A0A077Z9P7_TRITR Loading...

Serine/threonine-protein phosphatase

Probable phosphatase which plays a redundant role with gsp-4 in spermatogenesis by regulating sister chromatid segregation during meiosis. In addition, involved in sperm motility by controlling the dynamic disassembly of major sperm proteins (MSP) in the spermatozoan pseudopodium.

AlphaFold DB , UniProt , Accession A0A077Z9P7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 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
1M90.1Very high95.5Very high82 Ų8274.7 Ų74.740%0.40442%0.415SS..  0132.90-75.4-173.7-58.600109.5E5 R6 A9 Q33 S104 L105M1-E5 WeakPolarHBondContact CA-OE2 3.34Å; M1-E5 HydrophobicContact CB-CB 3.89Å; M1-E5 HydrophobicContact CG-CB 3.87Å; M1-E5 HydrophobicContact SD-CB 4.34Å; M1-R6 HydrophobicContact CE-CG 4.35Å; M1-A9 HydrophobicContact SD-CB 4.1Å; M1-Q33 HydrophobicContact CG-CG 4.48Å; M1-Q33 HydrophobicContact SD-CB 4.37Å; M1-Q33 HydrophobicContact SD-CG 4.28Å; M1-S104 WeakPolarHBondContact CE-O 3.38Å; M1-L105 HydrophobicContact CE-CD2 3.93Å; M1-L105 HydrophobicContact CE-CG 4.26Å
2N93.5Very high95.7Very high94 Ų9468.7 Ų68.750%0.50338%0.381SS..  trans-75.3175.5160.567.547.9000110.2S4 E5 R6N2-S4 PolarHBondContact O-N 2.82Å; N2-S4 WeakPolarHBondContact OD1-CB 3.44Å; N2-S4 PolarHBondContact OD1-N 3.49Å; N2-E5 PolarHBondContact N-OE2 3.19Å; N2-E5 PolarHBondContact ND2-OE2 2.93Å; N2-E5 PolarHBondContact O-N 3.48Å; N2-E5 PolarHBondContact OD1-N 3.45Å; N2-R6 PolarHBondContact O-N 2.81Å
3A94Very high95.6Very high74 Ų7464.4 Ų64.461%0.61236%0.357SS*.Hα-helixtrans-58.4-45.4-177.200000112.8E5 R6 D7A3-E5 PolarHBondContact O-N 2.88Å; A3-R6 WeakPolarHBondContact O-CB 3.24Å; A3-R6 PolarHBondContact O-N 2.96Å; A3-R6 VanDerWaalsContact O-N 3.1Å; A3-D7 PolarHBondContact O-N 3.13Å
4S95.8Very high95.4Very high88 Ų8868.6 Ų68.662%0.61538%0.375SS*.Hα-helixtrans-62.5-43.3179.1174.50000112.6N2 R6 D7 R8N2-S4 PolarHBondContact O-N 2.82Å; N2-S4 WeakPolarHBondContact OD1-CB 3.44Å; N2-S4 PolarHBondContact OD1-N 3.49Å; S4-R6 VanDerWaalsContact C-N 3.27Å; S4-R6 PolarHBondContact O-N 3.39Å; S4-D7 PolarHBondContact O-N 3.25Å; S4-R8 WeakPolarHBondContact O-CB 3.43Å; S4-R8 PolarHBondContact O-N 3.02Å
5E97.3Very high95.2Very high37 Ų3768.4 Ų68.417%0.17337%0.369CS..Hα-helixtrans-61.5-38.3174.2-68.7174133.300111.2M1 N2 A3 R8 A9 F29 Q33 K36M1-E5 WeakPolarHBondContact CA-OE2 3.34Å; M1-E5 HydrophobicContact CB-CB 3.89Å; M1-E5 HydrophobicContact CG-CB 3.87Å; M1-E5 HydrophobicContact SD-CB 4.34Å; N2-E5 PolarHBondContact N-OE2 3.19Å; N2-E5 PolarHBondContact ND2-OE2 2.93Å; N2-E5 PolarHBondContact O-N 3.48Å; N2-E5 PolarHBondContact OD1-N 3.45Å; A3-E5 PolarHBondContact O-N 2.88Å; E5-R8 PolarHBondContact O-N 2.86Å; E5-A9 WeakPolarHBondContact O-CB 3.34Å; E5-A9 PolarHBondContact O-N 3.07Å; E5-F29 HydrophobicContact CB-CE2 4.39Å; E5-F29 HydrophobicContact CB-CZ 4.17Å; E5-F29 HydrophobicContact CG-CE2 4.23Å; E5-F29 WeakPolarHBondContact O-CZ 3.2Å; E5-Q33 PolarHBondContact OE1-NE2 3.33Å; E5-K36 IonicContact OE1-NZ 3.26Å; E5-K36 PolarHBondContact OE1-NZ 3.33Å
6R96.6Very high95Very high132 Ų13264.6 Ų64.650%0.49835%0.348SS..Hα-helixtrans-67.2-44.3179-159.6175.2-150.2171.56.9111.9M1 N2 A3 S4 R8 A9 A10 L105M1-R6 HydrophobicContact CE-CG 4.35Å; N2-R6 PolarHBondContact O-N 2.81Å; A3-R6 WeakPolarHBondContact O-CB 3.24Å; A3-R6 PolarHBondContact O-N 2.96Å; A3-R6 VanDerWaalsContact O-N 3.1Å; S4-R6 VanDerWaalsContact C-N 3.27Å; S4-R6 PolarHBondContact O-N 3.39Å; R6-R8 VanDerWaalsContact C-N 3.33Å; R6-A9 PolarHBondContact O-N 2.93Å; R6-A10 WeakPolarHBondContact O-CB 3.33Å; R6-A10 PolarHBondContact O-N 3.16Å; R6-L105 HydrophobicContact CG-CD2 3.72Å; R6-L105 PolarHBondContact NH2-O 3.33Å; R6-L105 VanDerWaalsContact NH2-O 3.16Å
7D97Very high94.3Very high113 Ų11365.9 Ų65.960%0.60435%0.348SS*.Hα-helixtrans-64-40.5176.7-67-20.3000111A3 S4 A10 S11A3-D7 PolarHBondContact O-N 3.13Å; S4-D7 PolarHBondContact O-N 3.25Å; D7-A10 PolarHBondContact O-N 3.04Å; D7-S11 PolarHBondContact O-N 3.17Å; D7-S11 PolarHBondContact O-OG 2.84Å
8R97.9Very high93.9Very high97 Ų9766.3 Ų66.337%0.36636%0.357SS..Hα-helixtrans-61.6-48.7173.6-172.5172.7179.1-167.2-5.1111.2S4 E5 R6 A10 S11 L12 N25 D26 F29S4-R8 WeakPolarHBondContact O-CB 3.43Å; S4-R8 PolarHBondContact O-N 3.02Å; E5-R8 PolarHBondContact O-N 2.86Å; R6-R8 VanDerWaalsContact C-N 3.33Å; R8-A10 VanDerWaalsContact C-N 3.34Å; R8-A10 PolarHBondContact O-N 2.94Å; R8-S11 PolarHBondContact O-N 3.17Å; R8-S11 PolarHBondContact O-OG 2.91Å; R8-L12 HydrophobicContact CG-CD1 4.35Å; R8-L12 WeakPolarHBondContact O-CG 3.25Å; R8-L12 PolarHBondContact O-N 3.09Å; R8-N25 PolarHBondContact NH2-O 3.47Å; R8-D26 IonicContact NH2-OD1 3.88Å; R8-F29 HydrophobicContact CB-CE1 4.06Å; R8-F29 HydrophobicContact CB-CZ 3.89Å; R8-F29 HydrophobicContact CG-CD1 4.15Å; R8-F29 HydrophobicContact CG-CE1 3.79Å; R8-F29 HydrophobicContact CG-CE2 4.47Å; R8-F29 HydrophobicContact CG-CZ 3.96Å
9A97.3Very high93.5Very high1 Ų170 Ų701%0.00837%0.371CS..Hα-helixtrans-59.9-41.6177.200000112.5M1 E5 R6 L12 L13 F29 L101 L105M1-A9 HydrophobicContact SD-CB 4.1Å; E5-A9 WeakPolarHBondContact O-CB 3.34Å; E5-A9 PolarHBondContact O-N 3.07Å; R6-A9 PolarHBondContact O-N 2.93Å; A9-L12 PolarHBondContact O-N 2.83Å; A9-L13 PolarHBondContact O-N 2.87Å; A9-L13 VanDerWaalsContact O-N 3.1Å; A9-F29 HydrophobicContact CB-CE1 4.29Å; A9-L101 HydrophobicContact CB-CD2 3.88Å; A9-L105 HydrophobicContact CB-CD1 4.27Å; A9-L105 HydrophobicContact CB-CD2 3.88Å; A9-L105 HydrophobicContact CB-CG 4.02Å
10A95.3Very high93.2Very high43 Ų4370.1 Ų70.136%0.35538%0.375SS..Hα-helixtrans-63.5-42.4176.100000112.3R6 D7 R8 L12 L13 M14R6-A10 WeakPolarHBondContact O-CB 3.33Å; R6-A10 PolarHBondContact O-N 3.16Å; D7-A10 PolarHBondContact O-N 3.04Å; R8-A10 VanDerWaalsContact C-N 3.34Å; R8-A10 PolarHBondContact O-N 2.94Å; A10-L12 VanDerWaalsContact C-N 3.29Å; A10-L12 PolarHBondContact O-N 3.3Å; A10-L13 WeakPolarHBondContact O-CB 3.01Å; A10-L13 PolarHBondContact O-N 3.02Å; A10-M14 PolarHBondContact O-N 3.22Å; A10-M14 VanDerWaalsContact O-N 3.16Å
11S96.3Very high93Very high61 Ų6171 Ų7143%0.42739%0.387SS..Hα-helixtrans-65.5-32.3175.967.80000112.9D7 R8 M14 K15D7-S11 PolarHBondContact O-N 3.17Å; D7-S11 PolarHBondContact O-OG 2.84Å; R8-S11 PolarHBondContact O-N 3.17Å; R8-S11 PolarHBondContact O-OG 2.91Å; S11-M14 WeakPolarHBondContact O-CB 3.45Å; S11-M14 PolarHBondContact O-N 3.46Å; S11-K15 PolarHBondContact O-N 2.87Å
12L97.5Very high93.3Very high2 Ų267.8 Ų67.81%0.0137%0.371CS..Hα-helixtrans-67.6-38.2173.9-69.6174.2000112.3R8 A9 A10 M14 K15 M16 F22 D26 F29 I30 L101R8-L12 HydrophobicContact CG-CD1 4.35Å; R8-L12 WeakPolarHBondContact O-CG 3.25Å; R8-L12 PolarHBondContact O-N 3.09Å; A9-L12 PolarHBondContact O-N 2.83Å; A10-L12 VanDerWaalsContact C-N 3.29Å; A10-L12 PolarHBondContact O-N 3.3Å; L12-M14 VanDerWaalsContact C-N 3.29Å; L12-M14 PolarHBondContact O-N 3.43Å; L12-K15 HydrophobicContact CD2-CD 4.1Å; L12-K15 WeakPolarHBondContact O-CB 3.4Å; L12-K15 PolarHBondContact O-N 2.79Å; L12-M16 WeakPolarHBondContact O-CG 3.42Å; L12-M16 PolarHBondContact O-N 2.97Å; L12-F22 HydrophobicContact CB-CE1 4.15Å; L12-F22 HydrophobicContact CD2-CD1 4.16Å; L12-F22 HydrophobicContact CD2-CE1 4.03Å; L12-D26 HydrophobicContact CD2-CB 3.68Å; L12-D26 WeakPolarHBondContact CD2-OD1 3.5Å; L12-F29 HydrophobicContact CD1-CD1 3.58Å; L12-F29 HydrophobicContact CD1-CE1 4.01Å; L12-I30 HydrophobicContact CD1-CD1 4.09Å; L12-I30 HydrophobicContact CD1-CG1 3.76Å; L12-L101 HydrophobicContact CB-CD1 3.96Å; L12-L101 HydrophobicContact CB-CD2 4.03Å; L12-L101 HydrophobicContact CD1-CD2 4.39Å
13L94.5Very high93.4Very high13 Ų1366.8 Ų66.87%0.06837%0.368CS..Hα-helixtrans-59.1-42.3169.6-78.1177.9000111.4A9 A10 K15 M16 Y17 L101 F102 L105A9-L13 PolarHBondContact O-N 2.87Å; A9-L13 VanDerWaalsContact O-N 3.1Å; A10-L13 WeakPolarHBondContact O-CB 3.01Å; A10-L13 PolarHBondContact O-N 3.02Å; L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 3.41Å; L13-M16 HydrophobicContact CD2-SD 4.31Å; L13-M16 WeakPolarHBondContact O-CB 3.32Å; L13-M16 PolarHBondContact O-N 3.39Å; L13-Y17 HydrophobicContact CB-CE2 4.18Å; L13-Y17 WeakPolarHBondContact O-CD2 3.4Å; L13-Y17 PolarHBondContact O-N 2.74Å; L13-Y17 VanDerWaalsContact O-N 3.15Å; L13-L101 HydrophobicContact CD2-CB 3.75Å; L13-L101 HydrophobicContact CD2-CD1 3.83Å; L13-L101 HydrophobicContact CD2-CG 4.42Å; L13-L101 HydrophobicContact CG-CB 4.04Å; L13-L101 HydrophobicContact CG-CD1 4.05Å; L13-F102 HydrophobicContact CD1-CD1 4.07Å; L13-F102 HydrophobicContact CD1-CE1 3.76Å; L13-F102 HydrophobicContact CD2-CD1 4.41Å; L13-F102 HydrophobicContact CD2-CE1 4.08Å; L13-F102 HydrophobicContact CD2-CE2 4.45Å; L13-F102 HydrophobicContact CD2-CZ 4.1Å; L13-L105 HydrophobicContact CD1-CD1 3.3Å; L13-L105 HydrophobicContact CG-CD1 4.11Å
14M92.2Very high93.6Very high124 Ų12466.9 Ų66.961%0.61136%0.356SS*.Hα-helixtrans-63.2-34176.3-63.7-59.2-70.400113.2A10 S11 L12 M16 Y17 S18A10-M14 PolarHBondContact O-N 3.22Å; A10-M14 VanDerWaalsContact O-N 3.16Å; S11-M14 WeakPolarHBondContact O-CB 3.45Å; S11-M14 PolarHBondContact O-N 3.46Å; L12-M14 VanDerWaalsContact C-N 3.29Å; L12-M14 PolarHBondContact O-N 3.43Å; M14-M16 VanDerWaalsContact C-N 3.32Å; M14-M16 PolarHBondContact O-N 2.7Å; M14-Y17 PolarHBondContact O-N 2.88Å; M14-Y17 HydrophobicContact SD-CD2 4.06Å; M14-S18 PolarHBondContact O-N 2.83Å; M14-S18 VanDerWaalsContact O-N 3.12Å; M14-S18 PolarHBondContact O-OG 3.15Å
15K93.1Very high93.7Very high65 Ų6568.3 Ų68.328%0.28336%0.357SS..Hα-helixtrans-60.4-41.8170.4-76.3-170.5-178176.30111.8S11 L12 L13 S18 H19 T20 F22 D26S11-K15 PolarHBondContact O-N 2.87Å; L12-K15 HydrophobicContact CD2-CD 4.1Å; L12-K15 WeakPolarHBondContact O-CB 3.4Å; L12-K15 PolarHBondContact O-N 2.79Å; L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 3.41Å; K15-S18 WeakPolarHBondContact CA-OG 3.28Å; K15-S18 CarbonylContact O-C 3.58Å; K15-S18 PolarHBondContact O-N 3.07Å; K15-S18 PolarHBondContact O-OG 2.93Å; K15-H19 PolarHBondContact O-N 2.92Å; K15-T20 HydrophobicContact CD-CG2 4.37Å; K15-T20 HydrophobicContact CG-CG2 4.38Å; K15-T20 PolarHBondContact O-N 3.28Å; K15-F22 HydrophobicContact CB-CE1 4.42Å; K15-D26 IonicContact NZ-OD1 3.86Å; K15-D26 IonicContact NZ-OD2 3.84Å; K15-D26 PolarHBondContact NZ-OD2 3.21Å
16M91Very high93.7Very high7 Ų767.1 Ų67.13%0.03435%0.351CS..Hα-helixtrans-61-47.8177.8-54.6-168.479.300111.6L12 L13 M14 S18 H19 F22 Y61 E94 M98 L101L12-M16 WeakPolarHBondContact O-CG 3.42Å; L12-M16 PolarHBondContact O-N 2.97Å; L13-M16 HydrophobicContact CD2-SD 4.31Å; L13-M16 WeakPolarHBondContact O-CB 3.32Å; L13-M16 PolarHBondContact O-N 3.39Å; M14-M16 VanDerWaalsContact C-N 3.32Å; M14-M16 PolarHBondContact O-N 2.7Å; M16-S18 PolarHBondContact O-N 2.88Å; M16-H19 PolarHBondContact O-N 2.92Å; M16-F22 HydrophobicContact CE-CE2 3.78Å; M16-F22 HydrophobicContact CE-CZ 4.01Å; M16-F22 HydrophobicContact CG-CE1 4.02Å; M16-F22 HydrophobicContact CG-CE2 3.84Å; M16-F22 HydrophobicContact CG-CZ 3.2Å; M16-F22 HydrophobicContact SD-CE2 4.03Å; M16-F22 HydrophobicContact SD-CZ 3.62Å; M16-Y61 WeakPolarHBondContact CB-OH 3.4Å; M16-Y61 HydrophobicContact CE-CE2 3.81Å; M16-Y61 PolarHBondContact O-OH 2.73Å; M16-E94 HydrophobicContact CE-CB 4.16Å; M16-E94 WeakPolarHBondContact CE-O 3.27Å; M16-M98 HydrophobicContact CE-CB 3.66Å; M16-M98 HydrophobicContact CE-CG 4.46Å; M16-M98 HydrophobicContact SD-CB 3.82Å; M16-M98 HydrophobicContact SD-CG 4.25Å; M16-L101 HydrophobicContact SD-CD1 3.89Å
17Y84.6Confident93.8Very high88 Ų8860.9 Ų60.935%0.34533%0.328SS..Hα-helixtrans-63-28.1179.1-64.7-55.9000113.8L13 M14 H19 W73L13-Y17 HydrophobicContact CB-CE2 4.18Å; L13-Y17 WeakPolarHBondContact O-CD2 3.4Å; L13-Y17 PolarHBondContact O-N 2.74Å; L13-Y17 VanDerWaalsContact O-N 3.15Å; M14-Y17 PolarHBondContact O-N 2.88Å; M14-Y17 HydrophobicContact SD-CD2 4.06Å; Y17-H19 VanDerWaalsContact C-N 3.29Å; Y17-W73 HydrophobicContact CD1-CH2 4.48Å; Y17-W73 HydrophobicContact CE1-CE3 4.07Å; Y17-W73 AromaticContact CE1-CH2 3.49Å; Y17-W73 HydrophobicContact CE1-CH2 3.49Å; Y17-W73 VanDerWaalsContact CE1-CH2 3.49Å; Y17-W73 HydrophobicContact CE1-CZ2 4.21Å; Y17-W73 AromaticContact CE1-CZ3 3.4Å; Y17-W73 HydrophobicContact CE1-CZ3 3.4Å; Y17-W73 AromaticContact CZ-CE3 3.97Å; Y17-W73 AromaticContact CZ-CZ3 3.66Å; Y17-W73 WeakPolarHBondContact OH-CZ3 3.29Å
18S87.1Confident93.9Very high72 Ų7257 Ų5750%0.50331%0.31SS..THydrogen-bonded Turntrans-89.99.717654.20000113.2M14 K15 M16 T20M14-S18 PolarHBondContact O-N 2.83Å; M14-S18 VanDerWaalsContact O-N 3.12Å; M14-S18 PolarHBondContact O-OG 3.15Å; K15-S18 WeakPolarHBondContact CA-OG 3.28Å; K15-S18 CarbonylContact O-C 3.58Å; K15-S18 PolarHBondContact O-N 3.07Å; K15-S18 PolarHBondContact O-OG 2.93Å; M16-S18 PolarHBondContact O-N 2.88Å; S18-T20 PolarHBondContact O-N 3Å; S18-T20 VanDerWaalsContact O-N 3.11Å; S18-T20 PolarHBondContact OG-OG1 2.93Å
19H85.3Confident93.9Very high137 Ų13753.1 Ų53.163%0.63430%0.296SS*.THydrogen-bonded Turntrans52.928.6-175.9-58.9-77.9000113.5K15 M16 Y17K15-H19 PolarHBondContact O-N 2.92Å; M16-H19 PolarHBondContact O-N 2.92Å; Y17-H19 VanDerWaalsContact C-N 3.29Å
20T86.9Confident94Very high71 Ų7153.1 Ų53.144%0.43630%0.295SS..PPolyproline II helixtrans-83.4126.7175.9-59.20000109.2K15 S18K15-T20 HydrophobicContact CD-CG2 4.37Å; K15-T20 HydrophobicContact CG-CG2 4.38Å; K15-T20 PolarHBondContact O-N 3.28Å; S18-T20 PolarHBondContact O-N 3Å; S18-T20 VanDerWaalsContact O-N 3.11Å; S18-T20 PolarHBondContact OG-OG1 2.93Å
21S90Very high94.2Very high91 Ų9151.1 Ų51.164%0.63628%0.278SS*.PPolyproline II helixtrans-63142.1179.6-53.40000112.3
22F95.1Very high94.3Very high14 Ų1452 Ų526%0.06128%0.276CS..PPolyproline II helixtrans-72.1146.9170.8-67.5-54.6000111.7L12 K15 M16 D26 V27 I30 C97 L101 F136L12-F22 HydrophobicContact CB-CE1 4.15Å; L12-F22 HydrophobicContact CD2-CD1 4.16Å; L12-F22 HydrophobicContact CD2-CE1 4.03Å; K15-F22 HydrophobicContact CB-CE1 4.42Å; M16-F22 HydrophobicContact CE-CE2 3.78Å; M16-F22 HydrophobicContact CE-CZ 4.01Å; M16-F22 HydrophobicContact CG-CE1 4.02Å; M16-F22 HydrophobicContact CG-CE2 3.84Å; M16-F22 HydrophobicContact CG-CZ 3.2Å; M16-F22 HydrophobicContact SD-CE2 4.03Å; M16-F22 HydrophobicContact SD-CZ 3.62Å; F22-D26 HydrophobicContact CB-CB 4.18Å; F22-D26 HydrophobicContact CD1-CB 3.99Å; F22-D26 HydrophobicContact CG-CB 4.48Å; F22-V27 HydrophobicContact CB-CG2 3.72Å; F22-V27 HydrophobicContact CG-CG2 4.35Å; F22-I30 HydrophobicContact CD1-CD1 4.36Å; F22-I30 HydrophobicContact CE1-CD1 3.99Å; F22-I30 HydrophobicContact CE2-CD1 4.31Å; F22-I30 HydrophobicContact CZ-CD1 3.9Å; F22-C97 HydrophobicContact CD2-CB 4.32Å; F22-C97 HydrophobicContact CE2-CB 3.68Å; F22-C97 HydrophobicContact CZ-CB 4.34Å; F22-L101 HydrophobicContact CZ-CD1 4.26Å; F22-F136 WeakPolarHBondContact O-CE1 3.47Å
23T96.9Very high94.3Very high72 Ų7252.1 Ų52.144%0.44228%0.277SS..PPolyproline II helixtrans-86.3162.1163.464.90000110.4N25 D26 V27T23-N25 PolarHBondContact O-N 3.2Å; T23-D26 PolarHBondContact N-OD2 2.95Å; T23-D26 VanDerWaalsContact N-OD2 3.09Å; T23-D26 WeakPolarHBondContact O-CA 3.33Å; T23-D26 WeakPolarHBondContact O-CB 3.28Å; T23-D26 PolarHBondContact O-N 3.01Å; T23-D26 PolarHBondContact OG1-N 3.42Å; T23-D26 PolarHBondContact OG1-OD2 3.39Å; T23-V27 PolarHBondContact O-N 3.28Å
24E97.7Very high94.5Very high76 Ų7651.5 Ų51.536%0.35527%0.273SS..Hα-helixtrans-58.4-33.8174.6-179.2161.6-176.100112.7D26 V27 S28 F136 S137 L140E24-D26 VanDerWaalsContact C-N 3.35Å; E24-V27 PolarHBondContact O-N 2.87Å; E24-S28 VanDerWaalsContact O-CB 3.27Å; E24-S28 WeakPolarHBondContact O-CB 3.43Å; E24-S28 PolarHBondContact O-N 3.25Å; E24-S28 PolarHBondContact O-OG 3.38Å; E24-F136 HydrophobicContact CB-CD1 4.17Å; E24-S137 WeakPolarHBondContact OE1-CB 3.47Å; E24-S137 PolarHBondContact OE1-OG 3.31Å; E24-L140 HydrophobicContact CG-CD1 4.39Å; E24-L140 HydrophobicContact CG-CD2 4.19Å
25N98Very high94.8Very high119 Ų11946.7 Ų46.764%0.63625%0.25SC*.Hα-helixtrans-68.3-32.4173.7-77.3-22.7000113R8 T23 F29R8-N25 PolarHBondContact NH2-O 3.47Å; T23-N25 PolarHBondContact O-N 3.2Å; N25-F29 WeakPolarHBondContact O-CB 3.4Å; N25-F29 PolarHBondContact O-N 3.26Å
26D98.2Very high95.1Very high12 Ų1247.5 Ų47.56%0.06425%0.253CS..Hα-helixtrans-67.8-50173.8-65.6-34.9000109.8R8 L12 K15 F22 T23 E24 S28 F29 I30R8-D26 IonicContact NH2-OD1 3.88Å; L12-D26 HydrophobicContact CD2-CB 3.68Å; L12-D26 WeakPolarHBondContact CD2-OD1 3.5Å; K15-D26 IonicContact NZ-OD1 3.86Å; K15-D26 IonicContact NZ-OD2 3.84Å; K15-D26 PolarHBondContact NZ-OD2 3.21Å; F22-D26 HydrophobicContact CB-CB 4.18Å; F22-D26 HydrophobicContact CD1-CB 3.99Å; F22-D26 HydrophobicContact CG-CB 4.48Å; T23-D26 PolarHBondContact N-OD2 2.95Å; T23-D26 VanDerWaalsContact N-OD2 3.09Å; T23-D26 WeakPolarHBondContact O-CA 3.33Å; T23-D26 WeakPolarHBondContact O-CB 3.28Å; T23-D26 PolarHBondContact O-N 3.01Å; T23-D26 PolarHBondContact OG1-N 3.42Å; T23-D26 PolarHBondContact OG1-OD2 3.39Å; E24-D26 VanDerWaalsContact C-N 3.35Å; D26-S28 PolarHBondContact O-N 2.87Å; D26-F29 WeakPolarHBondContact O-CB 3.47Å; D26-F29 PolarHBondContact O-N 2.86Å; D26-I30 VanDerWaalsContact O-CG1 3.28Å; D26-I30 WeakPolarHBondContact O-CG1 3.36Å; D26-I30 PolarHBondContact O-N 3.39Å
27V98.5Very high95.4Very high0 Ų047.7 Ų47.70%026%0.256CS..Hα-helixtrans-63.3-42.6-179.9-176.30000111.3F22 T23 E24 F29 I30 I31 F136 L140 F144F22-V27 HydrophobicContact CB-CG2 3.72Å; F22-V27 HydrophobicContact CG-CG2 4.35Å; T23-V27 PolarHBondContact O-N 3.28Å; E24-V27 PolarHBondContact O-N 2.87Å; V27-F29 VanDerWaalsContact C-N 3.29Å; V27-F29 PolarHBondContact O-N 2.84Å; V27-I30 WeakPolarHBondContact O-CB 3.07Å; V27-I30 PolarHBondContact O-N 3.26Å; V27-I30 VanDerWaalsContact O-N 3.13Å; V27-I31 HydrophobicContact CG1-CD1 3.91Å; V27-I31 HydrophobicContact CG1-CG1 4.31Å; V27-I31 WeakPolarHBondContact O-CG1 3.28Å; V27-I31 PolarHBondContact O-N 2.76Å; V27-F136 HydrophobicContact CG2-CE1 3.93Å; V27-F136 HydrophobicContact CG2-CZ 3.92Å; V27-L140 HydrophobicContact CB-CD1 4.23Å; V27-L140 HydrophobicContact CB-CD2 3.87Å; V27-L140 HydrophobicContact CG1-CD1 3.99Å; V27-L140 HydrophobicContact CG1-CD2 3.74Å; V27-L140 HydrophobicContact CG1-CG 4.12Å; V27-L140 HydrophobicContact CG2-CD2 4.4Å; V27-F144 HydrophobicContact CG1-CE1 4.23Å; V27-F144 HydrophobicContact CG1-CE2 3.68Å; V27-F144 HydrophobicContact CG1-CZ 3.31Å
28S98.6Very high96.1Very high33 Ų3343.5 Ų43.523%0.23124%0.239CC..Hα-helixtrans-58.9-41.3176.4-65.40000112.3E24 D26 E32 L140E24-S28 VanDerWaalsContact O-CB 3.27Å; E24-S28 WeakPolarHBondContact O-CB 3.43Å; E24-S28 PolarHBondContact O-N 3.25Å; E24-S28 PolarHBondContact O-OG 3.38Å; D26-S28 PolarHBondContact O-N 2.87Å; S28-E32 PolarHBondContact O-N 2.9Å; S28-E32 VanDerWaalsContact O-N 3.09Å; S28-L140 WeakPolarHBondContact OG-CD1 3.2Å
29F98.6Very high96.6Very high15 Ų1544.4 Ų44.47%0.06624%0.237CC..Hα-helixtrans-64.8-44.6174.4171.4-94.2000111.7E5 R8 A9 L12 N25 D26 V27 I31 E32 Q33E5-F29 HydrophobicContact CB-CE2 4.39Å; E5-F29 HydrophobicContact CB-CZ 4.17Å; E5-F29 HydrophobicContact CG-CE2 4.23Å; E5-F29 WeakPolarHBondContact O-CZ 3.2Å; R8-F29 HydrophobicContact CB-CE1 4.06Å; R8-F29 HydrophobicContact CB-CZ 3.89Å; R8-F29 HydrophobicContact CG-CD1 4.15Å; R8-F29 HydrophobicContact CG-CE1 3.79Å; R8-F29 HydrophobicContact CG-CE2 4.47Å; R8-F29 HydrophobicContact CG-CZ 3.96Å; A9-F29 HydrophobicContact CB-CE1 4.29Å; L12-F29 HydrophobicContact CD1-CD1 3.58Å; L12-F29 HydrophobicContact CD1-CE1 4.01Å; N25-F29 WeakPolarHBondContact O-CB 3.4Å; N25-F29 PolarHBondContact O-N 3.26Å; D26-F29 WeakPolarHBondContact O-CB 3.47Å; D26-F29 PolarHBondContact O-N 2.86Å; V27-F29 VanDerWaalsContact C-N 3.29Å; V27-F29 PolarHBondContact O-N 2.84Å; F29-I31 PolarHBondContact O-N 2.8Å; F29-E32 PolarHBondContact O-N 2.92Å; F29-Q33 HydrophobicContact CD1-CG 4.35Å; F29-Q33 HydrophobicContact CD2-CG 4.26Å; F29-Q33 HydrophobicContact CE1-CG 3.9Å; F29-Q33 HydrophobicContact CE2-CG 3.8Å; F29-Q33 HydrophobicContact CZ-CG 3.59Å; F29-Q33 WeakPolarHBondContact O-CG 3.35Å; F29-Q33 PolarHBondContact O-N 2.81Å
30I98.8Very high97.1Very high1 Ų146 Ų461%0.00524%0.242CC..Hα-helixtrans-58.3-48.9178.1-67.5166.9000110.5L12 F22 D26 V27 E32 Q33 A34 C97 F100 L101L12-I30 HydrophobicContact CD1-CD1 4.09Å; L12-I30 HydrophobicContact CD1-CG1 3.76Å; F22-I30 HydrophobicContact CD1-CD1 4.36Å; F22-I30 HydrophobicContact CE1-CD1 3.99Å; F22-I30 HydrophobicContact CE2-CD1 4.31Å; F22-I30 HydrophobicContact CZ-CD1 3.9Å; D26-I30 VanDerWaalsContact O-CG1 3.28Å; D26-I30 WeakPolarHBondContact O-CG1 3.36Å; D26-I30 PolarHBondContact O-N 3.39Å; V27-I30 WeakPolarHBondContact O-CB 3.07Å; V27-I30 PolarHBondContact O-N 3.26Å; V27-I30 VanDerWaalsContact O-N 3.13Å; I30-E32 VanDerWaalsContact C-N 3.34Å; I30-E32 PolarHBondContact O-N 2.77Å; I30-Q33 PolarHBondContact O-N 2.78Å; I30-A34 WeakPolarHBondContact O-CB 3.36Å; I30-A34 PolarHBondContact O-N 2.69Å; I30-C97 HydrophobicContact CD1-CB 4.06Å; I30-C97 HydrophobicContact CG2-CB 4.34Å; I30-F100 HydrophobicContact CG2-CB 3.46Å; I30-F100 VanDerWaalsContact CG2-CB 3.46Å; I30-F100 HydrophobicContact CG2-CD2 4.2Å; I30-F100 HydrophobicContact CG2-CG 4.37Å; I30-L101 HydrophobicContact CD1-CD1 3.94Å; I30-L101 HydrophobicContact CD1-CD2 4.36Å; I30-L101 HydrophobicContact CD1-CG 4.1Å; I30-L101 HydrophobicContact CG1-CD1 4.32Å; I30-L101 HydrophobicContact CG1-CD2 3.84Å; I30-L101 HydrophobicContact CG1-CG 3.96Å; I30-L101 HydrophobicContact CG2-CG 4.11Å
31I98.8Very high97.6Very high0 Ų043.9 Ų43.90%023%0.228CC..Hα-helixtrans-57.2-47.6177.6-69.8170.9000110.6V27 F29 Q33 A34 M35 F100 L140 R143 F144 A147V27-I31 HydrophobicContact CG1-CD1 3.91Å; V27-I31 HydrophobicContact CG1-CG1 4.31Å; V27-I31 WeakPolarHBondContact O-CG1 3.28Å; V27-I31 PolarHBondContact O-N 2.76Å; F29-I31 PolarHBondContact O-N 2.8Å; I31-Q33 PolarHBondContact O-N 2.82Å; I31-A34 PolarHBondContact O-N 3.41Å; I31-M35 HydrophobicContact CG2-CG 4.44Å; I31-M35 HydrophobicContact CG2-SD 3.94Å; I31-M35 VanDerWaalsContact O-CG 3.31Å; I31-M35 WeakPolarHBondContact O-CG 3.29Å; I31-M35 PolarHBondContact O-N 2.85Å; I31-F100 HydrophobicContact CG1-CD2 4.36Å; I31-F100 HydrophobicContact CG1-CE2 4.24Å; I31-L140 HydrophobicContact CD1-CD1 3.91Å; I31-L140 HydrophobicContact CD1-CG 4.5Å; I31-R143 HydrophobicContact CD1-CB 3.95Å; I31-R143 HydrophobicContact CG2-CB 4.33Å; I31-F144 HydrophobicContact CD1-CD1 3.76Å; I31-F144 HydrophobicContact CD1-CD2 3.93Å; I31-F144 HydrophobicContact CD1-CE1 3.78Å; I31-F144 HydrophobicContact CD1-CE2 3.97Å; I31-F144 HydrophobicContact CD1-CG 3.84Å; I31-F144 HydrophobicContact CD1-CZ 3.91Å; I31-F144 HydrophobicContact CG1-CD1 3.93Å; I31-F144 HydrophobicContact CG1-CE1 3.8Å; I31-F144 HydrophobicContact CG1-CG 4.49Å; I31-F144 HydrophobicContact CG1-CZ 4.29Å; I31-A147 HydrophobicContact CG2-CB 4.04Å
32E98.5Very high98Very high79 Ų7941.7 Ų41.737%0.36921%0.212SC..Hα-helixtrans-61.3-44.8-179-167.8-165.2147.900112.2S28 F29 I30 A34 M35 K36S28-E32 PolarHBondContact O-N 2.9Å; S28-E32 VanDerWaalsContact O-N 3.09Å; F29-E32 PolarHBondContact O-N 2.92Å; I30-E32 VanDerWaalsContact C-N 3.34Å; I30-E32 PolarHBondContact O-N 2.77Å; E32-A34 VanDerWaalsContact C-N 3.34Å; E32-M35 PolarHBondContact O-N 2.91Å; E32-K36 WeakPolarHBondContact O-CG 3.38Å; E32-K36 PolarHBondContact O-N 3.2Å; E32-K36 VanDerWaalsContact O-N 3.09Å; E32-K36 VanDerWaalsContact OE1-CE 3.32Å; E32-K36 WeakPolarHBondContact OE1-CE 3.46Å; E32-K36 IonicContact OE1-NZ 2.67Å; E32-K36 PolarHBondContact OE1-NZ 2.87Å
33Q98.6Very high98.1Very high6 Ų641.1 Ų41.13%0.02821%0.21CC..Hα-helixtrans-69.1-33.5178.5-61.6-52.9-38.100112.3M1 E5 F29 I30 I31 A37 S104M1-Q33 HydrophobicContact CG-CG 4.48Å; M1-Q33 HydrophobicContact SD-CB 4.37Å; M1-Q33 HydrophobicContact SD-CG 4.28Å; E5-Q33 PolarHBondContact OE1-NE2 3.33Å; F29-Q33 HydrophobicContact CD1-CG 4.35Å; F29-Q33 HydrophobicContact CD2-CG 4.26Å; F29-Q33 HydrophobicContact CE1-CG 3.9Å; F29-Q33 HydrophobicContact CE2-CG 3.8Å; F29-Q33 HydrophobicContact CZ-CG 3.59Å; F29-Q33 WeakPolarHBondContact O-CG 3.35Å; F29-Q33 PolarHBondContact O-N 2.81Å; I30-Q33 PolarHBondContact O-N 2.78Å; I31-Q33 PolarHBondContact O-N 2.82Å; Q33-A37 PolarHBondContact O-N 3.47Å; Q33-A37 VanDerWaalsContact O-N 3.16Å; Q33-S104 WeakPolarHBondContact CB-OG 3.44Å; Q33-S104 PolarHBondContact O-OG 2.99Å
34A98.6Very high98.2Very high0 Ų037.7 Ų37.70%019%0.189CC..Hα-helixtrans-67.1-46.8175.900000111I30 I31 E32 K36 A37 L38 F100 S104I30-A34 WeakPolarHBondContact O-CB 3.36Å; I30-A34 PolarHBondContact O-N 2.69Å; I31-A34 PolarHBondContact O-N 3.41Å; E32-A34 VanDerWaalsContact C-N 3.34Å; A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.48Å; A34-A37 WeakPolarHBondContact O-CA 3.38Å; A34-A37 WeakPolarHBondContact O-CB 3.48Å; A34-A37 PolarHBondContact O-N 2.74Å; A34-L38 WeakPolarHBondContact O-CB 3.49Å; A34-L38 VanDerWaalsContact O-CG 3.3Å; A34-L38 WeakPolarHBondContact O-CG 3.25Å; A34-L38 PolarHBondContact O-N 3.04Å; A34-F100 HydrophobicContact CB-CB 3.57Å; A34-F100 HydrophobicContact CB-CD1 3.75Å; A34-F100 HydrophobicContact CB-CD2 3.66Å; A34-F100 HydrophobicContact CB-CE1 4.33Å; A34-F100 HydrophobicContact CB-CE2 4.26Å; A34-F100 HydrophobicContact CB-CG 3.37Å; A34-S104 WeakPolarHBondContact CA-OG 3.16Å; A34-S104 PolarHBondContact N-OG 3.1Å; A34-S104 VanDerWaalsContact N-OG 3.13Å
35M98.6Very high98.2Very high23 Ų2334.3 Ų34.311%0.11317%0.173CC..Hα-helixtrans-55.8-47.7175.1-72.517676.300111.5I31 E32 A37 L38 M39 E146 A147I31-M35 HydrophobicContact CG2-CG 4.44Å; I31-M35 HydrophobicContact CG2-SD 3.94Å; I31-M35 VanDerWaalsContact O-CG 3.31Å; I31-M35 WeakPolarHBondContact O-CG 3.29Å; I31-M35 PolarHBondContact O-N 2.85Å; E32-M35 PolarHBondContact O-N 2.91Å; M35-A37 PolarHBondContact O-N 2.9Å; M35-L38 PolarHBondContact O-N 2.85Å; M35-M39 HydrophobicContact CB-CE 4.06Å; M35-M39 HydrophobicContact CE-CE 4.34Å; M35-M39 WeakPolarHBondContact O-CB 3.43Å; M35-M39 WeakPolarHBondContact O-CG 3.4Å; M35-M39 PolarHBondContact O-N 3.18Å; M35-E146 HydrophobicContact CE-CB 4.16Å; M35-A147 HydrophobicContact CG-CB 3.72Å; M35-A147 HydrophobicContact SD-CB 4.3Å
36K98.1Very high98.2Very high81 Ų8133.1 Ų33.135%0.35216%0.164SC..Hα-helixtrans-57-33.4175.6-75.6167.6170.8168.60113.2E5 E32 A34E5-K36 IonicContact OE1-NZ 3.26Å; E5-K36 PolarHBondContact OE1-NZ 3.33Å; E32-K36 WeakPolarHBondContact O-CG 3.38Å; E32-K36 PolarHBondContact O-N 3.2Å; E32-K36 VanDerWaalsContact O-N 3.09Å; E32-K36 VanDerWaalsContact OE1-CE 3.32Å; E32-K36 WeakPolarHBondContact OE1-CE 3.46Å; E32-K36 IonicContact OE1-NZ 2.67Å; E32-K36 PolarHBondContact OE1-NZ 2.87Å; A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.48Å
37A98.3Very high98.2Very high11 Ų1133.5 Ų33.59%0.09117%0.167CC..Hα-helixtrans-78.2-46.9176.800000111.7Q33 A34 M35 M39 K40 K103Q33-A37 PolarHBondContact O-N 3.47Å; Q33-A37 VanDerWaalsContact O-N 3.16Å; A34-A37 WeakPolarHBondContact O-CA 3.38Å; A34-A37 WeakPolarHBondContact O-CB 3.48Å; A34-A37 PolarHBondContact O-N 2.74Å; M35-A37 PolarHBondContact O-N 2.9Å; A37-M39 VanDerWaalsContact C-N 3.34Å; A37-M39 PolarHBondContact O-N 2.78Å; A37-K40 WeakPolarHBondContact O-CB 3.3Å; A37-K40 PolarHBondContact O-N 3.42Å; A37-K40 VanDerWaalsContact O-N 3.14Å; A37-K103 HydrophobicContact CB-CG 4.06Å
38L98.5Very high98.2Very high0 Ų036.2 Ų36.20%019%0.186CC..Hα-helixtrans-66.3-31.7-177.9-68.6170.1000113.5A34 M35 K40 D41 F100 K103 I112 W150 L151 R183A34-L38 WeakPolarHBondContact O-CB 3.49Å; A34-L38 VanDerWaalsContact O-CG 3.3Å; A34-L38 WeakPolarHBondContact O-CG 3.25Å; A34-L38 PolarHBondContact O-N 3.04Å; M35-L38 PolarHBondContact O-N 2.85Å; L38-K40 PolarHBondContact O-N 3.5Å; L38-K40 VanDerWaalsContact O-N 3.14Å; L38-D41 PolarHBondContact O-N 2.94Å; L38-D41 VanDerWaalsContact O-N 3.16Å; L38-F100 HydrophobicContact CD1-CE1 4.48Å; L38-K103 HydrophobicContact CD2-CG 4.16Å; L38-K103 HydrophobicContact CG-CG 4.47Å; L38-I112 HydrophobicContact CD2-CD1 4.21Å; L38-I112 HydrophobicContact CD2-CG1 3.96Å; L38-W150 HydrophobicContact CB-CB 3.86Å; L38-W150 HydrophobicContact CD1-CB 4.3Å; L38-L151 HydrophobicContact CD1-CD2 3.88Å; L38-L151 HydrophobicContact CD1-CG 4.4Å; L38-L151 HydrophobicContact CD2-CD2 3.95Å; L38-R183 PolarHBondContact O-NH1 2.88Å
