7538.6 Ų38.662%0.6222%0.224SC*.THydrogen-bonded Turntrans-60.1-29177.300000113.5T704 C708T704-A706 PolarHBondContact O-N 3.1Å; A706-C708 VanDerWaalsContact C-N 3.32Å
707N92.4Very high92.6Very high128 Ų12832.8 Ų32.868%0.68420%0.198SC*.THydrogen-bonded Turntrans-83.4-7.1179.7-66.6-18.7000113.5N705 P709N705-N707 PolarHBondContact O-N 2.91Å; N705-N707 PolarHBondContact OD1-N 3.28Å; N705-N707 VanDerWaalsContact OD1-N 3.09Å; N707-P709 WeakPolarHBondContact O-CD 3.37Å
708C93.4Very high92.9Very high3 Ų330.4 Ų30.42%0.0219%0.187CC..  trans-86.7114.3177.6174.20000109.7P661 N705 A706 H710 S711 T714P661-C708 HydrophobicContact CG-CB 4.03Å; N705-C708 HydrophobicContact CB-CB 4.04Å; N705-C708 PolarHBondContact O-N 3.36Å; N705-C708 VanDerWaalsContact O-N 3.09Å; A706-C708 VanDerWaalsContact C-N 3.32Å; C708-H710 PolarHBondContact O-N 3.37Å; C708-S711 WeakPolarHBondContact O-CB 3.24Å; C708-S711 PolarHBondContact O-N 2.92Å; C708-S711 PolarHBondContact O-OG 3.04Å; C708-T714 PolarHBondContact O-OG1 3.46Å; C708-T714 VanDerWaalsContact O-OG1 3.1Å
709P91.9Very high93.1Very high73 Ų7334.6 Ų34.647%0.47422%0.216SC..THydrogen-bonded Turntrans-67.8-7.9-177.228.7-35.7000113.4N707N707-P709 WeakPolarHBondContact O-CD 3.37Å
710H93.5Very high92.9Very high15 Ų1535 Ų357%0.06922%0.218CC..THydrogen-bonded Turntrans-112.911.5177.9-52.8-57.7000113Y655 F658 L667 P680 C700 C708 L715 C732Y655-H710 AromaticContact CE1-CE1 3.59Å; Y655-H710 AromaticContact CE1-NE2 3.57Å; F658-H710 AromaticContact CD2-NE2 3.77Å; L667-H710 VanDerWaalsContact CD1-CD2 3.48Å; L667-H710 WeakPolarHBondContact CD1-CD2 3.48Å; P680-H710 HydrophobicContact CG-CB 3.67Å; C700-H710 CarbonylContact C-O 3.48Å; C700-H710 HydrophobicContact CB-CB 3.8Å; C700-H710 WeakPolarHBondContact CB-O 3.39Å; C708-H710 PolarHBondContact O-N 3.37Å; H710-L715 HydrophobicContact CB-CD1 4.42Å; H710-C732 PolarHBondContact ND1-SG 2.93Å; H710-C732 VanDerWaalsContact ND1-SG 3.44Å
711S93.9Very high92.4Very high0 Ų040.4 Ų40.40%025%0.251CS..SBendtrans-68.6161-179.278.70000111.8C700 C703 N705 C708 N713 T714 L715C700-S711 WeakPolarHBondContact O-CA 3.4Å; C703-S711 CarbonylContact O-C 3.58Å; C703-S711 WeakPolarHBondContact O-CA 3.33Å; C703-S711 VanDerWaalsContact O-CB 3.27Å; C703-S711 WeakPolarHBondContact O-CB 3.47Å; N705-S711 VanDerWaalsContact O-CB 3.25Å; N705-S711 WeakPolarHBondContact O-CB 3.26Å; N705-S711 PolarHBondContact O-OG 3.27Å; C708-S711 WeakPolarHBondContact O-CB 3.24Å; C708-S711 PolarHBondContact O-N 2.92Å; C708-S711 PolarHBondContact O-OG 3.04Å; S711-N713 PolarHBondContact O-N 3.21Å; S711-N713 PolarHBondContact OG-N 3.13Å; S711-T714 PolarHBondContact O-N 3.46Å; S711-T714 WeakPolarHBondContact OG-CB 3.35Å; S711-T714 PolarHBondContact OG-N 3.26Å; S711-T714 PolarHBondContact OG-OG1 3.12Å; S711-L715 PolarHBondContact O-N 3.49Å
712L92.6Very high91.9Very high31 Ų3145.7 Ų45.716%0.16228%0.275CS..Hα-helixtrans-58.1-37168.2177.760.8000112C703 T714 G716 V727 V729C703-L712 WeakPolarHBondContact O-CB 3.35Å; C703-L712 PolarHBondContact O-N 2.88Å; L712-T714 VanDerWaalsContact C-N 3.31Å; L712-T714 PolarHBondContact O-N 3.46Å; L712-G716 VanDerWaalsContact O-CA 3.23Å; L712-G716 WeakPolarHBondContact O-CA 3.25Å; L712-G716 PolarHBondContact O-N 2.93Å; L712-V727 HydrophobicContact CD1-CB 3.75Å; L712-V727 HydrophobicContact CD1-CG1 3.65Å; L712-V727 HydrophobicContact CD1-CG2 4.29Å; L712-V729 HydrophobicContact CD1-CG2 3.48Å; L712-V729 VanDerWaalsContact CD1-CG2 3.48Å
713N90.7Very high91.7Very high104 Ų10446.3 Ų46.356%0.55628%0.279SS*.Hα-helixtrans-70.3-30.2-179.3-72.9-12000112.2T704 S711T704-N713 PolarHBondContact O-ND2 3.08Å; S711-N713 PolarHBondContact O-N 3.21Å; S711-N713 PolarHBondContact OG-N 3.13Å
714T93Very high91.3Very high55 Ų5552.4 Ų52.434%0.33732%0.319SS..Hα-helixtrans-86.6-38179.3-50.20000112.7C708 S711 L712C708-T714 PolarHBondContact O-OG1 3.46Å; C708-T714 VanDerWaalsContact O-OG1 3.1Å; S711-T714 PolarHBondContact O-N 3.46Å; S711-T714 WeakPolarHBondContact OG-CB 3.35Å; S711-T714 PolarHBondContact OG-N 3.26Å; S711-T714 PolarHBondContact OG-OG1 3.12Å; L712-T714 VanDerWaalsContact C-N 3.31Å; L712-T714 PolarHBondContact O-N 3.46Å
715L95.1Very high91.1Very high18 Ų1855.9 Ų55.99%0.09434%0.34CS..Hα-helixtrans-112.5-0.1-171.5-63.4-177.3000114.4H710 S711 V729 L730 V760H710-L715 HydrophobicContact CB-CD1 4.42Å; S711-L715 PolarHBondContact O-N 3.49Å; L715-V729 HydrophobicContact CB-CG1 3.66Å; L715-V729 WeakPolarHBondContact O-CA 2.87Å; L715-L730 HydrophobicContact CB-CB 4.35Å; L715-L730 HydrophobicContact CD2-CD2 4.48Å; L715-L730 PolarHBondContact O-N 2.97Å; L715-V760 HydrophobicContact CD2-CG2 4.34Å
716G94.7Very high91Very high12 Ų1254.9 Ų54.912%0.12434%0.335CS..EExtended strand (participates in β ladder)trans-72.1130.6177.200000111.8L712 Q771L712-G716 VanDerWaalsContact O-CA 3.23Å; L712-G716 WeakPolarHBondContact O-CA 3.25Å; L712-G716 PolarHBondContact O-N 2.93Å; G716-Q771 VanDerWaalsContact O-CG 3.32Å; G716-Q771 WeakPolarHBondContact O-CG 3.31Å
717I94.4Very high91.2Very high5 Ų553.1 Ų53.13%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-106.5-51.5-176.5-64.5-175000111.8L728 L730 L740 V760 A770 Q771 V773 I795 F796I717-L728 PolarHBondContact N-O 3.49Å; I717-L730 HydrophobicContact CD1-CB 4.38Å; I717-L740 HydrophobicContact CD1-CD1 3.81Å; I717-L740 HydrophobicContact CD1-CD2 3.37Å; I717-L740 HydrophobicContact CD1-CG 4.23Å; I717-L740 HydrophobicContact CG1-CD2 4.49Å; I717-V760 HydrophobicContact CD1-CG2 4.4Å; I717-V760 HydrophobicContact CG1-CG2 4.11Å; I717-A770 HydrophobicContact CG2-CB 4.24Å; I717-A770 CarbonylContact O-C 3.58Å; I717-A770 VanDerWaalsContact O-CA 3.28Å; I717-A770 WeakPolarHBondContact O-CA 3.4Å; I717-Q771 PolarHBondContact O-N 3.29Å; I717-V773 HydrophobicContact CD1-CG1 3.81Å; I717-V773 HydrophobicContact CG1-CG1 4.47Å; I717-I795 HydrophobicContact CG2-CG2 3.94Å; I717-F796 HydrophobicContact CG2-CE2 4.26Å
718S92.4Very high91.2Very high24 Ų2447.1 Ų47.117%0.16829%0.285CS..EExtended strand (participates in β ladder)trans-161.4167.7-176.768.70000112.3V727 L728 F796S718-V727 CarbonylContact O-C 3.52Å; S718-V727 WeakPolarHBondContact O-CA 3.48Å; S718-V727 WeakPolarHBondContact O-CG1 3.19Å; S718-L728 PolarHBondContact O-N 3.33Å; S718-F796 VanDerWaalsContact OG-CE2 3.27Å; S718-F796 WeakPolarHBondContact OG-CE2 3.45Å
719S91Very high91.3Very high94 Ų9447.2 Ų47.266%0.65729%0.285SS*.EExtended strand (participates in β ladder)trans-60.7144.2169.8-57.50000111.7
720C89.3Confident91.4Very high11 Ų1144 Ų447%0.07426%0.264CS..  trans-70.9137.2176.4-175.50000110.9C723 G726 C742C720-C723 VanDerWaalsContact O-O 3.14Å; C720-G726 WeakPolarHBondContact CB-O 3.25Å; C720-G726 PolarHBondContact N-O 3.13Å; C720-C742 HydrophobicContact CB-CB 4.44Å
721V84.3Confident91.3Very high119 Ų11943.7 Ų43.772%0.72126%0.263SS*.SBendtrans-77.4-22.2179.7-600000113.8
722E84.7Confident90.9Very high122 Ų12244.5 Ų44.557%0.5727%0.269SS*.SBendtrans-102-8.6-176.6-62.2-65158.200113.2V747E722-V747 HydrophobicContact CB-CG2 3.61Å; E722-V747 HydrophobicContact CG-CG2 3.41Å; E722-V747 VanDerWaalsContact CG-CG2 3.41Å
723C88.4Confident90.5Very high21 Ų2143.4 Ų43.414%0.14226%0.263CS..  trans-147.4141.9176.872.50000112.9C720 T725 G726 C742 C745C720-C723 VanDerWaalsContact O-O 3.14Å; C723-T725 VanDerWaalsContact C-N 3.28Å; C723-T725 PolarHBondContact O-N 3.21Å; C723-G726 VanDerWaalsContact SG-CA 3.54Å; C723-C742 VanDerWaalsContact SG-SG 3.67Å; C723-C745 HydrophobicContact CB-CB 4.21Å
724P86.2Confident90Very high136 Ų13640.6 Ų40.688%0.88325%0.248SC*.THydrogen-bonded Turntrans-71.6-19.3-168.526.7-34.9000114.3
725T88.6Confident89.1Confident104 Ų10439.4 Ų39.464%0.63824%0.244SC*.THydrogen-bonded Turntrans-117.23.5-173.761.50000113.2C723 R744C723-T725 VanDerWaalsContact C-N 3.28Å; C723-T725 PolarHBondContact O-N 3.21Å; T725-R744 WeakPolarHBondContact O-CG 3.43Å
726G90.4Very high88.4Confident2 Ų242.2 Ų42.22%0.02126%0.263CS..  trans-89.3148.7-177.900000112.1C720 C723C720-G726 WeakPolarHBondContact CB-O 3.25Å; C720-G726 PolarHBondContact N-O 3.13Å; C723-G726 VanDerWaalsContact SG-CA 3.54Å
