A0A087YKK9_POEFO Loading...

3-ketoacyl-[acyl-carrier-protein] reductase beta subunit

AlphaFold DB (A0A3B3TXY6), UniProt , Accession A0A087YKK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 238 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
1M57.6Low92.9Very high244 Ų24440.8 Ų40.8100%1.20221%0.211SC*.  0140.90-69179.8-172.300108.4
2S82.6Confident93.2Very high50 Ų5048.2 Ų48.235%0.3523%0.234SC..PPolyproline II helixtrans-64.8133.1175.8169.50000110.8G26 R28S2-G26 WeakPolarHBondContact CB-O 3.23Å; S2-G26 PolarHBondContact OG-O 3.35Å; S2-R28 PolarHBondContact OG-N 3.09Å; S2-R28 VanDerWaalsContact OG-N 3.11Å
3R94.2Very high93.5Very high114 Ų11446 Ų4643%0.4323%0.231SC..PPolyproline II helixtrans-67.7133.4177.6-72.6-175.1-177-159.8-2.2109.5C27 R28 A79 Y80R3-C27 WeakPolarHBondContact O-CA 3.38Å; R3-C27 WeakPolarHBondContact O-CB 3.4Å; R3-R28 PolarHBondContact O-N 3.23Å; R3-A79 HydrophobicContact CB-CB 3.73Å; R3-A79 HydrophobicContact CG-CB 3.92Å; R3-Y80 PolarHBondContact NH1-OH 2.93Å
4L97.9Very high93.9Very high3 Ų344.4 Ų44.42%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-84.7125.6171.1177.364.8000109.5R28 A30 I71 C75 G76 D77 M78 A79 Y80L4-R28 WeakPolarHBondContact CA-O 3.19Å; L4-R28 HydrophobicContact CD1-CB 4.2Å; L4-A30 HydrophobicContact CD1-CB 4.48Å; L4-I71 HydrophobicContact CD2-CG2 4.05Å; L4-C75 HydrophobicContact CD1-CB 3.85Å; L4-C75 HydrophobicContact CD2-CB 3.51Å; L4-C75 HydrophobicContact CG-CB 4.34Å; L4-G76 WeakPolarHBondContact CD2-O 3.46Å; L4-D77 WeakPolarHBondContact CB-O 3.3Å; L4-M78 HydrophobicContact CD2-CG 3.9Å; L4-M78 HydrophobicContact CG-CG 4.48Å; L4-A79 WeakPolarHBondContact O-CB 3.37Å; L4-A79 PolarHBondContact O-N 3.25Å; L4-Y80 PolarHBondContact O-N 2.86Å; L4-Y80 VanDerWaalsContact O-N 3.07Å
5A98.6Very high94.2Very high0 Ų041.5 Ų41.50%021%0.21CC..EExtended strand (participates in β ladder)trans-112.8132.3171.500000110.8L22 C27 R28 V29 A30 Y80A5-L22 HydrophobicContact CB-CD1 3.77Å; A5-C27 HydrophobicContact CB-CB 4.46Å; A5-R28 PolarHBondContact N-O 3.36Å; A5-V29 CarbonylContact O-C 3.58Å; A5-V29 WeakPolarHBondContact O-CA 3.41Å; A5-A30 PolarHBondContact O-N 3.02Å; A5-Y80 CarbonylContact C-O 3.55Å; A5-Y80 WeakPolarHBondContact CA-O 3.44Å; A5-Y80 HydrophobicContact CB-CD2 4.31Å
6V98.8Very high94.5Very high0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-105.6126.5172-174.90000108.7A30 V32 F68 I71 M78 Y80 L81 V82V6-A30 WeakPolarHBondContact CA-O 3.43Å; V6-A30 HydrophobicContact CG1-CB 4.45Å; V6-A30 HydrophobicContact CG2-CB 4.14Å; V6-V32 HydrophobicContact CG1-CG2 3.76Å; V6-F68 HydrophobicContact CG1-CE1 4.38Å; V6-F68 HydrophobicContact CG1-CZ 4.1Å; V6-I71 HydrophobicContact CG1-CD1 4Å; V6-I71 HydrophobicContact CG2-CD1 4.4Å; V6-I71 HydrophobicContact CG2-CG2 3.98Å; V6-M78 HydrophobicContact CB-SD 4.49Å; V6-M78 HydrophobicContact CG2-CG 3.73Å; V6-M78 HydrophobicContact CG2-SD 3.47Å; V6-M78 WeakPolarHBondContact CG2-SD 3.43Å; V6-Y80 PolarHBondContact N-O 3.27Å; V6-L81 HydrophobicContact CB-CD1 4.07Å; V6-L81 HydrophobicContact CG1-CD1 4.19Å; V6-L81 CarbonylContact O-C 3.49Å; V6-L81 WeakPolarHBondContact O-CA 3.48Å; V6-V82 PolarHBondContact O-N 3Å
7V98.9Very high94.7Very high0 Ų040.2 Ų40.20%020%0.203CC..EExtended strand (participates in β ladder)trans-119.199.7179.4-171.80000109.3G10 G15 V18 A19 L22 V29 A30 V32 V82V7-G10 PolarHBondContact O-N 2.86Å; V7-G15 WeakPolarHBondContact CG1-O 3.45Å; V7-V18 HydrophobicContact CG2-CG1 4.27Å; V7-A19 HydrophobicContact CG2-CB 4.31Å; V7-L22 HydrophobicContact CG2-CD1 4.21Å; V7-V29 HydrophobicContact CG2-CG1 4.1Å; V7-A30 PolarHBondContact N-O 3.11Å; V7-V32 PolarHBondContact O-N 3.45Å; V7-V82 HydrophobicContact CG1-CB 4.29Å; V7-V82 HydrophobicContact CG2-CB 4.41Å
8C98.9Very high94.9Very high0 Ų038.1 Ų38.10%019%0.193CC..EExtended strand (participates in β ladder)trans-74.8124.7172.6-650000109.9V58 V82 A84 A85C8-V58 HydrophobicContact CB-CG1 4.14Å; C8-V82 PolarHBondContact N-O 3.2Å; C8-A84 CarbonylContact O-C 3.52Å; C8-A84 VanDerWaalsContact O-CA 3.29Å; C8-A84 WeakPolarHBondContact O-CA 3.25Å; C8-A84 WeakPolarHBondContact O-CB 3.49Å; C8-A84 PolarHBondContact O-N 3.11Å; C8-A85 HydrophobicContact CB-CB 4.48Å; C8-A85 PolarHBondContact O-N 3.03Å
9G98.3Very high95.1Very high16 Ų1636.2 Ų36.217%0.16518%0.183CC..THydrogen-bonded Turntrans78.124.4-168.600000113.2S11 V32G9-S11 VanDerWaalsContact C-N 3.26Å; G9-S11 PolarHBondContact O-N 2.98Å; G9-V32 WeakPolarHBondContact CA-O 3.42Å; G9-V32 PolarHBondContact N-O 2.96Å
10G98Very high95.3Very high0 Ų038 Ų380%019%0.187CC..THydrogen-bonded Turntrans-78.73.9-174.200000116V7 E16 V31 V32V7-G10 PolarHBondContact O-N 2.86Å; G10-E16 VanDerWaalsContact O-CA 3.28Å; G10-E16 WeakPolarHBondContact O-CA 3.35Å; G10-V31 VanDerWaalsContact C-CG1 3.5Å; G10-V32 PolarHBondContact N-O 3.4Å
11S97.9Very high95.5Very high22 Ų2237.5 Ų37.515%0.15419%0.186CC..THydrogen-bonded Turntrans-87.4-9.8-176.155.40000114.8G9 S33 A38G9-S11 VanDerWaalsContact C-N 3.26Å; G9-S11 PolarHBondContact O-N 2.98Å; S11-S33 VanDerWaalsContact OG-CB 3.22Å; S11-S33 WeakPolarHBondContact OG-CB 3.21Å; S11-S33 PolarHBondContact OG-OG 2.61Å; S11-A38 WeakPolarHBondContact CB-O 3.44Å
12R96.9Very high97.4Very high129 Ų12926 Ų2649%0.48713%0.129SC..SBendtrans-159165.4178.559.7178.2-179.1-175.9-1.2113.2G15 E16 D185R12-G15 PolarHBondContact O-N 2.72Å; R12-E16 WeakPolarHBondContact CA-OE2 3.44Å; R12-E16 PolarHBondContact O-N 3.16Å; R12-D185 WeakPolarHBondContact CD-OD2 3.36Å; R12-D185 IonicContact CZ-OD2 2.72Å; R12-D185 IonicContact NE-OD2 2.64Å; R12-D185 IonicContact NH1-OD2 3.2Å; R12-D185 PolarHBondContact NH1-OD2 2.86Å; R12-D185 VanDerWaalsContact NH1-OD2 3.1Å
13G97.3Very high98.1Very high20 Ų2024 Ų2421%0.20612%0.115CC..Hα-helixtrans58.2-137.5169.400000113.1G15 E16 A17G13-G15 VanDerWaalsContact C-N 3.28Å; G13-G15 PolarHBondContact O-N 3.5Å; G13-E16 PolarHBondContact O-N 3.11Å; G13-A17 PolarHBondContact O-N 3.38Å; G13-A17 VanDerWaalsContact O-N 3.08Å
14I98.6Very high98.3Very high23 Ų2323.8 Ų23.812%0.11812%0.119CC..Hα-helixtrans-57.6-41.4-179.1-61.4173.1000111.4E16 A17 V18 I134 P179 I182 T184 A210I14-E16 PolarHBondContact O-N 3.24Å; I14-A17 PolarHBondContact O-N 2.96Å; I14-V18 HydrophobicContact CG2-CG2 4.28Å; I14-V18 WeakPolarHBondContact O-CB 3.22Å; I14-V18 VanDerWaalsContact O-CG2 3.24Å; I14-V18 WeakPolarHBondContact O-CG2 3.32Å; I14-V18 PolarHBondContact O-N 2.92Å; I14-I134 HydrophobicContact CD1-CG2 4.37Å; I14-I134 HydrophobicContact CG2-CD1 4.38Å; I14-P179 HydrophobicContact CD1-CB 4.4Å; I14-P179 HydrophobicContact CD1-CG 4.18Å; I14-I182 HydrophobicContact CD1-CB 4.36Å; I14-I182 HydrophobicContact CD1-CG1 4.18Å; I14-I182 HydrophobicContact CD1-CG2 4.27Å; I14-I182 HydrophobicContact CG1-CG2 4.03Å; I14-T184 HydrophobicContact CG1-CG2 4.38Å; I14-A210 HydrophobicContact CD1-CB 4.24Å; I14-A210 HydrophobicContact CG1-CB 4.15Å; I14-A210 HydrophobicContact CG2-CB 4.02Å
15G98.6Very high98.2Very high2 Ų231.1 Ų31.12%0.02115%0.146CC..Hα-helixtrans-63.3-42.6-179.300000112.4V7 R12 G13 V18 A19V7-G15 WeakPolarHBondContact CG1-O 3.45Å; R12-G15 PolarHBondContact O-N 2.72Å; G13-G15 VanDerWaalsContact C-N 3.28Å; G13-G15 PolarHBondContact O-N 3.5Å; G15-V18 PolarHBondContact O-N 3.48Å; G15-A19 WeakPolarHBondContact O-CB 3.39Å; G15-A19 PolarHBondContact O-N 3.18Å
16E98.5Very high98Very high54 Ų5433.4 Ų33.425%0.25217%0.17SC..Hα-helixtrans-64.5-45176.1-174.1-169.9168.600112G10 R12 G13 I14 V18 A19 R20G10-E16 VanDerWaalsContact O-CA 3.28Å; G10-E16 WeakPolarHBondContact O-CA 3.35Å; R12-E16 WeakPolarHBondContact CA-OE2 3.44Å; R12-E16 PolarHBondContact O-N 3.16Å; G13-E16 PolarHBondContact O-N 3.11Å; I14-E16 PolarHBondContact O-N 3.24Å; E16-V18 VanDerWaalsContact C-N 3.27Å; E16-V18 PolarHBondContact O-N 3.39Å; E16-A19 WeakPolarHBondContact O-CB 3.49Å; E16-A19 PolarHBondContact O-N 3.03Å; E16-A19 VanDerWaalsContact O-N 3.14Å; E16-R20 WeakPolarHBondContact O-CB 3.49Å; E16-R20 PolarHBondContact O-N 2.97Å; E16-R20 IonicContact OE1-CZ 3.89Å; E16-R20 IonicContact OE1-NH2 2.82Å; E16-R20 PolarHBondContact OE1-NH2 3.3Å
17A98.7Very high98Very high6 Ų634 Ų345%0.0517%0.174CC..Hα-helixtrans-60.5-38.6176.800000111.9G13 I14 L21 P207 A211G13-A17 PolarHBondContact O-N 3.38Å; G13-A17 VanDerWaalsContact O-N 3.08Å; I14-A17 PolarHBondContact O-N 2.96Å; A17-L21 WeakPolarHBondContact O-CB 3.45Å; A17-L21 PolarHBondContact O-N 3.15Å; A17-P207 HydrophobicContact CB-CB 3.59Å; A17-P207 WeakPolarHBondContact CB-O 3.45Å; A17-A211 HydrophobicContact CB-CB 3.89Å
18V98.8Very high97.9Very high3 Ų337.1 Ų37.12%0.01819%0.186CC..Hα-helixtrans-64.7-45.8172.9170.70000111.6V7 I14 G15 E16 R20 L21 L22 V82 A211 V214V7-V18 HydrophobicContact CG2-CG1 4.27Å; I14-V18 HydrophobicContact CG2-CG2 4.28Å; I14-V18 WeakPolarHBondContact O-CB 3.22Å; I14-V18 VanDerWaalsContact O-CG2 3.24Å; I14-V18 WeakPolarHBondContact O-CG2 3.32Å; I14-V18 PolarHBondContact O-N 2.92Å; G15-V18 PolarHBondContact O-N 3.48Å; E16-V18 VanDerWaalsContact C-N 3.27Å; E16-V18 PolarHBondContact O-N 3.39Å; V18-R20 VanDerWaalsContact C-N 3.33Å; V18-R20 PolarHBondContact O-N 3Å; V18-L21 PolarHBondContact O-N 2.95Å; V18-L22 HydrophobicContact CG1-CD1 3.61Å; V18-L22 HydrophobicContact CG1-CG 4.26Å; V18-L22 WeakPolarHBondContact O-CB 3.36Å; V18-L22 VanDerWaalsContact O-CG 3.29Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 2.83Å; V18-V82 HydrophobicContact CG1-CB 4.34Å; V18-V82 HydrophobicContact CG1-CG1 4.18Å; V18-V82 HydrophobicContact CG1-CG2 3.98Å; V18-A211 HydrophobicContact CB-CB 4.44Å; V18-A211 HydrophobicContact CG2-CB 3.76Å; V18-V214 HydrophobicContact CG1-CG1 3.97Å; V18-V214 HydrophobicContact CG2-CB 3.87Å; V18-V214 HydrophobicContact CG2-CG1 4Å; V18-V214 HydrophobicContact CG2-CG2 3.78Å