39M97.5Very high98.2Very high91 Ų9135.4 Ų35.445%0.44818%0.181SC..THydrogen-bonded Turntrans-57.3-24.5172.9-76.5169.5-164.400113.1M35 A37 W150M35-M39 HydrophobicContact CB-CE 4.06Å; M35-M39 HydrophobicContact CE-CE 4.34Å; M35-M39 WeakPolarHBondContact O-CB 3.43Å; M35-M39 WeakPolarHBondContact O-CG 3.4Å; M35-M39 PolarHBondContact O-N 3.18Å; A37-M39 VanDerWaalsContact C-N 3.34Å; A37-M39 PolarHBondContact O-N 2.78Å; M39-W150 HydrophobicContact CB-CE3 4.37Å; M39-W150 HydrophobicContact CB-CZ3 4.33Å; M39-W150 HydrophobicContact CE-CH2 4.48Å; M39-W150 HydrophobicContact CE-CZ2 3.78Å; M39-W150 HydrophobicContact CG-CD2 3.82Å; M39-W150 HydrophobicContact CG-CE3 3.68Å; M39-W150 HydrophobicContact CG-CH2 3.79Å; M39-W150 HydrophobicContact CG-CZ2 3.91Å; M39-W150 HydrophobicContact CG-CZ3 3.67Å; M39-W150 HydrophobicContact SD-CZ2 4.45Å
40K96.9Very high98.2Very high172 Ų17237.7 Ų37.775%0.74820%0.198SC*.THydrogen-bonded Turntrans-89.3-18.6-178.6-59.2179.6-177-176.20113.4A37 L38A37-K40 WeakPolarHBondContact O-CB 3.3Å; A37-K40 PolarHBondContact O-N 3.42Å; A37-K40 VanDerWaalsContact O-N 3.14Å; L38-K40 PolarHBondContact O-N 3.5Å; L38-K40 VanDerWaalsContact O-N 3.14Å
41D97Very high98.2Very high26 Ų2637.7 Ų37.714%0.13920%0.198CC..SBendtrans-71.3162.1176.9-68-20.6000109.8L38 V45 K103 P152 R183L38-D41 PolarHBondContact O-N 2.94Å; L38-D41 VanDerWaalsContact O-N 3.16Å; D41-V45 HydrophobicContact CB-CG2 4.33Å; D41-K103 IonicContact OD1-NZ 3.58Å; D41-K103 PolarHBondContact OD1-NZ 2.92Å; D41-K103 WeakPolarHBondContact OD2-CE 3.26Å; D41-K103 IonicContact OD2-NZ 3.65Å; D41-K103 PolarHBondContact OD2-NZ 3.11Å; D41-P152 HydrophobicContact CB-CG 3.92Å; D41-R183 PolarHBondContact O-NH2 3.41Å
42S97.3Very high98.2Very high44 Ų4438.8 Ų38.831%0.30820%0.202SC..  trans-85.8158.7162.2161.40000109.5L44 P152S42-L44 WeakPolarHBondContact CB-O 3.29Å; S42-L44 PolarHBondContact O-N 3.24Å; S42-L44 PolarHBondContact OG-N 3.21Å; S42-L44 VanDerWaalsContact OG-N 3.09Å; S42-L44 PolarHBondContact OG-O 2.82Å; S42-P152 WeakPolarHBondContact O-CB 3.35Å; S42-P152 WeakPolarHBondContact O-CG 3.13Å
43M98.3Very high98.2Very high2 Ų235 Ų351%0.0118%0.184CC..SBendtrans-61.2-26.3169.8-91.1-67-102.200112.8V153 A154 I178 V181 R183 L185 L193M43-V153 HydrophobicContact CE-CB 4.3Å; M43-V153 HydrophobicContact CE-CG1 3.55Å; M43-V153 HydrophobicContact CE-CG2 3.81Å; M43-V153 PolarHBondContact O-N 2.97Å; M43-V153 VanDerWaalsContact O-N 3.12Å; M43-V153 HydrophobicContact SD-CG1 4.18Å; M43-V153 HydrophobicContact SD-CG2 4.22Å; M43-A154 PolarHBondContact O-N 3.37Å; M43-I178 HydrophobicContact CB-CG2 4.05Å; M43-I178 WeakPolarHBondContact CB-O 3.3Å; M43-V181 HydrophobicContact CB-CB 4.37Å; M43-V181 HydrophobicContact CE-CB 4.13Å; M43-V181 HydrophobicContact CE-CG1 3.54Å; M43-V181 HydrophobicContact CG-CB 3.96Å; M43-V181 HydrophobicContact CG-CG1 4.15Å; M43-R183 HydrophobicContact CE-CG 4.4Å; M43-R183 HydrophobicContact CG-CG 4Å; M43-R183 WeakPolarHBondContact SD-CD 3.19Å; M43-R183 HydrophobicContact SD-CG 3.83Å; M43-L185 HydrophobicContact CE-CD2 3.97Å; M43-L193 HydrophobicContact CE-CD1 4.35Å; M43-L193 HydrophobicContact CE-CD2 4.25Å
44L98.7Very high98.2Very high0 Ų034.8 Ų34.80%018%0.183CC..EExtended strand (participates in β ladder)trans-105.2103.5163.8-178.965.4000108.3S42 E46 A154 L156 W175 I178 R179S42-L44 WeakPolarHBondContact CB-O 3.29Å; S42-L44 PolarHBondContact O-N 3.24Å; S42-L44 PolarHBondContact OG-N 3.21Å; S42-L44 VanDerWaalsContact OG-N 3.09Å; S42-L44 PolarHBondContact OG-O 2.82Å; L44-E46 HydrophobicContact CG-CG 4.39Å; L44-E46 PolarHBondContact O-N 2.9Å; L44-A154 CarbonylContact C-O 3.08Å; L44-A154 WeakPolarHBondContact CA-O 3.39Å; L44-A154 HydrophobicContact CD1-CB 3.64Å; L44-L156 HydrophobicContact CD1-CB 4.16Å; L44-L156 HydrophobicContact CG-CB 4.41Å; L44-W175 HydrophobicContact CD2-CB 3.89Å; L44-W175 HydrophobicContact CD2-CD2 4.39Å; L44-W175 HydrophobicContact CD2-CE3 4.26Å; L44-W175 HydrophobicContact CD2-CG 4.28Å; L44-I178 HydrophobicContact CB-CB 4.24Å; L44-I178 HydrophobicContact CB-CG2 3.82Å; L44-R179 HydrophobicContact CB-CG 4.07Å; L44-R179 HydrophobicContact CD2-CG 4.23Å
45V98.5Very high98.2Very high5 Ų534.8 Ų34.83%0.0318%0.183CC..EExtended strand (participates in β ladder)trans-72.8117.2177.3170.80000109.5D41 F111 L113 P152 A154 G155 L156D41-V45 HydrophobicContact CB-CG2 4.33Å; V45-F111 HydrophobicContact CG1-CB 4.21Å; V45-F111 HydrophobicContact CG1-CD1 3.29Å; V45-F111 HydrophobicContact CG1-CE1 3.74Å; V45-F111 HydrophobicContact CG1-CG 3.84Å; V45-L113 HydrophobicContact CB-CD2 4.49Å; V45-L113 HydrophobicContact CG2-CD2 4.22Å; V45-P152 HydrophobicContact CG2-CB 3.6Å; V45-P152 HydrophobicContact CG2-CG 3.54Å; V45-A154 PolarHBondContact N-O 2.79Å; V45-G155 CarbonylContact O-C 3.58Å; V45-G155 WeakPolarHBondContact O-CA 3.42Å; V45-L156 PolarHBondContact O-N 2.77Å
46E98.4Very high98.2Very high95 Ų9533.7 Ų33.744%0.44418%0.178SC..EExtended strand (participates in β ladder)trans-101.5125176.8-65.5179.6-126.800109.6L44 L156 R179L44-E46 HydrophobicContact CG-CG 4.39Å; L44-E46 PolarHBondContact O-N 2.9Å; E46-L156 HydrophobicContact CG-CB 4.33Å; E46-R179 VanDerWaalsContact CD-NH2 3.29Å; E46-R179 IonicContact OE1-CZ 2.7Å; E46-R179 IonicContact OE1-NE 2.83Å; E46-R179 PolarHBondContact OE1-NE 3.27Å; E46-R179 IonicContact OE1-NH2 2.79Å; E46-R179 PolarHBondContact OE1-NH2 2.76Å; E46-R179 IonicContact OE2-NH2 3.95Å; E46-R179 PolarHBondContact OE2-NH2 3.14Å
47T98.1Very high98.2Very high20 Ų2029.9 Ų29.912%0.12316%0.161CC..EExtended strand (participates in β ladder)trans-148.9177.5-176.5-166.30000111.2I51 R78 F111 L156 V157 S158T47-I51 HydrophobicContact CG2-CD1 3.88Å; T47-R78 PolarHBondContact OG1-NH2 3.5Å; T47-F111 HydrophobicContact CG2-CD2 4.37Å; T47-F111 HydrophobicContact CG2-CE2 4.15Å; T47-F111 WeakPolarHBondContact OG1-CE2 3.49Å; T47-F111 VanDerWaalsContact OG1-CZ 3.28Å; T47-F111 WeakPolarHBondContact OG1-CZ 3.21Å; T47-L156 PolarHBondContact N-O 3.04Å; T47-L156 VanDerWaalsContact N-O 3.08Å; T47-V157 HydrophobicContact CG2-CG2 3.87Å; T47-V157 CarbonylContact O-C 3.49Å; T47-V157 WeakPolarHBondContact O-CA 3.42Å; T47-S158 PolarHBondContact O-N 2.85Å
48S97.8Very high98.2Very high56 Ų5629.6 Ų29.639%0.39216%0.158SC..  trans-121.2162.8-176.658.60000112.2R78S48-R78 PolarHBondContact O-NH1 2.93Å; S48-R78 PolarHBondContact OG-NH1 2.95Å
49A98Very high98.2Very high17 Ų1729.6 Ų29.614%0.1416%0.158CC..SBendtrans-74.6160.2163.100000111.3S158 V277 G278A49-S158 PolarHBondContact N-OG 3.26Å; A49-S158 VanDerWaalsContact N-OG 3.08Å; A49-V277 HydrophobicContact CB-CB 4.32Å; A49-V277 HydrophobicContact CB-CG1 3.81Å; A49-G278 WeakPolarHBondContact CB-O 3.27Å
50P98.3Very high98.2Very high63 Ų6326.7 Ų26.741%0.40914%0.143SC..SBendcis-76141.3-2.431.8-34.3000112.5R78 V277P50-R78 WeakPolarHBondContact O-CD 3.4Å; P50-V277 CarbonylContact C-O 3.5Å; P50-V277 WeakPolarHBondContact CA-O 3.34Å
51I98.7Very high98.1Very high1 Ų119 Ų191%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-153.1145.8-178.6-166.8164.9000111.7T47 I53 R78 L80 F111 V157 V277T47-I51 HydrophobicContact CG2-CD1 3.88Å; I51-I53 HydrophobicContact CG2-CG1 4.43Å; I51-R78 HydrophobicContact CB-CB 4.4Å; I51-R78 HydrophobicContact CG1-CB 4.08Å; I51-L80 HydrophobicContact CD1-CB 3.79Å; I51-L80 HydrophobicContact CG1-CB 4.4Å; I51-F111 HydrophobicContact CD1-CD2 4.04Å; I51-F111 HydrophobicContact CD1-CE2 4.33Å; I51-V157 HydrophobicContact CG2-CG1 3.67Å; I51-V157 HydrophobicContact CG2-CG2 4.28Å; I51-V277 HydrophobicContact CG2-CB 4.07Å; I51-V277 HydrophobicContact CG2-CG2 4.27Å; I51-V277 PolarHBondContact N-O 3.45Å; I51-V277 PolarHBondContact O-N 2.86Å
52W98.7Very high98Very high23 Ų2321.9 Ų21.99%0.08713%0.125CC..EExtended strand (participates in β ladder)trans-92.8130.8166.6-72.8106.8000110.5G71 R78 Y79 L80 M274 L275 H276 I286W52-G71 PolarHBondContact NE1-O 3.23Å; W52-R78 PolarHBondContact N-O 3.29Å; W52-Y79 HydrophobicContact CB-CD1 3.55Å; W52-Y79 HydrophobicContact CB-CE1 3.51Å; W52-Y79 HydrophobicContact CB-CG 4.27Å; W52-Y79 AromaticContact CD1-CZ 3.9Å; W52-Y79 HydrophobicContact CG-CD1 4.41Å; W52-Y79 AromaticContact CG-CE1 3.93Å; W52-Y79 HydrophobicContact CG-CE1 3.93Å; W52-Y79 CarbonylContact O-C 3.5Å; W52-Y79 VanDerWaalsContact O-CA 3.29Å; W52-Y79 WeakPolarHBondContact O-CA 3.4Å; W52-L80 PolarHBondContact O-N 3.14Å; W52-M274 HydrophobicContact CB-CE 4.37Å; W52-M274 HydrophobicContact CD2-CE 4.05Å; W52-M274 HydrophobicContact CE3-CB 3.85Å; W52-M274 HydrophobicContact CE3-CE 3.98Å; W52-M274 HydrophobicContact CG-CE 4.24Å; W52-M274 HydrophobicContact CZ3-CB 4.05Å; W52-L275 CarbonylContact C-O 3.5Å; W52-L275 WeakPolarHBondContact CA-O 3.43Å; W52-H276 HydrophobicContact CD2-CB 4.19Å; W52-H276 AromaticContact CD2-CD2 3.82Å; W52-H276 AromaticContact CE2-CD2 3.57Å; W52-H276 HydrophobicContact CE3-CB 3.71Å; W52-H276 HydrophobicContact CH2-CB 3.66Å; W52-H276 HydrophobicContact CZ2-CB 4.13Å; W52-H276 AromaticContact CZ2-CD2 3.8Å; W52-H276 HydrophobicContact CZ3-CB 3.43Å; W52-H276 VanDerWaalsContact CZ3-CB 3.43Å; W52-H276 AromaticContact NE1-CD2 3.91Å; W52-I286 HydrophobicContact CE3-CD1 4.32Å; W52-I286 HydrophobicContact CH2-CD1 3.48Å; W52-I286 VanDerWaalsContact CH2-CD1 3.48Å; W52-I286 HydrophobicContact CH2-CG1 3.94Å; W52-I286 HydrophobicContact CH2-CG2 3.93Å; W52-I286 HydrophobicContact CZ2-CD1 4.36Å; W52-I286 HydrophobicContact CZ3-CD1 3.45Å; W52-I286 VanDerWaalsContact CZ3-CD1 3.45Å; W52-I286 HydrophobicContact CZ3-CG1 3.58Å; W52-I286 HydrophobicContact CZ3-CG2 4.21Å
53I98.8Very high97.9Very high0 Ų021.3 Ų21.30%012%0.119CC..EExtended strand (participates in β ladder)trans-109.6124.8173.4-57.3161.9000108.2I51 L80 L82 V157 A237 L275 V277I51-I53 HydrophobicContact CG2-CG1 4.43Å; I53-L80 VanDerWaalsContact CA-O 3.24Å; I53-L80 WeakPolarHBondContact CA-O 3.33Å; I53-L80 HydrophobicContact CG1-CB 4.21Å; I53-L80 HydrophobicContact CG1-CD2 4.32Å; I53-L82 HydrophobicContact CG2-CD1 3.74Å; I53-L82 HydrophobicContact CG2-CD2 3.8Å; I53-L82 HydrophobicContact CG2-CG 3.74Å; I53-V157 HydrophobicContact CD1-CG2 4.29Å; I53-A237 HydrophobicContact CD1-CB 4.43Å; I53-A237 HydrophobicContact CG2-CB 4.48Å; I53-L275 HydrophobicContact CB-CB 4.13Å; I53-L275 HydrophobicContact CB-CD2 4.43Å; I53-L275 HydrophobicContact CD1-CD2 3.96Å; I53-L275 PolarHBondContact N-O 2.83Å; I53-L275 PolarHBondContact O-N 2.8Å; I53-V277 HydrophobicContact CD1-CG2 3.82Å
54C98.9Very high97.8Very high0 Ų021.3 Ų21.30%012%0.119CC..EExtended strand (participates in β ladder)trans-120.6141.2-178.2-58.20000110L80 F81 L82C54-L80 PolarHBondContact N-O 3.15Å; C54-F81 HydrophobicContact CB-CD1 3.54Å; C54-F81 HydrophobicContact CB-CE1 3.48Å; C54-F81 VanDerWaalsContact CB-CE1 3.48Å; C54-F81 HydrophobicContact CB-CG 4.1Å; C54-F81 HydrophobicContact CB-CZ 4Å; C54-F81 WeakPolarHBondContact O-CA 3.46Å; C54-L82 WeakPolarHBondContact O-CG 3.27Å; C54-L82 PolarHBondContact O-N 3.22Å
55G98.8Very high97.7Very high0 Ų022.6 Ų22.60%013%0.125CC..  trans-89.8-149.4175.400000112.4I258 S260G55-I258 WeakPolarHBondContact CA-O 3.34Å; G55-S260 PolarHBondContact N-OG 3.24Å
56D98.9Very high97.5Very high1 Ų124.1 Ų24.11%0.00513%0.131CC..BIsolated β-bridgetrans-57.2142.1-174.9-50.312.2000111.6D84 H165 A239 H240 F259 S260 A261D56-D84 HydrophobicContact CB-CB 4.01Å; D56-H165 IonicContact OD1-CE1 2.65Å; D56-H165 PolarHBondContact OD1-CE1 3.28Å; D56-H165 VanDerWaalsContact OD1-CE1 3.25Å; D56-H165 IonicContact OD1-ND1 3.21Å; D56-H165 IonicContact OD2-CE1 3.75Å; D56-A239 WeakPolarHBondContact OD1-CB 2.98Å; D56-H240 PolarHBondContact OD1-N 3.13Å; D56-H240 VanDerWaalsContact OD2-CA 3.29Å; D56-H240 WeakPolarHBondContact OD2-CA 3.44Å; D56-H240 PolarHBondContact OD2-N 2.91Å; D56-F259 HydrophobicContact CB-CD2 3.89Å; D56-F259 HydrophobicContact CB-CE2 3.59Å; D56-F259 HydrophobicContact CB-CZ 4.06Å; D56-F259 WeakPolarHBondContact OD2-CE2 3.47Å; D56-S260 CarbonylContact O-C 3.59Å; D56-S260 VanDerWaalsContact O-CA 3.25Å; D56-S260 WeakPolarHBondContact O-CA 3.49Å; D56-S260 WeakPolarHBondContact O-CB 3.3Å; D56-S260 PolarHBondContact O-N 3.39Å; D56-S260 VanDerWaalsContact O-N 3.09Å; D56-A261 PolarHBondContact O-N 3.14Å
57T98.6Very high97.5Very high1 Ų119.7 Ų19.71%0.00611%0.11CC..  trans-126-27.9179.256.10000113.1G59 Q60 V64 L67 F81 D84 Y85 V95T57-G59 PolarHBondContact O-N 2.79Å; T57-Q60 WeakPolarHBondContact O-CB 3.48Å; T57-Q60 PolarHBondContact O-N 3.29Å; T57-V64 HydrophobicContact CG2-CG2 3.7Å; T57-L67 HydrophobicContact CG2-CD1 4.42Å; T57-F81 HydrophobicContact CG2-CD1 4.23Å; T57-F81 HydrophobicContact CG2-CE1 4.09Å; T57-D84 PolarHBondContact N-O 2.97Å; T57-D84 PolarHBondContact OG1-O 3.45Å; T57-Y85 WeakPolarHBondContact OG1-CA 3.19Å; T57-V95 WeakPolarHBondContact OG1-CG1 3.23Å
58H98.5Very high97.5Very high4 Ų418.7 Ų18.72%0.01910%0.104CC..THydrogen-bonded Turntrans43.655168.6-79.6-53.2000114.5Q60 D84 V86 D87 R88 G89 H117 Y264H58-Q60 PolarHBondContact O-N 3.45Å; H58-D84 IonicContact CE1-OD2 2.76Å; H58-D84 PolarHBondContact CE1-OD2 3.2Å; H58-D84 VanDerWaalsContact CE1-OD2 3.31Å; H58-D84 PolarHBondContact N-O 3.33Å; H58-D84 IonicContact NE2-OD2 3.15Å; H58-D84 PolarHBondContact NE2-OD2 3.48Å; H58-V86 PolarHBondContact ND1-O 2.82Å; H58-D87 CarbonylContact C-O 3.52Å; H58-D87 WeakPolarHBondContact CA-O 3.47Å; H58-R88 HydrophobicContact CB-CB 4.25Å; H58-G89 WeakPolarHBondContact O-CA 3.2Å; H58-G89 PolarHBondContact O-N 3.43Å; H58-H117 AromaticContact CE1-CD2 3.58Å; H58-H117 AromaticContact CE1-CG 3.74Å; H58-H117 AromaticContact CE1-ND1 4Å; H58-H117 AromaticContact CE1-NE2 3.78Å; H58-Y264 HydrophobicContact CB-CE2 3.85Å; H58-Y264 AromaticContact CD2-CE2 3.27Å; H58-Y264 WeakPolarHBondContact CD2-CE2 3.39Å; H58-Y264 AromaticContact CD2-CZ 3.65Å; H58-Y264 PolarHBondContact CD2-OH 2.74Å; H58-Y264 AromaticContact CG-CE2 3.78Å; H58-Y264 AromaticContact NE2-CZ 3.96Å; H58-Y264 PolarHBondContact NE2-OH 3.24Å
59G97.8Very high97.4Very high0 Ų021.4 Ų21.40%011%0.114CC..THydrogen-bonded Turntrans63.114.7176.400000115.5T57 Y61 Y85 H91T57-G59 PolarHBondContact O-N 2.79Å; G59-Y61 VanDerWaalsContact C-N 3.26Å; G59-Y61 PolarHBondContact O-N 2.76Å; G59-Y85 PolarHBondContact N-O 3.2Å; G59-H91 CarbonylContact O-C 3.58Å; G59-H91 WeakPolarHBondContact O-CA 3.31Å; G59-H91 WeakPolarHBondContact O-CB 3.23Å; G59-H91 PolarHBondContact O-N 2.69Å; G59-H91 VanDerWaalsContact O-N 3.1Å
60Q96.7Very high97.3Very high31 Ų3126.5 Ų26.515%0.14513%0.129CC..  trans-84.765.2175.3-68.5-172.8-15600111.4T57 H58 N62 D63 V64 P262T57-Q60 WeakPolarHBondContact O-CB 3.48Å; T57-Q60 PolarHBondContact O-N 3.29Å; H58-Q60 PolarHBondContact O-N 3.45Å; Q60-N62 PolarHBondContact O-N 3.37Å; Q60-D63 HydrophobicContact CB-CB 4.11Å; Q60-D63 PolarHBondContact NE2-OD2 2.95Å; Q60-D63 WeakPolarHBondContact O-CB 3.32Å; Q60-D63 PolarHBondContact O-N 3.23Å; Q60-V64 PolarHBondContact O-N 2.99Å; Q60-V64 VanDerWaalsContact O-N 3.09Å; Q60-P262 PolarHBondContact NE2-O 3Å
61Y95.4Very high97.3Very high10 Ų1023.9 Ų23.94%0.03911%0.114CC..Hα-helixtrans-49.1-49.7-173176.3-115.8000114.2M16 G59 D63 V64 L65 E94 V95 M98M16-Y61 WeakPolarHBondContact CB-OH 3.4Å; M16-Y61 HydrophobicContact CE-CE2 3.81Å; M16-Y61 PolarHBondContact O-OH 2.73Å; G59-Y61 VanDerWaalsContact C-N 3.26Å; G59-Y61 PolarHBondContact O-N 2.76Å; Y61-D63 VanDerWaalsContact C-N 3.26Å; Y61-D63 PolarHBondContact O-N 3.06Å; Y61-V64 WeakPolarHBondContact O-CB 3.42Å; Y61-V64 PolarHBondContact O-N 3.46Å; Y61-V64 VanDerWaalsContact O-N 3.1Å; Y61-L65 HydrophobicContact CD1-CD1 4.45Å; Y61-L65 HydrophobicContact CD2-CD2 4.48Å; Y61-L65 HydrophobicContact CE1-CD1 3.9Å; Y61-L65 HydrophobicContact CE1-CD2 4.36Å; Y61-L65 HydrophobicContact CE1-CG 4.36Å; Y61-L65 HydrophobicContact CE2-CD2 3.77Å; Y61-L65 HydrophobicContact CE2-CG 4.37Å; Y61-L65 WeakPolarHBondContact O-CG 3.49Å; Y61-L65 PolarHBondContact O-N 3.34Å; Y61-L65 VanDerWaalsContact O-N 3.1Å; Y61-E94 HydrophobicContact CD1-CB 4.29Å; Y61-E94 HydrophobicContact CD2-CB 3.62Å; Y61-E94 HydrophobicContact CE2-CB 4.09Å; Y61-E94 HydrophobicContact CG-CB 3.73Å; Y61-E94 HydrophobicContact CG-CG 4.43Å; Y61-V95 HydrophobicContact CD2-CG2 4.46Å; Y61-M98 HydrophobicContact CD2-CE 3.93Å; Y61-M98 HydrophobicContact CE2-CE 3.79Å; Y61-M98 HydrophobicContact CE2-SD 3.84Å
62N94.3Very high97.2Very high86 Ų8624.6 Ų24.646%0.4612%0.121SC..Hα-helixtrans-62.8-32.4-179.6-68.5-43.1000112.8Q60 L65 R66Q60-N62 PolarHBondContact O-N 3.37Å; N62-L65 PolarHBondContact O-N 3.24Å; N62-R66 WeakPolarHBondContact O-CG 3.49Å; N62-R66 PolarHBondContact O-N 2.76Å
63D95.8Very high97.1Very high33 Ų3326.7 Ų26.718%0.17613%0.13CC..Hα-helixtrans-72.6-36.1175.6-67-55.5000111.5Q60 Y61 L65 R66 L67 P262Q60-D63 HydrophobicContact CB-CB 4.11Å; Q60-D63 PolarHBondContact NE2-OD2 2.95Å; Q60-D63 WeakPolarHBondContact O-CB 3.32Å; Q60-D63 PolarHBondContact O-N 3.23Å; Y61-D63 VanDerWaalsContact C-N 3.26Å; Y61-D63 PolarHBondContact O-N 3.06Å; D63-L65 VanDerWaalsContact C-N 3.31Å; D63-L65 PolarHBondContact O-N 2.76Å; D63-R66 WeakPolarHBondContact O-CA 3.39Å; D63-R66 VanDerWaalsContact O-CB 3.31Å; D63-R66 WeakPolarHBondContact O-CB 3.28Å; D63-R66 PolarHBondContact O-N 2.94Å; D63-R66 IonicContact OD1-CZ 3.11Å; D63-R66 IonicContact OD1-NH1 3.58Å; D63-R66 PolarHBondContact OD1-NH1 3.08Å; D63-L67 WeakPolarHBondContact O-CG 3.32Å; D63-L67 PolarHBondContact O-N 2.88Å; D63-P262 HydrophobicContact CB-CG 4.01Å; D63-P262 VanDerWaalsContact CG-CG 3.49Å; D63-P262 WeakPolarHBondContact OD1-CG 3.3Å
64V96.7Very high97.1Very high2 Ų227.3 Ų27.31%0.01213%0.133CC..Hα-helixtrans-60.4-40.3172.3-1750000111.7T57 Q60 Y61 R66 L67 F68 V95 M98 M99T57-V64 HydrophobicContact CG2-CG2 3.7Å; Q60-V64 PolarHBondContact O-N 2.99Å; Q60-V64 VanDerWaalsContact O-N 3.09Å; Y61-V64 WeakPolarHBondContact O-CB 3.42Å; Y61-V64 PolarHBondContact O-N 3.46Å; Y61-V64 VanDerWaalsContact O-N 3.1Å; V64-R66 PolarHBondContact O-N 2.67Å; V64-L67 WeakPolarHBondContact O-CB 3.3Å; V64-L67 PolarHBondContact O-N 3.39Å; V64-L67 VanDerWaalsContact O-N 3.09Å; V64-F68 HydrophobicContact CG1-CD2 4.17Å; V64-F68 HydrophobicContact CG1-CE2 3.59Å; V64-F68 HydrophobicContact CG1-CZ 4Å; V64-F68 WeakPolarHBondContact O-CD2 3.32Å; V64-F68 PolarHBondContact O-N 3.32Å; V64-F68 VanDerWaalsContact O-N 3.14Å; V64-V95 HydrophobicContact CG2-CG1 4.32Å; V64-V95 HydrophobicContact CG2-CG2 4.05Å; V64-M98 HydrophobicContact CB-CE 3.81Å; V64-M98 HydrophobicContact CG1-CE 3.28Å; V64-M99 HydrophobicContact CG1-CE 3.61Å
65L95.5Very high96.9Very high27 Ų2730.8 Ų30.814%0.14116%0.156CC..Hα-helixtrans-58.4-40.5173.4-53.8-178.5000111.3Y61 N62 D63 L67 F68 D69 W73 M98Y61-L65 HydrophobicContact CD1-CD1 4.45Å; Y61-L65 HydrophobicContact CD2-CD2 4.48Å; Y61-L65 HydrophobicContact CE1-CD1 3.9Å; Y61-L65 HydrophobicContact CE1-CD2 4.36Å; Y61-L65 HydrophobicContact CE1-CG 4.36Å; Y61-L65 HydrophobicContact CE2-CD2 3.77Å; Y61-L65 HydrophobicContact CE2-CG 4.37Å; Y61-L65 WeakPolarHBondContact O-CG 3.49Å; Y61-L65 PolarHBondContact O-N 3.34Å; Y61-L65 VanDerWaalsContact O-N 3.1Å; N62-L65 PolarHBondContact O-N 3.24Å; D63-L65 VanDerWaalsContact C-N 3.31Å; D63-L65 PolarHBondContact O-N 2.76Å; L65-L67 VanDerWaalsContact C-N 3.32Å; L65-L67 PolarHBondContact O-N 3.47Å; L65-F68 PolarHBondContact O-N 3.23Å; L65-D69 PolarHBondContact O-N 3Å; L65-W73 HydrophobicContact CB-CH2 4.22Å; L65-W73 HydrophobicContact CB-CZ2 4.46Å; L65-W73 HydrophobicContact CD2-CH2 3.65Å; L65-W73 HydrophobicContact CD2-CZ3 4.43Å; L65-M98 HydrophobicContact CD2-CE 4.35Å; L65-M98 HydrophobicContact CD2-SD 3.96Å
66R96Very high96.9Very high37 Ų3739.4 Ų39.414%0.1419%0.194CC..Hα-helixtrans-66.2-33.4176.6-62.5167.359.8-153.6-2.6112.4N62 D63 V64 F68 R70 L288 K289N62-R66 WeakPolarHBondContact O-CG 3.49Å; N62-R66 PolarHBondContact O-N 2.76Å; D63-R66 WeakPolarHBondContact O-CA 3.39Å; D63-R66 VanDerWaalsContact O-CB 3.31Å; D63-R66 WeakPolarHBondContact O-CB 3.28Å; D63-R66 PolarHBondContact O-N 2.94Å; D63-R66 IonicContact OD1-CZ 3.11Å; D63-R66 IonicContact OD1-NH1 3.58Å; D63-R66 PolarHBondContact OD1-NH1 3.08Å; V64-R66 PolarHBondContact O-N 2.67Å; R66-F68 VanDerWaalsContact C-N 3.33Å; R66-R70 VanDerWaalsContact O-CB 3.29Å; R66-R70 WeakPolarHBondContact O-CB 3.36Å; R66-R70 PolarHBondContact O-N 3.28Å; R66-R70 VanDerWaalsContact O-N 3.11Å; R66-L288 HydrophobicContact CB-CD2 3.92Å; R66-L288 WeakPolarHBondContact O-CD2 3.05Å; R66-K289 PolarHBondContact NH2-O 3.43Å
67L97.7Very high96.8Very high1 Ų140.6 Ų40.61%0.00520%0.202CC..Hα-helixtrans-59.9-47172.1-55.4-179.2000109.9T57 D63 V64 L65 R70 G71 F81 A272 M274 L288T57-L67 HydrophobicContact CG2-CD1 4.42Å; D63-L67 WeakPolarHBondContact O-CG 3.32Å; D63-L67 PolarHBondContact O-N 2.88Å; V64-L67 WeakPolarHBondContact O-CB 3.3Å; V64-L67 PolarHBondContact O-N 3.39Å; V64-L67 VanDerWaalsContact O-N 3.09Å; L65-L67 VanDerWaalsContact C-N 3.32Å; L65-L67 PolarHBondContact O-N 3.47Å; L67-R70 PolarHBondContact O-N 2.89Å; L67-G71 PolarHBondContact O-N 2.91Å; L67-F81 HydrophobicContact CD1-CE1 4.4Å; L67-A272 HydrophobicContact CD2-CB 4.42Å; L67-M274 HydrophobicContact CB-CE 4.13Å; L67-M274 HydrophobicContact CB-SD 3.73Å; L67-M274 HydrophobicContact CD2-CG 3.85Å; L67-M274 HydrophobicContact CD2-SD 3.71Å; L67-M274 HydrophobicContact CG-SD 4.26Å; L67-L288 HydrophobicContact CD2-CD1 3.77Å; L67-L288 HydrophobicContact CD2-CD2 4.46Å
68F97.1Very high96.8Very high0 Ų042.7 Ų42.70%021%0.209CC..Hα-helixtrans-69.4-38.7179.4-63.8-43.1000113.7V64 L65 R66 R70 G72 W73 P74 Y79 F81 M98 M99 F102 F110V64-F68 HydrophobicContact CG1-CD2 4.17Å; V64-F68 HydrophobicContact CG1-CE2 3.59Å; V64-F68 HydrophobicContact CG1-CZ 4Å; V64-F68 WeakPolarHBondContact O-CD2 3.32Å; V64-F68 PolarHBondContact O-N 3.32Å; V64-F68 VanDerWaalsContact O-N 3.14Å; L65-F68 PolarHBondContact O-N 3.23Å; R66-F68 VanDerWaalsContact C-N 3.33Å; F68-R70 PolarHBondContact O-N 3.25Å; F68-G72 CarbonylContact O-C 3.49Å; F68-G72 VanDerWaalsContact O-CA 3.24Å; F68-G72 WeakPolarHBondContact O-CA 3.4Å; F68-G72 PolarHBondContact O-N 3.19Å; F68-W73 HydrophobicContact CB-CD2 3.6Å; F68-W73 HydrophobicContact CB-CE3 3.64Å; F68-W73 HydrophobicContact CB-CG 4.22Å; F68-W73 HydrophobicContact CB-CH2 3.79Å; F68-W73 HydrophobicContact CB-CZ2 3.8Å; F68-W73 HydrophobicContact CB-CZ3 3.73Å; F68-W73 AromaticContact CD2-CE3 3.95Å; F68-W73 HydrophobicContact CD2-CE3 3.95Å; F68-W73 AromaticContact CD2-CH2 3.82Å; F68-W73 HydrophobicContact CD2-CH2 3.82Å; F68-W73 AromaticContact CD2-CZ3 3.42Å; F68-W73 HydrophobicContact CD2-CZ3 3.42Å; F68-W73 VanDerWaalsContact CD2-CZ3 3.42Å; F68-W73 HydrophobicContact CE2-CZ3 4.34Å; F68-W73 HydrophobicContact CG-CD2 4.44Å; F68-W73 HydrophobicContact CG-CE3 4Å; F68-W73 HydrophobicContact CG-CH2 4.28Å; F68-W73 AromaticContact CG-CZ3 3.91Å; F68-W73 HydrophobicContact CG-CZ3 3.91Å; F68-W73 PolarHBondContact O-N 2.8Å; F68-P74 HydrophobicContact CE1-CG 4.39Å; F68-Y79 AromaticContact CD1-CE1 3.96Å; F68-Y79 HydrophobicContact CD1-CE1 3.96Å; F68-Y79 HydrophobicContact CD1-CE2 4.05Å; F68-Y79 AromaticContact CD1-CZ 3.69Å; F68-Y79 HydrophobicContact CE1-CD1 4.16Å; F68-Y79 HydrophobicContact CE1-CD2 4.36Å; F68-Y79 HydrophobicContact CE1-CE1 4.02Å; F68-Y79 HydrophobicContact CE1-CE2 4.22Å; F68-Y79 HydrophobicContact CE1-CG 4.34Å; F68-F81 AromaticContact CE1-CE2 3.9Å; F68-F81 HydrophobicContact CE1-CE2 3.9Å; F68-F81 AromaticContact CE1-CZ 3.7Å; F68-F81 HydrophobicContact CE1-CZ 3.7Å; F68-F81 HydrophobicContact CZ-CE2 4.06Å; F68-F81 AromaticContact CZ-CZ 3.76Å; F68-F81 HydrophobicContact CZ-CZ 3.76Å; F68-M98 HydrophobicContact CD2-CE 4.45Å; F68-M98 HydrophobicContact CD2-SD 4.3Å; F68-M98 HydrophobicContact CE2-CE 3.72Å; F68-M98 HydrophobicContact CE2-CG 4.37Å; F68-M98 HydrophobicContact CE2-SD 3.77Å; F68-M99 HydrophobicContact CZ-CE 4.4Å; F68-F102 HydrophobicContact CD2-CE2 4.27Å; F68-F102 HydrophobicContact CE2-CD2 4.27Å; F68-F102 AromaticContact CE2-CE2 3.65Å; F68-F102 HydrophobicContact CE2-CE2 3.65Å; F68-F102 HydrophobicContact CZ-CD2 4.17Å; F68-F102 AromaticContact CZ-CE2 3.95Å; F68-F102 HydrophobicContact CZ-CE2 3.95Å; F68-F110 AromaticContact CE1-CE2 3.91Å; F68-F110 HydrophobicContact CE1-CE2 3.91Å; F68-F110 HydrophobicContact CE1-CZ 4.31Å; F68-F110 AromaticContact CZ-CE2 3.96Å; F68-F110 HydrophobicContact CZ-CE2 3.96Å; F68-F110 AromaticContact CZ-CZ 3.99Å; F68-F110 HydrophobicContact CZ-CZ 3.99Å
69D96.1Very high96.8Very high112 Ų11242.5 Ų42.560%0.59921%0.209SC*.Hα-helixtrans-57.3-35.1171.8-75.2-23.5000111.5L65 W73L65-D69 PolarHBondContact O-N 3Å; D69-W73 WeakPolarHBondContact OD1-CZ2 3.34Å; D69-W73 PolarHBondContact OD1-NE1 3.09Å
70R96.5Very high96.9Very high124 Ų12442.5 Ų42.547%0.46821%0.209SC..Hα-helixtrans-86.4-39-176.1-175.161.2-176.482.3-2.5114R66 L67 F68 I286 L288R66-R70 VanDerWaalsContact O-CB 3.29Å; R66-R70 WeakPolarHBondContact O-CB 3.36Å; R66-R70 PolarHBondContact O-N 3.28Å; R66-R70 VanDerWaalsContact O-N 3.11Å; L67-R70 PolarHBondContact O-N 2.89Å; F68-R70 PolarHBondContact O-N 3.25Å; R70-I286 HydrophobicContact CB-CD1 4.43Å; R70-I286 HydrophobicContact CG-CD1 3.49Å; R70-I286 VanDerWaalsContact CG-CD1 3.49Å; R70-L288 HydrophobicContact CB-CD2 4.09Å; R70-L288 HydrophobicContact CG-CD1 4.37Å; R70-L288 HydrophobicContact CG-CD2 4.43Å; R70-L288 HydrophobicContact CG-CG 4.49Å
71G97.2Very high97Very high9 Ų941 Ų419%0.09320%0.202CC..Hα-helixtrans-88.7-20.8-17900000113.8W52 L67 S77 Y79W52-G71 PolarHBondContact NE1-O 3.23Å; L67-G71 PolarHBondContact O-N 2.91Å; G71-S77 PolarHBondContact O-OG 3.07Å; G71-S77 VanDerWaalsContact O-OG 3.06Å; G71-Y79 WeakPolarHBondContact CA-OH 3.47Å
72G97.7Very high97.2Very high15 Ų1540.5 Ų40.516%0.15520%0.2CC..  trans101.3129.7-17200000111.4F68 S77 Y79F68-G72 CarbonylContact O-C 3.49Å; F68-G72 VanDerWaalsContact O-CA 3.24Å; F68-G72 WeakPolarHBondContact O-CA 3.4Å; F68-G72 PolarHBondContact O-N 3.19Å; G72-S77 WeakPolarHBondContact O-CB 3.31Å; G72-Y79 PolarHBondContact N-OH 2.87Å; G72-Y79 WeakPolarHBondContact O-CE2 3.16Å; G72-Y79 PolarHBondContact O-OH 2.86Å
73W97.2Very high97.4Very high68 Ų6836.4 Ų36.426%0.25818%0.178SC..  trans-65.2139.4-179.2-72.788.4000112.8Y17 L65 F68 D69 K76 F102Y17-W73 HydrophobicContact CD1-CH2 4.48Å; Y17-W73 HydrophobicContact CE1-CE3 4.07Å; Y17-W73 AromaticContact CE1-CH2 3.49Å; Y17-W73 HydrophobicContact CE1-CH2 3.49Å; Y17-W73 VanDerWaalsContact CE1-CH2 3.49Å; Y17-W73 HydrophobicContact CE1-CZ2 4.21Å; Y17-W73 AromaticContact CE1-CZ3 3.4Å; Y17-W73 HydrophobicContact CE1-CZ3 3.4Å; Y17-W73 AromaticContact CZ-CE3 3.97Å; Y17-W73 AromaticContact CZ-CZ3 3.66Å; Y17-W73 WeakPolarHBondContact OH-CZ3 3.29Å; L65-W73 HydrophobicContact CB-CH2 4.22Å; L65-W73 HydrophobicContact CB-CZ2 4.46Å; L65-W73 HydrophobicContact CD2-CH2 3.65Å; L65-W73 HydrophobicContact CD2-CZ3 4.43Å; F68-W73 HydrophobicContact CB-CD2 3.6Å; F68-W73 HydrophobicContact CB-CE3 3.64Å; F68-W73 HydrophobicContact CB-CG 4.22Å; F68-W73 HydrophobicContact CB-CH2 3.79Å; F68-W73 HydrophobicContact CB-CZ2 3.8Å; F68-W73 HydrophobicContact CB-CZ3 3.73Å; F68-W73 AromaticContact CD2-CE3 3.95Å; F68-W73 HydrophobicContact CD2-CE3 3.95Å; F68-W73 AromaticContact CD2-CH2 3.82Å; F68-W73 HydrophobicContact CD2-CH2 3.82Å; F68-W73 AromaticContact CD2-CZ3 3.42Å; F68-W73 HydrophobicContact CD2-CZ3 3.42Å; F68-W73 VanDerWaalsContact CD2-CZ3 3.42Å; F68-W73 HydrophobicContact CE2-CZ3 4.34Å; F68-W73 HydrophobicContact CG-CD2 4.44Å; F68-W73 HydrophobicContact CG-CE3 4Å; F68-W73 HydrophobicContact CG-CH2 4.28Å; F68-W73 AromaticContact CG-CZ3 3.91Å; F68-W73 HydrophobicContact CG-CZ3 3.91Å; F68-W73 PolarHBondContact O-N 2.8Å; D69-W73 WeakPolarHBondContact OD1-CZ2 3.34Å; D69-W73 PolarHBondContact OD1-NE1 3.09Å; W73-K76 WeakPolarHBondContact O-CA 3.38Å; W73-K76 WeakPolarHBondContact O-CB 3.32Å; W73-K76 PolarHBondContact O-N 3.4Å; W73-F102 HydrophobicContact CE3-CZ 4.09Å; W73-F102 HydrophobicContact CZ3-CZ 4.19Å
