A0A5K4EFP2_SCHMA Loading...

Putative maf protein

AlphaFold DB (A0A3Q0KGM9), UniProt , Accession A0A5K4EFP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 218 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.9Very low49Very low187 Ų18770.7 Ų70.792%0.92134%0.335SS*.  0-53.30-97.4-166.9-92.900114.3K3 Y4 Y5M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 2.83Å; M1-K3 VanDerWaalsContact O-N 3.17Å; M1-Y4 PolarHBondContact O-N 2.97Å; M1-Y5 PolarHBondContact O-N 3.04Å
2L32.5Very low50Low92 Ų9273.3 Ų73.348%0.48234%0.344SS..Hα-helixtrans-60.3-20.7-178.3-91.682.2000117.2Y5 H6 L197 W204L2-Y5 VanDerWaalsContact O-CB 3.23Å; L2-Y5 WeakPolarHBondContact O-CB 3.25Å; L2-Y5 PolarHBondContact O-N 3.11Å; L2-H6 PolarHBondContact O-CD2 2.86Å; L2-H6 PolarHBondContact O-N 2.85Å; L2-L197 HydrophobicContact CB-CD1 4.28Å; L2-L197 HydrophobicContact CD1-CD1 3.8Å; L2-W204 HydrophobicContact CB-CH2 3.35Å; L2-W204 HydrophobicContact CB-CZ2 3.62Å
3K41.9Very low50.9Low14 Ų1473.6 Ų73.66%0.06135%0.35CS..Hα-helixtrans-73.3-46.2177.8-61.2176.4169.4-162.50112.5M1 Y5 H6 V7 T160 N161 I195 W204M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 2.83Å; M1-K3 VanDerWaalsContact O-N 3.17Å; K3-Y5 PolarHBondContact O-N 2.95Å; K3-H6 PolarHBondContact O-N 2.86Å; K3-V7 PolarHBondContact O-N 2.89Å; K3-T160 HydrophobicContact CB-CG2 4.35Å; K3-T160 HydrophobicContact CD-CG2 3.14Å; K3-T160 HydrophobicContact CG-CG2 3.69Å; K3-N161 PolarHBondContact NZ-O 3.23Å; K3-I195 HydrophobicContact CD-CD1 3.9Å; K3-I195 HydrophobicContact CD-CG2 4.41Å; K3-W204 HydrophobicContact CB-CH2 4.33Å; K3-W204 HydrophobicContact CB-CZ2 4.32Å; K3-W204 HydrophobicContact CD-CD2 3.95Å; K3-W204 HydrophobicContact CD-CE3 4.13Å; K3-W204 HydrophobicContact CD-CG 4.22Å; K3-W204 HydrophobicContact CD-CH2 4.36Å; K3-W204 HydrophobicContact CD-CZ2 4.27Å; K3-W204 HydrophobicContact CD-CZ3 4.27Å; K3-W204 HydrophobicContact CG-CD2 3.88Å; K3-W204 VanDerWaalsContact CG-CE2 3.44Å; K3-W204 HydrophobicContact CG-CE3 4.1Å; K3-W204 HydrophobicContact CG-CG 4.49Å; K3-W204 HydrophobicContact CG-CH2 3.48Å; K3-W204 VanDerWaalsContact CG-CH2 3.48Å; K3-W204 HydrophobicContact CG-CZ2 3.29Å; K3-W204 HydrophobicContact CG-CZ3 3.87Å; K3-W204 VanDerWaalsContact N-CH2 3.28Å; K3-W204 VanDerWaalsContact NZ-CG 3.26Å
4Y50.9Low51.6Low73 Ų7370.4 Ų70.429%0.28634%0.335SS..Hα-helixtrans-58.5-35.2169.4-75.3-75.9000109.9M1 H6 V7 M8 R40 I44M1-Y4 PolarHBondContact O-N 2.97Å; Y4-H6 VanDerWaalsContact C-N 3.32Å; Y4-H6 PolarHBondContact O-N 3.33Å; Y4-V7 PolarHBondContact O-N 2.88Å; Y4-M8 WeakPolarHBondContact O-CA 3.45Å; Y4-M8 WeakPolarHBondContact O-CB 3.34Å; Y4-M8 WeakPolarHBondContact O-CG 3.39Å; Y4-M8 PolarHBondContact O-N 3.44Å; Y4-M8 VanDerWaalsContact O-SD 3.39Å; Y4-R40 VanDerWaalsContact CE2-CZ 3.49Å; Y4-R40 VanDerWaalsContact CZ-NE 3.31Å; Y4-R40 PolarHBondContact OH-NE 3.32Å; Y4-R40 VanDerWaalsContact OH-NE 3.07Å; Y4-R40 PolarHBondContact OH-NH1 3.29Å; Y4-R40 VanDerWaalsContact OH-NH1 3.17Å; Y4-R40 PolarHBondContact OH-NH2 2.99Å; Y4-I44 HydrophobicContact CD1-CD1 3.21Å; Y4-I44 HydrophobicContact CD1-CG1 4.03Å; Y4-I44 HydrophobicContact CE1-CD1 3.34Å; Y4-I44 HydrophobicContact CG-CD1 4.2Å
5Y48.2Very low52.1Low126 Ų12667.2 Ų67.249%0.49432%0.319SS..Hα-helixtrans-58.7-36.1173.2-174.8-96.9000113.6M1 L2 K3 K9M1-Y5 PolarHBondContact O-N 3.04Å; L2-Y5 VanDerWaalsContact O-CB 3.23Å; L2-Y5 WeakPolarHBondContact O-CB 3.25Å; L2-Y5 PolarHBondContact O-N 3.11Å; K3-Y5 PolarHBondContact O-N 2.95Å; Y5-K9 HydrophobicContact CD1-CD 4.5Å; Y5-K9 HydrophobicContact CE1-CD 3.84Å; Y5-K9 WeakPolarHBondContact O-CA 3.4Å; Y5-K9 WeakPolarHBondContact O-CB 3.31Å; Y5-K9 PolarHBondContact O-N 3.41Å
6H48.8Very low52.5Low90 Ų9067.2 Ų67.242%0.41732%0.321SS..Hα-helixtrans-70.6-46.4177.1-73.1-74.9000112.7L2 K3 Y4 K9 A10 E158L2-H6 PolarHBondContact O-CD2 2.86Å; L2-H6 PolarHBondContact O-N 2.85Å; K3-H6 PolarHBondContact O-N 2.86Å; Y4-H6 VanDerWaalsContact C-N 3.32Å; Y4-H6 PolarHBondContact O-N 3.33Å; H6-K9 PolarHBondContact O-N 3.01Å; H6-A10 WeakPolarHBondContact O-CB 3.36Å; H6-A10 PolarHBondContact O-N 2.94Å; H6-E158 WeakPolarHBondContact CB-OE1 3.44Å; H6-E158 IonicContact CG-OE1 2.68Å
7V53Low52.8Low22 Ų2266.4 Ų66.413%0.13332%0.324CS..Hα-helixtrans-63.1-45.4174.1-178.90000110.7K3 Y4 K9 A10 I11 V140 E158K3-V7 PolarHBondContact O-N 2.89Å; Y4-V7 PolarHBondContact O-N 2.88Å; V7-K9 VanDerWaalsContact C-N 3.31Å; V7-K9 PolarHBondContact O-N 3.29Å; V7-A10 PolarHBondContact O-N 2.97Å; V7-I11 HydrophobicContact CG1-CD1 3.84Å; V7-I11 HydrophobicContact CG1-CG1 4.41Å; V7-I11 WeakPolarHBondContact O-CB 3.45Å; V7-I11 VanDerWaalsContact O-CG1 3.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.49Å; V7-I11 PolarHBondContact O-N 2.81Å; V7-V140 HydrophobicContact CG1-CG2 4.24Å; V7-E158 HydrophobicContact CG2-CB 3.55Å; V7-E158 HydrophobicContact CG2-CG 3.77Å
8M57.4Low52.8Low39 Ų3963.4 Ų63.419%0.19231%0.312CS..Hα-helixtrans-61.7-38.3174.9-72.1164.174.700111.4Y4 F12 I44 I48Y4-M8 WeakPolarHBondContact O-CA 3.45Å; Y4-M8 WeakPolarHBondContact O-CB 3.34Å; Y4-M8 WeakPolarHBondContact O-CG 3.39Å; Y4-M8 PolarHBondContact O-N 3.44Å; Y4-M8 VanDerWaalsContact O-SD 3.39Å; M8-F12 WeakPolarHBondContact O-CA 3.17Å; M8-F12 WeakPolarHBondContact O-CB 3.46Å; M8-F12 PolarHBondContact O-N 2.92Å; M8-I44 HydrophobicContact CE-CG2 4.3Å; M8-I44 HydrophobicContact CG-CG2 3.32Å; M8-I44 HydrophobicContact SD-CG2 3.73Å; M8-I48 HydrophobicContact CE-CG2 3.26Å
9K55.2Low52.9Low96 Ų9664.6 Ų64.642%0.41732%0.318SS..Hα-helixtrans-72.5-36.6177.8-176.5176.8-177.9-176.10110.9Y5 H6 V7 N13Y5-K9 HydrophobicContact CD1-CD 4.5Å; Y5-K9 HydrophobicContact CE1-CD 3.84Å; Y5-K9 WeakPolarHBondContact O-CA 3.4Å; Y5-K9 WeakPolarHBondContact O-CB 3.31Å; Y5-K9 PolarHBondContact O-N 3.41Å; H6-K9 PolarHBondContact O-N 3.01Å; V7-K9 VanDerWaalsContact C-N 3.31Å; V7-K9 PolarHBondContact O-N 3.29Å; K9-N13 WeakPolarHBondContact O-CA 3.37Å; K9-N13 WeakPolarHBondContact O-CB 3.3Å; K9-N13 PolarHBondContact O-N 3.28Å; K9-N13 PolarHBondContact O-ND2 3.12Å; K9-N13 PolarHBondContact O-OD1 3.48Å
10A57.6Low52.8Low26 Ų2666.2 Ų66.222%0.21533%0.327CS..Hα-helixtrans-64.9-50.317200000110.5H6 V7 F12 N13 I14 F156H6-A10 WeakPolarHBondContact O-CB 3.36Å; H6-A10 PolarHBondContact O-N 2.94Å; V7-A10 PolarHBondContact O-N 2.97Å; A10-F12 PolarHBondContact O-N 3.23Å; A10-N13 PolarHBondContact O-N 3.16Å; A10-I14 WeakPolarHBondContact O-CB 3.4Å; A10-I14 WeakPolarHBondContact O-CD1 3.48Å; A10-I14 WeakPolarHBondContact O-CG1 3.18Å; A10-I14 PolarHBondContact O-N 2.93Å; A10-F156 HydrophobicContact CB-CD2 4.35Å; A10-F156 HydrophobicContact CB-CE2 3.67Å; A10-F156 HydrophobicContact CB-CZ 4.15Å
11I58.6Low52.7Low13 Ų1368.6 Ų68.67%0.06735%0.349CS..Hα-helixtrans-56.4-50.3173.6-69.2171.8000110.1V7 N13 I14 F15 L45 V140 F156V7-I11 HydrophobicContact CG1-CD1 3.84Å; V7-I11 HydrophobicContact CG1-CG1 4.41Å; V7-I11 WeakPolarHBondContact O-CB 3.45Å; V7-I11 VanDerWaalsContact O-CG1 3.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.49Å; V7-I11 PolarHBondContact O-N 2.81Å; I11-N13 PolarHBondContact O-N 3.42Å; I11-I14 PolarHBondContact O-N 3.06Å; I11-F15 HydrophobicContact CG2-CD2 3.58Å; I11-F15 HydrophobicContact CG2-CE2 3.68Å; I11-F15 VanDerWaalsContact O-CD2 3.24Å; I11-F15 WeakPolarHBondContact O-CD2 3.42Å; I11-F15 PolarHBondContact O-N 3.02Å; I11-L45 HydrophobicContact CG2-CD2 4.13Å; I11-V140 HydrophobicContact CG1-CG1 4.43Å; I11-F156 HydrophobicContact CG1-CZ 4.01Å
12F61.3Low53.4Low102 Ų10261.1 Ų61.145%0.44732%0.316SS..Hα-helixtrans-62.4-40.8178.8-177.7-93.8000112.2M8 A10 I14 F15 L16M8-F12 WeakPolarHBondContact O-CA 3.17Å; M8-F12 WeakPolarHBondContact O-CB 3.46Å; M8-F12 PolarHBondContact O-N 2.92Å; A10-F12 PolarHBondContact O-N 3.23Å; F12-I14 VanDerWaalsContact C-N 3.34Å; F12-F15 CarbonylContact O-C 3.55Å; F12-F15 PolarHBondContact O-N 2.95Å; F12-L16 HydrophobicContact CE1-CD2 4.38Å; F12-L16 WeakPolarHBondContact O-CB 3.46Å; F12-L16 PolarHBondContact O-N 3.36Å
13N61Low54.2Low77 Ų7763 Ų6341%0.41233%0.325SS..Hα-helixtrans-68.6-34.5175.7-75.8-13.2000111.5K9 A10 I11 L16 S17K9-N13 WeakPolarHBondContact O-CA 3.37Å; K9-N13 WeakPolarHBondContact O-CB 3.3Å; K9-N13 PolarHBondContact O-N 3.28Å; K9-N13 PolarHBondContact O-ND2 3.12Å; K9-N13 PolarHBondContact O-OD1 3.48Å; A10-N13 PolarHBondContact O-N 3.16Å; I11-N13 PolarHBondContact O-N 3.42Å; N13-L16 PolarHBondContact O-N 3.22Å; N13-S17 VanDerWaalsContact O-CB 3.23Å; N13-S17 WeakPolarHBondContact O-CB 3.45Å; N13-S17 PolarHBondContact O-N 2.95Å; N13-S17 PolarHBondContact O-OG 2.82Å
14I61Low54.7Low29 Ų2969 Ų6915%0.14936%0.358CS..Hα-helixtrans-68.6-45.2173.6-68.5163.5000109.5A10 I11 F12 L16 S17 A18 L142 W144 F156A10-I14 WeakPolarHBondContact O-CB 3.4Å; A10-I14 WeakPolarHBondContact O-CD1 3.48Å; A10-I14 WeakPolarHBondContact O-CG1 3.18Å; A10-I14 PolarHBondContact O-N 2.93Å; I11-I14 PolarHBondContact O-N 3.06Å; F12-I14 VanDerWaalsContact C-N 3.34Å; I14-L16 VanDerWaalsContact C-N 3.34Å; I14-L16 PolarHBondContact O-N 2.61Å; I14-S17 WeakPolarHBondContact CA-OG 2.94Å; I14-S17 PolarHBondContact O-N 2.69Å; I14-S17 PolarHBondContact O-OG 3.31Å; I14-A18 VanDerWaalsContact O-CB 3.25Å; I14-A18 WeakPolarHBondContact O-CB 3.38Å; I14-A18 PolarHBondContact O-N 2.92Å; I14-L142 HydrophobicContact CD1-CD1 4.32Å; I14-L142 HydrophobicContact CG2-CD1 4.45Å; I14-L142 HydrophobicContact CG2-CD2 3.86Å; I14-W144 HydrophobicContact CG2-CZ2 4.46Å; I14-F156 HydrophobicContact CD1-CD1 3.59Å; I14-F156 HydrophobicContact CD1-CE1 3.07Å; I14-F156 HydrophobicContact CD1-CE2 4.48Å; I14-F156 HydrophobicContact CD1-CG 4.48Å; I14-F156 HydrophobicContact CD1-CZ 3.59Å
15F58.8Low54.6Low22 Ų2273.9 Ų73.910%0.09638%0.381CS..Hα-helixtrans-59.1-44.5172.1-89.9-73.7000111.7I11 F12 A18 M19 I32 L50 V98 I100 L142I11-F15 HydrophobicContact CG2-CD2 3.58Å; I11-F15 HydrophobicContact CG2-CE2 3.68Å; I11-F15 VanDerWaalsContact O-CD2 3.24Å; I11-F15 WeakPolarHBondContact O-CD2 3.42Å; I11-F15 PolarHBondContact O-N 3.02Å; F12-F15 CarbonylContact O-C 3.55Å; F12-F15 PolarHBondContact O-N 2.95Å; F15-A18 PolarHBondContact O-N 2.81Å; F15-M19 WeakPolarHBondContact O-CB 3.41Å; F15-M19 PolarHBondContact O-N 2.95Å; F15-I32 HydrophobicContact CD1-CD1 4.35Å; F15-I32 HydrophobicContact CE1-CD1 3.61Å; F15-I32 HydrophobicContact CE1-CG1 4.21Å; F15-I32 HydrophobicContact CE1-CG2 4.41Å; F15-I32 HydrophobicContact CZ-CD1 4.24Å; F15-I32 HydrophobicContact CZ-CG2 4.07Å; F15-L50 HydrophobicContact CD1-CD1 4.32Å; F15-L50 HydrophobicContact CE1-CD1 4.32Å; F15-L50 HydrophobicContact CE1-CD2 4.42Å; F15-L50 HydrophobicContact CE2-CD2 3.96Å; F15-L50 HydrophobicContact CZ-CD2 3.94Å; F15-V98 HydrophobicContact CE1-CG1 4.12Å; F15-V98 HydrophobicContact CZ-CG1 3.94Å; F15-I100 HydrophobicContact CE2-CD1 3.59Å; F15-I100 HydrophobicContact CE2-CG1 4.25Å; F15-I100 HydrophobicContact CZ-CD1 3.51Å; F15-I100 HydrophobicContact CZ-CG1 4.01Å; F15-L142 HydrophobicContact CE2-CD2 4.11Å; F15-L142 HydrophobicContact CZ-CD2 4.37Å
16L58.9Low54.9Low67 Ų6773 Ų7335%0.35139%0.385SS..Hα-helixtrans-65.4-45.3177.7-175.365000111F12 N13 I14 A18 M19 L20F12-L16 HydrophobicContact CE1-CD2 4.38Å; F12-L16 WeakPolarHBondContact O-CB 3.46Å; F12-L16 PolarHBondContact O-N 3.36Å; N13-L16 PolarHBondContact O-N 3.22Å; I14-L16 VanDerWaalsContact C-N 3.34Å; I14-L16 PolarHBondContact O-N 2.61Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.22Å; L16-M19 WeakPolarHBondContact O-CB 3.49Å; L16-M19 PolarHBondContact O-N 3.12Å; L16-L20 HydrophobicContact CD1-CD1 4.48Å; L16-L20 HydrophobicContact CG-CD1 4.07Å; L16-L20 WeakPolarHBondContact O-CB 3.33Å; L16-L20 WeakPolarHBondContact O-CG 3.34Å; L16-L20 PolarHBondContact O-N 3.26Å
17S57.9Low55.2Low53 Ų5371.7 Ų71.737%0.37138%0.381SS..Hα-helixtrans-65.5-37.2177.865.10000111.9N13 I14 L20 C21N13-S17 VanDerWaalsContact O-CB 3.23Å; N13-S17 WeakPolarHBondContact O-CB 3.45Å; N13-S17 PolarHBondContact O-N 2.95Å; N13-S17 PolarHBondContact O-OG 2.82Å; I14-S17 WeakPolarHBondContact CA-OG 2.94Å; I14-S17 PolarHBondContact O-N 2.69Å; I14-S17 PolarHBondContact O-OG 3.31Å; S17-L20 CarbonylContact O-C 3.52Å; S17-L20 PolarHBondContact O-N 3.01Å; S17-C21 VanDerWaalsContact O-CB 3.32Å; S17-C21 WeakPolarHBondContact O-CB 3.49Å; S17-C21 PolarHBondContact O-N 2.91Å
18A53.3Low55.4Low13 Ų1380.4 Ų80.411%0.10742%0.416CS..Hα-helixtrans-72.1-35.8173.200000112.5I14 F15 L16 L20 C21 S22 W144I14-A18 VanDerWaalsContact O-CB 3.25Å; I14-A18 WeakPolarHBondContact O-CB 3.38Å; I14-A18 PolarHBondContact O-N 2.92Å; F15-A18 PolarHBondContact O-N 2.81Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.22Å; A18-L20 VanDerWaalsContact C-N 3.26Å; A18-L20 PolarHBondContact O-N 3.43Å; A18-C21 PolarHBondContact O-N 2.78Å; A18-S22 WeakPolarHBondContact O-CB 3.48Å; A18-S22 PolarHBondContact O-N 3.44Å; A18-S22 PolarHBondContact O-OG 3.37Å; A18-W144 HydrophobicContact CB-CE3 4.36Å; A18-W144 HydrophobicContact CB-CH2 2.93Å; A18-W144 HydrophobicContact CB-CZ2 3.21Å; A18-W144 HydrophobicContact CB-CZ3 3.53Å
19M53.8Low56.4Low86 Ų8681.4 Ų81.442%0.42443%0.427SS..Hα-helixtrans-60.2-40.4171.4-159.6-164.998.300110.8F15 L16 L23 L27F15-M19 WeakPolarHBondContact O-CB 3.41Å; F15-M19 PolarHBondContact O-N 2.95Å; L16-M19 WeakPolarHBondContact O-CB 3.49Å; L16-M19 PolarHBondContact O-N 3.12Å; M19-L23 PolarHBondContact O-N 2.72Å; M19-L27 HydrophobicContact CB-CD1 4.1Å; M19-L27 HydrophobicContact CB-CD2 4.06Å; M19-L27 HydrophobicContact CG-CD1 3.38Å; M19-L27 HydrophobicContact CG-CD2 3.91Å; M19-L27 HydrophobicContact CG-CG 4.21Å
20L50.8Low57.9Low96 Ų9678.1 Ų78.150%0.50341%0.414SS..Hα-helixtrans-74.2-36.5176.4-68.5170.2000112.3L16 S17 A18 L23L16-L20 HydrophobicContact CD1-CD1 4.48Å; L16-L20 HydrophobicContact CG-CD1 4.07Å; L16-L20 WeakPolarHBondContact O-CB 3.33Å; L16-L20 WeakPolarHBondContact O-CG 3.34Å; L16-L20 PolarHBondContact O-N 3.26Å; S17-L20 CarbonylContact O-C 3.52Å; S17-L20 PolarHBondContact O-N 3.01Å; A18-L20 VanDerWaalsContact C-N 3.26Å; A18-L20 PolarHBondContact O-N 3.43Å; L20-L23 HydrophobicContact CD2-CD1 4Å; L20-L23 WeakPolarHBondContact O-CD1 3.35Å; L20-L23 WeakPolarHBondContact O-CG 3.48Å
21C50.6Low59.4Low117 Ų11779.7 Ų79.779%0.79142%0.419SS*.Hα-helixtrans-72.5-29.7175.5-85.40000112.7S17 A18S17-C21 VanDerWaalsContact O-CB 3.32Å; S17-C21 WeakPolarHBondContact O-CB 3.49Å; S17-C21 PolarHBondContact O-N 2.91Å; A18-C21 PolarHBondContact O-N 2.78Å
22S50.6Low61Low31 Ų3180.3 Ų80.322%0.21742%0.422CS..THydrogen-bonded Turntrans-97.421178.891.60000113.4A18 D24 K25 L27A18-S22 WeakPolarHBondContact O-CB 3.48Å; A18-S22 PolarHBondContact O-N 3.44Å; A18-S22 PolarHBondContact O-OG 3.37Å; S22-D24 PolarHBondContact O-N 2.92Å; S22-K25 PolarHBondContact O-N 3.11Å; S22-L27 WeakPolarHBondContact OG-CD1 3.22Å; S22-L27 WeakPolarHBondContact OG-CG 3.42Å
23L47.8Very low62.5Low130 Ų13075.6 Ų75.668%0.68140%0.402SS*.THydrogen-bonded Turntrans-581171.7-82.2171.4000113.9M19 L20M19-L23 PolarHBondContact O-N 2.72Å; L20-L23 HydrophobicContact CD2-CD1 4Å; L20-L23 WeakPolarHBondContact O-CD1 3.35Å; L20-L23 WeakPolarHBondContact O-CG 3.48Å
24D53.1Low64Low140 Ų14072 Ų7275%0.74938%0.383SS*.THydrogen-bonded Turntrans-111.811.9179.6-150.512.4000115.5S22S22-D24 PolarHBondContact O-N 2.92Å
25K48.3Very low65.6Low177 Ų17770.7 Ų70.777%0.7738%0.375SS*.SBendtrans173.7113.3151.5-93.8145.9-159.8176.40112.7S22S22-K25 PolarHBondContact O-N 3.11Å
26D54.3Low67Low107 Ų10769.7 Ų69.757%0.57237%0.372SS*.  trans39.681.9157.6-63.3-37.3000119.2K28 S29D26-K28 PolarHBondContact O-N 3.33Å; D26-K28 VanDerWaalsContact O-N 3.08Å; D26-S29 WeakPolarHBondContact O-CB 3.38Å; D26-S29 PolarHBondContact O-N 3.44Å; D26-S29 PolarHBondContact O-OG 2.67Å