19A98.8Very high97.9Very high1 Ų137.2 Ų37.21%0.00819%0.186CC..Hα-helixtrans-59.4-44.8178.200000111.4V7 G15 E16 L22 A23 V29 V31 L46V7-A19 HydrophobicContact CG2-CB 4.31Å; G15-A19 WeakPolarHBondContact O-CB 3.39Å; G15-A19 PolarHBondContact O-N 3.18Å; E16-A19 WeakPolarHBondContact O-CB 3.49Å; E16-A19 PolarHBondContact O-N 3.03Å; E16-A19 VanDerWaalsContact O-N 3.14Å; A19-L22 PolarHBondContact O-N 2.72Å; A19-A23 WeakPolarHBondContact O-CB 3.46Å; A19-A23 PolarHBondContact O-N 3.22Å; A19-V29 HydrophobicContact CB-CG1 3.95Å; A19-V31 HydrophobicContact CB-CG2 4.14Å; A19-L46 HydrophobicContact CB-CD2 4.21Å
20R98.6Very high97.9Very high72 Ų7236.4 Ų36.427%0.27218%0.178SC..Hα-helixtrans-59.1-52.8175.7-163-172.1-45.9-72.1-4.6111.7E16 V18 L22 A23 E24 S45 L46E16-R20 WeakPolarHBondContact O-CB 3.49Å; E16-R20 PolarHBondContact O-N 2.97Å; E16-R20 IonicContact OE1-CZ 3.89Å; E16-R20 IonicContact OE1-NH2 2.82Å; E16-R20 PolarHBondContact OE1-NH2 3.3Å; V18-R20 VanDerWaalsContact C-N 3.33Å; V18-R20 PolarHBondContact O-N 3Å; R20-L22 VanDerWaalsContact C-N 3.34Å; R20-L22 PolarHBondContact O-N 3.08Å; R20-A23 WeakPolarHBondContact O-CB 3.39Å; R20-A23 PolarHBondContact O-N 3.47Å; R20-E24 WeakPolarHBondContact O-CG 3.29Å; R20-E24 PolarHBondContact O-N 3.14Å; R20-S45 PolarHBondContact NH1-OG 2.88Å; R20-L46 HydrophobicContact CB-CD2 4.21Å
21L98.5Very high98Very high29 Ų2936.4 Ų36.415%0.15218%0.178CC..Hα-helixtrans-63.3-38.7-178.4-179.259.8000112.3A17 V18 E24 R25 A211 L215A17-L21 WeakPolarHBondContact O-CB 3.45Å; A17-L21 PolarHBondContact O-N 3.15Å; V18-L21 PolarHBondContact O-N 2.95Å; L21-E24 PolarHBondContact O-N 3.2Å; L21-R25 VanDerWaalsContact O-CG 3.3Å; L21-R25 WeakPolarHBondContact O-CG 3.43Å; L21-R25 PolarHBondContact O-N 2.94Å; L21-R25 VanDerWaalsContact O-N 3.09Å; L21-A211 HydrophobicContact CD2-CB 4.07Å; L21-L215 HydrophobicContact CD1-CD2 4.27Å; L21-L215 HydrophobicContact CD2-CB 3.95Å; L21-L215 HydrophobicContact CD2-CD2 3.81Å; L21-L215 HydrophobicContact CG-CD2 3.93Å
22L98.2Very high98Very high3 Ų335.4 Ų35.42%0.01617%0.171CC..Hα-helixtrans-66.8-38.9176.1-73.7169.3000112.1A5 V7 V18 A19 R20 R25 G26 C27 V29 Y80 L215 L218A5-L22 HydrophobicContact CB-CD1 3.77Å; V7-L22 HydrophobicContact CG2-CD1 4.21Å; V18-L22 HydrophobicContact CG1-CD1 3.61Å; V18-L22 HydrophobicContact CG1-CG 4.26Å; V18-L22 WeakPolarHBondContact O-CB 3.36Å; V18-L22 VanDerWaalsContact O-CG 3.29Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 2.83Å; A19-L22 PolarHBondContact O-N 2.72Å; R20-L22 VanDerWaalsContact C-N 3.34Å; R20-L22 PolarHBondContact O-N 3.08Å; L22-R25 CarbonylContact O-C 3.59Å; L22-R25 PolarHBondContact O-N 3.5Å; L22-G26 PolarHBondContact O-N 2.76Å; L22-C27 HydrophobicContact CB-CB 4.2Å; L22-C27 VanDerWaalsContact O-CB 3.22Å; L22-C27 WeakPolarHBondContact O-CB 3.1Å; L22-C27 PolarHBondContact O-N 3.09Å; L22-V29 HydrophobicContact CB-CG2 4.13Å; L22-Y80 HydrophobicContact CD2-CD2 4.13Å; L22-Y80 HydrophobicContact CD2-CE2 4.39Å; L22-L215 HydrophobicContact CD2-CD1 3.96Å; L22-L218 HydrophobicContact CD1-CD1 4.2Å; L22-L218 HydrophobicContact CD2-CD1 3.92Å
23A98.2Very high98.1Very high6 Ų629.9 Ų29.95%0.0515%0.152CC..Hα-helixtrans-63.2-44.5174.900000111.6A19 R20 R25 G26 V29 L46 H47 H51A19-A23 WeakPolarHBondContact O-CB 3.46Å; A19-A23 PolarHBondContact O-N 3.22Å; R20-A23 WeakPolarHBondContact O-CB 3.39Å; R20-A23 PolarHBondContact O-N 3.47Å; A23-R25 PolarHBondContact O-N 3.1Å; A23-G26 WeakPolarHBondContact O-CA 3.44Å; A23-G26 PolarHBondContact O-N 2.86Å; A23-V29 HydrophobicContact CB-CG2 4.08Å; A23-L46 HydrophobicContact CB-CB 4.04Å; A23-L46 HydrophobicContact CB-CD1 4.44Å; A23-L46 HydrophobicContact CB-CD2 4.31Å; A23-L46 HydrophobicContact CB-CG 4.49Å; A23-H47 WeakPolarHBondContact CB-O 3.42Å; A23-H51 VanDerWaalsContact CB-CE1 3.45Å; A23-H51 WeakPolarHBondContact CB-CE1 3.47Å
24E97.1Very high98.1Very high111 Ų11135.3 Ų35.352%0.51917%0.167SC..Hα-helixtrans-59.8-30.7173.3-71.4169.2-169.200112.9R20 L21 G26R20-E24 WeakPolarHBondContact O-CG 3.29Å; R20-E24 PolarHBondContact O-N 3.14Å; L21-E24 PolarHBondContact O-N 3.2Å; E24-G26 PolarHBondContact O-N 3.47Å
25R95.8Very high98Very high156 Ų15638.1 Ų38.159%0.58918%0.182SC*.THydrogen-bonded Turntrans-80.77.6172.7-65.5-62.1-172.898.9-0.1113.8L21 L22 A23 L215L21-R25 VanDerWaalsContact O-CG 3.3Å; L21-R25 WeakPolarHBondContact O-CG 3.43Å; L21-R25 PolarHBondContact O-N 2.94Å; L21-R25 VanDerWaalsContact O-N 3.09Å; L22-R25 CarbonylContact O-C 3.59Å; L22-R25 PolarHBondContact O-N 3.5Å; A23-R25 PolarHBondContact O-N 3.1Å; R25-L215 HydrophobicContact CG-CD1 4.48Å; R25-L215 HydrophobicContact CG-CD2 3.97Å
26G95.7Very high97.9Very high48 Ų4841.1 Ų41.150%0.49520%0.196SC..THydrogen-bonded Turntrans79.216.7176.400000114.5S2 L22 A23 E24S2-G26 WeakPolarHBondContact CB-O 3.23Å; S2-G26 PolarHBondContact OG-O 3.35Å; L22-G26 PolarHBondContact O-N 2.76Å; A23-G26 WeakPolarHBondContact O-CA 3.44Å; A23-G26 PolarHBondContact O-N 2.86Å; E24-G26 PolarHBondContact O-N 3.47Å
27C97.1Very high97.9Very high13 Ų1345.6 Ų45.69%0.08822%0.216CC..  trans-77.7144.1170.8-60.60000110.6R3 A5 L22 V29 H51R3-C27 WeakPolarHBondContact O-CA 3.38Å; R3-C27 WeakPolarHBondContact O-CB 3.4Å; A5-C27 HydrophobicContact CB-CB 4.46Å; L22-C27 HydrophobicContact CB-CB 4.2Å; L22-C27 VanDerWaalsContact O-CB 3.22Å; L22-C27 WeakPolarHBondContact O-CB 3.1Å; L22-C27 PolarHBondContact O-N 3.09Å; C27-V29 HydrophobicContact CB-CG2 4.47Å; C27-H51 PolarHBondContact O-CE1 3.21Å; C27-H51 VanDerWaalsContact O-CE1 3.3Å
28R97.9Very high97.9Very high66 Ų6647 Ų4725%0.24923%0.227CC..EExtended strand (participates in β ladder)trans-75.5136.7160.6-66179.1-61.3140.29107.7S2 R3 L4 A5 D50 C75S2-R28 PolarHBondContact OG-N 3.09Å; S2-R28 VanDerWaalsContact OG-N 3.11Å; R3-R28 PolarHBondContact O-N 3.23Å; L4-R28 WeakPolarHBondContact CA-O 3.19Å; L4-R28 HydrophobicContact CD1-CB 4.2Å; A5-R28 PolarHBondContact N-O 3.36Å; R28-D50 HydrophobicContact CG-CB 3.99Å; R28-C75 VanDerWaalsContact CZ-O 3.31Å; R28-C75 PolarHBondContact NH1-O 3.47Å; R28-C75 PolarHBondContact NH2-O 2.91Å
29V98.6Very high97.9Very high1 Ų146.8 Ų46.81%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-123123.9-172.3-173.50000110.4A5 V7 A19 L22 A23 C27 V31 L46 H51 R52A5-V29 CarbonylContact O-C 3.58Å; A5-V29 WeakPolarHBondContact O-CA 3.41Å; V7-V29 HydrophobicContact CG2-CG1 4.1Å; A19-V29 HydrophobicContact CB-CG1 3.95Å; L22-V29 HydrophobicContact CB-CG2 4.13Å; A23-V29 HydrophobicContact CB-CG2 4.08Å; C27-V29 HydrophobicContact CB-CG2 4.47Å; V29-V31 HydrophobicContact CG1-CG2 4.07Å; V29-L46 HydrophobicContact CB-CD1 3.97Å; V29-L46 HydrophobicContact CG1-CD1 4.23Å; V29-L46 HydrophobicContact CG2-CD1 4.5Å; V29-H51 PolarHBondContact N-ND1 2.85Å; V29-H51 VanDerWaalsContact N-ND1 3.15Å; V29-H51 CarbonylContact O-C 3.58Å; V29-H51 VanDerWaalsContact O-CA 3.23Å; V29-H51 WeakPolarHBondContact O-CA 3.37Å; V29-R52 PolarHBondContact O-N 2.91Å
30A98.8Very high97.8Very high0 Ų051.5 Ų51.50%025%0.248CC..EExtended strand (participates in β ladder)trans-96.1107.6166.400000108.8L4 A5 V6 V7 R52 F54 I71L4-A30 HydrophobicContact CD1-CB 4.48Å; A5-A30 PolarHBondContact O-N 3.02Å; V6-A30 WeakPolarHBondContact CA-O 3.43Å; V6-A30 HydrophobicContact CG1-CB 4.45Å; V6-A30 HydrophobicContact CG2-CB 4.14Å; V7-A30 PolarHBondContact N-O 3.11Å; A30-R52 CarbonylContact C-O 3.6Å; A30-R52 VanDerWaalsContact CA-O 3.28Å; A30-R52 WeakPolarHBondContact CA-O 3.42Å; A30-F54 HydrophobicContact CB-CD2 4.07Å; A30-F54 HydrophobicContact CB-CE2 3.74Å; A30-I71 HydrophobicContact CB-CD1 4.33Å; A30-I71 HydrophobicContact CB-CG1 4.45Å; A30-I71 HydrophobicContact CB-CG2 4.42Å
31V98.8Very high97.8Very high0 Ų051.1 Ų51.10%026%0.261CS..EExtended strand (participates in β ladder)trans-86.2121.9175.4175.10000108.7G10 A19 V29 A39 A42 V43 L46 R52 A53 F54G10-V31 VanDerWaalsContact C-CG1 3.5Å; A19-V31 HydrophobicContact CB-CG2 4.14Å; V29-V31 HydrophobicContact CG1-CG2 4.07Å; V31-A39 HydrophobicContact CG1-CB 4.23Å; V31-A42 HydrophobicContact CG1-CB 4.2Å; V31-V43 HydrophobicContact CB-CG2 3.72Å; V31-V43 HydrophobicContact CG2-CG2 3.63Å; V31-L46 HydrophobicContact CG2-CD1 4.2Å; V31-R52 PolarHBondContact N-O 3.21Å; V31-A53 CarbonylContact O-C 3.57Å; V31-A53 WeakPolarHBondContact O-CA 3.47Å; V31-F54 PolarHBondContact O-N 2.76Å
32V98.8Very high97.8Very high1 Ų150 Ų501%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-113.8127.7179.4-177.90000109.3V6 V7 G9 G10 F54 C56 T67 I71V6-V32 HydrophobicContact CG1-CG2 3.76Å; V7-V32 PolarHBondContact O-N 3.45Å; G9-V32 WeakPolarHBondContact CA-O 3.42Å; G9-V32 PolarHBondContact N-O 2.96Å; G10-V32 PolarHBondContact N-O 3.4Å; V32-F54 WeakPolarHBondContact CA-O 3.18Å; V32-F54 HydrophobicContact CG2-CB 4.25Å; V32-C56 HydrophobicContact CG1-CB 3.49Å; V32-C56 VanDerWaalsContact CG1-CB 3.49Å; V32-T67 HydrophobicContact CG1-CG2 4.48Å; V32-I71 HydrophobicContact CG2-CD1 3.96Å