74P97.2Very high97.5Very high12 Ų1235 Ų358%0.07817%0.17CC..THydrogen-bonded Turntrans-56.6141.1168.5-22.833000111.6F68 Y79 F102 Y106 F110F68-P74 HydrophobicContact CE1-CG 4.39Å; P74-Y79 HydrophobicContact CG-CD2 3.99Å; P74-Y79 HydrophobicContact CG-CE2 4.07Å; P74-F102 HydrophobicContact CB-CD1 3.74Å; P74-F102 HydrophobicContact CB-CE1 3.85Å; P74-F102 HydrophobicContact CB-CG 4.32Å; P74-F102 HydrophobicContact CB-CZ 4.49Å; P74-F102 HydrophobicContact CG-CD1 3.94Å; P74-F102 HydrophobicContact CG-CD2 4.27Å; P74-F102 HydrophobicContact CG-CE1 3.94Å; P74-F102 HydrophobicContact CG-CE2 4.26Å; P74-F102 HydrophobicContact CG-CG 4.12Å; P74-F102 HydrophobicContact CG-CZ 4.1Å; P74-Y106 HydrophobicContact CB-CD2 3.86Å; P74-Y106 HydrophobicContact CB-CE2 4.02Å; P74-F110 HydrophobicContact CB-CD2 4.17Å; P74-F110 HydrophobicContact CG-CD2 3.61Å; P74-F110 HydrophobicContact CG-CE2 3.64Å
75P96.2Very high97.6Very high74 Ų7434.9 Ų34.948%0.48117%0.169SC..THydrogen-bonded Turncis-91.5104.336.5-33.8000114.1S77 Y106P75-S77 PolarHBondContact O-N 2.66Å; P75-Y106 HydrophobicContact CB-CD1 3.69Å; P75-Y106 HydrophobicContact CB-CD2 4.35Å; P75-Y106 HydrophobicContact CB-CE1 3.68Å; P75-Y106 HydrophobicContact CB-CE2 4.33Å; P75-Y106 HydrophobicContact CB-CG 4.04Å; P75-Y106 HydrophobicContact CG-CD1 4.25Å; P75-Y106 HydrophobicContact CG-CE1 3.72Å
76K97.4Very high97.8Very high181 Ų18133.6 Ų33.679%0.78716%0.163SC*.SBendtrans-61.9-27.4-179.6-172.9-177.5175-177.70112.2W73W73-K76 WeakPolarHBondContact O-CA 3.38Å; W73-K76 WeakPolarHBondContact O-CB 3.32Å; W73-K76 PolarHBondContact O-N 3.4Å
77S98Very high97.9Very high25 Ų2531.8 Ų31.818%0.17516%0.156CC..SBendtrans-135.1146.8177.9-56.70000110.6G71 G72 P75 Y79G71-S77 PolarHBondContact O-OG 3.07Å; G71-S77 VanDerWaalsContact O-OG 3.06Å; G72-S77 WeakPolarHBondContact O-CB 3.31Å; P75-S77 PolarHBondContact O-N 2.66Å; S77-Y79 WeakPolarHBondContact O-CD2 3.38Å
78R98.6Very high97.9Very high45 Ų4537.3 Ų37.317%0.1718%0.177CC..  trans-90.4144.2-179.4-53.4177.572.2-144-4.2109.3T47 S48 P50 I51 W52 S108 D109T47-R78 PolarHBondContact OG1-NH2 3.5Å; S48-R78 PolarHBondContact O-NH1 2.93Å; S48-R78 PolarHBondContact OG-NH1 2.95Å; P50-R78 WeakPolarHBondContact O-CD 3.4Å; I51-R78 HydrophobicContact CB-CB 4.4Å; I51-R78 HydrophobicContact CG1-CB 4.08Å; W52-R78 PolarHBondContact N-O 3.29Å; R78-S108 PolarHBondContact NH2-O 3.09Å; R78-S108 VanDerWaalsContact NH2-O 3.13Å; R78-D109 CarbonylContact C-O 3.54Å; R78-D109 WeakPolarHBondContact CA-O 3.47Å; R78-D109 WeakPolarHBondContact CB-O 3.32Å; R78-D109 WeakPolarHBondContact CD-OD1 3.24Å; R78-D109 HydrophobicContact CG-CB 4.05Å; R78-D109 WeakPolarHBondContact CG-OD1 3.41Å; R78-D109 IonicContact CZ-OD1 3.26Å; R78-D109 IonicContact NE-OD1 3.74Å; R78-D109 PolarHBondContact NE-OD1 3.35Å
79Y98.9Very high97.8Very high0 Ų038.3 Ų38.30%019%0.187CC..EExtended strand (participates in β ladder)trans-134.7144.2-176-73.8-92.6000112.6W52 F68 G71 G72 P74 S77 F81 D109 F110 F111 M274W52-Y79 HydrophobicContact CB-CD1 3.55Å; W52-Y79 HydrophobicContact CB-CE1 3.51Å; W52-Y79 HydrophobicContact CB-CG 4.27Å; W52-Y79 AromaticContact CD1-CZ 3.9Å; W52-Y79 HydrophobicContact CG-CD1 4.41Å; W52-Y79 AromaticContact CG-CE1 3.93Å; W52-Y79 HydrophobicContact CG-CE1 3.93Å; W52-Y79 CarbonylContact O-C 3.5Å; W52-Y79 VanDerWaalsContact O-CA 3.29Å; W52-Y79 WeakPolarHBondContact O-CA 3.4Å; F68-Y79 AromaticContact CD1-CE1 3.96Å; F68-Y79 HydrophobicContact CD1-CE1 3.96Å; F68-Y79 HydrophobicContact CD1-CE2 4.05Å; F68-Y79 AromaticContact CD1-CZ 3.69Å; F68-Y79 HydrophobicContact CE1-CD1 4.16Å; F68-Y79 HydrophobicContact CE1-CD2 4.36Å; F68-Y79 HydrophobicContact CE1-CE1 4.02Å; F68-Y79 HydrophobicContact CE1-CE2 4.22Å; F68-Y79 HydrophobicContact CE1-CG 4.34Å; G71-Y79 WeakPolarHBondContact CA-OH 3.47Å; G72-Y79 PolarHBondContact N-OH 2.87Å; G72-Y79 WeakPolarHBondContact O-CE2 3.16Å; G72-Y79 PolarHBondContact O-OH 2.86Å; P74-Y79 HydrophobicContact CG-CD2 3.99Å; P74-Y79 HydrophobicContact CG-CE2 4.07Å; S77-Y79 WeakPolarHBondContact O-CD2 3.38Å; Y79-F81 AromaticContact CD1-CE2 3.81Å; Y79-F81 HydrophobicContact CD1-CE2 3.81Å; Y79-F81 HydrophobicContact CD1-CZ 4.26Å; Y79-F81 HydrophobicContact CG-CE2 4.05Å; Y79-D109 PolarHBondContact N-O 3.02Å; Y79-F110 HydrophobicContact CD2-CD2 4.16Å; Y79-F110 HydrophobicContact CD2-CE2 4.1Å; Y79-F110 HydrophobicContact CG-CD2 4.3Å; Y79-F110 HydrophobicContact CG-CE2 4.05Å; Y79-F111 WeakPolarHBondContact O-CD2 3.35Å; Y79-F111 PolarHBondContact O-N 3.1Å; Y79-M274 HydrophobicContact CE1-CE 3.81Å
80L98.9Very high97.7Very high0 Ų036.6 Ų36.60%019%0.188CC..EExtended strand (participates in β ladder)trans-126.2112.8163.7175.764.8000108.2I51 W52 I53 C54 L82 F111 L113 V157 C163I51-L80 HydrophobicContact CD1-CB 3.79Å; I51-L80 HydrophobicContact CG1-CB 4.4Å; W52-L80 PolarHBondContact O-N 3.14Å; I53-L80 VanDerWaalsContact CA-O 3.24Å; I53-L80 WeakPolarHBondContact CA-O 3.33Å; I53-L80 HydrophobicContact CG1-CB 4.21Å; I53-L80 HydrophobicContact CG1-CD2 4.32Å; C54-L80 PolarHBondContact N-O 3.15Å; L80-L82 HydrophobicContact CD2-CD2 4.43Å; L80-L82 HydrophobicContact CG-CD2 4.35Å; L80-F111 CarbonylContact C-O 3.59Å; L80-F111 WeakPolarHBondContact CA-O 3.44Å; L80-F111 HydrophobicContact CB-CB 4.41Å; L80-F111 HydrophobicContact CD1-CB 3.5Å; L80-L113 HydrophobicContact CD1-CD1 4.11Å; L80-L113 HydrophobicContact CD1-CD2 3.94Å; L80-L113 HydrophobicContact CD1-CG 3.74Å; L80-V157 HydrophobicContact CD2-CG2 3.98Å; L80-C163 HydrophobicContact CD2-CB 3.56Å
81F98.9Very high97.7Very high0 Ų034.3 Ų34.30%018%0.183CC..EExtended strand (participates in β ladder)trans-94138.6171.3-74.3-104000110.5C54 T57 L67 F68 Y79 Y85 M99 F110 F111 I112 L113C54-F81 HydrophobicContact CB-CD1 3.54Å; C54-F81 HydrophobicContact CB-CE1 3.48Å; C54-F81 VanDerWaalsContact CB-CE1 3.48Å; C54-F81 HydrophobicContact CB-CG 4.1Å; C54-F81 HydrophobicContact CB-CZ 4Å; C54-F81 WeakPolarHBondContact O-CA 3.46Å; T57-F81 HydrophobicContact CG2-CD1 4.23Å; T57-F81 HydrophobicContact CG2-CE1 4.09Å; L67-F81 HydrophobicContact CD1-CE1 4.4Å; F68-F81 AromaticContact CE1-CE2 3.9Å; F68-F81 HydrophobicContact CE1-CE2 3.9Å; F68-F81 AromaticContact CE1-CZ 3.7Å; F68-F81 HydrophobicContact CE1-CZ 3.7Å; F68-F81 HydrophobicContact CZ-CE2 4.06Å; F68-F81 AromaticContact CZ-CZ 3.76Å; F68-F81 HydrophobicContact CZ-CZ 3.76Å; Y79-F81 AromaticContact CD1-CE2 3.81Å; Y79-F81 HydrophobicContact CD1-CE2 3.81Å; Y79-F81 HydrophobicContact CD1-CZ 4.26Å; Y79-F81 HydrophobicContact CG-CE2 4.05Å; F81-Y85 HydrophobicContact CB-CE1 3.64Å; F81-Y85 HydrophobicContact CD1-CE1 4.4Å; F81-Y85 HydrophobicContact CG-CE1 4.26Å; F81-Y85 PolarHBondContact O-OH 2.74Å; F81-M99 HydrophobicContact CD1-CE 3.94Å; F81-M99 HydrophobicContact CD1-SD 4.24Å; F81-M99 HydrophobicContact CD2-SD 4Å; F81-M99 HydrophobicContact CE1-CE 3.59Å; F81-M99 HydrophobicContact CE1-SD 4.25Å; F81-M99 HydrophobicContact CE2-CE 4.27Å; F81-M99 HydrophobicContact CE2-SD 4.02Å; F81-M99 HydrophobicContact CG-CE 4.43Å; F81-M99 HydrophobicContact CG-SD 4.13Å; F81-M99 HydrophobicContact CZ-CE 3.78Å; F81-M99 HydrophobicContact CZ-SD 4.15Å; F81-F110 HydrophobicContact CD2-CE1 4.17Å; F81-F110 HydrophobicContact CD2-CE2 4.46Å; F81-F110 AromaticContact CD2-CZ 3.79Å; F81-F110 HydrophobicContact CD2-CZ 3.79Å; F81-F110 HydrophobicContact CE2-CE1 4.29Å; F81-F110 AromaticContact CE2-CE2 3.9Å; F81-F110 HydrophobicContact CE2-CE2 3.9Å; F81-F110 AromaticContact CE2-CZ 3.47Å; F81-F110 HydrophobicContact CE2-CZ 3.47Å; F81-F110 VanDerWaalsContact CE2-CZ 3.47Å; F81-F110 HydrophobicContact CZ-CZ 4.43Å; F81-F111 PolarHBondContact N-O 3.32Å; F81-I112 HydrophobicContact CB-CG2 4.36Å; F81-L113 WeakPolarHBondContact O-CB 3.47Å; F81-L113 WeakPolarHBondContact O-CG 3.48Å; F81-L113 PolarHBondContact O-N 3.29Å
82L98.9Very high97.8Very high0 Ų033.9 Ų33.90%018%0.179CC..  trans-90.910-172.6-59-179.1000114.1I53 C54 L80 L113 C163 H165 A239I53-L82 HydrophobicContact CG2-CD1 3.74Å; I53-L82 HydrophobicContact CG2-CD2 3.8Å; I53-L82 HydrophobicContact CG2-CG 3.74Å; C54-L82 WeakPolarHBondContact O-CG 3.27Å; C54-L82 PolarHBondContact O-N 3.22Å; L80-L82 HydrophobicContact CD2-CD2 4.43Å; L80-L82 HydrophobicContact CG-CD2 4.35Å; L82-L113 HydrophobicContact CD2-CD1 3.83Å; L82-C163 HydrophobicContact CD2-CB 3.76Å; L82-H165 WeakPolarHBondContact O-CA 3.16Å; L82-H165 WeakPolarHBondContact O-CB 3.3Å; L82-H165 PolarHBondContact O-ND1 2.88Å; L82-A239 HydrophobicContact CB-CB 3.84Å; L82-A239 HydrophobicContact CD1-CB 3.96Å
83G98.8Very high97.8Very high0 Ų033.2 Ų33.20%017%0.171CC..SBendtrans105.2-173.9-179.400000114.4Y85G83-Y85 PolarHBondContact N-OH 3.46Å
84D98.9Very high97.8Very high2 Ų231.3 Ų31.31%0.01117%0.166CC..  trans57.362.7-179.4-79.717.2000112.2D56 T57 H58 G115 N116 H117 E118 H165D56-D84 HydrophobicContact CB-CB 4.01Å; T57-D84 PolarHBondContact N-O 2.97Å; T57-D84 PolarHBondContact OG1-O 3.45Å; H58-D84 IonicContact CE1-OD2 2.76Å; H58-D84 PolarHBondContact CE1-OD2 3.2Å; H58-D84 VanDerWaalsContact CE1-OD2 3.31Å; H58-D84 PolarHBondContact N-O 3.33Å; H58-D84 IonicContact NE2-OD2 3.15Å; H58-D84 PolarHBondContact NE2-OD2 3.48Å; D84-G115 VanDerWaalsContact OD1-CA 3.27Å; D84-G115 WeakPolarHBondContact OD1-CA 3.22Å; D84-N116 PolarHBondContact OD1-N 3.39Å; D84-N116 PolarHBondContact OD1-OD1 3.1Å; D84-N116 PolarHBondContact OD2-OD1 3.06Å; D84-H117 WeakPolarHBondContact OD1-CB 3.41Å; D84-H117 IonicContact OD1-CD2 3.27Å; D84-H117 IonicContact OD1-CG 2.76Å; D84-H117 PolarHBondContact OD1-N 3.03Å; D84-H117 IonicContact OD2-CD2 3.32Å; D84-H117 PolarHBondContact OD2-CD2 2.81Å; D84-H117 IonicContact OD2-CG 3.27Å; D84-E118 WeakPolarHBondContact CA-OE1 3.44Å; D84-E118 PolarHBondContact N-OE2 3.09Å; D84-H165 VanDerWaalsContact CG-NE2 3.33Å; D84-H165 IonicContact OD1-CE1 2.77Å; D84-H165 PolarHBondContact OD1-CE1 3.4Å; D84-H165 IonicContact OD1-NE2 2.69Å; D84-H165 PolarHBondContact OD1-NE2 3Å; D84-H165 IonicContact OD2-CE1 2.79Å; D84-H165 PolarHBondContact OD2-CE1 3.14Å; D84-H165 IonicContact OD2-NE2 3.67Å; D84-H165 PolarHBondContact OD2-NE2 3.03Å
85Y98.9Very high97.9Very high0 Ų030.8 Ų30.80%016%0.162CC..  trans-83.3-34.6176.6-49.7-64.6000112T57 G59 F81 G83 I96 M99 I112 L113 E118 L151T57-Y85 WeakPolarHBondContact OG1-CA 3.19Å; G59-Y85 PolarHBondContact N-O 3.2Å; F81-Y85 HydrophobicContact CB-CE1 3.64Å; F81-Y85 HydrophobicContact CD1-CE1 4.4Å; F81-Y85 HydrophobicContact CG-CE1 4.26Å; F81-Y85 PolarHBondContact O-OH 2.74Å; G83-Y85 PolarHBondContact N-OH 3.46Å; Y85-I96 HydrophobicContact CD2-CD1 3.57Å; Y85-I96 HydrophobicContact CE2-CD1 4.4Å; Y85-I96 HydrophobicContact CG-CD1 3.82Å; Y85-M99 HydrophobicContact CD1-CG 3.76Å; Y85-M99 HydrophobicContact CE1-CG 4Å; Y85-M99 HydrophobicContact CE1-SD 4.48Å; Y85-M99 HydrophobicContact CG-CG 4.41Å; Y85-I112 WeakPolarHBondContact OH-CA 3.22Å; Y85-I112 WeakPolarHBondContact OH-CB 3.5Å; Y85-L113 WeakPolarHBondContact CE2-O 3.5Å; Y85-L113 VanDerWaalsContact CZ-O 3.31Å; Y85-L113 PolarHBondContact OH-N 2.91Å; Y85-L113 VanDerWaalsContact OH-N 3.11Å; Y85-L113 PolarHBondContact OH-O 3.07Å; Y85-E118 HydrophobicContact CD2-CG 3.81Å; Y85-E118 WeakPolarHBondContact CD2-OE1 3.27Å; Y85-E118 HydrophobicContact CE2-CG 4.29Å; Y85-E118 PolarHBondContact N-OE1 2.97Å; Y85-L151 HydrophobicContact CE2-CD1 4.39Å
86V98.8Very high98Very high0 Ų027.2 Ų27.20%014%0.139CC..SBendtrans-107.9176.5-170.5-56.30000112.1H58 I96 H117 E118 N123 F128 F148H58-V86 PolarHBondContact ND1-O 2.82Å; V86-I96 HydrophobicContact CG1-CB 4.06Å; V86-I96 HydrophobicContact CG1-CG2 4.27Å; V86-H117 HydrophobicContact CG2-CB 4.28Å; V86-E118 PolarHBondContact N-OE1 3.03Å; V86-N123 HydrophobicContact CG2-CB 4.12Å; V86-F128 HydrophobicContact CB-CB 4.03Å; V86-F128 HydrophobicContact CB-CD1 4.2Å; V86-F128 HydrophobicContact CB-CD2 3.86Å; V86-F128 HydrophobicContact CB-CE2 4.34Å; V86-F128 HydrophobicContact CB-CG 3.77Å; V86-F128 HydrophobicContact CG1-CD1 4.16Å; V86-F128 HydrophobicContact CG1-CD2 3.8Å; V86-F128 HydrophobicContact CG1-CE1 4.13Å; V86-F128 HydrophobicContact CG1-CE2 3.75Å; V86-F128 HydrophobicContact CG1-CG 4Å; V86-F128 HydrophobicContact CG1-CZ 3.92Å; V86-F128 HydrophobicContact CG2-CB 4.2Å; V86-F128 HydrophobicContact CG2-CD1 4.19Å; V86-F128 HydrophobicContact CG2-CG 4.13Å; V86-F148 HydrophobicContact CG1-CZ 3.97Å
87D98.6Very high98Very high0 Ų018.6 Ų18.60%010%0.102CC..SBendtrans67.4165.1-178.3-65.4-36.7000114.4H58 G89 S92 H117 N123 Y126 G127 F128H58-D87 CarbonylContact C-O 3.52Å; H58-D87 WeakPolarHBondContact CA-O 3.47Å; D87-G89 PolarHBondContact O-N 2.81Å; D87-S92 PolarHBondContact N-OG 2.87Å; D87-H117 VanDerWaalsContact CB-ND1 3.34Å; D87-H117 WeakPolarHBondContact CB-ND1 3.37Å; D87-H117 IonicContact OD2-CE1 3.71Å; D87-H117 IonicContact OD2-CG 3.42Å; D87-H117 IonicContact OD2-ND1 2.78Å; D87-H117 PolarHBondContact OD2-ND1 2.89Å; D87-N123 WeakPolarHBondContact OD1-CA 3.34Å; D87-N123 WeakPolarHBondContact OD2-CA 3.37Å; D87-N123 WeakPolarHBondContact OD2-CB 3.47Å; D87-Y126 WeakPolarHBondContact CB-O 3.41Å; D87-Y126 VanDerWaalsContact OD1-C 3.23Å; D87-G127 PolarHBondContact OD1-N 2.89Å; D87-F128 WeakPolarHBondContact OD1-CB 3.34Å; D87-F128 PolarHBondContact OD1-N 3.21Å
88R97.3Very high98Very high116 Ų11617.5 Ų17.544%0.4389%0.093SC..SBendtrans67.9-58.3175.8-46.6-69.9-168.9140.61.2114.4H58 Y126 Y264H58-R88 HydrophobicContact CB-CB 4.25Å; R88-Y126 PolarHBondContact N-O 2.74Å; R88-Y264 HydrophobicContact CB-CE2 4.32Å; R88-Y264 HydrophobicContact CG-CE2 4.45Å; R88-Y264 WeakPolarHBondContact CG-OH 3.46Å
89G95.6Very high98Very high22 Ų2215.3 Ų15.323%0.2279%0.085CC..SBendtrans-77166.6175.600000113.2H58 D87H58-G89 WeakPolarHBondContact O-CA 3.2Å; H58-G89 PolarHBondContact O-N 3.43Å; D87-G89 PolarHBondContact O-N 2.81Å
90A93.9Very high98Very high75 Ų7515.3 Ų15.362%0.629%0.085SC*.SBendtrans-86.7-7.1-172.700000114.9
91H96.5Very high98Very high77 Ų7715.5 Ų15.536%0.3569%0.086SC..  trans-128.842.4-172.8-55.3-66.2000111.9G59 T93 E94 V95G59-H91 CarbonylContact O-C 3.58Å; G59-H91 WeakPolarHBondContact O-CA 3.31Å; G59-H91 WeakPolarHBondContact O-CB 3.23Å; G59-H91 PolarHBondContact O-N 2.69Å; G59-H91 VanDerWaalsContact O-N 3.1Å; H91-T93 VanDerWaalsContact C-N 3.29Å; H91-T93 PolarHBondContact O-N 3.41Å; H91-E94 WeakPolarHBondContact CA-OE2 3.06Å; H91-E94 HydrophobicContact CB-CB 4.23Å; H91-E94 IonicContact ND1-OE2 2.76Å; H91-E94 PolarHBondContact O-N 2.89Å; H91-V95 WeakPolarHBondContact O-CG2 3.42Å; H91-V95 PolarHBondContact O-N 3.05Å
92S98.4Very high98Very high0 Ų015.5 Ų15.50%09%0.086CC..Hα-helixtrans-59.8-41.9179.8-58.70000111.4D87 V95 I96 E131D87-S92 PolarHBondContact N-OG 2.87Å; S92-V95 PolarHBondContact O-N 3.18Å; S92-I96 VanDerWaalsContact O-CG2 3.31Å; S92-I96 WeakPolarHBondContact O-CG2 3.46Å; S92-I96 PolarHBondContact O-N 2.64Å; S92-E131 WeakPolarHBondContact CB-OE2 3.48Å; S92-E131 PolarHBondContact N-OE1 3.11Å; S92-E131 PolarHBondContact N-OE2 3.12Å; S92-E131 PolarHBondContact OG-OE2 3.16Å
93T97.9Very high98Very high0 Ų015.5 Ų15.50%09%0.086CC..Hα-helixtrans-62.4-45.1179.7-51.40000110.9H91 I96 C97 E131 F136 F144H91-T93 VanDerWaalsContact C-N 3.29Å; H91-T93 PolarHBondContact O-N 3.41Å; T93-I96 WeakPolarHBondContact O-CG2 3.28Å; T93-C97 WeakPolarHBondContact O-CB 3.32Å; T93-C97 PolarHBondContact O-N 2.6Å; T93-C97 PolarHBondContact O-SG 2.72Å; T93-E131 WeakPolarHBondContact CB-OE1 3.34Å; T93-E131 PolarHBondContact N-OE1 3Å; T93-E131 PolarHBondContact OG1-OE1 2.91Å; T93-F136 HydrophobicContact CG2-CE2 3.81Å; T93-F136 HydrophobicContact CG2-CZ 4.26Å; T93-F144 HydrophobicContact CG2-CZ 4.24Å
94E97.5Very high97.9Very high29 Ų2916 Ų1614%0.1369%0.089CC..Hα-helixtrans-61.2-47175.6-73.369-160.500111.3M16 Y61 H91 M98 R135M16-E94 HydrophobicContact CE-CB 4.16Å; M16-E94 WeakPolarHBondContact CE-O 3.27Å; Y61-E94 HydrophobicContact CD1-CB 4.29Å; Y61-E94 HydrophobicContact CD2-CB 3.62Å; Y61-E94 HydrophobicContact CE2-CB 4.09Å; Y61-E94 HydrophobicContact CG-CB 3.73Å; Y61-E94 HydrophobicContact CG-CG 4.43Å; H91-E94 WeakPolarHBondContact CA-OE2 3.06Å; H91-E94 HydrophobicContact CB-CB 4.23Å; H91-E94 IonicContact ND1-OE2 2.76Å; H91-E94 PolarHBondContact O-N 2.89Å; E94-M98 WeakPolarHBondContact O-CB 3.29Å; E94-M98 PolarHBondContact O-N 2.86Å; E94-R135 IonicContact OE1-CZ 3.78Å; E94-R135 IonicContact OE1-NH1 2.72Å; E94-R135 PolarHBondContact OE1-NH1 2.99Å; E94-R135 IonicContact OE1-NH2 3.21Å; E94-R135 PolarHBondContact OE1-NH2 3.08Å; E94-R135 IonicContact OE2-CZ 3.25Å; E94-R135 IonicContact OE2-NH1 3.74Å; E94-R135 PolarHBondContact OE2-NH1 3.4Å; E94-R135 IonicContact OE2-NH2 2.83Å
95V98.1Very high97.9Very high0 Ų016.1 Ų16.10%09%0.09CC..Hα-helixtrans-59.4-54.6179.2173.30000110.6T57 Y61 V64 H91 S92 C97 M98 M99T57-V95 WeakPolarHBondContact OG1-CG1 3.23Å; Y61-V95 HydrophobicContact CD2-CG2 4.46Å; V64-V95 HydrophobicContact CG2-CG1 4.32Å; V64-V95 HydrophobicContact CG2-CG2 4.05Å; H91-V95 WeakPolarHBondContact O-CG2 3.42Å; H91-V95 PolarHBondContact O-N 3.05Å; S92-V95 PolarHBondContact O-N 3.18Å; V95-C97 PolarHBondContact O-N 2.99Å; V95-M98 WeakPolarHBondContact O-CB 3.49Å; V95-M98 PolarHBondContact O-N 3.03Å; V95-M99 HydrophobicContact CG1-CE 4.09Å; V95-M99 WeakPolarHBondContact O-CG 3.39Å; V95-M99 PolarHBondContact O-N 2.78Å
96I98.7Very high97.9Very high0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-67.5-37.1-175.6-168.763.8000112.6Y85 V86 S92 T93 M98 M99 F100 F128 F144 F148Y85-I96 HydrophobicContact CD2-CD1 3.57Å; Y85-I96 HydrophobicContact CE2-CD1 4.4Å; Y85-I96 HydrophobicContact CG-CD1 3.82Å; V86-I96 HydrophobicContact CG1-CB 4.06Å; V86-I96 HydrophobicContact CG1-CG2 4.27Å; S92-I96 VanDerWaalsContact O-CG2 3.31Å; S92-I96 WeakPolarHBondContact O-CG2 3.46Å; S92-I96 PolarHBondContact O-N 2.64Å; T93-I96 WeakPolarHBondContact O-CG2 3.28Å; I96-M98 VanDerWaalsContact C-N 3.3Å; I96-M98 PolarHBondContact O-N 3.06Å; I96-M99 HydrophobicContact CD1-CB 4.47Å; I96-M99 PolarHBondContact O-N 2.75Å; I96-F100 HydrophobicContact CD1-CD1 4.02Å; I96-F100 HydrophobicContact CD1-CE1 3.58Å; I96-F100 HydrophobicContact CD1-CZ 3.88Å; I96-F100 HydrophobicContact CG1-CD1 4.23Å; I96-F100 HydrophobicContact CG1-CD2 4.33Å; I96-F100 HydrophobicContact CG1-CE1 3.9Å; I96-F100 HydrophobicContact CG1-CE2 4Å; I96-F100 HydrophobicContact CG1-CG 4.45Å; I96-F100 HydrophobicContact CG1-CZ 3.77Å; I96-F100 WeakPolarHBondContact O-CB 3.14Å; I96-F100 WeakPolarHBondContact O-CG 2.98Å; I96-F100 PolarHBondContact O-N 3.46Å; I96-F128 HydrophobicContact CG2-CE2 4.27Å; I96-F128 HydrophobicContact CG2-CZ 4.17Å; I96-F144 HydrophobicContact CG1-CE1 4.47Å; I96-F144 HydrophobicContact CG2-CD1 4.26Å; I96-F144 HydrophobicContact CG2-CE1 3.63Å; I96-F144 HydrophobicContact CG2-CZ 4.13Å; I96-F148 HydrophobicContact CD1-CE1 3.74Å; I96-F148 HydrophobicContact CD1-CZ 4.46Å; I96-F148 HydrophobicContact CG1-CE1 3.73Å; I96-F148 HydrophobicContact CG1-CZ 4.15Å
97C98.6Very high97.8Very high0 Ų021.2 Ų21.20%012%0.116CC..Hα-helixtrans-62.7-37.9174.6-77.80000111.9F22 I30 T93 V95 F100 L101F22-C97 HydrophobicContact CD2-CB 4.32Å; F22-C97 HydrophobicContact CE2-CB 3.68Å; F22-C97 HydrophobicContact CZ-CB 4.34Å; I30-C97 HydrophobicContact CD1-CB 4.06Å; I30-C97 HydrophobicContact CG2-CB 4.34Å; T93-C97 WeakPolarHBondContact O-CB 3.32Å; T93-C97 PolarHBondContact O-N 2.6Å; T93-C97 PolarHBondContact O-SG 2.72Å; V95-C97 PolarHBondContact O-N 2.99Å; C97-F100 PolarHBondContact O-N 2.8Å; C97-L101 WeakPolarHBondContact O-CB 3.34Å; C97-L101 VanDerWaalsContact O-CG 3.32Å; C97-L101 WeakPolarHBondContact O-CG 3.04Å; C97-L101 PolarHBondContact O-N 3.05Å
98M98Very high97.7Very high1 Ų125.1 Ų25.11%0.00514%0.144CC..Hα-helixtrans-64.6-46175.1-173165.654.500111.7M16 Y61 V64 L65 F68 E94 V95 I96 F100 L101 F102M16-M98 HydrophobicContact CE-CB 3.66Å; M16-M98 HydrophobicContact CE-CG 4.46Å; M16-M98 HydrophobicContact SD-CB 3.82Å; M16-M98 HydrophobicContact SD-CG 4.25Å; Y61-M98 HydrophobicContact CD2-CE 3.93Å; Y61-M98 HydrophobicContact CE2-CE 3.79Å; Y61-M98 HydrophobicContact CE2-SD 3.84Å; V64-M98 HydrophobicContact CB-CE 3.81Å; V64-M98 HydrophobicContact CG1-CE 3.28Å; L65-M98 HydrophobicContact CD2-CE 4.35Å; L65-M98 HydrophobicContact CD2-SD 3.96Å; F68-M98 HydrophobicContact CD2-CE 4.45Å; F68-M98 HydrophobicContact CD2-SD 4.3Å; F68-M98 HydrophobicContact CE2-CE 3.72Å; F68-M98 HydrophobicContact CE2-CG 4.37Å; F68-M98 HydrophobicContact CE2-SD 3.77Å; E94-M98 WeakPolarHBondContact O-CB 3.29Å; E94-M98 PolarHBondContact O-N 2.86Å; V95-M98 WeakPolarHBondContact O-CB 3.49Å; V95-M98 PolarHBondContact O-N 3.03Å; I96-M98 VanDerWaalsContact C-N 3.3Å; I96-M98 PolarHBondContact O-N 3.06Å; M98-F100 VanDerWaalsContact C-N 3.31Å; M98-F100 PolarHBondContact O-N 2.93Å; M98-L101 PolarHBondContact O-N 3.48Å; M98-F102 HydrophobicContact CG-CD2 3.72Å; M98-F102 HydrophobicContact CG-CE2 3.44Å; M98-F102 VanDerWaalsContact CG-CE2 3.44Å; M98-F102 HydrophobicContact CG-CZ 4.44Å; M98-F102 WeakPolarHBondContact O-CD2 3.08Å; M98-F102 PolarHBondContact O-N 3.31Å; M98-F102 HydrophobicContact SD-CE2 4.01Å
99M98.7Very high97.8Very high0 Ų022.2 Ų22.20%014%0.137CC..Hα-helixtrans-57.8-45.7175.8-66.3-48157.400111.6V64 F68 F81 Y85 V95 I96 F102 K103 F110 I112V64-M99 HydrophobicContact CG1-CE 3.61Å; F68-M99 HydrophobicContact CZ-CE 4.4Å; F81-M99 HydrophobicContact CD1-CE 3.94Å; F81-M99 HydrophobicContact CD1-SD 4.24Å; F81-M99 HydrophobicContact CD2-SD 4Å; F81-M99 HydrophobicContact CE1-CE 3.59Å; F81-M99 HydrophobicContact CE1-SD 4.25Å; F81-M99 HydrophobicContact CE2-CE 4.27Å; F81-M99 HydrophobicContact CE2-SD 4.02Å; F81-M99 HydrophobicContact CG-CE 4.43Å; F81-M99 HydrophobicContact CG-SD 4.13Å; F81-M99 HydrophobicContact CZ-CE 3.78Å; F81-M99 HydrophobicContact CZ-SD 4.15Å; Y85-M99 HydrophobicContact CD1-CG 3.76Å; Y85-M99 HydrophobicContact CE1-CG 4Å; Y85-M99 HydrophobicContact CE1-SD 4.48Å; Y85-M99 HydrophobicContact CG-CG 4.41Å; V95-M99 HydrophobicContact CG1-CE 4.09Å; V95-M99 WeakPolarHBondContact O-CG 3.39Å; V95-M99 PolarHBondContact O-N 2.78Å; I96-M99 HydrophobicContact CD1-CB 4.47Å; I96-M99 PolarHBondContact O-N 2.75Å; M99-F102 PolarHBondContact O-N 2.91Å; M99-K103 WeakPolarHBondContact O-CB 3.34Å; M99-K103 PolarHBondContact O-N 3.27Å; M99-F110 HydrophobicContact SD-CE1 3.75Å; M99-F110 HydrophobicContact SD-CZ 3.6Å; M99-I112 HydrophobicContact CB-CD1 4.42Å; M99-I112 HydrophobicContact CB-CG2 4.14Å; M99-I112 HydrophobicContact SD-CG2 4.45Å
100F98.8Very high97.9Very high0 Ų021.1 Ų21.10%013%0.126CC..Hα-helixtrans-63.1-46.1177.6-80.65.6000112.5I30 I31 A34 L38 I96 C97 M98 F102 K103 S104 I112 F144 A147 F148I30-F100 HydrophobicContact CG2-CB 3.46Å; I30-F100 VanDerWaalsContact CG2-CB 3.46Å; I30-F100 HydrophobicContact CG2-CD2 4.2Å; I30-F100 HydrophobicContact CG2-CG 4.37Å; I31-F100 HydrophobicContact CG1-CD2 4.36Å; I31-F100 HydrophobicContact CG1-CE2 4.24Å; A34-F100 HydrophobicContact CB-CB 3.57Å; A34-F100 HydrophobicContact CB-CD1 3.75Å; A34-F100 HydrophobicContact CB-CD2 3.66Å; A34-F100 HydrophobicContact CB-CE1 4.33Å; A34-F100 HydrophobicContact CB-CE2 4.26Å; A34-F100 HydrophobicContact CB-CG 3.37Å; L38-F100 HydrophobicContact CD1-CE1 4.48Å; I96-F100 HydrophobicContact CD1-CD1 4.02Å; I96-F100 HydrophobicContact CD1-CE1 3.58Å; I96-F100 HydrophobicContact CD1-CZ 3.88Å; I96-F100 HydrophobicContact CG1-CD1 4.23Å; I96-F100 HydrophobicContact CG1-CD2 4.33Å; I96-F100 HydrophobicContact CG1-CE1 3.9Å; I96-F100 HydrophobicContact CG1-CE2 4Å; I96-F100 HydrophobicContact CG1-CG 4.45Å; I96-F100 HydrophobicContact CG1-CZ 3.77Å; I96-F100 WeakPolarHBondContact O-CB 3.14Å; I96-F100 WeakPolarHBondContact O-CG 2.98Å; I96-F100 PolarHBondContact O-N 3.46Å; C97-F100 PolarHBondContact O-N 2.8Å; M98-F100 VanDerWaalsContact C-N 3.31Å; M98-F100 PolarHBondContact O-N 2.93Å; F100-F102 PolarHBondContact O-N 3.43Å; F100-K103 PolarHBondContact O-N 3.11Å; F100-S104 WeakPolarHBondContact O-CB 3.25Å; F100-S104 PolarHBondContact O-N 3.18Å; F100-S104 PolarHBondContact O-OG 3.33Å; F100-I112 HydrophobicContact CD1-CD1 3.79Å; F100-I112 HydrophobicContact CE1-CD1 4.01Å; F100-F144 HydrophobicContact CD2-CE1 4.46Å; F100-F144 AromaticContact CE2-CD1 3.97Å; F100-F144 HydrophobicContact CE2-CD1 3.97Å; F100-F144 HydrophobicContact CE2-CE1 4.1Å; F100-A147 HydrophobicContact CE2-CB 3.86Å; F100-A147 HydrophobicContact CZ-CB 3.76Å; F100-F148 HydrophobicContact CZ-CD1 4.17Å; F100-F148 AromaticContact CZ-CE1 3.97Å; F100-F148 HydrophobicContact CZ-CE1 3.97Å
101L98.5Very high98.1Very high3 Ų318.1 Ų18.12%0.01610%0.099CC..Hα-helixtrans-60-47.3176-79168.7000111.9A9 L12 L13 M16 F22 I30 C97 M98 S104 L105A9-L101 HydrophobicContact CB-CD2 3.88Å; L12-L101 HydrophobicContact CB-CD1 3.96Å; L12-L101 HydrophobicContact CB-CD2 4.03Å; L12-L101 HydrophobicContact CD1-CD2 4.39Å; L13-L101 HydrophobicContact CD2-CB 3.75Å; L13-L101 HydrophobicContact CD2-CD1 3.83Å; L13-L101 HydrophobicContact CD2-CG 4.42Å; L13-L101 HydrophobicContact CG-CB 4.04Å; L13-L101 HydrophobicContact CG-CD1 4.05Å; M16-L101 HydrophobicContact SD-CD1 3.89Å; F22-L101 HydrophobicContact CZ-CD1 4.26Å; I30-L101 HydrophobicContact CD1-CD1 3.94Å; I30-L101 HydrophobicContact CD1-CD2 4.36Å; I30-L101 HydrophobicContact CD1-CG 4.1Å; I30-L101 HydrophobicContact CG1-CD1 4.32Å; I30-L101 HydrophobicContact CG1-CD2 3.84Å; I30-L101 HydrophobicContact CG1-CG 3.96Å; I30-L101 HydrophobicContact CG2-CG 4.11Å; C97-L101 WeakPolarHBondContact O-CB 3.34Å; C97-L101 VanDerWaalsContact O-CG 3.32Å; C97-L101 WeakPolarHBondContact O-CG 3.04Å; C97-L101 PolarHBondContact O-N 3.05Å; M98-L101 PolarHBondContact O-N 3.48Å; L101-S104 PolarHBondContact O-N 3.4Å; L101-L105 WeakPolarHBondContact O-CB 3.32Å; L101-L105 WeakPolarHBondContact O-CG 3.29Å; L101-L105 PolarHBondContact O-N 3.5Å
102F98.5Very high98.3Very high1 Ų114.5 Ų14.50%0.0048%0.082CC..Hα-helixtrans-65.2-42.8178.1-74.9-49.1000112.5L13 F68 W73 P74 M98 M99 F100 S104 L105 Y106 F110L13-F102 HydrophobicContact CD1-CD1 4.07Å; L13-F102 HydrophobicContact CD1-CE1 3.76Å; L13-F102 HydrophobicContact CD2-CD1 4.41Å; L13-F102 HydrophobicContact CD2-CE1 4.08Å; L13-F102 HydrophobicContact CD2-CE2 4.45Å; L13-F102 HydrophobicContact CD2-CZ 4.1Å; F68-F102 HydrophobicContact CD2-CE2 4.27Å; F68-F102 HydrophobicContact CE2-CD2 4.27Å; F68-F102 AromaticContact CE2-CE2 3.65Å; F68-F102 HydrophobicContact CE2-CE2 3.65Å; F68-F102 HydrophobicContact CZ-CD2 4.17Å; F68-F102 AromaticContact CZ-CE2 3.95Å; F68-F102 HydrophobicContact CZ-CE2 3.95Å; W73-F102 HydrophobicContact CE3-CZ 4.09Å; W73-F102 HydrophobicContact CZ3-CZ 4.19Å; P74-F102 HydrophobicContact CB-CD1 3.74Å; P74-F102 HydrophobicContact CB-CE1 3.85Å; P74-F102 HydrophobicContact CB-CG 4.32Å; P74-F102 HydrophobicContact CB-CZ 4.49Å; P74-F102 HydrophobicContact CG-CD1 3.94Å; P74-F102 HydrophobicContact CG-CD2 4.27Å; P74-F102 HydrophobicContact CG-CE1 3.94Å; P74-F102 HydrophobicContact CG-CE2 4.26Å; P74-F102 HydrophobicContact CG-CG 4.12Å; P74-F102 HydrophobicContact CG-CZ 4.1Å; M98-F102 HydrophobicContact CG-CD2 3.72Å; M98-F102 HydrophobicContact CG-CE2 3.44Å; M98-F102 VanDerWaalsContact CG-CE2 3.44Å; M98-F102 HydrophobicContact CG-CZ 4.44Å; M98-F102 WeakPolarHBondContact O-CD2 3.08Å; M98-F102 PolarHBondContact O-N 3.31Å; M98-F102 HydrophobicContact SD-CE2 4.01Å; M99-F102 PolarHBondContact O-N 2.91Å; F100-F102 PolarHBondContact O-N 3.43Å; F102-S104 VanDerWaalsContact C-N 3.31Å; F102-S104 PolarHBondContact O-N 3.04Å; F102-L105 PolarHBondContact O-N 3.44Å; F102-Y106 AromaticContact CD1-CD2 3.96Å; F102-Y106 HydrophobicContact CD1-CD2 3.96Å; F102-Y106 AromaticContact CD1-CE2 3.81Å; F102-Y106 HydrophobicContact CD1-CE2 3.81Å; F102-Y106 HydrophobicContact CE1-CE2 4.27Å; F102-Y106 PolarHBondContact O-N 3.36Å; F102-F110 HydrophobicContact CB-CB 4.29Å; F102-F110 HydrophobicContact CB-CD1 3.6Å; F102-F110 HydrophobicContact CB-CD2 3.68Å; F102-F110 HydrophobicContact CB-CE1 3.73Å; F102-F110 HydrophobicContact CB-CE2 3.8Å; F102-F110 HydrophobicContact CB-CG 3.57Å; F102-F110 HydrophobicContact CB-CZ 3.83Å; F102-F110 AromaticContact CD2-CE2 3.89Å; F102-F110 HydrophobicContact CD2-CE2 3.89Å; F102-F110 AromaticContact CD2-CZ 3.91Å; F102-F110 HydrophobicContact CD2-CZ 3.91Å; F102-F110 HydrophobicContact CG-CD2 4.2Å; F102-F110 HydrophobicContact CG-CE2 4.03Å; F102-F110 HydrophobicContact CG-CZ 4.25Å