727V93.9Very high87.9Confident39 Ų3944.9 Ų44.924%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-119.9136.8170.4-178.10000108.1L712 S718 V729 C742 N743L712-V727 HydrophobicContact CD1-CB 3.75Å; L712-V727 HydrophobicContact CD1-CG1 3.65Å; L712-V727 HydrophobicContact CD1-CG2 4.29Å; S718-V727 CarbonylContact O-C 3.52Å; S718-V727 WeakPolarHBondContact O-CA 3.48Å; S718-V727 WeakPolarHBondContact O-CG1 3.19Å; V727-V729 HydrophobicContact CG1-CG2 4.47Å; V727-C742 WeakPolarHBondContact O-CA 3.45Å; V727-N743 PolarHBondContact N-OD1 3.28Å; V727-N743 PolarHBondContact O-N 3.31Å; V727-N743 PolarHBondContact O-OD1 2.76Å
728L93.2Very high87.6Confident1 Ų145.5 Ų45.51%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-77.6119.2170.9-65.6177.1000108.9I717 S718 L740 C742 V747 I749 F796I717-L728 PolarHBondContact N-O 3.49Å; S718-L728 PolarHBondContact O-N 3.33Å; L728-L740 HydrophobicContact CB-CB 4.37Å; L728-L740 HydrophobicContact CB-CD1 4.43Å; L728-C742 HydrophobicContact CD2-CB 4.16Å; L728-V747 HydrophobicContact CD2-CG1 3.94Å; L728-I749 HydrophobicContact CD1-CD1 3.76Å; L728-I749 HydrophobicContact CD2-CD1 4.38Å; L728-F796 HydrophobicContact CD1-CZ 3.88Å
729V95.1Very high87.5Confident6 Ų644.5 Ų44.54%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-115.9135-176.8-171.30000109.2N701 L712 L715 V727 D731 L740 G741 N743N701-V729 HydrophobicContact CB-CB 4.21Å; N701-V729 HydrophobicContact CB-CG1 3.95Å; N701-V729 HydrophobicContact CB-CG2 4.3Å; L712-V729 HydrophobicContact CD1-CG2 3.48Å; L712-V729 VanDerWaalsContact CD1-CG2 3.48Å; L715-V729 HydrophobicContact CB-CG1 3.66Å; L715-V729 WeakPolarHBondContact O-CA 2.87Å; V727-V729 HydrophobicContact CG1-CG2 4.47Å; V729-D731 PolarHBondContact O-N 3.44Å; V729-L740 WeakPolarHBondContact O-CA 3.45Å; V729-G741 PolarHBondContact N-O 3.2Å; V729-G741 PolarHBondContact O-N 2.83Å; V729-N743 HydrophobicContact CG2-CB 4.19Å
730L94.2Very high87.5Confident6 Ų640 Ų403%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-65.5124.8175.2-178.164.8000110.8L715 I717 W738 L740 I758 V760L715-L730 HydrophobicContact CB-CB 4.35Å; L715-L730 HydrophobicContact CD2-CD2 4.48Å; L715-L730 PolarHBondContact O-N 2.97Å; I717-L730 HydrophobicContact CD1-CB 4.38Å; L730-W738 HydrophobicContact CD1-CE3 4.12Å; L730-W738 HydrophobicContact CD2-CZ3 4.46Å; L730-W738 HydrophobicContact CG-CE3 4.48Å; L730-L740 HydrophobicContact CB-CD2 4.04Å; L730-L740 HydrophobicContact CD1-CD2 3.68Å; L730-L740 HydrophobicContact CG-CD2 4.49Å; L730-I758 HydrophobicContact CD1-CG2 4.3Å; L730-I758 HydrophobicContact CD2-CB 4.1Å; L730-I758 HydrophobicContact CD2-CG2 3.7Å; L730-V760 HydrophobicContact CB-CG2 4.24Å; L730-V760 HydrophobicContact CD2-CG2 3.99Å
731D90.6Very high87.6Confident8 Ų840.1 Ų40.14%0.04324%0.243CC..EExtended strand (participates in β ladder)trans-94111.4175-178.63000111.1S678 V729 T733 K739S678-D731 VanDerWaalsContact CB-OD2 3.29Å; S678-D731 WeakPolarHBondContact CB-OD2 3.31Å; S678-D731 PolarHBondContact OG-OD2 2.91Å; V729-D731 PolarHBondContact O-N 3.44Å; D731-T733 VanDerWaalsContact OD1-CB 3.31Å; D731-T733 WeakPolarHBondContact OD1-CB 3.33Å; D731-T733 WeakPolarHBondContact OD1-CG2 3.23Å; D731-T733 PolarHBondContact OD1-N 3.35Å; D731-T733 PolarHBondContact OD1-OG1 2.92Å; D731-T733 PolarHBondContact OD2-OG1 3.46Å; D731-K739 HydrophobicContact CB-CG 3.87Å; D731-K739 WeakPolarHBondContact CB-O 3.43Å; D731-K739 PolarHBondContact N-O 3.46Å; D731-K739 WeakPolarHBondContact OD2-CE 3.46Å; D731-K739 IonicContact OD2-NZ 2.89Å
732C85.2Confident87.9Confident17 Ų1734.5 Ų34.512%0.11521%0.209CC..  trans-97.28.6179.555.20000114.1Y655 H710 W738Y655-C732 PolarHBondContact OH-O 3.19Å; Y655-C732 PolarHBondContact OH-SG 2.78Å; H710-C732 PolarHBondContact ND1-SG 2.93Å; H710-C732 VanDerWaalsContact ND1-SG 3.44Å; C732-W738 HydrophobicContact CB-CZ3 4.08Å
733T85.4Confident88.3Confident8 Ų829.2 Ų29.25%0.04919%0.185CC..SBendtrans-80.9-20.6-174.761.90000114.6Y655 A669 P680 D731Y655-T733 HydrophobicContact CD2-CG2 4.47Å; Y655-T733 HydrophobicContact CE2-CG2 4.14Å; A669-T733 HydrophobicContact CB-CG2 4Å; P680-T733 HydrophobicContact CB-CG2 4.1Å; P680-T733 HydrophobicContact CG-CG2 4.2Å; D731-T733 VanDerWaalsContact OD1-CB 3.31Å; D731-T733 WeakPolarHBondContact OD1-CB 3.33Å; D731-T733 WeakPolarHBondContact OD1-CG2 3.23Å; D731-T733 PolarHBondContact OD1-N 3.35Å; D731-T733 PolarHBondContact OD1-OG1 2.92Å; D731-T733 PolarHBondContact OD2-OG1 3.46Å
734L79.7Confident88.3Confident44 Ų4433.9 Ų33.923%0.2320%0.199CC..SBendtrans-119.114.9-172.7-62.5178.3000114.3S678 T737S678-L734 WeakPolarHBondContact OG-CD1 3.08Å; L734-T737 CarbonylContact C-O 3.52Å; L734-T737 WeakPolarHBondContact O-CA 3.37Å; L734-T737 WeakPolarHBondContact O-CB 3.22Å; L734-T737 PolarHBondContact O-N 3.48Å
735A75.1Confident88.3Confident31 Ų3128.8 Ų28.826%0.25617%0.167SC..THydrogen-bonded Turntrans-48131.817700000111.4W738A735-W738 HydrophobicContact CB-CH2 3.96Å; A735-W738 HydrophobicContact CB-CZ2 3.63Å
736P79.3Confident88.2Confident77 Ų7726.6 Ų26.650%0.515%0.151SC..THydrogen-bonded Turncis-89.816.414.737.1-37.9000115.6W738 G754 A755P736-W738 VanDerWaalsContact O-CD1 3.3Å; P736-G754 PolarHBondContact O-N 3.13Å; P736-A755 WeakPolarHBondContact CB-O 3.37Å
737T84.3Confident88Confident68 Ų6827.3 Ų27.342%0.41716%0.155SC..SBendtrans-92.7106.6170.4-52.50000109L734L734-T737 CarbonylContact C-O 3.52Å; L734-T737 WeakPolarHBondContact O-CA 3.37Å; L734-T737 WeakPolarHBondContact O-CB 3.22Å; L734-T737 PolarHBondContact O-N 3.48Å
738W89Confident87.7Confident17 Ų1726.7 Ų26.76%0.06415%0.15CC..EExtended strand (participates in β ladder)trans-103.2143-175.7-57.394.1000111.7L730 C732 A735 P736 C751 A755 I758L730-W738 HydrophobicContact CD1-CE3 4.12Å; L730-W738 HydrophobicContact CD2-CZ3 4.46Å; L730-W738 HydrophobicContact CG-CE3 4.48Å; C732-W738 HydrophobicContact CB-CZ3 4.08Å; A735-W738 HydrophobicContact CB-CH2 3.96Å; A735-W738 HydrophobicContact CB-CZ2 3.63Å; P736-W738 VanDerWaalsContact O-CD1 3.3Å; W738-C751 WeakPolarHBondContact CB-O 3.21Å; W738-C751 PolarHBondContact O-N 3.39Å; W738-C751 VanDerWaalsContact O-N 3.08Å; W738-C751 VanDerWaalsContact O-O 3.12Å; W738-A755 PolarHBondContact NE1-O 2.89Å; W738-I758 HydrophobicContact CB-CD1 3.59Å; W738-I758 HydrophobicContact CD2-CB 4.25Å; W738-I758 HydrophobicContact CD2-CD1 3.45Å; W738-I758 VanDerWaalsContact CD2-CD1 3.45Å; W738-I758 HydrophobicContact CD2-CG1 3.74Å; W738-I758 HydrophobicContact CE3-CB 4.06Å; W738-I758 HydrophobicContact CE3-CD1 3.91Å; W738-I758 HydrophobicContact CE3-CG1 4.08Å; W738-I758 HydrophobicContact CG-CD1 3.31Å; W738-I758 HydrophobicContact CG-CG1 4.06Å; W738-I758 HydrophobicContact CH2-CB 4.24Å; W738-I758 HydrophobicContact CH2-CG1 4.45Å; W738-I758 HydrophobicContact CZ2-CB 4.43Å; W738-I758 HydrophobicContact CZ2-CG1 4.16Å; W738-I758 HydrophobicContact CZ3-CB 4.04Å; W738-I758 HydrophobicContact CZ3-CG1 4.41Å
739K90.4Very high87.5Confident4 Ų427.4 Ų27.42%0.01715%0.154CC..EExtended strand (participates in β ladder)trans-153157.8176.562.5-170.2177-172.80111.2G676 S678 D731 I748 I749G676-K739 PolarHBondContact O-NZ 3.18Å; S678-K739 WeakPolarHBondContact OG-CE 3.3Å; S678-K739 PolarHBondContact OG-NZ 3.38Å; D731-K739 HydrophobicContact CB-CG 3.87Å; D731-K739 WeakPolarHBondContact CB-O 3.43Å; D731-K739 PolarHBondContact N-O 3.46Å; D731-K739 WeakPolarHBondContact OD2-CE 3.46Å; D731-K739 IonicContact OD2-NZ 2.89Å; K739-I748 HydrophobicContact CB-CG2 4.2Å; K739-I748 HydrophobicContact CD-CG2 3.85Å; K739-I748 HydrophobicContact CG-CG2 4.41Å; K739-I749 CarbonylContact C-O 3.58Å; K739-I749 WeakPolarHBondContact CA-O 3.12Å; K739-I749 VanDerWaalsContact CB-O 3.31Å; K739-I749 WeakPolarHBondContact CB-O 3.48Å