33S98.1Very high97.8Very high12 Ų1251.1 Ų51.18%0.08426%0.262CS..EExtended strand (participates in β ladder)trans-151.9158.2179.9155.10000110.2S11 N35 F54 S55 C56S11-S33 VanDerWaalsContact OG-CB 3.22Å; S11-S33 WeakPolarHBondContact OG-CB 3.21Å; S11-S33 PolarHBondContact OG-OG 2.61Å; S33-N35 VanDerWaalsContact C-N 3.29Å; S33-N35 PolarHBondContact O-N 3.02Å; S33-N35 PolarHBondContact OG-N 3.37Å; S33-N35 PolarHBondContact OG-O 3.38Å; S33-N35 VanDerWaalsContact OG-O 3.06Å; S33-F54 PolarHBondContact N-O 2.68Å; S33-S55 CarbonylContact O-C 3.27Å; S33-S55 WeakPolarHBondContact O-CA 3.42Å; S33-C56 CarbonylContact C-O 3.53Å; S33-C56 PolarHBondContact O-N 2.89Å
34R97.1Very high97.8Very high134 Ų13455 Ų5551%0.50630%0.295SS..SBendtrans-68.9-28.7175.3-71.4179.5-59.2173.63.1113.4S55 C56 D57R34-S55 PolarHBondContact O-OG 2.99Å; R34-C56 WeakPolarHBondContact CG-O 3.49Å; R34-C56 PolarHBondContact N-O 3.36Å; R34-D57 HydrophobicContact CG-CB 3.9Å
35N97.3Very high97.8Very high83 Ų8352 Ų5244%0.44429%0.286SS..SBendtrans-99.7117.9177179.9-46.6000108S33 E37 A38 A39S33-N35 VanDerWaalsContact C-N 3.29Å; S33-N35 PolarHBondContact O-N 3.02Å; S33-N35 PolarHBondContact OG-N 3.37Å; S33-N35 PolarHBondContact OG-O 3.38Å; S33-N35 VanDerWaalsContact OG-O 3.06Å; N35-E37 WeakPolarHBondContact OD1-CB 3.47Å; N35-E37 PolarHBondContact OD1-N 3.44Å; N35-A38 HydrophobicContact CB-CB 4Å; N35-A38 PolarHBondContact OD1-N 3.41Å; N35-A39 PolarHBondContact O-N 3.38Å; N35-A39 VanDerWaalsContact O-N 3.13Å
36Q97.4Very high97.9Very high65 Ų6545.3 Ų45.330%0.30426%0.262SS..Hα-helixtrans-64-48.1-179.2-178.76227.400111.7A38 A39 E40Q36-A38 VanDerWaalsContact C-N 3.29Å; Q36-A38 PolarHBondContact O-N 3.38Å; Q36-A39 WeakPolarHBondContact O-CA 3.33Å; Q36-A39 WeakPolarHBondContact O-CB 3.37Å; Q36-A39 PolarHBondContact O-N 2.89Å; Q36-E40 HydrophobicContact CG-CG 4.43Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.08Å; Q36-E40 PolarHBondContact NE2-OE1 3.08Å; Q36-E40 WeakPolarHBondContact O-CG 3.39Å; Q36-E40 PolarHBondContact O-N 3.23Å
37E98.1Very high97.7Very high148 Ų14849.2 Ų49.269%0.69227%0.267SS*.Hα-helixtrans-59.5-41.1-179.5-61174.8174.700111.4N35 A39 E40 A41N35-E37 WeakPolarHBondContact OD1-CB 3.47Å; N35-E37 PolarHBondContact OD1-N 3.44Å; E37-A39 VanDerWaalsContact C-N 3.34Å; E37-A39 PolarHBondContact O-N 3.15Å; E37-E40 PolarHBondContact O-N 2.92Å; E37-A41 WeakPolarHBondContact O-CB 3.41Å; E37-A41 PolarHBondContact O-N 3.44Å
38A97.9Very high97.4Very high34 Ų3451.9 Ų51.928%0.28130%0.297SS..Hα-helixtrans-66.6-35.3175.500000112.3S11 N35 Q36 A42S11-A38 WeakPolarHBondContact CB-O 3.44Å; N35-A38 HydrophobicContact CB-CB 4Å; N35-A38 PolarHBondContact OD1-N 3.41Å; Q36-A38 VanDerWaalsContact C-N 3.29Å; Q36-A38 PolarHBondContact O-N 3.38Å; A38-A42 WeakPolarHBondContact O-CB 3.49Å; A38-A42 PolarHBondContact O-N 3.13Å; A38-A42 VanDerWaalsContact O-N 3.09Å
39A98.3Very high97Very high0 Ų052.1 Ų52.10%031%0.312CS..Hα-helixtrans-66.9-42.8174.400000111.3V31 N35 Q36 E37 A42 V43 A53V31-A39 HydrophobicContact CG1-CB 4.23Å; N35-A39 PolarHBondContact O-N 3.38Å; N35-A39 VanDerWaalsContact O-N 3.13Å; Q36-A39 WeakPolarHBondContact O-CA 3.33Å; Q36-A39 WeakPolarHBondContact O-CB 3.37Å; Q36-A39 PolarHBondContact O-N 2.89Å; E37-A39 VanDerWaalsContact C-N 3.34Å; E37-A39 PolarHBondContact O-N 3.15Å; A39-A42 PolarHBondContact O-N 2.89Å; A39-V43 WeakPolarHBondContact O-CG2 3.24Å; A39-V43 PolarHBondContact O-N 3.15Å; A39-A53 VanDerWaalsContact C-CB 3.5Å; A39-A53 HydrophobicContact CB-CB 3.75Å
40E98.4Very high96.8Very high100 Ų10057.4 Ų57.447%0.46734%0.34SS..Hα-helixtrans-65.3-44.4177.7-72.5172.6176.700111.8Q36 E37 A42 V43 A44 A53Q36-E40 HydrophobicContact CG-CG 4.43Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.08Å; Q36-E40 PolarHBondContact NE2-OE1 3.08Å; Q36-E40 WeakPolarHBondContact O-CG 3.39Å; Q36-E40 PolarHBondContact O-N 3.23Å; E37-E40 PolarHBondContact O-N 2.92Å; E40-A42 VanDerWaalsContact C-N 3.35Å; E40-A42 PolarHBondContact O-N 2.76Å; E40-V43 PolarHBondContact O-N 2.67Å; E40-A44 WeakPolarHBondContact O-CB 3.29Å; E40-A44 PolarHBondContact O-N 2.87Å; E40-A53 HydrophobicContact CB-CB 4.36Å; E40-A53 HydrophobicContact CG-CB 3.72Å
41A98.2Very high96.8Very high64 Ų6458.6 Ų58.653%0.52935%0.346SS..Hα-helixtrans-60.5-44175.500000111.8E37 V43 A44 S45E37-A41 WeakPolarHBondContact O-CB 3.41Å; E37-A41 PolarHBondContact O-N 3.44Å; A41-V43 PolarHBondContact O-N 3.4Å; A41-A44 PolarHBondContact O-N 2.82Å; A41-S45 PolarHBondContact O-N 2.79Å
42A98.1Very high96.8Very high6 Ų664.1 Ų64.15%0.0537%0.367CS..Hα-helixtrans-60.8-46.7176.100000111.3V31 A38 A39 E40 A44 S45 L46V31-A42 HydrophobicContact CG1-CB 4.2Å; A38-A42 WeakPolarHBondContact O-CB 3.49Å; A38-A42 PolarHBondContact O-N 3.13Å; A38-A42 VanDerWaalsContact O-N 3.09Å; A39-A42 PolarHBondContact O-N 2.89Å; E40-A42 VanDerWaalsContact C-N 3.35Å; E40-A42 PolarHBondContact O-N 2.76Å; A42-A44 PolarHBondContact O-N 3.39Å; A42-S45 PolarHBondContact O-N 3.36Å; A42-S45 VanDerWaalsContact O-N 3.14Å; A42-S45 PolarHBondContact O-OG 2.91Å; A42-L46 WeakPolarHBondContact O-CG 3.39Å
43V98.2Very high96.8Very high25 Ų2565.1 Ų65.115%0.15238%0.375CS..Hα-helixtrans-60.7-42.7176.5163.60000112.5V31 A39 E40 A41 S45 L46 H51 A53V31-V43 HydrophobicContact CB-CG2 3.72Å; V31-V43 HydrophobicContact CG2-CG2 3.63Å; A39-V43 WeakPolarHBondContact O-CG2 3.24Å; A39-V43 PolarHBondContact O-N 3.15Å; E40-V43 PolarHBondContact O-N 2.67Å; A41-V43 PolarHBondContact O-N 3.4Å; V43-S45 PolarHBondContact O-N 3.38Å; V43-L46 WeakPolarHBondContact O-CB 3.5Å; V43-L46 PolarHBondContact O-N 2.92Å; V43-L46 VanDerWaalsContact O-N 3.08Å; V43-H51 HydrophobicContact CG1-CB 3.75Å; V43-H51 HydrophobicContact CG2-CB 4.5Å; V43-A53 HydrophobicContact CB-CB 4.42Å; V43-A53 HydrophobicContact CG2-CB 3.95Å
44A97.8Very high96.8Very high88 Ų8865.8 Ų65.873%0.72738%0.377SS*.Hα-helixtrans-63.1-23.3177.900000112.8E40 A41 A42E40-A44 WeakPolarHBondContact O-CB 3.29Å; E40-A44 PolarHBondContact O-N 2.87Å; A41-A44 PolarHBondContact O-N 2.82Å; A42-A44 PolarHBondContact O-N 3.39Å
45S96.8Very high96.9Very high48 Ų4862 Ų6234%0.33637%0.371SS..THydrogen-bonded Turntrans-85.9-7.5176.582.80000114.5R20 A41 A42 V43R20-S45 PolarHBondContact NH1-OG 2.88Å; A41-S45 PolarHBondContact O-N 2.79Å; A42-S45 PolarHBondContact O-N 3.36Å; A42-S45 VanDerWaalsContact O-N 3.14Å; A42-S45 PolarHBondContact O-OG 2.91Å; V43-S45 PolarHBondContact O-N 3.38Å
46L97.7Very high96.9Very high15 Ų1558.2 Ų58.28%0.07935%0.351CS..SBendtrans-80.4138.3-177.5-59.5-178.8000111.4A19 R20 A23 V29 V31 A42 V43 H51A19-L46 HydrophobicContact CB-CD2 4.21Å; R20-L46 HydrophobicContact CB-CD2 4.21Å; A23-L46 HydrophobicContact CB-CB 4.04Å; A23-L46 HydrophobicContact CB-CD1 4.44Å; A23-L46 HydrophobicContact CB-CD2 4.31Å; A23-L46 HydrophobicContact CB-CG 4.49Å; V29-L46 HydrophobicContact CB-CD1 3.97Å; V29-L46 HydrophobicContact CG1-CD1 4.23Å; V29-L46 HydrophobicContact CG2-CD1 4.5Å; V31-L46 HydrophobicContact CG2-CD1 4.2Å; A42-L46 WeakPolarHBondContact O-CG 3.39Å; V43-L46 WeakPolarHBondContact O-CB 3.5Å; V43-L46 PolarHBondContact O-N 2.92Å; V43-L46 VanDerWaalsContact O-N 3.08Å; L46-H51 HydrophobicContact CD1-CB 4.05Å
47H92.6Very high97Very high131 Ų13156.6 Ų56.661%0.60634%0.344SS*.SBendtrans-75.3129.6170.1-72.5-68.4000110.9A23 H51A23-H47 WeakPolarHBondContact CB-O 3.42Å; H47-H51 PolarHBondContact O-NE2 3.4Å; H47-H51 VanDerWaalsContact O-NE2 3.16Å
48G91.5Very high97Very high69 Ų6950 Ų5071%0.71131%0.314SS*.SBendtrans120.5-164.6178.100000112.2
49A89.4Confident97Very high70 Ų7049.2 Ų49.258%0.57931%0.307SS*.SBendtrans-129.4168.1-179.700000110.4H51A49-H51 PolarHBondContact O-N 3.3Å
50D94.3Very high97.1Very high112 Ų11254.4 Ų54.460%0.59933%0.329SS*.  trans61.923.3176.2-54.8-38.5000115.5R28R28-D50 HydrophobicContact CG-CB 3.99Å
51H98.1Very high97Very high25 Ų2554.6 Ų54.612%0.11633%0.33CS..  trans-75.6146.1165.3-53.6-65.8000110.1A23 C27 V29 V43 L46 H47 A49A23-H51 VanDerWaalsContact CB-CE1 3.45Å; A23-H51 WeakPolarHBondContact CB-CE1 3.47Å; C27-H51 PolarHBondContact O-CE1 3.21Å; C27-H51 VanDerWaalsContact O-CE1 3.3Å; V29-H51 PolarHBondContact N-ND1 2.85Å; V29-H51 VanDerWaalsContact N-ND1 3.15Å; V29-H51 CarbonylContact O-C 3.58Å; V29-H51 VanDerWaalsContact O-CA 3.23Å; V29-H51 WeakPolarHBondContact O-CA 3.37Å; V43-H51 HydrophobicContact CG1-CB 3.75Å; V43-H51 HydrophobicContact CG2-CB 4.5Å; L46-H51 HydrophobicContact CD1-CB 4.05Å; H47-H51 PolarHBondContact O-NE2 3.4Å; H47-H51 VanDerWaalsContact O-NE2 3.16Å; A49-H51 PolarHBondContact O-N 3.3Å
52R98.5Very high97.1Very high117 Ų11758.9 Ų58.944%0.44234%0.339SS..EExtended strand (participates in β ladder)trans-138.9146.1-178.7-64.9-163.2-174.1-154.8-1.3112.3V29 A30 V31 F54V29-R52 PolarHBondContact O-N 2.91Å; A30-R52 CarbonylContact C-O 3.6Å; A30-R52 VanDerWaalsContact CA-O 3.28Å; A30-R52 WeakPolarHBondContact CA-O 3.42Å; V31-R52 PolarHBondContact N-O 3.21Å; R52-F54 HydrophobicContact CB-CD2 4.46Å; R52-F54 HydrophobicContact CB-CE2 3.57Å; R52-F54 HydrophobicContact CB-CZ 3.91Å
53A98.6Very high97.1Very high22 Ų2262.4 Ų62.418%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-104.8140.517900000110.5V31 A39 E40 V43V31-A53 CarbonylContact O-C 3.57Å; V31-A53 WeakPolarHBondContact O-CA 3.47Å; A39-A53 VanDerWaalsContact C-CB 3.5Å; A39-A53 HydrophobicContact CB-CB 3.75Å; E40-A53 HydrophobicContact CB-CB 4.36Å; E40-A53 HydrophobicContact CG-CB 3.72Å; V43-A53 HydrophobicContact CB-CB 4.42Å; V43-A53 HydrophobicContact CG2-CB 3.95Å