27L55Low68.3Low63 Ų6369 Ų6933%0.3337%0.37SS..G310 helixtrans-54.8-21.2155.7-73.8113.9000113M19 S22 S29 I30M19-L27 HydrophobicContact CB-CD1 4.1Å; M19-L27 HydrophobicContact CB-CD2 4.06Å; M19-L27 HydrophobicContact CG-CD1 3.38Å; M19-L27 HydrophobicContact CG-CD2 3.91Å; M19-L27 HydrophobicContact CG-CG 4.21Å; S22-L27 WeakPolarHBondContact OG-CD1 3.22Å; S22-L27 WeakPolarHBondContact OG-CG 3.42Å; L27-S29 PolarHBondContact O-N 2.97Å; L27-S29 VanDerWaalsContact O-N 3.12Å; L27-I30 HydrophobicContact CD2-CD1 4.47Å; L27-I30 HydrophobicContact CG-CD1 4.42Å; L27-I30 PolarHBondContact O-N 3.13Å; L27-I30 VanDerWaalsContact O-N 3.13Å
28K58.3Low69.4Low204 Ų20467 Ų6789%0.88736%0.356SS*.G310 helixtrans-59.5-17.1172.1-72.1-174.8178179.60113.3D26D26-K28 PolarHBondContact O-N 3.33Å; D26-K28 VanDerWaalsContact O-N 3.08Å
29S78.1Confident70.7Confident60 Ų6069.4 Ų69.442%0.4237%0.371SS..G310 helixtrans-100.93.7178.972.20000114.3D26 L27D26-S29 WeakPolarHBondContact O-CB 3.38Å; D26-S29 PolarHBondContact O-N 3.44Å; D26-S29 PolarHBondContact O-OG 2.67Å; L27-S29 PolarHBondContact O-N 2.97Å; L27-S29 VanDerWaalsContact O-N 3.12Å
30I86Confident71.7Confident28 Ų2868.6 Ų68.614%0.14436%0.363CS..EExtended strand (participates in β ladder)trans-100118-177.6-58.8-179.8000109.8L27 N96 V98L27-I30 HydrophobicContact CD2-CD1 4.47Å; L27-I30 HydrophobicContact CG-CD1 4.42Å; L27-I30 PolarHBondContact O-N 3.13Å; L27-I30 VanDerWaalsContact O-N 3.13Å; I30-N96 HydrophobicContact CG1-CB 4.01Å; I30-V98 HydrophobicContact CG2-CB 4.28Å; I30-V98 HydrophobicContact CG2-CG2 3.6Å
31D91Very high73.1Confident58 Ų5865.3 Ų65.331%0.3134%0.344SS..EExtended strand (participates in β ladder)trans-80.2119.2173.1-76.7-17.7000109.7R95 N96 Y97 V98D31-R95 VanDerWaalsContact OD2-CD 3.3Å; D31-R95 WeakPolarHBondContact OD2-CD 3.38Å; D31-R95 IonicContact OD2-CZ 3.52Å; D31-R95 IonicContact OD2-NH1 2.72Å; D31-R95 PolarHBondContact OD2-NH1 2.83Å; D31-N96 PolarHBondContact N-O 2.93Å; D31-Y97 HydrophobicContact CB-CD1 3.63Å; D31-Y97 HydrophobicContact CB-CE1 3.87Å; D31-Y97 VanDerWaalsContact O-CA 3.27Å; D31-Y97 WeakPolarHBondContact O-CA 3.25Å; D31-V98 PolarHBondContact O-N 3.2Å
32I90.5Very high74.7Confident26 Ų2663.7 Ų63.713%0.13332%0.323CS..EExtended strand (participates in β ladder)trans-90.4127.8176.5-56.4176.4000109.2F15 L50 F52 S53 I100F15-I32 HydrophobicContact CD1-CD1 4.35Å; F15-I32 HydrophobicContact CE1-CD1 3.61Å; F15-I32 HydrophobicContact CE1-CG1 4.21Å; F15-I32 HydrophobicContact CE1-CG2 4.41Å; F15-I32 HydrophobicContact CZ-CD1 4.24Å; F15-I32 HydrophobicContact CZ-CG2 4.07Å; I32-L50 HydrophobicContact CD1-CD1 3.44Å; I32-L50 VanDerWaalsContact CD1-CD1 3.44Å; I32-L50 HydrophobicContact CD1-CD2 4.15Å; I32-L50 HydrophobicContact CD1-CG 3.76Å; I32-L50 HydrophobicContact CG2-CD2 3.97Å; I32-L50 HydrophobicContact CG2-CG 4.45Å; I32-F52 HydrophobicContact CB-CB 3.99Å; I32-F52 HydrophobicContact CG2-CB 3.78Å; I32-F52 CarbonylContact O-C 3.57Å; I32-F52 WeakPolarHBondContact O-CA 3.44Å; I32-F52 WeakPolarHBondContact O-CB 3.4Å; I32-S53 PolarHBondContact O-N 3.35Å; I32-I100 HydrophobicContact CG2-CD1 3.78Å; I32-I100 HydrophobicContact CG2-CG1 4.39Å
33I93.7Very high76.1Confident4 Ų468 Ų682%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-124.2124.8-176.7-56.6-173.6000110S53 I55 V86 L90 Y97 V98 V99 I100I33-S53 CarbonylContact C-O 3.53Å; I33-S53 WeakPolarHBondContact CA-O 3.02Å; I33-I55 HydrophobicContact CD1-CD1 4.12Å; I33-I55 HydrophobicContact CG2-CB 4.17Å; I33-I55 HydrophobicContact CG2-CD1 3.8Å; I33-I55 HydrophobicContact CG2-CG1 3.86Å; I33-V86 HydrophobicContact CG2-CG1 3.8Å; I33-L90 HydrophobicContact CD1-CD1 3.65Å; I33-L90 HydrophobicContact CD1-CD2 3.45Å; I33-L90 VanDerWaalsContact CD1-CD2 3.45Å; I33-L90 HydrophobicContact CD1-CG 4.21Å; I33-Y97 HydrophobicContact CD1-CD1 3.49Å; I33-Y97 VanDerWaalsContact CD1-CD1 3.49Å; I33-Y97 HydrophobicContact CD1-CE1 3.87Å; I33-Y97 HydrophobicContact CD1-CG 4.39Å; I33-Y97 HydrophobicContact CG1-CD1 4.19Å; I33-V98 PolarHBondContact N-O 3.48Å; I33-V99 HydrophobicContact CB-CG2 4.29Å; I33-V99 HydrophobicContact CG2-CG1 4.5Å; I33-V99 CarbonylContact O-C 3.49Å; I33-V99 WeakPolarHBondContact O-CA 3.23Å; I33-I100 PolarHBondContact O-N 3.43Å
34L93.2Very high77.5Confident2 Ų262.9 Ų62.91%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-91.8108.2170.1177.264000110.2S36 R41 K42 L45 F52 S53 S54 I55L34-S36 PolarHBondContact O-N 3.36Å; L34-R41 HydrophobicContact CD2-CB 4.13Å; L34-K42 HydrophobicContact CD2-CG 3.74Å; L34-L45 HydrophobicContact CB-CD1 4.26Å; L34-L45 HydrophobicContact CD1-CD1 3.82Å; L34-L45 HydrophobicContact CD2-CD1 4.15Å; L34-L45 HydrophobicContact CG-CD1 4.28Å; L34-F52 HydrophobicContact CB-CD2 3.75Å; L34-F52 HydrophobicContact CB-CE2 4.11Å; L34-F52 HydrophobicContact CD2-CD2 4.41Å; L34-F52 HydrophobicContact CD2-CE2 3.9Å; L34-S53 PolarHBondContact N-O 2.83Å; L34-S54 VanDerWaalsContact O-CA 3.3Å; L34-S54 WeakPolarHBondContact O-CA 3.35Å; L34-S54 PolarHBondContact O-OG 3.27Å; L34-I55 PolarHBondContact O-N 3.08Å
35A93.8Very high78.7Confident0 Ų056.5 Ų56.50%028%0.279CS..EExtended strand (participates in β ladder)trans-77.162.1172.200000111.6I55 V86 V99 I100A35-I55 WeakPolarHBondContact CA-O 3.28Å; A35-V86 HydrophobicContact CB-CB 3.93Å; A35-V86 HydrophobicContact CB-CG1 4.46Å; A35-V86 HydrophobicContact CB-CG2 3.47Å; A35-V86 VanDerWaalsContact CB-CG2 3.47Å; A35-V99 HydrophobicContact CB-CG1 3.99Å; A35-I100 WeakPolarHBondContact CB-O 3.24Å; A35-I100 PolarHBondContact N-O 2.94Å
36S88.5Confident80.3Confident2 Ų249.8 Ų49.81%0.01426%0.26CS..  trans-160.5138.8-179.1161.40000111.9L34 S38 R41 S54 I55L34-S36 PolarHBondContact O-N 3.36Å; S36-S38 VanDerWaalsContact OG-CB 3.28Å; S36-S38 WeakPolarHBondContact OG-CB 3.22Å; S36-S38 PolarHBondContact OG-N 3.38Å; S36-R41 PolarHBondContact OG-NH1 3.48Å; S36-S54 PolarHBondContact O-OG 3.09Å; S36-I55 PolarHBondContact N-O 3.27Å
37T85.4Confident81.4Confident53 Ų5350.2 Ų50.233%0.32526%0.262SS..  trans-85-10.1171.753.90000113.9P39 C56 S188T37-P39 VanDerWaalsContact O-CD 3.28Å; T37-P39 WeakPolarHBondContact O-CD 3.49Å; T37-C56 HydrophobicContact CG2-CB 3.69Å; T37-C56 WeakPolarHBondContact CG2-SG 3.26Å; T37-S188 WeakPolarHBondContact OG1-CB 3.32Å; T37-S188 PolarHBondContact OG1-OG 2.83Å
38S82.3Confident82.4Confident10 Ų1049.6 Ų49.67%0.0726%0.259CS..  trans-63117.2-175.1-1730000112.5S36 R40 R41 K42 S188S36-S38 VanDerWaalsContact OG-CB 3.28Å; S36-S38 WeakPolarHBondContact OG-CB 3.22Å; S36-S38 PolarHBondContact OG-N 3.38Å; S38-R40 PolarHBondContact O-N 2.94Å; S38-R41 PolarHBondContact O-N 3.21Å; S38-K42 PolarHBondContact O-N 2.89Å; S38-S188 WeakPolarHBondContact CB-O 3.4Å; S38-S188 PolarHBondContact N-OG 2.88Å; S38-S188 PolarHBondContact OG-O 2.87Å
39P80.1Confident83.4Confident64 Ų6442.7 Ų42.742%0.41625%0.245SC..Hα-helixtrans-60.9-35.4176.4-25.636.9000112.5T37 R41 K42 E43 L187T37-P39 VanDerWaalsContact O-CD 3.28Å; T37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-R41 VanDerWaalsContact C-N 3.34Å; P39-R41 PolarHBondContact O-N 3.41Å; P39-K42 WeakPolarHBondContact O-CB 3.48Å; P39-K42 PolarHBondContact O-N 3.25Å; P39-E43 PolarHBondContact O-N 2.78Å; P39-L187 HydrophobicContact CG-CB 4.44Å; P39-L187 HydrophobicContact CG-CD1 3.98Å; P39-L187 HydrophobicContact CG-CD2 4.01Å; P39-L187 HydrophobicContact CG-CG 4.36Å
40R73.7Confident83.5Confident69 Ų6941.3 Ų41.326%0.2623%0.233SC..Hα-helixtrans-60.8-41.9177.5-168.8176.2-170.4166.45.4111.9Y4 S38 E43 I44 S191Y4-R40 VanDerWaalsContact CE2-CZ 3.49Å; Y4-R40 VanDerWaalsContact CZ-NE 3.31Å; Y4-R40 PolarHBondContact OH-NE 3.32Å; Y4-R40 VanDerWaalsContact OH-NE 3.07Å; Y4-R40 PolarHBondContact OH-NH1 3.29Å; Y4-R40 VanDerWaalsContact OH-NH1 3.17Å; Y4-R40 PolarHBondContact OH-NH2 2.99Å; S38-R40 PolarHBondContact O-N 2.94Å; R40-E43 PolarHBondContact O-N 3.5Å; R40-I44 HydrophobicContact CG-CD1 3.99Å; R40-I44 VanDerWaalsContact O-CD1 3.26Å; R40-I44 WeakPolarHBondContact O-CD1 3.44Å; R40-I44 WeakPolarHBondContact O-CG1 3.34Å; R40-I44 PolarHBondContact O-N 3.11Å; R40-S191 PolarHBondContact NH1-OG 2.69Å
41R80.3Confident83.6Confident26 Ų2648 Ų4810%0.09826%0.264CS..Hα-helixtrans-67.4-37176.6-65.9-165.4-172.4101.41112.3L34 S36 S38 P39 I44 L45 A102 T104 N189L34-R41 HydrophobicContact CD2-CB 4.13Å; S36-R41 PolarHBondContact OG-NH1 3.48Å; S38-R41 PolarHBondContact O-N 3.21Å; P39-R41 VanDerWaalsContact C-N 3.34Å; P39-R41 PolarHBondContact O-N 3.41Å; R41-I44 PolarHBondContact O-N 3.43Å; R41-L45 PolarHBondContact O-N 3.48Å; R41-A102 PolarHBondContact NH1-O 3.22Å; R41-A102 PolarHBondContact NH2-O 3.42Å; R41-T104 PolarHBondContact NH2-OG1 3.3Å; R41-N189 VanDerWaalsContact CZ-ND2 3.34Å; R41-N189 PolarHBondContact NH1-ND2 2.87Å; R41-N189 PolarHBondContact NH2-ND2 2.85Å; R41-N189 PolarHBondContact NH2-OD1 2.73Å
42K84.2Confident83.5Confident84 Ų8447.8 Ų47.837%0.36526%0.26SS..Hα-helixtrans-61.5-46.8173.4-64.3176.8-179.9-171.80110.8L34 S38 P39 I44 L45 G46 F52 S54L34-K42 HydrophobicContact CD2-CG 3.74Å; S38-K42 PolarHBondContact O-N 2.89Å; P39-K42 WeakPolarHBondContact O-CB 3.48Å; P39-K42 PolarHBondContact O-N 3.25Å; K42-I44 PolarHBondContact O-N 2.9Å; K42-L45 PolarHBondContact O-N 3.48Å; K42-G46 PolarHBondContact O-N 3.23Å; K42-F52 HydrophobicContact CB-CE2 4.35Å; K42-F52 HydrophobicContact CB-CZ 4.19Å; K42-F52 HydrophobicContact CG-CE2 4.24Å; K42-F52 WeakPolarHBondContact O-CZ 3.27Å; K42-S54 WeakPolarHBondContact CE-OG 3.4Å
43E80.9Confident83.7Confident120 Ų12049.3 Ų49.356%0.56127%0.273SS*.Hα-helixtrans-59.7-46.5176.9-167.8-160.6148.200111.4P39 R40 L45 G46 N47P39-E43 PolarHBondContact O-N 2.78Å; R40-E43 PolarHBondContact O-N 3.5Å; E43-L45 PolarHBondContact O-N 2.87Å; E43-G46 PolarHBondContact O-N 3.41Å; E43-N47 WeakPolarHBondContact O-CB 2.99Å; E43-N47 PolarHBondContact O-N 2.92Å; E43-N47 PolarHBondContact O-ND2 3.06Å; E43-N47 PolarHBondContact O-OD1 2.62Å
44I76.1Confident83.7Confident24 Ų2451.1 Ų51.112%0.12329%0.286CS..Hα-helixtrans-59.5-47.7179.6-72157.6000112.1Y4 M8 R40 R41 K42 G46 N47Y4-I44 HydrophobicContact CD1-CD1 3.21Å; Y4-I44 HydrophobicContact CD1-CG1 4.03Å; Y4-I44 HydrophobicContact CE1-CD1 3.34Å; Y4-I44 HydrophobicContact CG-CD1 4.2Å; M8-I44 HydrophobicContact CE-CG2 4.3Å; M8-I44 HydrophobicContact CG-CG2 3.32Å; M8-I44 HydrophobicContact SD-CG2 3.73Å; R40-I44 HydrophobicContact CG-CD1 3.99Å; R40-I44 VanDerWaalsContact O-CD1 3.26Å; R40-I44 WeakPolarHBondContact O-CD1 3.44Å; R40-I44 WeakPolarHBondContact O-CG1 3.34Å; R40-I44 PolarHBondContact O-N 3.11Å; R41-I44 PolarHBondContact O-N 3.43Å; K42-I44 PolarHBondContact O-N 2.9Å; I44-G46 VanDerWaalsContact C-N 3.35Å; I44-N47 PolarHBondContact O-N 3.02Å
45L78.6Confident83.8Confident6 Ų653.4 Ų53.43%0.03130%0.298CS..Hα-helixtrans-69.8-33.8177.6-68.7-175.4000112I11 L34 R41 K42 E43 I48 L50 F52 I100I11-L45 HydrophobicContact CG2-CD2 4.13Å; L34-L45 HydrophobicContact CB-CD1 4.26Å; L34-L45 HydrophobicContact CD1-CD1 3.82Å; L34-L45 HydrophobicContact CD2-CD1 4.15Å; L34-L45 HydrophobicContact CG-CD1 4.28Å; R41-L45 PolarHBondContact O-N 3.48Å; K42-L45 PolarHBondContact O-N 3.48Å; E43-L45 PolarHBondContact O-N 2.87Å; L45-I48 HydrophobicContact CD2-CD1 4.17Å; L45-I48 WeakPolarHBondContact O-CG1 3.27Å; L45-I48 PolarHBondContact O-N 3.03Å; L45-L50 HydrophobicContact CD1-CD2 4.49Å; L45-L50 HydrophobicContact CD2-CD2 4.14Å; L45-L50 WeakPolarHBondContact O-CB 3.39Å; L45-L50 PolarHBondContact O-N 2.9Å; L45-F52 HydrophobicContact CB-CD1 3.88Å; L45-F52 HydrophobicContact CB-CE1 3.42Å; L45-F52 VanDerWaalsContact CB-CE1 3.42Å; L45-F52 HydrophobicContact CB-CZ 3.84Å; L45-I100 HydrophobicContact CD1-CD1 3.87Å
46G82.9Confident83.7Confident36 Ų3657.2 Ų57.237%0.37132%0.323SS..Hα-helixtrans-65.9-40.5174.700000112.4K42 E43 I44 I48 G49K42-G46 PolarHBondContact O-N 3.23Å; E43-G46 PolarHBondContact O-N 3.41Å; I44-G46 VanDerWaalsContact C-N 3.35Å; G46-I48 PolarHBondContact O-N 3.29Å; G46-G49 PolarHBondContact O-N 3.29Å
47N78Confident83.6Confident115 Ų11557.7 Ų57.762%0.61533%0.327SS*.Hα-helixtrans-65.9-21.3-179.1-72.5-13.6000113.4E43 I44 G49E43-N47 WeakPolarHBondContact O-CB 2.99Å; E43-N47 PolarHBondContact O-N 2.92Å; E43-N47 PolarHBondContact O-ND2 3.06Å; E43-N47 PolarHBondContact O-OD1 2.62Å; I44-N47 PolarHBondContact O-N 3.02Å; N47-G49 VanDerWaalsContact C-N 3.33Å
48I75.8Confident83.7Confident51 Ų5162.8 Ų62.826%0.26235%0.352SS..THydrogen-bonded Turntrans-88.82.917263.8168.5000113.3M8 L45 G46 L50M8-I48 HydrophobicContact CE-CG2 3.26Å; L45-I48 HydrophobicContact CD2-CD1 4.17Å; L45-I48 WeakPolarHBondContact O-CG1 3.27Å; L45-I48 PolarHBondContact O-N 3.03Å; G46-I48 PolarHBondContact O-N 3.29Å; I48-L50 HydrophobicContact CD1-CB 4.27Å; I48-L50 HydrophobicContact CG1-CB 4.08Å
49G78.9Confident83.9Confident58 Ų5864.6 Ų64.660%0.59836%0.362SS*.THydrogen-bonded Turntrans78.815179.800000114.6G46 N47G46-G49 PolarHBondContact O-N 3.29Å; N47-G49 VanDerWaalsContact C-N 3.33Å
50L80.4Confident84Confident31 Ų3169.1 Ų69.116%0.16238%0.378CS..  trans-73.7129.1178.2-157.666.4000109.9F15 I32 L45 I48 F52 I100F15-L50 HydrophobicContact CD1-CD1 4.32Å; F15-L50 HydrophobicContact CE1-CD1 4.32Å; F15-L50 HydrophobicContact CE1-CD2 4.42Å; F15-L50 HydrophobicContact CE2-CD2 3.96Å; F15-L50 HydrophobicContact CZ-CD2 3.94Å; I32-L50 HydrophobicContact CD1-CD1 3.44Å; I32-L50 VanDerWaalsContact CD1-CD1 3.44Å; I32-L50 HydrophobicContact CD1-CD2 4.15Å; I32-L50 HydrophobicContact CD1-CG 3.76Å; I32-L50 HydrophobicContact CG2-CD2 3.97Å; I32-L50 HydrophobicContact CG2-CG 4.45Å; L45-L50 HydrophobicContact CD1-CD2 4.49Å; L45-L50 HydrophobicContact CD2-CD2 4.14Å; L45-L50 WeakPolarHBondContact O-CB 3.39Å; L45-L50 PolarHBondContact O-N 2.9Å; I48-L50 HydrophobicContact CD1-CB 4.27Å; I48-L50 HydrophobicContact CG1-CB 4.08Å; L50-F52 HydrophobicContact CB-CD1 4.23Å; L50-F52 VanDerWaalsContact O-CD1 3.27Å; L50-F52 WeakPolarHBondContact O-CD1 3.28Å; L50-I100 HydrophobicContact CD2-CD1 4.22Å
51Q86.6Confident84.1Confident170 Ų17069.8 Ų69.879%0.79438%0.384SS*.  trans-87.6118.9168.4-64.4-64-27.800108.2
52F89.8Confident83.8Confident52 Ų5272.6 Ų72.623%0.22841%0.408CS..  trans-147.4153.5-178.363.7-84.5000111I32 L34 K42 L45 L50I32-F52 HydrophobicContact CB-CB 3.99Å; I32-F52 HydrophobicContact CG2-CB 3.78Å; I32-F52 CarbonylContact O-C 3.57Å; I32-F52 WeakPolarHBondContact O-CA 3.44Å; I32-F52 WeakPolarHBondContact O-CB 3.4Å; L34-F52 HydrophobicContact CB-CD2 3.75Å; L34-F52 HydrophobicContact CB-CE2 4.11Å; L34-F52 HydrophobicContact CD2-CD2 4.41Å; L34-F52 HydrophobicContact CD2-CE2 3.9Å; K42-F52 HydrophobicContact CB-CE2 4.35Å; K42-F52 HydrophobicContact CB-CZ 4.19Å; K42-F52 HydrophobicContact CG-CE2 4.24Å; K42-F52 WeakPolarHBondContact O-CZ 3.27Å; L45-F52 HydrophobicContact CB-CD1 3.88Å; L45-F52 HydrophobicContact CB-CE1 3.42Å; L45-F52 VanDerWaalsContact CB-CE1 3.42Å; L45-F52 HydrophobicContact CB-CZ 3.84Å; L50-F52 HydrophobicContact CB-CD1 4.23Å; L50-F52 VanDerWaalsContact O-CD1 3.27Å; L50-F52 WeakPolarHBondContact O-CD1 3.28Å
53S93.9Very high83.7Confident59 Ų5971 Ų7141%0.41340%0.403SS..EExtended strand (participates in β ladder)trans-96.4160.7163.268.20000109.7I32 I33 L34I32-S53 PolarHBondContact O-N 3.35Å; I33-S53 CarbonylContact C-O 3.53Å; I33-S53 WeakPolarHBondContact CA-O 3.02Å; L34-S53 PolarHBondContact N-O 2.83Å
54S94Very high83.9Confident42 Ų4268.5 Ų68.529%0.29440%0.397SS..EExtended strand (participates in β ladder)trans-125.3129.2178.4172.10000110L34 S36 K42L34-S54 VanDerWaalsContact O-CA 3.3Å; L34-S54 WeakPolarHBondContact O-CA 3.35Å; L34-S54 PolarHBondContact O-OG 3.27Å; S36-S54 PolarHBondContact O-OG 3.09Å; K42-S54 WeakPolarHBondContact CE-OG 3.4Å