740L90.8Very high87.2Confident0 Ų029.6 Ų29.60%017%0.165CC..EExtended strand (participates in β ladder)trans-101.7128.9166-50.3-173.1000109I717 L728 V729 L730 I748 I749 I795 F796I717-L740 HydrophobicContact CD1-CD1 3.81Å; I717-L740 HydrophobicContact CD1-CD2 3.37Å; I717-L740 HydrophobicContact CD1-CG 4.23Å; I717-L740 HydrophobicContact CG1-CD2 4.49Å; L728-L740 HydrophobicContact CB-CB 4.37Å; L728-L740 HydrophobicContact CB-CD1 4.43Å; V729-L740 WeakPolarHBondContact O-CA 3.45Å; L730-L740 HydrophobicContact CB-CD2 4.04Å; L730-L740 HydrophobicContact CD1-CD2 3.68Å; L730-L740 HydrophobicContact CG-CD2 4.49Å; L740-I748 CarbonylContact O-C 3.6Å; L740-I748 VanDerWaalsContact O-CA 3.29Å; L740-I748 WeakPolarHBondContact O-CA 3.47Å; L740-I749 HydrophobicContact CB-CB 4.25Å; L740-I749 PolarHBondContact N-O 3Å; L740-I749 PolarHBondContact O-N 2.91Å; L740-I795 HydrophobicContact CD1-CD1 3.6Å; L740-I795 HydrophobicContact CG-CD1 4.15Å; L740-F796 HydrophobicContact CD1-CZ 4.37Å
741G90.6Very high87Confident13 Ų1329.5 Ų29.513%0.13417%0.165CC..EExtended strand (participates in β ladder)trans-112.6136.8173.100000110.6V729V729-G741 PolarHBondContact N-O 3.2Å; V729-G741 PolarHBondContact O-N 2.83Å
742C91.7Very high86.9Confident1 Ų129.2 Ų29.21%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-67.1135.3166.6-177.40000109.8R677 C720 C723 V727 L728 R744 C745 V747R677-C742 PolarHBondContact NH2-O 2.9Å; C720-C742 HydrophobicContact CB-CB 4.44Å; C723-C742 VanDerWaalsContact SG-SG 3.67Å; V727-C742 WeakPolarHBondContact O-CA 3.45Å; L728-C742 HydrophobicContact CD2-CB 4.16Å; C742-R744 VanDerWaalsContact C-N 3.26Å; C742-R744 PolarHBondContact O-N 2.82Å; C742-R744 PolarHBondContact SG-N 2.68Å; C742-R744 VanDerWaalsContact SG-N 3.35Å; C742-C745 PolarHBondContact SG-N 3.4Å; C742-C745 VanDerWaalsContact SG-N 3.37Å; C742-C745 PolarHBondContact SG-SG 3.08Å; C742-V747 HydrophobicContact CB-CB 3.97Å; C742-V747 PolarHBondContact N-O 2.63Å
743N91.4Very high87Confident11 Ų1136.5 Ų36.56%0.05919%0.193CC..SBendtrans-77.2-9.4176.868.5-9.1000113.8R677 N701 T702 V727 V729R677-N743 VanDerWaalsContact NH2-C 3.26Å; R677-N743 PolarHBondContact NH2-O 3.05Å; N701-N743 WeakPolarHBondContact O-CB 2.98Å; N701-N743 PolarHBondContact O-ND2 3.02Å; T702-N743 HydrophobicContact CG2-CB 3.96Å; V727-N743 PolarHBondContact N-OD1 3.28Å; V727-N743 PolarHBondContact O-N 3.31Å; V727-N743 PolarHBondContact O-OD1 2.76Å; V729-N743 HydrophobicContact CG2-CB 4.19Å
744R88.6Confident87Confident118 Ų11837.7 Ų37.745%0.44521%0.207SC..SBendtrans-115.7-41.8-179.6-62.5-62.3-175.4-173.9-2.8114.9T725 C742T725-R744 WeakPolarHBondContact O-CG 3.43Å; C742-R744 VanDerWaalsContact C-N 3.26Å; C742-R744 PolarHBondContact O-N 2.82Å; C742-R744 PolarHBondContact SG-N 2.68Å; C742-R744 VanDerWaalsContact SG-N 3.35Å
745C87.3Confident87.5Confident29 Ų2935.6 Ų35.620%0.19620%0.196CC..SBendtrans-116.4-176.5-177.974.70000111.9C723 C742 V747C723-C745 HydrophobicContact CB-CB 4.21Å; C742-C745 PolarHBondContact SG-N 3.4Å; C742-C745 VanDerWaalsContact SG-N 3.37Å; C742-C745 PolarHBondContact SG-SG 3.08Å; C745-V747 VanDerWaalsContact C-N 3.26Å; C745-V747 PolarHBondContact O-N 3.17Å; C745-V747 VanDerWaalsContact SG-CG2 3.57Å
746D85.8Confident88.2Confident59 Ų5937.2 Ų37.232%0.31620%0.203SC..SBendtrans-86.713.5-172.4-64.9-17.7000114I748 A810 S813D746-I748 PolarHBondContact O-N 3.27Å; D746-A810 WeakPolarHBondContact O-CB 2.98Å; D746-S813 VanDerWaalsContact OD2-O 3.11Å; D746-S813 PolarHBondContact OD2-OG 3.22Å
747V87.3Confident88.8Confident16 Ų1639.1 Ų39.110%0.09720%0.203CC..  trans-67.6129.2177.5171.50000111E722 L728 C742 C745 I749E722-V747 HydrophobicContact CB-CG2 3.61Å; E722-V747 HydrophobicContact CG-CG2 3.41Å; E722-V747 VanDerWaalsContact CG-CG2 3.41Å; L728-V747 HydrophobicContact CD2-CG1 3.94Å; C742-V747 HydrophobicContact CB-CB 3.97Å; C742-V747 PolarHBondContact N-O 2.63Å; C745-V747 VanDerWaalsContact C-N 3.26Å; C745-V747 PolarHBondContact O-N 3.17Å; C745-V747 VanDerWaalsContact SG-CG2 3.57Å; V747-I749 HydrophobicContact CG1-CG1 4.24Å
748I87.6Confident89.2Confident26 Ų2636.4 Ų36.413%0.13319%0.186CC..EExtended strand (participates in β ladder)trans-135130.6175.2-59.6171.6000108G676 K739 L740 D746G676-I748 VanDerWaalsContact C-CD1 3.45Å; G676-I748 WeakPolarHBondContact O-CD1 3.26Å; K739-I748 HydrophobicContact CB-CG2 4.2Å; K739-I748 HydrophobicContact CD-CG2 3.85Å; K739-I748 HydrophobicContact CG-CG2 4.41Å; L740-I748 CarbonylContact O-C 3.6Å; L740-I748 VanDerWaalsContact O-CA 3.29Å; L740-I748 WeakPolarHBondContact O-CA 3.47Å; D746-I748 PolarHBondContact O-N 3.27Å
749I88.3Confident89.4Confident17 Ų1737.6 Ų37.69%0.08720%0.195CC..EExtended strand (participates in β ladder)trans-121.5117.3178.4-57.9175.7000107.9L728 K739 L740 V747 F796 V805L728-I749 HydrophobicContact CD1-CD1 3.76Å; L728-I749 HydrophobicContact CD2-CD1 4.38Å; K739-I749 CarbonylContact C-O 3.58Å; K739-I749 WeakPolarHBondContact CA-O 3.12Å; K739-I749 VanDerWaalsContact CB-O 3.31Å; K739-I749 WeakPolarHBondContact CB-O 3.48Å; L740-I749 HydrophobicContact CB-CB 4.25Å; L740-I749 PolarHBondContact N-O 3Å; L740-I749 PolarHBondContact O-N 2.91Å; V747-I749 HydrophobicContact CG1-CG1 4.24Å; I749-F796 HydrophobicContact CD1-CE1 4.34Å; I749-V805 HydrophobicContact CG2-CG1 3.41Å; I749-V805 VanDerWaalsContact CG2-CG1 3.41Å
750N88.2Confident89.6Confident51 Ų5138.9 Ų38.927%0.27320%0.203SC..EExtended strand (participates in β ladder)trans-77.6140.6173.5-56.8-43.9000109.5E806N750-E806 HydrophobicContact CB-CB 4.3Å; N750-E806 PolarHBondContact ND2-OE2 2.85Å; N750-E806 PolarHBondContact O-N 3.12Å
751C89.6Confident89.8Confident4 Ų442.1 Ų42.13%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-145.5152.2-178.458.30000111.7W738 K753 I795 L804 V805W738-C751 WeakPolarHBondContact CB-O 3.21Å; W738-C751 PolarHBondContact O-N 3.39Å; W738-C751 VanDerWaalsContact O-N 3.08Å; W738-C751 VanDerWaalsContact O-O 3.12Å; C751-K753 VanDerWaalsContact C-N 3.34Å; C751-K753 PolarHBondContact O-N 3.3Å; C751-I795 HydrophobicContact CB-CD1 3.99Å; C751-L804 WeakPolarHBondContact CA-O 3.16Å; C751-V805 HydrophobicContact CB-CG1 4.5Å; C751-V805 HydrophobicContact CB-CG2 4.12Å
752F90.1Very high89.7Confident2 Ų250.3 Ų50.31%0.00925%0.253CS..SBendtrans49.349.3165.4-50-67.3000114.4G754 A755 I758 V773 V775 Y777 I795 F801 L804 V805F752-G754 PolarHBondContact O-N 3.3Å; F752-G754 VanDerWaalsContact O-N 3.15Å; F752-A755 HydrophobicContact CB-CB 4.03Å; F752-A755 VanDerWaalsContact O-CB 3.3Å; F752-A755 WeakPolarHBondContact O-CB 3.44Å; F752-A755 PolarHBondContact O-N 3.01Å; F752-I758 HydrophobicContact CB-CD1 3.7Å; F752-I758 HydrophobicContact CD2-CD1 3.6Å; F752-I758 HydrophobicContact CG-CD1 4.01Å; F752-V773 HydrophobicContact CE2-CG2 3.99Å; F752-V773 HydrophobicContact CZ-CG2 4.02Å; F752-V775 HydrophobicContact CB-CG1 4.03Å; F752-V775 HydrophobicContact CD1-CB 4.41Å; F752-V775 HydrophobicContact CD1-CG1 3.86Å; F752-V775 HydrophobicContact CD1-CG2 3.9Å; F752-V775 HydrophobicContact CD2-CG2 3.92Å; F752-V775 HydrophobicContact CE1-CG1 4.5Å; F752-V775 HydrophobicContact CE1-CG2 3.84Å; F752-V775 HydrophobicContact CE2-CG2 3.85Å; F752-V775 HydrophobicContact CG-CG1 3.95Å; F752-V775 HydrophobicContact CG-CG2 3.93Å; F752-V775 HydrophobicContact CZ-CG2 3.8Å; F752-Y777 VanDerWaalsContact CA-OH 3.28Å; F752-Y777 WeakPolarHBondContact CA-OH 3.33Å; F752-I795 HydrophobicContact CE2-CD1 3.7Å; F752-I795 HydrophobicContact CE2-CG1 3.82Å; F752-I795 HydrophobicContact CZ-CD1 4.28Å; F752-I795 HydrophobicContact CZ-CG1 3.88Å; F752-F801 HydrophobicContact CE1-CB 3.82Å; F752-F801 AromaticContact CE1-CD1 3.72Å; F752-F801 HydrophobicContact CE1-CD1 3.72Å; F752-F801 AromaticContact CE1-CD2 4Å; F752-F801 HydrophobicContact CE1-CD2 4Å; F752-F801 HydrophobicContact CE1-CE1 4.25Å; F752-F801 HydrophobicContact CE1-CE2 4.46Å; F752-F801 AromaticContact CE1-CG 3.58Å; F752-F801 HydrophobicContact CE1-CG 3.58Å; F752-F801 HydrophobicContact CZ-CB 3.93Å; F752-F801 HydrophobicContact CZ-CD1 4.26Å; F752-F801 AromaticContact CZ-CD2 3.67Å; F752-F801 HydrophobicContact CZ-CD2 3.67Å; F752-F801 HydrophobicContact CZ-CE2 4.17Å; F752-F801 AromaticContact CZ-CG 3.71Å; F752-F801 HydrophobicContact CZ-CG 3.71Å; F752-L804 HydrophobicContact CD1-CB 3.89Å; F752-L804 HydrophobicContact CD1-CD1 4.07Å; F752-L804 HydrophobicContact CE1-CB 4.15Å; F752-L804 HydrophobicContact CE1-CD1 4.37Å; F752-L804 PolarHBondContact N-O 3.19Å; F752-V805 HydrophobicContact CZ-CG2 4.3Å