103K98.6Very high98.3Very high0 Ų014.5 Ų14.50%08%0.082CC..Hα-helixtrans-59.8-41.8174.5175.559.4-170.9-178.40111.7A37 L38 D41 M99 F100 P107 F110 I112A37-K103 HydrophobicContact CB-CG 4.06Å; L38-K103 HydrophobicContact CD2-CG 4.16Å; L38-K103 HydrophobicContact CG-CG 4.47Å; D41-K103 IonicContact OD1-NZ 3.58Å; D41-K103 PolarHBondContact OD1-NZ 2.92Å; D41-K103 WeakPolarHBondContact OD2-CE 3.26Å; D41-K103 IonicContact OD2-NZ 3.65Å; D41-K103 PolarHBondContact OD2-NZ 3.11Å; M99-K103 WeakPolarHBondContact O-CB 3.34Å; M99-K103 PolarHBondContact O-N 3.27Å; F100-K103 PolarHBondContact O-N 3.11Å; K103-P107 PolarHBondContact NZ-O 3.05Å; K103-P107 WeakPolarHBondContact O-CA 3.5Å; K103-P107 WeakPolarHBondContact O-CB 3.43Å; K103-F110 HydrophobicContact CB-CD1 4.46Å; K103-F110 WeakPolarHBondContact CD-O 3.36Å; K103-I112 HydrophobicContact CB-CD1 3.99Å; K103-I112 HydrophobicContact CB-CG1 4.33Å; K103-I112 HydrophobicContact CG-CD1 4.24Å; K103-I112 HydrophobicContact CG-CG1 4.31Å
104S98.4Very high98.3Very high9 Ų914.6 Ų14.66%0.0638%0.082CC..Hα-helixtrans-65.6-45.6177.2-64.50000112M1 Q33 A34 F100 L101 F102M1-S104 WeakPolarHBondContact CE-O 3.38Å; Q33-S104 WeakPolarHBondContact CB-OG 3.44Å; Q33-S104 PolarHBondContact O-OG 2.99Å; A34-S104 WeakPolarHBondContact CA-OG 3.16Å; A34-S104 PolarHBondContact N-OG 3.1Å; A34-S104 VanDerWaalsContact N-OG 3.13Å; F100-S104 WeakPolarHBondContact O-CB 3.25Å; F100-S104 PolarHBondContact O-N 3.18Å; F100-S104 PolarHBondContact O-OG 3.33Å; L101-S104 PolarHBondContact O-N 3.4Å; F102-S104 VanDerWaalsContact C-N 3.31Å; F102-S104 PolarHBondContact O-N 3.04Å
105L97.9Very high98.4Very high5 Ų513.2 Ų13.23%0.0268%0.076CC..Hα-helixtrans-72.7-35.7-175.8-75.7165.8000113.7M1 R6 A9 L13 L101 F102 P107M1-L105 HydrophobicContact CE-CD2 3.93Å; M1-L105 HydrophobicContact CE-CG 4.26Å; R6-L105 HydrophobicContact CG-CD2 3.72Å; R6-L105 PolarHBondContact NH2-O 3.33Å; R6-L105 VanDerWaalsContact NH2-O 3.16Å; A9-L105 HydrophobicContact CB-CD1 4.27Å; A9-L105 HydrophobicContact CB-CD2 3.88Å; A9-L105 HydrophobicContact CB-CG 4.02Å; L13-L105 HydrophobicContact CD1-CD1 3.3Å; L13-L105 HydrophobicContact CG-CD1 4.11Å; L101-L105 WeakPolarHBondContact O-CB 3.32Å; L101-L105 WeakPolarHBondContact O-CG 3.29Å; L101-L105 PolarHBondContact O-N 3.5Å; F102-L105 PolarHBondContact O-N 3.44Å; L105-P107 VanDerWaalsContact C-CD 3.48Å
106Y97.9Very high98.4Very high55 Ų5513.4 Ų13.422%0.2168%0.077CC..  trans-131.957.6-171.9-46.9-58.5000111.8P74 P75 F102 S108 D109 F110P74-Y106 HydrophobicContact CB-CD2 3.86Å; P74-Y106 HydrophobicContact CB-CE2 4.02Å; P75-Y106 HydrophobicContact CB-CD1 3.69Å; P75-Y106 HydrophobicContact CB-CD2 4.35Å; P75-Y106 HydrophobicContact CB-CE1 3.68Å; P75-Y106 HydrophobicContact CB-CE2 4.33Å; P75-Y106 HydrophobicContact CB-CG 4.04Å; P75-Y106 HydrophobicContact CG-CD1 4.25Å; P75-Y106 HydrophobicContact CG-CE1 3.72Å; F102-Y106 AromaticContact CD1-CD2 3.96Å; F102-Y106 HydrophobicContact CD1-CD2 3.96Å; F102-Y106 AromaticContact CD1-CE2 3.81Å; F102-Y106 HydrophobicContact CD1-CE2 3.81Å; F102-Y106 HydrophobicContact CE1-CE2 4.27Å; F102-Y106 PolarHBondContact O-N 3.36Å; Y106-S108 PolarHBondContact O-N 3.19Å; Y106-D109 PolarHBondContact O-N 2.91Å; Y106-F110 PolarHBondContact O-N 3.03Å
107P97.6Very high98.4Very high52 Ų5213.9 Ų13.934%0.3388%0.079SC..THydrogen-bonded Turntrans-63.4-19.4-168.425.2-35.7000115.1K103 L105K103-P107 PolarHBondContact NZ-O 3.05Å; K103-P107 WeakPolarHBondContact O-CA 3.5Å; K103-P107 WeakPolarHBondContact O-CB 3.43Å; L105-P107 VanDerWaalsContact C-CD 3.48Å
108S97.1Very high98.4Very high82 Ų8213.9 Ų13.957%0.5738%0.079SC*.THydrogen-bonded Turntrans-95.7-5.4178.8-56.60000114R78 Y106 F111R78-S108 PolarHBondContact NH2-O 3.09Å; R78-S108 VanDerWaalsContact NH2-O 3.13Å; Y106-S108 PolarHBondContact O-N 3.19Å; S108-F111 VanDerWaalsContact C-CZ 3.5Å; S108-F111 WeakPolarHBondContact O-CE2 3.24Å; S108-F111 WeakPolarHBondContact O-CZ 3.29Å
109D98.1Very high98.4Very high55 Ų5514.7 Ų14.729%0.2949%0.085SC..THydrogen-bonded Turntrans-130.1-15.9-173.3-65.2-60.4000113.3R78 Y79 Y106R78-D109 CarbonylContact C-O 3.54Å; R78-D109 WeakPolarHBondContact CA-O 3.47Å; R78-D109 WeakPolarHBondContact CB-O 3.32Å; R78-D109 WeakPolarHBondContact CD-OD1 3.24Å; R78-D109 HydrophobicContact CG-CB 4.05Å; R78-D109 WeakPolarHBondContact CG-OD1 3.41Å; R78-D109 IonicContact CZ-OD1 3.26Å; R78-D109 IonicContact NE-OD1 3.74Å; R78-D109 PolarHBondContact NE-OD1 3.35Å; Y79-D109 PolarHBondContact N-O 3.02Å; Y106-D109 PolarHBondContact O-N 2.91Å
110F98.7Very high98.3Very high0 Ų018.2 Ų18.20%010%0.102CC..EExtended strand (participates in β ladder)trans-125.1111.1177.7-159.1-83.2000109.9F68 P74 Y79 F81 M99 F102 K103 Y106 I112F68-F110 AromaticContact CE1-CE2 3.91Å; F68-F110 HydrophobicContact CE1-CE2 3.91Å; F68-F110 HydrophobicContact CE1-CZ 4.31Å; F68-F110 AromaticContact CZ-CE2 3.96Å; F68-F110 HydrophobicContact CZ-CE2 3.96Å; F68-F110 AromaticContact CZ-CZ 3.99Å; F68-F110 HydrophobicContact CZ-CZ 3.99Å; P74-F110 HydrophobicContact CB-CD2 4.17Å; P74-F110 HydrophobicContact CG-CD2 3.61Å; P74-F110 HydrophobicContact CG-CE2 3.64Å; Y79-F110 HydrophobicContact CD2-CD2 4.16Å; Y79-F110 HydrophobicContact CD2-CE2 4.1Å; Y79-F110 HydrophobicContact CG-CD2 4.3Å; Y79-F110 HydrophobicContact CG-CE2 4.05Å; F81-F110 HydrophobicContact CD2-CE1 4.17Å; F81-F110 HydrophobicContact CD2-CE2 4.46Å; F81-F110 AromaticContact CD2-CZ 3.79Å; F81-F110 HydrophobicContact CD2-CZ 3.79Å; F81-F110 HydrophobicContact CE2-CE1 4.29Å; F81-F110 AromaticContact CE2-CE2 3.9Å; F81-F110 HydrophobicContact CE2-CE2 3.9Å; F81-F110 AromaticContact CE2-CZ 3.47Å; F81-F110 HydrophobicContact CE2-CZ 3.47Å; F81-F110 VanDerWaalsContact CE2-CZ 3.47Å; F81-F110 HydrophobicContact CZ-CZ 4.43Å; M99-F110 HydrophobicContact SD-CE1 3.75Å; M99-F110 HydrophobicContact SD-CZ 3.6Å; F102-F110 HydrophobicContact CB-CB 4.29Å; F102-F110 HydrophobicContact CB-CD1 3.6Å; F102-F110 HydrophobicContact CB-CD2 3.68Å; F102-F110 HydrophobicContact CB-CE1 3.73Å; F102-F110 HydrophobicContact CB-CE2 3.8Å; F102-F110 HydrophobicContact CB-CG 3.57Å; F102-F110 HydrophobicContact CB-CZ 3.83Å; F102-F110 AromaticContact CD2-CE2 3.89Å; F102-F110 HydrophobicContact CD2-CE2 3.89Å; F102-F110 AromaticContact CD2-CZ 3.91Å; F102-F110 HydrophobicContact CD2-CZ 3.91Å; F102-F110 HydrophobicContact CG-CD2 4.2Å; F102-F110 HydrophobicContact CG-CE2 4.03Å; F102-F110 HydrophobicContact CG-CZ 4.25Å; K103-F110 HydrophobicContact CB-CD1 4.46Å; K103-F110 WeakPolarHBondContact CD-O 3.36Å; Y106-F110 PolarHBondContact O-N 3.03Å; F110-I112 HydrophobicContact CD1-CG2 3.97Å; F110-I112 HydrophobicContact CE1-CG2 3.6Å
111F98.9Very high98.1Very high12 Ų1222.8 Ų22.85%0.05313%0.132CC..EExtended strand (participates in β ladder)trans-116.2139.9-175.2-54.1-82.3000109.9V45 T47 I51 Y79 L80 F81 S108V45-F111 HydrophobicContact CG1-CB 4.21Å; V45-F111 HydrophobicContact CG1-CD1 3.29Å; V45-F111 HydrophobicContact CG1-CE1 3.74Å; V45-F111 HydrophobicContact CG1-CG 3.84Å; T47-F111 HydrophobicContact CG2-CD2 4.37Å; T47-F111 HydrophobicContact CG2-CE2 4.15Å; T47-F111 WeakPolarHBondContact OG1-CE2 3.49Å; T47-F111 VanDerWaalsContact OG1-CZ 3.28Å; T47-F111 WeakPolarHBondContact OG1-CZ 3.21Å; I51-F111 HydrophobicContact CD1-CD2 4.04Å; I51-F111 HydrophobicContact CD1-CE2 4.33Å; Y79-F111 WeakPolarHBondContact O-CD2 3.35Å; Y79-F111 PolarHBondContact O-N 3.1Å; L80-F111 CarbonylContact C-O 3.59Å; L80-F111 WeakPolarHBondContact CA-O 3.44Å; L80-F111 HydrophobicContact CB-CB 4.41Å; L80-F111 HydrophobicContact CD1-CB 3.5Å; F81-F111 PolarHBondContact N-O 3.32Å; S108-F111 VanDerWaalsContact C-CZ 3.5Å; S108-F111 WeakPolarHBondContact O-CE2 3.24Å; S108-F111 WeakPolarHBondContact O-CZ 3.29Å
112I98.9Very high98.1Very high0 Ų024 Ų240%014%0.138CC..EExtended strand (participates in β ladder)trans-134.2121.2-178.355.1175.4000108.3L38 F81 Y85 M99 F100 K103 F110 L151L38-I112 HydrophobicContact CD2-CD1 4.21Å; L38-I112 HydrophobicContact CD2-CG1 3.96Å; F81-I112 HydrophobicContact CB-CG2 4.36Å; Y85-I112 WeakPolarHBondContact OH-CA 3.22Å; Y85-I112 WeakPolarHBondContact OH-CB 3.5Å; M99-I112 HydrophobicContact CB-CD1 4.42Å; M99-I112 HydrophobicContact CB-CG2 4.14Å; M99-I112 HydrophobicContact SD-CG2 4.45Å; F100-I112 HydrophobicContact CD1-CD1 3.79Å; F100-I112 HydrophobicContact CE1-CD1 4.01Å; K103-I112 HydrophobicContact CB-CD1 3.99Å; K103-I112 HydrophobicContact CB-CG1 4.33Å; K103-I112 HydrophobicContact CG-CD1 4.24Å; K103-I112 HydrophobicContact CG-CG1 4.31Å; F110-I112 HydrophobicContact CD1-CG2 3.97Å; F110-I112 HydrophobicContact CE1-CG2 3.6Å; I112-L151 HydrophobicContact CB-CD2 4.42Å; I112-L151 HydrophobicContact CD1-CD2 3.8Å; I112-L151 HydrophobicContact CG1-CD2 3.76Å
113L98.9Very high98.1Very high0 Ų023.9 Ų23.90%014%0.138CC..  trans-93.3169.8175.5-55.4-174.5000110.7V45 L80 F81 L82 Y85 P152 A154 C163V45-L113 HydrophobicContact CB-CD2 4.49Å; V45-L113 HydrophobicContact CG2-CD2 4.22Å; L80-L113 HydrophobicContact CD1-CD1 4.11Å; L80-L113 HydrophobicContact CD1-CD2 3.94Å; L80-L113 HydrophobicContact CD1-CG 3.74Å; F81-L113 WeakPolarHBondContact O-CB 3.47Å; F81-L113 WeakPolarHBondContact O-CG 3.48Å; F81-L113 PolarHBondContact O-N 3.29Å; L82-L113 HydrophobicContact CD2-CD1 3.83Å; Y85-L113 WeakPolarHBondContact CE2-O 3.5Å; Y85-L113 VanDerWaalsContact CZ-O 3.31Å; Y85-L113 PolarHBondContact OH-N 2.91Å; Y85-L113 VanDerWaalsContact OH-N 3.11Å; Y85-L113 PolarHBondContact OH-O 3.07Å; L113-P152 CarbonylContact C-O 3.46Å; L113-P152 VanDerWaalsContact CA-O 3.3Å; L113-P152 WeakPolarHBondContact CA-O 3.26Å; L113-P152 HydrophobicContact CD2-CB 3.95Å; L113-A154 WeakPolarHBondContact CD2-O 3.24Å; L113-C163 HydrophobicContact CD1-CB 4.36Å
114R98.9Very high98.1Very high2 Ų228.4 Ų28.41%0.00816%0.158CC..  trans-89.5125176.1-158.3175.7-174.1164.16.2110.4E118 F148 N149 L151 P152 V153 H165 L185 L197R114-E118 HydrophobicContact CG-CB 3.86Å; R114-E118 PolarHBondContact NE-O 3.27Å; R114-E118 PolarHBondContact NH2-O 2.96Å; R114-F148 PolarHBondContact NE-O 3.4Å; R114-F148 PolarHBondContact NH1-O 3.28Å; R114-N149 PolarHBondContact NH2-OD1 2.8Å; R114-L151 HydrophobicContact CB-CB 3.6Å; R114-L151 HydrophobicContact CB-CD1 4.32Å; R114-L151 HydrophobicContact CG-CB 3.89Å; R114-L151 HydrophobicContact CG-CD1 4.08Å; R114-P152 WeakPolarHBondContact CB-O 3.45Å; R114-P152 PolarHBondContact N-O 3.43Å; R114-V153 HydrophobicContact CB-CG1 4.46Å; R114-H165 WeakPolarHBondContact O-CB 3.48Å; R114-L185 PolarHBondContact NH1-O 3.07Å; R114-L197 HydrophobicContact CB-CD2 4.41Å; R114-L197 HydrophobicContact CG-CD2 4.15Å
115G98.8Very high98.1Very high0 Ų032.9 Ų32.90%019%0.185CC..  trans-91.8175.5165.200000112D84 H117 E118 H165 L197D84-G115 VanDerWaalsContact OD1-CA 3.27Å; D84-G115 WeakPolarHBondContact OD1-CA 3.22Å; G115-H117 PolarHBondContact O-N 2.97Å; G115-E118 VanDerWaalsContact CA-OE2 3.27Å; G115-E118 WeakPolarHBondContact CA-OE2 3.47Å; G115-E118 PolarHBondContact N-OE2 2.84Å; G115-E118 PolarHBondContact O-N 2.9Å; G115-H165 VanDerWaalsContact CA-CG 3.4Å; G115-L197 WeakPolarHBondContact O-CD2 3.19Å
116N98.5Very high98.1Very high5 Ų537.5 Ų37.53%0.02720%0.203CC..THydrogen-bonded Turntrans-72.8-17.8178.867.8-61.3000112.3D84 C119 H165 L197 W198 H240D84-N116 PolarHBondContact OD1-N 3.39Å; D84-N116 PolarHBondContact OD1-OD1 3.1Å; D84-N116 PolarHBondContact OD2-OD1 3.06Å; N116-C119 PolarHBondContact O-SG 2.81Å; N116-H165 PolarHBondContact N-CD2 3.33Å; N116-H165 PolarHBondContact OD1-CD2 3.03Å; N116-H165 PolarHBondContact OD1-NE2 3.42Å; N116-L197 HydrophobicContact CB-CB 4.29Å; N116-W198 HydrophobicContact CB-CD2 3.93Å; N116-W198 VanDerWaalsContact CB-CE2 3.48Å; N116-W198 HydrophobicContact CB-CG 4.36Å; N116-W198 HydrophobicContact CB-CH2 4.35Å; N116-W198 HydrophobicContact CB-CZ2 3.73Å; N116-W198 WeakPolarHBondContact ND2-CH2 3.34Å; N116-W198 WeakPolarHBondContact ND2-CZ2 3.36Å; N116-W198 WeakPolarHBondContact ND2-CZ3 3.32Å; N116-H240 VanDerWaalsContact CG-CE1 3.49Å; N116-H240 PolarHBondContact OD1-CE1 2.96Å; N116-H240 VanDerWaalsContact OD1-CE1 3.23Å; N116-H240 PolarHBondContact OD1-ND1 2.83Å
117H98.7Very high98.1Very high10 Ų1036.3 Ų36.35%0.04621%0.208CC..THydrogen-bonded Turntrans-80.6-16.6173-77.7-101.1000113.7H58 D84 V86 D87 G115 C119 I122 N123H58-H117 AromaticContact CE1-CD2 3.58Å; H58-H117 AromaticContact CE1-CG 3.74Å; H58-H117 AromaticContact CE1-ND1 4Å; H58-H117 AromaticContact CE1-NE2 3.78Å; D84-H117 WeakPolarHBondContact OD1-CB 3.41Å; D84-H117 IonicContact OD1-CD2 3.27Å; D84-H117 IonicContact OD1-CG 2.76Å; D84-H117 PolarHBondContact OD1-N 3.03Å; D84-H117 IonicContact OD2-CD2 3.32Å; D84-H117 PolarHBondContact OD2-CD2 2.81Å; D84-H117 IonicContact OD2-CG 3.27Å; V86-H117 HydrophobicContact CG2-CB 4.28Å; D87-H117 VanDerWaalsContact CB-ND1 3.34Å; D87-H117 WeakPolarHBondContact CB-ND1 3.37Å; D87-H117 IonicContact OD2-CE1 3.71Å; D87-H117 IonicContact OD2-CG 3.42Å; D87-H117 IonicContact OD2-ND1 2.78Å; D87-H117 PolarHBondContact OD2-ND1 2.89Å; G115-H117 PolarHBondContact O-N 2.97Å; H117-C119 PolarHBondContact O-N 3.2Å; H117-I122 HydrophobicContact CB-CG2 4.37Å; H117-I122 WeakPolarHBondContact ND1-CG2 3.42Å; H117-N123 VanDerWaalsContact O-CB 3.3Å; H117-N123 WeakPolarHBondContact O-CB 3.43Å; H117-N123 PolarHBondContact O-ND2 2.89Å
118E98.8Very high98.1Very high0 Ų033.9 Ų33.90%019%0.192CC..SBendtrans-80.644.7171.4-73.475.7-129.900112.4D84 Y85 V86 R114 G115 F148 L151D84-E118 WeakPolarHBondContact CA-OE1 3.44Å; D84-E118 PolarHBondContact N-OE2 3.09Å; Y85-E118 HydrophobicContact CD2-CG 3.81Å; Y85-E118 WeakPolarHBondContact CD2-OE1 3.27Å; Y85-E118 HydrophobicContact CE2-CG 4.29Å; Y85-E118 PolarHBondContact N-OE1 2.97Å; V86-E118 PolarHBondContact N-OE1 3.03Å; R114-E118 HydrophobicContact CG-CB 3.86Å; R114-E118 PolarHBondContact NE-O 3.27Å; R114-E118 PolarHBondContact NH2-O 2.96Å; G115-E118 VanDerWaalsContact CA-OE2 3.27Å; G115-E118 WeakPolarHBondContact CA-OE2 3.47Å; G115-E118 PolarHBondContact N-OE2 2.84Å; G115-E118 PolarHBondContact O-N 2.9Å; E118-F148 HydrophobicContact CB-CB 4.09Å; E118-F148 HydrophobicContact CB-CD1 4.05Å; E118-F148 HydrophobicContact CB-CD2 4.07Å; E118-F148 HydrophobicContact CB-CG 3.82Å; E118-F148 HydrophobicContact CG-CD1 3.81Å; E118-F148 HydrophobicContact CG-CD2 4.31Å; E118-F148 HydrophobicContact CG-CE1 3.85Å; E118-F148 HydrophobicContact CG-CE2 4.34Å; E118-F148 HydrophobicContact CG-CG 4.06Å; E118-F148 HydrophobicContact CG-CZ 4.12Å; E118-F148 WeakPolarHBondContact O-CB 3.41Å; E118-L151 HydrophobicContact CB-CD1 3.87Å; E118-L151 HydrophobicContact CG-CD1 3.78Å
119C97.1Very high98.2Very high18 Ų1832.3 Ų32.312%0.12218%0.175CC..SBendtrans-141.6143.2170.476.40000112.2N116 H117 I122 N123N116-C119 PolarHBondContact O-SG 2.81Å; H117-C119 PolarHBondContact O-N 3.2Å; C119-I122 PolarHBondContact O-N 3.5Å; C119-I122 VanDerWaalsContact O-N 3.16Å; C119-I122 WeakPolarHBondContact SG-CG1 3.15Å; C119-N123 VanDerWaalsContact O-CG 3.24Å; C119-N123 PolarHBondContact O-N 2.86Å; C119-N123 PolarHBondContact O-ND2 2.78Å; C119-N123 VanDerWaalsContact O-ND2 3.14Å
120M96.5Very high98.2Very high74 Ų7431.9 Ų31.937%0.36518%0.179SC..Hα-helixtrans-55-45.5-173.3-175.3-173.4-77.200113.6I122 H124 Y141 Q145M120-I122 PolarHBondContact O-N 3.22Å; M120-I122 VanDerWaalsContact O-N 3.12Å; M120-H124 WeakPolarHBondContact O-CB 3.27Å; M120-H124 PolarHBondContact O-N 2.92Å; M120-Y141 HydrophobicContact CE-CE1 4.46Å; M120-Y141 HydrophobicContact CG-CE1 4.35Å; M120-Y141 WeakPolarHBondContact CG-OH 3.19Å; M120-Q145 HydrophobicContact CB-CG 4.21Å; M120-Q145 HydrophobicContact CE-CB 4.05Å; M120-Q145 HydrophobicContact CE-CG 3.7Å; M120-Q145 HydrophobicContact CG-CG 4.41Å
121P96Very high98.2Very high96 Ų9633 Ų3362%0.62318%0.184SC*.Hα-helixtrans-59.7-28.4-178.4-25.135.8000114.1
122I97.8Very high98.2Very high27 Ų2732.4 Ų32.414%0.13818%0.181CC..Hα-helixtrans-88.4-57.4-179.9-59-57.7000109.6H117 C119 M120 H124 V125 Y126 W198H117-I122 HydrophobicContact CB-CG2 4.37Å; H117-I122 WeakPolarHBondContact ND1-CG2 3.42Å; C119-I122 PolarHBondContact O-N 3.5Å; C119-I122 VanDerWaalsContact O-N 3.16Å; C119-I122 WeakPolarHBondContact SG-CG1 3.15Å; M120-I122 PolarHBondContact O-N 3.22Å; M120-I122 VanDerWaalsContact O-N 3.12Å; I122-H124 PolarHBondContact O-N 3.1Å; I122-H124 VanDerWaalsContact O-N 3.13Å; I122-V125 PolarHBondContact O-N 3.36Å; I122-Y126 HydrophobicContact CB-CD2 4.48Å; I122-Y126 HydrophobicContact CD1-CE2 4.5Å; I122-Y126 HydrophobicContact CG2-CD2 3.59Å; I122-Y126 HydrophobicContact CG2-CE2 4.05Å; I122-Y126 VanDerWaalsContact O-CD2 3.26Å; I122-Y126 WeakPolarHBondContact O-CD2 3.46Å; I122-Y126 PolarHBondContact O-N 2.8Å; I122-Y126 VanDerWaalsContact O-N 3.11Å; I122-W198 HydrophobicContact CD1-CH2 3.75Å; I122-W198 HydrophobicContact CD1-CZ2 3.73Å; I122-W198 HydrophobicContact CG1-CH2 4.28Å; I122-W198 HydrophobicContact CG1-CZ2 3.89Å
123N98.4Very high98.1Very high0 Ų033.8 Ų33.80%019%0.191CC..Hα-helixtrans-74.6-6.6-173.471.739.9000115.1V86 D87 H117 C119 V125 F128 F129 Y141 Q145V86-N123 HydrophobicContact CG2-CB 4.12Å; D87-N123 WeakPolarHBondContact OD1-CA 3.34Å; D87-N123 WeakPolarHBondContact OD2-CA 3.37Å; D87-N123 WeakPolarHBondContact OD2-CB 3.47Å; H117-N123 VanDerWaalsContact O-CB 3.3Å; H117-N123 WeakPolarHBondContact O-CB 3.43Å; H117-N123 PolarHBondContact O-ND2 2.89Å; C119-N123 VanDerWaalsContact O-CG 3.24Å; C119-N123 PolarHBondContact O-N 2.86Å; C119-N123 PolarHBondContact O-ND2 2.78Å; C119-N123 VanDerWaalsContact O-ND2 3.14Å; N123-V125 VanDerWaalsContact C-N 3.28Å; N123-F128 HydrophobicContact CB-CB 3.9Å; N123-F128 HydrophobicContact CB-CD1 4.28Å; N123-F129 PolarHBondContact O-N 3.39Å; N123-Y141 VanDerWaalsContact OD1-CE2 3.26Å; N123-Y141 WeakPolarHBondContact OD1-CE2 3.04Å; N123-Y141 PolarHBondContact OD1-OH 3.3Å; N123-Q145 PolarHBondContact ND2-NE2 2.85Å; N123-Q145 PolarHBondContact ND2-OE1 3.34Å; N123-Q145 VanDerWaalsContact ND2-OE1 3.15Å; N123-Q145 PolarHBondContact OD1-NE2 3.29Å; N123-Q145 PolarHBondContact OD1-OE1 3.28Å
124H98Very high98.1Very high94 Ų9440.2 Ų40.244%0.43523%0.226SC..THydrogen-bonded Turntrans-68.6-29.7164.7-165.475.4000112.6M120 I122 F129 Y141M120-H124 WeakPolarHBondContact O-CB 3.27Å; M120-H124 PolarHBondContact O-N 2.92Å; I122-H124 PolarHBondContact O-N 3.1Å; I122-H124 VanDerWaalsContact O-N 3.13Å; H124-F129 AromaticContact CE1-CD1 3.67Å; H124-F129 AromaticContact CE1-CD2 3.82Å; H124-F129 AromaticContact CE1-CE1 3.68Å; H124-F129 AromaticContact CE1-CE2 3.81Å; H124-F129 AromaticContact CE1-CG 3.75Å; H124-F129 AromaticContact CE1-CZ 3.75Å; H124-F129 AromaticContact ND1-CD1 3.82Å; H124-F129 AromaticContact ND1-CD2 3.58Å; H124-F129 AromaticContact ND1-CG 3.47Å; H124-F129 WeakPolarHBondContact ND1-CG 3.27Å; H124-Y141 PolarHBondContact N-OH 3.41Å
125V97.9Very high98Very high103 Ų10344.4 Ų44.462%0.62424%0.242SC*.THydrogen-bonded Turntrans-102.9-36.9-172.8-176.30000112.1I122 N123 G127I122-V125 PolarHBondContact O-N 3.36Å; N123-V125 VanDerWaalsContact C-N 3.28Å; V125-G127 PolarHBondContact O-N 2.8Å
126Y97.9Very high97.9Very high102 Ų10246.1 Ų46.140%0.425%0.249SC..SBendtrans-93.812.2-168.1-68.6-75.5000115.9D87 R88 I122D87-Y126 WeakPolarHBondContact CB-O 3.41Å; D87-Y126 VanDerWaalsContact OD1-C 3.23Å; R88-Y126 PolarHBondContact N-O 2.74Å; I122-Y126 HydrophobicContact CB-CD2 4.48Å; I122-Y126 HydrophobicContact CD1-CE2 4.5Å; I122-Y126 HydrophobicContact CG2-CD2 3.59Å; I122-Y126 HydrophobicContact CG2-CE2 4.05Å; I122-Y126 VanDerWaalsContact O-CD2 3.26Å; I122-Y126 WeakPolarHBondContact O-CD2 3.46Å; I122-Y126 PolarHBondContact O-N 2.8Å; I122-Y126 VanDerWaalsContact O-N 3.11Å
127G97.9Very high97.9Very high31 Ų3147.1 Ų47.132%0.3226%0.256SS..SBendtrans127.8-30.1162.800000115.3D87 V125 F129 A130 E131D87-G127 PolarHBondContact OD1-N 2.89Å; V125-G127 PolarHBondContact O-N 2.8Å; G127-F129 PolarHBondContact O-N 2.85Å; G127-A130 PolarHBondContact O-N 2.83Å; G127-E131 PolarHBondContact O-N 3.08Å
128F98.7Very high97.9Very high0 Ų050.6 Ų50.60%028%0.278CS..Hα-helixtrans-65.2-40.2-172.5-172.8-129000113.2V86 D87 I96 N123 A130 E131 V132 Y141 F144 F148V86-F128 HydrophobicContact CB-CB 4.03Å; V86-F128 HydrophobicContact CB-CD1 4.2Å; V86-F128 HydrophobicContact CB-CD2 3.86Å; V86-F128 HydrophobicContact CB-CE2 4.34Å; V86-F128 HydrophobicContact CB-CG 3.77Å; V86-F128 HydrophobicContact CG1-CD1 4.16Å; V86-F128 HydrophobicContact CG1-CD2 3.8Å; V86-F128 HydrophobicContact CG1-CE1 4.13Å; V86-F128 HydrophobicContact CG1-CE2 3.75Å; V86-F128 HydrophobicContact CG1-CG 4Å; V86-F128 HydrophobicContact CG1-CZ 3.92Å; V86-F128 HydrophobicContact CG2-CB 4.2Å; V86-F128 HydrophobicContact CG2-CD1 4.19Å; V86-F128 HydrophobicContact CG2-CG 4.13Å; D87-F128 WeakPolarHBondContact OD1-CB 3.34Å; D87-F128 PolarHBondContact OD1-N 3.21Å; I96-F128 HydrophobicContact CG2-CE2 4.27Å; I96-F128 HydrophobicContact CG2-CZ 4.17Å; N123-F128 HydrophobicContact CB-CB 3.9Å; N123-F128 HydrophobicContact CB-CD1 4.28Å; F128-A130 PolarHBondContact O-N 3.13Å; F128-E131 PolarHBondContact O-N 3.47Å; F128-V132 HydrophobicContact CD2-CG2 3.81Å; F128-V132 HydrophobicContact CE1-CG2 4.16Å; F128-V132 HydrophobicContact CE2-CG2 3.4Å; F128-V132 VanDerWaalsContact CE2-CG2 3.4Å; F128-V132 HydrophobicContact CG-CG2 4.36Å; F128-V132 HydrophobicContact CZ-CG2 3.6Å; F128-V132 WeakPolarHBondContact O-CG2 3.33Å; F128-V132 PolarHBondContact O-N 3.21Å; F128-Y141 HydrophobicContact CD1-CD2 4.26Å; F128-Y141 HydrophobicContact CD1-CE2 4.12Å; F128-Y141 HydrophobicContact CE1-CD2 4.5Å; F128-F144 HydrophobicContact CE1-CB 3.79Å; F128-F144 HydrophobicContact CE1-CD1 4.47Å; F128-F144 HydrophobicContact CE1-CD2 4.13Å; F128-F144 AromaticContact CE1-CG 3.91Å; F128-F144 HydrophobicContact CE1-CG 3.91Å; F128-F144 HydrophobicContact CZ-CB 4.1Å; F128-F144 AromaticContact CZ-CD1 3.99Å; F128-F144 HydrophobicContact CZ-CD1 3.99Å; F128-F144 AromaticContact CZ-CD2 3.7Å; F128-F144 HydrophobicContact CZ-CD2 3.7Å; F128-F144 HydrophobicContact CZ-CE1 4.29Å; F128-F144 HydrophobicContact CZ-CE2 4Å; F128-F144 AromaticContact CZ-CG 3.68Å; F128-F144 HydrophobicContact CZ-CG 3.68Å; F128-F144 HydrophobicContact CZ-CZ 4.27Å; F128-F148 HydrophobicContact CD1-CE2 4.14Å; F128-F148 HydrophobicContact CD1-CZ 4.45Å; F128-F148 AromaticContact CE1-CE2 3.68Å; F128-F148 HydrophobicContact CE1-CE2 3.68Å; F128-F148 AromaticContact CE1-CZ 3.73Å; F128-F148 HydrophobicContact CE1-CZ 3.73Å; F128-F148 HydrophobicContact CZ-CZ 4.2Å
129F98.7Very high97.9Very high50 Ų5053.7 Ų53.722%0.21930%0.303CS..Hα-helixtrans-56.7-51.7174.1170-103.9000111.6N123 H124 G127 E131 V132 S133 V138 Y141N123-F129 PolarHBondContact O-N 3.39Å; H124-F129 AromaticContact CE1-CD1 3.67Å; H124-F129 AromaticContact CE1-CD2 3.82Å; H124-F129 AromaticContact CE1-CE1 3.68Å; H124-F129 AromaticContact CE1-CE2 3.81Å; H124-F129 AromaticContact CE1-CG 3.75Å; H124-F129 AromaticContact CE1-CZ 3.75Å; H124-F129 AromaticContact ND1-CD1 3.82Å; H124-F129 AromaticContact ND1-CD2 3.58Å; H124-F129 AromaticContact ND1-CG 3.47Å; H124-F129 WeakPolarHBondContact ND1-CG 3.27Å; G127-F129 PolarHBondContact O-N 2.85Å; F129-E131 VanDerWaalsContact C-N 3.31Å; F129-E131 PolarHBondContact O-N 3.25Å; F129-V132 PolarHBondContact O-N 3.46Å; F129-S133 VanDerWaalsContact O-CB 3.27Å; F129-S133 WeakPolarHBondContact O-CB 3.42Å; F129-S133 PolarHBondContact O-N 2.88Å; F129-S133 PolarHBondContact O-OG 2.9Å; F129-V138 HydrophobicContact CE2-CG1 4.32Å; F129-V138 HydrophobicContact CE2-CG2 4.29Å; F129-V138 HydrophobicContact CZ-CG2 4.43Å; F129-Y141 HydrophobicContact CB-CD2 4.06Å; F129-Y141 HydrophobicContact CB-CE2 3.65Å; F129-Y141 AromaticContact CD2-CD1 3.6Å; F129-Y141 HydrophobicContact CD2-CD1 3.6Å; F129-Y141 HydrophobicContact CD2-CD2 4.01Å; F129-Y141 AromaticContact CD2-CE1 3.68Å; F129-Y141 HydrophobicContact CD2-CE1 3.68Å; F129-Y141 HydrophobicContact CD2-CE2 4.08Å; F129-Y141 AromaticContact CD2-CG 3.75Å; F129-Y141 HydrophobicContact CD2-CG 3.75Å; F129-Y141 AromaticContact CD2-CZ 3.92Å; F129-Y141 HydrophobicContact CE2-CD1 4.16Å; F129-Y141 HydrophobicContact CE2-CE1 4.42Å; F129-Y141 HydrophobicContact CG-CE2 4.39Å
130A98.6Very high98Very high46 Ų4652.9 Ų52.938%0.3830%0.298SS..Hα-helixtrans-61.1-41.2179.100000111.5G127 F128 S133 N134G127-A130 PolarHBondContact O-N 2.83Å; F128-A130 PolarHBondContact O-N 3.13Å; A130-S133 PolarHBondContact O-OG 3.04Å; A130-N134 WeakPolarHBondContact O-CB 3.45Å; A130-N134 PolarHBondContact O-N 2.96Å; A130-N134 VanDerWaalsContact O-N 3.1Å; A130-N134 PolarHBondContact O-ND2 3.3Å
131E98.3Very high98.1Very high22 Ų2249.7 Ų49.710%0.10328%0.282CS..Hα-helixtrans-59.9-52.2177.2-167.5-170.3129.600111.4S92 T93 G127 F128 F129 R135S92-E131 WeakPolarHBondContact CB-OE2 3.48Å; S92-E131 PolarHBondContact N-OE1 3.11Å; S92-E131 PolarHBondContact N-OE2 3.12Å; S92-E131 PolarHBondContact OG-OE2 3.16Å; T93-E131 WeakPolarHBondContact CB-OE1 3.34Å; T93-E131 PolarHBondContact N-OE1 3Å; T93-E131 PolarHBondContact OG1-OE1 2.91Å; G127-E131 PolarHBondContact O-N 3.08Å; F128-E131 PolarHBondContact O-N 3.47Å; F129-E131 VanDerWaalsContact C-N 3.31Å; F129-E131 PolarHBondContact O-N 3.25Å; E131-R135 WeakPolarHBondContact O-CB 3.45Å; E131-R135 WeakPolarHBondContact O-CD 3.48Å; E131-R135 WeakPolarHBondContact O-CG 3.09Å; E131-R135 PolarHBondContact O-N 2.96Å; E131-R135 IonicContact OE1-NH1 3.35Å; E131-R135 PolarHBondContact OE1-NH1 3.13Å
132V98.6Very high98.2Very high0 Ų048 Ų480%027%0.27CS..Hα-helixtrans-71-42.9-176.7177.90000111.7F128 F129 N134 R135 F136 S137 L140 F144F128-V132 HydrophobicContact CD2-CG2 3.81Å; F128-V132 HydrophobicContact CE1-CG2 4.16Å; F128-V132 HydrophobicContact CE2-CG2 3.4Å; F128-V132 VanDerWaalsContact CE2-CG2 3.4Å; F128-V132 HydrophobicContact CG-CG2 4.36Å; F128-V132 HydrophobicContact CZ-CG2 3.6Å; F128-V132 WeakPolarHBondContact O-CG2 3.33Å; F128-V132 PolarHBondContact O-N 3.21Å; F129-V132 PolarHBondContact O-N 3.46Å; V132-N134 VanDerWaalsContact C-N 3.32Å; V132-N134 PolarHBondContact O-N 3.09Å; V132-R135 PolarHBondContact O-N 2.89Å; V132-F136 HydrophobicContact CG1-CD2 4.33Å; V132-F136 WeakPolarHBondContact O-CA 3.43Å; V132-F136 PolarHBondContact O-N 2.79Å; V132-S137 PolarHBondContact O-N 3.39Å; V132-L140 HydrophobicContact CG1-CB 4.21Å; V132-L140 HydrophobicContact CG1-CD2 4.31Å; V132-L140 HydrophobicContact CG1-CG 4.35Å; V132-F144 HydrophobicContact CG1-CD2 4.22Å; V132-F144 HydrophobicContact CG1-CE2 4.22Å; V132-F144 HydrophobicContact CG2-CD2 4.11Å; V132-F144 HydrophobicContact CG2-CE2 4Å
133S98Very high98.2Very high29 Ų2950.6 Ų50.620%0.20328%0.278CS..Hα-helixtrans-66.1-35.2-178.267.70000112.5F129 A130F129-S133 VanDerWaalsContact O-CB 3.27Å; F129-S133 WeakPolarHBondContact O-CB 3.42Å; F129-S133 PolarHBondContact O-N 2.88Å; F129-S133 PolarHBondContact O-OG 2.9Å; A130-S133 PolarHBondContact O-OG 3.04Å
134N97.7Very high98.3Very high136 Ų13650.6 Ų50.673%0.72728%0.278SS*.Hα-helixtrans-77.5-33.5179.8-68.9-18.4000112.6A130 V132A130-N134 WeakPolarHBondContact O-CB 3.45Å; A130-N134 PolarHBondContact O-N 2.96Å; A130-N134 VanDerWaalsContact O-N 3.1Å; A130-N134 PolarHBondContact O-ND2 3.3Å; V132-N134 VanDerWaalsContact C-N 3.32Å; V132-N134 PolarHBondContact O-N 3.09Å
135R97.1Very high98.3Very high90 Ų9046.4 Ų46.434%0.3426%0.259SS..Hα-helixtrans-89-28.2-177.1-67.2170.959.3177.93.6113.5E94 E131 V132E94-R135 IonicContact OE1-CZ 3.78Å; E94-R135 IonicContact OE1-NH1 2.72Å; E94-R135 PolarHBondContact OE1-NH1 2.99Å; E94-R135 IonicContact OE1-NH2 3.21Å; E94-R135 PolarHBondContact OE1-NH2 3.08Å; E94-R135 IonicContact OE2-CZ 3.25Å; E94-R135 IonicContact OE2-NH1 3.74Å; E94-R135 PolarHBondContact OE2-NH1 3.4Å; E94-R135 IonicContact OE2-NH2 2.83Å; E131-R135 WeakPolarHBondContact O-CB 3.45Å; E131-R135 WeakPolarHBondContact O-CD 3.48Å; E131-R135 WeakPolarHBondContact O-CG 3.09Å; E131-R135 PolarHBondContact O-N 2.96Å; E131-R135 IonicContact OE1-NH1 3.35Å; E131-R135 PolarHBondContact OE1-NH1 3.13Å; V132-R135 PolarHBondContact O-N 2.89Å