55I94.9Very high84.3Confident50 Ų5069.9 Ų69.926%0.25641%0.409SS..EExtended strand (participates in β ladder)trans-119.1136.7178.1-60.3-179.8000107.7I33 L34 A35 S36 P57 V86 L90I33-I55 HydrophobicContact CD1-CD1 4.12Å; I33-I55 HydrophobicContact CG2-CB 4.17Å; I33-I55 HydrophobicContact CG2-CD1 3.8Å; I33-I55 HydrophobicContact CG2-CG1 3.86Å; L34-I55 PolarHBondContact O-N 3.08Å; A35-I55 WeakPolarHBondContact CA-O 3.28Å; S36-I55 PolarHBondContact N-O 3.27Å; I55-P57 WeakPolarHBondContact O-CD 3.19Å; I55-V86 HydrophobicContact CB-CG1 3.91Å; I55-V86 HydrophobicContact CB-CG2 4.14Å; I55-V86 HydrophobicContact CD1-CG1 4.03Å; I55-V86 HydrophobicContact CG1-CG1 4.48Å; I55-V86 HydrophobicContact CG2-CG1 4.03Å; I55-V86 HydrophobicContact CG2-CG2 3.92Å; I55-L90 HydrophobicContact CD1-CD2 3.75Å
56C93Very high84.7Confident79 Ų7978.3 Ų78.353%0.53445%0.448SS..  trans-69.8121.6173.2-175.70000108.7T37 D58T37-C56 HydrophobicContact CG2-CB 3.69Å; T37-C56 WeakPolarHBondContact CG2-SG 3.26Å; C56-D58 PolarHBondContact O-N 2.5Å; C56-D58 VanDerWaalsContact O-N 3.13Å
57P86.9Confident85.1Confident13 Ų1382.5 Ų82.58%0.08446%0.462CS..  trans-70.4108.5169.329.8-31.4000107.9I55 V59 K82 V86I55-P57 WeakPolarHBondContact O-CD 3.19Å; P57-V59 VanDerWaalsContact C-N 3.35Å; P57-V59 HydrophobicContact CB-CG1 4.31Å; P57-V59 PolarHBondContact O-N 2.93Å; P57-K82 HydrophobicContact CB-CB 3.74Å; P57-K82 HydrophobicContact CB-CG 3.98Å; P57-K82 HydrophobicContact CG-CB 4Å; P57-K82 HydrophobicContact CG-CD 4.16Å; P57-K82 HydrophobicContact CG-CG 3.94Å; P57-V86 HydrophobicContact CB-CG2 4.07Å
58D87.1Confident85.7Confident159 Ų15979.7 Ų79.785%0.8545%0.445SS*.  trans-8778.5175.8-168.114.7000109.1C56C56-D58 PolarHBondContact O-N 2.5Å; C56-D58 VanDerWaalsContact O-N 3.13Å
59V86.7Confident86.4Confident48 Ų4886.9 Ų86.929%0.29148%0.477SS..SBendtrans-146.4142.4-17866.60000110.9P57 E61 K82 A85P57-V59 VanDerWaalsContact C-N 3.35Å; P57-V59 HydrophobicContact CB-CG1 4.31Å; P57-V59 PolarHBondContact O-N 2.93Å; V59-E61 PolarHBondContact O-N 3.28Å; V59-K82 HydrophobicContact CG1-CG 4.31Å; V59-A85 HydrophobicContact CB-CB 3.74Å; V59-A85 HydrophobicContact CG1-CB 3.93Å; V59-A85 HydrophobicContact CG2-CB 4.43Å
60E80.9Confident87.1Confident160 Ų16086.8 Ų86.875%0.74847%0.467SS*.  trans-70.7118.6171.2-170.8176.3-179.700109.9S62E60-S62 PolarHBondContact O-N 2.78Å
61E76.3Confident87.6Confident82 Ų8287.3 Ų87.338%0.38347%0.47SS..  trans-83.111.9-176.4-55.3-178.5-166.500112.9V59 L63 I78 K82V59-E61 PolarHBondContact O-N 3.28Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.22Å; E61-I78 HydrophobicContact CB-CG2 4.41Å; E61-K82 WeakPolarHBondContact OE1-CE 3.41Å; E61-K82 IonicContact OE1-NZ 3.87Å; E61-K82 PolarHBondContact OE1-NZ 2.78Å; E61-K82 VanDerWaalsContact OE2-CE 3.23Å; E61-K82 WeakPolarHBondContact OE2-CE 3.47Å; E61-K82 IonicContact OE2-NZ 3.52Å; E61-K82 PolarHBondContact OE2-NZ 2.86Å
62S74.3Confident87.8Confident86 Ų8680.4 Ų80.460%0.60144%0.44SS*.  trans-81.975-174.6-175.40000111.8E60E60-S62 PolarHBondContact O-N 2.78Å
63L81.6Confident88Confident51 Ų5179.5 Ų79.527%0.26744%0.441SS..  trans-93.2122.8164.2-71.9178.9000109.5E61 S65 F68 H74 A77 I78 L81E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.22Å; L63-S65 PolarHBondContact O-N 2.89Å; L63-F68 HydrophobicContact CB-CE2 3.99Å; L63-F68 HydrophobicContact CB-CZ 4.3Å; L63-F68 HydrophobicContact CD1-CE2 4.38Å; L63-F68 HydrophobicContact CD1-CZ 3.87Å; L63-F68 HydrophobicContact CG-CZ 4.48Å; L63-H74 PolarHBondContact O-CE1 3.1Å; L63-H74 PolarHBondContact O-NE2 3.33Å; L63-A77 HydrophobicContact CD1-CB 3.89Å; L63-I78 HydrophobicContact CB-CG1 4.33Å; L63-I78 HydrophobicContact CD1-CG1 3.93Å; L63-I78 HydrophobicContact CG-CG1 4.5Å; L63-L81 HydrophobicContact CD1-CD1 3.31Å; L63-L81 HydrophobicContact CD1-CG 4.04Å; L63-L81 HydrophobicContact CD2-CD1 3.87Å; L63-L81 HydrophobicContact CG-CD1 3.5Å; L63-L81 VanDerWaalsContact CG-CD1 3.5Å
64P84.3Confident88Confident67 Ų6777.2 Ų77.244%0.43542%0.424SS..  trans-65.6123.1174.1-22.333.5000110.6E66 N67 F68P64-E66 PolarHBondContact O-N 3.36Å; P64-E66 VanDerWaalsContact O-N 3.16Å; P64-N67 WeakPolarHBondContact O-CB 3.41Å; P64-N67 PolarHBondContact O-N 3.37Å; P64-N67 VanDerWaalsContact O-N 3.12Å; P64-F68 WeakPolarHBondContact O-CD2 3.34Å; P64-F68 WeakPolarHBondContact O-CE2 3.4Å
65S84.6Confident87.7Confident53 Ų5375.2 Ų75.237%0.37141%0.41SS..G310 helixtrans-60.3-28-177.953.30000113.6L63 N67 F68 H74L63-S65 PolarHBondContact O-N 2.89Å; S65-N67 PolarHBondContact O-N 2.95Å; S65-F68 PolarHBondContact O-N 3.18Å; S65-H74 WeakPolarHBondContact CB-ND1 3.28Å
66E87.8Confident87.6Confident182 Ų18274.6 Ų74.685%0.8541%0.406SS*.G310 helixtrans-63.3-21.5179-63.4168.9-148.900113.2P64 F68P64-E66 PolarHBondContact O-N 3.36Å; P64-E66 VanDerWaalsContact O-N 3.16Å; E66-F68 PolarHBondContact O-N 3.41Å
67N90.5Very high87.7Confident125 Ų12571.8 Ų71.867%0.66839%0.389SS*.G310 helixtrans-78.8-3.2178.8-67.7-15.9000113.3P64 S65P64-N67 WeakPolarHBondContact O-CB 3.41Å; P64-N67 PolarHBondContact O-N 3.37Å; P64-N67 VanDerWaalsContact O-N 3.12Å; S65-N67 PolarHBondContact O-N 2.95Å
68F91.5Very high88Confident56 Ų5671.6 Ų71.625%0.24639%0.387CS..SBendtrans-114.7144.1-175.1-62.8-88.8000111.2L63 P64 S65 E66 S70 A73 H74 A77L63-F68 HydrophobicContact CB-CE2 3.99Å; L63-F68 HydrophobicContact CB-CZ 4.3Å; L63-F68 HydrophobicContact CD1-CE2 4.38Å; L63-F68 HydrophobicContact CD1-CZ 3.87Å; L63-F68 HydrophobicContact CG-CZ 4.48Å; P64-F68 WeakPolarHBondContact O-CD2 3.34Å; P64-F68 WeakPolarHBondContact O-CE2 3.4Å; S65-F68 PolarHBondContact O-N 3.18Å; E66-F68 PolarHBondContact O-N 3.41Å; F68-S70 PolarHBondContact O-N 3.07Å; F68-S70 VanDerWaalsContact O-N 3.17Å; F68-A73 HydrophobicContact CB-CB 4.49Å; F68-H74 HydrophobicContact CB-CB 3.86Å; F68-H74 HydrophobicContact CD1-CB 4.4Å; F68-H74 HydrophobicContact CD2-CB 3.8Å; F68-H74 AromaticContact CD2-CD2 3.46Å; F68-H74 VanDerWaalsContact CD2-CD2 3.46Å; F68-H74 WeakPolarHBondContact CD2-CD2 3.06Å; F68-H74 AromaticContact CD2-CG 3.79Å; F68-H74 AromaticContact CE2-CD2 3.43Å; F68-H74 VanDerWaalsContact CE2-CD2 3.43Å; F68-H74 WeakPolarHBondContact CE2-CD2 3.22Å; F68-H74 HydrophobicContact CG-CB 3.74Å; F68-A77 HydrophobicContact CD1-CB 4.2Å; F68-A77 HydrophobicContact CE1-CB 3.29Å; F68-A77 HydrophobicContact CZ-CB 3.66Å
69Q90.5Very high88.1Confident202 Ų20264 Ų6494%0.94435%0.347SS*.SBendtrans-63.2-22178.8-66.2179.3-19.500113.2
70S92.6Very high88.6Confident56 Ų5664.5 Ų64.539%0.39235%0.345SS..SBendtrans-160.2160.4-179.969.60000111.3F68 A73 H74F68-S70 PolarHBondContact O-N 3.07Å; F68-S70 VanDerWaalsContact O-N 3.17Å; S70-A73 PolarHBondContact O-N 2.79Å; S70-A73 PolarHBondContact OG-N 3.36Å; S70-H74 PolarHBondContact O-N 3.42Å; S70-H74 VanDerWaalsContact O-N 3.07Å
71I91.4Very high89.3Confident41 Ų4159.4 Ų59.421%0.2132%0.322CS..Hα-helixtrans-59.9-42.3175.1-59178.5000112.3A73 H74 I75 M105 C107 I112 I137I71-A73 PolarHBondContact O-N 2.88Å; I71-H74 WeakPolarHBondContact O-CB 3.23Å; I71-H74 PolarHBondContact O-N 3.48Å; I71-I75 PolarHBondContact O-N 3.23Å; I71-M105 HydrophobicContact CG2-CG 4.42Å; I71-M105 HydrophobicContact CG2-SD 3.26Å; I71-M105 WeakPolarHBondContact CG2-SD 3.43Å; I71-C107 HydrophobicContact CD1-CB 4.31Å; I71-I112 HydrophobicContact CD1-CD1 4.4Å; I71-I112 HydrophobicContact CD1-CG1 3.99Å; I71-I112 HydrophobicContact CG1-CD1 4.2Å; I71-I112 HydrophobicContact CG1-CG1 4.34Å; I71-I112 HydrophobicContact CG2-CD1 4.15Å; I71-I112 HydrophobicContact CG2-CG1 4.29Å; I71-I137 HydrophobicContact CB-CD1 4.34Å; I71-I137 HydrophobicContact CG2-CD1 3.77Å
72P91.8Very high90.1Very high26 Ų2655.7 Ų55.717%0.16931%0.305CS..Hα-helixtrans-57.2-42.9172-30.237.8000114.7H74 I75 E76 V159P72-H74 VanDerWaalsContact C-N 3.27Å; P72-H74 PolarHBondContact O-N 3.17Å; P72-I75 WeakPolarHBondContact O-CG2 3.38Å; P72-I75 PolarHBondContact O-N 3.4Å; P72-E76 WeakPolarHBondContact O-CG 3.45Å; P72-E76 PolarHBondContact O-N 3.45Å; P72-V159 HydrophobicContact CG-CG2 4.45Å
73A93.7Very high91.1Very high32 Ų3251.6 Ų51.626%0.26428%0.276SS..Hα-helixtrans-64-35.7176.600000111.7F68 S70 I71 A77F68-A73 HydrophobicContact CB-CB 4.49Å; S70-A73 PolarHBondContact O-N 2.79Å; S70-A73 PolarHBondContact OG-N 3.36Å; I71-A73 PolarHBondContact O-N 2.88Å; A73-A77 WeakPolarHBondContact O-CB 3.39Å; A73-A77 PolarHBondContact O-N 3.21Å; A73-A77 VanDerWaalsContact O-N 3.11Å
74H93.4Very high91.7Very high11 Ų1150.8 Ų50.85%0.05127%0.272CS..Hα-helixtrans-63.5-49.6175.3179.6-147.9000112.3L63 S65 F68 S70 I71 P72 E76 A77 I78L63-H74 PolarHBondContact O-CE1 3.1Å; L63-H74 PolarHBondContact O-NE2 3.33Å; S65-H74 WeakPolarHBondContact CB-ND1 3.28Å; F68-H74 HydrophobicContact CB-CB 3.86Å; F68-H74 HydrophobicContact CD1-CB 4.4Å; F68-H74 HydrophobicContact CD2-CB 3.8Å; F68-H74 AromaticContact CD2-CD2 3.46Å; F68-H74 VanDerWaalsContact CD2-CD2 3.46Å; F68-H74 WeakPolarHBondContact CD2-CD2 3.06Å; F68-H74 AromaticContact CD2-CG 3.79Å; F68-H74 AromaticContact CE2-CD2 3.43Å; F68-H74 VanDerWaalsContact CE2-CD2 3.43Å; F68-H74 WeakPolarHBondContact CE2-CD2 3.22Å; F68-H74 HydrophobicContact CG-CB 3.74Å; S70-H74 PolarHBondContact O-N 3.42Å; S70-H74 VanDerWaalsContact O-N 3.07Å; I71-H74 WeakPolarHBondContact O-CB 3.23Å; I71-H74 PolarHBondContact O-N 3.48Å; P72-H74 VanDerWaalsContact C-N 3.27Å; P72-H74 PolarHBondContact O-N 3.17Å; H74-E76 VanDerWaalsContact C-N 3.34Å; H74-E76 PolarHBondContact O-N 2.81Å; H74-A77 WeakPolarHBondContact O-CB 3.37Å; H74-A77 PolarHBondContact O-N 2.92Å; H74-I78 WeakPolarHBondContact NE2-CD1 3.34Å; H74-I78 PolarHBondContact O-N 2.76Å; H74-I78 VanDerWaalsContact O-N 3.08Å
75I88.7Confident92.3Very high0 Ų048.5 Ų48.50%026%0.259CS..Hα-helixtrans-67.6-33.9-179.3-164.872000112.5I71 P72 A77 I78 A79 D103 M105 I137I71-I75 PolarHBondContact O-N 3.23Å; P72-I75 WeakPolarHBondContact O-CG2 3.38Å; P72-I75 PolarHBondContact O-N 3.4Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-I78 HydrophobicContact CD1-CD1 4.48Å; I75-I78 PolarHBondContact O-N 3.21Å; I75-A79 WeakPolarHBondContact O-CB 3.4Å; I75-A79 PolarHBondContact O-N 3.17Å; I75-D103 HydrophobicContact CD1-CB 3.6Å; I75-D103 WeakPolarHBondContact CD1-OD2 3.36Å; I75-D103 HydrophobicContact CG1-CB 4.14Å; I75-D103 WeakPolarHBondContact CG1-O 3.37Å; I75-M105 HydrophobicContact CB-CE 3.81Å; I75-M105 HydrophobicContact CB-CG 4.48Å; I75-M105 HydrophobicContact CB-SD 4.33Å; I75-M105 HydrophobicContact CD1-CB 4.14Å; I75-M105 HydrophobicContact CD1-CE 3.36Å; I75-M105 HydrophobicContact CD1-CG 3.88Å; I75-M105 HydrophobicContact CD1-SD 4.29Å; I75-M105 HydrophobicContact CG1-CE 4.14Å; I75-M105 HydrophobicContact CG1-CG 4.36Å; I75-I137 HydrophobicContact CG2-CG2 3.82Å
76E92.8Very high92.8Very high37 Ų3746 Ų4617%0.17324%0.241CC..Hα-helixtrans-62.2-42.5172.7-75.8-179.8-179.300111.4P72 H74 I78 A79 K80 F156 H157P72-E76 WeakPolarHBondContact O-CG 3.45Å; P72-E76 PolarHBondContact O-N 3.45Å; H74-E76 VanDerWaalsContact C-N 3.34Å; H74-E76 PolarHBondContact O-N 2.81Å; E76-I78 PolarHBondContact O-N 3.31Å; E76-A79 PolarHBondContact O-N 3.4Å; E76-K80 WeakPolarHBondContact O-CB 3.21Å; E76-K80 PolarHBondContact O-N 3.03Å; E76-F156 WeakPolarHBondContact OE1-CA 3.23Å; E76-H157 HydrophobicContact CG-CB 4.18Å; E76-H157 IonicContact OE1-CE1 3.04Å; E76-H157 IonicContact OE1-CG 3.69Å; E76-H157 PolarHBondContact OE1-N 2.98Å; E76-H157 IonicContact OE1-ND1 2.95Å; E76-H157 PolarHBondContact OE1-ND1 2.81Å
77A94.9Very high93.2Very high20 Ų2038.1 Ų38.117%0.16521%0.206CC..Hα-helixtrans-63.4-41.2176.700000112.3L63 F68 A73 H74 I75 K80 L81L63-A77 HydrophobicContact CD1-CB 3.89Å; F68-A77 HydrophobicContact CD1-CB 4.2Å; F68-A77 HydrophobicContact CE1-CB 3.29Å; F68-A77 HydrophobicContact CZ-CB 3.66Å; A73-A77 WeakPolarHBondContact O-CB 3.39Å; A73-A77 PolarHBondContact O-N 3.21Å; A73-A77 VanDerWaalsContact O-N 3.11Å; H74-A77 WeakPolarHBondContact O-CB 3.37Å; H74-A77 PolarHBondContact O-N 2.92Å; I75-A77 VanDerWaalsContact C-N 3.34Å; A77-K80 WeakPolarHBondContact O-CB 3.35Å; A77-K80 PolarHBondContact O-N 2.85Å; A77-L81 WeakPolarHBondContact O-CG 3.46Å; A77-L81 PolarHBondContact O-N 3.27Å
78I92.3Very high93.3Very high10 Ų1038.7 Ų38.75%0.05121%0.209CC..Hα-helixtrans-62.2-46.3173.6-64.2170000110.6E61 L63 H74 I75 E76 K80 L81 K82 D103 M105E61-I78 HydrophobicContact CB-CG2 4.41Å; L63-I78 HydrophobicContact CB-CG1 4.33Å; L63-I78 HydrophobicContact CD1-CG1 3.93Å; L63-I78 HydrophobicContact CG-CG1 4.5Å; H74-I78 WeakPolarHBondContact NE2-CD1 3.34Å; H74-I78 PolarHBondContact O-N 2.76Å; H74-I78 VanDerWaalsContact O-N 3.08Å; I75-I78 HydrophobicContact CD1-CD1 4.48Å; I75-I78 PolarHBondContact O-N 3.21Å; E76-I78 PolarHBondContact O-N 3.31Å; I78-K80 VanDerWaalsContact C-N 3.26Å; I78-K80 PolarHBondContact O-N 3.33Å; I78-L81 WeakPolarHBondContact O-CB 3.43Å; I78-L81 PolarHBondContact O-N 3.43Å; I78-K82 PolarHBondContact O-N 3.2Å; I78-K82 VanDerWaalsContact O-N 3.17Å; I78-D103 HydrophobicContact CB-CB 4.31Å; I78-D103 HydrophobicContact CG2-CB 3.76Å; I78-M105 HydrophobicContact CD1-CE 4.21Å
79A90.6Very high93.4Very high0 Ų040.8 Ų40.80%023%0.226CC..Hα-helixtrans-59.6-39.717700000111.6I75 E76 K82 V83 C141I75-A79 WeakPolarHBondContact O-CB 3.4Å; I75-A79 PolarHBondContact O-N 3.17Å; E76-A79 PolarHBondContact O-N 3.4Å; A79-K82 PolarHBondContact O-N 2.82Å; A79-V83 WeakPolarHBondContact O-CG2 3.36Å; A79-V83 PolarHBondContact O-N 3.26Å; A79-C141 HydrophobicContact CB-CB 4.19Å
80K95.4Very high93.6Very high58 Ų5832.5 Ų32.525%0.25219%0.188SC..Hα-helixtrans-64.7-43.3175.3-169.2-162.5-178.8-53.30112.4E76 A77 I78 K82 V83 D84 C141E76-K80 WeakPolarHBondContact O-CB 3.21Å; E76-K80 PolarHBondContact O-N 3.03Å; A77-K80 WeakPolarHBondContact O-CB 3.35Å; A77-K80 PolarHBondContact O-N 2.85Å; I78-K80 VanDerWaalsContact C-N 3.26Å; I78-K80 PolarHBondContact O-N 3.33Å; K80-K82 VanDerWaalsContact C-N 3.27Å; K80-K82 PolarHBondContact O-N 2.7Å; K80-V83 WeakPolarHBondContact O-CB 3.46Å; K80-V83 PolarHBondContact O-N 3.22Å; K80-V83 VanDerWaalsContact O-N 3.14Å; K80-D84 IonicContact NZ-OD1 3.03Å; K80-D84 PolarHBondContact NZ-OD1 2.92Å; K80-D84 IonicContact NZ-OD2 2.58Å; K80-D84 PolarHBondContact NZ-OD2 2.93Å; K80-D84 VanDerWaalsContact O-CG 3.3Å; K80-D84 PolarHBondContact O-N 3.42Å; K80-C141 HydrophobicContact CB-CB 4.23Å
81L95.3Very high93.5Very high53 Ų5333.8 Ų33.828%0.27719%0.191SC..Hα-helixtrans-56.4-42.9175.7-76.4-177.4000111.7L63 A77 I78 V83 D84 A85L63-L81 HydrophobicContact CD1-CD1 3.31Å; L63-L81 HydrophobicContact CD1-CG 4.04Å; L63-L81 HydrophobicContact CD2-CD1 3.87Å; L63-L81 HydrophobicContact CG-CD1 3.5Å; L63-L81 VanDerWaalsContact CG-CD1 3.5Å; A77-L81 WeakPolarHBondContact O-CG 3.46Å; A77-L81 PolarHBondContact O-N 3.27Å; I78-L81 WeakPolarHBondContact O-CB 3.43Å; I78-L81 PolarHBondContact O-N 3.43Å; L81-V83 PolarHBondContact O-N 3.06Å; L81-D84 PolarHBondContact O-N 3.18Å; L81-A85 WeakPolarHBondContact O-CB 3.39Å; L81-A85 PolarHBondContact O-N 3.06Å
82K93.8Very high93.4Very high4 Ų434.6 Ų34.62%0.01720%0.195CC..Hα-helixtrans-61.8-43.3176.6-66.4179.7-173.5-166.70112.1P57 V59 E61 I78 A79 K80 V86 D103P57-K82 HydrophobicContact CB-CB 3.74Å; P57-K82 HydrophobicContact CB-CG 3.98Å; P57-K82 HydrophobicContact CG-CB 4Å; P57-K82 HydrophobicContact CG-CD 4.16Å; P57-K82 HydrophobicContact CG-CG 3.94Å; V59-K82 HydrophobicContact CG1-CG 4.31Å; E61-K82 WeakPolarHBondContact OE1-CE 3.41Å; E61-K82 IonicContact OE1-NZ 3.87Å; E61-K82 PolarHBondContact OE1-NZ 2.78Å; E61-K82 VanDerWaalsContact OE2-CE 3.23Å; E61-K82 WeakPolarHBondContact OE2-CE 3.47Å; E61-K82 IonicContact OE2-NZ 3.52Å; E61-K82 PolarHBondContact OE2-NZ 2.86Å; I78-K82 PolarHBondContact O-N 3.2Å; I78-K82 VanDerWaalsContact O-N 3.17Å; A79-K82 PolarHBondContact O-N 2.82Å; K80-K82 VanDerWaalsContact C-N 3.27Å; K80-K82 PolarHBondContact O-N 2.7Å; K82-V86 PolarHBondContact O-N 3.01Å; K82-D103 IonicContact NZ-OD1 2.9Å; K82-D103 PolarHBondContact NZ-OD1 3.24Å