753K86.6Confident89.7Confident171 Ų17152.6 Ų52.674%0.74327%0.272SS*.THydrogen-bonded Turntrans-56119.8-177.6-176.4179.1-178.9178.80111.1C751C751-K753 VanDerWaalsContact C-N 3.34Å; C751-K753 PolarHBondContact O-N 3.3Å
754G85.3Confident89.7Confident33 Ų3358.5 Ų58.534%0.3430%0.297SS..THydrogen-bonded Turntrans89.81.9178.200000115P736 F752P736-G754 PolarHBondContact O-N 3.13Å; F752-G754 PolarHBondContact O-N 3.3Å; F752-G754 VanDerWaalsContact O-N 3.15Å
755A91Very high89.8Confident0 Ų053.5 Ų53.50%028%0.28CS..  trans-60.6139.6169.600000110.4P736 W738 F752 I758 V775 V776 Y777P736-A755 WeakPolarHBondContact CB-O 3.37Å; W738-A755 PolarHBondContact NE1-O 2.89Å; F752-A755 HydrophobicContact CB-CB 4.03Å; F752-A755 VanDerWaalsContact O-CB 3.3Å; F752-A755 WeakPolarHBondContact O-CB 3.44Å; F752-A755 PolarHBondContact O-N 3.01Å; A755-I758 HydrophobicContact CB-CD1 4.35Å; A755-I758 HydrophobicContact CB-CG1 4.16Å; A755-V775 HydrophobicContact CB-CG1 3.83Å; A755-V776 CarbonylContact C-O 3.57Å; A755-V776 WeakPolarHBondContact CA-O 3.44Å; A755-V776 WeakPolarHBondContact CB-O 3.26Å; A755-Y777 HydrophobicContact CB-CD1 4.27Å; A755-Y777 HydrophobicContact CB-CE1 3.92Å; A755-Y777 HydrophobicContact CB-CE2 4.36Å; A755-Y777 VanDerWaalsContact N-CE1 3.27Å
756T90Very high89.9Confident64 Ų6461.7 Ų61.739%0.39332%0.316SS..SBendtrans-80.1-33.4178.348.80000111.8V776 K778T756-V776 PolarHBondContact N-O 3.32Å; T756-V776 PolarHBondContact OG1-O 3.07Å; T756-K778 HydrophobicContact CG2-CD 4.26Å; T756-K778 HydrophobicContact CG2-CG 3.45Å; T756-K778 VanDerWaalsContact CG2-CG 3.45Å
757K91.4Very high89.9Confident118 Ų11866.6 Ų66.651%0.51334%0.336SS..EExtended strand (participates in β ladder)trans-148.3142.2-179.1-172.3-179174.9-166.50110.3T759 V776K757-T759 HydrophobicContact CG-CG2 4.48Å; K757-V776 HydrophobicContact CB-CB 4.19Å; K757-V776 HydrophobicContact CB-CG2 4.36Å; K757-V776 PolarHBondContact N-O 3.23Å; K757-V776 PolarHBondContact O-N 2.78Å
758I92.7Very high89.8Confident11 Ų1168.9 Ų68.96%0.05635%0.352CS..EExtended strand (participates in β ladder)trans-133.3129.9168.7-54.6-176.5000108L730 W738 F752 A755 V773 N774 V775L730-I758 HydrophobicContact CD1-CG2 4.3Å; L730-I758 HydrophobicContact CD2-CB 4.1Å; L730-I758 HydrophobicContact CD2-CG2 3.7Å; W738-I758 HydrophobicContact CB-CD1 3.59Å; W738-I758 HydrophobicContact CD2-CB 4.25Å; W738-I758 HydrophobicContact CD2-CD1 3.45Å; W738-I758 VanDerWaalsContact CD2-CD1 3.45Å; W738-I758 HydrophobicContact CD2-CG1 3.74Å; W738-I758 HydrophobicContact CE3-CB 4.06Å; W738-I758 HydrophobicContact CE3-CD1 3.91Å; W738-I758 HydrophobicContact CE3-CG1 4.08Å; W738-I758 HydrophobicContact CG-CD1 3.31Å; W738-I758 HydrophobicContact CG-CG1 4.06Å; W738-I758 HydrophobicContact CH2-CB 4.24Å; W738-I758 HydrophobicContact CH2-CG1 4.45Å; W738-I758 HydrophobicContact CZ2-CB 4.43Å; W738-I758 HydrophobicContact CZ2-CG1 4.16Å; W738-I758 HydrophobicContact CZ3-CB 4.04Å; W738-I758 HydrophobicContact CZ3-CG1 4.41Å; F752-I758 HydrophobicContact CB-CD1 3.7Å; F752-I758 HydrophobicContact CD2-CD1 3.6Å; F752-I758 HydrophobicContact CG-CD1 4.01Å; A755-I758 HydrophobicContact CB-CD1 4.35Å; A755-I758 HydrophobicContact CB-CG1 4.16Å; I758-V773 HydrophobicContact CG2-CB 4.22Å; I758-N774 CarbonylContact C-O 3.54Å; I758-N774 VanDerWaalsContact CA-O 3.27Å; I758-N774 WeakPolarHBondContact CA-O 3.38Å; I758-V775 HydrophobicContact CG1-CG1 4.4Å; I758-V775 HydrophobicContact CG1-CG2 4.28Å; I758-V775 HydrophobicContact CG2-CG2 4.19Å
759T93.2Very high89.8Confident42 Ų4269.6 Ų69.626%0.25837%0.367SS..EExtended strand (participates in β ladder)trans-120.7145.3171.847.10000110.5K757 E761 V773 N774K757-T759 HydrophobicContact CG-CG2 4.48Å; T759-E761 PolarHBondContact OG1-OE1 3.36Å; T759-E761 VanDerWaalsContact OG1-OE1 3.07Å; T759-V773 CarbonylContact O-C 3.55Å; T759-V773 WeakPolarHBondContact O-CA 3.2Å; T759-V773 WeakPolarHBondContact O-CB 3.26Å; T759-N774 PolarHBondContact N-O 2.75Å; T759-N774 PolarHBondContact O-N 2.79Å; T759-N774 WeakPolarHBondContact OG1-CB 3.39Å
760V94.4Very high89.9Confident30 Ų3068.8 Ų68.818%0.18236%0.363CS..EExtended strand (participates in β ladder)trans-90.7127.8171.9-179.10000107.2L715 I717 L730 Q771 V773L715-V760 HydrophobicContact CD2-CG2 4.34Å; I717-V760 HydrophobicContact CD1-CG2 4.4Å; I717-V760 HydrophobicContact CG1-CG2 4.11Å; L730-V760 HydrophobicContact CB-CG2 4.24Å; L730-V760 HydrophobicContact CD2-CG2 3.99Å; V760-Q771 HydrophobicContact CG1-CB 3.67Å; V760-Q771 HydrophobicContact CG1-CG 4.24Å; V760-V773 HydrophobicContact CG2-CG1 4.33Å
761E94.2Very high90.1Very high69 Ų6967.9 Ų67.932%0.32236%0.356SS..EExtended strand (participates in β ladder)trans-94.8156.9-178.1-58.1-59.5144.700110.7T759 A763 Q772 N774T759-E761 PolarHBondContact OG1-OE1 3.36Å; T759-E761 VanDerWaalsContact OG1-OE1 3.07Å; E761-A763 VanDerWaalsContact C-N 3.26Å; E761-A763 PolarHBondContact O-N 3.14Å; E761-Q772 HydrophobicContact CB-CB 4.25Å; E761-Q772 PolarHBondContact N-O 2.88Å; E761-N774 HydrophobicContact CG-CB 4.24Å; E761-N774 WeakPolarHBondContact OE1-CB 3.21Å
762E88.6Confident90.4Very high185 Ų18570.4 Ų70.486%0.86437%0.368SS*.EExtended strand (participates in β ladder)trans-68.8-28.1175.6-64.3-173.6169.500112.3Q771E762-Q771 PolarHBondContact O-NE2 2.99Å
763A92.9Very high90.6Very high48 Ų4870.3 Ų70.340%0.39737%0.368SS..EExtended strand (participates in β ladder)trans-61.4136.1-179.900000111.9E761 Q772E761-A763 VanDerWaalsContact C-N 3.26Å; E761-A763 PolarHBondContact O-N 3.14Å; A763-Q772 HydrophobicContact CB-CB 4.42Å; A763-Q772 HydrophobicContact CB-CG 4.27Å; A763-Q772 WeakPolarHBondContact O-CB 3.37Å; A763-Q772 WeakPolarHBondContact O-CG 3.45Å; A763-Q772 PolarHBondContact O-N 2.65Å
764K91.7Very high91.1Very high136 Ų13662.8 Ų62.859%0.59134%0.336SS*.EExtended strand (participates in β ladder)trans-103.6146.7177.5-50.5-154.8173.7-178.80111.5Q766K764-Q766 PolarHBondContact O-N 3.01Å
765C89.4Confident91.5Very high13 Ų1361.2 Ų61.29%0.08832%0.319CS..PPolyproline II helixtrans-68.3127169-176.90000110.1E767 G769 A770 C794C765-E767 PolarHBondContact O-N 2.94Å; C765-G769 WeakPolarHBondContact O-CA 3.49Å; C765-G769 PolarHBondContact O-N 3.03Å; C765-A770 WeakPolarHBondContact CB-O 3.38Å; C765-A770 PolarHBondContact N-O 3.37Å; C765-C794 HydrophobicContact CB-CB 3.69Å; C765-C794 VanDerWaalsContact SG-SG 3.61Å
766Q89.7Confident91.7Very high201 Ų20162.6 Ų62.694%0.93933%0.328SS*.THydrogen-bonded Turntrans-67.6-24.4178.8-66.3-175-10.800113.2K764K764-Q766 PolarHBondContact O-N 3.01Å
767E85.7Confident91.8Very high161 Ų16159.8 Ų59.875%0.75231%0.31SS*.THydrogen-bonded Turntrans-83-50.5-178-63.8179.3-177.400113.2C765 C797C765-E767 PolarHBondContact O-N 2.94Å; E767-C797 VanDerWaalsContact OE2-CB 3.27Å; E767-C797 WeakPolarHBondContact OE2-CB 3.47Å; E767-C797 PolarHBondContact OE2-SG 2.81Å
768C85Confident91.6Very high64 Ų6459.9 Ų59.943%0.43231%0.31SS..THydrogen-bonded Turntrans-114-3.1-173.168.50000114.5A770 C794C768-A770 PolarHBondContact O-N 3.3Å; C768-A770 VanDerWaalsContact SG-CB 3.59Å; C768-C794 PolarHBondContact SG-SG 2.93Å
769G87.3Confident91.1Very high42 Ų4263.4 Ų63.443%0.43334%0.336SS..  trans71.72.8-179.900000115.5C765C765-G769 WeakPolarHBondContact O-CA 3.49Å; C765-G769 PolarHBondContact O-N 3.03Å
770A90.3Very high90.7Very high0 Ų066.8 Ų66.80%035%0.353CS..PPolyproline II helixtrans-70.4147.7177.200000111.9I717 C765 C768 F796I717-A770 HydrophobicContact CG2-CB 4.24Å; I717-A770 CarbonylContact O-C 3.58Å; I717-A770 VanDerWaalsContact O-CA 3.28Å; I717-A770 WeakPolarHBondContact O-CA 3.4Å; C765-A770 WeakPolarHBondContact CB-O 3.38Å; C765-A770 PolarHBondContact N-O 3.37Å; C768-A770 PolarHBondContact O-N 3.3Å; C768-A770 VanDerWaalsContact SG-CB 3.59Å; A770-F796 HydrophobicContact CB-CD2 3.9Å; A770-F796 HydrophobicContact CB-CE2 4.09Å
771Q94.2Very high90.2Very high31 Ų3171 Ų7115%0.14537%0.368CS..EExtended strand (participates in β ladder)trans-64.3139.1172.1-55.4-44.490.500110.1G716 I717 V760 E762G716-Q771 VanDerWaalsContact O-CG 3.32Å; G716-Q771 WeakPolarHBondContact O-CG 3.31Å; I717-Q771 PolarHBondContact O-N 3.29Å; V760-Q771 HydrophobicContact CG1-CB 3.67Å; V760-Q771 HydrophobicContact CG1-CG 4.24Å; E762-Q771 PolarHBondContact O-NE2 2.99Å