136F97.7Very high98.3Very high36 Ų3645 Ų4516%0.15825%0.245CC..SBendtrans-134.9-101.2-174.7-50.6-82.1000110.1F22 E24 V27 T93 V132 L140F22-F136 WeakPolarHBondContact O-CE1 3.47Å; E24-F136 HydrophobicContact CB-CD1 4.17Å; V27-F136 HydrophobicContact CG2-CE1 3.93Å; V27-F136 HydrophobicContact CG2-CZ 3.92Å; T93-F136 HydrophobicContact CG2-CE2 3.81Å; T93-F136 HydrophobicContact CG2-CZ 4.26Å; V132-F136 HydrophobicContact CG1-CD2 4.33Å; V132-F136 WeakPolarHBondContact O-CA 3.43Å; V132-F136 PolarHBondContact O-N 2.79Å; F136-L140 HydrophobicContact CB-CB 4.35Å; F136-L140 HydrophobicContact CB-CD2 3.4Å; F136-L140 HydrophobicContact CD1-CD2 3.98Å; F136-L140 HydrophobicContact CD2-CD2 3.85Å; F136-L140 HydrophobicContact CG-CD2 3.47Å; F136-L140 VanDerWaalsContact CG-CD2 3.47Å
137S98.4Very high98.4Very high26 Ų2640.1 Ų40.118%0.18223%0.226CC..  trans-155156.8-176.275.40000111.4E24 V132 A139 L140 Y141E24-S137 WeakPolarHBondContact OE1-CB 3.47Å; E24-S137 PolarHBondContact OE1-OG 3.31Å; V132-S137 PolarHBondContact O-N 3.39Å; S137-A139 PolarHBondContact O-N 3.47Å; S137-A139 PolarHBondContact OG-N 3Å; S137-L140 PolarHBondContact O-N 3.01Å; S137-L140 WeakPolarHBondContact OG-CB 3.48Å; S137-L140 PolarHBondContact OG-N 3.16Å; S137-Y141 PolarHBondContact O-N 2.95Å
138V98.6Very high98.4Very high82 Ų8238.7 Ų38.750%0.49721%0.211SC..Hα-helixtrans-62.1-33170.5176.40000111F129 L140 Y141 V142F129-V138 HydrophobicContact CE2-CG1 4.32Å; F129-V138 HydrophobicContact CE2-CG2 4.29Å; F129-V138 HydrophobicContact CZ-CG2 4.43Å; V138-L140 VanDerWaalsContact C-N 3.34Å; V138-L140 PolarHBondContact O-N 3.09Å; V138-Y141 WeakPolarHBondContact O-CB 3.34Å; V138-Y141 PolarHBondContact O-N 2.62Å; V138-V142 PolarHBondContact O-N 2.83Å; V138-V142 VanDerWaalsContact O-N 3.12Å
139A98.5Very high98.4Very high65 Ų6539.9 Ų39.954%0.53722%0.217SC..Hα-helixtrans-62.1-42.7176.300000111.3S137 Y141 V142 R143S137-A139 PolarHBondContact O-N 3.47Å; S137-A139 PolarHBondContact OG-N 3Å; A139-Y141 VanDerWaalsContact C-N 3.34Å; A139-Y141 PolarHBondContact O-N 2.78Å; A139-V142 PolarHBondContact O-N 2.65Å; A139-R143 WeakPolarHBondContact O-CG 3.45Å; A139-R143 PolarHBondContact O-N 3.03Å; A139-R143 VanDerWaalsContact O-N 3.14Å
140L98.5Very high98.4Very high2 Ų239.5 Ų39.51%0.0121%0.214CC..Hα-helixtrans-65.6-36.6176.3-168.668.4000112.3E24 V27 S28 I31 V132 F136 S137 V138 V142 R143 F144E24-L140 HydrophobicContact CG-CD1 4.39Å; E24-L140 HydrophobicContact CG-CD2 4.19Å; V27-L140 HydrophobicContact CB-CD1 4.23Å; V27-L140 HydrophobicContact CB-CD2 3.87Å; V27-L140 HydrophobicContact CG1-CD1 3.99Å; V27-L140 HydrophobicContact CG1-CD2 3.74Å; V27-L140 HydrophobicContact CG1-CG 4.12Å; V27-L140 HydrophobicContact CG2-CD2 4.4Å; S28-L140 WeakPolarHBondContact OG-CD1 3.2Å; I31-L140 HydrophobicContact CD1-CD1 3.91Å; I31-L140 HydrophobicContact CD1-CG 4.5Å; V132-L140 HydrophobicContact CG1-CB 4.21Å; V132-L140 HydrophobicContact CG1-CD2 4.31Å; V132-L140 HydrophobicContact CG1-CG 4.35Å; F136-L140 HydrophobicContact CB-CB 4.35Å; F136-L140 HydrophobicContact CB-CD2 3.4Å; F136-L140 HydrophobicContact CD1-CD2 3.98Å; F136-L140 HydrophobicContact CD2-CD2 3.85Å; F136-L140 HydrophobicContact CG-CD2 3.47Å; F136-L140 VanDerWaalsContact CG-CD2 3.47Å; S137-L140 PolarHBondContact O-N 3.01Å; S137-L140 WeakPolarHBondContact OG-CB 3.48Å; S137-L140 PolarHBondContact OG-N 3.16Å; V138-L140 VanDerWaalsContact C-N 3.34Å; V138-L140 PolarHBondContact O-N 3.09Å; L140-V142 VanDerWaalsContact C-N 3.33Å; L140-V142 PolarHBondContact O-N 3.43Å; L140-R143 WeakPolarHBondContact O-CB 3.43Å; L140-R143 PolarHBondContact O-N 2.9Å; L140-R143 VanDerWaalsContact O-N 3.16Å; L140-F144 HydrophobicContact CD2-CE2 4.43Å; L140-F144 HydrophobicContact CG-CD2 4.5Å; L140-F144 HydrophobicContact CG-CE2 4.21Å; L140-F144 WeakPolarHBondContact O-CD2 3.38Å; L140-F144 PolarHBondContact O-N 3.35Å; L140-F144 VanDerWaalsContact O-N 3.09Å
141Y98.7Very high98.4Very high6 Ų637.3 Ų37.32%0.02420%0.196CC..Hα-helixtrans-58.2-45172.5168.3-98.6000111.8M120 N123 H124 F128 F129 S137 V138 A139 R143 F144 Q145M120-Y141 HydrophobicContact CE-CE1 4.46Å; M120-Y141 HydrophobicContact CG-CE1 4.35Å; M120-Y141 WeakPolarHBondContact CG-OH 3.19Å; N123-Y141 VanDerWaalsContact OD1-CE2 3.26Å; N123-Y141 WeakPolarHBondContact OD1-CE2 3.04Å; N123-Y141 PolarHBondContact OD1-OH 3.3Å; H124-Y141 PolarHBondContact N-OH 3.41Å; F128-Y141 HydrophobicContact CD1-CD2 4.26Å; F128-Y141 HydrophobicContact CD1-CE2 4.12Å; F128-Y141 HydrophobicContact CE1-CD2 4.5Å; F129-Y141 HydrophobicContact CB-CD2 4.06Å; F129-Y141 HydrophobicContact CB-CE2 3.65Å; F129-Y141 AromaticContact CD2-CD1 3.6Å; F129-Y141 HydrophobicContact CD2-CD1 3.6Å; F129-Y141 HydrophobicContact CD2-CD2 4.01Å; F129-Y141 AromaticContact CD2-CE1 3.68Å; F129-Y141 HydrophobicContact CD2-CE1 3.68Å; F129-Y141 HydrophobicContact CD2-CE2 4.08Å; F129-Y141 AromaticContact CD2-CG 3.75Å; F129-Y141 HydrophobicContact CD2-CG 3.75Å; F129-Y141 AromaticContact CD2-CZ 3.92Å; F129-Y141 HydrophobicContact CE2-CD1 4.16Å; F129-Y141 HydrophobicContact CE2-CE1 4.42Å; F129-Y141 HydrophobicContact CG-CE2 4.39Å; S137-Y141 PolarHBondContact O-N 2.95Å; V138-Y141 WeakPolarHBondContact O-CB 3.34Å; V138-Y141 PolarHBondContact O-N 2.62Å; A139-Y141 VanDerWaalsContact C-N 3.34Å; A139-Y141 PolarHBondContact O-N 2.78Å; Y141-R143 VanDerWaalsContact C-N 3.27Å; Y141-R143 PolarHBondContact O-N 3.3Å; Y141-F144 WeakPolarHBondContact O-CB 3.16Å; Y141-F144 PolarHBondContact O-N 3.42Å; Y141-F144 VanDerWaalsContact O-N 3.13Å; Y141-Q145 HydrophobicContact CD1-CG 4.47Å; Y141-Q145 HydrophobicContact CE1-CG 4.05Å; Y141-Q145 HydrophobicContact CE2-CG 4.48Å; Y141-Q145 VanDerWaalsContact CZ-NE2 3.32Å; Y141-Q145 WeakPolarHBondContact O-CG 3.15Å; Y141-Q145 PolarHBondContact O-N 2.93Å
142V98.5Very high98.4Very high61 Ų6136.2 Ų36.237%0.3719%0.191SC..Hα-helixtrans-60-39.4176.1175.40000111.1V138 A139 L140 F144 Q145 E146V138-V142 PolarHBondContact O-N 2.83Å; V138-V142 VanDerWaalsContact O-N 3.12Å; A139-V142 PolarHBondContact O-N 2.65Å; L140-V142 VanDerWaalsContact C-N 3.33Å; L140-V142 PolarHBondContact O-N 3.43Å; V142-F144 VanDerWaalsContact C-N 3.32Å; V142-F144 PolarHBondContact O-N 2.64Å; V142-Q145 WeakPolarHBondContact O-CB 3.47Å; V142-Q145 PolarHBondContact O-N 3.11Å; V142-E146 PolarHBondContact O-N 3.19Å
143R98.6Very high98.4Very high82 Ų8236.2 Ų36.231%0.30919%0.191SC..Hα-helixtrans-61.8-36.2176-63.1-77.9-69.5156.1-4.4112.6I31 A139 L140 Y141 E146 A147I31-R143 HydrophobicContact CD1-CB 3.95Å; I31-R143 HydrophobicContact CG2-CB 4.33Å; A139-R143 WeakPolarHBondContact O-CG 3.45Å; A139-R143 PolarHBondContact O-N 3.03Å; A139-R143 VanDerWaalsContact O-N 3.14Å; L140-R143 WeakPolarHBondContact O-CB 3.43Å; L140-R143 PolarHBondContact O-N 2.9Å; L140-R143 VanDerWaalsContact O-N 3.16Å; Y141-R143 VanDerWaalsContact C-N 3.27Å; Y141-R143 PolarHBondContact O-N 3.3Å; R143-E146 WeakPolarHBondContact CD-OE2 3.36Å; R143-E146 IonicContact CZ-OE2 3.72Å; R143-E146 IonicContact NE-OE2 3.94Å; R143-E146 IonicContact NH1-OE2 2.8Å; R143-E146 PolarHBondContact NH1-OE2 3.1Å; R143-E146 WeakPolarHBondContact O-CB 3.16Å; R143-E146 PolarHBondContact O-N 3.05Å; R143-A147 PolarHBondContact O-N 3Å
144F98.8Very high98.5Very high0 Ų034.9 Ų34.90%018%0.182CC..Hα-helixtrans-63.7-41.5171.3-80.7-69.2000112V27 I31 T93 I96 F100 F128 V132 L140 Y141 V142 E146 A147 F148V27-F144 HydrophobicContact CG1-CE1 4.23Å; V27-F144 HydrophobicContact CG1-CE2 3.68Å; V27-F144 HydrophobicContact CG1-CZ 3.31Å; I31-F144 HydrophobicContact CD1-CD1 3.76Å; I31-F144 HydrophobicContact CD1-CD2 3.93Å; I31-F144 HydrophobicContact CD1-CE1 3.78Å; I31-F144 HydrophobicContact CD1-CE2 3.97Å; I31-F144 HydrophobicContact CD1-CG 3.84Å; I31-F144 HydrophobicContact CD1-CZ 3.91Å; I31-F144 HydrophobicContact CG1-CD1 3.93Å; I31-F144 HydrophobicContact CG1-CE1 3.8Å; I31-F144 HydrophobicContact CG1-CG 4.49Å; I31-F144 HydrophobicContact CG1-CZ 4.29Å; T93-F144 HydrophobicContact CG2-CZ 4.24Å; I96-F144 HydrophobicContact CG1-CE1 4.47Å; I96-F144 HydrophobicContact CG2-CD1 4.26Å; I96-F144 HydrophobicContact CG2-CE1 3.63Å; I96-F144 HydrophobicContact CG2-CZ 4.13Å; F100-F144 HydrophobicContact CD2-CE1 4.46Å; F100-F144 AromaticContact CE2-CD1 3.97Å; F100-F144 HydrophobicContact CE2-CD1 3.97Å; F100-F144 HydrophobicContact CE2-CE1 4.1Å; F128-F144 HydrophobicContact CE1-CB 3.79Å; F128-F144 HydrophobicContact CE1-CD1 4.47Å; F128-F144 HydrophobicContact CE1-CD2 4.13Å; F128-F144 AromaticContact CE1-CG 3.91Å; F128-F144 HydrophobicContact CE1-CG 3.91Å; F128-F144 HydrophobicContact CZ-CB 4.1Å; F128-F144 AromaticContact CZ-CD1 3.99Å; F128-F144 HydrophobicContact CZ-CD1 3.99Å; F128-F144 AromaticContact CZ-CD2 3.7Å; F128-F144 HydrophobicContact CZ-CD2 3.7Å; F128-F144 HydrophobicContact CZ-CE1 4.29Å; F128-F144 HydrophobicContact CZ-CE2 4Å; F128-F144 AromaticContact CZ-CG 3.68Å; F128-F144 HydrophobicContact CZ-CG 3.68Å; F128-F144 HydrophobicContact CZ-CZ 4.27Å; V132-F144 HydrophobicContact CG1-CD2 4.22Å; V132-F144 HydrophobicContact CG1-CE2 4.22Å; V132-F144 HydrophobicContact CG2-CD2 4.11Å; V132-F144 HydrophobicContact CG2-CE2 4Å; L140-F144 HydrophobicContact CD2-CE2 4.43Å; L140-F144 HydrophobicContact CG-CD2 4.5Å; L140-F144 HydrophobicContact CG-CE2 4.21Å; L140-F144 WeakPolarHBondContact O-CD2 3.38Å; L140-F144 PolarHBondContact O-N 3.35Å; L140-F144 VanDerWaalsContact O-N 3.09Å; Y141-F144 WeakPolarHBondContact O-CB 3.16Å; Y141-F144 PolarHBondContact O-N 3.42Å; Y141-F144 VanDerWaalsContact O-N 3.13Å; V142-F144 VanDerWaalsContact C-N 3.32Å; V142-F144 PolarHBondContact O-N 2.64Å; F144-E146 VanDerWaalsContact C-N 3.3Å; F144-E146 PolarHBondContact O-N 3.12Å; F144-A147 PolarHBondContact O-N 3.09Å; F144-A147 VanDerWaalsContact O-N 3.11Å; F144-F148 HydrophobicContact CB-CE2 4.24Å; F144-F148 HydrophobicContact CB-CZ 4.26Å; F144-F148 HydrophobicContact CD1-CZ 4.46Å; F144-F148 VanDerWaalsContact O-CG 3.26Å; F144-F148 WeakPolarHBondContact O-CG 3.47Å; F144-F148 PolarHBondContact O-N 3.17Å
145Q98.7Very high98.5Very high6 Ų628.4 Ų28.43%0.02815%0.147CC..Hα-helixtrans-63.1-38.3177.6-52.8-50.6-47.700111.8M120 N123 Y141 V142 A147 F148 N149M120-Q145 HydrophobicContact CB-CG 4.21Å; M120-Q145 HydrophobicContact CE-CB 4.05Å; M120-Q145 HydrophobicContact CE-CG 3.7Å; M120-Q145 HydrophobicContact CG-CG 4.41Å; N123-Q145 PolarHBondContact ND2-NE2 2.85Å; N123-Q145 PolarHBondContact ND2-OE1 3.34Å; N123-Q145 VanDerWaalsContact ND2-OE1 3.15Å; N123-Q145 PolarHBondContact OD1-NE2 3.29Å; N123-Q145 PolarHBondContact OD1-OE1 3.28Å; Y141-Q145 HydrophobicContact CD1-CG 4.47Å; Y141-Q145 HydrophobicContact CE1-CG 4.05Å; Y141-Q145 HydrophobicContact CE2-CG 4.48Å; Y141-Q145 VanDerWaalsContact CZ-NE2 3.32Å; Y141-Q145 WeakPolarHBondContact O-CG 3.15Å; Y141-Q145 PolarHBondContact O-N 2.93Å; V142-Q145 WeakPolarHBondContact O-CB 3.47Å; V142-Q145 PolarHBondContact O-N 3.11Å; Q145-A147 VanDerWaalsContact C-N 3.32Å; Q145-A147 PolarHBondContact O-N 3.3Å; Q145-F148 PolarHBondContact O-N 3.3Å; Q145-N149 VanDerWaalsContact O-CG 3.22Å; Q145-N149 PolarHBondContact O-N 2.75Å; Q145-N149 VanDerWaalsContact O-N 3.12Å; Q145-N149 PolarHBondContact O-ND2 3.39Å
146E98.4Very high98.6Very high73 Ų7324.3 Ų24.334%0.34113%0.132SC..Hα-helixtrans-57.8-44.8172.1-67.3173.617500111.5M35 V142 R143 F144 N149M35-E146 HydrophobicContact CE-CB 4.16Å; V142-E146 PolarHBondContact O-N 3.19Å; R143-E146 WeakPolarHBondContact CD-OE2 3.36Å; R143-E146 IonicContact CZ-OE2 3.72Å; R143-E146 IonicContact NE-OE2 3.94Å; R143-E146 IonicContact NH1-OE2 2.8Å; R143-E146 PolarHBondContact NH1-OE2 3.1Å; R143-E146 WeakPolarHBondContact O-CB 3.16Å; R143-E146 PolarHBondContact O-N 3.05Å; F144-E146 VanDerWaalsContact C-N 3.3Å; F144-E146 PolarHBondContact O-N 3.12Å; E146-N149 PolarHBondContact O-N 3.34Å
147A98.7Very high98.7Very high0 Ų022.6 Ų22.60%013%0.125CC..Hα-helixtrans-67.3-39.9177.100000113.1I31 M35 F100 R143 F144 Q145 N149 W150I31-A147 HydrophobicContact CG2-CB 4.04Å; M35-A147 HydrophobicContact CG-CB 3.72Å; M35-A147 HydrophobicContact SD-CB 4.3Å; F100-A147 HydrophobicContact CE2-CB 3.86Å; F100-A147 HydrophobicContact CZ-CB 3.76Å; R143-A147 PolarHBondContact O-N 3Å; F144-A147 PolarHBondContact O-N 3.09Å; F144-A147 VanDerWaalsContact O-N 3.11Å; Q145-A147 VanDerWaalsContact C-N 3.32Å; Q145-A147 PolarHBondContact O-N 3.3Å; A147-N149 PolarHBondContact O-N 3.27Å; A147-W150 WeakPolarHBondContact O-CB 3.28Å; A147-W150 PolarHBondContact O-N 2.9Å
148F98.8Very high98.6Very high0 Ų023.4 Ų23.40%013%0.13CC..Hα-helixtrans-61.4-32.4176.7-64.7-22.1000112.9V86 I96 F100 R114 E118 F128 F144 Q145 W150 L151V86-F148 HydrophobicContact CG1-CZ 3.97Å; I96-F148 HydrophobicContact CD1-CE1 3.74Å; I96-F148 HydrophobicContact CD1-CZ 4.46Å; I96-F148 HydrophobicContact CG1-CE1 3.73Å; I96-F148 HydrophobicContact CG1-CZ 4.15Å; F100-F148 HydrophobicContact CZ-CD1 4.17Å; F100-F148 AromaticContact CZ-CE1 3.97Å; F100-F148 HydrophobicContact CZ-CE1 3.97Å; R114-F148 PolarHBondContact NE-O 3.4Å; R114-F148 PolarHBondContact NH1-O 3.28Å; E118-F148 HydrophobicContact CB-CB 4.09Å; E118-F148 HydrophobicContact CB-CD1 4.05Å; E118-F148 HydrophobicContact CB-CD2 4.07Å; E118-F148 HydrophobicContact CB-CG 3.82Å; E118-F148 HydrophobicContact CG-CD1 3.81Å; E118-F148 HydrophobicContact CG-CD2 4.31Å; E118-F148 HydrophobicContact CG-CE1 3.85Å; E118-F148 HydrophobicContact CG-CE2 4.34Å; E118-F148 HydrophobicContact CG-CG 4.06Å; E118-F148 HydrophobicContact CG-CZ 4.12Å; E118-F148 WeakPolarHBondContact O-CB 3.41Å; F128-F148 HydrophobicContact CD1-CE2 4.14Å; F128-F148 HydrophobicContact CD1-CZ 4.45Å; F128-F148 AromaticContact CE1-CE2 3.68Å; F128-F148 HydrophobicContact CE1-CE2 3.68Å; F128-F148 AromaticContact CE1-CZ 3.73Å; F128-F148 HydrophobicContact CE1-CZ 3.73Å; F128-F148 HydrophobicContact CZ-CZ 4.2Å; F144-F148 HydrophobicContact CB-CE2 4.24Å; F144-F148 HydrophobicContact CB-CZ 4.26Å; F144-F148 HydrophobicContact CD1-CZ 4.46Å; F144-F148 VanDerWaalsContact O-CG 3.26Å; F144-F148 WeakPolarHBondContact O-CG 3.47Å; F144-F148 PolarHBondContact O-N 3.17Å; Q145-F148 PolarHBondContact O-N 3.3Å; F148-W150 PolarHBondContact O-N 2.8Å; F148-W150 VanDerWaalsContact O-N 3.14Å; F148-L151 HydrophobicContact CB-CD1 4.33Å; F148-L151 HydrophobicContact CD1-CD1 3.8Å; F148-L151 HydrophobicContact CG-CD1 4.43Å; F148-L151 WeakPolarHBondContact O-CB 3.15Å; F148-L151 PolarHBondContact O-N 2.99Å
149N98.6Very high98.6Very high26 Ų2623.1 Ų23.114%0.13913%0.132CC..THydrogen-bonded Turntrans-66.5-10.9174.8-66.5-21.8000114R114 Q145 E146 A147 P184 L185R114-N149 PolarHBondContact NH2-OD1 2.8Å; Q145-N149 VanDerWaalsContact O-CG 3.22Å; Q145-N149 PolarHBondContact O-N 2.75Å; Q145-N149 VanDerWaalsContact O-N 3.12Å; Q145-N149 PolarHBondContact O-ND2 3.39Å; E146-N149 PolarHBondContact O-N 3.34Å; A147-N149 PolarHBondContact O-N 3.27Å; N149-P184 HydrophobicContact CB-CB 3.81Å; N149-P184 VanDerWaalsContact O-CA 3.32Å; N149-P184 WeakPolarHBondContact O-CA 3.35Å; N149-L185 WeakPolarHBondContact CA-O 3.35Å; N149-L185 WeakPolarHBondContact CB-O 3.42Å; N149-L185 PolarHBondContact O-N 3.26Å; N149-L185 VanDerWaalsContact O-N 3.08Å; N149-L185 PolarHBondContact OD1-O 3.45Å; N149-L185 VanDerWaalsContact OD1-O 3.1Å
150W98.6Very high98.6Very high41 Ų4123.8 Ų23.816%0.15512%0.121CC..THydrogen-bonded Turntrans-95.9-9.2172-69.3101.8000114L38 M39 A147 F148 R183 P184L38-W150 HydrophobicContact CB-CB 3.86Å; L38-W150 HydrophobicContact CD1-CB 4.3Å; M39-W150 HydrophobicContact CB-CE3 4.37Å; M39-W150 HydrophobicContact CB-CZ3 4.33Å; M39-W150 HydrophobicContact CE-CH2 4.48Å; M39-W150 HydrophobicContact CE-CZ2 3.78Å; M39-W150 HydrophobicContact CG-CD2 3.82Å; M39-W150 HydrophobicContact CG-CE3 3.68Å; M39-W150 HydrophobicContact CG-CH2 3.79Å; M39-W150 HydrophobicContact CG-CZ2 3.91Å; M39-W150 HydrophobicContact CG-CZ3 3.67Å; M39-W150 HydrophobicContact SD-CZ2 4.45Å; A147-W150 WeakPolarHBondContact O-CB 3.28Å; A147-W150 PolarHBondContact O-N 2.9Å; F148-W150 PolarHBondContact O-N 2.8Å; F148-W150 VanDerWaalsContact O-N 3.14Å; W150-R183 HydrophobicContact CE3-CB 3.69Å; W150-R183 WeakPolarHBondContact CH2-O 3.35Å; W150-R183 HydrophobicContact CZ3-CB 3.76Å; W150-R183 WeakPolarHBondContact CZ3-O 3.03Å; W150-R183 WeakPolarHBondContact O-CD 3.46Å; W150-R183 PolarHBondContact O-NH1 3.34Å; W150-P184 HydrophobicContact CD2-CB 4Å; W150-P184 HydrophobicContact CG-CB 4.36Å; W150-P184 HydrophobicContact CH2-CB 4.48Å; W150-P184 VanDerWaalsContact CH2-CD 3.45Å; W150-P184 HydrophobicContact CH2-CG 4.23Å; W150-P184 HydrophobicContact CZ2-CB 3.92Å; W150-P184 VanDerWaalsContact CZ2-CD 3.4Å; W150-P184 HydrophobicContact CZ2-CG 3.66Å
151L98.8Very high98.6Very high0 Ų024.2 Ų24.20%012%0.123CC..  trans-65.9132-178-71.8169000111.2L38 Y85 I112 R114 E118 F148L38-L151 HydrophobicContact CD1-CD2 3.88Å; L38-L151 HydrophobicContact CD1-CG 4.4Å; L38-L151 HydrophobicContact CD2-CD2 3.95Å; Y85-L151 HydrophobicContact CE2-CD1 4.39Å; I112-L151 HydrophobicContact CB-CD2 4.42Å; I112-L151 HydrophobicContact CD1-CD2 3.8Å; I112-L151 HydrophobicContact CG1-CD2 3.76Å; R114-L151 HydrophobicContact CB-CB 3.6Å; R114-L151 HydrophobicContact CB-CD1 4.32Å; R114-L151 HydrophobicContact CG-CB 3.89Å; R114-L151 HydrophobicContact CG-CD1 4.08Å; E118-L151 HydrophobicContact CB-CD1 3.87Å; E118-L151 HydrophobicContact CG-CD1 3.78Å; F148-L151 HydrophobicContact CB-CD1 4.33Å; F148-L151 HydrophobicContact CD1-CD1 3.8Å; F148-L151 HydrophobicContact CG-CD1 4.43Å; F148-L151 WeakPolarHBondContact O-CB 3.15Å; F148-L151 PolarHBondContact O-N 2.99Å
152P98.7Very high98.6Very high0 Ų024 Ų240%012%0.122CC..  trans-59.7152.3168-22.734000112.1D41 S42 V45 L113 R114D41-P152 HydrophobicContact CB-CG 3.92Å; S42-P152 WeakPolarHBondContact O-CB 3.35Å; S42-P152 WeakPolarHBondContact O-CG 3.13Å; V45-P152 HydrophobicContact CG2-CB 3.6Å; V45-P152 HydrophobicContact CG2-CG 3.54Å; L113-P152 CarbonylContact C-O 3.46Å; L113-P152 VanDerWaalsContact CA-O 3.3Å; L113-P152 WeakPolarHBondContact CA-O 3.26Å; L113-P152 HydrophobicContact CD2-CB 3.95Å; R114-P152 WeakPolarHBondContact CB-O 3.45Å; R114-P152 PolarHBondContact N-O 3.43Å
153V98.8Very high98.6Very high0 Ų021 Ų210%010%0.104CC..SBendtrans-101.5-17-177.4-66.60000113.3M43 R114 I178 I187 L193 L196 L197M43-V153 HydrophobicContact CE-CB 4.3Å; M43-V153 HydrophobicContact CE-CG1 3.55Å; M43-V153 HydrophobicContact CE-CG2 3.81Å; M43-V153 PolarHBondContact O-N 2.97Å; M43-V153 VanDerWaalsContact O-N 3.12Å; M43-V153 HydrophobicContact SD-CG1 4.18Å; M43-V153 HydrophobicContact SD-CG2 4.22Å; R114-V153 HydrophobicContact CB-CG1 4.46Å; V153-I178 HydrophobicContact CG2-CG2 3.79Å; V153-I187 HydrophobicContact CG1-CD1 4.13Å; V153-L193 HydrophobicContact CG1-CD2 4.46Å; V153-L193 HydrophobicContact CG2-CD2 3.97Å; V153-L196 HydrophobicContact CB-CD1 4.27Å; V153-L196 HydrophobicContact CG2-CD1 3.74Å; V153-L197 HydrophobicContact CB-CD1 3.99Å; V153-L197 HydrophobicContact CG1-CD1 3.91Å
154A98.9Very high98.6Very high0 Ų017.1 Ų17.10%09%0.089CC..EExtended strand (participates in β ladder)trans-146157.1-179.800000111.6M43 L44 V45 L113 L162 C163 I178M43-A154 PolarHBondContact O-N 3.37Å; L44-A154 CarbonylContact C-O 3.08Å; L44-A154 WeakPolarHBondContact CA-O 3.39Å; L44-A154 HydrophobicContact CD1-CB 3.64Å; V45-A154 PolarHBondContact N-O 2.79Å; L113-A154 WeakPolarHBondContact CD2-O 3.24Å; A154-L162 HydrophobicContact CB-CD1 4.37Å; A154-C163 CarbonylContact C-O 3.51Å; A154-C163 WeakPolarHBondContact CA-O 3.19Å; A154-I178 HydrophobicContact CB-CD1 4.06Å; A154-I178 HydrophobicContact CB-CG2 4.44Å
155G98.8Very high98.6Very high0 Ų017.1 Ų17.10%09%0.089CC..EExtended strand (participates in β ladder)trans-125.7152.7168.700000111V45 C163V45-G155 CarbonylContact O-C 3.58Å; V45-G155 WeakPolarHBondContact O-CA 3.42Å; G155-C163 PolarHBondContact N-O 3.39Å; G155-C163 PolarHBondContact O-N 3.07Å
156L98.7Very high98.6Very high5 Ų516.9 Ų16.93%0.0269%0.088CC..EExtended strand (participates in β ladder)trans-128.8105.9173.6-174.366.3000108.2L44 V45 E46 T47 I161 W175 I233L44-L156 HydrophobicContact CD1-CB 4.16Å; L44-L156 HydrophobicContact CG-CB 4.41Å; V45-L156 PolarHBondContact O-N 2.77Å; E46-L156 HydrophobicContact CG-CB 4.33Å; T47-L156 PolarHBondContact N-O 3.04Å; T47-L156 VanDerWaalsContact N-O 3.08Å; L156-I161 WeakPolarHBondContact CA-O 3.31Å; L156-W175 HydrophobicContact CD1-CH2 4.48Å; L156-W175 HydrophobicContact CD1-CZ2 4.28Å; L156-I233 HydrophobicContact CD1-CG2 4.26Å
157V98.6Very high98.6Very high0 Ų013.4 Ų13.40%07%0.072CC..EExtended strand (participates in β ladder)trans-92.1125.1-178-179.70000109.4T47 I51 I53 L80 S159 R160 I161 V277T47-V157 HydrophobicContact CG2-CG2 3.87Å; T47-V157 CarbonylContact O-C 3.49Å; T47-V157 WeakPolarHBondContact O-CA 3.42Å; I51-V157 HydrophobicContact CG2-CG1 3.67Å; I51-V157 HydrophobicContact CG2-CG2 4.28Å; I53-V157 HydrophobicContact CD1-CG2 4.29Å; L80-V157 HydrophobicContact CD2-CG2 3.98Å; V157-S159 PolarHBondContact O-N 3.02Å; V157-R160 PolarHBondContact O-N 3.26Å; V157-I161 HydrophobicContact CB-CB 4.23Å; V157-I161 PolarHBondContact N-O 3.43Å; V157-I161 PolarHBondContact O-N 3.15Å; V157-V277 HydrophobicContact CG1-CG1 4.48Å
158S97.8Very high98.6Very high43 Ų4313.4 Ų13.430%0.3017%0.072SC..THydrogen-bonded Turntrans51.127.4-179.4-58.70000113.3T47 A49 R160T47-S158 PolarHBondContact O-N 2.85Å; A49-S158 PolarHBondContact N-OG 3.26Å; A49-S158 VanDerWaalsContact N-OG 3.08Å; S158-R160 WeakPolarHBondContact O-CG 3.44Å; S158-R160 PolarHBondContact O-N 3.12Å
159S97.5Very high98.6Very high76 Ų7613.5 Ų13.553%0.5317%0.072SC..THydrogen-bonded Turntrans57.414.4-173.9-53.80000115.4V157V157-S159 PolarHBondContact O-N 3.02Å
160R98Very high98.6Very high79 Ų7914.8 Ų14.830%0.2988%0.082SC..THydrogen-bonded Turntrans-127.1-17.6-174.4-62-55.6-71.4-177.5-3.6114.3V157 S158 D232 I233 D234 L235V157-R160 PolarHBondContact O-N 3.26Å; S158-R160 WeakPolarHBondContact O-CG 3.44Å; S158-R160 PolarHBondContact O-N 3.12Å; R160-D232 IonicContact CZ-OD1 3.36Å; R160-D232 PolarHBondContact NH1-O 3.05Å; R160-D232 IonicContact NH1-OD1 3.81Å; R160-D232 PolarHBondContact NH1-OD1 3.39Å; R160-D232 IonicContact NH1-OD2 3.69Å; R160-D232 PolarHBondContact NH1-OD2 3.09Å; R160-D232 IonicContact NH2-OD1 3.5Å; R160-I233 WeakPolarHBondContact O-CB 3.46Å; R160-D234 IonicContact CZ-OD1 3.31Å; R160-D234 IonicContact CZ-OD2 2.83Å; R160-D234 IonicContact NE-OD1 3.43Å; R160-D234 IonicContact NE-OD2 3.99Å; R160-D234 PolarHBondContact NE-OD2 3.16Å; R160-D234 VanDerWaalsContact NH2-CG 3.31Å; R160-D234 IonicContact NH2-OD1 3.27Å; R160-D234 PolarHBondContact NH2-OD1 3.01Å; R160-D234 IonicContact NH2-OD2 2.95Å; R160-D234 PolarHBondContact NH2-OD2 3.46Å; R160-D234 PolarHBondContact O-N 3.42Å; R160-L235 PolarHBondContact O-N 3.11Å
161I98.7Very high98.5Very high11 Ų1117.3 Ų17.36%0.05610%0.096CC..EExtended strand (participates in β ladder)trans-124.2108.8-177.9-49.9177.5000109.4L156 V157 L235 A237 V277 V283L156-I161 WeakPolarHBondContact CA-O 3.31Å; V157-I161 HydrophobicContact CB-CB 4.23Å; V157-I161 PolarHBondContact N-O 3.43Å; V157-I161 PolarHBondContact O-N 3.15Å; I161-L235 CarbonylContact C-O 3.59Å; I161-L235 VanDerWaalsContact CA-O 3.28Å; I161-L235 WeakPolarHBondContact CA-O 3.41Å; I161-L235 HydrophobicContact CD1-CD2 4.39Å; I161-L235 HydrophobicContact CG1-CB 4.21Å; I161-L235 HydrophobicContact CG2-CB 4.07Å; I161-L235 HydrophobicContact CG2-CD2 4.12Å; I161-L235 HydrophobicContact CG2-CG 4.13Å; I161-A237 HydrophobicContact CG2-CB 4.11Å; I161-V277 HydrophobicContact CD1-CB 4.38Å; I161-V277 HydrophobicContact CD1-CG1 3.74Å; I161-V277 HydrophobicContact CD1-CG2 3.66Å; I161-V283 HydrophobicContact CD1-CG2 4.28Å
162L98.8Very high98.5Very high0 Ų017.8 Ų17.80%010%0.098CC..EExtended strand (participates in β ladder)trans-76.2130171.5176.462.2000109A154 M164 L168 W175 F227 I233 L235 I236 A237A154-L162 HydrophobicContact CB-CD1 4.37Å; L162-M164 HydrophobicContact CD2-CE 3.9Å; L162-M164 HydrophobicContact CD2-SD 3.87Å; L162-M164 HydrophobicContact CG-CE 4.39Å; L162-M164 HydrophobicContact CG-SD 3.99Å; L162-L168 HydrophobicContact CD2-CD2 4.25Å; L162-W175 HydrophobicContact CB-CH2 4.27Å; L162-W175 HydrophobicContact CD1-CH2 4.07Å; L162-W175 HydrophobicContact CD1-CZ3 3.68Å; L162-W175 HydrophobicContact CD2-CH2 4.04Å; L162-W175 HydrophobicContact CD2-CZ3 3.99Å; L162-W175 HydrophobicContact CG-CH2 4.36Å; L162-W175 HydrophobicContact CG-CZ3 4.33Å; L162-F227 HydrophobicContact CD2-CE1 3.6Å; L162-F227 HydrophobicContact CD2-CZ 3.89Å; L162-I233 HydrophobicContact CB-CD1 3.62Å; L162-I233 HydrophobicContact CD2-CD1 4.41Å; L162-L235 PolarHBondContact N-O 3.41Å; L162-I236 HydrophobicContact CB-CG1 4.47Å; L162-I236 CarbonylContact O-C 3.59Å; L162-I236 VanDerWaalsContact O-CA 3.32Å; L162-I236 WeakPolarHBondContact O-CA 3.46Å; L162-A237 PolarHBondContact O-N 3.12Å
163C98.9Very high98.4Very high0 Ų025.4 Ų25.40%013%0.132CC..EExtended strand (participates in β ladder)trans-120.5130.6-179.7-60.10000109.3L80 L82 L113 A154 G155 A237L80-C163 HydrophobicContact CD2-CB 3.56Å; L82-C163 HydrophobicContact CD2-CB 3.76Å; L113-C163 HydrophobicContact CD1-CB 4.36Å; A154-C163 CarbonylContact C-O 3.51Å; A154-C163 WeakPolarHBondContact CA-O 3.19Å; G155-C163 PolarHBondContact N-O 3.39Å; G155-C163 PolarHBondContact O-N 3.07Å; C163-A237 VanDerWaalsContact CA-O 3.26Å; C163-A237 WeakPolarHBondContact CA-O 3.49Å
164M98.9Very high98.4Very high0 Ų028.7 Ų28.70%015%0.149CC..EExtended strand (participates in β ladder)trans-153.9170.5175.365.4-121.9-64.300110.1L162 G167 L168 L196 I236 A237 R238L162-M164 HydrophobicContact CD2-CE 3.9Å; L162-M164 HydrophobicContact CD2-SD 3.87Å; L162-M164 HydrophobicContact CG-CE 4.39Å; L162-M164 HydrophobicContact CG-SD 3.99Å; M164-G167 WeakPolarHBondContact CE-O 3.1Å; M164-L168 HydrophobicContact CE-CD2 4.4Å; M164-L196 HydrophobicContact CE-CD2 3.1Å; M164-L196 HydrophobicContact CE-CG 4.42Å; M164-I236 HydrophobicContact SD-CG2 3.91Å; M164-A237 PolarHBondContact N-O 2.97Å; M164-A237 VanDerWaalsContact N-O 3.14Å; M164-R238 HydrophobicContact CG-CB 4.37Å; M164-R238 VanDerWaalsContact O-CA 3.29Å; M164-R238 WeakPolarHBondContact O-CA 3.34Å
165H98.9Very high98.3Very high0 Ų030.6 Ų30.60%016%0.156CC..SBendtrans-75.7-63.2176-174.365.8000111.7D56 L82 D84 R114 G115 N116 L197 R238 A239 H240D56-H165 IonicContact OD1-CE1 2.65Å; D56-H165 PolarHBondContact OD1-CE1 3.28Å; D56-H165 VanDerWaalsContact OD1-CE1 3.25Å; D56-H165 IonicContact OD1-ND1 3.21Å; D56-H165 IonicContact OD2-CE1 3.75Å; L82-H165 WeakPolarHBondContact O-CA 3.16Å; L82-H165 WeakPolarHBondContact O-CB 3.3Å; L82-H165 PolarHBondContact O-ND1 2.88Å; D84-H165 VanDerWaalsContact CG-NE2 3.33Å; D84-H165 IonicContact OD1-CE1 2.77Å; D84-H165 PolarHBondContact OD1-CE1 3.4Å; D84-H165 IonicContact OD1-NE2 2.69Å; D84-H165 PolarHBondContact OD1-NE2 3Å; D84-H165 IonicContact OD2-CE1 2.79Å; D84-H165 PolarHBondContact OD2-CE1 3.14Å; D84-H165 IonicContact OD2-NE2 3.67Å; D84-H165 PolarHBondContact OD2-NE2 3.03Å; R114-H165 WeakPolarHBondContact O-CB 3.48Å; G115-H165 VanDerWaalsContact CA-CG 3.4Å; N116-H165 PolarHBondContact N-CD2 3.33Å; N116-H165 PolarHBondContact OD1-CD2 3.03Å; N116-H165 PolarHBondContact OD1-NE2 3.42Å; H165-L197 PolarHBondContact CD2-O 3.49Å; H165-R238 PolarHBondContact O-NE 3.3Å; H165-A239 CarbonylContact O-C 3.39Å; H165-A239 PolarHBondContact O-N 3.36Å; H165-H240 AromaticContact CD2-CG 3.93Å; H165-H240 AromaticContact CD2-ND1 3.61Å; H165-H240 WeakPolarHBondContact NE2-CB 3.46Å; H165-H240 AromaticContact NE2-CG 3.55Å; H165-H240 AromaticContact NE2-ND1 3.06Å; H165-H240 PolarHBondContact NE2-ND1 2.88Å; H165-H240 WeakPolarHBondContact O-CB 3.2Å