83V95.1Very high93.1Very high0 Ų037.4 Ų37.40%022%0.215CC..Hα-helixtrans-62.6-49.5175.7171.50000110.9A79 K80 L81 A85 V86 V87 V99 G101 C141 K143A79-V83 WeakPolarHBondContact O-CG2 3.36Å; A79-V83 PolarHBondContact O-N 3.26Å; K80-V83 WeakPolarHBondContact O-CB 3.46Å; K80-V83 PolarHBondContact O-N 3.22Å; K80-V83 VanDerWaalsContact O-N 3.14Å; L81-V83 PolarHBondContact O-N 3.06Å; V83-A85 VanDerWaalsContact C-N 3.31Å; V83-A85 PolarHBondContact O-N 3.15Å; V83-V86 PolarHBondContact O-N 3.34Å; V83-V87 HydrophobicContact CG1-CG2 4.02Å; V83-V87 WeakPolarHBondContact O-CB 2.98Å; V83-V87 WeakPolarHBondContact O-CG2 3.27Å; V83-V87 PolarHBondContact O-N 2.78Å; V83-V99 HydrophobicContact CB-CG1 4.45Å; V83-V99 HydrophobicContact CG1-CB 4.01Å; V83-V99 HydrophobicContact CG1-CG1 3.95Å; V83-V99 HydrophobicContact CG2-CG1 4.46Å; V83-G101 VanDerWaalsContact CG2-CA 3.47Å; V83-C141 HydrophobicContact CB-CB 4.42Å; V83-C141 HydrophobicContact CG2-CB 3.76Å; V83-C141 WeakPolarHBondContact CG2-O 3.17Å; V83-K143 HydrophobicContact CG1-CB 3.49Å; V83-K143 VanDerWaalsContact CG1-CB 3.49Å
84D95.7Very high92.4Very high33 Ų3343.3 Ų43.318%0.17624%0.237CC..Hα-helixtrans-59.5-43-179.5-69.2-19000111.4K80 L81 V86 V87 N88 K143K80-D84 IonicContact NZ-OD1 3.03Å; K80-D84 PolarHBondContact NZ-OD1 2.92Å; K80-D84 IonicContact NZ-OD2 2.58Å; K80-D84 PolarHBondContact NZ-OD2 2.93Å; K80-D84 VanDerWaalsContact O-CG 3.3Å; K80-D84 PolarHBondContact O-N 3.42Å; L81-D84 PolarHBondContact O-N 3.18Å; D84-V86 PolarHBondContact O-N 3.3Å; D84-V87 PolarHBondContact O-N 3.01Å; D84-N88 PolarHBondContact O-N 2.79Å; D84-N88 PolarHBondContact O-ND2 2.93Å; D84-K143 VanDerWaalsContact OD1-CE 3.25Å; D84-K143 WeakPolarHBondContact OD1-CE 3.06Å; D84-K143 IonicContact OD1-NZ 2.62Å; D84-K143 PolarHBondContact OD1-NZ 3.04Å
85A95.8Very high92.1Very high19 Ų1949.4 Ų49.416%0.15726%0.26CS..Hα-helixtrans-58.3-47.1177.600000111.9V59 L81 V83V59-A85 HydrophobicContact CB-CB 3.74Å; V59-A85 HydrophobicContact CG1-CB 3.93Å; V59-A85 HydrophobicContact CG2-CB 4.43Å; L81-A85 WeakPolarHBondContact O-CB 3.39Å; L81-A85 PolarHBondContact O-N 3.06Å; V83-A85 VanDerWaalsContact C-N 3.31Å; V83-A85 PolarHBondContact O-N 3.15Å
86V95.8Very high92.2Very high1 Ų150.9 Ų50.91%0.00627%0.268CS..Hα-helixtrans-66.9-44.3176.6170.30000111.2I33 A35 I55 P57 K82 V83 D84 N88 T89 L90 V99I33-V86 HydrophobicContact CG2-CG1 3.8Å; A35-V86 HydrophobicContact CB-CB 3.93Å; A35-V86 HydrophobicContact CB-CG1 4.46Å; A35-V86 HydrophobicContact CB-CG2 3.47Å; A35-V86 VanDerWaalsContact CB-CG2 3.47Å; I55-V86 HydrophobicContact CB-CG1 3.91Å; I55-V86 HydrophobicContact CB-CG2 4.14Å; I55-V86 HydrophobicContact CD1-CG1 4.03Å; I55-V86 HydrophobicContact CG1-CG1 4.48Å; I55-V86 HydrophobicContact CG2-CG1 4.03Å; I55-V86 HydrophobicContact CG2-CG2 3.92Å; P57-V86 HydrophobicContact CB-CG2 4.07Å; K82-V86 PolarHBondContact O-N 3.01Å; V83-V86 PolarHBondContact O-N 3.34Å; D84-V86 PolarHBondContact O-N 3.3Å; V86-N88 PolarHBondContact O-N 2.91Å; V86-T89 WeakPolarHBondContact O-CB 3.42Å; V86-T89 PolarHBondContact O-N 3.31Å; V86-T89 PolarHBondContact O-OG1 2.86Å; V86-L90 WeakPolarHBondContact O-CG 2.99Å; V86-V99 HydrophobicContact CB-CG1 4.1Å; V86-V99 HydrophobicContact CG1-CG1 3.87Å
87V94.8Very high92.2Very high17 Ų1750.1 Ų50.110%0.10326%0.263CS..Hα-helixtrans-57-39.1-180164.90000112.1V83 D84 T89 L90 V99 K143 I145V83-V87 HydrophobicContact CG1-CG2 4.02Å; V83-V87 WeakPolarHBondContact O-CB 2.98Å; V83-V87 WeakPolarHBondContact O-CG2 3.27Å; V83-V87 PolarHBondContact O-N 2.78Å; D84-V87 PolarHBondContact O-N 3.01Å; V87-T89 PolarHBondContact O-N 3.15Å; V87-L90 PolarHBondContact O-N 3.44Å; V87-L90 VanDerWaalsContact O-N 3.13Å; V87-V99 HydrophobicContact CG2-CB 3.83Å; V87-V99 HydrophobicContact CG2-CG1 4.12Å; V87-V99 HydrophobicContact CG2-CG2 3.55Å; V87-K143 HydrophobicContact CG1-CD 4.29Å; V87-K143 HydrophobicContact CG2-CD 4.07Å; V87-I145 HydrophobicContact CB-CD1 4.22Å; V87-I145 HydrophobicContact CG1-CD1 3.49Å; V87-I145 VanDerWaalsContact CG1-CD1 3.49Å; V87-I145 HydrophobicContact CG2-CD1 3.8Å
88N93.9Very high92Very high137 Ų13749.2 Ų49.273%0.73326%0.256SS*.THydrogen-bonded Turntrans-65.8-14.6177.6-68.2-19.4000113.7D84 V86D84-N88 PolarHBondContact O-N 2.79Å; D84-N88 PolarHBondContact O-ND2 2.93Å; V86-N88 PolarHBondContact O-N 2.91Å
89T94.1Very high92.1Very high99 Ų9948.8 Ų48.861%0.60725%0.254SS*.THydrogen-bonded Turntrans-95-9.4176.269.70000113.6V86 V87V86-T89 WeakPolarHBondContact O-CB 3.42Å; V86-T89 PolarHBondContact O-N 3.31Å; V86-T89 PolarHBondContact O-OG1 2.86Å; V87-T89 PolarHBondContact O-N 3.15Å
90L93.3Very high92.1Very high28 Ų2848.9 Ų48.915%0.14725%0.254CS..SBendtrans-87.6141.4-175.3-57.2177.5000111.5I33 I55 V86 V87 I92 Y97 V99I33-L90 HydrophobicContact CD1-CD1 3.65Å; I33-L90 HydrophobicContact CD1-CD2 3.45Å; I33-L90 VanDerWaalsContact CD1-CD2 3.45Å; I33-L90 HydrophobicContact CD1-CG 4.21Å; I55-L90 HydrophobicContact CD1-CD2 3.75Å; V86-L90 WeakPolarHBondContact O-CG 2.99Å; V87-L90 PolarHBondContact O-N 3.44Å; V87-L90 VanDerWaalsContact O-N 3.13Å; L90-I92 HydrophobicContact CB-CG2 4.14Å; L90-I92 PolarHBondContact O-N 3.05Å; L90-I92 VanDerWaalsContact O-N 3.13Å; L90-Y97 HydrophobicContact CB-CE2 4.24Å; L90-Y97 HydrophobicContact CD1-CD1 4.06Å; L90-Y97 HydrophobicContact CD1-CD2 4.16Å; L90-Y97 HydrophobicContact CD1-CE1 4.43Å; L90-Y97 HydrophobicContact CD1-CG 3.88Å; L90-V99 HydrophobicContact CD1-CG2 3.63Å
91D91.6Very high91.9Very high84 Ų8446.1 Ų46.145%0.44924%0.242SC..  trans-76.897161.2-174.8-6.6000109.3S93 Y97D91-S93 VanDerWaalsContact C-N 3.3Å; D91-S93 WeakPolarHBondContact OD1-CB 3.43Å; D91-S93 PolarHBondContact OD1-N 3.06Å; D91-S93 PolarHBondContact OD1-OG 3.42Å; D91-Y97 WeakPolarHBondContact O-CE2 3.04Å; D91-Y97 PolarHBondContact O-OH 3.48Å
92I89Confident91.5Very high58 Ų5844 Ų4430%0.29723%0.232SC..  trans-79.4-10.2-178.764.9172.8000113.5L90 I145 G148L90-I92 HydrophobicContact CB-CG2 4.14Å; L90-I92 PolarHBondContact O-N 3.05Å; L90-I92 VanDerWaalsContact O-N 3.13Å; I92-I145 HydrophobicContact CB-CG2 3.81Å; I92-I145 HydrophobicContact CG2-CD1 4Å; I92-I145 HydrophobicContact CG2-CG2 3.82Å; I92-G148 WeakPolarHBondContact O-CA 2.92Å; I92-G148 PolarHBondContact O-N 2.87Å; I92-G148 VanDerWaalsContact O-N 3.14Å
93S84.5Confident91.1Very high84 Ų8444.4 Ų44.459%0.58724%0.235SC*.SBendtrans-77.5-33.1-171.570.10000113.1D91D91-S93 VanDerWaalsContact C-N 3.3Å; D91-S93 WeakPolarHBondContact OD1-CB 3.43Å; D91-S93 PolarHBondContact OD1-N 3.06Å; D91-S93 PolarHBondContact OD1-OG 3.42Å
94E79.5Confident90.5Very high157 Ų15745.6 Ų45.673%0.73424%0.242SC*.SBendtrans-103.1-14.5-173.4-58.3-167.5161.100114.1
95R87.5Confident89.9Confident138 Ų13844.6 Ų44.652%0.52124%0.236SC..  trans-139.6157.2-171.6-60.5-168.4-174-165.42.6113.4D31 Y97D31-R95 VanDerWaalsContact OD2-CD 3.3Å; D31-R95 WeakPolarHBondContact OD2-CD 3.38Å; D31-R95 IonicContact OD2-CZ 3.52Å; D31-R95 IonicContact OD2-NH1 2.72Å; D31-R95 PolarHBondContact OD2-NH1 2.83Å; R95-Y97 HydrophobicContact CB-CD2 4.48Å; R95-Y97 HydrophobicContact CB-CE1 4.2Å; R95-Y97 HydrophobicContact CB-CE2 3.68Å
96N90.8Very high89.3Confident32 Ų3243.9 Ų43.917%0.17123%0.23CC..EExtended strand (participates in β ladder)trans-98.6137.4173.6-57.6-40.3000109.2I30 D31 I145 V146 S147I30-N96 HydrophobicContact CG1-CB 4.01Å; D31-N96 PolarHBondContact N-O 2.93Å; N96-I145 CarbonylContact C-O 3.59Å; N96-I145 VanDerWaalsContact CA-O 3.26Å; N96-I145 WeakPolarHBondContact CA-O 3.43Å; N96-V146 VanDerWaalsContact OD1-CA 3.28Å; N96-V146 WeakPolarHBondContact OD1-CA 3.44Å; N96-V146 WeakPolarHBondContact OD1-CG1 3.39Å; N96-S147 PolarHBondContact OD1-N 2.93Å
97Y92.2Very high89Confident20 Ų2044 Ų448%0.07823%0.23CC..EExtended strand (participates in β ladder)trans-130.9148.6-177.8-56.4-84.1000112.6D31 I33 L90 D91 R95 I145D31-Y97 HydrophobicContact CB-CD1 3.63Å; D31-Y97 HydrophobicContact CB-CE1 3.87Å; D31-Y97 VanDerWaalsContact O-CA 3.27Å; D31-Y97 WeakPolarHBondContact O-CA 3.25Å; I33-Y97 HydrophobicContact CD1-CD1 3.49Å; I33-Y97 VanDerWaalsContact CD1-CD1 3.49Å; I33-Y97 HydrophobicContact CD1-CE1 3.87Å; I33-Y97 HydrophobicContact CD1-CG 4.39Å; I33-Y97 HydrophobicContact CG1-CD1 4.19Å; L90-Y97 HydrophobicContact CB-CE2 4.24Å; L90-Y97 HydrophobicContact CD1-CD1 4.06Å; L90-Y97 HydrophobicContact CD1-CD2 4.16Å; L90-Y97 HydrophobicContact CD1-CE1 4.43Å; L90-Y97 HydrophobicContact CD1-CG 3.88Å; D91-Y97 WeakPolarHBondContact O-CE2 3.04Å; D91-Y97 PolarHBondContact O-OH 3.48Å; R95-Y97 HydrophobicContact CB-CD2 4.48Å; R95-Y97 HydrophobicContact CB-CE1 4.2Å; R95-Y97 HydrophobicContact CB-CE2 3.68Å; Y97-I145 HydrophobicContact CD2-CG2 4.48Å; Y97-I145 PolarHBondContact N-O 2.76Å; Y97-I145 PolarHBondContact O-N 3.3Å
98V91.3Very high88.7Confident2 Ų244.4 Ų44.41%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-119.4110.9159175.90000107.9F15 I30 D31 I33 I100 L142 K143 W144F15-V98 HydrophobicContact CE1-CG1 4.12Å; F15-V98 HydrophobicContact CZ-CG1 3.94Å; I30-V98 HydrophobicContact CG2-CB 4.28Å; I30-V98 HydrophobicContact CG2-CG2 3.6Å; D31-V98 PolarHBondContact O-N 3.2Å; I33-V98 PolarHBondContact N-O 3.48Å; V98-I100 HydrophobicContact CG1-CG1 4.29Å; V98-L142 HydrophobicContact CG1-CD2 4.31Å; V98-K143 WeakPolarHBondContact CA-O 3.34Å; V98-W144 HydrophobicContact CB-CZ3 4.49Å; V98-W144 HydrophobicContact CG1-CH2 4.21Å; V98-W144 HydrophobicContact CG1-CZ2 4.2Å; V98-W144 HydrophobicContact CG2-CD2 3.85Å; V98-W144 HydrophobicContact CG2-CE3 3.31Å; V98-W144 HydrophobicContact CG2-CH2 3.56Å; V98-W144 HydrophobicContact CG2-CZ2 4.17Å; V98-W144 HydrophobicContact CG2-CZ3 3.16Å
99V93.4Very high88.5Confident0 Ų045.9 Ų45.90%023%0.234CC..EExtended strand (participates in β ladder)trans-99.6119.8178.7-171.70000109.1I33 A35 V83 V86 V87 L90 L142 K143I33-V99 HydrophobicContact CB-CG2 4.29Å; I33-V99 HydrophobicContact CG2-CG1 4.5Å; I33-V99 CarbonylContact O-C 3.49Å; I33-V99 WeakPolarHBondContact O-CA 3.23Å; A35-V99 HydrophobicContact CB-CG1 3.99Å; V83-V99 HydrophobicContact CB-CG1 4.45Å; V83-V99 HydrophobicContact CG1-CB 4.01Å; V83-V99 HydrophobicContact CG1-CG1 3.95Å; V83-V99 HydrophobicContact CG2-CG1 4.46Å; V86-V99 HydrophobicContact CB-CG1 4.1Å; V86-V99 HydrophobicContact CG1-CG1 3.87Å; V87-V99 HydrophobicContact CG2-CB 3.83Å; V87-V99 HydrophobicContact CG2-CG1 4.12Å; V87-V99 HydrophobicContact CG2-CG2 3.55Å; L90-V99 HydrophobicContact CD1-CG2 3.63Å; V99-L142 CarbonylContact O-C 3.54Å; V99-L142 WeakPolarHBondContact O-CA 3.03Å; V99-K143 PolarHBondContact N-O 2.83Å; V99-K143 PolarHBondContact O-N 2.71Å
100I91.1Very high88.1Confident3 Ų344.3 Ų44.32%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-106.6123.8-179.8-45.1166.5000108.4F15 I32 I33 A35 L45 L50 V98 V140 C141 L142F15-I100 HydrophobicContact CE2-CD1 3.59Å; F15-I100 HydrophobicContact CE2-CG1 4.25Å; F15-I100 HydrophobicContact CZ-CD1 3.51Å; F15-I100 HydrophobicContact CZ-CG1 4.01Å; I32-I100 HydrophobicContact CG2-CD1 3.78Å; I32-I100 HydrophobicContact CG2-CG1 4.39Å; I33-I100 PolarHBondContact O-N 3.43Å; A35-I100 WeakPolarHBondContact CB-O 3.24Å; A35-I100 PolarHBondContact N-O 2.94Å; L45-I100 HydrophobicContact CD1-CD1 3.87Å; L50-I100 HydrophobicContact CD2-CD1 4.22Å; V98-I100 HydrophobicContact CG1-CG1 4.29Å; I100-V140 HydrophobicContact CG2-CG1 4.5Å; I100-C141 WeakPolarHBondContact CA-O 3.3Å; I100-L142 HydrophobicContact CG1-CD2 4.36Å; I100-L142 HydrophobicContact CG1-CG 4.48Å; I100-L142 HydrophobicContact CG2-CG 4.4Å
101G91Very high87.8Confident0 Ų046.4 Ų46.40%025%0.253CS..EExtended strand (participates in β ladder)trans-124.7148.9170.100000109.8V83 V140 C141V83-G101 VanDerWaalsContact CG2-CA 3.47Å; G101-V140 WeakPolarHBondContact O-CA 3.45Å; G101-C141 PolarHBondContact N-O 3.44Å; G101-C141 PolarHBondContact O-N 3.21Å
102A87.7Confident87.6Confident8 Ų845.2 Ų45.27%0.06625%0.246CC..EExtended strand (participates in β ladder)trans-147.6148.6174.600000110R41 T138 G139 V140R41-A102 PolarHBondContact NH1-O 3.22Å; R41-A102 PolarHBondContact NH2-O 3.42Å; A102-T138 HydrophobicContact CB-CG2 4.41Å; A102-G139 CarbonylContact C-O 3.58Å; A102-G139 WeakPolarHBondContact CA-O 3.05Å; A102-G139 WeakPolarHBondContact CB-O 3.26Å; A102-V140 HydrophobicContact CB-CG2 4.14Å
103D85.8Confident87.3Confident13 Ų1344 Ų447%0.0724%0.239CC..EExtended strand (participates in β ladder)trans-134.6151.3172.4-159.256.2000110.8I75 I78 K82 T138 G139 N189I75-D103 HydrophobicContact CD1-CB 3.6Å; I75-D103 WeakPolarHBondContact CD1-OD2 3.36Å; I75-D103 HydrophobicContact CG1-CB 4.14Å; I75-D103 WeakPolarHBondContact CG1-O 3.37Å; I78-D103 HydrophobicContact CB-CB 4.31Å; I78-D103 HydrophobicContact CG2-CB 3.76Å; K82-D103 IonicContact NZ-OD1 2.9Å; K82-D103 PolarHBondContact NZ-OD1 3.24Å; D103-T138 CarbonylContact O-C 3.54Å; D103-T138 VanDerWaalsContact O-CA 3.24Å; D103-T138 WeakPolarHBondContact O-CA 3.49Å; D103-G139 PolarHBondContact N-O 3.08Å; D103-G139 PolarHBondContact O-N 3.39Å; D103-N189 PolarHBondContact OD1-OD1 2.94Å
104T81.5Confident86.7Confident24 Ų2442.2 Ų42.215%0.14723%0.233CC..EExtended strand (participates in β ladder)trans-134.8129.6-174.7-55.90000111R41 V136 I137 T138 N189R41-T104 PolarHBondContact NH2-OG1 3.3Å; T104-V136 HydrophobicContact CG2-CG1 3.64Å; T104-I137 WeakPolarHBondContact CA-O 3.19Å; T104-T138 WeakPolarHBondContact CG2-OG1 3.38Å; T104-T138 PolarHBondContact OG1-OG1 3.5Å; T104-T138 VanDerWaalsContact OG1-OG1 3.05Å; T104-N189 PolarHBondContact N-OD1 3.17Å
105M83.1Confident86.3Confident13 Ų1339.2 Ų39.26%0.06422%0.218CC..EExtended strand (participates in β ladder)trans-128.3156.8175.463.3175.762.200112.6I71 I75 I78 I112 V136 I137I71-M105 HydrophobicContact CG2-CG 4.42Å; I71-M105 HydrophobicContact CG2-SD 3.26Å; I71-M105 WeakPolarHBondContact CG2-SD 3.43Å; I75-M105 HydrophobicContact CB-CE 3.81Å; I75-M105 HydrophobicContact CB-CG 4.48Å; I75-M105 HydrophobicContact CB-SD 4.33Å; I75-M105 HydrophobicContact CD1-CB 4.14Å; I75-M105 HydrophobicContact CD1-CE 3.36Å; I75-M105 HydrophobicContact CD1-CG 3.88Å; I75-M105 HydrophobicContact CD1-SD 4.29Å; I75-M105 HydrophobicContact CG1-CE 4.14Å; I75-M105 HydrophobicContact CG1-CG 4.36Å; I78-M105 HydrophobicContact CD1-CE 4.21Å; M105-I112 HydrophobicContact CB-CG2 4.15Å; M105-I112 HydrophobicContact CE-CD1 4.49Å; M105-I112 HydrophobicContact CE-CG2 4.38Å; M105-I112 HydrophobicContact SD-CD1 4.01Å; M105-I112 HydrophobicContact SD-CG1 4.22Å; M105-I112 HydrophobicContact SD-CG2 3.83Å; M105-V136 WeakPolarHBondContact O-CA 3.41Å; M105-I137 HydrophobicContact CG-CB 4.26Å; M105-I137 PolarHBondContact N-O 2.71Å; M105-I137 PolarHBondContact O-N 2.96Å
106V84Confident85.8Confident3 Ų333 Ų332%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-106.6133.3175.5179.90000108.1F113 L129 Q135 V136 F190 F192V106-F113 HydrophobicContact CB-CB 4.16Å; V106-F113 HydrophobicContact CG1-CB 4.44Å; V106-F113 PolarHBondContact O-N 2.73Å; V106-L129 HydrophobicContact CG1-CD1 4.03Å; V106-L129 HydrophobicContact CG1-CD2 4.38Å; V106-Q135 CarbonylContact C-O 3.6Å; V106-Q135 WeakPolarHBondContact CA-O 3.15Å; V106-V136 HydrophobicContact CG2-CG2 4.3Å; V106-F190 HydrophobicContact CG2-CD1 4.13Å; V106-F190 HydrophobicContact CG2-CG 4.49Å; V106-F192 HydrophobicContact CG1-CE2 4.42Å; V106-F192 HydrophobicContact CG2-CE2 3.95Å
107C88.3Confident85.5Confident3 Ų336.1 Ų36.12%0.0222%0.22CC..EExtended strand (participates in β ladder)trans-131.1134.4-178.7-54.40000110.7I71 C111 Q135 I137I71-C107 HydrophobicContact CD1-CB 4.31Å; C107-C111 CarbonylContact C-O 3.53Å; C107-C111 WeakPolarHBondContact CA-O 3.21Å; C107-Q135 HydrophobicContact CB-CB 4.35Å; C107-Q135 PolarHBondContact N-O 3.17Å; C107-Q135 PolarHBondContact O-N 3.41Å; C107-I137 HydrophobicContact CB-CD1 4.43Å