772Q94.5Very high89.8Confident57 Ų5769 Ų6927%0.26636%0.362SS..EExtended strand (participates in β ladder)trans-71.4154.4172.5-64.4-172.69.900109.7E761 A763 G793E761-Q772 HydrophobicContact CB-CB 4.25Å; E761-Q772 PolarHBondContact N-O 2.88Å; A763-Q772 HydrophobicContact CB-CB 4.42Å; A763-Q772 HydrophobicContact CB-CG 4.27Å; A763-Q772 WeakPolarHBondContact O-CB 3.37Å; A763-Q772 WeakPolarHBondContact O-CG 3.45Å; A763-Q772 PolarHBondContact O-N 2.65Å; Q772-G793 WeakPolarHBondContact CA-O 3.32Å
773V95Very high89.7Confident1 Ų165.7 Ų65.71%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-124.1142.7174.2-62.10000109.5I717 F752 I758 T759 V760 V775 S792 G793 I795 F801I717-V773 HydrophobicContact CD1-CG1 3.81Å; I717-V773 HydrophobicContact CG1-CG1 4.47Å; F752-V773 HydrophobicContact CE2-CG2 3.99Å; F752-V773 HydrophobicContact CZ-CG2 4.02Å; I758-V773 HydrophobicContact CG2-CB 4.22Å; T759-V773 CarbonylContact O-C 3.55Å; T759-V773 WeakPolarHBondContact O-CA 3.2Å; T759-V773 WeakPolarHBondContact O-CB 3.26Å; V760-V773 HydrophobicContact CG2-CG1 4.33Å; V773-V775 HydrophobicContact CG2-CG2 3.97Å; V773-S792 CarbonylContact O-C 3.53Å; V773-S792 VanDerWaalsContact O-CA 3.27Å; V773-S792 WeakPolarHBondContact O-CA 3.44Å; V773-G793 PolarHBondContact N-O 3.43Å; V773-G793 PolarHBondContact O-N 3.35Å; V773-I795 HydrophobicContact CG2-CB 4.43Å; V773-F801 HydrophobicContact CG2-CD2 4.03Å; V773-F801 HydrophobicContact CG2-CE2 3.59Å; V773-F801 WeakPolarHBondContact O-CE2 3.49Å
774N95.8Very high89.5Confident13 Ų1363.9 Ų63.97%0.0733%0.328CS..EExtended strand (participates in β ladder)trans-97.9131.2166.1172.5-82000108.6I758 T759 E761 E790 K791 S792I758-N774 CarbonylContact C-O 3.54Å; I758-N774 VanDerWaalsContact CA-O 3.27Å; I758-N774 WeakPolarHBondContact CA-O 3.38Å; T759-N774 PolarHBondContact N-O 2.75Å; T759-N774 PolarHBondContact O-N 2.79Å; T759-N774 WeakPolarHBondContact OG1-CB 3.39Å; E761-N774 HydrophobicContact CG-CB 4.24Å; E761-N774 WeakPolarHBondContact OE1-CB 3.21Å; N774-E790 WeakPolarHBondContact ND2-CG 3.21Å; N774-E790 PolarHBondContact ND2-OE1 3.12Å; N774-E790 PolarHBondContact OD1-OE1 2.95Å; N774-K791 WeakPolarHBondContact CA-O 3.41Å; N774-S792 WeakPolarHBondContact CB-OG 3.35Å; N774-S792 PolarHBondContact ND2-OG 2.82Å
775V94.6Very high89.1Confident0 Ų065.2 Ų65.20%033%0.334CS..EExtended strand (participates in β ladder)trans-127.9124.5-174.21780000108.7F752 A755 I758 V773 Y777 F784 E790 K791 F801F752-V775 HydrophobicContact CB-CG1 4.03Å; F752-V775 HydrophobicContact CD1-CB 4.41Å; F752-V775 HydrophobicContact CD1-CG1 3.86Å; F752-V775 HydrophobicContact CD1-CG2 3.9Å; F752-V775 HydrophobicContact CD2-CG2 3.92Å; F752-V775 HydrophobicContact CE1-CG1 4.5Å; F752-V775 HydrophobicContact CE1-CG2 3.84Å; F752-V775 HydrophobicContact CE2-CG2 3.85Å; F752-V775 HydrophobicContact CG-CG1 3.95Å; F752-V775 HydrophobicContact CG-CG2 3.93Å; F752-V775 HydrophobicContact CZ-CG2 3.8Å; A755-V775 HydrophobicContact CB-CG1 3.83Å; I758-V775 HydrophobicContact CG1-CG1 4.4Å; I758-V775 HydrophobicContact CG1-CG2 4.28Å; I758-V775 HydrophobicContact CG2-CG2 4.19Å; V773-V775 HydrophobicContact CG2-CG2 3.97Å; V775-Y777 HydrophobicContact CG1-CD2 4.19Å; V775-Y777 HydrophobicContact CG1-CE2 3.69Å; V775-F784 HydrophobicContact CB-CZ 3.92Å; V775-F784 HydrophobicContact CG1-CZ 3.88Å; V775-E790 WeakPolarHBondContact O-CA 3Å; V775-K791 PolarHBondContact N-O 2.65Å; V775-K791 PolarHBondContact O-N 2.99Å; V775-K791 VanDerWaalsContact O-N 3.16Å; V775-F801 HydrophobicContact CB-CZ 4.31Å; V775-F801 HydrophobicContact CG2-CE2 4.32Å; V775-F801 HydrophobicContact CG2-CZ 4.03Å
776V94.4Very high89Confident29 Ų2969.4 Ų69.418%0.17636%0.355CS..EExtended strand (participates in β ladder)trans-113.4130.9-179.7-172.80000109.8A755 T756 K757 E789 E790A755-V776 CarbonylContact C-O 3.57Å; A755-V776 WeakPolarHBondContact CA-O 3.44Å; A755-V776 WeakPolarHBondContact CB-O 3.26Å; T756-V776 PolarHBondContact N-O 3.32Å; T756-V776 PolarHBondContact OG1-O 3.07Å; K757-V776 HydrophobicContact CB-CB 4.19Å; K757-V776 HydrophobicContact CB-CG2 4.36Å; K757-V776 PolarHBondContact N-O 3.23Å; K757-V776 PolarHBondContact O-N 2.78Å; V776-E789 CarbonylContact C-O 3.5Å; V776-E789 WeakPolarHBondContact CA-O 3.28Å; V776-E790 HydrophobicContact CG2-CB 4.36Å; V776-E790 HydrophobicContact CG2-CG 3.95Å
777Y92.1Very high88.6Confident4 Ų462.2 Ų62.22%0.01634%0.335CS..  trans-110166.5168.8-75.2-84.6000110.5F752 A755 V775 K781 K783 F784 E789F752-Y777 VanDerWaalsContact CA-OH 3.28Å; F752-Y777 WeakPolarHBondContact CA-OH 3.33Å; A755-Y777 HydrophobicContact CB-CD1 4.27Å; A755-Y777 HydrophobicContact CB-CE1 3.92Å; A755-Y777 HydrophobicContact CB-CE2 4.36Å; A755-Y777 VanDerWaalsContact N-CE1 3.27Å; V775-Y777 HydrophobicContact CG1-CD2 4.19Å; V775-Y777 HydrophobicContact CG1-CE2 3.69Å; Y777-K781 WeakPolarHBondContact CD1-O 3.17Å; Y777-K783 HydrophobicContact CD1-CG 4.3Å; Y777-K783 HydrophobicContact CE1-CB 4.15Å; Y777-K783 HydrophobicContact CE1-CG 3.61Å; Y777-K783 HydrophobicContact CE2-CB 4.1Å; Y777-K783 HydrophobicContact CE2-CG 4.46Å; Y777-F784 HydrophobicContact CD2-CD2 4.34Å; Y777-F784 HydrophobicContact CD2-CE1 4.4Å; Y777-F784 AromaticContact CD2-CE2 3.76Å; Y777-F784 HydrophobicContact CD2-CE2 3.76Å; Y777-F784 AromaticContact CD2-CZ 3.79Å; Y777-F784 HydrophobicContact CD2-CZ 3.79Å; Y777-F784 AromaticContact CE2-CE1 3.98Å; Y777-F784 HydrophobicContact CE2-CE1 3.98Å; Y777-F784 HydrophobicContact CE2-CE2 4.18Å; Y777-F784 AromaticContact CE2-CZ 3.74Å; Y777-F784 HydrophobicContact CE2-CZ 3.74Å; Y777-E789 PolarHBondContact N-O 2.84Å
778K88.9Confident88.8Confident120 Ų12056 Ų5652%0.52231%0.31SS..  trans-76.7149.2161.8-62-166.9175.9-170.90109.4T756 D780 K781 S782T756-K778 HydrophobicContact CG2-CD 4.26Å; T756-K778 HydrophobicContact CG2-CG 3.45Å; T756-K778 VanDerWaalsContact CG2-CG 3.45Å; K778-D780 VanDerWaalsContact CB-OD1 3.24Å; K778-D780 WeakPolarHBondContact CB-OD1 3.42Å; K778-D780 PolarHBondContact O-N 3.47Å; K778-D780 VanDerWaalsContact O-N 3.13Å; K778-K781 CarbonylContact O-C 3.49Å; K778-K781 PolarHBondContact O-N 2.93Å; K778-S782 PolarHBondContact O-N 2.92Å
779S82.1Confident89.1Confident85 Ų8557.8 Ų57.859%0.59431%0.312SS*.G310 helixtrans-43.1-44.2176.259.20000114.2K781 E789S779-K781 VanDerWaalsContact C-N 3.32Å; S779-K781 PolarHBondContact O-N 3.29Å; S779-E789 WeakPolarHBondContact CA-OE1 3.27Å; S779-E789 WeakPolarHBondContact CB-OE1 3.13Å
780D83.8Confident89.5Confident114 Ų11461.3 Ų61.361%0.6132%0.317SS*.G310 helixtrans-80.5-5.9-178.168.6-45.7000114.7K778K778-D780 VanDerWaalsContact CB-OD1 3.24Å; K778-D780 WeakPolarHBondContact CB-OD1 3.42Å; K778-D780 PolarHBondContact O-N 3.47Å; K778-D780 VanDerWaalsContact O-N 3.13Å
781K84.1Confident89.7Confident118 Ų11862.8 Ų62.851%0.51332%0.323SS..G310 helixtrans-1329.7-169.6-66.5-177.9-172-175.60114.4Y777 K778 S779 K783Y777-K781 WeakPolarHBondContact CD1-O 3.17Å; K778-K781 CarbonylContact O-C 3.49Å; K778-K781 PolarHBondContact O-N 2.93Å; S779-K781 VanDerWaalsContact C-N 3.32Å; S779-K781 PolarHBondContact O-N 3.29Å; K781-K783 PolarHBondContact O-N 3.46Å
782S86.3Confident89.7Confident27 Ų2764.5 Ų64.519%0.18934%0.338CS..  trans-54.2138.3178.7-1770000111.6K778 F784 S788K778-S782 PolarHBondContact O-N 2.92Å; S782-F784 PolarHBondContact OG-N 3.06Å; S782-S788 VanDerWaalsContact CB-O 3.24Å; S782-S788 WeakPolarHBondContact CB-O 3.37Å; S782-S788 PolarHBondContact OG-O 2.88Å
783K86.2Confident89.7Confident116 Ų11662.1 Ų62.150%0.50433%0.329SS..  trans-108.83.3175.6-58.5-62.8-177.9-173.30112.3Y777 K781 H803 L804Y777-K783 HydrophobicContact CD1-CG 4.3Å; Y777-K783 HydrophobicContact CE1-CB 4.15Å; Y777-K783 HydrophobicContact CE1-CG 3.61Å; Y777-K783 HydrophobicContact CE2-CB 4.1Å; Y777-K783 HydrophobicContact CE2-CG 4.46Å; K781-K783 PolarHBondContact O-N 3.46Å; K783-H803 PolarHBondContact O-NE2 3.35Å; K783-L804 HydrophobicContact CB-CD1 3.94Å; K783-L804 HydrophobicContact CB-CD2 3.56Å; K783-L804 HydrophobicContact CB-CG 4.43Å; K783-L804 HydrophobicContact CG-CD2 4.47Å