54F98.7Very high97.1Very high25 Ų2561.3 Ų61.311%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-137.5135.1177.5-59.3-91.1000111.4A30 V31 V32 S33 R52 T67 T70 I71A30-F54 HydrophobicContact CB-CD2 4.07Å; A30-F54 HydrophobicContact CB-CE2 3.74Å; V31-F54 PolarHBondContact O-N 2.76Å; V32-F54 WeakPolarHBondContact CA-O 3.18Å; V32-F54 HydrophobicContact CG2-CB 4.25Å; S33-F54 PolarHBondContact N-O 2.68Å; R52-F54 HydrophobicContact CB-CD2 4.46Å; R52-F54 HydrophobicContact CB-CE2 3.57Å; R52-F54 HydrophobicContact CB-CZ 3.91Å; F54-T67 HydrophobicContact CB-CG2 3.83Å; F54-T67 HydrophobicContact CD1-CG2 4.39Å; F54-T67 HydrophobicContact CG-CG2 4.25Å; F54-T70 HydrophobicContact CE1-CG2 4.02Å; F54-I71 HydrophobicContact CD1-CG1 4.07Å; F54-I71 HydrophobicContact CD2-CD1 4.08Å; F54-I71 HydrophobicContact CD2-CG1 3.81Å; F54-I71 HydrophobicContact CE1-CG1 3.83Å; F54-I71 HydrophobicContact CE2-CD1 4.27Å; F54-I71 HydrophobicContact CE2-CG1 3.56Å; F54-I71 HydrophobicContact CG-CD1 4.34Å; F54-I71 HydrophobicContact CG-CG1 4.06Å; F54-I71 HydrophobicContact CZ-CB 4.45Å; F54-I71 HydrophobicContact CZ-CG1 3.57Å
55S98.5Very high97.1Very high56 Ų5660.6 Ų60.639%0.39233%0.33SS..EExtended strand (participates in β ladder)trans-85.2121.3171.5-171.40000110.6S33 R34S33-S55 CarbonylContact O-C 3.27Å; S33-S55 WeakPolarHBondContact O-CA 3.42Å; R34-S55 PolarHBondContact O-OG 2.99Å
56C98.6Very high97.2Very high2 Ų264.2 Ų64.21%0.01434%0.341CS..  trans-157.5131.3176.7-1770000111.2V32 S33 R34 T67V32-C56 HydrophobicContact CG1-CB 3.49Å; V32-C56 VanDerWaalsContact CG1-CB 3.49Å; S33-C56 CarbonylContact C-O 3.53Å; S33-C56 PolarHBondContact O-N 2.89Å; R34-C56 WeakPolarHBondContact CG-O 3.49Å; R34-C56 PolarHBondContact N-O 3.36Å; C56-T67 HydrophobicContact CB-CG2 4.04Å; C56-T67 WeakPolarHBondContact CB-OG1 3.48Å
57D98.7Very high97.3Very high31 Ų3164.2 Ų64.217%0.16634%0.342CS..  trans-86.4108.6160.4-166.8-15.6000110.4R34 S59 K60R34-D57 HydrophobicContact CG-CB 3.9Å; D57-S59 PolarHBondContact O-N 3.14Å; D57-S59 WeakPolarHBondContact OD1-CB 3.48Å; D57-S59 PolarHBondContact OD1-N 3.14Å; D57-K60 HydrophobicContact CB-CB 4.41Å; D57-K60 HydrophobicContact CB-CG 3.82Å; D57-K60 WeakPolarHBondContact O-CB 3.28Å; D57-K60 PolarHBondContact O-N 2.91Å
58V98.7Very high97.5Very high9 Ų958.1 Ų58.16%0.05531%0.314CS..THydrogen-bonded Turntrans-59.3-19.5179.2-60.50000112.8C8 K60 A85 T107 G111 T115C8-V58 HydrophobicContact CB-CG1 4.14Å; V58-K60 PolarHBondContact O-N 2.95Å; V58-A85 HydrophobicContact CG1-CB 4.14Å; V58-A85 HydrophobicContact CG2-CB 3.88Å; V58-T107 HydrophobicContact CG2-CG2 4.21Å; V58-G111 WeakPolarHBondContact O-CA 3.4Å; V58-T115 HydrophobicContact CB-CG2 4.23Å; V58-T115 HydrophobicContact CG1-CG2 3.94Å
59S98.4Very high97.9Very high19 Ų1958.4 Ų58.413%0.13330%0.296CS..THydrogen-bonded Turntrans-77.2-3.7176.4115.60000113.3D57D57-S59 PolarHBondContact O-N 3.14Å; D57-S59 WeakPolarHBondContact OD1-CB 3.48Å; D57-S59 PolarHBondContact OD1-N 3.14Å
60K98.6Very high98.3Very high108 Ų10858 Ų5847%0.4729%0.287SS..  trans-118.4110.7-173.4-56.8-63.9-179.3176.70109.9D57 V58 E62 Q63 V64D57-K60 HydrophobicContact CB-CB 4.41Å; D57-K60 HydrophobicContact CB-CG 3.82Å; D57-K60 WeakPolarHBondContact O-CB 3.28Å; D57-K60 PolarHBondContact O-N 2.91Å; V58-K60 PolarHBondContact O-N 2.95Å; K60-E62 PolarHBondContact O-N 3.46Å; K60-Q63 HydrophobicContact CB-CB 4.08Å; K60-Q63 HydrophobicContact CB-CG 3.99Å; K60-Q63 PolarHBondContact O-N 2.96Å; K60-V64 WeakPolarHBondContact O-CG2 3.48Å; K60-V64 PolarHBondContact O-N 3.35Å
61E98.3Very high98.5Very high104 Ų10452.7 Ų52.749%0.48626%0.258SS..Hα-helixtrans-55.1-48.7-175.2176.7169.3-153.400113.5Q63 V64 Q65 L114 R117E61-Q63 PolarHBondContact O-N 3.37Å; E61-V64 PolarHBondContact O-N 2.84Å; E61-Q65 WeakPolarHBondContact O-CB 3.44Å; E61-Q65 PolarHBondContact O-N 2.83Å; E61-L114 HydrophobicContact CB-CD1 4.23Å; E61-L114 HydrophobicContact CB-CD2 4.07Å; E61-L114 HydrophobicContact CG-CD2 4.04Å; E61-R117 IonicContact OE1-CZ 3.46Å; E61-R117 IonicContact OE1-NH1 3.38Å; E61-R117 PolarHBondContact OE1-NH1 3.2Å; E61-R117 IonicContact OE1-NH2 2.93Å; E61-R117 PolarHBondContact OE1-NH2 2.77Å
62E98.3Very high98.4Very high154 Ų15454.5 Ų54.572%0.7227%0.267SS*.Hα-helixtrans-60.7-46.5-179.9-66.8175.2172.200111.5K60 V64 Q65 E66K60-E62 PolarHBondContact O-N 3.46Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.07Å; E62-Q65 PolarHBondContact O-N 2.89Å; E62-E66 WeakPolarHBondContact O-CG 3.44Å; E62-E66 PolarHBondContact O-N 3.25Å
63Q98.5Very high98.3Very high81 Ų8156.4 Ų56.438%0.37928%0.278SS..Hα-helixtrans-63.2-40.1178.2-64.5-170.614.700112.2K60 E61 T67K60-Q63 HydrophobicContact CB-CB 4.08Å; K60-Q63 HydrophobicContact CB-CG 3.99Å; K60-Q63 PolarHBondContact O-N 2.96Å; E61-Q63 PolarHBondContact O-N 3.37Å; Q63-T67 WeakPolarHBondContact O-CB 3.33Å; Q63-T67 PolarHBondContact O-N 2.97Å; Q63-T67 PolarHBondContact O-OG1 3.1Å
64V98.8Very high98.3Very high2 Ų258.2 Ų58.21%0.01229%0.287CS..Hα-helixtrans-62.8-46.8176.2171.20000110.1K60 E61 E62 T67 F68 L114 T115 A118K60-V64 WeakPolarHBondContact O-CG2 3.48Å; K60-V64 PolarHBondContact O-N 3.35Å; E61-V64 PolarHBondContact O-N 2.84Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.07Å; V64-T67 PolarHBondContact O-N 3.06Å; V64-F68 HydrophobicContact CG1-CD2 3.94Å; V64-F68 HydrophobicContact CG1-CE2 4.17Å; V64-F68 WeakPolarHBondContact O-CB 3.39Å; V64-F68 VanDerWaalsContact O-CD2 3.27Å; V64-F68 WeakPolarHBondContact O-CD2 3.28Å; V64-F68 PolarHBondContact O-N 3.01Å; V64-L114 HydrophobicContact CB-CB 4.5Å; V64-L114 HydrophobicContact CG1-CB 4.19Å; V64-L114 HydrophobicContact CG2-CB 4.38Å; V64-T115 HydrophobicContact CG1-CG2 4.02Å; V64-T115 HydrophobicContact CG2-CG2 4.23Å; V64-A118 HydrophobicContact CG1-CB 3.91Å
65Q98.4Very high98.1Very high73 Ų7357.5 Ų57.534%0.34129%0.285SS..Hα-helixtrans-60.3-52.2-179.9-175.4613000111.4E61 E62 T67 F68 E69E61-Q65 WeakPolarHBondContact O-CB 3.44Å; E61-Q65 PolarHBondContact O-N 2.83Å; E62-Q65 PolarHBondContact O-N 2.89Å; Q65-T67 VanDerWaalsContact C-N 3.34Å; Q65-T67 PolarHBondContact O-N 3.28Å; Q65-F68 PolarHBondContact O-N 2.73Å; Q65-E69 PolarHBondContact NE2-OE1 2.82Å; Q65-E69 WeakPolarHBondContact O-CB 3.39Å; Q65-E69 WeakPolarHBondContact O-CG 3.47Å; Q65-E69 PolarHBondContact O-N 3.08Å
66E98.4Very high98Very high124 Ų12456.1 Ų56.158%0.57928%0.28SS*.Hα-helixtrans-60.6-42.4179.5-70.8175.3177.300112.3E62 T70E62-E66 WeakPolarHBondContact O-CG 3.44Å; E62-E66 PolarHBondContact O-N 3.25Å; E66-T70 WeakPolarHBondContact O-CB 3.35Å; E66-T70 PolarHBondContact O-N 3.46Å; E66-T70 PolarHBondContact O-OG1 3.47Å
67T98.8Very high97.9Very high14 Ų1459 Ų599%0.08630%0.295CS..Hα-helixtrans-64.8-48.2179.7-61.30000111.1V32 F54 C56 Q63 V64 Q65 E69 T70 I71V32-T67 HydrophobicContact CG1-CG2 4.48Å; F54-T67 HydrophobicContact CB-CG2 3.83Å; F54-T67 HydrophobicContact CD1-CG2 4.39Å; F54-T67 HydrophobicContact CG-CG2 4.25Å; C56-T67 HydrophobicContact CB-CG2 4.04Å; C56-T67 WeakPolarHBondContact CB-OG1 3.48Å; Q63-T67 WeakPolarHBondContact O-CB 3.33Å; Q63-T67 PolarHBondContact O-N 2.97Å; Q63-T67 PolarHBondContact O-OG1 3.1Å; V64-T67 PolarHBondContact O-N 3.06Å; Q65-T67 VanDerWaalsContact C-N 3.34Å; Q65-T67 PolarHBondContact O-N 3.28Å; T67-E69 PolarHBondContact O-N 2.91Å; T67-T70 PolarHBondContact O-N 3.27Å; T67-I71 HydrophobicContact CG2-CD1 3.89Å; T67-I71 HydrophobicContact CG2-CG1 4.43Å; T67-I71 WeakPolarHBondContact O-CG1 3.4Å; T67-I71 PolarHBondContact O-N 3.44Å
68F98.6Very high97.8Very high4 Ų457.6 Ų57.62%0.01829%0.287CS..Hα-helixtrans-69.1-34.3-178.4-86.5-106.8000112.4V6 V64 Q65 T70 I71 Q72 M78 L81 T115 A118 A119V6-F68 HydrophobicContact CG1-CE1 4.38Å; V6-F68 HydrophobicContact CG1-CZ 4.1Å; V64-F68 HydrophobicContact CG1-CD2 3.94Å; V64-F68 HydrophobicContact CG1-CE2 4.17Å; V64-F68 WeakPolarHBondContact O-CB 3.39Å; V64-F68 VanDerWaalsContact O-CD2 3.27Å; V64-F68 WeakPolarHBondContact O-CD2 3.28Å; V64-F68 PolarHBondContact O-N 3.01Å; Q65-F68 PolarHBondContact O-N 2.73Å; F68-T70 VanDerWaalsContact C-N 3.34Å; F68-I71 PolarHBondContact O-N 2.84Å; F68-Q72 WeakPolarHBondContact O-CB 3.34Å; F68-Q72 PolarHBondContact O-N 3.36Å; F68-M78 HydrophobicContact CD1-CE 3.86Å; F68-M78 HydrophobicContact CD1-SD 3.8Å; F68-M78 HydrophobicContact CE1-CE 4.44Å; F68-M78 HydrophobicContact CE1-SD 3.9Å; F68-L81 HydrophobicContact CE1-CD1 4.11Å; F68-L81 HydrophobicContact CZ-CD1 3.92Å; F68-T115 HydrophobicContact CE2-CG2 3.91Å; F68-T115 HydrophobicContact CZ-CG2 4.11Å; F68-A118 HydrophobicContact CB-CB 3.74Å; F68-A118 HydrophobicContact CD1-CB 4.04Å; F68-A118 HydrophobicContact CD2-CB 4.24Å; F68-A118 HydrophobicContact CG-CB 3.73Å; F68-A119 HydrophobicContact CD1-CB 4.05Å; F68-A119 HydrophobicContact CE1-CB 3.76Å
69E98.1Very high97.8Very high75 Ų7557.2 Ų57.235%0.3529%0.286SS..Hα-helixtrans-62.3-42.7169.6-76.6-175.6-162.300112Q65 T67 Q72 K73Q65-E69 PolarHBondContact NE2-OE1 2.82Å; Q65-E69 WeakPolarHBondContact O-CB 3.39Å; Q65-E69 WeakPolarHBondContact O-CG 3.47Å; Q65-E69 PolarHBondContact O-N 3.08Å; T67-E69 PolarHBondContact O-N 2.91Å; E69-Q72 PolarHBondContact O-N 3.33Å; E69-K73 WeakPolarHBondContact O-CB 3.18Å; E69-K73 VanDerWaalsContact O-CG 3.24Å; E69-K73 WeakPolarHBondContact O-CG 3.44Å; E69-K73 PolarHBondContact O-N 2.68Å; E69-K73 IonicContact OE2-NZ 2.85Å; E69-K73 PolarHBondContact OE2-NZ 2.7Å