166G98.8Very high98.3Very high0 Ų035.1 Ų35.10%018%0.18CC..SBendtrans-80.5-108.6-178.900000110.8L196 A199 R238G166-L196 VanDerWaalsContact CA-O 3.23Å; G166-L196 WeakPolarHBondContact CA-O 3.27Å; G166-L196 PolarHBondContact N-O 2.87Å; G166-A199 CarbonylContact C-O 3.45Å; G166-R238 VanDerWaalsContact CA-NH2 3.31Å; G166-R238 VanDerWaalsContact O-CB 3.32Å; G166-R238 WeakPolarHBondContact O-CB 3.37Å; G166-R238 PolarHBondContact O-NE 3.26Å; G166-R238 PolarHBondContact O-NH2 2.97Å
167G98.6Very high98.3Very high0 Ų037.4 Ų37.40%019%0.191CC..  trans-161.9-159.7-172.700000113.7M164 D195 L196 A199M164-G167 WeakPolarHBondContact CE-O 3.1Å; G167-D195 PolarHBondContact N-O 3.31Å; G167-L196 PolarHBondContact N-O 2.94Å; G167-L196 WeakPolarHBondContact O-CA 3.48Å; G167-A199 WeakPolarHBondContact CA-O 3.12Å; G167-A199 PolarHBondContact N-O 2.93Å; G167-A199 VanDerWaalsContact N-O 3.08Å
168L98.6Very high98.3Very high0 Ų037.4 Ų37.40%019%0.191CC..  trans-69.6155-176.5-62.6179.1000111.2L162 M164 A199 W208 F219 V223 V224 F227 I236L162-L168 HydrophobicContact CD2-CD2 4.25Å; M164-L168 HydrophobicContact CE-CD2 4.4Å; L168-A199 VanDerWaalsContact O-CB 3.28Å; L168-A199 WeakPolarHBondContact O-CB 3.14Å; L168-W208 HydrophobicContact CB-CH2 3.55Å; L168-W208 HydrophobicContact CB-CZ2 4.47Å; L168-W208 HydrophobicContact CB-CZ3 4.25Å; L168-W208 WeakPolarHBondContact O-CZ3 3.21Å; L168-F219 HydrophobicContact CB-CD1 4.33Å; L168-F219 HydrophobicContact CB-CE1 4.27Å; L168-F219 HydrophobicContact CB-CZ 4.38Å; L168-F219 HydrophobicContact CD1-CD2 4.32Å; L168-F219 HydrophobicContact CD1-CE2 4.27Å; L168-F219 HydrophobicContact CG-CE2 4.28Å; L168-F219 HydrophobicContact CG-CZ 4.34Å; L168-V223 HydrophobicContact CD1-CG1 4Å; L168-V224 HydrophobicContact CD1-CG2 4.18Å; L168-F227 HydrophobicContact CD1-CB 3.83Å; L168-F227 HydrophobicContact CD1-CD1 4.13Å; L168-F227 HydrophobicContact CD1-CD2 4.38Å; L168-F227 HydrophobicContact CD1-CG 3.85Å; L168-F227 HydrophobicContact CD2-CD1 3.58Å; L168-F227 HydrophobicContact CD2-CD2 4.04Å; L168-F227 HydrophobicContact CD2-CE1 3.51Å; L168-F227 HydrophobicContact CD2-CE2 3.97Å; L168-F227 HydrophobicContact CD2-CG 3.84Å; L168-F227 HydrophobicContact CD2-CZ 3.7Å; L168-F227 HydrophobicContact CG-CG 4.49Å; L168-I236 HydrophobicContact CD1-CD1 3.85Å; L168-I236 HydrophobicContact CD2-CD1 3.74Å; L168-I236 HydrophobicContact CG-CD1 3.99Å
169S98.6Very high98.3Very high2 Ų239.6 Ų39.61%0.01419%0.192CC..  trans-114.6141.3169.4177.90000110E171 L172 D195S169-E171 PolarHBondContact O-N 3.05Å; S169-E171 WeakPolarHBondContact OG-CB 3.19Å; S169-E171 PolarHBondContact OG-N 3.23Å; S169-L172 PolarHBondContact O-N 3.49Å; S169-D195 VanDerWaalsContact CB-OD2 3.27Å; S169-D195 WeakPolarHBondContact CB-OD2 3.32Å; S169-D195 PolarHBondContact OG-OD2 3.3Å
170P97.9Very high98.3Very high53 Ų5339.6 Ų39.634%0.34419%0.192SC..THydrogen-bonded Turntrans-63.2-16.616927.8-34.6000112.7W208 F217P170-W208 HydrophobicContact CB-CD2 4.13Å; P170-W208 HydrophobicContact CB-CH2 4.5Å; P170-W208 HydrophobicContact CB-CZ2 4.06Å; P170-W208 VanDerWaalsContact N-CH2 3.31Å; P170-F217 HydrophobicContact CG-CD2 4.07Å; P170-F217 HydrophobicContact CG-CE2 3.83Å; P170-F217 HydrophobicContact CG-CZ 4.2Å
171E97.9Very high98.3Very high95 Ų9537.4 Ų37.444%0.44419%0.188SC..THydrogen-bonded Turntrans-86.7-18.7178.7-58.4-175.8175.600113.3S169 K173 Q177 L192S169-E171 PolarHBondContact O-N 3.05Å; S169-E171 WeakPolarHBondContact OG-CB 3.19Å; S169-E171 PolarHBondContact OG-N 3.23Å; E171-K173 PolarHBondContact O-N 3.49Å; E171-Q177 PolarHBondContact O-NE2 2.67Å; E171-Q177 PolarHBondContact O-OE1 2.96Å; E171-L192 HydrophobicContact CB-CB 4.36Å; E171-L192 PolarHBondContact OE2-N 3.14Å
172L98.4Very high98.2Very high9 Ų944.4 Ų44.45%0.04722%0.22CC..  trans-78.1112-177.3-174.559.5000111.2S169 Q177 I178 L192 L196 F227S169-L172 PolarHBondContact O-N 3.49Å; L172-Q177 HydrophobicContact CD1-CB 4.49Å; L172-I178 HydrophobicContact CD1-CD1 3.92Å; L172-I178 HydrophobicContact CD1-CG1 3.95Å; L172-I178 HydrophobicContact CD2-CD1 4.21Å; L172-L192 HydrophobicContact CB-CD1 3.71Å; L172-L192 HydrophobicContact CD1-CD1 4.12Å; L172-L192 HydrophobicContact CG-CD1 4.36Å; L172-L196 HydrophobicContact CD2-CD2 4.24Å; L172-F227 HydrophobicContact CB-CE2 4.31Å; L172-F227 HydrophobicContact CD2-CE2 3.87Å; L172-F227 HydrophobicContact CD2-CZ 3.62Å; L172-F227 HydrophobicContact CG-CE2 3.97Å; L172-F227 HydrophobicContact CG-CZ 4.13Å
173K97.3Very high98.1Very high161 Ų16146.4 Ų46.470%0.723%0.228SC*.  trans-123.3-28.5-176.8-61.4173-174173.40112.7E171 M231E171-K173 PolarHBondContact O-N 3.49Å; K173-M231 VanDerWaalsContact O-SD 3.33Å
174D97.3Very high98.1Very high68 Ų6850 Ų5036%0.36425%0.251SS..SBendtrans-149.9157.1177.574.380.6000111.9N176 Q177D174-N176 VanDerWaalsContact C-N 3.25Å; D174-N176 PolarHBondContact O-N 2.96Å; D174-N176 VanDerWaalsContact OD1-CA 3.32Å; D174-N176 WeakPolarHBondContact OD1-CA 3.31Å; D174-N176 WeakPolarHBondContact OD1-CB 3.42Å; D174-N176 PolarHBondContact OD1-N 2.93Å; D174-Q177 WeakPolarHBondContact O-CB 3.41Å; D174-Q177 PolarHBondContact O-N 3.35Å; D174-Q177 PolarHBondContact O-OE1 3.3Å; D174-Q177 PolarHBondContact OD1-N 3.2Å
175W98.2Very high98Very high41 Ų4152.3 Ų52.316%0.15526%0.263CS..THydrogen-bonded Turntrans-66.1-23.8-176.7-57.6128.1000114L44 L156 L162 Q177 I178 R179 F227 M231 I233L44-W175 HydrophobicContact CD2-CB 3.89Å; L44-W175 HydrophobicContact CD2-CD2 4.39Å; L44-W175 HydrophobicContact CD2-CE3 4.26Å; L44-W175 HydrophobicContact CD2-CG 4.28Å; L156-W175 HydrophobicContact CD1-CH2 4.48Å; L156-W175 HydrophobicContact CD1-CZ2 4.28Å; L162-W175 HydrophobicContact CB-CH2 4.27Å; L162-W175 HydrophobicContact CD1-CH2 4.07Å; L162-W175 HydrophobicContact CD1-CZ3 3.68Å; L162-W175 HydrophobicContact CD2-CH2 4.04Å; L162-W175 HydrophobicContact CD2-CZ3 3.99Å; L162-W175 HydrophobicContact CG-CH2 4.36Å; L162-W175 HydrophobicContact CG-CZ3 4.33Å; W175-Q177 VanDerWaalsContact C-N 3.25Å; W175-Q177 PolarHBondContact O-N 3.41Å; W175-I178 PolarHBondContact O-N 3.1Å; W175-R179 VanDerWaalsContact CB-NH1 3.32Å; W175-R179 WeakPolarHBondContact O-CG 3.44Å; W175-R179 PolarHBondContact O-N 3.3Å; W175-R179 VanDerWaalsContact O-N 3.1Å; W175-F227 HydrophobicContact CH2-CE1 4.36Å; W175-F227 HydrophobicContact CH2-CZ 4.33Å; W175-F227 HydrophobicContact CZ3-CZ 4.43Å; W175-M231 HydrophobicContact CD2-CE 3.44Å; W175-M231 VanDerWaalsContact CD2-CE 3.44Å; W175-M231 HydrophobicContact CE3-CE 3.53Å; W175-M231 HydrophobicContact CG-CE 4.15Å; W175-M231 HydrophobicContact CH2-CB 4.04Å; W175-M231 HydrophobicContact CH2-CE 3.55Å; W175-M231 HydrophobicContact CH2-CG 4.36Å; W175-M231 HydrophobicContact CZ2-CB 3.71Å; W175-M231 HydrophobicContact CZ2-CE 3.48Å; W175-M231 VanDerWaalsContact CZ2-CE 3.48Å; W175-M231 HydrophobicContact CZ2-CG 4.36Å; W175-M231 HydrophobicContact CZ3-CE 3.57Å; W175-I233 HydrophobicContact CH2-CD1 4.41Å; W175-I233 HydrophobicContact CH2-CG2 4.29Å; W175-I233 HydrophobicContact CZ2-CG2 3.81Å
176N98.2Very high97.9Very high94 Ų9458.6 Ų58.650%0.50329%0.293SS..Hα-helixtrans-72.3-22.9-178.2-59.7-34.9000112D174 I178 R179 S180D174-N176 VanDerWaalsContact C-N 3.25Å; D174-N176 PolarHBondContact O-N 2.96Å; D174-N176 VanDerWaalsContact OD1-CA 3.32Å; D174-N176 WeakPolarHBondContact OD1-CA 3.31Å; D174-N176 WeakPolarHBondContact OD1-CB 3.42Å; D174-N176 PolarHBondContact OD1-N 2.93Å; N176-I178 PolarHBondContact O-N 2.85Å; N176-R179 PolarHBondContact O-N 3.49Å; N176-R179 PolarHBondContact OD1-NH1 3.15Å; N176-S180 VanDerWaalsContact O-CB 3.24Å; N176-S180 WeakPolarHBondContact O-CB 3.49Å; N176-S180 PolarHBondContact O-N 2.94Å; N176-S180 PolarHBondContact O-OG 2.94Å
177Q98.3Very high97.8Very high54 Ų5459.7 Ų59.725%0.25230%0.298SS..Hα-helixtrans-58.1-34.4170.6-66.7177.4-89.800112.2E171 L172 D174 W175 V181 L192E171-Q177 PolarHBondContact O-NE2 2.67Å; E171-Q177 PolarHBondContact O-OE1 2.96Å; L172-Q177 HydrophobicContact CD1-CB 4.49Å; D174-Q177 WeakPolarHBondContact O-CB 3.41Å; D174-Q177 PolarHBondContact O-N 3.35Å; D174-Q177 PolarHBondContact O-OE1 3.3Å; D174-Q177 PolarHBondContact OD1-N 3.2Å; W175-Q177 VanDerWaalsContact C-N 3.25Å; W175-Q177 PolarHBondContact O-N 3.41Å; Q177-V181 VanDerWaalsContact O-CG2 3.3Å; Q177-V181 WeakPolarHBondContact O-CG2 3.46Å; Q177-L192 HydrophobicContact CB-CD2 3.86Å
178I98.6Very high97.7Very high0 Ų062.1 Ų62.10%031%0.314CS..Hα-helixtrans-84.1-46.2174.8-55.6177.5000110.3M43 L44 V153 A154 L172 W175 N176 S180 V181 L192 L196M43-I178 HydrophobicContact CB-CG2 4.05Å; M43-I178 WeakPolarHBondContact CB-O 3.3Å; L44-I178 HydrophobicContact CB-CB 4.24Å; L44-I178 HydrophobicContact CB-CG2 3.82Å; V153-I178 HydrophobicContact CG2-CG2 3.79Å; A154-I178 HydrophobicContact CB-CD1 4.06Å; A154-I178 HydrophobicContact CB-CG2 4.44Å; L172-I178 HydrophobicContact CD1-CD1 3.92Å; L172-I178 HydrophobicContact CD1-CG1 3.95Å; L172-I178 HydrophobicContact CD2-CD1 4.21Å; W175-I178 PolarHBondContact O-N 3.1Å; N176-I178 PolarHBondContact O-N 2.85Å; I178-S180 VanDerWaalsContact C-N 3.27Å; I178-S180 PolarHBondContact O-N 2.97Å; I178-V181 WeakPolarHBondContact O-CB 3.41Å; I178-V181 WeakPolarHBondContact O-CG2 3.35Å; I178-V181 PolarHBondContact O-N 2.85Å; I178-L192 HydrophobicContact CG1-CD2 4.44Å; I178-L196 HydrophobicContact CD1-CD1 3.91Å; I178-L196 HydrophobicContact CD1-CD2 4.44Å; I178-L196 HydrophobicContact CG1-CD1 4.17Å
179R98.1Very high97.5Very high88 Ų8869 Ų6933%0.33235%0.351SS..Hα-helixtrans-59.2-34.3-177.4-66.4179.8-177.8119.80.1113.8L44 E46 W175 N176 V181L44-R179 HydrophobicContact CB-CG 4.07Å; L44-R179 HydrophobicContact CD2-CG 4.23Å; E46-R179 VanDerWaalsContact CD-NH2 3.29Å; E46-R179 IonicContact OE1-CZ 2.7Å; E46-R179 IonicContact OE1-NE 2.83Å; E46-R179 PolarHBondContact OE1-NE 3.27Å; E46-R179 IonicContact OE1-NH2 2.79Å; E46-R179 PolarHBondContact OE1-NH2 2.76Å; E46-R179 IonicContact OE2-NH2 3.95Å; E46-R179 PolarHBondContact OE2-NH2 3.14Å; W175-R179 VanDerWaalsContact CB-NH1 3.32Å; W175-R179 WeakPolarHBondContact O-CG 3.44Å; W175-R179 PolarHBondContact O-N 3.3Å; W175-R179 VanDerWaalsContact O-N 3.1Å; N176-R179 PolarHBondContact O-N 3.49Å; N176-R179 PolarHBondContact OD1-NH1 3.15Å; R179-V181 VanDerWaalsContact C-N 3.31Å; R179-V181 PolarHBondContact O-N 2.83Å
180S97.5Very high97.4Very high76 Ų7674.8 Ų74.853%0.53138%0.381SS..THydrogen-bonded Turntrans-80-9.9-175.260.50000114.4N176 I178 Q182N176-S180 VanDerWaalsContact O-CB 3.24Å; N176-S180 WeakPolarHBondContact O-CB 3.49Å; N176-S180 PolarHBondContact O-N 2.94Å; N176-S180 PolarHBondContact O-OG 2.94Å; I178-S180 VanDerWaalsContact C-N 3.27Å; I178-S180 PolarHBondContact O-N 2.97Å; S180-Q182 PolarHBondContact O-N 3.21Å; S180-Q182 PolarHBondContact O-NE2 3.33Å; S180-Q182 VanDerWaalsContact O-NE2 3.12Å
181V97.9Very high97.3Very high33 Ų3373 Ų7320%0.237%0.373CS..  trans-63.7123.4-179.4176.90000110.4M43 Q177 I178 R179 L185 L193M43-V181 HydrophobicContact CB-CB 4.37Å; M43-V181 HydrophobicContact CE-CB 4.13Å; M43-V181 HydrophobicContact CE-CG1 3.54Å; M43-V181 HydrophobicContact CG-CB 3.96Å; M43-V181 HydrophobicContact CG-CG1 4.15Å; Q177-V181 VanDerWaalsContact O-CG2 3.3Å; Q177-V181 WeakPolarHBondContact O-CG2 3.46Å; I178-V181 WeakPolarHBondContact O-CB 3.41Å; I178-V181 WeakPolarHBondContact O-CG2 3.35Å; I178-V181 PolarHBondContact O-N 2.85Å; R179-V181 VanDerWaalsContact C-N 3.31Å; R179-V181 PolarHBondContact O-N 2.83Å; V181-L185 HydrophobicContact CG1-CD2 3.8Å; V181-L193 HydrophobicContact CG1-CD1 3.84Å; V181-L193 HydrophobicContact CG2-CD1 4.42Å; V181-L193 HydrophobicContact CG2-CD2 4.24Å
182Q97.2Very high97.3Very high158 Ų15869.4 Ų69.474%0.73836%0.357SS*.  trans-76.6141.5177.9-60.4-59.4-60.800110.9S180S180-Q182 PolarHBondContact O-N 3.21Å; S180-Q182 PolarHBondContact O-NE2 3.33Å; S180-Q182 VanDerWaalsContact O-NE2 3.12Å
183R97.2Very high97.3Very high42 Ų4269.8 Ų69.816%0.15836%0.359CS..SBendtrans-125.5152.8175.6-81.3-178-70.6151.513.8110.5L38 D41 M43 W150L38-R183 PolarHBondContact O-NH1 2.88Å; D41-R183 PolarHBondContact O-NH2 3.41Å; M43-R183 HydrophobicContact CE-CG 4.4Å; M43-R183 HydrophobicContact CG-CG 4Å; M43-R183 WeakPolarHBondContact SD-CD 3.19Å; M43-R183 HydrophobicContact SD-CG 3.83Å; W150-R183 HydrophobicContact CE3-CB 3.69Å; W150-R183 WeakPolarHBondContact CH2-O 3.35Å; W150-R183 HydrophobicContact CZ3-CB 3.76Å; W150-R183 WeakPolarHBondContact CZ3-O 3.03Å; W150-R183 WeakPolarHBondContact O-CD 3.46Å; W150-R183 PolarHBondContact O-NH1 3.34Å
184P97.5Very high97.4Very high75 Ų7562.1 Ų62.149%0.48733%0.326SS..SBendcis-77.8149.75.231.6-27.9000111.8N149 W150N149-P184 HydrophobicContact CB-CB 3.81Å; N149-P184 VanDerWaalsContact O-CA 3.32Å; N149-P184 WeakPolarHBondContact O-CA 3.35Å; W150-P184 HydrophobicContact CD2-CB 4Å; W150-P184 HydrophobicContact CG-CB 4.36Å; W150-P184 HydrophobicContact CH2-CB 4.48Å; W150-P184 VanDerWaalsContact CH2-CD 3.45Å; W150-P184 HydrophobicContact CH2-CG 4.23Å; W150-P184 HydrophobicContact CZ2-CB 3.92Å; W150-P184 VanDerWaalsContact CZ2-CD 3.4Å; W150-P184 HydrophobicContact CZ2-CG 3.66Å
185L97.4Very high97.4Very high49 Ų4959 Ų5926%0.25731%0.309SS..  trans-145.5144.1-179.2137.7111.5000110.9M43 R114 N149 V181 L193M43-L185 HydrophobicContact CE-CD2 3.97Å; R114-L185 PolarHBondContact NH1-O 3.07Å; N149-L185 WeakPolarHBondContact CA-O 3.35Å; N149-L185 WeakPolarHBondContact CB-O 3.42Å; N149-L185 PolarHBondContact O-N 3.26Å; N149-L185 VanDerWaalsContact O-N 3.08Å; N149-L185 PolarHBondContact OD1-O 3.45Å; N149-L185 VanDerWaalsContact OD1-O 3.1Å; V181-L185 HydrophobicContact CG1-CD2 3.8Å; L185-L193 HydrophobicContact CD1-CD1 4.4Å; L185-L193 HydrophobicContact CD2-CD1 3.43Å; L185-L193 VanDerWaalsContact CD2-CD1 3.43Å
186Q97Very high97.5Very high132 Ų13257.1 Ų57.162%0.61730%0.302SS*.PPolyproline II helixtrans-83.1137.6163.4-67.6-178.8-14.500109.8
187I96.5Very high97.5Very high24 Ų2452.7 Ų52.712%0.12328%0.278CS..PPolyproline II helixtrans-66.1128.1179.6-58.8-64000109.1V153 L193 L197V153-I187 HydrophobicContact CG1-CD1 4.13Å; I187-L193 HydrophobicContact CD1-CB 4.31Å; I187-L197 HydrophobicContact CD1-CD2 4.03Å; I187-L197 HydrophobicContact CG1-CD2 3.8Å; I187-L197 HydrophobicContact CG2-CD2 4.29Å
188P96.2Very high97.5Very high50 Ų5052.1 Ų52.133%0.32527%0.274SS..PPolyproline II helixtrans-66.2164.2175.129.2-35.6000111.5D190 L193 C194P188-D190 VanDerWaalsContact C-N 3.27Å; P188-D190 VanDerWaalsContact CG-O 3.31Å; P188-D190 WeakPolarHBondContact CG-O 3.3Å; P188-D190 PolarHBondContact O-N 3.32Å; P188-L193 HydrophobicContact CG-CB 4.24Å; P188-C194 WeakPolarHBondContact O-CB 3.41Å
189N93.9Very high97.5Very high144 Ų14452.1 Ų52.177%0.7727%0.274SS*.SBendtrans-75.8-16.2178.5-65.8-27.9000113C194N189-C194 PolarHBondContact O-SG 3.27Å
190D96.1Very high97.5Very high124 Ų12448.3 Ų48.366%0.66326%0.26SS*.SBendtrans-145.7175.5-178.961.9-8.9000112.2P188P188-D190 VanDerWaalsContact C-N 3.27Å; P188-D190 VanDerWaalsContact CG-O 3.31Å; P188-D190 WeakPolarHBondContact CG-O 3.3Å; P188-D190 PolarHBondContact O-N 3.32Å
191G97.3Very high97.6Very high17 Ų1745.3 Ų45.318%0.17524%0.239CC..SBendtrans78.7-174.9179.400000114.2L193 C194 D195G191-L193 VanDerWaalsContact C-N 3.33Å; G191-L193 PolarHBondContact O-N 3.04Å; G191-L193 VanDerWaalsContact O-N 3.09Å; G191-C194 WeakPolarHBondContact O-CB 3.45Å; G191-C194 PolarHBondContact O-N 2.82Å; G191-D195 PolarHBondContact O-N 2.92Å; G191-D195 VanDerWaalsContact O-N 3.07Å
192L98.1Very high97.6Very high19 Ų1945.9 Ų45.910%0.09924%0.241CC..Hα-helixtrans-41.5-52.9-171.9175.858.7000114.6E171 L172 Q177 I178 C194 D195 L196E171-L192 HydrophobicContact CB-CB 4.36Å; E171-L192 PolarHBondContact OE2-N 3.14Å; L172-L192 HydrophobicContact CB-CD1 3.71Å; L172-L192 HydrophobicContact CD1-CD1 4.12Å; L172-L192 HydrophobicContact CG-CD1 4.36Å; Q177-L192 HydrophobicContact CB-CD2 3.86Å; I178-L192 HydrophobicContact CG1-CD2 4.44Å; L192-C194 PolarHBondContact O-N 2.73Å; L192-D195 PolarHBondContact O-N 2.91Å; L192-L196 HydrophobicContact CD1-CD1 4.17Å; L192-L196 HydrophobicContact CD1-CD2 4.29Å; L192-L196 HydrophobicContact CD1-CG 4.06Å; L192-L196 HydrophobicContact CG-CD1 4.29Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 3.42Å
193L98.2Very high97.5Very high16 Ų1643.2 Ų43.28%0.08424%0.236CC..Hα-helixtrans-71.1-31.1-173.7-61.7-175.4000113.5M43 V153 V181 L185 I187 P188 G191 L196M43-L193 HydrophobicContact CE-CD1 4.35Å; M43-L193 HydrophobicContact CE-CD2 4.25Å; V153-L193 HydrophobicContact CG1-CD2 4.46Å; V153-L193 HydrophobicContact CG2-CD2 3.97Å; V181-L193 HydrophobicContact CG1-CD1 3.84Å; V181-L193 HydrophobicContact CG2-CD1 4.42Å; V181-L193 HydrophobicContact CG2-CD2 4.24Å; L185-L193 HydrophobicContact CD1-CD1 4.4Å; L185-L193 HydrophobicContact CD2-CD1 3.43Å; L185-L193 VanDerWaalsContact CD2-CD1 3.43Å; I187-L193 HydrophobicContact CD1-CB 4.31Å; P188-L193 HydrophobicContact CG-CB 4.24Å; G191-L193 VanDerWaalsContact C-N 3.33Å; G191-L193 PolarHBondContact O-N 3.04Å; G191-L193 VanDerWaalsContact O-N 3.09Å; L193-L196 HydrophobicContact CD2-CD1 4.14Å
194C98.1Very high97.5Very high1 Ų151.2 Ų51.21%0.00727%0.267CS..Hα-helixtrans-67-47.8172.8-174.50000109.6P188 N189 G191 L192 L196 L197 W198P188-C194 WeakPolarHBondContact O-CB 3.41Å; N189-C194 PolarHBondContact O-SG 3.27Å; G191-C194 WeakPolarHBondContact O-CB 3.45Å; G191-C194 PolarHBondContact O-N 2.82Å; L192-C194 PolarHBondContact O-N 2.73Å; C194-L196 PolarHBondContact O-N 2.71Å; C194-L197 CarbonylContact O-C 3.43Å; C194-L197 PolarHBondContact O-N 2.61Å; C194-W198 WeakPolarHBondContact O-CB 3.47Å; C194-W198 VanDerWaalsContact O-CD1 3.32Å; C194-W198 PolarHBondContact O-N 3.26Å
195D98.6Very high97.5Very high3 Ų349.7 Ų49.72%0.01626%0.255CS..Hα-helixtrans-58.7-43.4-180-61.4-24.9000112.7G167 S169 G191 L192 L197 W198 A199 G216 F217G167-D195 PolarHBondContact N-O 3.31Å; S169-D195 VanDerWaalsContact CB-OD2 3.27Å; S169-D195 WeakPolarHBondContact CB-OD2 3.32Å; S169-D195 PolarHBondContact OG-OD2 3.3Å; G191-D195 PolarHBondContact O-N 2.92Å; G191-D195 VanDerWaalsContact O-N 3.07Å; L192-D195 PolarHBondContact O-N 2.91Å; D195-L197 PolarHBondContact O-N 3Å; D195-W198 PolarHBondContact O-N 3.24Å; D195-A199 HydrophobicContact CB-CB 4.42Å; D195-A199 WeakPolarHBondContact O-CB 3.08Å; D195-A199 PolarHBondContact O-N 2.93Å; D195-G216 WeakPolarHBondContact OD1-CA 3.14Å; D195-F217 WeakPolarHBondContact OD1-CD2 3.33Å
196L98.7Very high97.5Very high0 Ų055.7 Ų55.70%028%0.279CS..Hα-helixtrans-57.5-24.2177.5-68.4178.7000113.2V153 M164 G166 G167 L172 I178 L192 L193 C194V153-L196 HydrophobicContact CB-CD1 4.27Å; V153-L196 HydrophobicContact CG2-CD1 3.74Å; M164-L196 HydrophobicContact CE-CD2 3.1Å; M164-L196 HydrophobicContact CE-CG 4.42Å; G166-L196 VanDerWaalsContact CA-O 3.23Å; G166-L196 WeakPolarHBondContact CA-O 3.27Å; G166-L196 PolarHBondContact N-O 2.87Å; G167-L196 PolarHBondContact N-O 2.94Å; G167-L196 WeakPolarHBondContact O-CA 3.48Å; L172-L196 HydrophobicContact CD2-CD2 4.24Å; I178-L196 HydrophobicContact CD1-CD1 3.91Å; I178-L196 HydrophobicContact CD1-CD2 4.44Å; I178-L196 HydrophobicContact CG1-CD1 4.17Å; L192-L196 HydrophobicContact CD1-CD1 4.17Å; L192-L196 HydrophobicContact CD1-CD2 4.29Å; L192-L196 HydrophobicContact CD1-CG 4.06Å; L192-L196 HydrophobicContact CG-CD1 4.29Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 3.42Å; L193-L196 HydrophobicContact CD2-CD1 4.14Å; C194-L196 PolarHBondContact O-N 2.71Å
197L98.6Very high97.6Very high2 Ų250.3 Ų50.31%0.0126%0.258CS..Hα-helixtrans-104.9-19.7-178.7-86.961.5000113.1R114 G115 N116 V153 H165 I187 C194 D195R114-L197 HydrophobicContact CB-CD2 4.41Å; R114-L197 HydrophobicContact CG-CD2 4.15Å; G115-L197 WeakPolarHBondContact O-CD2 3.19Å; N116-L197 HydrophobicContact CB-CB 4.29Å; V153-L197 HydrophobicContact CB-CD1 3.99Å; V153-L197 HydrophobicContact CG1-CD1 3.91Å; H165-L197 PolarHBondContact CD2-O 3.49Å; I187-L197 HydrophobicContact CD1-CD2 4.03Å; I187-L197 HydrophobicContact CG1-CD2 3.8Å; I187-L197 HydrophobicContact CG2-CD2 4.29Å; C194-L197 CarbonylContact O-C 3.43Å; C194-L197 PolarHBondContact O-N 2.61Å; D195-L197 PolarHBondContact O-N 3Å
198W98.5Very high97.6Very high41 Ų4153.1 Ų53.116%0.15527%0.267CS..Hα-helixtrans-123.9-18-171-7495000115.6N116 I122 C194 D195 R213 A215N116-W198 HydrophobicContact CB-CD2 3.93Å; N116-W198 VanDerWaalsContact CB-CE2 3.48Å; N116-W198 HydrophobicContact CB-CG 4.36Å; N116-W198 HydrophobicContact CB-CH2 4.35Å; N116-W198 HydrophobicContact CB-CZ2 3.73Å; N116-W198 WeakPolarHBondContact ND2-CH2 3.34Å; N116-W198 WeakPolarHBondContact ND2-CZ2 3.36Å; N116-W198 WeakPolarHBondContact ND2-CZ3 3.32Å; I122-W198 HydrophobicContact CD1-CH2 3.75Å; I122-W198 HydrophobicContact CD1-CZ2 3.73Å; I122-W198 HydrophobicContact CG1-CH2 4.28Å; I122-W198 HydrophobicContact CG1-CZ2 3.89Å; C194-W198 WeakPolarHBondContact O-CB 3.47Å; C194-W198 VanDerWaalsContact O-CD1 3.32Å; C194-W198 PolarHBondContact O-N 3.26Å; D195-W198 PolarHBondContact O-N 3.24Å; W198-R213 HydrophobicContact CE3-CB 4.23Å; W198-R213 HydrophobicContact CZ3-CB 4.38Å; W198-A215 HydrophobicContact CB-CB 4.19Å; W198-A215 HydrophobicContact CD2-CB 3.85Å; W198-A215 HydrophobicContact CE3-CB 4.2Å; W198-A215 HydrophobicContact CG-CB 3.86Å
199A98.5Very high97.7Very high0 Ų055.5 Ų55.50%028%0.275CS..  trans-73.4143.2-173.300000112.3G166 G167 L168 D195 F217 F219 R238G166-A199 CarbonylContact C-O 3.45Å; G167-A199 WeakPolarHBondContact CA-O 3.12Å; G167-A199 PolarHBondContact N-O 2.93Å; G167-A199 VanDerWaalsContact N-O 3.08Å; L168-A199 VanDerWaalsContact O-CB 3.28Å; L168-A199 WeakPolarHBondContact O-CB 3.14Å; D195-A199 HydrophobicContact CB-CB 4.42Å; D195-A199 WeakPolarHBondContact O-CB 3.08Å; D195-A199 PolarHBondContact O-N 2.93Å; A199-F217 CarbonylContact C-O 3.49Å; A199-F217 WeakPolarHBondContact CA-O 3.5Å; A199-F217 WeakPolarHBondContact CB-O 3.35Å; A199-F219 HydrophobicContact CB-CD1 4.21Å; A199-F219 HydrophobicContact CB-CE1 3.91Å; A199-R238 PolarHBondContact O-NH2 3.03Å
200D98.7Very high97.8Very high8 Ų853.4 Ų53.44%0.04327%0.27CS..EExtended strand (participates in β ladder)trans-122.5143.6-175.9-81.4-35.7000113.3R213 F217 T218 F219 R238 H240 Q241D200-R213 IonicContact OD1-NH2 2.86Å; D200-R213 IonicContact OD2-CZ 2.73Å; D200-R213 IonicContact OD2-NE 2.77Å; D200-R213 PolarHBondContact OD2-NE 3.44Å; D200-R213 IonicContact OD2-NH2 3.72Å; D200-R213 PolarHBondContact OD2-NH2 3.16Å; D200-F217 PolarHBondContact N-O 3.26Å; D200-T218 HydrophobicContact CB-CG2 4.32Å; D200-T218 CarbonylContact O-C 3.22Å; D200-T218 WeakPolarHBondContact O-CA 3.48Å; D200-F219 VanDerWaalsContact O-CD1 3.29Å; D200-F219 WeakPolarHBondContact O-CD1 3.47Å; D200-F219 WeakPolarHBondContact O-CE1 3.46Å; D200-F219 PolarHBondContact O-N 3.1Å; D200-R238 IonicContact OD1-CZ 3.18Å; D200-R238 VanDerWaalsContact OD1-CZ 3.27Å; D200-R238 IonicContact OD1-NH1 3.48Å; D200-R238 PolarHBondContact OD1-NH1 3.24Å; D200-R238 IonicContact OD1-NH2 3.67Å; D200-R238 PolarHBondContact OD1-NH2 3.09Å; D200-H240 IonicContact OD1-CD2 3.78Å; D200-H240 PolarHBondContact OD1-CD2 3.45Å; D200-Q241 VanDerWaalsContact CG-CD 3.43Å; D200-Q241 VanDerWaalsContact OD1-CG 3.25Å; D200-Q241 WeakPolarHBondContact OD1-CG 3.43Å; D200-Q241 PolarHBondContact OD1-NE2 3.45Å; D200-Q241 PolarHBondContact OD1-OE1 3.34Å; D200-Q241 PolarHBondContact OD2-NE2 3.11Å
201P98.5Very high97.8Very high14 Ų1448.1 Ų48.19%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-68.9144.2164.230.7-34.3000110.8F219 F250 L255P201-F219 WeakPolarHBondContact CA-O 3.1Å; P201-F219 HydrophobicContact CB-CD2 4.49Å; P201-F219 HydrophobicContact CB-CE2 3.9Å; P201-F219 HydrophobicContact CB-CZ 4.18Å; P201-F250 HydrophobicContact CB-CD1 3.78Å; P201-F250 HydrophobicContact CB-CD2 4.41Å; P201-F250 HydrophobicContact CB-CE1 3.77Å; P201-F250 HydrophobicContact CB-CE2 4.4Å; P201-F250 HydrophobicContact CB-CG 4.1Å; P201-F250 HydrophobicContact CB-CZ 4.08Å; P201-L255 HydrophobicContact CB-CD1 4.48Å; P201-L255 HydrophobicContact CB-CD2 4.44Å; P201-L255 HydrophobicContact CG-CD2 4.08Å
202D97.9Very high97.7Very high44 Ų4453.3 Ų53.324%0.23528%0.276CS..  trans-135.9125.5174.4-176.1-16.3000110.5Y204 I205 T218 F219D202-Y204 VanDerWaalsContact C-N 3.31Å; D202-Y204 PolarHBondContact O-N 3.46Å; D202-Y204 WeakPolarHBondContact OD1-CD2 3.18Å; D202-Y204 PolarHBondContact OD1-N 3.03Å; D202-I205 HydrophobicContact CB-CD1 3.93Å; D202-I205 HydrophobicContact CB-CG1 3.89Å; D202-T218 HydrophobicContact CB-CG2 4.47Å; D202-F219 PolarHBondContact N-O 2.9Å
203T96.4Very high97.4Very high103 Ų10357.3 Ų57.363%0.63229%0.29SS*.THydrogen-bonded Turntrans-74-18.2-178.325.70000113.8F250T203-F250 HydrophobicContact CG2-CD2 3.83Å; T203-F250 HydrophobicContact CG2-CE2 3.61Å
204Y96.6Very high97.2Very high209 Ų20960.1 Ų60.182%0.8232%0.323SS*.THydrogen-bonded Turntrans-99.5-0.5-172.5-56.2-72.7000113.7D202D202-Y204 VanDerWaalsContact C-N 3.31Å; D202-Y204 PolarHBondContact O-N 3.46Å; D202-Y204 WeakPolarHBondContact OD1-CD2 3.18Å; D202-Y204 PolarHBondContact OD1-N 3.03Å
205I97.5Very high97.1Very high44 Ų4461 Ų6123%0.22633%0.329CS..  trans-119.9164.3-177.875.1175.3000112.5D202 M209 T218D202-I205 HydrophobicContact CB-CD1 3.93Å; D202-I205 HydrophobicContact CB-CG1 3.89Å; I205-M209 HydrophobicContact CB-CG 4.44Å; I205-M209 HydrophobicContact CD1-CB 3.96Å; I205-M209 HydrophobicContact CD1-CG 3.95Å; I205-M209 HydrophobicContact CG2-CG 4.38Å; I205-T218 WeakPolarHBondContact CD1-OG1 3.36Å
206K97.6Very high96.9Very high175 Ų17561.5 Ų61.576%0.76134%0.336SS*.SBendtrans-122.6138.1169.5-172.6178.9-178.9177.70109.1D222K206-D222 HydrophobicContact CG-CB 4.49Å; K206-D222 WeakPolarHBondContact CG-OD2 3.36Å
207G98.4Very high96.9Very high18 Ų1864.7 Ų64.719%0.18635%0.35CS..SBendtrans73.5-139.5-176.300000112.3F219 G220 D222 V223G207-F219 WeakPolarHBondContact O-CA 3.2Å; G207-G220 PolarHBondContact O-N 3.27Å; G207-D222 PolarHBondContact N-OD1 3.49Å; G207-D222 PolarHBondContact N-OD2 2.89Å; G207-V223 VanDerWaalsContact O-CG2 3.29Å; G207-V223 WeakPolarHBondContact O-CG2 3.33Å
208W98.2Very high96.9Very high84 Ų8465.4 Ų65.432%0.31835%0.354SS..EExtended strand (participates in β ladder)trans-115.3142.1-175.7-6193.6000110.9L168 P170 F217 T218 F219 V223L168-W208 HydrophobicContact CB-CH2 3.55Å; L168-W208 HydrophobicContact CB-CZ2 4.47Å; L168-W208 HydrophobicContact CB-CZ3 4.25Å; L168-W208 WeakPolarHBondContact O-CZ3 3.21Å; P170-W208 HydrophobicContact CB-CD2 4.13Å; P170-W208 HydrophobicContact CB-CH2 4.5Å; P170-W208 HydrophobicContact CB-CZ2 4.06Å; P170-W208 VanDerWaalsContact N-CH2 3.31Å; W208-F217 HydrophobicContact CB-CD1 4.49Å; W208-F217 HydrophobicContact CE3-CB 3.72Å; W208-F217 HydrophobicContact CE3-CG 4.19Å; W208-F217 HydrophobicContact CZ3-CB 4.16Å; W208-T218 WeakPolarHBondContact CA-O 3.42Å; W208-F219 HydrophobicContact CD2-CB 4.26Å; W208-F219 HydrophobicContact CE3-CB 3.7Å; W208-F219 HydrophobicContact CH2-CB 4.29Å; W208-F219 HydrophobicContact CZ3-CB 3.71Å; W208-F219 AromaticContact CZ3-CD1 3.92Å; W208-F219 HydrophobicContact CZ3-CD1 3.92Å; W208-F219 HydrophobicContact CZ3-CG 4.1Å; W208-V223 HydrophobicContact CD2-CG1 4.4Å; W208-V223 HydrophobicContact CD2-CG2 4.42Å; W208-V223 HydrophobicContact CG-CG2 4.49Å; W208-V223 HydrophobicContact CH2-CG1 3.81Å; W208-V223 HydrophobicContact CZ2-CG1 3.27Å
209M97.5Very high96.9Very high99 Ų9963.4 Ų63.449%0.48835%0.347SS..EExtended strand (participates in β ladder)trans-137.2150172.2-71.3-67.7-69.800110.1I205 S211 F217 T218I205-M209 HydrophobicContact CB-CG 4.44Å; I205-M209 HydrophobicContact CD1-CB 3.96Å; I205-M209 HydrophobicContact CD1-CG 3.95Å; I205-M209 HydrophobicContact CG2-CG 4.38Å; M209-S211 PolarHBondContact O-N 3.16Å; M209-F217 CarbonylContact O-C 3.59Å; M209-F217 WeakPolarHBondContact O-CA 3.41Å; M209-F217 WeakPolarHBondContact O-CB 3.26Å; M209-F217 WeakPolarHBondContact O-CD1 3.43Å; M209-T218 WeakPolarHBondContact CB-OG1 3.27Å; M209-T218 PolarHBondContact N-O 3.39Å; M209-T218 PolarHBondContact O-N 2.7Å; M209-T218 PolarHBondContact O-OG1 3.14Å