784F88.2Confident89.5Confident9 Ų962.4 Ų62.44%0.03933%0.331CS..SBendtrans-77.9142.9173.1-54.6-45.4000110V775 Y777 S782 D786 G787 S788 K791 F801 L804V775-F784 HydrophobicContact CB-CZ 3.92Å; V775-F784 HydrophobicContact CG1-CZ 3.88Å; Y777-F784 HydrophobicContact CD2-CD2 4.34Å; Y777-F784 HydrophobicContact CD2-CE1 4.4Å; Y777-F784 AromaticContact CD2-CE2 3.76Å; Y777-F784 HydrophobicContact CD2-CE2 3.76Å; Y777-F784 AromaticContact CD2-CZ 3.79Å; Y777-F784 HydrophobicContact CD2-CZ 3.79Å; Y777-F784 AromaticContact CE2-CE1 3.98Å; Y777-F784 HydrophobicContact CE2-CE1 3.98Å; Y777-F784 HydrophobicContact CE2-CE2 4.18Å; Y777-F784 AromaticContact CE2-CZ 3.74Å; Y777-F784 HydrophobicContact CE2-CZ 3.74Å; S782-F784 PolarHBondContact OG-N 3.06Å; F784-D786 PolarHBondContact O-N 2.83Å; F784-G787 PolarHBondContact O-N 3.28Å; F784-G787 VanDerWaalsContact O-N 3.17Å; F784-S788 VanDerWaalsContact CD2-O 3.29Å; F784-S788 WeakPolarHBondContact CD2-O 3.45Å; F784-S788 WeakPolarHBondContact CD2-OG 3.14Å; F784-K791 HydrophobicContact CB-CD 4.25Å; F784-K791 HydrophobicContact CD1-CD 4.11Å; F784-K791 HydrophobicContact CD1-CG 4.47Å; F784-K791 HydrophobicContact CD2-CB 4.24Å; F784-K791 HydrophobicContact CD2-CD 4.13Å; F784-K791 HydrophobicContact CD2-CG 3.82Å; F784-K791 HydrophobicContact CE1-CB 4.21Å; F784-K791 HydrophobicContact CE2-CB 3.88Å; F784-K791 HydrophobicContact CE2-CG 3.96Å; F784-K791 HydrophobicContact CG-CD 3.91Å; F784-K791 HydrophobicContact CG-CG 4.12Å; F784-K791 HydrophobicContact CZ-CB 3.86Å; F784-K791 HydrophobicContact CZ-CG 4.34Å; F784-F801 HydrophobicContact CD1-CE1 4.34Å; F784-F801 AromaticContact CE1-CD1 3.86Å; F784-F801 HydrophobicContact CE1-CD1 3.86Å; F784-F801 AromaticContact CE1-CE1 3.49Å; F784-F801 HydrophobicContact CE1-CE1 3.49Å; F784-F801 VanDerWaalsContact CE1-CE1 3.49Å; F784-F801 AromaticContact CZ-CE1 3.97Å; F784-F801 HydrophobicContact CZ-CE1 3.97Å; F784-L804 HydrophobicContact CD1-CD1 3.94Å; F784-L804 HydrophobicContact CE1-CD1 3.91Å
785K84.1Confident89.2Confident164 Ų16461.9 Ų61.971%0.71333%0.328SS*.THydrogen-bonded Turntrans-66-26.1-172.3-69.5-179.7179.8172.80113.5
786D86.2Confident88.7Confident101 Ų10164.6 Ų64.654%0.5434%0.34SS..THydrogen-bonded Turntrans-92.51.7179.861.4-0.3000113.5F784 S788 K791F784-D786 PolarHBondContact O-N 2.83Å; D786-S788 PolarHBondContact O-N 3.29Å; D786-S788 WeakPolarHBondContact OD1-CB 3.26Å; D786-S788 PolarHBondContact OD1-N 3Å; D786-S788 VanDerWaalsContact OD1-N 3.12Å; D786-S788 PolarHBondContact OD1-OG 2.65Å; D786-K791 VanDerWaalsContact CG-CE 3.47Å; D786-K791 VanDerWaalsContact CG-NZ 3.29Å; D786-K791 WeakPolarHBondContact OD1-CE 3.4Å; D786-K791 IonicContact OD1-NZ 2.77Å; D786-K791 PolarHBondContact OD1-NZ 3.19Å; D786-K791 WeakPolarHBondContact OD2-CE 3.4Å; D786-K791 IonicContact OD2-NZ 2.68Å; D786-K791 PolarHBondContact OD2-NZ 3.49Å
787G81.9Confident88.3Confident50 Ų5065.3 Ų65.352%0.51535%0.346SS..  trans74.14.6-179.900000115.1F784F784-G787 PolarHBondContact O-N 3.28Å; F784-G787 VanDerWaalsContact O-N 3.17Å
788S90.1Very high88.2Confident32 Ų3266.3 Ų66.322%0.22435%0.354CS..  trans-58154.4173.156.20000111.7S782 F784 D786 K791S782-S788 VanDerWaalsContact CB-O 3.24Å; S782-S788 WeakPolarHBondContact CB-O 3.37Å; S782-S788 PolarHBondContact OG-O 2.88Å; F784-S788 VanDerWaalsContact CD2-O 3.29Å; F784-S788 WeakPolarHBondContact CD2-O 3.45Å; F784-S788 WeakPolarHBondContact CD2-OG 3.14Å; D786-S788 PolarHBondContact O-N 3.29Å; D786-S788 WeakPolarHBondContact OD1-CB 3.26Å; D786-S788 PolarHBondContact OD1-N 3Å; D786-S788 VanDerWaalsContact OD1-N 3.12Å; D786-S788 PolarHBondContact OD1-OG 2.65Å; S788-K791 WeakPolarHBondContact OG-CE 3.26Å
789E91.1Very high88Confident101 Ų10164 Ų6447%0.47236%0.357SS..SBendtrans-93.7-22.4-178.9-64.7-178.2-16100112.8V776 Y777 S779V776-E789 CarbonylContact C-O 3.5Å; V776-E789 WeakPolarHBondContact CA-O 3.28Å; Y777-E789 PolarHBondContact N-O 2.84Å; S779-E789 WeakPolarHBondContact CA-OE1 3.27Å; S779-E789 WeakPolarHBondContact CB-OE1 3.13Å
790E95.3Very high88.2Confident115 Ų11562.3 Ų62.354%0.53734%0.341SS..EExtended strand (participates in β ladder)trans-141131.3-173.9-179.9171.6177.100110N774 V775 V776N774-E790 WeakPolarHBondContact ND2-CG 3.21Å; N774-E790 PolarHBondContact ND2-OE1 3.12Å; N774-E790 PolarHBondContact OD1-OE1 2.95Å; V775-E790 WeakPolarHBondContact O-CA 3Å; V776-E790 HydrophobicContact CG2-CB 4.36Å; V776-E790 HydrophobicContact CG2-CG 3.95Å
791K94.4Very high88.5Confident32 Ų3256.9 Ų56.914%0.13931%0.312CS..EExtended strand (participates in β ladder)trans-141.5150.6172.3-74-164179.1-1600110.6N774 V775 F784 D786 S788 D800 F801N774-K791 WeakPolarHBondContact CA-O 3.41Å; V775-K791 PolarHBondContact N-O 2.65Å; V775-K791 PolarHBondContact O-N 2.99Å; V775-K791 VanDerWaalsContact O-N 3.16Å; F784-K791 HydrophobicContact CB-CD 4.25Å; F784-K791 HydrophobicContact CD1-CD 4.11Å; F784-K791 HydrophobicContact CD1-CG 4.47Å; F784-K791 HydrophobicContact CD2-CB 4.24Å; F784-K791 HydrophobicContact CD2-CD 4.13Å; F784-K791 HydrophobicContact CD2-CG 3.82Å; F784-K791 HydrophobicContact CE1-CB 4.21Å; F784-K791 HydrophobicContact CE2-CB 3.88Å; F784-K791 HydrophobicContact CE2-CG 3.96Å; F784-K791 HydrophobicContact CG-CD 3.91Å; F784-K791 HydrophobicContact CG-CG 4.12Å; F784-K791 HydrophobicContact CZ-CB 3.86Å; F784-K791 HydrophobicContact CZ-CG 4.34Å; D786-K791 VanDerWaalsContact CG-CE 3.47Å; D786-K791 VanDerWaalsContact CG-NZ 3.29Å; D786-K791 WeakPolarHBondContact OD1-CE 3.4Å; D786-K791 IonicContact OD1-NZ 2.77Å; D786-K791 PolarHBondContact OD1-NZ 3.19Å; D786-K791 WeakPolarHBondContact OD2-CE 3.4Å; D786-K791 IonicContact OD2-NZ 2.68Å; D786-K791 PolarHBondContact OD2-NZ 3.49Å; S788-K791 WeakPolarHBondContact OG-CE 3.26Å; K791-D800 HydrophobicContact CD-CB 3.89Å; K791-D800 WeakPolarHBondContact CD-OD2 3.33Å; K791-D800 IonicContact NZ-OD1 3.14Å; K791-D800 PolarHBondContact NZ-OD1 3.17Å; K791-D800 IonicContact NZ-OD2 2.81Å; K791-D800 PolarHBondContact NZ-OD2 3Å; K791-F801 HydrophobicContact CB-CE1 3.84Å; K791-F801 HydrophobicContact CB-CZ 4.16Å; K791-F801 WeakPolarHBondContact O-CZ 3.28Å
792S94.9Very high88.3Confident66 Ų6654.3 Ų54.346%0.46231%0.309SS..EExtended strand (participates in β ladder)trans-115142.1170-61.60000110.6V773 N774V773-S792 CarbonylContact O-C 3.53Å; V773-S792 VanDerWaalsContact O-CA 3.27Å; V773-S792 WeakPolarHBondContact O-CA 3.44Å; N774-S792 WeakPolarHBondContact CB-OG 3.35Å; N774-S792 PolarHBondContact ND2-OG 2.82Å
793G93.4Very high88.2Confident7 Ų757 Ų577%0.07232%0.319CS..EExtended strand (participates in β ladder)trans175176.5177.600000114.5Q772 V773 F801Q772-G793 WeakPolarHBondContact CA-O 3.32Å; V773-G793 PolarHBondContact N-O 3.43Å; V773-G793 PolarHBondContact O-N 3.35Å; G793-F801 VanDerWaalsContact N-CE2 3.35Å; G793-F801 VanDerWaalsContact O-CE2 3.28Å; G793-F801 WeakPolarHBondContact O-CE2 3.3Å
794C91.2Very high88.2Confident7 Ų752.8 Ų52.85%0.04730%0.302CS..EExtended strand (participates in β ladder)trans-73.6128.2174.1179.10000110.7C765 C768 F796 C797 S798C765-C794 HydrophobicContact CB-CB 3.69Å; C765-C794 VanDerWaalsContact SG-SG 3.61Å; C768-C794 PolarHBondContact SG-SG 2.93Å; C794-F796 PolarHBondContact O-N 2.8Å; C794-F796 PolarHBondContact SG-N 2.89Å; C794-F796 VanDerWaalsContact SG-N 3.39Å; C794-C797 HydrophobicContact CB-CB 3.97Å; C794-C797 PolarHBondContact SG-N 3.3Å; C794-C797 VanDerWaalsContact SG-N 3.38Å; C794-S798 WeakPolarHBondContact O-CB 3.39Å; C794-S798 PolarHBondContact O-N 3.21Å
795I89.2Confident88.1Confident2 Ų253.1 Ų53.11%0.0130%0.304CS..THydrogen-bonded Turntrans-59.7-27.7177.8-166.6173.1000113.3I717 L740 C751 F752 V773 V805I717-I795 HydrophobicContact CG2-CG2 3.94Å; L740-I795 HydrophobicContact CD1-CD1 3.6Å; L740-I795 HydrophobicContact CG-CD1 4.15Å; C751-I795 HydrophobicContact CB-CD1 3.99Å; F752-I795 HydrophobicContact CE2-CD1 3.7Å; F752-I795 HydrophobicContact CE2-CG1 3.82Å; F752-I795 HydrophobicContact CZ-CD1 4.28Å; F752-I795 HydrophobicContact CZ-CG1 3.88Å; V773-I795 HydrophobicContact CG2-CB 4.43Å; I795-V805 HydrophobicContact CD1-CG1 4.46Å; I795-V805 HydrophobicContact CD1-CG2 3.95Å; I795-V805 HydrophobicContact CG1-CG1 4.41Å; I795-V805 HydrophobicContact CG1-CG2 3.42Å; I795-V805 VanDerWaalsContact CG1-CG2 3.42Å