108F90.2Very high85.2Confident27 Ų2737.4 Ų37.412%0.11823%0.231CC..EExtended strand (participates in β ladder)trans-145.2130174.9178.7-113.2000108.9G110 C111 F113 L129 N132 V133 H134F108-G110 PolarHBondContact O-N 2.72Å; F108-G110 VanDerWaalsContact O-N 3.15Å; F108-C111 PolarHBondContact N-O 2.8Å; F108-C111 WeakPolarHBondContact O-CB 3.35Å; F108-C111 PolarHBondContact O-N 3.38Å; F108-F113 HydrophobicContact CB-CD2 4.37Å; F108-F113 HydrophobicContact CB-CE2 3.76Å; F108-L129 HydrophobicContact CB-CD2 3.59Å; F108-L129 HydrophobicContact CD1-CD2 4.29Å; F108-L129 HydrophobicContact CG-CD2 3.96Å; F108-N132 HydrophobicContact CD2-CB 4.35Å; F108-N132 HydrophobicContact CE1-CB 4.33Å; F108-N132 HydrophobicContact CE2-CB 3.55Å; F108-N132 HydrophobicContact CZ-CB 3.53Å; F108-N132 VanDerWaalsContact CZ-CG 3.41Å; F108-N132 WeakPolarHBondContact CZ-ND2 3.33Å; F108-V133 WeakPolarHBondContact CD2-O 3.24Å; F108-H134 HydrophobicContact CB-CB 3.87Å; F108-H134 HydrophobicContact CD2-CB 3.98Å; F108-H134 HydrophobicContact CG-CB 4.25Å
109E89.5Confident85.1Confident168 Ų16840.8 Ų40.879%0.78525%0.247SC*.THydrogen-bonded Turntrans5037.9-177.7-61.6-172157.800114.8C111E109-C111 PolarHBondContact O-N 3.33Å
110G85.1Confident85.1Confident65 Ų6545.2 Ų45.267%0.6727%0.274SS*.THydrogen-bonded Turntrans80.9-8.7-179.300000114.6F108F108-G110 PolarHBondContact O-N 2.72Å; F108-G110 VanDerWaalsContact O-N 3.15Å
111C87.3Confident84.9Confident72 Ų7247.2 Ų47.249%0.48629%0.285SS..EExtended strand (participates in β ladder)trans-83.5136.6173.2-610000110.9C107 F108 E109 F113C107-C111 CarbonylContact C-O 3.53Å; C107-C111 WeakPolarHBondContact CA-O 3.21Å; F108-C111 PolarHBondContact N-O 2.8Å; F108-C111 WeakPolarHBondContact O-CB 3.35Å; F108-C111 PolarHBondContact O-N 3.38Å; E109-C111 PolarHBondContact O-N 3.33Å; C111-F113 HydrophobicContact CB-CE2 3.89Å; C111-F113 HydrophobicContact CB-CZ 4.18Å
112I87Confident84.6Confident59 Ų5947.3 Ų47.330%0.30329%0.286SS..EExtended strand (participates in β ladder)trans-94.2125.3171.5-58.3172.5000108.2I71 M105I71-I112 HydrophobicContact CD1-CD1 4.4Å; I71-I112 HydrophobicContact CD1-CG1 3.99Å; I71-I112 HydrophobicContact CG1-CD1 4.2Å; I71-I112 HydrophobicContact CG1-CG1 4.34Å; I71-I112 HydrophobicContact CG2-CD1 4.15Å; I71-I112 HydrophobicContact CG2-CG1 4.29Å; M105-I112 HydrophobicContact CB-CG2 4.15Å; M105-I112 HydrophobicContact CE-CD1 4.49Å; M105-I112 HydrophobicContact CE-CG2 4.38Å; M105-I112 HydrophobicContact SD-CD1 4.01Å; M105-I112 HydrophobicContact SD-CG1 4.22Å; M105-I112 HydrophobicContact SD-CG2 3.83Å
113F82Confident84.7Confident33 Ų3348.4 Ų48.415%0.14529%0.291CS..EExtended strand (participates in β ladder)trans-99.4112.4175.9-66.5-84.9000109.5V106 F108 C111 I125 C128 L129V106-F113 HydrophobicContact CB-CB 4.16Å; V106-F113 HydrophobicContact CG1-CB 4.44Å; V106-F113 PolarHBondContact O-N 2.73Å; F108-F113 HydrophobicContact CB-CD2 4.37Å; F108-F113 HydrophobicContact CB-CE2 3.76Å; C111-F113 HydrophobicContact CB-CE2 3.89Å; C111-F113 HydrophobicContact CB-CZ 4.18Å; F113-I125 HydrophobicContact CB-CG2 4.37Å; F113-I125 HydrophobicContact CD1-CB 4.24Å; F113-I125 HydrophobicContact CD1-CD1 4.19Å; F113-I125 HydrophobicContact CD1-CG1 3.74Å; F113-I125 HydrophobicContact CD1-CG2 3.87Å; F113-I125 HydrophobicContact CE1-CG1 4.26Å; F113-I125 HydrophobicContact CE1-CG2 4.49Å; F113-I125 HydrophobicContact CG-CG2 4.27Å; F113-C128 HydrophobicContact CZ-CB 4.35Å; F113-L129 HydrophobicContact CD2-CD2 4.49Å; F113-L129 HydrophobicContact CE2-CD2 4.4Å
114G72.8Confident85Confident46 Ų4652 Ų5247%0.47431%0.31SS..  trans-81-170.3170.600000112.2F190G114-F190 WeakPolarHBondContact O-CD2 3.42Å; G114-F190 WeakPolarHBondContact O-CE2 3.41Å
115K70.3Confident85.2Confident95 Ų9551.1 Ų51.141%0.41331%0.305SS..SBendtrans-58.7140.7170.4-70.1174.1177-179.30110.1S117 S185 F190K115-S117 PolarHBondContact O-N 2.82Å; K115-S185 PolarHBondContact NZ-O 2.98Å; K115-F190 HydrophobicContact CG-CD2 4.46Å
116P78.4Confident85.5Confident7 Ų750.9 Ų50.95%0.04530%0.304CS..  trans-68.4128.6177.924.9-15.3000108.4S118 D121 A122 I125 M182 F190P116-S118 VanDerWaalsContact C-N 3.35Å; P116-D121 WeakPolarHBondContact CA-OD2 3.25Å; P116-D121 HydrophobicContact CB-CB 4.48Å; P116-A122 HydrophobicContact CB-CB 3.66Å; P116-A122 HydrophobicContact CG-CB 4.05Å; P116-I125 HydrophobicContact CB-CD1 4.23Å; P116-M182 HydrophobicContact CB-SD 4.16Å; P116-M182 HydrophobicContact CG-SD 3.85Å; P116-F190 VanDerWaalsContact CD-CE2 3.43Å; P116-F190 HydrophobicContact CG-CE2 4.19Å; P116-F190 HydrophobicContact CG-CZ 4.49Å
117S83.6Confident85.8Confident97 Ų9753.4 Ų53.468%0.67832%0.322SS*.SBendtrans-79.2-21.4-179.657.90000112.7K115 D121K115-S117 PolarHBondContact O-N 2.82Å; S117-D121 PolarHBondContact N-OD2 3Å; S117-D121 PolarHBondContact OG-OD2 2.79Å
118S86.9Confident85.9Confident47 Ų4756.2 Ų56.233%0.32934%0.34SS..SBendtrans-154.6169.8-177.966.60000111.4P116 V120 D121 A122P116-S118 VanDerWaalsContact C-N 3.35Å; S118-V120 VanDerWaalsContact C-N 3.3Å; S118-V120 PolarHBondContact O-N 3.36Å; S118-D121 WeakPolarHBondContact O-CB 3.17Å; S118-D121 PolarHBondContact O-N 2.97Å; S118-D121 WeakPolarHBondContact OG-CB 3.24Å; S118-D121 PolarHBondContact OG-N 2.9Å; S118-D121 VanDerWaalsContact OG-N 3.08Å; S118-A122 PolarHBondContact O-N 2.95Å
119H88.5Confident85.9Confident73 Ų7354.9 Ų54.934%0.33834%0.335SS..Hα-helixtrans-53.1-48.4169.6-177.296.3000111.8D121 A122 V123 E173 V176H119-D121 VanDerWaalsContact C-N 3.31Å; H119-D121 PolarHBondContact O-N 2.63Å; H119-A122 WeakPolarHBondContact O-CB 3.2Å; H119-A122 PolarHBondContact O-N 2.89Å; H119-V123 WeakPolarHBondContact O-CG2 3.44Å; H119-V123 PolarHBondContact O-N 2.91Å; H119-E173 IonicContact CE1-OE1 3.27Å; H119-E173 PolarHBondContact CE1-OE1 3.04Å; H119-E173 IonicContact CE1-OE2 2.73Å; H119-E173 VanDerWaalsContact NE2-CD 3.26Å; H119-E173 IonicContact NE2-OE1 3.74Å; H119-E173 PolarHBondContact NE2-OE1 3.35Å; H119-E173 IonicContact NE2-OE2 3.95Å; H119-E173 PolarHBondContact NE2-OE2 2.76Å; H119-V176 HydrophobicContact CB-CG1 4.33Å; H119-V176 VanDerWaalsContact CE1-CG1 3.46Å; H119-V176 WeakPolarHBondContact CE1-CG1 3.44Å; H119-V176 WeakPolarHBondContact ND1-CG1 3.38Å
120V92.3Very high85.8Confident93 Ų9347.8 Ų47.856%0.56430%0.304SS*.Hα-helixtrans-61-42.7179.8176.80000110.8S118 V123 N124S118-V120 VanDerWaalsContact C-N 3.3Å; S118-V120 PolarHBondContact O-N 3.36Å; V120-V123 PolarHBondContact O-N 3.45Å; V120-N124 WeakPolarHBondContact O-CB 3.19Å; V120-N124 PolarHBondContact O-N 3.18Å; V120-N124 PolarHBondContact O-ND2 3.27Å
121D88.5Confident85.9Confident46 Ų4645.7 Ų45.725%0.24628%0.282CS..Hα-helixtrans-63-46.4176.2-168.323.6000111.1P116 S117 S118 H119 V123 N124 I125P116-D121 WeakPolarHBondContact CA-OD2 3.25Å; P116-D121 HydrophobicContact CB-CB 4.48Å; S117-D121 PolarHBondContact N-OD2 3Å; S117-D121 PolarHBondContact OG-OD2 2.79Å; S118-D121 WeakPolarHBondContact O-CB 3.17Å; S118-D121 PolarHBondContact O-N 2.97Å; S118-D121 WeakPolarHBondContact OG-CB 3.24Å; S118-D121 PolarHBondContact OG-N 2.9Å; S118-D121 VanDerWaalsContact OG-N 3.08Å; H119-D121 VanDerWaalsContact C-N 3.31Å; H119-D121 PolarHBondContact O-N 2.63Å; D121-V123 VanDerWaalsContact C-N 3.34Å; D121-V123 PolarHBondContact O-N 2.79Å; D121-N124 WeakPolarHBondContact O-CB 3.11Å; D121-N124 PolarHBondContact O-N 3.45Å; D121-N124 VanDerWaalsContact O-N 3.11Å; D121-I125 VanDerWaalsContact O-CG1 3.28Å; D121-I125 WeakPolarHBondContact O-CG1 3.47Å; D121-I125 PolarHBondContact O-N 2.91Å
122A84.7Confident86Confident2 Ų245.2 Ų45.22%0.01727%0.274CS..Hα-helixtrans-57.6-44.6175.500000112.6P116 S118 H119 N124 I125 L126 V176 P181P116-A122 HydrophobicContact CB-CB 3.66Å; P116-A122 HydrophobicContact CG-CB 4.05Å; S118-A122 PolarHBondContact O-N 2.95Å; H119-A122 WeakPolarHBondContact O-CB 3.2Å; H119-A122 PolarHBondContact O-N 2.89Å; A122-N124 VanDerWaalsContact C-N 3.34Å; A122-I125 PolarHBondContact O-N 2.94Å; A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 WeakPolarHBondContact O-CD1 3.49Å; A122-L126 VanDerWaalsContact O-CG 3.22Å; A122-L126 WeakPolarHBondContact O-CG 3.5Å; A122-L126 PolarHBondContact O-N 3.27Å; A122-V176 HydrophobicContact CB-CB 4.47Å; A122-V176 HydrophobicContact CB-CG1 3.72Å; A122-V176 HydrophobicContact CB-CG2 3.8Å; A122-P181 HydrophobicContact CB-CB 4.32Å
123V88.9Confident86Confident31 Ų3145.8 Ų45.819%0.18828%0.281CS..Hα-helixtrans-60.4-44.6175.1171.90000110.8H119 V120 D121 L126 S127 I172 V176H119-V123 WeakPolarHBondContact O-CG2 3.44Å; H119-V123 PolarHBondContact O-N 2.91Å; V120-V123 PolarHBondContact O-N 3.45Å; D121-V123 VanDerWaalsContact C-N 3.34Å; D121-V123 PolarHBondContact O-N 2.79Å; V123-L126 PolarHBondContact O-N 3.29Å; V123-S127 VanDerWaalsContact O-CB 3.25Å; V123-S127 WeakPolarHBondContact O-CB 3.43Å; V123-S127 PolarHBondContact O-N 3.48Å; V123-S127 PolarHBondContact O-OG 3.13Å; V123-I172 HydrophobicContact CB-CG2 4.25Å; V123-I172 HydrophobicContact CG1-CG2 4Å; V123-I172 HydrophobicContact CG2-CG2 4.23Å; V123-V176 HydrophobicContact CG2-CB 4.35Å; V123-V176 HydrophobicContact CG2-CG2 3.86Å
124N91.3Very high86.2Confident87 Ų8744.3 Ų44.347%0.46527%0.274SS..Hα-helixtrans-63-49.4178.9-70.3-20.6000111.8V120 D121 A122 L126 S127 C128V120-N124 WeakPolarHBondContact O-CB 3.19Å; V120-N124 PolarHBondContact O-N 3.18Å; V120-N124 PolarHBondContact O-ND2 3.27Å; D121-N124 WeakPolarHBondContact O-CB 3.11Å; D121-N124 PolarHBondContact O-N 3.45Å; D121-N124 VanDerWaalsContact O-N 3.11Å; A122-N124 VanDerWaalsContact C-N 3.34Å; N124-L126 PolarHBondContact O-N 2.72Å; N124-S127 PolarHBondContact O-N 3.35Å; N124-C128 PolarHBondContact O-N 2.82Å; N124-C128 PolarHBondContact O-SG 2.82Å
125I87.4Confident86.7Confident7 Ų746 Ų464%0.03627%0.269CS..Hα-helixtrans-57.1-50.1177.8-63.1-179.4000110.1F113 P116 D121 A122 S127 C128 L129 F190F113-I125 HydrophobicContact CB-CG2 4.37Å; F113-I125 HydrophobicContact CD1-CB 4.24Å; F113-I125 HydrophobicContact CD1-CD1 4.19Å; F113-I125 HydrophobicContact CD1-CG1 3.74Å; F113-I125 HydrophobicContact CD1-CG2 3.87Å; F113-I125 HydrophobicContact CE1-CG1 4.26Å; F113-I125 HydrophobicContact CE1-CG2 4.49Å; F113-I125 HydrophobicContact CG-CG2 4.27Å; P116-I125 HydrophobicContact CB-CD1 4.23Å; D121-I125 VanDerWaalsContact O-CG1 3.28Å; D121-I125 WeakPolarHBondContact O-CG1 3.47Å; D121-I125 PolarHBondContact O-N 2.91Å; A122-I125 PolarHBondContact O-N 2.94Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 2.74Å; I125-C128 PolarHBondContact O-N 3.35Å; I125-L129 HydrophobicContact CG2-CD1 3.78Å; I125-L129 HydrophobicContact CG2-CG 4.41Å; I125-L129 VanDerWaalsContact O-CG 3.24Å; I125-L129 WeakPolarHBondContact O-CG 3.5Å; I125-L129 PolarHBondContact O-N 3.25Å; I125-F190 HydrophobicContact CG2-CZ 4.27Å
126L87.9Confident87.3Confident7 Ų742.8 Ų42.84%0.03726%0.258CS..Hα-helixtrans-63.8-38.2-179.9-70.1166.4000112.2A122 V123 N124 L129 S130 M164 I172 Y175 V176 P181 F192A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 WeakPolarHBondContact O-CD1 3.49Å; A122-L126 VanDerWaalsContact O-CG 3.22Å; A122-L126 WeakPolarHBondContact O-CG 3.5Å; A122-L126 PolarHBondContact O-N 3.27Å; V123-L126 PolarHBondContact O-N 3.29Å; N124-L126 PolarHBondContact O-N 2.72Å; L126-L129 PolarHBondContact O-N 2.97Å; L126-S130 VanDerWaalsContact O-CB 3.3Å; L126-S130 WeakPolarHBondContact O-CB 3.46Å; L126-S130 PolarHBondContact O-N 3.29Å; L126-M164 HydrophobicContact CD2-CE 3.87Å; L126-I172 HydrophobicContact CB-CD1 4.49Å; L126-I172 HydrophobicContact CB-CG1 4.36Å; L126-I172 HydrophobicContact CB-CG2 3.83Å; L126-I172 HydrophobicContact CD1-CG2 4.02Å; L126-Y175 HydrophobicContact CD1-CD1 3.66Å; L126-Y175 HydrophobicContact CD1-CE1 4.3Å; L126-Y175 HydrophobicContact CD2-CD1 4.05Å; L126-Y175 HydrophobicContact CD2-CE1 4.08Å; L126-V176 HydrophobicContact CD1-CG2 3.52Å; L126-P181 HydrophobicContact CD1-CG 4.45Å; L126-F192 HydrophobicContact CD2-CE1 4.1Å
127S90.6Very high87.6Confident57 Ų5742.6 Ų42.640%0.39926%0.257SS..Hα-helixtrans-65.6-41.2176.8-59.40000111.7V123 N124 I125 S130 I172V123-S127 VanDerWaalsContact O-CB 3.25Å; V123-S127 WeakPolarHBondContact O-CB 3.43Å; V123-S127 PolarHBondContact O-N 3.48Å; V123-S127 PolarHBondContact O-OG 3.13Å; N124-S127 PolarHBondContact O-N 3.35Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 2.74Å; S127-S130 WeakPolarHBondContact O-CB 3.47Å; S127-S130 PolarHBondContact O-N 3.46Å; S127-I172 WeakPolarHBondContact OG-CD1 3.39Å
128C90.9Very high87.5Confident61 Ų6139 Ų3941%0.41223%0.231SC..Hα-helixtrans-64.3-40.4175.6-70.60000112.4F113 N124 I125 N132F113-C128 HydrophobicContact CZ-CB 4.35Å; N124-C128 PolarHBondContact O-N 2.82Å; N124-C128 PolarHBondContact O-SG 2.82Å; I125-C128 PolarHBondContact O-N 3.35Å; C128-N132 PolarHBondContact O-ND2 3.21Å
129L89.4Confident87.5Confident0 Ų036.8 Ų36.80%022%0.215CC..Hα-helixtrans-81.5-21.3-177.9-60176.7000113V106 F108 F113 I125 L126 G131 N132 H134 M164 F192V106-L129 HydrophobicContact CG1-CD1 4.03Å; V106-L129 HydrophobicContact CG1-CD2 4.38Å; F108-L129 HydrophobicContact CB-CD2 3.59Å; F108-L129 HydrophobicContact CD1-CD2 4.29Å; F108-L129 HydrophobicContact CG-CD2 3.96Å; F113-L129 HydrophobicContact CD2-CD2 4.49Å; F113-L129 HydrophobicContact CE2-CD2 4.4Å; I125-L129 HydrophobicContact CG2-CD1 3.78Å; I125-L129 HydrophobicContact CG2-CG 4.41Å; I125-L129 VanDerWaalsContact O-CG 3.24Å; I125-L129 WeakPolarHBondContact O-CG 3.5Å; I125-L129 PolarHBondContact O-N 3.25Å; L126-L129 PolarHBondContact O-N 2.97Å; L129-G131 PolarHBondContact O-N 2.77Å; L129-N132 WeakPolarHBondContact O-CB 3.36Å; L129-N132 PolarHBondContact O-N 3.14Å; L129-H134 HydrophobicContact CD2-CB 3.64Å; L129-M164 HydrophobicContact CB-SD 3.95Å; L129-M164 VanDerWaalsContact O-CB 3.22Å; L129-M164 WeakPolarHBondContact O-CB 3.49Å; L129-F192 HydrophobicContact CD1-CE2 4.3Å; L129-F192 HydrophobicContact CD1-CZ 3.67Å
130S88.7Confident87.4Confident19 Ų1933.4 Ų33.413%0.13320%0.199CC..THydrogen-bonded Turntrans-51.9129.5178.7-177.70000111.5L126 S127 N132 L167L126-S130 VanDerWaalsContact O-CB 3.3Å; L126-S130 WeakPolarHBondContact O-CB 3.46Å; L126-S130 PolarHBondContact O-N 3.29Å; S127-S130 WeakPolarHBondContact O-CB 3.47Å; S127-S130 PolarHBondContact O-N 3.46Å; S130-N132 PolarHBondContact O-N 3.19Å; S130-N132 PolarHBondContact O-ND2 2.92Å; S130-L167 PolarHBondContact OG-N 3.08Å; S130-L167 PolarHBondContact OG-O 3.38Å
131G86.5Confident87.4Confident20 Ų2029 Ų2921%0.20617%0.172CC..THydrogen-bonded Turntrans66.71.7179.900000115.2L129 K163 M164 I165L129-G131 PolarHBondContact O-N 2.77Å; G131-K163 WeakPolarHBondContact O-CE 3.39Å; G131-K163 PolarHBondContact O-NZ 3.49Å; G131-M164 WeakPolarHBondContact CA-O 3.42Å; G131-I165 PolarHBondContact N-O 3.21Å
132N89.6Confident87.5Confident63 Ų6326.8 Ų26.834%0.33716%0.161SC..SBendtrans-109.3161.9-173.8-73.9-44.4000113.3F108 C128 L129 S130 K163 M164F108-N132 HydrophobicContact CD2-CB 4.35Å; F108-N132 HydrophobicContact CE1-CB 4.33Å; F108-N132 HydrophobicContact CE2-CB 3.55Å; F108-N132 HydrophobicContact CZ-CB 3.53Å; F108-N132 VanDerWaalsContact CZ-CG 3.41Å; F108-N132 WeakPolarHBondContact CZ-ND2 3.33Å; C128-N132 PolarHBondContact O-ND2 3.21Å; L129-N132 WeakPolarHBondContact O-CB 3.36Å; L129-N132 PolarHBondContact O-N 3.14Å; S130-N132 PolarHBondContact O-N 3.19Å; S130-N132 PolarHBondContact O-ND2 2.92Å; N132-K163 WeakPolarHBondContact O-CA 3.48Å; N132-M164 PolarHBondContact O-N 2.68Å
133V87.8Confident87.9Confident71 Ų7127.4 Ų27.443%0.4316%0.163SC..EExtended strand (participates in β ladder)trans-96.7115.1168-1780000108.5F108 N161 V162 K163F108-V133 WeakPolarHBondContact CD2-O 3.24Å; V133-N161 HydrophobicContact CG1-CB 3.9Å; V133-V162 CarbonylContact C-O 3.53Å; V133-V162 VanDerWaalsContact CA-O 3.27Å; V133-V162 WeakPolarHBondContact CA-O 3.48Å; V133-K163 HydrophobicContact CG2-CB 4.09Å; V133-K163 HydrophobicContact CG2-CD 3.46Å; V133-K163 VanDerWaalsContact CG2-CD 3.46Å; V133-K163 HydrophobicContact CG2-CG 4.34Å