210P95.8Very high96.9Very high101 Ų10163.4 Ų63.466%0.65635%0.347SS*.EExtended strand (participates in β ladder)trans-57.8136.7172.7-2434.4000111.7
211S96.1Very high96.9Very high13 Ų1365 Ų659%0.09136%0.36CS..  trans-70.2140.6179.2179.10000112.3M209 R213 G214 A215 G216M209-S211 PolarHBondContact O-N 3.16Å; S211-R213 PolarHBondContact O-N 3.2Å; S211-R213 WeakPolarHBondContact OG-CB 3.48Å; S211-R213 WeakPolarHBondContact OG-CG 3.48Å; S211-R213 PolarHBondContact OG-N 3.21Å; S211-R213 VanDerWaalsContact OG-N 3.15Å; S211-G214 PolarHBondContact O-N 3Å; S211-A215 WeakPolarHBondContact CB-O 3.26Å; S211-A215 PolarHBondContact OG-O 2.88Å; S211-G216 VanDerWaalsContact CB-O 3.22Å; S211-G216 WeakPolarHBondContact CB-O 3.44Å; S211-G216 PolarHBondContact N-O 3.19Å
212S94.2Very high96.9Very high125 Ų12567.3 Ų67.387%0.87437%0.372SS*.THydrogen-bonded Turntrans-67.3-12.7171.459.20000113.3G214S212-G214 PolarHBondContact O-N 3.5Å
213R93.8Very high96.9Very high104 Ų10466 Ų6639%0.39237%0.366SS..THydrogen-bonded Turntrans-73.3-12.4175.7-58.2-177.8-175.1-99.511.4113.4W198 D200 S211 A215 H240W198-R213 HydrophobicContact CE3-CB 4.23Å; W198-R213 HydrophobicContact CZ3-CB 4.38Å; D200-R213 IonicContact OD1-NH2 2.86Å; D200-R213 IonicContact OD2-CZ 2.73Å; D200-R213 IonicContact OD2-NE 2.77Å; D200-R213 PolarHBondContact OD2-NE 3.44Å; D200-R213 IonicContact OD2-NH2 3.72Å; D200-R213 PolarHBondContact OD2-NH2 3.16Å; S211-R213 PolarHBondContact O-N 3.2Å; S211-R213 WeakPolarHBondContact OG-CB 3.48Å; S211-R213 WeakPolarHBondContact OG-CG 3.48Å; S211-R213 PolarHBondContact OG-N 3.21Å; S211-R213 VanDerWaalsContact OG-N 3.15Å; R213-A215 PolarHBondContact O-N 3Å; R213-H240 VanDerWaalsContact CZ-NE2 3.29Å; R213-H240 PolarHBondContact NE-NE2 3.23Å
214G93.5Very high97Very high75 Ų7561 Ų6177%0.77334%0.335SS*.SBendtrans78.44.3-173.200000114.4S211 S212S211-G214 PolarHBondContact O-N 3Å; S212-G214 PolarHBondContact O-N 3.5Å
215A95Very high97.1Very high18 Ų1852.7 Ų52.715%0.14931%0.306CS..SBendtrans-145.3141.5175.200000109.7W198 S211 R213W198-A215 HydrophobicContact CB-CB 4.19Å; W198-A215 HydrophobicContact CD2-CB 3.85Å; W198-A215 HydrophobicContact CE3-CB 4.2Å; W198-A215 HydrophobicContact CG-CB 3.86Å; S211-A215 WeakPolarHBondContact CB-O 3.26Å; S211-A215 PolarHBondContact OG-O 2.88Å; R213-A215 PolarHBondContact O-N 3Å
216G95.5Very high97.2Very high15 Ų1557.8 Ų57.816%0.15533%0.327CS..SBendtrans72-166.9-176.900000115.1D195 S211D195-G216 WeakPolarHBondContact OD1-CA 3.14Å; S211-G216 VanDerWaalsContact CB-O 3.22Å; S211-G216 WeakPolarHBondContact CB-O 3.44Å; S211-G216 PolarHBondContact N-O 3.19Å
217F97.6Very high97.2Very high67 Ų6750.2 Ų50.229%0.29429%0.294SS..EExtended strand (participates in β ladder)trans-123.6158.1180-67.1-93000111.6P170 D195 A199 D200 W208 M209P170-F217 HydrophobicContact CG-CD2 4.07Å; P170-F217 HydrophobicContact CG-CE2 3.83Å; P170-F217 HydrophobicContact CG-CZ 4.2Å; D195-F217 WeakPolarHBondContact OD1-CD2 3.33Å; A199-F217 CarbonylContact C-O 3.49Å; A199-F217 WeakPolarHBondContact CA-O 3.5Å; A199-F217 WeakPolarHBondContact CB-O 3.35Å; D200-F217 PolarHBondContact N-O 3.26Å; W208-F217 HydrophobicContact CB-CD1 4.49Å; W208-F217 HydrophobicContact CE3-CB 3.72Å; W208-F217 HydrophobicContact CE3-CG 4.19Å; W208-F217 HydrophobicContact CZ3-CB 4.16Å; M209-F217 CarbonylContact O-C 3.59Å; M209-F217 WeakPolarHBondContact O-CA 3.41Å; M209-F217 WeakPolarHBondContact O-CB 3.26Å; M209-F217 WeakPolarHBondContact O-CD1 3.43Å
218T98.3Very high97.2Very high16 Ų1649.6 Ų49.610%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-94.1144156.950.20000109.9D200 D202 I205 W208 M209D200-T218 HydrophobicContact CB-CG2 4.32Å; D200-T218 CarbonylContact O-C 3.22Å; D200-T218 WeakPolarHBondContact O-CA 3.48Å; D202-T218 HydrophobicContact CB-CG2 4.47Å; I205-T218 WeakPolarHBondContact CD1-OG1 3.36Å; W208-T218 WeakPolarHBondContact CA-O 3.42Å; M209-T218 WeakPolarHBondContact CB-OG1 3.27Å; M209-T218 PolarHBondContact N-O 3.39Å; M209-T218 PolarHBondContact O-N 2.7Å; M209-T218 PolarHBondContact O-OG1 3.14Å
219F98.7Very high97.2Very high0 Ų052.1 Ų52.10%030%0.302CS..EExtended strand (participates in β ladder)trans-134141.3-179.654.7-90.4000113.8L168 A199 D200 P201 D202 G207 W208 V223 V224 L255L168-F219 HydrophobicContact CB-CD1 4.33Å; L168-F219 HydrophobicContact CB-CE1 4.27Å; L168-F219 HydrophobicContact CB-CZ 4.38Å; L168-F219 HydrophobicContact CD1-CD2 4.32Å; L168-F219 HydrophobicContact CD1-CE2 4.27Å; L168-F219 HydrophobicContact CG-CE2 4.28Å; L168-F219 HydrophobicContact CG-CZ 4.34Å; A199-F219 HydrophobicContact CB-CD1 4.21Å; A199-F219 HydrophobicContact CB-CE1 3.91Å; D200-F219 VanDerWaalsContact O-CD1 3.29Å; D200-F219 WeakPolarHBondContact O-CD1 3.47Å; D200-F219 WeakPolarHBondContact O-CE1 3.46Å; D200-F219 PolarHBondContact O-N 3.1Å; P201-F219 WeakPolarHBondContact CA-O 3.1Å; P201-F219 HydrophobicContact CB-CD2 4.49Å; P201-F219 HydrophobicContact CB-CE2 3.9Å; P201-F219 HydrophobicContact CB-CZ 4.18Å; D202-F219 PolarHBondContact N-O 2.9Å; G207-F219 WeakPolarHBondContact O-CA 3.2Å; W208-F219 HydrophobicContact CD2-CB 4.26Å; W208-F219 HydrophobicContact CE3-CB 3.7Å; W208-F219 HydrophobicContact CH2-CB 4.29Å; W208-F219 HydrophobicContact CZ3-CB 3.71Å; W208-F219 AromaticContact CZ3-CD1 3.92Å; W208-F219 HydrophobicContact CZ3-CD1 3.92Å; W208-F219 HydrophobicContact CZ3-CG 4.1Å; F219-V223 HydrophobicContact CB-CB 4.08Å; F219-V223 HydrophobicContact CB-CG1 4.04Å; F219-V223 HydrophobicContact CB-CG2 4.22Å; F219-V224 HydrophobicContact CD2-CG2 3.74Å; F219-V224 HydrophobicContact CE2-CG2 3.61Å; F219-L255 HydrophobicContact CE2-CD1 3.84Å; F219-L255 HydrophobicContact CZ-CD1 4.12Å
220G98.6Very high97.2Very high0 Ų051.4 Ų51.40%031%0.307CS..  trans-80.1170.5-179.500000114.4G207 D222 V223 V224G207-G220 PolarHBondContact O-N 3.27Å; G220-D222 PolarHBondContact O-N 2.92Å; G220-V223 WeakPolarHBondContact O-CB 3.24Å; G220-V223 PolarHBondContact O-N 3.33Å; G220-V223 VanDerWaalsContact O-N 3.13Å; G220-V224 PolarHBondContact O-N 2.79Å
221A98.6Very high97.4Very high40 Ų4047.5 Ų47.533%0.33128%0.28SS..Hα-helixtrans-63.2-26.5178.900000113.2T225 F250 A251A221-T225 WeakPolarHBondContact O-CB 3.41Å; A221-T225 PolarHBondContact O-N 3.38Å; A221-T225 PolarHBondContact O-OG1 2.91Å; A221-F250 HydrophobicContact CB-CE1 4.04Å; A221-F250 HydrophobicContact CB-CE2 4.32Å; A221-F250 HydrophobicContact CB-CZ 3.77Å; A221-F250 VanDerWaalsContact N-CZ 3.31Å; A221-A251 HydrophobicContact CB-CB 3.82Å
222D98.6Very high97.4Very high63 Ų6352 Ų5234%0.33730%0.303SS..Hα-helixtrans-67.7-36.8175.565-53.7000112.2K206 G207 G220 K226K206-D222 HydrophobicContact CG-CB 4.49Å; K206-D222 WeakPolarHBondContact CG-OD2 3.36Å; G207-D222 PolarHBondContact N-OD1 3.49Å; G207-D222 PolarHBondContact N-OD2 2.89Å; G220-D222 PolarHBondContact O-N 2.92Å; D222-K226 WeakPolarHBondContact O-CB 3.32Å; D222-K226 PolarHBondContact O-N 3.16Å
223V98.7Very high97.6Very high16 Ų1646.4 Ų46.410%0.09726%0.263CS..Hα-helixtrans-63.3-49.2174.5176.90000110.3L168 G207 W208 F219 G220 T225 K226 F227L168-V223 HydrophobicContact CD1-CG1 4Å; G207-V223 VanDerWaalsContact O-CG2 3.29Å; G207-V223 WeakPolarHBondContact O-CG2 3.33Å; W208-V223 HydrophobicContact CD2-CG1 4.4Å; W208-V223 HydrophobicContact CD2-CG2 4.42Å; W208-V223 HydrophobicContact CG-CG2 4.49Å; W208-V223 HydrophobicContact CH2-CG1 3.81Å; W208-V223 HydrophobicContact CZ2-CG1 3.27Å; F219-V223 HydrophobicContact CB-CB 4.08Å; F219-V223 HydrophobicContact CB-CG1 4.04Å; F219-V223 HydrophobicContact CB-CG2 4.22Å; G220-V223 WeakPolarHBondContact O-CB 3.24Å; G220-V223 PolarHBondContact O-N 3.33Å; G220-V223 VanDerWaalsContact O-N 3.13Å; V223-T225 PolarHBondContact O-N 3.43Å; V223-K226 PolarHBondContact O-N 3.4Å; V223-F227 VanDerWaalsContact O-CB 3.23Å; V223-F227 WeakPolarHBondContact O-CB 3.07Å; V223-F227 PolarHBondContact O-N 3.39Å
224V98.8Very high97.8Very high0 Ų045.8 Ų45.80%027%0.268CS..Hα-helixtrans-58.7-49178.2172.30000110.9L168 F219 G220 K226 F227 C228 I236 F250 A251 R254 L255L168-V224 HydrophobicContact CD1-CG2 4.18Å; F219-V224 HydrophobicContact CD2-CG2 3.74Å; F219-V224 HydrophobicContact CE2-CG2 3.61Å; G220-V224 PolarHBondContact O-N 2.79Å; V224-K226 PolarHBondContact O-N 2.86Å; V224-F227 PolarHBondContact O-N 3.26Å; V224-C228 WeakPolarHBondContact O-CB 3.4Å; V224-C228 PolarHBondContact O-N 3.39Å; V224-C228 PolarHBondContact O-SG 2.99Å; V224-C228 VanDerWaalsContact O-SG 3.38Å; V224-I236 HydrophobicContact CG1-CD1 4.1Å; V224-F250 HydrophobicContact CG2-CD1 4Å; V224-F250 HydrophobicContact CG2-CE1 3.78Å; V224-A251 HydrophobicContact CB-CB 3.67Å; V224-A251 HydrophobicContact CG1-CB 3.58Å; V224-A251 HydrophobicContact CG2-CB 4.31Å; V224-R254 HydrophobicContact CG1-CB 3.84Å; V224-L255 HydrophobicContact CG1-CB 4.08Å; V224-L255 HydrophobicContact CG2-CD1 4.03Å
225T98.6Very high98.1Very high33 Ų3342.8 Ų42.820%0.20223%0.234CC..Hα-helixtrans-60.1-46.5-178-58.70000111.5A221 V223 Q229A221-T225 WeakPolarHBondContact O-CB 3.41Å; A221-T225 PolarHBondContact O-N 3.38Å; A221-T225 PolarHBondContact O-OG1 2.91Å; V223-T225 PolarHBondContact O-N 3.43Å; T225-Q229 WeakPolarHBondContact O-CG 3.42Å; T225-Q229 PolarHBondContact O-N 3.43Å
226K98.4Very high98.3Very high152 Ų15242 Ų4266%0.66123%0.227SC*.Hα-helixtrans-64.9-42.2178.1-174.8179.9179.2-176.50111.8D222 V223 V224 Q229 S230D222-K226 WeakPolarHBondContact O-CB 3.32Å; D222-K226 PolarHBondContact O-N 3.16Å; V223-K226 PolarHBondContact O-N 3.4Å; V224-K226 PolarHBondContact O-N 2.86Å; K226-Q229 PolarHBondContact O-N 3.21Å; K226-S230 PolarHBondContact O-N 3.25Å; K226-S230 PolarHBondContact O-OG 3.48Å
227F98.7Very high98.4Very high16 Ų1641.2 Ų41.27%0.0722%0.22CC..Hα-helixtrans-64.3-47.2180-176.9-89000111.8L162 L168 L172 W175 V223 V224 Q229 S230 M231 I233 I236L162-F227 HydrophobicContact CD2-CE1 3.6Å; L162-F227 HydrophobicContact CD2-CZ 3.89Å; L168-F227 HydrophobicContact CD1-CB 3.83Å; L168-F227 HydrophobicContact CD1-CD1 4.13Å; L168-F227 HydrophobicContact CD1-CD2 4.38Å; L168-F227 HydrophobicContact CD1-CG 3.85Å; L168-F227 HydrophobicContact CD2-CD1 3.58Å; L168-F227 HydrophobicContact CD2-CD2 4.04Å; L168-F227 HydrophobicContact CD2-CE1 3.51Å; L168-F227 HydrophobicContact CD2-CE2 3.97Å; L168-F227 HydrophobicContact CD2-CG 3.84Å; L168-F227 HydrophobicContact CD2-CZ 3.7Å; L168-F227 HydrophobicContact CG-CG 4.49Å; L172-F227 HydrophobicContact CB-CE2 4.31Å; L172-F227 HydrophobicContact CD2-CE2 3.87Å; L172-F227 HydrophobicContact CD2-CZ 3.62Å; L172-F227 HydrophobicContact CG-CE2 3.97Å; L172-F227 HydrophobicContact CG-CZ 4.13Å; W175-F227 HydrophobicContact CH2-CE1 4.36Å; W175-F227 HydrophobicContact CH2-CZ 4.33Å; W175-F227 HydrophobicContact CZ3-CZ 4.43Å; V223-F227 VanDerWaalsContact O-CB 3.23Å; V223-F227 WeakPolarHBondContact O-CB 3.07Å; V223-F227 PolarHBondContact O-N 3.39Å; V224-F227 PolarHBondContact O-N 3.26Å; F227-Q229 VanDerWaalsContact C-N 3.27Å; F227-Q229 PolarHBondContact O-N 3.2Å; F227-S230 PolarHBondContact O-N 3.24Å; F227-S230 PolarHBondContact O-OG 3.28Å; F227-S230 VanDerWaalsContact O-OG 3.07Å; F227-M231 HydrophobicContact CD1-CG 4.05Å; F227-M231 HydrophobicContact CD2-CG 3.99Å; F227-M231 HydrophobicContact CE1-CB 4.23Å; F227-M231 HydrophobicContact CE1-CG 3.72Å; F227-M231 HydrophobicContact CE2-CG 3.66Å; F227-M231 HydrophobicContact CE2-SD 4.29Å; F227-M231 HydrophobicContact CG-CG 4.18Å; F227-M231 HydrophobicContact CZ-CB 4.44Å; F227-M231 HydrophobicContact CZ-CE 4.3Å; F227-M231 HydrophobicContact CZ-CG 3.53Å; F227-M231 HydrophobicContact CZ-SD 4.4Å; F227-M231 WeakPolarHBondContact O-CB 3Å; F227-M231 WeakPolarHBondContact O-CG 3.3Å; F227-M231 PolarHBondContact O-N 3.45Å; F227-I233 HydrophobicContact CD1-CD1 4.13Å; F227-I233 HydrophobicContact CE1-CD1 3.85Å; F227-I236 HydrophobicContact CD1-CD1 4.1Å
228C98.6Very high98.5Very high5 Ų538 Ų383%0.03421%0.206CC..Hα-helixtrans-57.4-41.5176.5-72.40000111.9V224 D232 I233V224-C228 WeakPolarHBondContact O-CB 3.4Å; V224-C228 PolarHBondContact O-N 3.39Å; V224-C228 PolarHBondContact O-SG 2.99Å; V224-C228 VanDerWaalsContact O-SG 3.38Å; C228-D232 WeakPolarHBondContact O-CA 3.41Å; C228-D232 PolarHBondContact O-N 3.12Å; C228-D232 VanDerWaalsContact O-N 3.1Å; C228-I233 HydrophobicContact CB-CG1 4.22Å; C228-I233 WeakPolarHBondContact CB-O 3.47Å; C228-I233 PolarHBondContact O-N 3.36Å
229Q98.1Very high98.5Very high136 Ų13637.3 Ų37.364%0.63620%0.201SC*.Hα-helixtrans-65.8-46.8175.3-71.4172.5-4.800112.5T225 K226 F227 M231 D232T225-Q229 WeakPolarHBondContact O-CG 3.42Å; T225-Q229 PolarHBondContact O-N 3.43Å; K226-Q229 PolarHBondContact O-N 3.21Å; F227-Q229 VanDerWaalsContact C-N 3.27Å; F227-Q229 PolarHBondContact O-N 3.2Å; Q229-M231 VanDerWaalsContact C-N 3.34Å; Q229-M231 PolarHBondContact O-N 3.13Å; Q229-D232 PolarHBondContact O-N 3.1Å
230S98Very high98.5Very high85 Ų8537.9 Ų37.959%0.59420%0.204SC*.Hα-helixtrans-70.1-31.8-176.262.50000113.3K226 F227K226-S230 PolarHBondContact O-N 3.25Å; K226-S230 PolarHBondContact O-OG 3.48Å; F227-S230 PolarHBondContact O-N 3.24Å; F227-S230 PolarHBondContact O-OG 3.28Å; F227-S230 VanDerWaalsContact O-OG 3.07Å
231M98.1Very high98.5Very high18 Ų1840.3 Ų40.39%0.08922%0.215CC..THydrogen-bonded Turntrans-95.3-0.1-178.3-58.2-62.5-72.200113.3K173 W175 F227 Q229 I233K173-M231 VanDerWaalsContact O-SD 3.33Å; W175-M231 HydrophobicContact CD2-CE 3.44Å; W175-M231 VanDerWaalsContact CD2-CE 3.44Å; W175-M231 HydrophobicContact CE3-CE 3.53Å; W175-M231 HydrophobicContact CG-CE 4.15Å; W175-M231 HydrophobicContact CH2-CB 4.04Å; W175-M231 HydrophobicContact CH2-CE 3.55Å; W175-M231 HydrophobicContact CH2-CG 4.36Å; W175-M231 HydrophobicContact CZ2-CB 3.71Å; W175-M231 HydrophobicContact CZ2-CE 3.48Å; W175-M231 VanDerWaalsContact CZ2-CE 3.48Å; W175-M231 HydrophobicContact CZ2-CG 4.36Å; W175-M231 HydrophobicContact CZ3-CE 3.57Å; F227-M231 HydrophobicContact CD1-CG 4.05Å; F227-M231 HydrophobicContact CD2-CG 3.99Å; F227-M231 HydrophobicContact CE1-CB 4.23Å; F227-M231 HydrophobicContact CE1-CG 3.72Å; F227-M231 HydrophobicContact CE2-CG 3.66Å; F227-M231 HydrophobicContact CE2-SD 4.29Å; F227-M231 HydrophobicContact CG-CG 4.18Å; F227-M231 HydrophobicContact CZ-CB 4.44Å; F227-M231 HydrophobicContact CZ-CE 4.3Å; F227-M231 HydrophobicContact CZ-CG 3.53Å; F227-M231 HydrophobicContact CZ-SD 4.4Å; F227-M231 WeakPolarHBondContact O-CB 3Å; F227-M231 WeakPolarHBondContact O-CG 3.3Å; F227-M231 PolarHBondContact O-N 3.45Å; Q229-M231 VanDerWaalsContact C-N 3.34Å; Q229-M231 PolarHBondContact O-N 3.13Å; M231-I233 HydrophobicContact CB-CG1 4.35Å; M231-I233 PolarHBondContact O-N 3.18Å
232D97.9Very high98.4Very high107 Ų10740.6 Ų40.657%0.57221%0.212SC*.THydrogen-bonded Turntrans51.751.7-177.3-169.930.4000113.6R160 C228 Q229R160-D232 IonicContact CZ-OD1 3.36Å; R160-D232 PolarHBondContact NH1-O 3.05Å; R160-D232 IonicContact NH1-OD1 3.81Å; R160-D232 PolarHBondContact NH1-OD1 3.39Å; R160-D232 IonicContact NH1-OD2 3.69Å; R160-D232 PolarHBondContact NH1-OD2 3.09Å; R160-D232 IonicContact NH2-OD1 3.5Å; C228-D232 WeakPolarHBondContact O-CA 3.41Å; C228-D232 PolarHBondContact O-N 3.12Å; C228-D232 VanDerWaalsContact O-N 3.1Å; Q229-D232 PolarHBondContact O-N 3.1Å
233I98.3Very high98.4Very high8 Ų837.9 Ų37.94%0.04120%0.198CC..  trans-122.5152.4176.161.3169.2000111.1L156 R160 L162 W175 F227 C228 M231 I236L156-I233 HydrophobicContact CD1-CG2 4.26Å; R160-I233 WeakPolarHBondContact O-CB 3.46Å; L162-I233 HydrophobicContact CB-CD1 3.62Å; L162-I233 HydrophobicContact CD2-CD1 4.41Å; W175-I233 HydrophobicContact CH2-CD1 4.41Å; W175-I233 HydrophobicContact CH2-CG2 4.29Å; W175-I233 HydrophobicContact CZ2-CG2 3.81Å; F227-I233 HydrophobicContact CD1-CD1 4.13Å; F227-I233 HydrophobicContact CE1-CD1 3.85Å; C228-I233 HydrophobicContact CB-CG1 4.22Å; C228-I233 WeakPolarHBondContact CB-O 3.47Å; C228-I233 PolarHBondContact O-N 3.36Å; M231-I233 HydrophobicContact CB-CG1 4.35Å; M231-I233 PolarHBondContact O-N 3.18Å; I233-I236 HydrophobicContact CD1-CG1 3.98Å
234D97.8Very high98.2Very high91 Ų9143.1 Ų43.149%0.48723%0.226SC..SBendtrans-92.5-31.3-178.2-61-47.4000112.6R160R160-D234 IonicContact CZ-OD1 3.31Å; R160-D234 IonicContact CZ-OD2 2.83Å; R160-D234 IonicContact NE-OD1 3.43Å; R160-D234 IonicContact NE-OD2 3.99Å; R160-D234 PolarHBondContact NE-OD2 3.16Å; R160-D234 VanDerWaalsContact NH2-CG 3.31Å; R160-D234 IonicContact NH2-OD1 3.27Å; R160-D234 PolarHBondContact NH2-OD1 3.01Å; R160-D234 IonicContact NH2-OD2 2.95Å; R160-D234 PolarHBondContact NH2-OD2 3.46Å; R160-D234 PolarHBondContact O-N 3.42Å
235L98.6Very high98.1Very high13 Ų1347.4 Ų47.47%0.06825%0.249CC..EExtended strand (participates in β ladder)trans-146.6143-170.6-177.664.7000111.7R160 I161 L162 K253 R254 V256 L275 V283R160-L235 PolarHBondContact O-N 3.11Å; I161-L235 CarbonylContact C-O 3.59Å; I161-L235 VanDerWaalsContact CA-O 3.28Å; I161-L235 WeakPolarHBondContact CA-O 3.41Å; I161-L235 HydrophobicContact CD1-CD2 4.39Å; I161-L235 HydrophobicContact CG1-CB 4.21Å; I161-L235 HydrophobicContact CG2-CB 4.07Å; I161-L235 HydrophobicContact CG2-CD2 4.12Å; I161-L235 HydrophobicContact CG2-CG 4.13Å; L162-L235 PolarHBondContact N-O 3.41Å; L235-K253 WeakPolarHBondContact CD1-O 3.32Å; L235-R254 CarbonylContact C-O 3.56Å; L235-R254 WeakPolarHBondContact CA-O 3.4Å; L235-V256 HydrophobicContact CD1-CB 4.33Å; L235-V256 HydrophobicContact CD1-CG1 4.05Å; L235-V256 HydrophobicContact CD2-CG1 4.11Å; L235-V256 HydrophobicContact CG-CG1 4.32Å; L235-L275 HydrophobicContact CD2-CD2 4.31Å; L235-V283 HydrophobicContact CD2-CG1 4.37Å; L235-V283 HydrophobicContact CD2-CG2 4.36Å
236I98.9Very high98.1Very high0 Ų045.8 Ų45.80%024%0.239CC..EExtended strand (participates in β ladder)trans-104.8123.3161.6-61.1166.5000107.6L162 M164 L168 V224 F227 I233 R254 L255 V256L162-I236 HydrophobicContact CB-CG1 4.47Å; L162-I236 CarbonylContact O-C 3.59Å; L162-I236 VanDerWaalsContact O-CA 3.32Å; L162-I236 WeakPolarHBondContact O-CA 3.46Å; M164-I236 HydrophobicContact SD-CG2 3.91Å; L168-I236 HydrophobicContact CD1-CD1 3.85Å; L168-I236 HydrophobicContact CD2-CD1 3.74Å; L168-I236 HydrophobicContact CG-CD1 3.99Å; V224-I236 HydrophobicContact CG1-CD1 4.1Å; F227-I236 HydrophobicContact CD1-CD1 4.1Å; I233-I236 HydrophobicContact CD1-CG1 3.98Å; I236-R254 PolarHBondContact N-O 3.41Å; I236-L255 HydrophobicContact CB-CB 4.23Å; I236-L255 HydrophobicContact CB-CD1 4.15Å; I236-L255 HydrophobicContact CB-CG 4.1Å; I236-L255 HydrophobicContact CD1-CD1 4.4Å; I236-L255 HydrophobicContact CG2-CD1 3.94Å; I236-L255 HydrophobicContact CG2-CG 4.16Å; I236-L255 CarbonylContact O-C 3.49Å; I236-L255 VanDerWaalsContact O-CA 3.28Å; I236-L255 WeakPolarHBondContact O-CA 3.34Å; I236-V256 PolarHBondContact O-N 3.01Å
237A98.8Very high98.1Very high0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-106117.1170.900000109.1I53 I161 L162 C163 M164 V256 L275I53-A237 HydrophobicContact CD1-CB 4.43Å; I53-A237 HydrophobicContact CG2-CB 4.48Å; I161-A237 HydrophobicContact CG2-CB 4.11Å; L162-A237 PolarHBondContact O-N 3.12Å; C163-A237 VanDerWaalsContact CA-O 3.26Å; C163-A237 WeakPolarHBondContact CA-O 3.49Å; M164-A237 PolarHBondContact N-O 2.97Å; M164-A237 VanDerWaalsContact N-O 3.14Å; A237-V256 HydrophobicContact CB-CG1 4.08Å; A237-L275 HydrophobicContact CB-CD2 3.93Å
238R98.9Very high98Very high0 Ų046.6 Ų46.60%024%0.242CC..EExtended strand (participates in β ladder)trans-131.5171-178.672.684.454.8157.114.4112.6M164 H165 G166 A199 D200 H240 Q241 L255 V256 T257 I258M164-R238 HydrophobicContact CG-CB 4.37Å; M164-R238 VanDerWaalsContact O-CA 3.29Å; M164-R238 WeakPolarHBondContact O-CA 3.34Å; H165-R238 PolarHBondContact O-NE 3.3Å; G166-R238 VanDerWaalsContact CA-NH2 3.31Å; G166-R238 VanDerWaalsContact O-CB 3.32Å; G166-R238 WeakPolarHBondContact O-CB 3.37Å; G166-R238 PolarHBondContact O-NE 3.26Å; G166-R238 PolarHBondContact O-NH2 2.97Å; A199-R238 PolarHBondContact O-NH2 3.03Å; D200-R238 IonicContact OD1-CZ 3.18Å; D200-R238 VanDerWaalsContact OD1-CZ 3.27Å; D200-R238 IonicContact OD1-NH1 3.48Å; D200-R238 PolarHBondContact OD1-NH1 3.24Å; D200-R238 IonicContact OD1-NH2 3.67Å; D200-R238 PolarHBondContact OD1-NH2 3.09Å; R238-H240 PolarHBondContact NH2-CD2 3.12Å; R238-Q241 VanDerWaalsContact NH1-CG 3.29Å; R238-L255 HydrophobicContact CG-CD1 4.3Å; R238-L255 HydrophobicContact CG-CD2 3.98Å; R238-L255 HydrophobicContact CG-CG 4.25Å; R238-V256 PolarHBondContact N-O 3.43Å; R238-T257 VanDerWaalsContact CD-OG1 3.3Å; R238-T257 WeakPolarHBondContact CD-OG1 3.49Å; R238-T257 CarbonylContact O-C 3.58Å; R238-T257 VanDerWaalsContact O-CA 3.31Å; R238-T257 WeakPolarHBondContact O-CA 3.48Å; R238-I258 PolarHBondContact O-N 3.08Å
239A98.9Very high98Very high0 Ų050.2 Ų50.20%026%0.258CS..  trans-126.5-126.6-177.200000112D56 L82 H165 Q241 I258D56-A239 WeakPolarHBondContact OD1-CB 2.98Å; L82-A239 HydrophobicContact CB-CB 3.84Å; L82-A239 HydrophobicContact CD1-CB 3.96Å; H165-A239 CarbonylContact O-C 3.39Å; H165-A239 PolarHBondContact O-N 3.36Å; A239-Q241 PolarHBondContact O-N 3.22Å; A239-I258 VanDerWaalsContact CA-O 3.27Å; A239-I258 WeakPolarHBondContact CA-O 3.4Å; A239-I258 WeakPolarHBondContact CB-O 3.31Å
240H98.6Very high98Very high13 Ų1344.7 Ų44.76%0.0623%0.232CC..SBendtrans66.7-25.6163.5-169.862.1000118.5D56 N116 H165 D200 R213 R238D56-H240 PolarHBondContact OD1-N 3.13Å; D56-H240 VanDerWaalsContact OD2-CA 3.29Å; D56-H240 WeakPolarHBondContact OD2-CA 3.44Å; D56-H240 PolarHBondContact OD2-N 2.91Å; N116-H240 VanDerWaalsContact CG-CE1 3.49Å; N116-H240 PolarHBondContact OD1-CE1 2.96Å; N116-H240 VanDerWaalsContact OD1-CE1 3.23Å; N116-H240 PolarHBondContact OD1-ND1 2.83Å; H165-H240 AromaticContact CD2-CG 3.93Å; H165-H240 AromaticContact CD2-ND1 3.61Å; H165-H240 WeakPolarHBondContact NE2-CB 3.46Å; H165-H240 AromaticContact NE2-CG 3.55Å; H165-H240 AromaticContact NE2-ND1 3.06Å; H165-H240 PolarHBondContact NE2-ND1 2.88Å; H165-H240 WeakPolarHBondContact O-CB 3.2Å; D200-H240 IonicContact OD1-CD2 3.78Å; D200-H240 PolarHBondContact OD1-CD2 3.45Å; R213-H240 VanDerWaalsContact CZ-NE2 3.29Å; R213-H240 PolarHBondContact NE-NE2 3.23Å; R238-H240 PolarHBondContact NH2-CD2 3.12Å
241Q98.1Very high98Very high50 Ų5041.1 Ų41.123%0.23421%0.208CC..SBendtrans-112.7125.6177.1-81.3173.2-41.400110.2D200 R238 A239 V243 T257 F259D200-Q241 VanDerWaalsContact CG-CD 3.43Å; D200-Q241 VanDerWaalsContact OD1-CG 3.25Å; D200-Q241 WeakPolarHBondContact OD1-CG 3.43Å; D200-Q241 PolarHBondContact OD1-NE2 3.45Å; D200-Q241 PolarHBondContact OD1-OE1 3.34Å; D200-Q241 PolarHBondContact OD2-NE2 3.11Å; R238-Q241 VanDerWaalsContact NH1-CG 3.29Å; A239-Q241 PolarHBondContact O-N 3.22Å; Q241-V243 PolarHBondContact O-N 3.02Å; Q241-T257 HydrophobicContact CB-CG2 4.15Å; Q241-T257 WeakPolarHBondContact O-CG2 3.46Å; Q241-F259 WeakPolarHBondContact O-CD2 3.46Å
242V97.5Very high98Very high46 Ų4646.9 Ų46.928%0.27924%0.238SC..  trans-61.8123.1170.4-171.40000108.6F259 Y264 F268 N270V242-F259 HydrophobicContact CB-CE2 4.33Å; V242-F259 HydrophobicContact CB-CZ 4.35Å; V242-F259 HydrophobicContact CG1-CD1 4.37Å; V242-F259 HydrophobicContact CG1-CE1 4.23Å; V242-F259 HydrophobicContact CG2-CD2 4.4Å; V242-F259 HydrophobicContact CG2-CE1 4.12Å; V242-F259 HydrophobicContact CG2-CE2 3.72Å; V242-F259 HydrophobicContact CG2-CZ 3.59Å; V242-Y264 HydrophobicContact CG2-CD1 3.51Å; V242-Y264 HydrophobicContact CG2-CE1 3.81Å; V242-Y264 HydrophobicContact CG2-CG 4.29Å; V242-F268 HydrophobicContact CB-CD1 4.49Å; V242-F268 HydrophobicContact CB-CE1 4.34Å; V242-F268 HydrophobicContact CG1-CD1 3.78Å; V242-F268 HydrophobicContact CG1-CE1 4.12Å; V242-F268 HydrophobicContact CG1-CG 4.11Å; V242-F268 HydrophobicContact CG2-CZ 4.48Å; V242-N270 HydrophobicContact CG1-CB 4.13Å
243V97.2Very high98Very high7 Ų749 Ų494%0.04224%0.242CC..  trans-124.4134.2177.3-72.40000109.7Q241 N245 G246 E248 T257 F259Q241-V243 PolarHBondContact O-N 3.02Å; V243-N245 PolarHBondContact O-N 2.93Å; V243-N245 VanDerWaalsContact O-N 3.07Å; V243-G246 PolarHBondContact O-N 3.47Å; V243-E248 HydrophobicContact CB-CB 4.06Å; V243-E248 HydrophobicContact CG1-CB 3.66Å; V243-T257 HydrophobicContact CG1-CG2 3.8Å; V243-T257 HydrophobicContact CG2-CG2 4.16Å; V243-F259 HydrophobicContact CG2-CB 3.91Å
244N95.6Very high98Very high125 Ų12552.3 Ų52.367%0.66826%0.255SS*.THydrogen-bonded Turntrans-53.3-39.3-168.3-75.3-18.8000113.8G246 N270 S271N244-G246 VanDerWaalsContact C-N 3.33Å; N244-N270 CarbonylContact O-C 3.13Å; N244-N270 VanDerWaalsContact O-CA 3.25Å; N244-N270 WeakPolarHBondContact O-CA 3.46Å; N244-S271 PolarHBondContact O-N 3.39Å
245N96.6Very high98Very high90 Ų9048 Ų4848%0.48123%0.232SC..THydrogen-bonded Turntrans-914.5-176-80.5-36.3000113.4V243 Y247 Q287V243-N245 PolarHBondContact O-N 2.93Å; V243-N245 VanDerWaalsContact O-N 3.07Å; N245-Y247 HydrophobicContact CB-CD1 4.32Å; N245-Y247 HydrophobicContact CB-CE1 4.3Å; N245-Y247 WeakPolarHBondContact O-CD1 3.46Å; N245-Y247 PolarHBondContact O-N 3.26Å; N245-Q287 VanDerWaalsContact CB-NE2 3.29Å; N245-Q287 PolarHBondContact O-NE2 3.48Å
246G97.8Very high98Very high0 Ų047.4 Ų47.40%023%0.228CC..SBendtrans73.1-6-169.800000113.8V243 N244 F259 S271 G273V243-G246 PolarHBondContact O-N 3.47Å; N244-G246 VanDerWaalsContact C-N 3.33Å; G246-F259 PolarHBondContact O-N 2.93Å; G246-S271 WeakPolarHBondContact CA-O 3.34Å; G246-S271 PolarHBondContact N-O 3.46Å; G246-G273 WeakPolarHBondContact O-CA 3.41Å; G246-G273 PolarHBondContact O-N 2.62Å
247Y98.3Very high98Very high71 Ų7147.5 Ų47.528%0.27823%0.229SC..EExtended strand (participates in β ladder)trans-149.1156.9168.373.5-80.1000111.5N245 F249 T257 V285 Q287N245-Y247 HydrophobicContact CB-CD1 4.32Å; N245-Y247 HydrophobicContact CB-CE1 4.3Å; N245-Y247 WeakPolarHBondContact O-CD1 3.46Å; N245-Y247 PolarHBondContact O-N 3.26Å; Y247-F249 HydrophobicContact CD2-CD2 4.16Å; Y247-F249 HydrophobicContact CD2-CE2 4.04Å; Y247-F249 HydrophobicContact CE2-CD2 4.04Å; Y247-F249 AromaticContact CE2-CE2 3.88Å; Y247-F249 HydrophobicContact CE2-CE2 3.88Å; Y247-T257 CarbonylContact C-O 3.51Å; Y247-T257 WeakPolarHBondContact CA-O 3.43Å; Y247-T257 WeakPolarHBondContact CB-O 3.42Å; Y247-V285 HydrophobicContact CD1-CB 4.19Å; Y247-V285 HydrophobicContact CD1-CG1 3.42Å; Y247-V285 VanDerWaalsContact CD1-CG1 3.42Å; Y247-V285 HydrophobicContact CD2-CB 4.37Å; Y247-V285 HydrophobicContact CD2-CG1 4.2Å; Y247-V285 HydrophobicContact CD2-CG2 4.04Å; Y247-V285 HydrophobicContact CE1-CB 4.33Å; Y247-V285 HydrophobicContact CE1-CG1 3.97Å; Y247-V285 HydrophobicContact CE2-CG2 4.39Å; Y247-V285 HydrophobicContact CG-CB 4.2Å; Y247-V285 HydrophobicContact CG-CG1 3.55Å; Y247-V285 HydrophobicContact CG-CG2 4.2Å; Y247-Q287 HydrophobicContact CD1-CG 4.11Å; Y247-Q287 HydrophobicContact CE1-CG 3.81Å; Y247-Q287 VanDerWaalsContact CE1-NE2 3.35Å
248E98.1Very high98Very high113 Ų11347.5 Ų47.553%0.52823%0.229SC..EExtended strand (participates in β ladder)trans-149.2134.4172.1-171.4165.387.400110.9V243 V256 T257V243-E248 HydrophobicContact CB-CB 4.06Å; V243-E248 HydrophobicContact CG1-CB 3.66Å; E248-V256 CarbonylContact O-C 3.54Å; E248-V256 WeakPolarHBondContact O-CA 3.39Å; E248-T257 PolarHBondContact N-O 3.43Å; E248-T257 PolarHBondContact O-N 2.93Å
249F98.1Very high98Very high81 Ų8147.6 Ų47.636%0.35523%0.229SC..EExtended strand (participates in β ladder)trans-93.8146.1175.5-77.6-74.2000111.3Y247 K253 L255 V256 V285Y247-F249 HydrophobicContact CD2-CD2 4.16Å; Y247-F249 HydrophobicContact CD2-CE2 4.04Å; Y247-F249 HydrophobicContact CE2-CD2 4.04Å; Y247-F249 AromaticContact CE2-CE2 3.88Å; Y247-F249 HydrophobicContact CE2-CE2 3.88Å; F249-K253 HydrophobicContact CB-CB 4.44Å; F249-K253 HydrophobicContact CB-CG 4.09Å; F249-K253 HydrophobicContact CD1-CB 3.76Å; F249-K253 HydrophobicContact CD1-CG 4.1Å; F249-K253 HydrophobicContact CE1-CB 4.25Å; F249-K253 HydrophobicContact CG-CB 4.21Å; F249-K253 HydrophobicContact CG-CG 4.04Å; F249-L255 CarbonylContact C-O 3.21Å; F249-L255 WeakPolarHBondContact CA-O 3.48Å; F249-V256 HydrophobicContact CD1-CB 3.84Å; F249-V256 HydrophobicContact CD1-CG2 4.02Å; F249-V256 HydrophobicContact CE1-CB 3.8Å; F249-V256 HydrophobicContact CE1-CG2 3.9Å; F249-V256 HydrophobicContact CG-CG2 4.46Å; F249-V256 HydrophobicContact CZ-CG2 4.23Å; F249-V285 HydrophobicContact CZ-CG2 4.37Å