796F85.9Confident87.7Confident57 Ų5749.5 Ų49.525%0.2529%0.29CS..THydrogen-bonded Turntrans-100-32.8-176.8-54.6-62.6000114.3I717 S718 L728 L740 I749 A770 C794I717-F796 HydrophobicContact CG2-CE2 4.26Å; S718-F796 VanDerWaalsContact OG-CE2 3.27Å; S718-F796 WeakPolarHBondContact OG-CE2 3.45Å; L728-F796 HydrophobicContact CD1-CZ 3.88Å; L740-F796 HydrophobicContact CD1-CZ 4.37Å; I749-F796 HydrophobicContact CD1-CE1 4.34Å; A770-F796 HydrophobicContact CB-CD2 3.9Å; A770-F796 HydrophobicContact CB-CE2 4.09Å; C794-F796 PolarHBondContact O-N 2.8Å; C794-F796 PolarHBondContact SG-N 2.89Å; C794-F796 VanDerWaalsContact SG-N 3.39Å
797C85.8Confident86.5Confident44 Ų4453.1 Ų53.130%0.29730%0.301SS..THydrogen-bonded Turntrans-105.2-24.6-172-61.70000113.8E767 C794 A799E767-C797 VanDerWaalsContact OE2-CB 3.27Å; E767-C797 WeakPolarHBondContact OE2-CB 3.47Å; E767-C797 PolarHBondContact OE2-SG 2.81Å; C794-C797 HydrophobicContact CB-CB 3.97Å; C794-C797 PolarHBondContact SG-N 3.3Å; C794-C797 VanDerWaalsContact SG-N 3.38Å; C797-A799 PolarHBondContact O-N 2.71Å
798S88.3Confident85.1Confident25 Ų2556.1 Ų56.118%0.17530%0.301CS..  trans-68.9128.2-177.8179.30000110.9C794 D800 F801 S802C794-S798 WeakPolarHBondContact O-CB 3.39Å; C794-S798 PolarHBondContact O-N 3.21Å; S798-D800 PolarHBondContact O-N 2.78Å; S798-D800 PolarHBondContact OG-N 3.01Å; S798-F801 PolarHBondContact O-N 2.84Å; S798-S802 WeakPolarHBondContact O-CB 3.37Å; S798-S802 PolarHBondContact O-N 3.31Å; S798-S802 PolarHBondContact O-OG 3.17Å
799A84.8Confident82.9Confident73 Ų7365.2 Ų65.260%0.60333%0.331SS*.THydrogen-bonded Turntrans-59.9-26.9174.700000112.5C797C797-A799 PolarHBondContact O-N 2.71Å
800D86.9Confident80.5Confident48 Ų4862.1 Ų62.126%0.25732%0.322SS..THydrogen-bonded Turntrans-77.7-21.4176.9-75.8-50.1000113.8K791 S798 H803K791-D800 HydrophobicContact CD-CB 3.89Å; K791-D800 WeakPolarHBondContact CD-OD2 3.33Å; K791-D800 IonicContact NZ-OD1 3.14Å; K791-D800 PolarHBondContact NZ-OD1 3.17Å; K791-D800 IonicContact NZ-OD2 2.81Å; K791-D800 PolarHBondContact NZ-OD2 3Å; S798-D800 PolarHBondContact O-N 2.78Å; S798-D800 PolarHBondContact OG-N 3.01Å; D800-H803 PolarHBondContact O-CE1 2.82Å
801F90.2Very high77.7Confident0 Ų063.4 Ų63.40%034%0.338CS..THydrogen-bonded Turntrans-109.3-30.9-174.6-68.2-4.2000113.3F752 V773 V775 F784 K791 G793 S798 H803 L804 V805F752-F801 HydrophobicContact CE1-CB 3.82Å; F752-F801 AromaticContact CE1-CD1 3.72Å; F752-F801 HydrophobicContact CE1-CD1 3.72Å; F752-F801 AromaticContact CE1-CD2 4Å; F752-F801 HydrophobicContact CE1-CD2 4Å; F752-F801 HydrophobicContact CE1-CE1 4.25Å; F752-F801 HydrophobicContact CE1-CE2 4.46Å; F752-F801 AromaticContact CE1-CG 3.58Å; F752-F801 HydrophobicContact CE1-CG 3.58Å; F752-F801 HydrophobicContact CZ-CB 3.93Å; F752-F801 HydrophobicContact CZ-CD1 4.26Å; F752-F801 AromaticContact CZ-CD2 3.67Å; F752-F801 HydrophobicContact CZ-CD2 3.67Å; F752-F801 HydrophobicContact CZ-CE2 4.17Å; F752-F801 AromaticContact CZ-CG 3.71Å; F752-F801 HydrophobicContact CZ-CG 3.71Å; V773-F801 HydrophobicContact CG2-CD2 4.03Å; V773-F801 HydrophobicContact CG2-CE2 3.59Å; V773-F801 WeakPolarHBondContact O-CE2 3.49Å; V775-F801 HydrophobicContact CB-CZ 4.31Å; V775-F801 HydrophobicContact CG2-CE2 4.32Å; V775-F801 HydrophobicContact CG2-CZ 4.03Å; F784-F801 HydrophobicContact CD1-CE1 4.34Å; F784-F801 AromaticContact CE1-CD1 3.86Å; F784-F801 HydrophobicContact CE1-CD1 3.86Å; F784-F801 AromaticContact CE1-CE1 3.49Å; F784-F801 HydrophobicContact CE1-CE1 3.49Å; F784-F801 VanDerWaalsContact CE1-CE1 3.49Å; F784-F801 AromaticContact CZ-CE1 3.97Å; F784-F801 HydrophobicContact CZ-CE1 3.97Å; K791-F801 HydrophobicContact CB-CE1 3.84Å; K791-F801 HydrophobicContact CB-CZ 4.16Å; K791-F801 WeakPolarHBondContact O-CZ 3.28Å; G793-F801 VanDerWaalsContact N-CE2 3.35Å; G793-F801 VanDerWaalsContact O-CE2 3.28Å; G793-F801 WeakPolarHBondContact O-CE2 3.3Å; S798-F801 PolarHBondContact O-N 2.84Å; F801-H803 PolarHBondContact O-N 2.8Å; F801-H803 VanDerWaalsContact O-N 3.08Å; F801-L804 WeakPolarHBondContact O-CA 3.4Å; F801-L804 WeakPolarHBondContact O-CB 3.33Å; F801-L804 PolarHBondContact O-N 3.49Å; F801-V805 WeakPolarHBondContact O-CG2 3.42Å
802S80.5Confident74.8Confident64 Ų6466 Ų6645%0.44837%0.365SS..G310 helixtrans-54.9-32.2-17360.70000114.1S798S798-S802 WeakPolarHBondContact O-CB 3.37Å; S798-S802 PolarHBondContact O-N 3.31Å; S798-S802 PolarHBondContact O-OG 3.17Å
803H83.2Confident71.9Confident85 Ų8565.9 Ų65.939%0.39437%0.365SS..G310 helixtrans-82.1-9.8176.367.6-79.6000114.5K783 D800 F801K783-H803 PolarHBondContact O-NE2 3.35Å; D800-H803 PolarHBondContact O-CE1 2.82Å; F801-H803 PolarHBondContact O-N 2.8Å; F801-H803 VanDerWaalsContact O-N 3.08Å
804L87.5Confident68.8Low27 Ų2777 Ų7714%0.14140%0.404CS..G310 helixtrans-100.24.4-179-57.4-179000113.2C751 F752 K783 F784 F801C751-L804 WeakPolarHBondContact CA-O 3.16Å; F752-L804 HydrophobicContact CD1-CB 3.89Å; F752-L804 HydrophobicContact CD1-CD1 4.07Å; F752-L804 HydrophobicContact CE1-CB 4.15Å; F752-L804 HydrophobicContact CE1-CD1 4.37Å; F752-L804 PolarHBondContact N-O 3.19Å; K783-L804 HydrophobicContact CB-CD1 3.94Å; K783-L804 HydrophobicContact CB-CD2 3.56Å; K783-L804 HydrophobicContact CB-CG 4.43Å; K783-L804 HydrophobicContact CG-CD2 4.47Å; F784-L804 HydrophobicContact CD1-CD1 3.94Å; F784-L804 HydrophobicContact CE1-CD1 3.91Å; F801-L804 WeakPolarHBondContact O-CA 3.4Å; F801-L804 WeakPolarHBondContact O-CB 3.33Å; F801-L804 PolarHBondContact O-N 3.49Å
805V85.1Confident66Low15 Ų1581.9 Ų81.99%0.09144%0.436CS..EExtended strand (participates in β ladder)trans-118111.7-177-178.30000107.8I749 C751 F752 I795 F801 K807I749-V805 HydrophobicContact CG2-CG1 3.41Å; I749-V805 VanDerWaalsContact CG2-CG1 3.41Å; C751-V805 HydrophobicContact CB-CG1 4.5Å; C751-V805 HydrophobicContact CB-CG2 4.12Å; F752-V805 HydrophobicContact CZ-CG2 4.3Å; I795-V805 HydrophobicContact CD1-CG1 4.46Å; I795-V805 HydrophobicContact CD1-CG2 3.95Å; I795-V805 HydrophobicContact CG1-CG1 4.41Å; I795-V805 HydrophobicContact CG1-CG2 3.42Å; I795-V805 VanDerWaalsContact CG1-CG2 3.42Å; F801-V805 WeakPolarHBondContact O-CG2 3.42Å; V805-K807 PolarHBondContact O-N 3.04Å; V805-K807 VanDerWaalsContact O-N 3.13Å
806E75.7Confident63.2Low89 Ų8988 Ų8842%0.41647%0.473SS..EExtended strand (participates in β ladder)trans-77.6102.8176.6-64.6174174.500108.1N750 H808N750-E806 HydrophobicContact CB-CB 4.3Å; N750-E806 PolarHBondContact ND2-OE2 2.85Å; N750-E806 PolarHBondContact O-N 3.12Å; E806-H808 PolarHBondContact O-N 3.32Å; E806-H808 IonicContact OE2-CD2 3.51Å; E806-H808 PolarHBondContact OE2-CD2 3.15Å; E806-H808 IonicContact OE2-NE2 3.5Å; E806-H808 PolarHBondContact OE2-NE2 3.33Å
807K62.1Low60.4Low177 Ų17795.4 Ų95.477%0.7750%0.499SS*.  trans-69.367.4167.1-74-175.5-179.6175.40110.1V805V805-K807 PolarHBondContact O-N 3.04Å; V805-K807 VanDerWaalsContact O-N 3.13Å
808H52.5Low57.8Low113 Ų11398.6 Ų98.652%0.52352%0.522SS..PPolyproline II helixtrans-79.6120.6165.8-77.2-58.5000108.7E806 A810E806-H808 PolarHBondContact O-N 3.32Å; E806-H808 IonicContact OE2-CD2 3.51Å; E806-H808 PolarHBondContact OE2-CD2 3.15Å; E806-H808 IonicContact OE2-NE2 3.5Å; E806-H808 PolarHBondContact OE2-NE2 3.33Å; H808-A810 PolarHBondContact O-N 3.35Å; H808-A810 VanDerWaalsContact O-N 3.14Å
809R44Very low55Low222 Ų222101.2 Ų101.284%0.83855%0.553SS**PPolyproline II helixtrans-55.5118155.8-86.1-179.6171.9165.7-0.5106.2V811R809-V811 PolarHBondContact O-N 3.03Å
810A40.3Very low52.5Low36 Ų36100.2 Ų100.230%0.29855%0.55SS..PPolyproline II helixtrans-53.8131.6-178.900000110.3D746 H808 A812D746-A810 WeakPolarHBondContact O-CB 2.98Å; H808-A810 PolarHBondContact O-N 3.35Å; H808-A810 VanDerWaalsContact O-N 3.14Å; A810-A812 PolarHBondContact O-N 2.77Å; A810-A812 VanDerWaalsContact O-N 3.11Å