134H84.4Confident88Confident2 Ų226.9 Ų26.91%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-113.7165.6175.358.8-92.5000111.2F108 L129 N161 V162 F192F108-H134 HydrophobicContact CB-CB 3.87Å; F108-H134 HydrophobicContact CD2-CB 3.98Å; F108-H134 HydrophobicContact CG-CB 4.25Å; L129-H134 HydrophobicContact CD2-CB 3.64Å; H134-N161 CarbonylContact O-C 3.52Å; H134-N161 WeakPolarHBondContact O-CA 3.14Å; H134-V162 PolarHBondContact N-O 3.21Å; H134-V162 PolarHBondContact ND1-O 3.35Å; H134-V162 WeakPolarHBondContact NE2-CB 3.39Å; H134-V162 PolarHBondContact O-N 3.06Å; H134-F192 AromaticContact NE2-CE2 3.87Å
135Q84.7Confident88Confident80 Ų8022.9 Ų22.937%0.37414%0.136SC..EExtended strand (participates in β ladder)trans-101.6134.2178.3-69.9-179.1-26.400110.2V106 C107 I137 V159 T160 N161V106-Q135 CarbonylContact C-O 3.6Å; V106-Q135 WeakPolarHBondContact CA-O 3.15Å; C107-Q135 HydrophobicContact CB-CB 4.35Å; C107-Q135 PolarHBondContact N-O 3.17Å; C107-Q135 PolarHBondContact O-N 3.41Å; Q135-I137 HydrophobicContact CB-CG1 4.22Å; Q135-V159 HydrophobicContact CB-CG1 4.27Å; Q135-V159 HydrophobicContact CG-CG1 4.06Å; Q135-T160 CarbonylContact C-O 3.6Å; Q135-T160 WeakPolarHBondContact CA-O 3.45Å; Q135-N161 WeakPolarHBondContact CG-OD1 3.35Å
136V83.3Confident88Confident29 Ų2924.7 Ų24.718%0.17615%0.148CC..EExtended strand (participates in β ladder)trans-107.4119.9163.5175.90000106.6T104 M105 V106 T160 V162T104-V136 HydrophobicContact CG2-CG1 3.64Å; M105-V136 WeakPolarHBondContact O-CA 3.41Å; V106-V136 HydrophobicContact CG2-CG2 4.3Å; V136-T160 PolarHBondContact N-O 3.26Å; V136-T160 PolarHBondContact O-N 2.8Å; V136-V162 HydrophobicContact CB-CG2 4.14Å; V136-V162 HydrophobicContact CG2-CG2 3.52Å
137I82.9Confident87.9Confident3 Ų328.8 Ų28.82%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-114.8123.5-175.7-47.1-176.4000107.8I71 I75 T104 M105 C107 Q135 E158 V159I71-I137 HydrophobicContact CB-CD1 4.34Å; I71-I137 HydrophobicContact CG2-CD1 3.77Å; I75-I137 HydrophobicContact CG2-CG2 3.82Å; T104-I137 WeakPolarHBondContact CA-O 3.19Å; M105-I137 HydrophobicContact CG-CB 4.26Å; M105-I137 PolarHBondContact N-O 2.71Å; M105-I137 PolarHBondContact O-N 2.96Å; C107-I137 HydrophobicContact CB-CD1 4.43Å; Q135-I137 HydrophobicContact CB-CG1 4.22Å; I137-E158 WeakPolarHBondContact CA-O 3.49Å; I137-V159 HydrophobicContact CD1-CG2 4.21Å; I137-V159 HydrophobicContact CG1-CG1 4.37Å; I137-V159 HydrophobicContact CG1-CG2 4.05Å; I137-V159 HydrophobicContact CG2-CG2 3.91Å
138T82.9Confident87.7Confident22 Ų2227.4 Ų27.414%0.13517%0.172CC..EExtended strand (participates in β ladder)trans-113.9115.7174.7-610000109.7A102 D103 T104 V140 H157 E158A102-T138 HydrophobicContact CB-CG2 4.41Å; D103-T138 CarbonylContact O-C 3.54Å; D103-T138 VanDerWaalsContact O-CA 3.24Å; D103-T138 WeakPolarHBondContact O-CA 3.49Å; T104-T138 WeakPolarHBondContact CG2-OG1 3.38Å; T104-T138 PolarHBondContact OG1-OG1 3.5Å; T104-T138 VanDerWaalsContact OG1-OG1 3.05Å; T138-V140 HydrophobicContact CG2-CG2 4.14Å; T138-H157 CarbonylContact O-C 3.35Å; T138-H157 WeakPolarHBondContact O-CA 3.4Å; T138-E158 PolarHBondContact N-O 3.22Å; T138-E158 PolarHBondContact O-N 3.35Å
139G86.4Confident87.6Confident0 Ų031.5 Ų31.50%018%0.183CC..EExtended strand (participates in β ladder)trans-86.2141.8169.400000110A102 D103A102-G139 CarbonylContact C-O 3.58Å; A102-G139 WeakPolarHBondContact CA-O 3.05Å; A102-G139 WeakPolarHBondContact CB-O 3.26Å; D103-G139 PolarHBondContact N-O 3.08Å; D103-G139 PolarHBondContact O-N 3.39Å
140V87.4Confident87.6Confident1 Ų136.6 Ų36.61%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-133.3135.8179.8-174.50000108.9V7 I11 I100 G101 A102 T138 L142 Q155 F156V7-V140 HydrophobicContact CG1-CG2 4.24Å; I11-V140 HydrophobicContact CG1-CG1 4.43Å; I100-V140 HydrophobicContact CG2-CG1 4.5Å; G101-V140 WeakPolarHBondContact O-CA 3.45Å; A102-V140 HydrophobicContact CB-CG2 4.14Å; T138-V140 HydrophobicContact CG2-CG2 4.14Å; V140-L142 HydrophobicContact CG1-CD1 3.8Å; V140-Q155 WeakPolarHBondContact O-CA 3.27Å; V140-F156 HydrophobicContact CB-CD1 4.22Å; V140-F156 HydrophobicContact CB-CD2 4.33Å; V140-F156 HydrophobicContact CB-CE1 3.72Å; V140-F156 HydrophobicContact CB-CE2 3.86Å; V140-F156 HydrophobicContact CB-CZ 3.54Å; V140-F156 HydrophobicContact CG1-CE1 3.66Å; V140-F156 HydrophobicContact CG1-CE2 4.35Å; V140-F156 HydrophobicContact CG1-CZ 3.56Å; V140-F156 HydrophobicContact CG2-CE2 3.9Å; V140-F156 HydrophobicContact CG2-CZ 3.93Å; V140-F156 PolarHBondContact N-O 2.87Å; V140-F156 PolarHBondContact O-N 3.29Å
141C90.4Very high87.6Confident0 Ų041.2 Ų41.20%023%0.226CC..EExtended strand (participates in β ladder)trans-124.7135.2171.5-179.40000109.2A79 K80 V83 I100 G101 D154 Q155A79-C141 HydrophobicContact CB-CB 4.19Å; K80-C141 HydrophobicContact CB-CB 4.23Å; V83-C141 HydrophobicContact CB-CB 4.42Å; V83-C141 HydrophobicContact CG2-CB 3.76Å; V83-C141 WeakPolarHBondContact CG2-O 3.17Å; I100-C141 WeakPolarHBondContact CA-O 3.3Å; G101-C141 PolarHBondContact N-O 3.44Å; G101-C141 PolarHBondContact O-N 3.21Å; C141-D154 CarbonylContact C-O 3.54Å; C141-D154 WeakPolarHBondContact CA-O 3.37Å; C141-Q155 HydrophobicContact CB-CG 4.15Å
142L91.1Very high87.7Confident0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-121.3129.8167.7-65.289.2000108.9I14 F15 V98 V99 I100 V140 T153 D154 F156I14-L142 HydrophobicContact CD1-CD1 4.32Å; I14-L142 HydrophobicContact CG2-CD1 4.45Å; I14-L142 HydrophobicContact CG2-CD2 3.86Å; F15-L142 HydrophobicContact CE2-CD2 4.11Å; F15-L142 HydrophobicContact CZ-CD2 4.37Å; V98-L142 HydrophobicContact CG1-CD2 4.31Å; V99-L142 CarbonylContact O-C 3.54Å; V99-L142 WeakPolarHBondContact O-CA 3.03Å; I100-L142 HydrophobicContact CG1-CD2 4.36Å; I100-L142 HydrophobicContact CG1-CG 4.48Å; I100-L142 HydrophobicContact CG2-CG 4.4Å; V140-L142 HydrophobicContact CG1-CD1 3.8Å; L142-T153 CarbonylContact O-C 3.56Å; L142-T153 VanDerWaalsContact O-CA 3.31Å; L142-T153 WeakPolarHBondContact O-CA 3.39Å; L142-D154 HydrophobicContact CB-CB 4.35Å; L142-D154 PolarHBondContact N-O 3.19Å; L142-D154 PolarHBondContact O-N 3.07Å; L142-F156 HydrophobicContact CD1-CD1 4.48Å; L142-F156 HydrophobicContact CD1-CE1 3.57Å; L142-F156 HydrophobicContact CD1-CZ 4.36Å
143K92.4Very high87.8Confident15 Ų1544 Ų447%0.06523%0.233CC..EExtended strand (participates in β ladder)trans-117.8126.1172.1-170.3176-69.3-166.80110.6V83 D84 V87 V98 V99 I145 Q150V83-K143 HydrophobicContact CG1-CB 3.49Å; V83-K143 VanDerWaalsContact CG1-CB 3.49Å; D84-K143 VanDerWaalsContact OD1-CE 3.25Å; D84-K143 WeakPolarHBondContact OD1-CE 3.06Å; D84-K143 IonicContact OD1-NZ 2.62Å; D84-K143 PolarHBondContact OD1-NZ 3.04Å; V87-K143 HydrophobicContact CG1-CD 4.29Å; V87-K143 HydrophobicContact CG2-CD 4.07Å; V98-K143 WeakPolarHBondContact CA-O 3.34Å; V99-K143 PolarHBondContact N-O 2.83Å; V99-K143 PolarHBondContact O-N 2.71Å; K143-I145 HydrophobicContact CG-CG1 4.38Å; K143-Q150 HydrophobicContact CD-CG 3.9Å; K143-Q150 HydrophobicContact CG-CG 3.82Å
144W91.3Very high87.9Confident21 Ų2142.1 Ų42.18%0.0822%0.22CC..EExtended strand (participates in β ladder)trans-97.5121.7179.5-61.480.8000109.5I14 A18 V98 Q150 Q151 K152 D154I14-W144 HydrophobicContact CG2-CZ2 4.46Å; A18-W144 HydrophobicContact CB-CE3 4.36Å; A18-W144 HydrophobicContact CB-CH2 2.93Å; A18-W144 HydrophobicContact CB-CZ2 3.21Å; A18-W144 HydrophobicContact CB-CZ3 3.53Å; V98-W144 HydrophobicContact CB-CZ3 4.49Å; V98-W144 HydrophobicContact CG1-CH2 4.21Å; V98-W144 HydrophobicContact CG1-CZ2 4.2Å; V98-W144 HydrophobicContact CG2-CD2 3.85Å; V98-W144 HydrophobicContact CG2-CE3 3.31Å; V98-W144 HydrophobicContact CG2-CH2 3.56Å; V98-W144 HydrophobicContact CG2-CZ2 4.17Å; V98-W144 HydrophobicContact CG2-CZ3 3.16Å; W144-Q150 CarbonylContact O-C 3.59Å; W144-Q150 WeakPolarHBondContact O-CA 3.14Å; W144-Q151 HydrophobicContact CB-CB 4.32Å; W144-Q151 PolarHBondContact O-N 3.06Å; W144-K152 HydrophobicContact CB-CB 4.13Å; W144-K152 HydrophobicContact CG-CB 4.14Å; W144-K152 PolarHBondContact N-O 3.24Å; W144-D154 PolarHBondContact NE1-OD2 2.85Å; W144-D154 VanDerWaalsContact NE1-OD2 3.17Å
145I91Very high88.1Confident3 Ų345.9 Ų45.92%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-122.2117.8179.3-57.9173.1000107.6V87 I92 N96 Y97 K143 K149V87-I145 HydrophobicContact CB-CD1 4.22Å; V87-I145 HydrophobicContact CG1-CD1 3.49Å; V87-I145 VanDerWaalsContact CG1-CD1 3.49Å; V87-I145 HydrophobicContact CG2-CD1 3.8Å; I92-I145 HydrophobicContact CB-CG2 3.81Å; I92-I145 HydrophobicContact CG2-CD1 4Å; I92-I145 HydrophobicContact CG2-CG2 3.82Å; N96-I145 CarbonylContact C-O 3.59Å; N96-I145 VanDerWaalsContact CA-O 3.26Å; N96-I145 WeakPolarHBondContact CA-O 3.43Å; Y97-I145 HydrophobicContact CD2-CG2 4.48Å; Y97-I145 PolarHBondContact N-O 2.76Å; Y97-I145 PolarHBondContact O-N 3.3Å; K143-I145 HydrophobicContact CG-CG1 4.38Å; I145-K149 WeakPolarHBondContact CA-O 3.38Å
146V88.2Confident88.2Confident45 Ų4543.8 Ų43.827%0.27323%0.227SC..EExtended strand (participates in β ladder)trans-135.1131.1-179-175.40000108.6N96 G148 K149 Q151N96-V146 VanDerWaalsContact OD1-CA 3.28Å; N96-V146 WeakPolarHBondContact OD1-CA 3.44Å; N96-V146 WeakPolarHBondContact OD1-CG1 3.39Å; V146-G148 PolarHBondContact O-N 2.88Å; V146-K149 PolarHBondContact N-O 2.8Å; V146-K149 PolarHBondContact O-N 2.86Å; V146-K149 VanDerWaalsContact O-N 3.1Å; V146-K149 VanDerWaalsContact O-O 3.11Å; V146-Q151 HydrophobicContact CB-CG 3.6Å; V146-Q151 HydrophobicContact CG2-CG 3.73Å; V146-Q151 PolarHBondContact O-NE2 3.03Å; V146-Q151 VanDerWaalsContact O-NE2 3.11Å
147S86.1Confident88.3Confident93 Ų9346 Ų4665%0.6524%0.236SC*.THydrogen-bonded Turntrans51.150178.7-53.80000113.1N96 K149N96-S147 PolarHBondContact OD1-N 2.93Å; S147-K149 PolarHBondContact O-N 2.85Å
148G86.5Confident88.3Confident28 Ų2848.5 Ų48.529%0.28925%0.247SC..THydrogen-bonded Turntrans73.26.9179.100000115.9I92 V146I92-G148 WeakPolarHBondContact O-CA 2.92Å; I92-G148 PolarHBondContact O-N 2.87Å; I92-G148 VanDerWaalsContact O-N 3.14Å; V146-G148 PolarHBondContact O-N 2.88Å
149K88.7Confident88.3Confident147 Ų14750.1 Ų50.164%0.63926%0.257SS*.EExtended strand (participates in β ladder)trans-131.6139.6-175.9-65.1-178.3-176.9179.10112I145 V146 S147 Q151I145-K149 WeakPolarHBondContact CA-O 3.38Å; V146-K149 PolarHBondContact N-O 2.8Å; V146-K149 PolarHBondContact O-N 2.86Å; V146-K149 VanDerWaalsContact O-N 3.1Å; V146-K149 VanDerWaalsContact O-O 3.11Å; S147-K149 PolarHBondContact O-N 2.85Å; K149-Q151 PolarHBondContact O-N 3.37Å; K149-Q151 PolarHBondContact O-NE2 3.39Å
150Q89Confident87.9Confident107 Ų10751 Ų5150%0.526%0.262SS..EExtended strand (participates in β ladder)trans-65.6116.5166.4-176.6-170.6-72.600108.9K143 W144 T153K143-Q150 HydrophobicContact CD-CG 3.9Å; K143-Q150 HydrophobicContact CG-CG 3.82Å; W144-Q150 CarbonylContact O-C 3.59Å; W144-Q150 WeakPolarHBondContact O-CA 3.14Å; Q150-T153 PolarHBondContact NE2-OG1 3.18Å
151Q88.8Confident87.7Confident115 Ų11555.3 Ų55.354%0.53729%0.285SS..EExtended strand (participates in β ladder)trans-88-42.1178-59.7-57-41.400111.5W144 V146 K149W144-Q151 HydrophobicContact CB-CB 4.32Å; W144-Q151 PolarHBondContact O-N 3.06Å; V146-Q151 HydrophobicContact CB-CG 3.6Å; V146-Q151 HydrophobicContact CG2-CG 3.73Å; V146-Q151 PolarHBondContact O-NE2 3.03Å; V146-Q151 VanDerWaalsContact O-NE2 3.11Å; K149-Q151 PolarHBondContact O-N 3.37Å; K149-Q151 PolarHBondContact O-NE2 3.39Å
152K89Confident87.1Confident101 Ų10155.4 Ų55.444%0.43929%0.286SS..EExtended strand (participates in β ladder)trans-155.3147.1-171-167.5-178.5-176-142.80111W144 D154W144-K152 HydrophobicContact CB-CB 4.13Å; W144-K152 HydrophobicContact CG-CB 4.14Å; W144-K152 PolarHBondContact N-O 3.24Å; K152-D154 WeakPolarHBondContact CD-OD2 3.39Å; K152-D154 WeakPolarHBondContact CE-OD1 3.2Å; K152-D154 VanDerWaalsContact CE-OD2 3.32Å; K152-D154 WeakPolarHBondContact CE-OD2 3.19Å; K152-D154 IonicContact NZ-OD1 2.69Å; K152-D154 PolarHBondContact NZ-OD1 3.44Å; K152-D154 IonicContact NZ-OD2 2.87Å; K152-D154 PolarHBondContact NZ-OD2 3.23Å
153T91.7Very high86.6Confident41 Ų4159.3 Ų59.325%0.25230%0.303SS..EExtended strand (participates in β ladder)trans-125.8119.9165.9-58.80000108.2L142 Q150 Q155L142-T153 CarbonylContact O-C 3.56Å; L142-T153 VanDerWaalsContact O-CA 3.31Å; L142-T153 WeakPolarHBondContact O-CA 3.39Å; Q150-T153 PolarHBondContact NE2-OG1 3.18Å; T153-Q155 HydrophobicContact CG2-CG 4.2Å
154D89Confident86Confident31 Ų3158.6 Ų58.617%0.16630%0.3CS..EExtended strand (participates in β ladder)trans-103.5125.6173.9-69-65.3000108.5C141 L142 W144 K152C141-D154 CarbonylContact C-O 3.54Å; C141-D154 WeakPolarHBondContact CA-O 3.37Å; L142-D154 HydrophobicContact CB-CB 4.35Å; L142-D154 PolarHBondContact N-O 3.19Å; L142-D154 PolarHBondContact O-N 3.07Å; W144-D154 PolarHBondContact NE1-OD2 2.85Å; W144-D154 VanDerWaalsContact NE1-OD2 3.17Å; K152-D154 WeakPolarHBondContact CD-OD2 3.39Å; K152-D154 WeakPolarHBondContact CE-OD1 3.2Å; K152-D154 VanDerWaalsContact CE-OD2 3.32Å; K152-D154 WeakPolarHBondContact CE-OD2 3.19Å; K152-D154 IonicContact NZ-OD1 2.69Å; K152-D154 PolarHBondContact NZ-OD1 3.44Å; K152-D154 IonicContact NZ-OD2 2.87Å; K152-D154 PolarHBondContact NZ-OD2 3.23Å
155Q89.3Confident85.7Confident81 Ų8160.9 Ų60.938%0.37931%0.313SS..EExtended strand (participates in β ladder)trans-125.7135.8174.5-72.2172.597.300108.6V140 C141 T153V140-Q155 WeakPolarHBondContact O-CA 3.27Å; C141-Q155 HydrophobicContact CB-CG 4.15Å; T153-Q155 HydrophobicContact CG2-CG 4.2Å
156F87.3Confident85.5Confident36 Ų3668.5 Ų68.516%0.15835%0.348CS..EExtended strand (participates in β ladder)trans-158.4169.2175.964.4-82.1000109.7A10 I11 I14 E76 V140 L142A10-F156 HydrophobicContact CB-CD2 4.35Å; A10-F156 HydrophobicContact CB-CE2 3.67Å; A10-F156 HydrophobicContact CB-CZ 4.15Å; I11-F156 HydrophobicContact CG1-CZ 4.01Å; I14-F156 HydrophobicContact CD1-CD1 3.59Å; I14-F156 HydrophobicContact CD1-CE1 3.07Å; I14-F156 HydrophobicContact CD1-CE2 4.48Å; I14-F156 HydrophobicContact CD1-CG 4.48Å; I14-F156 HydrophobicContact CD1-CZ 3.59Å; E76-F156 WeakPolarHBondContact OE1-CA 3.23Å; V140-F156 HydrophobicContact CB-CD1 4.22Å; V140-F156 HydrophobicContact CB-CD2 4.33Å; V140-F156 HydrophobicContact CB-CE1 3.72Å; V140-F156 HydrophobicContact CB-CE2 3.86Å; V140-F156 HydrophobicContact CB-CZ 3.54Å; V140-F156 HydrophobicContact CG1-CE1 3.66Å; V140-F156 HydrophobicContact CG1-CE2 4.35Å; V140-F156 HydrophobicContact CG1-CZ 3.56Å; V140-F156 HydrophobicContact CG2-CE2 3.9Å; V140-F156 HydrophobicContact CG2-CZ 3.93Å; V140-F156 PolarHBondContact N-O 2.87Å; V140-F156 PolarHBondContact O-N 3.29Å; L142-F156 HydrophobicContact CD1-CD1 4.48Å; L142-F156 HydrophobicContact CD1-CE1 3.57Å; L142-F156 HydrophobicContact CD1-CZ 4.36Å
157H85.6Confident85.3Confident76 Ų7667.1 Ų67.135%0.35234%0.339SS..EExtended strand (participates in β ladder)trans-136.8160.3175.960.5-89.7000111.6E76 T138E76-H157 HydrophobicContact CG-CB 4.18Å; E76-H157 IonicContact OE1-CE1 3.04Å; E76-H157 IonicContact OE1-CG 3.69Å; E76-H157 PolarHBondContact OE1-N 2.98Å; E76-H157 IonicContact OE1-ND1 2.95Å; E76-H157 PolarHBondContact OE1-ND1 2.81Å; T138-H157 CarbonylContact O-C 3.35Å; T138-H157 WeakPolarHBondContact O-CA 3.4Å
158E82.7Confident85.3Confident56 Ų5665 Ų6526%0.26232%0.324SS..EExtended strand (participates in β ladder)trans-123.2124.8168.4-174.671.3-175.900109.1H6 V7 I137 T138H6-E158 WeakPolarHBondContact CB-OE1 3.44Å; H6-E158 IonicContact CG-OE1 2.68Å; V7-E158 HydrophobicContact CG2-CB 3.55Å; V7-E158 HydrophobicContact CG2-CG 3.77Å; I137-E158 WeakPolarHBondContact CA-O 3.49Å; T138-E158 PolarHBondContact N-O 3.22Å; T138-E158 PolarHBondContact O-N 3.35Å