70T98.4Very high97.8Very high62 Ų6256.5 Ų56.538%0.3828%0.28SS..Hα-helixtrans-65.9-43.5178-58.20000111.1F54 E66 T67 F68 Q72 K73 T74F54-T70 HydrophobicContact CE1-CG2 4.02Å; E66-T70 WeakPolarHBondContact O-CB 3.35Å; E66-T70 PolarHBondContact O-N 3.46Å; E66-T70 PolarHBondContact O-OG1 3.47Å; T67-T70 PolarHBondContact O-N 3.27Å; F68-T70 VanDerWaalsContact C-N 3.34Å; T70-Q72 VanDerWaalsContact C-N 3.35Å; T70-Q72 PolarHBondContact O-N 3.42Å; T70-K73 PolarHBondContact O-N 3.02Å; T70-T74 HydrophobicContact CG2-CG2 4.23Å; T70-T74 WeakPolarHBondContact O-CB 3.35Å; T70-T74 WeakPolarHBondContact O-CG2 3.24Å; T70-T74 PolarHBondContact O-N 3.5Å; T70-T74 PolarHBondContact O-OG1 3.09Å
71I98.3Very high97.8Very high0 Ų051.4 Ų51.40%026%0.258CS..Hα-helixtrans-56.9-49.9173.1-70.5166.8000109.7L4 V6 A30 V32 F54 T67 F68 K73 T74 C75 G76 M78L4-I71 HydrophobicContact CD2-CG2 4.05Å; V6-I71 HydrophobicContact CG1-CD1 4Å; V6-I71 HydrophobicContact CG2-CD1 4.4Å; V6-I71 HydrophobicContact CG2-CG2 3.98Å; A30-I71 HydrophobicContact CB-CD1 4.33Å; A30-I71 HydrophobicContact CB-CG1 4.45Å; A30-I71 HydrophobicContact CB-CG2 4.42Å; V32-I71 HydrophobicContact CG2-CD1 3.96Å; F54-I71 HydrophobicContact CD1-CG1 4.07Å; F54-I71 HydrophobicContact CD2-CD1 4.08Å; F54-I71 HydrophobicContact CD2-CG1 3.81Å; F54-I71 HydrophobicContact CE1-CG1 3.83Å; F54-I71 HydrophobicContact CE2-CD1 4.27Å; F54-I71 HydrophobicContact CE2-CG1 3.56Å; F54-I71 HydrophobicContact CG-CD1 4.34Å; F54-I71 HydrophobicContact CG-CG1 4.06Å; F54-I71 HydrophobicContact CZ-CB 4.45Å; F54-I71 HydrophobicContact CZ-CG1 3.57Å; T67-I71 HydrophobicContact CG2-CD1 3.89Å; T67-I71 HydrophobicContact CG2-CG1 4.43Å; T67-I71 WeakPolarHBondContact O-CG1 3.4Å; T67-I71 PolarHBondContact O-N 3.44Å; F68-I71 PolarHBondContact O-N 2.84Å; I71-K73 PolarHBondContact O-N 3.47Å; I71-T74 PolarHBondContact O-N 2.92Å; I71-C75 HydrophobicContact CG2-CB 4.26Å; I71-C75 WeakPolarHBondContact O-CA 3.44Å; I71-C75 WeakPolarHBondContact O-CB 3.14Å; I71-C75 PolarHBondContact O-N 3.35Å; I71-G76 PolarHBondContact O-N 2.86Å; I71-M78 HydrophobicContact CG2-CG 4.4Å; I71-M78 HydrophobicContact CG2-SD 4.24Å
72Q96.8Very high97.8Very high63 Ų6346.4 Ų46.429%0.29424%0.235SC..Hα-helixtrans-61-45.4-179.6-172-169.7-40.800111.9F68 E69 T70 T74 G76F68-Q72 WeakPolarHBondContact O-CB 3.34Å; F68-Q72 PolarHBondContact O-N 3.36Å; E69-Q72 PolarHBondContact O-N 3.33Å; T70-Q72 VanDerWaalsContact C-N 3.35Å; T70-Q72 PolarHBondContact O-N 3.42Å; Q72-T74 VanDerWaalsContact C-N 3.34Å; Q72-T74 PolarHBondContact O-N 2.93Å; Q72-G76 VanDerWaalsContact O-CA 3.29Å; Q72-G76 WeakPolarHBondContact O-CA 3.48Å; Q72-G76 PolarHBondContact O-N 3.34Å; Q72-G76 VanDerWaalsContact O-N 3.1Å
73K97Very high97.9Very high157 Ų15739.4 Ų39.468%0.68320%0.202SC*.Hα-helixtrans-64.3-37.2179.9-74.3167.3-175.3162.80112.6E69 T70 I71E69-K73 WeakPolarHBondContact O-CB 3.18Å; E69-K73 VanDerWaalsContact O-CG 3.24Å; E69-K73 WeakPolarHBondContact O-CG 3.44Å; E69-K73 PolarHBondContact O-N 2.68Å; E69-K73 IonicContact OE2-NZ 2.85Å; E69-K73 PolarHBondContact OE2-NZ 2.7Å; T70-K73 PolarHBondContact O-N 3.02Å; I71-K73 PolarHBondContact O-N 3.47Å
74T96.6Very high97.9Very high60 Ų6036.6 Ų36.637%0.36819%0.193SC..Hα-helixtrans-101.6-27.8-170.161.70000114.6T70 I71 Q72T70-T74 HydrophobicContact CG2-CG2 4.23Å; T70-T74 WeakPolarHBondContact O-CB 3.35Å; T70-T74 WeakPolarHBondContact O-CG2 3.24Å; T70-T74 PolarHBondContact O-N 3.5Å; T70-T74 PolarHBondContact O-OG1 3.09Å; I71-T74 PolarHBondContact O-N 2.92Å; Q72-T74 VanDerWaalsContact C-N 3.34Å; Q72-T74 PolarHBondContact O-N 2.93Å
75C96.3Very high97.8Very high10 Ų1037.5 Ų37.57%0.06820%0.2CC..Hα-helixtrans-111.5-21.3-175.9-53.60000112.5L4 R28 I71L4-C75 HydrophobicContact CD1-CB 3.85Å; L4-C75 HydrophobicContact CD2-CB 3.51Å; L4-C75 HydrophobicContact CG-CB 4.34Å; R28-C75 VanDerWaalsContact CZ-O 3.31Å; R28-C75 PolarHBondContact NH1-O 3.47Å; R28-C75 PolarHBondContact NH2-O 2.91Å; I71-C75 HydrophobicContact CG2-CB 4.26Å; I71-C75 WeakPolarHBondContact O-CA 3.44Å; I71-C75 WeakPolarHBondContact O-CB 3.14Å; I71-C75 PolarHBondContact O-N 3.35Å
76G95.4Very high97.7Very high27 Ų2735.1 Ų35.128%0.27820%0.195SC..  trans95.8-161.2-178.500000113.6L4 I71 Q72L4-G76 WeakPolarHBondContact CD2-O 3.46Å; I71-G76 PolarHBondContact O-N 2.86Å; Q72-G76 VanDerWaalsContact O-CA 3.29Å; Q72-G76 WeakPolarHBondContact O-CA 3.48Å; Q72-G76 PolarHBondContact O-N 3.34Å; Q72-G76 VanDerWaalsContact O-N 3.1Å
77D96.2Very high97.7Very high62 Ų6230.4 Ų30.433%0.33217%0.174SC..SBendtrans-74141.3-175.3-69.2-29.8000112.7L4 S122 R125 T126L4-D77 WeakPolarHBondContact CB-O 3.3Å; D77-S122 WeakPolarHBondContact CA-OG 3.36Å; D77-S122 PolarHBondContact OD1-OG 3.27Å; D77-R125 IonicContact OD1-CZ 2.93Å; D77-R125 VanDerWaalsContact OD1-CZ 3.28Å; D77-R125 IonicContact OD1-NE 3.37Å; D77-R125 PolarHBondContact OD1-NE 2.88Å; D77-R125 IonicContact OD1-NH2 3.1Å; D77-R125 PolarHBondContact OD1-NH2 2.93Å; D77-R125 WeakPolarHBondContact OD2-CB 3.5Å; D77-R125 IonicContact OD2-NE 3.48Å; D77-R125 PolarHBondContact OD2-NE 2.88Å; D77-R125 VanDerWaalsContact OD2-NE 3.1Å; D77-T126 WeakPolarHBondContact CB-OG1 3.44Å
78M97.4Very high97.4Very high1 Ų131.4 Ų31.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-87.6126.2-173.5-69.3173.3-78.400110.8L4 V6 F68 I71 A119 S122 M123 T126L4-M78 HydrophobicContact CD2-CG 3.9Å; L4-M78 HydrophobicContact CG-CG 4.48Å; V6-M78 HydrophobicContact CB-SD 4.49Å; V6-M78 HydrophobicContact CG2-CG 3.73Å; V6-M78 HydrophobicContact CG2-SD 3.47Å; V6-M78 WeakPolarHBondContact CG2-SD 3.43Å; F68-M78 HydrophobicContact CD1-CE 3.86Å; F68-M78 HydrophobicContact CD1-SD 3.8Å; F68-M78 HydrophobicContact CE1-CE 4.44Å; F68-M78 HydrophobicContact CE1-SD 3.9Å; I71-M78 HydrophobicContact CG2-CG 4.4Å; I71-M78 HydrophobicContact CG2-SD 4.24Å; M78-A119 HydrophobicContact CE-CB 4.13Å; M78-A119 HydrophobicContact SD-CB 4.39Å; M78-S122 WeakPolarHBondContact CE-OG 3.46Å; M78-S122 PolarHBondContact N-OG 3.49Å; M78-M123 HydrophobicContact CB-CG 4.17Å; M78-T126 WeakPolarHBondContact O-CB 3.29Å; M78-T126 PolarHBondContact O-OG1 3.46Å
79A97.9Very high97.1Very high2 Ų238 Ų382%0.01720%0.203CC..EExtended strand (participates in β ladder)trans-90.9-44.1171.700000111.1R3 L4 T126 A129 A130R3-A79 HydrophobicContact CB-CB 3.73Å; R3-A79 HydrophobicContact CG-CB 3.92Å; L4-A79 WeakPolarHBondContact O-CB 3.37Å; L4-A79 PolarHBondContact O-N 3.25Å; A79-T126 HydrophobicContact CB-CG2 3.78Å; A79-A129 CarbonylContact O-C 3.55Å; A79-A129 WeakPolarHBondContact O-CA 3.21Å; A79-A129 WeakPolarHBondContact O-CB 3.25Å; A79-A130 PolarHBondContact O-N 3.44Å
80Y98.8Very high96.9Very high4 Ų438.9 Ų38.92%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-125139.7-175.2-58.1-35.4000111.8R3 L4 A5 V6 L22 A130 L218 D219R3-Y80 PolarHBondContact NH1-OH 2.93Å; L4-Y80 PolarHBondContact O-N 2.86Å; L4-Y80 VanDerWaalsContact O-N 3.07Å; A5-Y80 CarbonylContact C-O 3.55Å; A5-Y80 WeakPolarHBondContact CA-O 3.44Å; A5-Y80 HydrophobicContact CB-CD2 4.31Å; V6-Y80 PolarHBondContact N-O 3.27Å; L22-Y80 HydrophobicContact CD2-CD2 4.13Å; L22-Y80 HydrophobicContact CD2-CE2 4.39Å; Y80-A130 VanDerWaalsContact CA-O 3.32Å; Y80-A130 WeakPolarHBondContact CA-O 3.31Å; Y80-A130 HydrophobicContact CD1-CB 3.98Å; Y80-A130 HydrophobicContact CE1-CB 4.19Å; Y80-L218 HydrophobicContact CD1-CB 4.38Å; Y80-L218 HydrophobicContact CD1-CD2 3.9Å; Y80-L218 HydrophobicContact CD2-CD1 4.22Å; Y80-L218 HydrophobicContact CE1-CB 4.29Å; Y80-L218 HydrophobicContact CE2-CB 4.47Å; Y80-L218 HydrophobicContact CG-CD1 4.23Å; Y80-L218 HydrophobicContact CG-CD2 3.98Å; Y80-L218 HydrophobicContact CG-CG 4.49Å; Y80-D219 PolarHBondContact OH-OD1 2.76Å
81L98.9Very high96.6Very high0 Ų037.4 Ų37.40%020%0.204CC..EExtended strand (participates in β ladder)trans-124.7128.9168.3174.664.2000109.2V6 F68 A119 M123 A130 I131 V132V6-L81 HydrophobicContact CB-CD1 4.07Å; V6-L81 HydrophobicContact CG1-CD1 4.19Å; V6-L81 CarbonylContact O-C 3.49Å; V6-L81 WeakPolarHBondContact O-CA 3.48Å; F68-L81 HydrophobicContact CE1-CD1 4.11Å; F68-L81 HydrophobicContact CZ-CD1 3.92Å; L81-A119 HydrophobicContact CD2-CB 3.84Å; L81-M123 HydrophobicContact CB-SD 4.43Å; L81-A130 PolarHBondContact N-O 3.5Å; L81-I131 HydrophobicContact CB-CG1 4.25Å; L81-I131 HydrophobicContact CB-CG2 4.37Å; L81-I131 HydrophobicContact CD2-CD1 4.48Å; L81-I131 HydrophobicContact CD2-CG2 4.2Å; L81-I131 HydrophobicContact CG-CG2 4.35Å; L81-I131 CarbonylContact O-C 3.35Å; L81-I131 VanDerWaalsContact O-CA 3.29Å; L81-I131 WeakPolarHBondContact O-CA 3.32Å; L81-V132 PolarHBondContact O-N 2.93Å
82V98.9Very high96.5Very high0 Ų042.1 Ų42.10%023%0.229CC..EExtended strand (participates in β ladder)trans-121.8119.6173.1-176.90000109.6V6 V7 C8 V18 A84 V132 I134 V214 L218V6-V82 PolarHBondContact O-N 3Å; V7-V82 HydrophobicContact CG1-CB 4.29Å; V7-V82 HydrophobicContact CG2-CB 4.41Å; C8-V82 PolarHBondContact N-O 3.2Å; V18-V82 HydrophobicContact CG1-CB 4.34Å; V18-V82 HydrophobicContact CG1-CG1 4.18Å; V18-V82 HydrophobicContact CG1-CG2 3.98Å; V82-A84 HydrophobicContact CG1-CB 4.48Å; V82-V132 WeakPolarHBondContact CA-O 3.36Å; V82-I134 HydrophobicContact CG1-CD1 4.28Å; V82-I134 HydrophobicContact CG1-CG1 4.36Å; V82-V214 HydrophobicContact CG1-CG1 4.17Å; V82-V214 HydrophobicContact CG2-CG1 3.88Å; V82-L218 HydrophobicContact CG2-CD1 3.96Å