811V35.7Very low49.7Very low142 Ų142101.6 Ų101.686%0.86158%0.576SS**  trans-61115.3168-176.10000106R809 S813R809-V811 PolarHBondContact O-N 3.03Å; V811-S813 PolarHBondContact O-N 3.02Å
812A33.1Very low47.1Very low86 Ų86110 Ų11071%0.71161%0.613SS**  trans-53.7112.3-178.800000110.3A810A810-A812 PolarHBondContact O-N 2.77Å; A810-A812 VanDerWaalsContact O-N 3.11Å
813S34.3Very low44.8Very low65 Ų65117.9 Ų117.946%0.45563%0.632SS.*PPolyproline II helixtrans-65.9129.7154.336.60000107.3D746 V811 P815D746-S813 VanDerWaalsContact OD2-O 3.11Å; D746-S813 PolarHBondContact OD2-OG 3.22Å; V811-S813 PolarHBondContact O-N 3.02Å; S813-P815 WeakPolarHBondContact O-CD 3.4Å
814R28.2Very low42.1Very low239 Ų239118 Ų11890%0.90266%0.657SS**PPolyproline II helixtrans-57.4123.8173.4-79.5178.1166.8-175.1-3108.4V816R814-V816 PolarHBondContact O-N 2.91Å
815P33.4Very low39.3Very low110 Ų110120.1 Ų120.171%0.71469%0.685SS**PPolyproline II helixtrans-68.9129.2179.624.2-30.3000110.2S813 R817S813-P815 WeakPolarHBondContact O-CD 3.4Å; P815-R817 PolarHBondContact O-N 2.81Å
816V29.5Very low36.8Very low130 Ų130129.4 Ų129.479%0.78873%0.725SS**PPolyproline II helixtrans-65.7117.3160.7177.60000106.6R814 S818R814-V816 PolarHBondContact O-N 2.91Å; V816-S818 PolarHBondContact O-N 3.07Å
817R28Very low34.6Very low213 Ų213130.6 Ų130.680%0.80475%0.75SS**  trans-60106.8176.1-80.2176.9163.9177.2-5.3109.5P815P815-R817 PolarHBondContact O-N 2.81Å
818S31.4Very low33.2Very low112 Ų112125.5 Ų125.578%0.78375%0.747SS**  trans-108.1140.9156.869.20000109V816V816-S818 PolarHBondContact O-N 3.07Å
819G29.3Very low32.1Very low79 Ų79132.6 Ų132.681%0.81477%0.769SS**  trans-59.8132.3-160.600000115G821G819-G821 PolarHBondContact O-N 3.49Å
820G31.5Very low31.6Very low52 Ų52125.9 Ų125.954%0.53677%0.769SS.*  trans-63.7112.9171.600000112K69K69-G820 PolarHBondContact NZ-O 2.79Å
821G29Very low31.1Very low78 Ų78128 Ų12880%0.80480%0.795SS**  trans-65.3122.1156.700000109.3G819G819-G821 PolarHBondContact O-N 3.49Å
822F33.8Very low30.9Very low177 Ų177125.5 Ų125.578%0.77680%0.797SS**  trans-85.5123.9175.2-110.6-98.8000109.4
823R33.5Very low30.8Very low228 Ų228125.5 Ų125.586%0.8681%0.806SS**  trans12.2113.7146.5-71.4177.9167.5-179.2-5.3116.5
824G27.1Very low30.5Very low89 Ų89132 Ų13292%0.91883%0.831SS**  trans-57.4131.916300000111.6
825G27.8Very low30.7Very low71 Ų71124.7 Ų124.773%0.73283%0.83SS**  trans-137.3126.8167.600000108.9
826K32.2Very low30.6Very low210 Ų210123 Ų12391%0.91383%0.833SS**  trans112.383.8165.5-66.8-173.8172.4-176.90115.8G828K826-G828 PolarHBondContact O-N 3.43Å
827A29.6Very low30.6Very low114 Ų114121.8 Ų121.894%0.94284%0.837SS**  trans-71.699.4141.300000107.9
828G32.3Very low30.8Very low70 Ų70115.5 Ų115.572%0.72283%0.83SS**  trans-101.7112.2165.100000108.6K826K826-G828 PolarHBondContact O-N 3.43Å
829R30.7Very low30.7Very low262 Ų262120.5 Ų120.599%0.98984%0.838SS**  trans-60.4129.6166.5-81.2173.5161.4176.2-6.3109.1
830G31.9Very low30.7Very low80 Ų80120.2 Ų120.283%0.82584%0.836SS**  trans-158.499.216700000108.5
831G30.9Very low30.5Very low82 Ų82123.9 Ų123.985%0.84585%0.853SS**  trans-98.5154.6171.600000111.1
832G31.7Very low30.6Very low88 Ų88124.2 Ų124.291%0.90786%0.857SS**  trans97.4125.6151.600000116.7
833G30.6Very low30.4Very low86 Ų86119.5 Ų119.589%0.88786%0.857SS**  trans136.3110.314900000115.7
834M29.1Very low30.2Very low201 Ų201113.3 Ų113.399%0.9986%0.855SS**  trans-78.5166.1179.2-72.818015800114.6
835G32.3Very low30.5Very low86 Ų86115.3 Ų115.389%0.88785%0.849SS**  trans117.1130.1154.900000112.4
836G31.3Very low30.6Very low75 Ų75117.7 Ų117.777%0.77385%0.85SS**  cis158.5130.96.900000107.6
837A29.4Very low30.5Very low104 Ų104112.7 Ų112.786%0.8685%0.848SS**  trans57.9132.1155.300000121.9
838A30.7Very low30.6Very low81 Ų81111.4 Ų111.467%0.66985%0.845SS**  133.5115.6112.600000116.2
839F29.9Very low30.5Very low217 Ų217111.9 Ų111.995%0.95285%0.85SS**  trans51.3137.4140.5-63.7-86.8000120.4
840G29.6Very low30.5Very low74 Ų74103.1 Ų103.176%0.76384%0.841SS**  cis-171.3176.818.100000113.9
841S28Very low31.2Very low129 Ų129105.3 Ų105.390%0.90284%0.841SS**  trans-109.6154.4-177.842.40000111.1
842G30.7Very low31.3Very low85 Ų85109 Ų10988%0.87684%0.841SS**  trans140.5131.9169.800000110.4
843G30Very low31.2Very low77 Ų77109.5 Ų109.579%0.79484%0.837SS**  cis-175.1160.83.200000107.8
844A29.2Very low31.1Very low98 Ų98109.2 Ų109.281%0.8183%0.834SS**  trans-73.2165.5172.900000112
845V33.7Very low31.1Very low131 Ų131103.7 Ų103.779%0.79483%0.828SS**  trans168.9109.1131.11690000111.3
846T30Very low30.9Very low122 Ų122103 Ų10375%0.74882%0.822SS**  trans32.4133137.871.30000125.8
847A29Very low30.9Very low105 Ų105106.7 Ų106.787%0.86883%0.829SS**  83.7137.3119.700000123.8
848G31.2Very low30.8Very low86 Ų86113.3 Ų113.389%0.88783%0.832SS**  trans127.112516100000111.9
849G31.3Very low30.8Very low80 Ų80113 Ų11383%0.82584%0.836SS**  cis-170.9159.7400000108.1
850G31Very low30.7Very low78 Ų78108.2 Ų108.280%0.80483%0.829SS**  trans-87.3-144.4-170.400000116.6
851P45.1Very low30.6Very low126 Ų126116.1 Ų116.182%0.81884%0.836SS**  -123.7-176.3-123.836-17.9000115.3
852N33.1Very low30.7Very low159 Ų159115.6 Ų115.685%0.8583%0.828SS**  trans128128144.9-101.3-14.2000119.7
853A30.3Very low30.7Very low100 Ų100116.3 Ų116.383%0.82683%0.825SS**  72.4131.9128.700000123.6
854G27.5Very low30.7Very low79 Ų79121.2 Ų121.281%0.81482%0.824SS**  trans143.5110.5133.500000119.4
855G30.7Very low30.8Very low85 Ų85123 Ų12388%0.87682%0.82SS**  trans80.4129.5151.500000117.3
856G26.5Very low30.6Very low73 Ų73126.4 Ų126.475%0.75383%0.825SS**  cis98.1100.32200000111
857V32Very low30.7Very low151 Ų151128.8 Ų128.892%0.91583%0.829SS**  trans-177.6140.3143.2161.20000111.1
858R28Very low30.7Very low244 Ų244126.6 Ų126.692%0.92182%0.817SS**  trans-65.1149.3177.3-67.2169.9168.8178.8-4.3113.5
859G30.4Very low30.7Very low74 Ų74130.8 Ų130.876%0.76381%0.813SS**  trans-167.196.2167.200000115
860S28.1Very low30.7Very low116 Ų116132.2 Ų132.281%0.81180%0.801SS**  trans42.8124.5140.2-167.90000122.4
861R26.9Very low30.7Very low241 Ų241132.3 Ų132.391%0.90979%0.794SS**  trans-34.4132.8153.1-70.9171.5169.4175.1-4.2114
862V29.9Very low30Very low118 Ų118131.2 Ų131.272%0.71579%0.79SS**  trans-149.1123.3139.4-175.50000108.7K864V862-K864 HydrophobicContact CG1-CG 4.11Å
863A30Very low30Very low100 Ų100133.5 Ų133.583%0.82679%0.788SS**  trans-70.8123.8166.900000109.3
864K31Very low29.9Very low179 Ų179135.4 Ų135.478%0.77878%0.778SS**  trans-136103.8167.3-78.2-170.6176.5-178.70110.4V862V862-K864 HydrophobicContact CG1-CG 4.11Å
865D30.8Very low30.2Very low135 Ų135141.6 Ų141.672%0.72280%0.799SS**  trans30.899131.8-163.6-0.9000117M867D865-M867 PolarHBondContact OD1-N 2.87Å; D865-M867 VanDerWaalsContact OD1-N 3.13Å
866K30.8Very low30.2Very low204 Ų204144.4 Ų144.489%0.88780%0.795SS**SBendtrans-88.28.1177.4-85.1-173.7173.7-175.50114
867M30.4Very low30.3Very low172 Ų172148.2 Ų148.285%0.84780%0.798SS**SBendtrans-95.6-12176.6-78.8-144.9-141.100114.8D865D865-M867 PolarHBondContact OD1-N 2.87Å; D865-M867 VanDerWaalsContact OD1-N 3.13Å
868G29.6Very low30.3Very low58 Ų58148 Ų14860%0.59879%0.791SS**THydrogen-bonded Turntrans-85.9-7-173.500000117.5
869Q30.7Very low30.4Very low174 Ų174142.4 Ų142.481%0.81378%0.784SS**THydrogen-bonded Turntrans-1072.8-173.4-75.3-176.9-8.100115.2
870L31.8Very low30.4Very low110 Ų110146.6 Ų146.658%0.57679%0.785SS**SBendtrans-88.7-10.6176.4-80.7160.9000113.8
871A31Very low30.5Very low80 Ų80148.7 Ų148.766%0.66178%0.783SS**THydrogen-bonded Turntrans-83.7-9.6-176.200000114.9
872S30.2Very low30.8Very low103 Ų103142.1 Ų142.172%0.7277%0.774SS**THydrogen-bonded Turntrans-99.113.2-177.463.70000114.7
873Y32.9Very low30.9Very low207 Ų207143.9 Ų143.981%0.81278%0.779SS**SBendtrans-114.62.9174.8-95.5-84.4000113.9
874F29.3Very low30.9Very low140 Ų140147.6 Ų147.661%0.61478%0.775SS**  trans-123.844-174.2-72.1-79.4000113.5
875V32.6Very low30.9Very low209 Ų209144.7 Ų144.7100%1.26777%0.774SS**  trans-131.60159.8-176.50000109.2

Retrieved 875 of 875 residues in 773.2 ms (Link to these results)