159V82.8Confident85.5Confident55 Ų5568.8 Ų68.833%0.33334%0.344SS..EExtended strand (participates in β ladder)trans-101.2130.9173.6175.60000108.8P72 Q135 I137P72-V159 HydrophobicContact CG-CG2 4.45Å; Q135-V159 HydrophobicContact CB-CG1 4.27Å; Q135-V159 HydrophobicContact CG-CG1 4.06Å; I137-V159 HydrophobicContact CD1-CG2 4.21Å; I137-V159 HydrophobicContact CG1-CG1 4.37Å; I137-V159 HydrophobicContact CG1-CG2 4.05Å; I137-V159 HydrophobicContact CG2-CG2 3.91Å
160T78.1Confident85.5Confident18 Ų1868.9 Ų68.911%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-131.5118.5-177.7-64.30000111.8K3 Q135 V136 V162K3-T160 HydrophobicContact CB-CG2 4.35Å; K3-T160 HydrophobicContact CD-CG2 3.14Å; K3-T160 HydrophobicContact CG-CG2 3.69Å; Q135-T160 CarbonylContact C-O 3.6Å; Q135-T160 WeakPolarHBondContact CA-O 3.45Å; V136-T160 PolarHBondContact N-O 3.26Å; V136-T160 PolarHBondContact O-N 2.8Å; T160-V162 HydrophobicContact CG2-CG2 4.4Å; T160-V162 WeakPolarHBondContact O-CG2 3.35Å
161N82.6Confident85.2Confident92 Ų9267.1 Ų67.149%0.49234%0.343SS..EExtended strand (participates in β ladder)trans-71.9135.7171.7-64.6-30.7000111.5K3 V133 H134 Q135K3-N161 PolarHBondContact NZ-O 3.23Å; V133-N161 HydrophobicContact CG1-CB 3.9Å; H134-N161 CarbonylContact O-C 3.52Å; H134-N161 WeakPolarHBondContact O-CA 3.14Å; Q135-N161 WeakPolarHBondContact CG-OD1 3.35Å
162V77.4Confident85Confident2 Ų262 Ų621%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-134113.9-174.9-166.80000108.7V133 H134 V136 T160 V206V133-V162 CarbonylContact C-O 3.53Å; V133-V162 VanDerWaalsContact CA-O 3.27Å; V133-V162 WeakPolarHBondContact CA-O 3.48Å; H134-V162 PolarHBondContact N-O 3.21Å; H134-V162 PolarHBondContact ND1-O 3.35Å; H134-V162 WeakPolarHBondContact NE2-CB 3.39Å; H134-V162 PolarHBondContact O-N 3.06Å; V136-V162 HydrophobicContact CB-CG2 4.14Å; V136-V162 HydrophobicContact CG2-CG2 3.52Å; T160-V162 HydrophobicContact CG2-CG2 4.4Å; T160-V162 WeakPolarHBondContact O-CG2 3.35Å; V162-V206 HydrophobicContact CG1-CB 4.18Å; V162-V206 HydrophobicContact CG1-CG2 3.14Å
163K81.7Confident84.9Confident83 Ų8360.2 Ų60.236%0.36131%0.313SS..EExtended strand (participates in β ladder)trans-86.7122.2171.9-178.969.1-179.6-173.10108.4G131 N132 V133 W204 V205 V206G131-K163 WeakPolarHBondContact O-CE 3.39Å; G131-K163 PolarHBondContact O-NZ 3.49Å; N132-K163 WeakPolarHBondContact O-CA 3.48Å; V133-K163 HydrophobicContact CG2-CB 4.09Å; V133-K163 HydrophobicContact CG2-CD 3.46Å; V133-K163 VanDerWaalsContact CG2-CD 3.46Å; V133-K163 HydrophobicContact CG2-CG 4.34Å; K163-W204 WeakPolarHBondContact CB-O 3.49Å; K163-W204 PolarHBondContact N-O 3.03Å; K163-V205 CarbonylContact O-C 3.56Å; K163-V205 WeakPolarHBondContact O-CA 3.28Å; K163-V206 PolarHBondContact O-N 2.93Å
164M80Confident84.3Confident0 Ų059.7 Ų59.70%032%0.315CS..EExtended strand (participates in β ladder)trans-84.7142166.2-152.1169.8-161.900109.2L126 L129 G131 N132 L167 F192 V208L126-M164 HydrophobicContact CD2-CE 3.87Å; L129-M164 HydrophobicContact CB-SD 3.95Å; L129-M164 VanDerWaalsContact O-CB 3.22Å; L129-M164 WeakPolarHBondContact O-CB 3.49Å; G131-M164 WeakPolarHBondContact CA-O 3.42Å; N132-M164 PolarHBondContact O-N 2.68Å; M164-L167 HydrophobicContact CE-CD1 3.3Å; M164-L167 HydrophobicContact CE-CG 4.17Å; M164-L167 HydrophobicContact SD-CD1 4.06Å; M164-F192 HydrophobicContact CE-CE1 4.19Å; M164-V208 HydrophobicContact CE-CG2 3.66Å
165I84Confident83.7Confident68 Ų6858.6 Ų58.635%0.34931%0.309SS..PPolyproline II helixtrans-62.1159.4161.763.1170.8000109.1G131 L167 V205G131-I165 PolarHBondContact N-O 3.21Å; I165-L167 HydrophobicContact CD1-CD2 3.91Å; I165-L167 HydrophobicContact CG1-CD2 3.74Å; I165-L167 PolarHBondContact O-N 3.12Å; I165-V205 HydrophobicContact CG2-CG1 3.56Å
166E87.7Confident83.3Confident164 Ų16454.9 Ų54.977%0.76629%0.292SS*.PPolyproline II helixtrans-69.8120.9168.9-168.8171.5177.900109.1
167L83.1Confident83.1Confident15 Ų1559.6 Ų59.68%0.07931%0.314CS..PPolyproline II helixtrans-99129.7177-61.1-177.6000110.4S130 M164 I165 M171 I172S130-L167 PolarHBondContact OG-N 3.08Å; S130-L167 PolarHBondContact OG-O 3.38Å; M164-L167 HydrophobicContact CE-CD1 3.3Å; M164-L167 HydrophobicContact CE-CG 4.17Å; M164-L167 HydrophobicContact SD-CD1 4.06Å; I165-L167 HydrophobicContact CD1-CD2 3.91Å; I165-L167 HydrophobicContact CG1-CD2 3.74Å; I165-L167 PolarHBondContact O-N 3.12Å; L167-M171 HydrophobicContact CD2-CE 4.35Å; L167-I172 HydrophobicContact CB-CD1 4.03Å; L167-I172 HydrophobicContact CB-CG1 3.62Å; L167-I172 HydrophobicContact CD1-CG1 3.9Å; L167-I172 HydrophobicContact CG-CG1 4.46Å
168S86.9Confident82.7Confident48 Ų4859.1 Ų59.134%0.33632%0.32SS..PPolyproline II helixtrans-70153.9168.872.90000110.5L170 M171 I172S168-L170 PolarHBondContact O-N 3.44Å; S168-L170 VanDerWaalsContact O-N 3.16Å; S168-M171 PolarHBondContact O-N 3.39Å; S168-M171 WeakPolarHBondContact OG-CG 3.47Å; S168-M171 PolarHBondContact OG-N 2.82Å; S168-I172 PolarHBondContact O-N 3.23Å
169P90.2Very high82.3Confident108 Ų10857.5 Ų57.570%0.70132%0.319SS*.Hα-helixtrans-53.5-36.7176.1-28.635.7000113.4I172 E173P169-I172 PolarHBondContact O-N 2.75Å; P169-E173 VanDerWaalsContact O-CB 3.31Å; P169-E173 WeakPolarHBondContact O-CB 3.15Å; P169-E173 PolarHBondContact O-N 3.47Å
170L88.3Confident81.6Confident149 Ų14958.2 Ų58.278%0.7832%0.318SS*.Hα-helixtrans-65.3-39.4176.1-70.3172.3000112.6S168 G174S168-L170 PolarHBondContact O-N 3.44Å; S168-L170 VanDerWaalsContact O-N 3.16Å; L170-G174 PolarHBondContact O-N 3.46Å
171M84.1Confident80.7Confident71 Ų7157.8 Ų57.835%0.3532%0.316SS..Hα-helixtrans-69-40176.4-74.1-169.9-66.900111.6L167 S168 Y175 L210L167-M171 HydrophobicContact CD2-CE 4.35Å; S168-M171 PolarHBondContact O-N 3.39Å; S168-M171 WeakPolarHBondContact OG-CG 3.47Å; S168-M171 PolarHBondContact OG-N 2.82Å; M171-Y175 WeakPolarHBondContact O-CB 3.45Å; M171-Y175 PolarHBondContact O-N 2.64Å; M171-L210 HydrophobicContact CB-CD1 4.08Å; M171-L210 HydrophobicContact CG-CD1 4.19Å
172I83.2Confident79.6Confident6 Ų656.4 Ų56.43%0.03131%0.307CS..Hα-helixtrans-61.2-52.9175.6-65.8176.2000109.6V123 L126 S127 L167 S168 P169 G174 Y175 V176V123-I172 HydrophobicContact CB-CG2 4.25Å; V123-I172 HydrophobicContact CG1-CG2 4Å; V123-I172 HydrophobicContact CG2-CG2 4.23Å; L126-I172 HydrophobicContact CB-CD1 4.49Å; L126-I172 HydrophobicContact CB-CG1 4.36Å; L126-I172 HydrophobicContact CB-CG2 3.83Å; L126-I172 HydrophobicContact CD1-CG2 4.02Å; S127-I172 WeakPolarHBondContact OG-CD1 3.39Å; L167-I172 HydrophobicContact CB-CD1 4.03Å; L167-I172 HydrophobicContact CB-CG1 3.62Å; L167-I172 HydrophobicContact CD1-CG1 3.9Å; L167-I172 HydrophobicContact CG-CG1 4.46Å; S168-I172 PolarHBondContact O-N 3.23Å; P169-I172 PolarHBondContact O-N 2.75Å; I172-G174 PolarHBondContact O-N 3.48Å; I172-Y175 WeakPolarHBondContact O-CB 3.49Å; I172-Y175 PolarHBondContact O-N 3.18Å; I172-Y175 VanDerWaalsContact O-N 3.11Å; I172-V176 HydrophobicContact CG2-CG2 4.46Å; I172-V176 WeakPolarHBondContact O-CG2 3.47Å; I172-V176 PolarHBondContact O-N 2.93Å
173E86.6Confident78.3Confident64 Ų6464.2 Ų64.230%0.29934%0.337SS..Hα-helixtrans-59.7-47.2-178.8-174.659-149.800111.3H119 P169 Y175 V176 Q177H119-E173 IonicContact CE1-OE1 3.27Å; H119-E173 PolarHBondContact CE1-OE1 3.04Å; H119-E173 IonicContact CE1-OE2 2.73Å; H119-E173 VanDerWaalsContact NE2-CD 3.26Å; H119-E173 IonicContact NE2-OE1 3.74Å; H119-E173 PolarHBondContact NE2-OE1 3.35Å; H119-E173 IonicContact NE2-OE2 3.95Å; H119-E173 PolarHBondContact NE2-OE2 2.76Å; P169-E173 VanDerWaalsContact O-CB 3.31Å; P169-E173 WeakPolarHBondContact O-CB 3.15Å; P169-E173 PolarHBondContact O-N 3.47Å; E173-Y175 VanDerWaalsContact C-N 3.29Å; E173-Y175 PolarHBondContact O-N 3.43Å; E173-V176 PolarHBondContact O-N 2.82Å; E173-Q177 WeakPolarHBondContact O-CB 3.5Å; E173-Q177 VanDerWaalsContact O-CG 3.25Å; E173-Q177 WeakPolarHBondContact O-CG 3.3Å; E173-Q177 PolarHBondContact O-N 2.89Å; E173-Q177 PolarHBondContact OE1-NE2 3.16Å
174G80.3Confident76.7Confident30 Ų3061.4 Ų61.431%0.30933%0.327SS..Hα-helixtrans-59.9-36.8175.300000113.2L170 I172 S178L170-G174 PolarHBondContact O-N 3.46Å; I172-G174 PolarHBondContact O-N 3.48Å; G174-S178 PolarHBondContact O-N 3.13Å; G174-S178 VanDerWaalsContact O-N 3.12Å
175Y75Confident74.5Confident8 Ų863.1 Ų63.13%0.03134%0.339CS..Hα-helixtrans-67.7-44.9176.2-173.7-132.6000111.7L126 M171 I172 E173 Q177 S178 E180 P181 V208 L210L126-Y175 HydrophobicContact CD1-CD1 3.66Å; L126-Y175 HydrophobicContact CD1-CE1 4.3Å; L126-Y175 HydrophobicContact CD2-CD1 4.05Å; L126-Y175 HydrophobicContact CD2-CE1 4.08Å; M171-Y175 WeakPolarHBondContact O-CB 3.45Å; M171-Y175 PolarHBondContact O-N 2.64Å; I172-Y175 WeakPolarHBondContact O-CB 3.49Å; I172-Y175 PolarHBondContact O-N 3.18Å; I172-Y175 VanDerWaalsContact O-N 3.11Å; E173-Y175 VanDerWaalsContact C-N 3.29Å; E173-Y175 PolarHBondContact O-N 3.43Å; Y175-Q177 VanDerWaalsContact C-N 3.33Å; Y175-Q177 PolarHBondContact O-N 3.12Å; Y175-S178 WeakPolarHBondContact O-CB 3.26Å; Y175-S178 PolarHBondContact O-N 3.25Å; Y175-S178 PolarHBondContact O-OG 3.46Å; Y175-E180 HydrophobicContact CE2-CB 3.77Å; Y175-E180 WeakPolarHBondContact CE2-OE2 3.31Å; Y175-P181 HydrophobicContact CD1-CG 3.53Å; Y175-P181 HydrophobicContact CD2-CG 4.44Å; Y175-P181 HydrophobicContact CE1-CG 3.43Å; Y175-P181 VanDerWaalsContact CE1-CG 3.43Å; Y175-P181 HydrophobicContact CE2-CG 4.34Å; Y175-P181 HydrophobicContact CG-CG 4.04Å; Y175-P181 WeakPolarHBondContact O-CD 3.49Å; Y175-V208 HydrophobicContact CD1-CG1 3.81Å; Y175-V208 HydrophobicContact CD2-CG1 3.34Å; Y175-V208 HydrophobicContact CE1-CG1 3.76Å; Y175-V208 HydrophobicContact CE2-CG1 3.3Å; Y175-V208 HydrophobicContact CG-CG1 3.62Å; Y175-L210 HydrophobicContact CD2-CD2 3.93Å; Y175-L210 HydrophobicContact CG-CD2 4.23Å
176V81.5Confident71.9Confident4 Ų470 Ų702%0.02436%0.361CS..Hα-helixtrans-64.9-39.8178-175.10000111.1H119 A122 V123 L126 I172 E173 S178 G179 P181H119-V176 HydrophobicContact CB-CG1 4.33Å; H119-V176 VanDerWaalsContact CE1-CG1 3.46Å; H119-V176 WeakPolarHBondContact CE1-CG1 3.44Å; H119-V176 WeakPolarHBondContact ND1-CG1 3.38Å; A122-V176 HydrophobicContact CB-CB 4.47Å; A122-V176 HydrophobicContact CB-CG1 3.72Å; A122-V176 HydrophobicContact CB-CG2 3.8Å; V123-V176 HydrophobicContact CG2-CB 4.35Å; V123-V176 HydrophobicContact CG2-CG2 3.86Å; L126-V176 HydrophobicContact CD1-CG2 3.52Å; I172-V176 HydrophobicContact CG2-CG2 4.46Å; I172-V176 WeakPolarHBondContact O-CG2 3.47Å; I172-V176 PolarHBondContact O-N 2.93Å; E173-V176 PolarHBondContact O-N 2.82Å; V176-S178 VanDerWaalsContact C-N 3.29Å; V176-S178 PolarHBondContact O-N 3.27Å; V176-G179 PolarHBondContact O-N 3.27Å; V176-P181 HydrophobicContact CG2-CG 4.38Å
177Q82.5Confident69.1Low134 Ų13466.2 Ų66.263%0.62635%0.345SS*.Hα-helixtrans-64.9-28.5176.8-73.3178.72.500113.8E173 Y175 G179E173-Q177 WeakPolarHBondContact O-CB 3.5Å; E173-Q177 VanDerWaalsContact O-CG 3.25Å; E173-Q177 WeakPolarHBondContact O-CG 3.3Å; E173-Q177 PolarHBondContact O-N 2.89Å; E173-Q177 PolarHBondContact OE1-NE2 3.16Å; Y175-Q177 VanDerWaalsContact C-N 3.33Å; Y175-Q177 PolarHBondContact O-N 3.12Å; Q177-G179 PolarHBondContact O-N 2.97Å
178S78.8Confident66.5Low66 Ų6666.1 Ų66.146%0.46235%0.346SS..THydrogen-bonded Turntrans-61.4-16.1173780000112.7G174 Y175 V176 E180G174-S178 PolarHBondContact O-N 3.13Å; G174-S178 VanDerWaalsContact O-N 3.12Å; Y175-S178 WeakPolarHBondContact O-CB 3.26Å; Y175-S178 PolarHBondContact O-N 3.25Å; Y175-S178 PolarHBondContact O-OG 3.46Å; V176-S178 VanDerWaalsContact C-N 3.29Å; V176-S178 PolarHBondContact O-N 3.27Å; S178-E180 PolarHBondContact O-N 2.88Å; S178-E180 PolarHBondContact OG-N 3.4Å
179G74.3Confident64.2Low23 Ų2364.8 Ų64.824%0.23734%0.335CS..SBendtrans77.1-9.6-175.900000112.8V176 Q177 M182 Y183V176-G179 PolarHBondContact O-N 3.27Å; Q177-G179 PolarHBondContact O-N 2.97Å; G179-M182 CarbonylContact O-C 3.49Å; G179-M182 WeakPolarHBondContact O-CA 3.25Å; G179-M182 PolarHBondContact O-N 2.91Å; G179-Y183 WeakPolarHBondContact O-CB 3.49Å; G179-Y183 PolarHBondContact O-N 2.89Å
180E67.4Low61.7Low69 Ų6961.3 Ų61.332%0.32231%0.309SS..Hα-helixtrans-53.7-46179.9-75.3-165.3-175.700113.3Y175 S178 M182 Y183 V184Y175-E180 HydrophobicContact CE2-CB 3.77Å; Y175-E180 WeakPolarHBondContact CE2-OE2 3.31Å; S178-E180 PolarHBondContact O-N 2.88Å; S178-E180 PolarHBondContact OG-N 3.4Å; E180-M182 PolarHBondContact O-N 3.35Å; E180-Y183 PolarHBondContact O-N 3.29Å; E180-Y183 VanDerWaalsContact O-N 3.13Å; E180-V184 WeakPolarHBondContact O-CG2 3.41Å; E180-V184 PolarHBondContact O-N 2.9Å
181P59.5Low59.4Low10 Ų1055.3 Ų55.37%0.06528%0.279CS..Hα-helixtrans-58.1-32.9175.1-2838.6000113.5A122 L126 Y175 V176A122-P181 HydrophobicContact CB-CB 4.32Å; L126-P181 HydrophobicContact CD1-CG 4.45Å; Y175-P181 HydrophobicContact CD1-CG 3.53Å; Y175-P181 HydrophobicContact CD2-CG 4.44Å; Y175-P181 HydrophobicContact CE1-CG 3.43Å; Y175-P181 VanDerWaalsContact CE1-CG 3.43Å; Y175-P181 HydrophobicContact CE2-CG 4.34Å; Y175-P181 HydrophobicContact CG-CG 4.04Å; Y175-P181 WeakPolarHBondContact O-CD 3.49Å; V176-P181 HydrophobicContact CG2-CG 4.38Å
182M59.4Low57.4Low62 Ų6252.6 Ų52.631%0.30527%0.266SS..Hα-helixtrans-88.7-24.4178.7-60.2-60.1-71.700112.2P116 G179 E180 V184 S185P116-M182 HydrophobicContact CB-SD 4.16Å; P116-M182 HydrophobicContact CG-SD 3.85Å; G179-M182 CarbonylContact O-C 3.49Å; G179-M182 WeakPolarHBondContact O-CA 3.25Å; G179-M182 PolarHBondContact O-N 2.91Å; E180-M182 PolarHBondContact O-N 3.35Å; M182-V184 VanDerWaalsContact C-N 3.35Å; M182-S185 WeakPolarHBondContact O-CA 2.99Å; M182-S185 WeakPolarHBondContact O-CB 3.36Å; M182-S185 PolarHBondContact O-N 2.84Å; M182-S185 PolarHBondContact O-OG 3.11Å
183Y50.4Low55.2Low166 Ų16656 Ų5665%0.65129%0.287SS*.Hα-helixtrans-75.7-32.4-176.3-145.1-94.9000111.2G179 E180 S185 R186G179-Y183 WeakPolarHBondContact O-CB 3.49Å; G179-Y183 PolarHBondContact O-N 2.89Å; E180-Y183 PolarHBondContact O-N 3.29Å; E180-Y183 VanDerWaalsContact O-N 3.13Å; Y183-S185 PolarHBondContact O-N 3.34Å; Y183-S185 VanDerWaalsContact O-N 3.1Å; Y183-R186 PolarHBondContact O-N 3.17Å
184V48.5Very low52.6Low24 Ų2453.8 Ų53.815%0.14528%0.279CS..THydrogen-bonded Turntrans-57.5-15.7163.6174.10000112.1E180 M182 N189 F190E180-V184 WeakPolarHBondContact O-CG2 3.41Å; E180-V184 PolarHBondContact O-N 2.9Å; M182-V184 VanDerWaalsContact C-N 3.35Å; V184-N189 VanDerWaalsContact CG1-O 3.27Å; V184-N189 WeakPolarHBondContact CG1-O 3.32Å; V184-F190 VanDerWaalsContact CG1-CA 3.45Å
185S32.8Very low50.3Low36 Ų3654.4 Ų54.425%0.25227%0.274SS..THydrogen-bonded Turntrans-73.1-30.9177.479.80000114.1K115 M182 Y183K115-S185 PolarHBondContact NZ-O 2.98Å; M182-S185 WeakPolarHBondContact O-CA 2.99Å; M182-S185 WeakPolarHBondContact O-CB 3.36Å; M182-S185 PolarHBondContact O-N 2.84Å; M182-S185 PolarHBondContact O-OG 3.11Å; Y183-S185 PolarHBondContact O-N 3.34Å; Y183-S185 VanDerWaalsContact O-N 3.1Å
186R28.7Very low48.2Very low213 Ų21358 Ų5880%0.80429%0.293SS*.THydrogen-bonded Turntrans-85.8-18.8-173.8-69.7-172.8180-170.50.6114Y183Y183-R186 PolarHBondContact O-N 3.17Å
187L30Very low45.8Very low84 Ų8461.1 Ų61.144%0.4431%0.309SS..SBendtrans-119.4115.7179.2-66.6164.2000106.8P39 N189P39-L187 HydrophobicContact CG-CB 4.44Å; P39-L187 HydrophobicContact CG-CD1 3.98Å; P39-L187 HydrophobicContact CG-CD2 4.01Å; P39-L187 HydrophobicContact CG-CG 4.36Å; L187-N189 PolarHBondContact O-N 3.13Å