250F98.4Very high98Very high21 Ų2147.7 Ų47.79%0.09223%0.23CC..EExtended strand (participates in β ladder)trans-138.1161.3179.8179.8-104.9000111P201 T203 A221 V224 D252 K253 R254 L255P201-F250 HydrophobicContact CB-CD1 3.78Å; P201-F250 HydrophobicContact CB-CD2 4.41Å; P201-F250 HydrophobicContact CB-CE1 3.77Å; P201-F250 HydrophobicContact CB-CE2 4.4Å; P201-F250 HydrophobicContact CB-CG 4.1Å; P201-F250 HydrophobicContact CB-CZ 4.08Å; T203-F250 HydrophobicContact CG2-CD2 3.83Å; T203-F250 HydrophobicContact CG2-CE2 3.61Å; A221-F250 HydrophobicContact CB-CE1 4.04Å; A221-F250 HydrophobicContact CB-CE2 4.32Å; A221-F250 HydrophobicContact CB-CZ 3.77Å; A221-F250 VanDerWaalsContact N-CZ 3.31Å; V224-F250 HydrophobicContact CG2-CD1 4Å; V224-F250 HydrophobicContact CG2-CE1 3.78Å; F250-D252 PolarHBondContact O-N 3.49Å; F250-K253 WeakPolarHBondContact O-CA 3.36Å; F250-K253 PolarHBondContact O-N 3.02Å; F250-R254 PolarHBondContact O-N 3.16Å; F250-L255 HydrophobicContact CB-CB 4.22Å; F250-L255 HydrophobicContact CB-CD2 3.91Å; F250-L255 HydrophobicContact CD1-CB 4.24Å; F250-L255 HydrophobicContact CD1-CD2 4.46Å; F250-L255 PolarHBondContact N-O 3.27Å; F250-L255 PolarHBondContact O-N 3.22Å; F250-L255 VanDerWaalsContact O-N 3.16Å
251A98.2Very high97.9Very high10 Ų1047 Ų478%0.08323%0.227CC..THydrogen-bonded Turntrans48.759.7175.700000114.2A221 V224 K253 R254A221-A251 HydrophobicContact CB-CB 3.82Å; V224-A251 HydrophobicContact CB-CB 3.67Å; V224-A251 HydrophobicContact CG1-CB 3.58Å; V224-A251 HydrophobicContact CG2-CB 4.31Å; A251-K253 VanDerWaalsContact C-N 3.26Å; A251-K253 PolarHBondContact O-N 3.39Å; A251-R254 VanDerWaalsContact O-CB 3.28Å; A251-R254 WeakPolarHBondContact O-CB 3.35Å; A251-R254 WeakPolarHBondContact O-CG 3.41Å; A251-R254 PolarHBondContact O-N 3.09Å; A251-R254 VanDerWaalsContact O-N 3.09Å
252D97.2Very high97.9Very high138 Ų13844.8 Ų44.874%0.73822%0.217SC*.THydrogen-bonded Turntrans52.941.8-174.9-54.3-40.4000113.3F250 R254F250-D252 PolarHBondContact O-N 3.49Å; D252-R254 PolarHBondContact O-N 2.83Å; D252-R254 IonicContact OD2-NH1 3.48Å; D252-R254 PolarHBondContact OD2-NH1 3.13Å
253K97.5Very high97.8Very high151 Ų15144.4 Ų44.466%0.65721%0.213SC*.THydrogen-bonded Turntrans65.418.8-178.7-49.8178.1-179.8177.30114.9L235 F249 F250 A251 L255L235-K253 WeakPolarHBondContact CD1-O 3.32Å; F249-K253 HydrophobicContact CB-CB 4.44Å; F249-K253 HydrophobicContact CB-CG 4.09Å; F249-K253 HydrophobicContact CD1-CB 3.76Å; F249-K253 HydrophobicContact CD1-CG 4.1Å; F249-K253 HydrophobicContact CE1-CB 4.25Å; F249-K253 HydrophobicContact CG-CB 4.21Å; F249-K253 HydrophobicContact CG-CG 4.04Å; F250-K253 WeakPolarHBondContact O-CA 3.36Å; F250-K253 PolarHBondContact O-N 3.02Å; A251-K253 VanDerWaalsContact C-N 3.26Å; A251-K253 PolarHBondContact O-N 3.39Å; K253-L255 VanDerWaalsContact C-N 3.33Å
254R98.3Very high97.6Very high79 Ų7945 Ų4530%0.29822%0.215SC..THydrogen-bonded Turntrans-81.9-11.4171.8-66.6-177.6178.386.74.7113.6V224 L235 I236 F250 A251 D252V224-R254 HydrophobicContact CG1-CB 3.84Å; L235-R254 CarbonylContact C-O 3.56Å; L235-R254 WeakPolarHBondContact CA-O 3.4Å; I236-R254 PolarHBondContact N-O 3.41Å; F250-R254 PolarHBondContact O-N 3.16Å; A251-R254 VanDerWaalsContact O-CB 3.28Å; A251-R254 WeakPolarHBondContact O-CB 3.35Å; A251-R254 WeakPolarHBondContact O-CG 3.41Å; A251-R254 PolarHBondContact O-N 3.09Å; A251-R254 VanDerWaalsContact O-N 3.09Å; D252-R254 PolarHBondContact O-N 2.83Å; D252-R254 IonicContact OD2-NH1 3.48Å; D252-R254 PolarHBondContact OD2-NH1 3.13Å
255L98.8Very high97.4Very high0 Ų041.5 Ų41.50%020%0.2CC..EExtended strand (participates in β ladder)trans-129.9141.6168.8-178.1151.9000109.5P201 F219 V224 I236 R238 F249 F250 K253P201-L255 HydrophobicContact CB-CD1 4.48Å; P201-L255 HydrophobicContact CB-CD2 4.44Å; P201-L255 HydrophobicContact CG-CD2 4.08Å; F219-L255 HydrophobicContact CE2-CD1 3.84Å; F219-L255 HydrophobicContact CZ-CD1 4.12Å; V224-L255 HydrophobicContact CG1-CB 4.08Å; V224-L255 HydrophobicContact CG2-CD1 4.03Å; I236-L255 HydrophobicContact CB-CB 4.23Å; I236-L255 HydrophobicContact CB-CD1 4.15Å; I236-L255 HydrophobicContact CB-CG 4.1Å; I236-L255 HydrophobicContact CD1-CD1 4.4Å; I236-L255 HydrophobicContact CG2-CD1 3.94Å; I236-L255 HydrophobicContact CG2-CG 4.16Å; I236-L255 CarbonylContact O-C 3.49Å; I236-L255 VanDerWaalsContact O-CA 3.28Å; I236-L255 WeakPolarHBondContact O-CA 3.34Å; R238-L255 HydrophobicContact CG-CD1 4.3Å; R238-L255 HydrophobicContact CG-CD2 3.98Å; R238-L255 HydrophobicContact CG-CG 4.25Å; F249-L255 CarbonylContact C-O 3.21Å; F249-L255 WeakPolarHBondContact CA-O 3.48Å; F250-L255 HydrophobicContact CB-CB 4.22Å; F250-L255 HydrophobicContact CB-CD2 3.91Å; F250-L255 HydrophobicContact CD1-CB 4.24Å; F250-L255 HydrophobicContact CD1-CD2 4.46Å; F250-L255 PolarHBondContact N-O 3.27Å; F250-L255 PolarHBondContact O-N 3.22Å; F250-L255 VanDerWaalsContact O-N 3.16Å; K253-L255 VanDerWaalsContact C-N 3.33Å
256V98.7Very high96.9Very high0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-128.1126.6169.866.80000109.9L235 I236 A237 R238 E248 F249 I258 L275L235-V256 HydrophobicContact CD1-CB 4.33Å; L235-V256 HydrophobicContact CD1-CG1 4.05Å; L235-V256 HydrophobicContact CD2-CG1 4.11Å; L235-V256 HydrophobicContact CG-CG1 4.32Å; I236-V256 PolarHBondContact O-N 3.01Å; A237-V256 HydrophobicContact CB-CG1 4.08Å; R238-V256 PolarHBondContact N-O 3.43Å; E248-V256 CarbonylContact O-C 3.54Å; E248-V256 WeakPolarHBondContact O-CA 3.39Å; F249-V256 HydrophobicContact CD1-CB 3.84Å; F249-V256 HydrophobicContact CD1-CG2 4.02Å; F249-V256 HydrophobicContact CE1-CB 3.8Å; F249-V256 HydrophobicContact CE1-CG2 3.9Å; F249-V256 HydrophobicContact CG-CG2 4.46Å; F249-V256 HydrophobicContact CZ-CG2 4.23Å; V256-I258 HydrophobicContact CG1-CD1 4.31Å; V256-I258 HydrophobicContact CG1-CG1 4.36Å; V256-I258 HydrophobicContact CG2-CD1 3.63Å; V256-I258 HydrophobicContact CG2-CG1 4.34Å; V256-L275 HydrophobicContact CG1-CD1 4.42Å; V256-L275 HydrophobicContact CG1-CD2 3.92Å
257T98.8Very high96.5Very high2 Ų247.6 Ų47.61%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-86130.2165.4-61.40000108R238 Q241 V243 Y247 E248R238-T257 VanDerWaalsContact CD-OG1 3.3Å; R238-T257 WeakPolarHBondContact CD-OG1 3.49Å; R238-T257 CarbonylContact O-C 3.58Å; R238-T257 VanDerWaalsContact O-CA 3.31Å; R238-T257 WeakPolarHBondContact O-CA 3.48Å; Q241-T257 HydrophobicContact CB-CG2 4.15Å; Q241-T257 WeakPolarHBondContact O-CG2 3.46Å; V243-T257 HydrophobicContact CG1-CG2 3.8Å; V243-T257 HydrophobicContact CG2-CG2 4.16Å; Y247-T257 CarbonylContact C-O 3.51Å; Y247-T257 WeakPolarHBondContact CA-O 3.43Å; Y247-T257 WeakPolarHBondContact CB-O 3.42Å; E248-T257 PolarHBondContact N-O 3.43Å; E248-T257 PolarHBondContact O-N 2.93Å
258I98.7Very high96.2Very high0 Ų048 Ų480%024%0.244CC..EExtended strand (participates in β ladder)trans-120.8128.8175.7-54.9-63.8000108.2G55 R238 A239 V256 G273 L275G55-I258 WeakPolarHBondContact CA-O 3.34Å; R238-I258 PolarHBondContact O-N 3.08Å; A239-I258 VanDerWaalsContact CA-O 3.27Å; A239-I258 WeakPolarHBondContact CA-O 3.4Å; A239-I258 WeakPolarHBondContact CB-O 3.31Å; V256-I258 HydrophobicContact CG1-CD1 4.31Å; V256-I258 HydrophobicContact CG1-CG1 4.36Å; V256-I258 HydrophobicContact CG2-CD1 3.63Å; V256-I258 HydrophobicContact CG2-CG1 4.34Å; I258-G273 WeakPolarHBondContact CG2-O 3.48Å; I258-L275 HydrophobicContact CD1-CB 3.91Å; I258-L275 HydrophobicContact CD1-CD1 4.3Å; I258-L275 HydrophobicContact CG1-CB 4.12Å
259F98.7Very high95.9Very high2 Ų248.4 Ų48.41%0.00926%0.258CS..BIsolated β-bridgetrans-128.4120.6177.5-164.1-91.7000109D56 Q241 V242 V243 G246 A261 Y264 A272 G273D56-F259 HydrophobicContact CB-CD2 3.89Å; D56-F259 HydrophobicContact CB-CE2 3.59Å; D56-F259 HydrophobicContact CB-CZ 4.06Å; D56-F259 WeakPolarHBondContact OD2-CE2 3.47Å; Q241-F259 WeakPolarHBondContact O-CD2 3.46Å; V242-F259 HydrophobicContact CB-CE2 4.33Å; V242-F259 HydrophobicContact CB-CZ 4.35Å; V242-F259 HydrophobicContact CG1-CD1 4.37Å; V242-F259 HydrophobicContact CG1-CE1 4.23Å; V242-F259 HydrophobicContact CG2-CD2 4.4Å; V242-F259 HydrophobicContact CG2-CE1 4.12Å; V242-F259 HydrophobicContact CG2-CE2 3.72Å; V242-F259 HydrophobicContact CG2-CZ 3.59Å; V243-F259 HydrophobicContact CG2-CB 3.91Å; G246-F259 PolarHBondContact O-N 2.93Å; F259-A261 HydrophobicContact CD1-CB 4.33Å; F259-A261 WeakPolarHBondContact CD1-O 3.47Å; F259-A261 HydrophobicContact CE1-CB 3.68Å; F259-A261 WeakPolarHBondContact CE1-O 3.28Å; F259-A261 HydrophobicContact CZ-CB 4.27Å; F259-Y264 HydrophobicContact CE1-CD2 4.1Å; F259-Y264 AromaticContact CE1-CG 3.95Å; F259-Y264 HydrophobicContact CE1-CG 3.95Å; F259-Y264 HydrophobicContact CZ-CD1 4.16Å; F259-Y264 AromaticContact CZ-CD2 3.86Å; F259-Y264 HydrophobicContact CZ-CD2 3.86Å; F259-Y264 HydrophobicContact CZ-CE1 4.41Å; F259-Y264 HydrophobicContact CZ-CE2 4.13Å; F259-Y264 AromaticContact CZ-CG 3.86Å; F259-Y264 HydrophobicContact CZ-CG 3.86Å; F259-A272 CarbonylContact O-C 3.46Å; F259-A272 VanDerWaalsContact O-CA 3.3Å; F259-A272 WeakPolarHBondContact O-CA 3.44Å; F259-G273 PolarHBondContact O-N 3Å
260S98.7Very high95.8Very high2 Ų244.5 Ų44.51%0.01424%0.241CC..  trans-107.76-166.6-61.30000114.6G55 D56 P262 A272 G273G55-S260 PolarHBondContact N-OG 3.24Å; D56-S260 CarbonylContact O-C 3.59Å; D56-S260 VanDerWaalsContact O-CA 3.25Å; D56-S260 WeakPolarHBondContact O-CA 3.49Å; D56-S260 WeakPolarHBondContact O-CB 3.3Å; D56-S260 PolarHBondContact O-N 3.39Å; D56-S260 VanDerWaalsContact O-N 3.09Å; S260-P262 WeakPolarHBondContact O-CD 3.46Å; S260-A272 VanDerWaalsContact O-CB 3.3Å; S260-A272 WeakPolarHBondContact O-CB 3.43Å; S260-G273 PolarHBondContact OG-O 3.14Å
261A97.7Very high95.8Very high0 Ų044.1 Ų44.10%024%0.241CC..  trans-101.5103.3172.400000110.6D56 F259 Y264 N270D56-A261 PolarHBondContact O-N 3.14Å; F259-A261 HydrophobicContact CD1-CB 4.33Å; F259-A261 WeakPolarHBondContact CD1-O 3.47Å; F259-A261 HydrophobicContact CE1-CB 3.68Å; F259-A261 WeakPolarHBondContact CE1-O 3.28Å; F259-A261 HydrophobicContact CZ-CB 4.27Å; A261-Y264 HydrophobicContact CB-CD2 4.21Å; A261-N270 PolarHBondContact O-ND2 3.41Å
262P96.8Very high95.8Very high3 Ų343.7 Ų43.72%0.01924%0.237CC..THydrogen-bonded Turntrans-76.4154.9177.933.2-31.6000110.5Q60 D63 S260 Y264 N270 A272 P290Q60-P262 PolarHBondContact NE2-O 3Å; D63-P262 HydrophobicContact CB-CG 4.01Å; D63-P262 VanDerWaalsContact CG-CG 3.49Å; D63-P262 WeakPolarHBondContact OD1-CG 3.3Å; S260-P262 WeakPolarHBondContact O-CD 3.46Å; P262-Y264 PolarHBondContact O-N 2.91Å; P262-N270 WeakPolarHBondContact CA-O 3.44Å; P262-A272 HydrophobicContact CB-CB 3.92Å; P262-A272 HydrophobicContact CG-CB 4.04Å; P262-P290 HydrophobicContact CB-CG 4.2Å
263N95.3Very high95.8Very high38 Ų3837.1 Ų37.120%0.20320%0.202CC..THydrogen-bonded Turntrans50.145.2-178.9-168.754.4000112.4C265 G266 F268 N270 P290N263-C265 PolarHBondContact O-N 3.3Å; N263-G266 PolarHBondContact O-N 3.37Å; N263-F268 CarbonylContact C-O 3.56Å; N263-F268 VanDerWaalsContact CA-O 3.24Å; N263-F268 WeakPolarHBondContact CA-O 3.38Å; N263-F268 PolarHBondContact OD1-O 2.94Å; N263-N270 PolarHBondContact N-O 3.03Å; N263-N270 PolarHBondContact N-OD1 3.1Å; N263-P290 HydrophobicContact CB-CB 3.92Å; N263-P290 HydrophobicContact CB-CG 3.94Å
264Y94.3Very high95.8Very high18 Ų1829.9 Ų29.97%0.07117%0.171CC..G310 helixtrans-53.7130.1-166.6178.5-122.8000111.7H58 R88 V242 F259 A261 P262 G266 E267 F268 N270H58-Y264 HydrophobicContact CB-CE2 3.85Å; H58-Y264 AromaticContact CD2-CE2 3.27Å; H58-Y264 WeakPolarHBondContact CD2-CE2 3.39Å; H58-Y264 AromaticContact CD2-CZ 3.65Å; H58-Y264 PolarHBondContact CD2-OH 2.74Å; H58-Y264 AromaticContact CG-CE2 3.78Å; H58-Y264 AromaticContact NE2-CZ 3.96Å; H58-Y264 PolarHBondContact NE2-OH 3.24Å; R88-Y264 HydrophobicContact CB-CE2 4.32Å; R88-Y264 HydrophobicContact CG-CE2 4.45Å; R88-Y264 WeakPolarHBondContact CG-OH 3.46Å; V242-Y264 HydrophobicContact CG2-CD1 3.51Å; V242-Y264 HydrophobicContact CG2-CE1 3.81Å; V242-Y264 HydrophobicContact CG2-CG 4.29Å; F259-Y264 HydrophobicContact CE1-CD2 4.1Å; F259-Y264 AromaticContact CE1-CG 3.95Å; F259-Y264 HydrophobicContact CE1-CG 3.95Å; F259-Y264 HydrophobicContact CZ-CD1 4.16Å; F259-Y264 AromaticContact CZ-CD2 3.86Å; F259-Y264 HydrophobicContact CZ-CD2 3.86Å; F259-Y264 HydrophobicContact CZ-CE1 4.41Å; F259-Y264 HydrophobicContact CZ-CE2 4.13Å; F259-Y264 AromaticContact CZ-CG 3.86Å; F259-Y264 HydrophobicContact CZ-CG 3.86Å; A261-Y264 HydrophobicContact CB-CD2 4.21Å; P262-Y264 PolarHBondContact O-N 2.91Å; Y264-G266 PolarHBondContact O-N 2.92Å; Y264-E267 PolarHBondContact O-N 2.96Å; Y264-F268 AromaticContact CD1-CD2 3.71Å; Y264-F268 HydrophobicContact CD1-CD2 3.71Å; Y264-F268 AromaticContact CD1-CE2 3.76Å; Y264-F268 HydrophobicContact CD1-CE2 3.76Å; Y264-F268 HydrophobicContact CE1-CE2 4.36Å; Y264-F268 HydrophobicContact CG-CD2 4.36Å; Y264-F268 WeakPolarHBondContact O-CD2 3.18Å; Y264-F268 PolarHBondContact O-N 3.39Å; Y264-N270 WeakPolarHBondContact CB-OD1 3.38Å; Y264-N270 PolarHBondContact N-OD1 3.4Å
265C90Very high95.9Very high52 Ų5226.1 Ų26.135%0.35116%0.157SC..G310 helixtrans54.99-176.6-650000116N263 E267N263-C265 PolarHBondContact O-N 3.3Å; C265-E267 HydrophobicContact CB-CB 4.44Å; C265-E267 HydrophobicContact CB-CG 4.23Å; C265-E267 PolarHBondContact O-N 3.46Å
266G87.2Confident95.9Very high58 Ų5828.7 Ų28.760%0.59817%0.168SC*.G310 helixtrans67.19.7-16800000114.1N263 Y264N263-G266 PolarHBondContact O-N 3.37Å; Y264-G266 PolarHBondContact O-N 2.92Å
267E88.6Confident95.8Very high160 Ų16028.8 Ų28.875%0.74817%0.169SC*.THydrogen-bonded Turntrans-105.7-22.1-178-65.9-178.8178.700112.2Y264 C265Y264-E267 PolarHBondContact O-N 2.96Å; C265-E267 HydrophobicContact CB-CB 4.44Å; C265-E267 HydrophobicContact CB-CG 4.23Å; C265-E267 PolarHBondContact O-N 3.46Å
268F91.5Very high95.8Very high79 Ų7928.9 Ų28.935%0.34617%0.171SC..  trans-110.2152.6-179.4-66.1-99.1000110.7V242 N263 Y264 N270V242-F268 HydrophobicContact CB-CD1 4.49Å; V242-F268 HydrophobicContact CB-CE1 4.34Å; V242-F268 HydrophobicContact CG1-CD1 3.78Å; V242-F268 HydrophobicContact CG1-CE1 4.12Å; V242-F268 HydrophobicContact CG1-CG 4.11Å; V242-F268 HydrophobicContact CG2-CZ 4.48Å; N263-F268 CarbonylContact C-O 3.56Å; N263-F268 VanDerWaalsContact CA-O 3.24Å; N263-F268 WeakPolarHBondContact CA-O 3.38Å; N263-F268 PolarHBondContact OD1-O 2.94Å; Y264-F268 AromaticContact CD1-CD2 3.71Å; Y264-F268 HydrophobicContact CD1-CD2 3.71Å; Y264-F268 AromaticContact CD1-CE2 3.76Å; Y264-F268 HydrophobicContact CD1-CE2 3.76Å; Y264-F268 HydrophobicContact CE1-CE2 4.36Å; Y264-F268 HydrophobicContact CG-CD2 4.36Å; Y264-F268 WeakPolarHBondContact O-CD2 3.18Å; Y264-F268 PolarHBondContact O-N 3.39Å; F268-N270 HydrophobicContact CB-CB 4.47Å; F268-N270 VanDerWaalsContact CB-OD1 3.3Å; F268-N270 WeakPolarHBondContact CB-OD1 3.49Å
269C92.5Very high95.6Very high122 Ų12232.9 Ų32.982%0.82420%0.203SC*.  trans-102.326169.9-59.90000112.3
270N96.7Very high95.4Very high0 Ų038.1 Ų38.10%023%0.231CC..PPolyproline II helixtrans-71.1150.1-175.372-67.2000111.9V242 N244 A261 P262 N263 Y264 F268 P290V242-N270 HydrophobicContact CG1-CB 4.13Å; N244-N270 CarbonylContact O-C 3.13Å; N244-N270 VanDerWaalsContact O-CA 3.25Å; N244-N270 WeakPolarHBondContact O-CA 3.46Å; A261-N270 PolarHBondContact O-ND2 3.41Å; P262-N270 WeakPolarHBondContact CA-O 3.44Å; N263-N270 PolarHBondContact N-O 3.03Å; N263-N270 PolarHBondContact N-OD1 3.1Å; Y264-N270 WeakPolarHBondContact CB-OD1 3.38Å; Y264-N270 PolarHBondContact N-OD1 3.4Å; F268-N270 HydrophobicContact CB-CB 4.47Å; F268-N270 VanDerWaalsContact CB-OD1 3.3Å; F268-N270 WeakPolarHBondContact CB-OD1 3.49Å; N270-P290 WeakPolarHBondContact O-CG 3.32Å
271S97.1Very high94.9Very high13 Ų1341.7 Ų41.79%0.09126%0.257CS..PPolyproline II helixtrans-81163.7164.3-61.40000110.8N244 G246N244-S271 PolarHBondContact O-N 3.39Å; G246-S271 WeakPolarHBondContact CA-O 3.34Å; G246-S271 PolarHBondContact N-O 3.46Å
272A97.9Very high94.8Very high0 Ų048 Ų480%029%0.286CS..EExtended strand (participates in β ladder)trans-91.8145.9165.100000110.6L67 F259 S260 P262 Q287 L288L67-A272 HydrophobicContact CD2-CB 4.42Å; F259-A272 CarbonylContact O-C 3.46Å; F259-A272 VanDerWaalsContact O-CA 3.3Å; F259-A272 WeakPolarHBondContact O-CA 3.44Å; S260-A272 VanDerWaalsContact O-CB 3.3Å; S260-A272 WeakPolarHBondContact O-CB 3.43Å; P262-A272 HydrophobicContact CB-CB 3.92Å; P262-A272 HydrophobicContact CG-CB 4.04Å; A272-Q287 CarbonylContact O-C 3.46Å; A272-Q287 VanDerWaalsContact O-CA 3.28Å; A272-Q287 WeakPolarHBondContact O-CA 3.38Å; A272-L288 HydrophobicContact CB-CB 4.27Å; A272-L288 PolarHBondContact N-O 3.06Å; A272-L288 PolarHBondContact O-N 3.48Å
273G98.1Very high94.8Very high0 Ų050.5 Ų50.50%030%0.301CS..EExtended strand (participates in β ladder)trans-115.8151.7174.300000112.1G246 I258 F259 S260 I286G246-G273 WeakPolarHBondContact O-CA 3.41Å; G246-G273 PolarHBondContact O-N 2.62Å; I258-G273 WeakPolarHBondContact CG2-O 3.48Å; F259-G273 PolarHBondContact O-N 3Å; S260-G273 PolarHBondContact OG-O 3.14Å; G273-I286 CarbonylContact C-O 3.48Å; G273-I286 VanDerWaalsContact CA-O 3.32Å; G273-I286 WeakPolarHBondContact CA-O 3.43Å
274M98.5Very high94.8Very high0 Ų054.7 Ų54.70%032%0.318CS..EExtended strand (participates in β ladder)trans-137.5138163.8-51.4163.962.100108.8W52 L67 Y79 V285 I286 L288W52-M274 HydrophobicContact CB-CE 4.37Å; W52-M274 HydrophobicContact CD2-CE 4.05Å; W52-M274 HydrophobicContact CE3-CB 3.85Å; W52-M274 HydrophobicContact CE3-CE 3.98Å; W52-M274 HydrophobicContact CG-CE 4.24Å; W52-M274 HydrophobicContact CZ3-CB 4.05Å; L67-M274 HydrophobicContact CB-CE 4.13Å; L67-M274 HydrophobicContact CB-SD 3.73Å; L67-M274 HydrophobicContact CD2-CG 3.85Å; L67-M274 HydrophobicContact CD2-SD 3.71Å; L67-M274 HydrophobicContact CG-SD 4.26Å; Y79-M274 HydrophobicContact CE1-CE 3.81Å; M274-V285 WeakPolarHBondContact O-CA 3.45Å; M274-I286 HydrophobicContact CB-CD1 3.95Å; M274-I286 HydrophobicContact CB-CG1 3.67Å; M274-I286 HydrophobicContact CE-CD1 4.35Å; M274-I286 HydrophobicContact CG-CD1 4.23Å; M274-I286 HydrophobicContact CG-CG1 4.26Å; M274-I286 PolarHBondContact N-O 3.36Å; M274-I286 PolarHBondContact O-N 2.9Å; M274-I286 HydrophobicContact SD-CD1 3.58Å; M274-I286 VanDerWaalsContact SD-CD1 3.58Å; M274-I286 HydrophobicContact SD-CG1 4.26Å; M274-L288 HydrophobicContact CG-CD1 4.26Å; M274-L288 HydrophobicContact SD-CD1 3.84Å
275L98.6Very high94.9Very high0 Ų055.4 Ų55.40%032%0.324CS..EExtended strand (participates in β ladder)trans-100.2119.5179.9-174.374.6000109.4W52 I53 L235 A237 V256 I258 V283 V285W52-L275 CarbonylContact C-O 3.5Å; W52-L275 WeakPolarHBondContact CA-O 3.43Å; I53-L275 HydrophobicContact CB-CB 4.13Å; I53-L275 HydrophobicContact CB-CD2 4.43Å; I53-L275 HydrophobicContact CD1-CD2 3.96Å; I53-L275 PolarHBondContact N-O 2.83Å; I53-L275 PolarHBondContact O-N 2.8Å; L235-L275 HydrophobicContact CD2-CD2 4.31Å; A237-L275 HydrophobicContact CB-CD2 3.93Å; V256-L275 HydrophobicContact CG1-CD1 4.42Å; V256-L275 HydrophobicContact CG1-CD2 3.92Å; I258-L275 HydrophobicContact CD1-CB 3.91Å; I258-L275 HydrophobicContact CD1-CD1 4.3Å; I258-L275 HydrophobicContact CG1-CB 4.12Å; L275-V283 HydrophobicContact CD1-CG1 3.14Å; L275-V283 HydrophobicContact CD2-CG1 4.29Å; L275-V283 HydrophobicContact CG-CG1 3.8Å; L275-V285 HydrophobicContact CD1-CG2 3.63Å
276H98.5Very high95.2Very high53 Ų5353.3 Ų53.325%0.24531%0.309CS..EExtended strand (participates in β ladder)trans-94.5126.9169.6-171.4-115.3000109.6W52 V283 K284W52-H276 HydrophobicContact CD2-CB 4.19Å; W52-H276 AromaticContact CD2-CD2 3.82Å; W52-H276 AromaticContact CE2-CD2 3.57Å; W52-H276 HydrophobicContact CE3-CB 3.71Å; W52-H276 HydrophobicContact CH2-CB 3.66Å; W52-H276 HydrophobicContact CZ2-CB 4.13Å; W52-H276 AromaticContact CZ2-CD2 3.8Å; W52-H276 HydrophobicContact CZ3-CB 3.43Å; W52-H276 VanDerWaalsContact CZ3-CB 3.43Å; W52-H276 AromaticContact NE1-CD2 3.91Å; H276-V283 CarbonylContact O-C 3.59Å; H276-V283 WeakPolarHBondContact O-CA 3.46Å; H276-K284 HydrophobicContact CB-CB 4.39Å; H276-K284 PolarHBondContact N-O 2.78Å; H276-K284 PolarHBondContact O-N 3.43Å
277V98.4Very high95.6Very high2 Ų254.5 Ų54.51%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-102.9113.5166-171.60000106.8A49 P50 I51 I53 V157 I161A49-V277 HydrophobicContact CB-CB 4.32Å; A49-V277 HydrophobicContact CB-CG1 3.81Å; P50-V277 CarbonylContact C-O 3.5Å; P50-V277 WeakPolarHBondContact CA-O 3.34Å; I51-V277 HydrophobicContact CG2-CB 4.07Å; I51-V277 HydrophobicContact CG2-CG2 4.27Å; I51-V277 PolarHBondContact N-O 3.45Å; I51-V277 PolarHBondContact O-N 2.86Å; I53-V277 HydrophobicContact CD1-CG2 3.82Å; V157-V277 HydrophobicContact CG1-CG1 4.48Å; I161-V277 HydrophobicContact CD1-CB 4.38Å; I161-V277 HydrophobicContact CD1-CG1 3.74Å; I161-V277 HydrophobicContact CD1-CG2 3.66Å
278G97.6Very high95.8Very high5 Ų547.7 Ų47.75%0.05227%0.268CS..  trans-75162.6178.300000112.8A49 D280 S281 Q282A49-G278 WeakPolarHBondContact CB-O 3.27Å; G278-D280 PolarHBondContact O-N 3.09Å; G278-S281 WeakPolarHBondContact O-CA 3.41Å; G278-S281 PolarHBondContact O-N 3.19Å; G278-Q282 PolarHBondContact N-O 3.26Å
279A95.2Very high95.9Very high83 Ų8351.4 Ų51.469%0.68628%0.284SS*.THydrogen-bonded Turntrans-63.1-21.9175.600000113S281A279-S281 PolarHBondContact O-N 3.2Å
280D94.3Very high95.7Very high112 Ų11247.5 Ų47.560%0.59926%0.257SS*.THydrogen-bonded Turntrans-84.59.4172.462-11.9000113.2G278 Q282G278-D280 PolarHBondContact O-N 3.09Å; D280-Q282 HydrophobicContact CB-CG 4.46Å; D280-Q282 PolarHBondContact O-N 3.19Å; D280-Q282 VanDerWaalsContact O-N 3.15Å; D280-Q282 WeakPolarHBondContact OD1-CB 3.36Å; D280-Q282 PolarHBondContact OD1-N 2.82Å; D280-Q282 VanDerWaalsContact OD1-N 3.07Å; D280-Q282 WeakPolarHBondContact OD2-CG 3.48Å
281S89.3Confident94.9Very high78 Ų7855 Ų5555%0.54529%0.29SS..SBendtrans62.39.5-173.4-50.80000114.7G278 A279G278-S281 WeakPolarHBondContact O-CA 3.41Å; G278-S281 PolarHBondContact O-N 3.19Å; A279-S281 PolarHBondContact O-N 3.2Å
282Q94.5Very high93.3Very high131 Ų13161.8 Ų61.861%0.61233%0.325SS*.  trans-73.3134.8173.4-68-64.5-41.300110.2G278 D280G278-Q282 PolarHBondContact N-O 3.26Å; D280-Q282 HydrophobicContact CB-CG 4.46Å; D280-Q282 PolarHBondContact O-N 3.19Å; D280-Q282 VanDerWaalsContact O-N 3.15Å; D280-Q282 WeakPolarHBondContact OD1-CB 3.36Å; D280-Q282 PolarHBondContact OD1-N 2.82Å; D280-Q282 VanDerWaalsContact OD1-N 3.07Å; D280-Q282 WeakPolarHBondContact OD2-CG 3.48Å
283V96Very high90.9Very high57 Ų5769.6 Ų69.635%0.34538%0.376SS..EExtended strand (participates in β ladder)trans-104.8127.2-177.9-179.30000109.4I161 L235 L275 H276I161-V283 HydrophobicContact CD1-CG2 4.28Å; L235-V283 HydrophobicContact CD2-CG1 4.37Å; L235-V283 HydrophobicContact CD2-CG2 4.36Å; L275-V283 HydrophobicContact CD1-CG1 3.14Å; L275-V283 HydrophobicContact CD2-CG1 4.29Å; L275-V283 HydrophobicContact CG-CG1 3.8Å; H276-V283 CarbonylContact O-C 3.59Å; H276-V283 WeakPolarHBondContact O-CA 3.46Å
284K96.3Very high90.6Very high125 Ų12573.1 Ų73.154%0.54339%0.394SS..EExtended strand (participates in β ladder)trans-127.8129.9177.2175.6-178.8179.2175.20109.9H276H276-K284 HydrophobicContact CB-CB 4.39Å; H276-K284 PolarHBondContact N-O 2.78Å; H276-K284 PolarHBondContact O-N 3.43Å
285V96.1Very high90.2Very high33 Ų3376.9 Ų76.920%0.242%0.415CS..EExtended strand (participates in β ladder)trans-94.4137.7169.5-167.50000110Y247 F249 M274 L275Y247-V285 HydrophobicContact CD1-CB 4.19Å; Y247-V285 HydrophobicContact CD1-CG1 3.42Å; Y247-V285 VanDerWaalsContact CD1-CG1 3.42Å; Y247-V285 HydrophobicContact CD2-CB 4.37Å; Y247-V285 HydrophobicContact CD2-CG1 4.2Å; Y247-V285 HydrophobicContact CD2-CG2 4.04Å; Y247-V285 HydrophobicContact CE1-CB 4.33Å; Y247-V285 HydrophobicContact CE1-CG1 3.97Å; Y247-V285 HydrophobicContact CE2-CG2 4.39Å; Y247-V285 HydrophobicContact CG-CB 4.2Å; Y247-V285 HydrophobicContact CG-CG1 3.55Å; Y247-V285 HydrophobicContact CG-CG2 4.2Å; F249-V285 HydrophobicContact CZ-CG2 4.37Å; M274-V285 WeakPolarHBondContact O-CA 3.45Å; L275-V285 HydrophobicContact CD1-CG2 3.63Å
286I95.7Very high89.7Confident8 Ų881.2 Ų81.24%0.04144%0.438CS..EExtended strand (participates in β ladder)trans-112147.1166.561.3170000109.6W52 R70 G273 M274 L288W52-I286 HydrophobicContact CE3-CD1 4.32Å; W52-I286 HydrophobicContact CH2-CD1 3.48Å; W52-I286 VanDerWaalsContact CH2-CD1 3.48Å; W52-I286 HydrophobicContact CH2-CG1 3.94Å; W52-I286 HydrophobicContact CH2-CG2 3.93Å; W52-I286 HydrophobicContact CZ2-CD1 4.36Å; W52-I286 HydrophobicContact CZ3-CD1 3.45Å; W52-I286 VanDerWaalsContact CZ3-CD1 3.45Å; W52-I286 HydrophobicContact CZ3-CG1 3.58Å; W52-I286 HydrophobicContact CZ3-CG2 4.21Å; R70-I286 HydrophobicContact CB-CD1 4.43Å; R70-I286 HydrophobicContact CG-CD1 3.49Å; R70-I286 VanDerWaalsContact CG-CD1 3.49Å; G273-I286 CarbonylContact C-O 3.48Å; G273-I286 VanDerWaalsContact CA-O 3.32Å; G273-I286 WeakPolarHBondContact CA-O 3.43Å; M274-I286 HydrophobicContact CB-CD1 3.95Å; M274-I286 HydrophobicContact CB-CG1 3.67Å; M274-I286 HydrophobicContact CE-CD1 4.35Å; M274-I286 HydrophobicContact CG-CD1 4.23Å; M274-I286 HydrophobicContact CG-CG1 4.26Å; M274-I286 PolarHBondContact N-O 3.36Å; M274-I286 PolarHBondContact O-N 2.9Å; M274-I286 HydrophobicContact SD-CD1 3.58Å; M274-I286 VanDerWaalsContact SD-CD1 3.58Å; M274-I286 HydrophobicContact SD-CG1 4.26Å; I286-L288 HydrophobicContact CD1-CD1 4.45Å
287Q95.7Very high89.2Confident83 Ų8382.9 Ų82.939%0.38845%0.45SS..EExtended strand (participates in β ladder)trans-112.1140.5176.5-61.6179.9-51.700110.2N245 Y247 A272N245-Q287 VanDerWaalsContact CB-NE2 3.29Å; N245-Q287 PolarHBondContact O-NE2 3.48Å; Y247-Q287 HydrophobicContact CD1-CG 4.11Å; Y247-Q287 HydrophobicContact CE1-CG 3.81Å; Y247-Q287 VanDerWaalsContact CE1-NE2 3.35Å; A272-Q287 CarbonylContact O-C 3.46Å; A272-Q287 VanDerWaalsContact O-CA 3.28Å; A272-Q287 WeakPolarHBondContact O-CA 3.38Å
288L94.3Very high88.6Confident18 Ų1887.9 Ų87.99%0.09448%0.477CS..EExtended strand (participates in β ladder)trans-117110.3165.8-66.696.1000108.5R66 L67 R70 A272 M274 I286R66-L288 HydrophobicContact CB-CD2 3.92Å; R66-L288 WeakPolarHBondContact O-CD2 3.05Å; L67-L288 HydrophobicContact CD2-CD1 3.77Å; L67-L288 HydrophobicContact CD2-CD2 4.46Å; R70-L288 HydrophobicContact CB-CD2 4.09Å; R70-L288 HydrophobicContact CG-CD1 4.37Å; R70-L288 HydrophobicContact CG-CD2 4.43Å; R70-L288 HydrophobicContact CG-CG 4.49Å; A272-L288 HydrophobicContact CB-CB 4.27Å; A272-L288 PolarHBondContact N-O 3.06Å; A272-L288 PolarHBondContact O-N 3.48Å; M274-L288 HydrophobicContact CG-CD1 4.26Å; M274-L288 HydrophobicContact SD-CD1 3.84Å; I286-L288 HydrophobicContact CD1-CD1 4.45Å
289K93.3Very high88Confident156 Ų15693.5 Ų93.568%0.67851%0.505SS*.PPolyproline II helixtrans-65.1152.4173.4-67.9-172.3176.1-1750110.5R66 K291R66-K289 PolarHBondContact NH2-O 3.43Å; K289-K291 PolarHBondContact O-N 2.67Å
290P86.7Confident87.5Confident41 Ų4194.2 Ų94.227%0.26649%0.493SS..PPolyproline II helixtrans-49.3137.5168.1-27.536.2000111.7P262 N263 N270P262-P290 HydrophobicContact CB-CG 4.2Å; N263-P290 HydrophobicContact CB-CB 3.92Å; N263-P290 HydrophobicContact CB-CG 3.94Å; N270-P290 WeakPolarHBondContact O-CG 3.32Å
291K80.5Confident87Confident158 Ų15892.8 Ų92.869%0.68748%0.484SS*.SBendtrans-81.3122.7159.8-84.7-176.1177.1-178.20105.2K289K289-K291 PolarHBondContact O-N 2.67Å
292N64.3Low86.8Confident154 Ų15494.1 Ų94.182%0.82448%0.479SS*.  trans3.9119.9-177.7-68.6-11.8000116.7
293P48.2Very low86.1Confident165 Ų16590.7 Ų90.7100%1.07147%0.467SS*.  trans-58.80-179.428.6-35.2000113.1

Retrieved 293 of 293 residues in 427.1 ms (Link to these results)

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