83N98.9Very high96.5Very high6 Ų643.9 Ų43.93%0.03224%0.24CC..EExtended strand (participates in β ladder)trans-98.486.2178.4-75.4-42.2000110.6P112 T115 V132 N133 I134N83-P112 HydrophobicContact CB-CB 4.18Å; N83-P112 HydrophobicContact CB-CG 4.19Å; N83-T115 PolarHBondContact ND2-OG1 2.8Å; N83-T115 PolarHBondContact OD1-OG1 3.39Å; N83-V132 PolarHBondContact N-O 3.06Å; N83-N133 PolarHBondContact ND2-OD1 2.93Å; N83-I134 WeakPolarHBondContact O-CB 3.28Å; N83-I134 WeakPolarHBondContact O-CG1 3.42Å; N83-I134 PolarHBondContact O-N 3.38Å
84A98.7Very high96.6Very high23 Ų2344.5 Ų44.519%0.1925%0.25CC..  trans-103.3-10.8178.900000113.9C8 V82 G86 I134C8-A84 CarbonylContact O-C 3.52Å; C8-A84 VanDerWaalsContact O-CA 3.29Å; C8-A84 WeakPolarHBondContact O-CA 3.25Å; C8-A84 WeakPolarHBondContact O-CB 3.49Å; C8-A84 PolarHBondContact O-N 3.11Å; V82-A84 HydrophobicContact CG1-CB 4.48Å; A84-G86 PolarHBondContact O-N 2.78Å; A84-I134 HydrophobicContact CB-CG1 3.76Å
85A97.4Very high96.6Very high21 Ų2151.2 Ų51.217%0.17427%0.268CS..  trans-60.4128.7174.800000110.5C8 V58C8-A85 HydrophobicContact CB-CB 4.48Å; C8-A85 PolarHBondContact O-N 3.03Å; V58-A85 HydrophobicContact CG1-CB 4.14Å; V58-A85 HydrophobicContact CG2-CB 3.88Å
86G96.7Very high96.6Very high22 Ų2251.5 Ų51.523%0.22727%0.27CS..  trans-170.1159.4178.300000113A84 N108A84-G86 PolarHBondContact O-N 2.78Å; G86-N108 WeakPolarHBondContact CA-OD1 3.49Å
87I96.8Very high96.7Very high25 Ų2556.1 Ų56.113%0.12828%0.282CS..  trans-129.4159.5174.362.2172000110.6A103 V104 T107 N108 Y149I87-A103 HydrophobicContact CD1-CB 4.13Å; I87-V104 HydrophobicContact CD1-CG2 4.3Å; I87-V104 HydrophobicContact CG1-CG2 4.23Å; I87-T107 HydrophobicContact CG1-CG2 4.29Å; I87-T107 HydrophobicContact CG2-CG2 4.29Å; I87-N108 PolarHBondContact N-OD1 3.29Å; I87-N108 PolarHBondContact O-ND2 3.18Å; I87-N108 PolarHBondContact O-OD1 3.46Å; I87-Y149 WeakPolarHBondContact O-CD2 3.29Å
88N92.7Very high96.8Very high35 Ų3557.3 Ų57.319%0.18729%0.293CS..  trans-131.9142.3172.2-171.628.9000110.1D90 Q146 Y149 M186N88-D90 PolarHBondContact ND2-OD1 2.95Å; N88-D90 PolarHBondContact ND2-OD2 3.24Å; N88-D90 PolarHBondContact OD1-OD1 2.91Å; N88-Q146 PolarHBondContact ND2-NE2 2.91Å; N88-Q146 PolarHBondContact OD1-NE2 3.36Å; N88-Y149 HydrophobicContact CB-CD2 4.06Å; N88-Y149 HydrophobicContact CB-CE2 4.18Å; N88-Y149 WeakPolarHBondContact OD1-CD2 3.26Å; N88-M186 HydrophobicContact CB-CE 4.32Å; N88-M186 HydrophobicContact CB-CG 4.26Å; N88-M186 HydrophobicContact CB-SD 3.91Å
89R93.3Very high96.8Very high143 Ų14363 Ų6354%0.5432%0.32SS..  trans-14081.5-178.6-65.7-63.1-171.9-159.42108.3A91 D100 V104R89-A91 PolarHBondContact O-N 3.3Å; R89-D100 HydrophobicContact CB-CB 4.25Å; R89-D100 HydrophobicContact CG-CB 4.29Å; R89-D100 IonicContact NE-OD1 3.87Å; R89-V104 HydrophobicContact CB-CG2 4.01Å; R89-V104 HydrophobicContact CG-CG2 3.92Å
90D92.5Very high96.8Very high94 Ų9465.3 Ų65.350%0.50333%0.332SS..  trans-73.4124.4-174.7-69-16000111.3N88 G145 Q146N88-D90 PolarHBondContact ND2-OD1 2.95Å; N88-D90 PolarHBondContact ND2-OD2 3.24Å; N88-D90 PolarHBondContact OD1-OD1 2.91Å; D90-G145 WeakPolarHBondContact CA-O 3.39Å; D90-Q146 VanDerWaalsContact OD1-CG 3.29Å; D90-Q146 WeakPolarHBondContact OD1-CG 3.38Å; D90-Q146 PolarHBondContact OD1-NE2 3.05Å
91A92.6Very high96.8Very high30 Ų3067.7 Ų67.725%0.24834%0.344CS..  trans-162.1148.8171.500000109.1R89 L93 T96 G145R89-A91 PolarHBondContact O-N 3.3Å; A91-L93 PolarHBondContact O-N 2.76Å; A91-T96 PolarHBondContact O-OG1 2.9Å; A91-G145 CarbonylContact C-O 3.57Å; A91-G145 PolarHBondContact N-O 3.31Å; A91-G145 CarbonylContact O-C 3.59Å; A91-G145 VanDerWaalsContact O-C 3.27Å; A91-G145 WeakPolarHBondContact O-CA 3.36Å
92L96.8Very high96.8Very high99 Ų9971.2 Ų71.252%0.51837%0.365SS..  trans-57.1141.2163.5-64.1179.4000108.9L94 R95 T96L92-L94 PolarHBondContact O-N 3.41Å; L92-R95 CarbonylContact O-C 3.59Å; L92-R95 WeakPolarHBondContact O-CA 3.29Å; L92-R95 PolarHBondContact O-N 3.34Å; L92-T96 PolarHBondContact O-N 2.9Å; L92-T96 VanDerWaalsContact O-N 3.11Å; L92-T96 PolarHBondContact O-OG1 2.98Å
93L97.4Very high96.8Very high101 Ų10173 Ų7353%0.52938%0.38SS..G310 helixtrans-51.4-39.8-173.6-178.961.8000113.2A91 R95 T96 M101 C147A91-L93 PolarHBondContact O-N 2.76Å; L93-R95 PolarHBondContact O-N 3.46Å; L93-R95 VanDerWaalsContact O-N 3.13Å; L93-T96 PolarHBondContact O-N 3.31Å; L93-M101 HydrophobicContact CD1-CE 3.76Å; L93-C147 HydrophobicContact CD1-CB 4.17Å
94L97.6Very high96.8Very high169 Ų16972.8 Ų72.889%0.88538%0.379SS*.G310 helixtrans-57.4-26.3177-177.264000113.7L92L92-L94 PolarHBondContact O-N 3.41Å
95R96.9Very high96.8Very high201 Ų20174.7 Ų74.776%0.75839%0.386SS*.G310 helixtrans-108.8-6.6-177.3-63.1-176.6178175.9-1113L92 L93 K97L92-R95 CarbonylContact O-C 3.59Å; L92-R95 WeakPolarHBondContact O-CA 3.29Å; L92-R95 PolarHBondContact O-N 3.34Å; L93-R95 PolarHBondContact O-N 3.46Å; L93-R95 VanDerWaalsContact O-N 3.13Å; R95-K97 PolarHBondContact O-N 3.39Å
96T96.7Very high96.8Very high17 Ų1777.5 Ų77.510%0.10440%0.395CS..  trans-70.6124.3177.4-50.60000108.7A91 L92 L93 D100 M101A91-T96 PolarHBondContact O-OG1 2.9Å; L92-T96 PolarHBondContact O-N 2.9Å; L92-T96 VanDerWaalsContact O-N 3.11Å; L92-T96 PolarHBondContact O-OG1 2.98Å; L93-T96 PolarHBondContact O-N 3.31Å; T96-D100 HydrophobicContact CG2-CB 4.5Å; T96-M101 HydrophobicContact CG2-CE 3.78Å; T96-M101 HydrophobicContact CG2-CG 3.52Å; T96-M101 WeakPolarHBondContact O-CE 3.35Å
97K97.9Very high96.9Very high123 Ų12377 Ų7754%0.53539%0.387SS..  trans-73.3142.2176.3-60.5-179.7-179.6178.60110.4R95 E99 D100 M101R95-K97 PolarHBondContact O-N 3.39Å; K97-E99 WeakPolarHBondContact CB-OE2 3.32Å; K97-E99 PolarHBondContact O-N 3.49Å; K97-D100 HydrophobicContact CB-CB 4.48Å; K97-D100 PolarHBondContact O-N 3.38Å; K97-M101 PolarHBondContact O-N 2.85Å; K97-M101 VanDerWaalsContact O-N 3.15Å
98P98.1Very high97Very high87 Ų8775.8 Ų75.857%0.56538%0.381SS*.Hα-helixtrans-51.3-40.8175.4-28.535.4000113.4D100 M101 V102P98-D100 VanDerWaalsContact C-N 3.33Å; P98-D100 PolarHBondContact O-N 2.88Å; P98-M101 WeakPolarHBondContact O-CB 3.3Å; P98-M101 PolarHBondContact O-N 2.95Å; P98-V102 WeakPolarHBondContact O-CG2 3.43Å; P98-V102 PolarHBondContact O-N 3Å
99E98.1Very high97.3Very high120 Ų12075.8 Ų75.856%0.56138%0.381SS*.Hα-helixtrans-62.3-38.5179.2-41.678.4-111.900112.6K97 V102 A103K97-E99 WeakPolarHBondContact CB-OE2 3.32Å; K97-E99 PolarHBondContact O-N 3.49Å; E99-V102 PolarHBondContact O-N 3.18Å; E99-A103 VanDerWaalsContact O-CB 3.31Å; E99-A103 WeakPolarHBondContact O-CB 3.14Å; E99-A103 PolarHBondContact O-N 2.96Å
100D98Very high97.6Very high51 Ų5171.8 Ų71.827%0.27337%0.37SS..Hα-helixtrans-68.1-38.5175.8-75.1-41.4000111.1R89 T96 K97 P98 A103 V104R89-D100 HydrophobicContact CB-CB 4.25Å; R89-D100 HydrophobicContact CG-CB 4.29Å; R89-D100 IonicContact NE-OD1 3.87Å; T96-D100 HydrophobicContact CG2-CB 4.5Å; K97-D100 HydrophobicContact CB-CB 4.48Å; K97-D100 PolarHBondContact O-N 3.38Å; P98-D100 VanDerWaalsContact C-N 3.33Å; P98-D100 PolarHBondContact O-N 2.88Å; D100-A103 PolarHBondContact O-N 2.92Å; D100-V104 WeakPolarHBondContact O-CB 3.44Å; D100-V104 VanDerWaalsContact O-CG2 3.28Å; D100-V104 WeakPolarHBondContact O-CG2 3.34Å; D100-V104 PolarHBondContact O-N 3.24Å
101M98.4Very high97.9Very high55 Ų5567.4 Ų67.427%0.27135%0.347SS..Hα-helixtrans-60.3-49.4174.5-57.7-178.5-169.700110.8L93 T96 K97 P98 V104 L105 A148L93-M101 HydrophobicContact CD1-CE 3.76Å; T96-M101 HydrophobicContact CG2-CE 3.78Å; T96-M101 HydrophobicContact CG2-CG 3.52Å; T96-M101 WeakPolarHBondContact O-CE 3.35Å; K97-M101 PolarHBondContact O-N 2.85Å; K97-M101 VanDerWaalsContact O-N 3.15Å; P98-M101 WeakPolarHBondContact O-CB 3.3Å; P98-M101 PolarHBondContact O-N 2.95Å; M101-V104 PolarHBondContact O-N 3.32Å; M101-L105 WeakPolarHBondContact O-CG 3.47Å; M101-L105 PolarHBondContact O-N 3.18Å; M101-A148 HydrophobicContact CB-CB 4.29Å; M101-A148 HydrophobicContact CG-CB 4.25Å
102V98.4Very high98.2Very high74 Ų7466.2 Ų66.245%0.44834%0.337SS..Hα-helixtrans-62.7-44.4179.6173.80000110.6P98 E99 V104 L105 H106P98-V102 WeakPolarHBondContact O-CG2 3.43Å; P98-V102 PolarHBondContact O-N 3Å; E99-V102 PolarHBondContact O-N 3.18Å; V102-V104 VanDerWaalsContact C-N 3.34Å; V102-V104 PolarHBondContact O-N 3.24Å; V102-L105 PolarHBondContact O-N 3.02Å; V102-H106 VanDerWaalsContact O-CB 3.3Å; V102-H106 WeakPolarHBondContact O-CB 3.43Å; V102-H106 PolarHBondContact O-CD2 2.84Å; V102-H106 VanDerWaalsContact O-CD2 3.3Å; V102-H106 PolarHBondContact O-N 3.49Å
103A98.4Very high98.3Very high37 Ų3765.1 Ų65.131%0.30633%0.33SS..Hα-helixtrans-59.7-43.3178.100000112.3I87 E99 D100 T107I87-A103 HydrophobicContact CD1-CB 4.13Å; E99-A103 VanDerWaalsContact O-CB 3.31Å; E99-A103 WeakPolarHBondContact O-CB 3.14Å; E99-A103 PolarHBondContact O-N 2.96Å; D100-A103 PolarHBondContact O-N 2.92Å; A103-T107 WeakPolarHBondContact O-CB 3.44Å; A103-T107 PolarHBondContact O-N 3.16Å; A103-T107 PolarHBondContact O-OG1 3.24Å