188S29.2Very low43.5Very low14 Ų1457.3 Ų57.310%0.09829%0.293CS..SBendtrans-41.3122.8-169.353.50000114T37 S38T37-S188 WeakPolarHBondContact OG1-CB 3.32Å; T37-S188 PolarHBondContact OG1-OG 2.83Å; S38-S188 WeakPolarHBondContact CB-O 3.4Å; S38-S188 PolarHBondContact N-OG 2.88Å; S38-S188 PolarHBondContact OG-O 2.87Å
189N38.1Very low41.3Very low20 Ų2059.3 Ų59.311%0.10731%0.307CS..SBendtrans100.4128.1166.7-61.7-99.4000118R41 D103 T104 V184 L187 S191R41-N189 VanDerWaalsContact CZ-ND2 3.34Å; R41-N189 PolarHBondContact NH1-ND2 2.87Å; R41-N189 PolarHBondContact NH2-ND2 2.85Å; R41-N189 PolarHBondContact NH2-OD1 2.73Å; D103-N189 PolarHBondContact OD1-OD1 2.94Å; T104-N189 PolarHBondContact N-OD1 3.17Å; V184-N189 VanDerWaalsContact CG1-O 3.27Å; V184-N189 WeakPolarHBondContact CG1-O 3.32Å; L187-N189 PolarHBondContact O-N 3.13Å; N189-S191 PolarHBondContact O-N 2.87Å
190F37.9Very low39.5Very low35 Ų3566.5 Ų66.515%0.15434%0.335CS..  trans-51.8123.4175.5-139.5-87.2000110.2V106 G114 K115 P116 I125 V184 F192V106-F190 HydrophobicContact CG2-CD1 4.13Å; V106-F190 HydrophobicContact CG2-CG 4.49Å; G114-F190 WeakPolarHBondContact O-CD2 3.42Å; G114-F190 WeakPolarHBondContact O-CE2 3.41Å; K115-F190 HydrophobicContact CG-CD2 4.46Å; P116-F190 VanDerWaalsContact CD-CE2 3.43Å; P116-F190 HydrophobicContact CG-CE2 4.19Å; P116-F190 HydrophobicContact CG-CZ 4.49Å; I125-F190 HydrophobicContact CG2-CZ 4.27Å; V184-F190 VanDerWaalsContact CG1-CA 3.45Å; F190-F192 HydrophobicContact CD1-CD2 4.41Å; F190-F192 HydrophobicContact CD1-CE2 4.02Å; F190-F192 HydrophobicContact CD1-CZ 4.38Å; F190-F192 HydrophobicContact CE1-CE1 4.49Å; F190-F192 AromaticContact CE1-CE2 3.94Å; F190-F192 HydrophobicContact CE1-CE2 3.94Å; F190-F192 AromaticContact CE1-CZ 3.85Å; F190-F192 HydrophobicContact CE1-CZ 3.85Å
191S38.6Very low38.1Very low22 Ų2268.3 Ų68.315%0.15434%0.343CS..  trans-129.4104.6-176.3170.90000108R40 N189 T193R40-S191 PolarHBondContact NH1-OG 2.69Å; N189-S191 PolarHBondContact O-N 2.87Å; S191-T193 PolarHBondContact O-N 3.22Å; S191-T193 PolarHBondContact O-OG1 2.83Å
192F42.7Very low36.9Very low15 Ų1579 Ų797%0.06638%0.382CS..  trans-69.9108.6157.1-71.1-78.1000106.8V106 L126 L129 H134 M164 F190 S194 V206V106-F192 HydrophobicContact CG1-CE2 4.42Å; V106-F192 HydrophobicContact CG2-CE2 3.95Å; L126-F192 HydrophobicContact CD2-CE1 4.1Å; L129-F192 HydrophobicContact CD1-CE2 4.3Å; L129-F192 HydrophobicContact CD1-CZ 3.67Å; H134-F192 AromaticContact NE2-CE2 3.87Å; M164-F192 HydrophobicContact CE-CE1 4.19Å; F190-F192 HydrophobicContact CD1-CD2 4.41Å; F190-F192 HydrophobicContact CD1-CE2 4.02Å; F190-F192 HydrophobicContact CD1-CZ 4.38Å; F190-F192 HydrophobicContact CE1-CE1 4.49Å; F190-F192 AromaticContact CE1-CE2 3.94Å; F190-F192 HydrophobicContact CE1-CE2 3.94Å; F190-F192 AromaticContact CE1-CZ 3.85Å; F190-F192 HydrophobicContact CE1-CZ 3.85Å; F192-S194 PolarHBondContact O-N 3.45Å; F192-V206 HydrophobicContact CB-CG1 4.27Å; F192-V206 HydrophobicContact CB-CG2 4.26Å; F192-V206 HydrophobicContact CD1-CG1 4.15Å; F192-V206 HydrophobicContact CG-CG1 4.46Å
193T37.5Very low35.8Very low78 Ų7882.7 Ų82.748%0.47939%0.393SS..SBendtrans-77.5-0-166.1-18.60000114S191S191-T193 PolarHBondContact O-N 3.22Å; S191-T193 PolarHBondContact O-OG1 2.83Å
194S30.8Very low35.1Very low17 Ų1776.7 Ų76.712%0.11937%0.369CS..  trans-151.5105.2178.821.80000111.8F192 V206 I207 Q209F192-S194 PolarHBondContact O-N 3.45Å; S194-V206 WeakPolarHBondContact O-CA 3.4Å; S194-I207 CarbonylContact C-O 3.6Å; S194-I207 WeakPolarHBondContact CB-O 3.17Å; S194-I207 CarbonylContact O-C 3.54Å; S194-I207 PolarHBondContact O-N 2.9Å; S194-I207 VanDerWaalsContact O-N 3.12Å; S194-I207 PolarHBondContact OG-O 3.36Å; S194-Q209 WeakPolarHBondContact OG-CB 3.4Å; S194-Q209 PolarHBondContact OG-N 2.82Å
195I32.5Very low34.3Very low43 Ų4376.8 Ų76.822%0.22137%0.37CS..EExtended strand (participates in β ladder)trans-110.4112.1172.5-60.9173000106.7K3 W204 V206K3-I195 HydrophobicContact CD-CD1 3.9Å; K3-I195 HydrophobicContact CD-CG2 4.41Å; I195-W204 HydrophobicContact CG2-CB 4.19Å; I195-W204 HydrophobicContact CG2-CD2 4.33Å; I195-W204 HydrophobicContact CG2-CE3 3.42Å; I195-W204 VanDerWaalsContact CG2-CE3 3.42Å; I195-W204 HydrophobicContact CG2-CZ3 3.94Å; I195-V206 HydrophobicContact CG1-CG2 3.72Å
196I30.6Very low34.5Very low84 Ų8475.1 Ų75.143%0.43136%0.358SS..EExtended strand (participates in β ladder)trans-95131.2171-67.5-179.1000108.2N198 V205 I207I196-N198 PolarHBondContact O-N 3.29Å; I196-V205 CarbonylContact C-O 3.58Å; I196-V205 PolarHBondContact N-O 3.14Å; I196-V205 CarbonylContact O-C 3.54Å; I196-V205 PolarHBondContact O-N 2.76Å; I196-I207 HydrophobicContact CB-CB 4.49Å; I196-I207 HydrophobicContact CB-CD1 3.91Å; I196-I207 HydrophobicContact CB-CG1 4.07Å; I196-I207 HydrophobicContact CD1-CB 3.86Å; I196-I207 HydrophobicContact CD1-CD1 3.48Å; I196-I207 VanDerWaalsContact CD1-CD1 3.48Å; I196-I207 HydrophobicContact CD1-CG1 3.99Å; I196-I207 HydrophobicContact CD1-CG2 4.24Å; I196-I207 HydrophobicContact CG1-CB 4.21Å; I196-I207 HydrophobicContact CG1-CD1 4.1Å; I196-I207 HydrophobicContact CG1-CG1 4.26Å; I196-I207 HydrophobicContact CG2-CD1 4.19Å
197L31.4Very low34.6Very low68 Ų6868.1 Ų68.136%0.35634%0.336SS..EExtended strand (participates in β ladder)trans-70.9124.1170.8-87.1156.8000108.4L2 S199 W204L2-L197 HydrophobicContact CB-CD1 4.28Å; L2-L197 HydrophobicContact CD1-CD1 3.8Å; L197-S199 PolarHBondContact O-N 3.29Å; L197-W204 HydrophobicContact CB-CE3 4.45Å; L197-W204 HydrophobicContact CB-CZ3 4.45Å; L197-W204 HydrophobicContact CD1-CE3 4.42Å; L197-W204 HydrophobicContact CD1-CH2 3.76Å; L197-W204 HydrophobicContact CD1-CZ3 3.7Å; L197-W204 HydrophobicContact CD2-CD2 3.47Å; L197-W204 VanDerWaalsContact CD2-CD2 3.47Å; L197-W204 HydrophobicContact CD2-CE3 3.25Å; L197-W204 HydrophobicContact CD2-CG 4.48Å; L197-W204 HydrophobicContact CD2-CH2 3.45Å; L197-W204 VanDerWaalsContact CD2-CH2 3.45Å; L197-W204 HydrophobicContact CD2-CZ2 3.61Å; L197-W204 HydrophobicContact CD2-CZ3 3.31Å; L197-W204 HydrophobicContact CG-CD2 4.19Å; L197-W204 HydrophobicContact CG-CE3 3.43Å; L197-W204 VanDerWaalsContact CG-CE3 3.43Å; L197-W204 HydrophobicContact CG-CH2 3.64Å; L197-W204 HydrophobicContact CG-CZ2 4.32Å; L197-W204 HydrophobicContact CG-CZ3 3.17Å
198N34.9Very low34.8Very low54 Ų5464.8 Ų64.829%0.28932%0.319SS..EExtended strand (participates in β ladder)trans-81.2105.7155-174.1-23.1000106.8I196 E200 R203 V205I196-N198 PolarHBondContact O-N 3.29Å; N198-E200 PolarHBondContact O-N 2.65Å; N198-E200 WeakPolarHBondContact OD1-CB 3.25Å; N198-E200 PolarHBondContact OD1-N 2.98Å; N198-R203 PolarHBondContact N-O 3.13Å; N198-R203 VanDerWaalsContact N-O 3.11Å; N198-V205 HydrophobicContact CB-CG2 3.82Å
199S32.6Very low34.7Very low109 Ų10969.9 Ų69.976%0.76234%0.341SS*.THydrogen-bonded Turntrans-65.2-21.8-178.848.90000113.5L197L197-S199 PolarHBondContact O-N 3.29Å
200E35.2Very low34.2Very low174 Ų17471.6 Ų71.681%0.81335%0.35SS*.THydrogen-bonded Turntrans-79.6-34.2-175.2-61.7-173.1159.600112.5N198N198-E200 PolarHBondContact O-N 2.65Å; N198-E200 WeakPolarHBondContact OD1-CB 3.25Å; N198-E200 PolarHBondContact OD1-N 2.98Å
201E38.3Very low33.6Very low107 Ų10773.3 Ų73.350%0.537%0.366SS..THydrogen-bonded Turntrans-104.1-0.3-174.3-66.2-159.9142.700114.9R203E201-R203 HydrophobicContact CB-CB 4Å; E201-R203 HydrophobicContact CB-CG 3.95Å; E201-R203 VanDerWaalsContact CD-NH1 3.27Å; E201-R203 PolarHBondContact O-N 2.58Å; E201-R203 VanDerWaalsContact O-N 3.09Å; E201-R203 IonicContact OE1-NH1 2.88Å; E201-R203 PolarHBondContact OE1-NH1 2.62Å; E201-R203 WeakPolarHBondContact OE2-CD 3.09Å; E201-R203 IonicContact OE2-CZ 2.82Å; E201-R203 IonicContact OE2-NE 3.73Å; E201-R203 IonicContact OE2-NH1 2.63Å; E201-R203 PolarHBondContact OE2-NH1 2.87Å
202R35.9Very low33Very low234 Ų23479.3 Ų79.388%0.88340%0.395SS*.THydrogen-bonded Turntrans49.129.8-163.2-63.5-174.5173.1-177.5-0.8112.2
203R34.5Very low32.2Very low140 Ų14086.4 Ų86.453%0.52843%0.426SS..EExtended strand (participates in β ladder)trans-111.4151.6177.9-69.2-172.4-165.8143.3-4.2110.3N198 E201N198-R203 PolarHBondContact N-O 3.13Å; N198-R203 VanDerWaalsContact N-O 3.11Å; E201-R203 HydrophobicContact CB-CB 4Å; E201-R203 HydrophobicContact CB-CG 3.95Å; E201-R203 VanDerWaalsContact CD-NH1 3.27Å; E201-R203 PolarHBondContact O-N 2.58Å; E201-R203 VanDerWaalsContact O-N 3.09Å; E201-R203 IonicContact OE1-NH1 2.88Å; E201-R203 PolarHBondContact OE1-NH1 2.62Å; E201-R203 WeakPolarHBondContact OE2-CD 3.09Å; E201-R203 IonicContact OE2-CZ 2.82Å; E201-R203 IonicContact OE2-NE 3.73Å; E201-R203 IonicContact OE2-NH1 2.63Å; E201-R203 PolarHBondContact OE2-NH1 2.87Å
204W36.6Very low31.6Very low40 Ų4088 Ų8815%0.15244%0.44CS..EExtended strand (participates in β ladder)trans-103.5120-175.4-64.8105.3000110L2 K3 K163 I195 L197L2-W204 HydrophobicContact CB-CH2 3.35Å; L2-W204 HydrophobicContact CB-CZ2 3.62Å; K3-W204 HydrophobicContact CB-CH2 4.33Å; K3-W204 HydrophobicContact CB-CZ2 4.32Å; K3-W204 HydrophobicContact CD-CD2 3.95Å; K3-W204 HydrophobicContact CD-CE3 4.13Å; K3-W204 HydrophobicContact CD-CG 4.22Å; K3-W204 HydrophobicContact CD-CH2 4.36Å; K3-W204 HydrophobicContact CD-CZ2 4.27Å; K3-W204 HydrophobicContact CD-CZ3 4.27Å; K3-W204 HydrophobicContact CG-CD2 3.88Å; K3-W204 VanDerWaalsContact CG-CE2 3.44Å; K3-W204 HydrophobicContact CG-CE3 4.1Å; K3-W204 HydrophobicContact CG-CG 4.49Å; K3-W204 HydrophobicContact CG-CH2 3.48Å; K3-W204 VanDerWaalsContact CG-CH2 3.48Å; K3-W204 HydrophobicContact CG-CZ2 3.29Å; K3-W204 HydrophobicContact CG-CZ3 3.87Å; K3-W204 VanDerWaalsContact N-CH2 3.28Å; K3-W204 VanDerWaalsContact NZ-CG 3.26Å; K163-W204 WeakPolarHBondContact CB-O 3.49Å; K163-W204 PolarHBondContact N-O 3.03Å; I195-W204 HydrophobicContact CG2-CB 4.19Å; I195-W204 HydrophobicContact CG2-CD2 4.33Å; I195-W204 HydrophobicContact CG2-CE3 3.42Å; I195-W204 VanDerWaalsContact CG2-CE3 3.42Å; I195-W204 HydrophobicContact CG2-CZ3 3.94Å; L197-W204 HydrophobicContact CB-CE3 4.45Å; L197-W204 HydrophobicContact CB-CZ3 4.45Å; L197-W204 HydrophobicContact CD1-CE3 4.42Å; L197-W204 HydrophobicContact CD1-CH2 3.76Å; L197-W204 HydrophobicContact CD1-CZ3 3.7Å; L197-W204 HydrophobicContact CD2-CD2 3.47Å; L197-W204 VanDerWaalsContact CD2-CD2 3.47Å; L197-W204 HydrophobicContact CD2-CE3 3.25Å; L197-W204 HydrophobicContact CD2-CG 4.48Å; L197-W204 HydrophobicContact CD2-CH2 3.45Å; L197-W204 VanDerWaalsContact CD2-CH2 3.45Å; L197-W204 HydrophobicContact CD2-CZ2 3.61Å; L197-W204 HydrophobicContact CD2-CZ3 3.31Å; L197-W204 HydrophobicContact CG-CD2 4.19Å; L197-W204 HydrophobicContact CG-CE3 3.43Å; L197-W204 VanDerWaalsContact CG-CE3 3.43Å; L197-W204 HydrophobicContact CG-CH2 3.64Å; L197-W204 HydrophobicContact CG-CZ2 4.32Å; L197-W204 HydrophobicContact CG-CZ3 3.17Å
205V31.2Very low31.5Very low26 Ų2693.2 Ų93.216%0.15847%0.467CS..EExtended strand (participates in β ladder)trans-101.8117.1178.5-177.30000107.7K163 I165 I196 N198 I207K163-V205 CarbonylContact O-C 3.56Å; K163-V205 WeakPolarHBondContact O-CA 3.28Å; I165-V205 HydrophobicContact CG2-CG1 3.56Å; I196-V205 CarbonylContact C-O 3.58Å; I196-V205 PolarHBondContact N-O 3.14Å; I196-V205 CarbonylContact O-C 3.54Å; I196-V205 PolarHBondContact O-N 2.76Å; N198-V205 HydrophobicContact CB-CG2 3.82Å; V205-I207 HydrophobicContact CG1-CG1 3.98Å; V205-I207 PolarHBondContact O-N 2.82Å
206V36.9Very low31.2Very low1 Ų194.3 Ų94.31%0.00649%0.489CS..EExtended strand (participates in β ladder)trans-74112.3164.3167.20000106.9V162 K163 F192 S194 I195 V208V162-V206 HydrophobicContact CG1-CB 4.18Å; V162-V206 HydrophobicContact CG1-CG2 3.14Å; K163-V206 PolarHBondContact O-N 2.93Å; F192-V206 HydrophobicContact CB-CG1 4.27Å; F192-V206 HydrophobicContact CB-CG2 4.26Å; F192-V206 HydrophobicContact CD1-CG1 4.15Å; F192-V206 HydrophobicContact CG-CG1 4.46Å; S194-V206 WeakPolarHBondContact O-CA 3.4Å; I195-V206 HydrophobicContact CG1-CG2 3.72Å; V206-V208 HydrophobicContact CG1-CG2 3.88Å
207I31.5Very low30.9Very low65 Ų6599.1 Ų99.133%0.33351%0.514SS..  trans-97.5104164.9-65.5-170.6000103.7S194 I196 V205 Q209S194-I207 CarbonylContact C-O 3.6Å; S194-I207 WeakPolarHBondContact CB-O 3.17Å; S194-I207 CarbonylContact O-C 3.54Å; S194-I207 PolarHBondContact O-N 2.9Å; S194-I207 VanDerWaalsContact O-N 3.12Å; S194-I207 PolarHBondContact OG-O 3.36Å; I196-I207 HydrophobicContact CB-CB 4.49Å; I196-I207 HydrophobicContact CB-CD1 3.91Å; I196-I207 HydrophobicContact CB-CG1 4.07Å; I196-I207 HydrophobicContact CD1-CB 3.86Å; I196-I207 HydrophobicContact CD1-CD1 3.48Å; I196-I207 VanDerWaalsContact CD1-CD1 3.48Å; I196-I207 HydrophobicContact CD1-CG1 3.99Å; I196-I207 HydrophobicContact CD1-CG2 4.24Å; I196-I207 HydrophobicContact CG1-CB 4.21Å; I196-I207 HydrophobicContact CG1-CD1 4.1Å; I196-I207 HydrophobicContact CG1-CG1 4.26Å; I196-I207 HydrophobicContact CG2-CD1 4.19Å; V205-I207 HydrophobicContact CG1-CG1 3.98Å; V205-I207 PolarHBondContact O-N 2.82Å; I207-Q209 PolarHBondContact O-N 3.23Å
208V34.1Very low30.7Very low14 Ų14105.8 Ų105.89%0.08556%0.558CS.*  trans-64.1104.9170.2-178.80000106.4M164 Y175 V206 L210M164-V208 HydrophobicContact CE-CG2 3.66Å; Y175-V208 HydrophobicContact CD1-CG1 3.81Å; Y175-V208 HydrophobicContact CD2-CG1 3.34Å; Y175-V208 HydrophobicContact CE1-CG1 3.76Å; Y175-V208 HydrophobicContact CE2-CG1 3.3Å; Y175-V208 HydrophobicContact CG-CG1 3.62Å; V206-V208 HydrophobicContact CG1-CG2 3.88Å; V208-L210 HydrophobicContact CG1-CG 4.3Å; V208-L210 PolarHBondContact O-N 3.32Å
209Q27.2Very low30.5Very low122 Ų122108.4 Ų108.457%0.5757%0.572SS**  trans-71.883.1176-169.5160.4-18.800108.3S194 I207 S211S194-Q209 WeakPolarHBondContact OG-CB 3.4Å; S194-Q209 PolarHBondContact OG-N 2.82Å; I207-Q209 PolarHBondContact O-N 3.23Å; Q209-S211 VanDerWaalsContact C-N 3.28Å; Q209-S211 PolarHBondContact O-N 3.38Å
210L27.3Very low30.4Very low55 Ų55108.4 Ų108.429%0.28856%0.562SS.*  trans-6492.8165.2-79163.8000107.2M171 Y175 V208 I212M171-L210 HydrophobicContact CB-CD1 4.08Å; M171-L210 HydrophobicContact CG-CD1 4.19Å; Y175-L210 HydrophobicContact CD2-CD2 3.93Å; Y175-L210 HydrophobicContact CG-CD2 4.23Å; V208-L210 HydrophobicContact CG1-CG 4.3Å; V208-L210 PolarHBondContact O-N 3.32Å; L210-I212 HydrophobicContact CB-CG1 4.42Å; L210-I212 PolarHBondContact O-N 3.1Å
211S25Very low30.1Very low72 Ų72104.7 Ų104.750%0.50355%0.548SS..  trans-67.687.4160.6-62.50000106.5Q209 F213Q209-S211 VanDerWaalsContact C-N 3.28Å; Q209-S211 PolarHBondContact O-N 3.38Å; S211-F213 PolarHBondContact O-N 3.25Å
212I25.4Very low29.7Very low147 Ų147104.6 Ų104.675%0.75455%0.551SS**  trans-64.193.7166.2-55.8172.1000104.9L210 S214L210-I212 HydrophobicContact CB-CG1 4.42Å; L210-I212 PolarHBondContact O-N 3.1Å; I212-S214 VanDerWaalsContact C-N 3.32Å; I212-S214 PolarHBondContact O-N 3.4Å
213F27.5Very low29.3Very low164 Ų16496.5 Ų96.572%0.71953%0.53SS*.  trans-61.7104.1160.5-88.8-84.5000106.1S211 N215S211-F213 PolarHBondContact O-N 3.25Å; F213-N215 HydrophobicContact CB-CB 4.49Å; F213-N215 PolarHBondContact O-N 3.11Å
214S24.5Very low28.9Very low111 Ų11193.6 Ų93.678%0.77653%0.53SS*.  trans-64.278.1157.961.30000107.8I212I212-S214 VanDerWaalsContact C-N 3.32Å; I212-S214 PolarHBondContact O-N 3.4Å
215N29.5Very low28.4Very low128 Ų12897.4 Ų97.468%0.68456%0.557SS**  trans-114.894.5171.7-82.2-20.2000108.6F213F213-N215 HydrophobicContact CB-CB 4.49Å; F213-N215 PolarHBondContact O-N 3.11Å
216G25.4Very low28.2Very low65 Ų65102.9 Ų102.967%0.6759%0.588SS**  trans63.481.9144.200000117.8
217L24.4Very low27.4Very low185 Ų185111.4 Ų111.497%0.96964%0.636SS**  trans-10477.7140.8-81.9169.5000108.1
218T27.6Very low27.1Very low209 Ų209115.6 Ų115.6100%1.28266%0.664SS**  trans-151.90143.940.90000106.5

Retrieved 218 of 218 residues in 66.2 ms (Link to these results)

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