104V98.6Very high98.4Very high1 Ų160.9 Ų60.91%0.00631%0.307CS..Hα-helixtrans-63.4-47.7176.5168.80000110.7I87 R89 D100 M101 V102 T107 N108 A148I87-V104 HydrophobicContact CD1-CG2 4.3Å; I87-V104 HydrophobicContact CG1-CG2 4.23Å; R89-V104 HydrophobicContact CB-CG2 4.01Å; R89-V104 HydrophobicContact CG-CG2 3.92Å; D100-V104 WeakPolarHBondContact O-CB 3.44Å; D100-V104 VanDerWaalsContact O-CG2 3.28Å; D100-V104 WeakPolarHBondContact O-CG2 3.34Å; D100-V104 PolarHBondContact O-N 3.24Å; M101-V104 PolarHBondContact O-N 3.32Å; V102-V104 VanDerWaalsContact C-N 3.34Å; V102-V104 PolarHBondContact O-N 3.24Å; V104-T107 PolarHBondContact O-N 3.3Å; V104-N108 WeakPolarHBondContact O-CB 3.48Å; V104-N108 PolarHBondContact O-N 2.96Å; V104-A148 HydrophobicContact CB-CB 4.47Å; V104-A148 HydrophobicContact CG1-CB 4.31Å
105L98.8Very high98.4Very high64 Ų6452.8 Ų52.834%0.33527%0.265SS..Hα-helixtrans-63.7-43.3178.4-69170.6000112M101 V102 T107 L109 L110M101-L105 WeakPolarHBondContact O-CG 3.47Å; M101-L105 PolarHBondContact O-N 3.18Å; V102-L105 PolarHBondContact O-N 3.02Å; L105-T107 PolarHBondContact O-N 3.06Å; L105-L109 WeakPolarHBondContact O-CA 3.4Å; L105-L109 WeakPolarHBondContact O-CB 3.45Å; L105-L109 PolarHBondContact O-N 2.98Å; L105-L110 PolarHBondContact O-N 2.88Å
106H98.7Very high98.5Very high79 Ų7943.3 Ų43.337%0.36623%0.23SC..Iπ-helixtrans-64.5-42.2-180-81.4-146.1000111.9V102 L110 G111V102-H106 VanDerWaalsContact O-CB 3.3Å; V102-H106 WeakPolarHBondContact O-CB 3.43Å; V102-H106 PolarHBondContact O-CD2 2.84Å; V102-H106 VanDerWaalsContact O-CD2 3.3Å; V102-H106 PolarHBondContact O-N 3.49Å; H106-L110 WeakPolarHBondContact O-CB 3.22Å; H106-G111 PolarHBondContact O-N 2.98Å
107T98.8Very high98.6Very high11 Ų1148.5 Ų48.57%0.06725%0.247CC..Iπ-helixtrans-76.7-47.9-178.9-50.80000111.7V58 I87 A103 V104 L105 P112V58-T107 HydrophobicContact CG2-CG2 4.21Å; I87-T107 HydrophobicContact CG1-CG2 4.29Å; I87-T107 HydrophobicContact CG2-CG2 4.29Å; A103-T107 WeakPolarHBondContact O-CB 3.44Å; A103-T107 PolarHBondContact O-N 3.16Å; A103-T107 PolarHBondContact O-OG1 3.24Å; V104-T107 PolarHBondContact O-N 3.3Å; L105-T107 PolarHBondContact O-N 3.06Å; T107-P112 WeakPolarHBondContact O-CD 3.46Å
108N98.8Very high98.6Very high0 Ų043.4 Ų43.40%023%0.228CC..Iπ-helixtrans-90-21.1-166.3-63.2-0000114.1G86 I87 V104 P112 Y149 S152G86-N108 WeakPolarHBondContact CA-OD1 3.49Å; I87-N108 PolarHBondContact N-OD1 3.29Å; I87-N108 PolarHBondContact O-ND2 3.18Å; I87-N108 PolarHBondContact O-OD1 3.46Å; V104-N108 WeakPolarHBondContact O-CB 3.48Å; V104-N108 PolarHBondContact O-N 2.96Å; N108-P112 WeakPolarHBondContact O-CG 3.46Å; N108-Y149 WeakPolarHBondContact ND2-CD2 3.31Å; N108-S152 WeakPolarHBondContact CB-OG 3.37Å; N108-S152 PolarHBondContact ND2-OG 3.39Å
109L98.9Very high98.6Very high36 Ų3639.2 Ų39.219%0.18820%0.201CC..Iπ-helixtrans-117.5-59.6-178.2177.558.6000111.3L105 G111 P112 M113 G155 L156L105-L109 WeakPolarHBondContact O-CA 3.4Å; L105-L109 WeakPolarHBondContact O-CB 3.45Å; L105-L109 PolarHBondContact O-N 2.98Å; L109-G111 VanDerWaalsContact C-N 3.3Å; L109-G111 PolarHBondContact O-N 3.49Å; L109-P112 WeakPolarHBondContact O-CD 3.34Å; L109-M113 HydrophobicContact CD1-SD 4.24Å; L109-M113 HydrophobicContact CG-SD 4.2Å; L109-M113 VanDerWaalsContact O-CG 3.29Å; L109-M113 WeakPolarHBondContact O-CG 3.38Å; L109-M113 PolarHBondContact O-N 3.4Å; L109-G155 VanDerWaalsContact CD1-C 3.47Å; L109-L156 HydrophobicContact CD1-CB 4.3Å
110L98.9Very high98.6Very high59 Ų5934.9 Ų34.931%0.30918%0.181SC..Iπ-helixtrans-63.2-38.3179.4-179.362.4000111.5L105 H106 M113 L114L105-L110 PolarHBondContact O-N 2.88Å; H106-L110 WeakPolarHBondContact O-CB 3.22Å; L110-M113 WeakPolarHBondContact O-CA 3.45Å; L110-M113 WeakPolarHBondContact O-CB 3.39Å; L110-M113 PolarHBondContact O-N 2.96Å; L110-L114 HydrophobicContact CD1-CD1 4.34Å; L110-L114 HydrophobicContact CD1-CD2 4.41Å; L110-L114 HydrophobicContact CD1-CG 4.06Å; L110-L114 HydrophobicContact CD2-CD1 4.37Å; L110-L114 HydrophobicContact CG-CD1 3.87Å; L110-L114 HydrophobicContact CG-CG 4.08Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 3.13Å
111G98.9Very high98.4Very high1 Ų141.7 Ų41.71%0.0120%0.203CC..Hα-helixtrans-56.8-54178.300000114.1V58 H106 L109 M113 L114 T115V58-G111 WeakPolarHBondContact O-CA 3.4Å; H106-G111 PolarHBondContact O-N 2.98Å; L109-G111 VanDerWaalsContact C-N 3.3Å; L109-G111 PolarHBondContact O-N 3.49Å; G111-M113 VanDerWaalsContact C-N 3.26Å; G111-M113 PolarHBondContact O-N 3.01Å; G111-L114 PolarHBondContact O-N 3.33Å; G111-T115 WeakPolarHBondContact O-CG2 3.27Å; G111-T115 PolarHBondContact O-N 2.89Å; G111-T115 PolarHBondContact O-OG1 2.79Å
112P98.9Very high98.3Very high5 Ų539.1 Ų39.13%0.03219%0.19CC..Hα-helixtrans-55.5-36.3170-30.636.8000114.1N83 T107 N108 L109 T115 C116 L156N83-P112 HydrophobicContact CB-CB 4.18Å; N83-P112 HydrophobicContact CB-CG 4.19Å; T107-P112 WeakPolarHBondContact O-CD 3.46Å; N108-P112 WeakPolarHBondContact O-CG 3.46Å; L109-P112 WeakPolarHBondContact O-CD 3.34Å; P112-T115 VanDerWaalsContact CA-OG1 3.26Å; P112-T115 WeakPolarHBondContact CA-OG1 3.36Å; P112-T115 PolarHBondContact O-OG1 3.2Å; P112-T115 VanDerWaalsContact O-OG1 3.05Å; P112-C116 WeakPolarHBondContact O-CB 3.41Å; P112-C116 PolarHBondContact O-N 3.18Å; P112-C116 PolarHBondContact O-SG 2.94Å; P112-L156 HydrophobicContact CB-CD1 3.52Å; P112-L156 HydrophobicContact CG-CD1 3.86Å; P112-L156 HydrophobicContact CG-CD2 4.46Å
113M98.9Very high98.2Very high77 Ų7735.6 Ų35.638%0.37917%0.169SC..Hα-helixtrans-64.5-46.5176-64.5169.36700111.9L109 L110 G111 R117 F159L109-M113 HydrophobicContact CD1-SD 4.24Å; L109-M113 HydrophobicContact CG-SD 4.2Å; L109-M113 VanDerWaalsContact O-CG 3.29Å; L109-M113 WeakPolarHBondContact O-CG 3.38Å; L109-M113 PolarHBondContact O-N 3.4Å; L110-M113 WeakPolarHBondContact O-CA 3.45Å; L110-M113 WeakPolarHBondContact O-CB 3.39Å; L110-M113 PolarHBondContact O-N 2.96Å; G111-M113 VanDerWaalsContact C-N 3.26Å; G111-M113 PolarHBondContact O-N 3.01Å; M113-R117 WeakPolarHBondContact O-CB 3.42Å; M113-R117 PolarHBondContact O-N 3.18Å; M113-F159 HydrophobicContact CB-CE2 4.2Å; M113-F159 HydrophobicContact CB-CZ 4.2Å; M113-F159 HydrophobicContact CG-CD1 4.18Å; M113-F159 HydrophobicContact CG-CD2 3.71Å; M113-F159 HydrophobicContact CG-CE1 4.16Å; M113-F159 HydrophobicContact CG-CE2 3.72Å; M113-F159 HydrophobicContact CG-CG 3.94Å; M113-F159 HydrophobicContact CG-CZ 3.94Å
114L98.9Very high98.1Very high11 Ų1138.6 Ų38.66%0.05818%0.179CC..Hα-helixtrans-64.8-47.1179.5-69.2172.6000111.8E61 V64 L110 G111 R117 A118E61-L114 HydrophobicContact CB-CD1 4.23Å; E61-L114 HydrophobicContact CB-CD2 4.07Å; E61-L114 HydrophobicContact CG-CD2 4.04Å; V64-L114 HydrophobicContact CB-CB 4.5Å; V64-L114 HydrophobicContact CG1-CB 4.19Å; V64-L114 HydrophobicContact CG2-CB 4.38Å; L110-L114 HydrophobicContact CD1-CD1 4.34Å; L110-L114 HydrophobicContact CD1-CD2 4.41Å; L110-L114 HydrophobicContact CD1-CG 4.06Å; L110-L114 HydrophobicContact CD2-CD1 4.37Å; L110-L114 HydrophobicContact CG-CD1 3.87Å; L110-L114 HydrophobicContact CG-CG 4.08Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 3.13Å; G111-L114 PolarHBondContact O-N 3.33Å; L114-R117 PolarHBondContact O-N 2.88Å; L114-A118 WeakPolarHBondContact O-CB 3.28Å; L114-A118 PolarHBondContact O-N 2.87Å
115T98.9Very high97.8Very high0 Ų043.8 Ų43.80%020%0.199CC..Hα-helixtrans-65.5-42.7179.750.90000111.9V58 V64 F68 N83 G111 P112 A118 A119V58-T115 HydrophobicContact CB-CG2 4.23Å; V58-T115 HydrophobicContact CG1-CG2 3.94Å; V64-T115 HydrophobicContact CG1-CG2 4.02Å; V64-T115 HydrophobicContact CG2-CG2 4.23Å; F68-T115 HydrophobicContact CE2-CG2 3.91Å; F68-T115 HydrophobicContact CZ-CG2 4.11Å; N83-T115 PolarHBondContact ND2-OG1 2.8Å; N83-T115 PolarHBondContact OD1-OG1 3.39Å; G111-T115 WeakPolarHBondContact O-CG2 3.27Å; G111-T115 PolarHBondContact O-N 2.89Å; G111-T115 PolarHBondContact O-OG1 2.79Å; P112-T115 VanDerWaalsContact CA-OG1 3.26Å; P112-T115 WeakPolarHBondContact CA-OG1 3.36Å; P112-T115 PolarHBondContact O-OG1 3.2Å; P112-T115 VanDerWaalsContact O-OG1 3.05Å; T115-A118 PolarHBondContact O-N 2.98Å; T115-A119 WeakPolarHBondContact O-CB 3.29Å; T115-A119 PolarHBondContact O-N 2.78Å
116C98.9Very high97.6Very high1 Ų142.1 Ų42.11%0.00719%0.191CC..Hα-helixtrans-57.6-52171-760000110.7P112 A118 A119 L120 I131 F159 L163P112-C116 WeakPolarHBondContact O-CB 3.41Å; P112-C116 PolarHBondContact O-N 3.18Å; P112-C116 PolarHBondContact O-SG 2.94Å; C116-A118 VanDerWaalsContact C-N 3.29Å; C116-A118 PolarHBondContact O-N 3.38Å; C116-A119 PolarHBondContact O-N 3.47Å; C116-L120 VanDerWaalsContact O-CG 3.31Å; C116-L120 WeakPolarHBondContact O-CG 3.48Å; C116-L120 PolarHBondContact O-N 3.13Å; C116-I131 HydrophobicContact CB-CD1 4.49Å; C116-F159 HydrophobicContact CB-CE1 4.25Å; C116-F159 HydrophobicContact CB-CZ 3.83Å; C116-L163 HydrophobicContact CB-CD2 3.84Å
117R98.6Very high97.2Very high127 Ų12743.7 Ų43.748%0.47921%0.209SC..Hα-helixtrans-54.8-44.5179.9-171.6-174.569.4174.84.7112E61 M113 L114E61-R117 IonicContact OE1-CZ 3.46Å; E61-R117 IonicContact OE1-NH1 3.38Å; E61-R117 PolarHBondContact OE1-NH1 3.2Å; E61-R117 IonicContact OE1-NH2 2.93Å; E61-R117 PolarHBondContact OE1-NH2 2.77Å; M113-R117 WeakPolarHBondContact O-CB 3.42Å; M113-R117 PolarHBondContact O-N 3.18Å; L114-R117 PolarHBondContact O-N 2.88Å
118A98.6Very high96.8Very high15 Ų1544.4 Ų44.412%0.12422%0.218CC..Hα-helixtrans-68-33.8178.200000112.9V64 F68 L114 T115 C116V64-A118 HydrophobicContact CG1-CB 3.91Å; F68-A118 HydrophobicContact CB-CB 3.74Å; F68-A118 HydrophobicContact CD1-CB 4.04Å; F68-A118 HydrophobicContact CD2-CB 4.24Å; F68-A118 HydrophobicContact CG-CB 3.73Å; L114-A118 WeakPolarHBondContact O-CB 3.28Å; L114-A118 PolarHBondContact O-N 2.87Å; T115-A118 PolarHBondContact O-N 2.98Å; C116-A118 VanDerWaalsContact C-N 3.29Å; C116-A118 PolarHBondContact O-N 3.38Å
119A98.4Very high96.7Very high0 Ų044.4 Ų44.40%022%0.218CC..Hα-helixtrans-75-34.9-179.900000113.9F68 M78 L81 T115 C116 R121 S122 M123F68-A119 HydrophobicContact CD1-CB 4.05Å; F68-A119 HydrophobicContact CE1-CB 3.76Å; M78-A119 HydrophobicContact CE-CB 4.13Å; M78-A119 HydrophobicContact SD-CB 4.39Å; L81-A119 HydrophobicContact CD2-CB 3.84Å; T115-A119 WeakPolarHBondContact O-CB 3.29Å; T115-A119 PolarHBondContact O-N 2.78Å; C116-A119 PolarHBondContact O-N 3.47Å; A119-R121 VanDerWaalsContact C-N 3.31Å; A119-R121 PolarHBondContact O-N 3.03Å; A119-R121 VanDerWaalsContact O-N 3.16Å; A119-S122 WeakPolarHBondContact O-CB 3.39Å; A119-S122 PolarHBondContact O-N 3.41Å; A119-M123 HydrophobicContact CB-CG 4.32Å; A119-M123 HydrophobicContact CB-SD 3.85Å; A119-M123 WeakPolarHBondContact O-CG 3.4Å; A119-M123 PolarHBondContact O-N 2.99Å
120L97.3Very high96.7Very high29 Ų2942.8 Ų42.815%0.15221%0.21CC..Hα-helixtrans-53-44.1-168.6-78.2176.1000113.4C116 S122 M123 L124 L163 V167 I172C116-L120 VanDerWaalsContact O-CG 3.31Å; C116-L120 WeakPolarHBondContact O-CG 3.48Å; C116-L120 PolarHBondContact O-N 3.13Å; L120-S122 PolarHBondContact O-N 2.76Å; L120-M123 PolarHBondContact O-N 2.88Å; L120-L124 VanDerWaalsContact O-CG 3.3Å; L120-L124 WeakPolarHBondContact O-CG 3.14Å; L120-L124 PolarHBondContact O-N 2.77Å; L120-L163 HydrophobicContact CD1-CD1 4.03Å; L120-V167 HydrophobicContact CD1-CG1 4.41Å; L120-V167 HydrophobicContact CD2-CG1 3.78Å; L120-I172 HydrophobicContact CD2-CD1 4.29Å
121R93.5Very high96.7Very high194 Ų19440 Ų4073%0.73220%0.195SC*.Hα-helixtrans-59.4-33-178.6-172.3175.1-178.6175.71.2112.5A119 R125A119-R121 VanDerWaalsContact C-N 3.31Å; A119-R121 PolarHBondContact O-N 3.03Å; A119-R121 VanDerWaalsContact O-N 3.16Å; R121-R125 PolarHBondContact O-NH1 3.31Å
122S95.3Very high96.7Very high0 Ų039.9 Ų39.90%020%0.195CC..Hα-helixtrans-81.8-41.9176.8173.40000112D77 M78 A119 L120 L124 R125D77-S122 WeakPolarHBondContact CA-OG 3.36Å; D77-S122 PolarHBondContact OD1-OG 3.27Å; M78-S122 WeakPolarHBondContact CE-OG 3.46Å; M78-S122 PolarHBondContact N-OG 3.49Å; A119-S122 WeakPolarHBondContact O-CB 3.39Å; A119-S122 PolarHBondContact O-N 3.41Å; L120-S122 PolarHBondContact O-N 2.76Å; S122-L124 VanDerWaalsContact C-N 3.26Å; S122-L124 PolarHBondContact O-N 3.23Å; S122-R125 PolarHBondContact O-N 2.94Å
123M97.7Very high96.7Very high1 Ų139.7 Ų39.71%0.00519%0.193CC..Hα-helixtrans-63.9-29.3178.9-64.5-178.479.700113.1M78 L81 A119 L120 R125 T126 A129 A130 I131 I172M78-M123 HydrophobicContact CB-CG 4.17Å; L81-M123 HydrophobicContact CB-SD 4.43Å; A119-M123 HydrophobicContact CB-CG 4.32Å; A119-M123 HydrophobicContact CB-SD 3.85Å; A119-M123 WeakPolarHBondContact O-CG 3.4Å; A119-M123 PolarHBondContact O-N 2.99Å; L120-M123 PolarHBondContact O-N 2.88Å; M123-R125 PolarHBondContact O-N 3.03Å; M123-R125 VanDerWaalsContact O-N 3.14Å; M123-T126 PolarHBondContact O-N 3.29Å; M123-A129 HydrophobicContact CB-CB 3.9Å; M123-A129 HydrophobicContact CE-CB 3.56Å; M123-A129 HydrophobicContact CG-CB 4.29Å; M123-A130 WeakPolarHBondContact CE-O 3.5Å; M123-I131 HydrophobicContact CE-CD1 4.26Å; M123-I131 HydrophobicContact CE-CG1 3.56Å; M123-I131 HydrophobicContact SD-CD1 3.95Å; M123-I131 HydrophobicContact SD-CG1 3.83Å; M123-I172 HydrophobicContact CB-CD1 3.92Å; M123-I172 HydrophobicContact CE-CG2 4.19Å
124L95.5Very high96.7Very high99 Ų9936.5 Ų36.552%0.51818%0.178SC..THydrogen-bonded Turntrans-59.1-22.7173.8-75.2171.5000113.8L120 S122 R170 I172L120-L124 VanDerWaalsContact O-CG 3.3Å; L120-L124 WeakPolarHBondContact O-CG 3.14Å; L120-L124 PolarHBondContact O-N 2.77Å; S122-L124 VanDerWaalsContact C-N 3.26Å; S122-L124 PolarHBondContact O-N 3.23Å; L124-R170 HydrophobicContact CD2-CB 3.64Å; L124-R170 HydrophobicContact CD2-CG 3.64Å; L124-I172 HydrophobicContact CD2-CD1 3.97Å; L124-I172 HydrophobicContact CG-CD1 4.29Å
125R93.7Very high96.7Very high111 Ų11136 Ų3642%0.41918%0.175SC..THydrogen-bonded Turntrans-91.3-7.1176.4-64.2-173.3-66.7-86.10.4113.2D77 R121 S122 M123D77-R125 IonicContact OD1-CZ 2.93Å; D77-R125 VanDerWaalsContact OD1-CZ 3.28Å; D77-R125 IonicContact OD1-NE 3.37Å; D77-R125 PolarHBondContact OD1-NE 2.88Å; D77-R125 IonicContact OD1-NH2 3.1Å; D77-R125 PolarHBondContact OD1-NH2 2.93Å; D77-R125 WeakPolarHBondContact OD2-CB 3.5Å; D77-R125 IonicContact OD2-NE 3.48Å; D77-R125 PolarHBondContact OD2-NE 2.88Å; D77-R125 VanDerWaalsContact OD2-NE 3.1Å; R121-R125 PolarHBondContact O-NH1 3.31Å; S122-R125 PolarHBondContact O-N 2.94Å; M123-R125 PolarHBondContact O-N 3.03Å; M123-R125 VanDerWaalsContact O-N 3.14Å
126T94.1Very high96.7Very high28 Ų2836.6 Ų36.617%0.17218%0.179CC..SBendtrans-110.6109.9-175.3-57.40000110.8D77 M78 A79 M123 G128 A129D77-T126 WeakPolarHBondContact CB-OG1 3.44Å; M78-T126 WeakPolarHBondContact O-CB 3.29Å; M78-T126 PolarHBondContact O-OG1 3.46Å; A79-T126 HydrophobicContact CB-CG2 3.78Å; M123-T126 PolarHBondContact O-N 3.29Å; T126-G128 PolarHBondContact O-N 3.21Å; T126-A129 HydrophobicContact CG2-CB 4.48Å; T126-A129 WeakPolarHBondContact O-CB 3.2Å; T126-A129 PolarHBondContact O-N 3.02Å
127P89.3Confident96.6Very high113 Ų11336.8 Ų36.873%0.73418%0.181SC*.THydrogen-bonded Turntrans-60.7133.7176.6-23.934.3000112.1A129P127-A129 VanDerWaalsContact C-N 3.31Å; P127-A129 PolarHBondContact O-N 3.23Å
128G90.4Very high96.5Very high26 Ų2631.5 Ų31.527%0.26816%0.162SC..THydrogen-bonded Turntrans73.921.1177.100000114.3T126T126-G128 PolarHBondContact O-N 3.21Å
129A97.9Very high96.4Very high0 Ų031.3 Ų31.30%016%0.162CC..  trans-61.5147.9177.600000111.9A79 M123 T126 P127 I172 R173A79-A129 CarbonylContact O-C 3.55Å; A79-A129 WeakPolarHBondContact O-CA 3.21Å; A79-A129 WeakPolarHBondContact O-CB 3.25Å; M123-A129 HydrophobicContact CB-CB 3.9Å; M123-A129 HydrophobicContact CE-CB 3.56Å; M123-A129 HydrophobicContact CG-CB 4.29Å; T126-A129 HydrophobicContact CG2-CB 4.48Å; T126-A129 WeakPolarHBondContact O-CB 3.2Å; T126-A129 PolarHBondContact O-N 3.02Å; P127-A129 VanDerWaalsContact C-N 3.31Å; P127-A129 PolarHBondContact O-N 3.23Å; A129-I172 HydrophobicContact CB-CG1 4.4Å; A129-I172 WeakPolarHBondContact O-CA 3.32Å; A129-R173 PolarHBondContact O-N 3.26Å
130A98.8Very high96.4Very high1 Ų134.3 Ų34.31%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-145.4145-173.700000113.2A79 Y80 L81 M123 R173 L218A79-A130 PolarHBondContact O-N 3.44Å; Y80-A130 VanDerWaalsContact CA-O 3.32Å; Y80-A130 WeakPolarHBondContact CA-O 3.31Å; Y80-A130 HydrophobicContact CD1-CB 3.98Å; Y80-A130 HydrophobicContact CE1-CB 4.19Å; L81-A130 PolarHBondContact N-O 3.5Å; M123-A130 WeakPolarHBondContact CE-O 3.5Å; A130-R173 CarbonylContact C-O 3.46Å; A130-R173 VanDerWaalsContact CA-O 3.29Å; A130-R173 WeakPolarHBondContact CA-O 3.41Å; A130-R173 HydrophobicContact CB-CB 4.38Å; A130-L218 HydrophobicContact CB-CD2 3.84Å
131I98.9Very high96.2Very high0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-119.9132.8178.1-52.9-179.5000108.5L81 C116 M123 L163 R173 V174 N175L81-I131 HydrophobicContact CB-CG1 4.25Å; L81-I131 HydrophobicContact CB-CG2 4.37Å; L81-I131 HydrophobicContact CD2-CD1 4.48Å; L81-I131 HydrophobicContact CD2-CG2 4.2Å; L81-I131 HydrophobicContact CG-CG2 4.35Å; L81-I131 CarbonylContact O-C 3.35Å; L81-I131 VanDerWaalsContact O-CA 3.29Å; L81-I131 WeakPolarHBondContact O-CA 3.32Å; C116-I131 HydrophobicContact CB-CD1 4.49Å; M123-I131 HydrophobicContact CE-CD1 4.26Å; M123-I131 HydrophobicContact CE-CG1 3.56Å; M123-I131 HydrophobicContact SD-CD1 3.95Å; M123-I131 HydrophobicContact SD-CG1 3.83Å; I131-L163 HydrophobicContact CD1-CD2 4.09Å; I131-R173 PolarHBondContact N-O 3.44Å; I131-V174 HydrophobicContact CB-CB 4.39Å; I131-V174 HydrophobicContact CB-CG1 4.1Å; I131-V174 HydrophobicContact CB-CG2 4.13Å; I131-V174 HydrophobicContact CD1-CG2 4Å; I131-V174 HydrophobicContact CG1-CG2 4.24Å; I131-V174 HydrophobicContact CG2-CG1 4.3Å; I131-V174 WeakPolarHBondContact O-CA 3.46Å; I131-N175 PolarHBondContact O-N 3.14Å
132V98.9Very high96.3Very high0 Ų030.5 Ų30.50%018%0.175CC..EExtended strand (participates in β ladder)trans-122.1119.7168.1178.20000109.9L81 V82 N83 I134 N175 L177 V214 L217 L218L81-V132 PolarHBondContact O-N 2.93Å; V82-V132 WeakPolarHBondContact CA-O 3.36Å; N83-V132 PolarHBondContact N-O 3.06Å; V132-I134 HydrophobicContact CG1-CD1 4.2Å; V132-N175 WeakPolarHBondContact CA-O 3.42Å; V132-L177 HydrophobicContact CG1-CB 4.26Å; V132-V214 HydrophobicContact CB-CG1 4.08Å; V132-V214 HydrophobicContact CG1-CB 4.46Å; V132-V214 HydrophobicContact CG1-CG1 4.04Å; V132-V214 HydrophobicContact CG1-CG2 4.13Å; V132-V214 HydrophobicContact CG2-CG1 4.26Å; V132-L217 HydrophobicContact CG1-CD1 4.1Å; V132-L217 HydrophobicContact CG2-CB 3.66Å; V132-L217 HydrophobicContact CG2-CD1 4.33Å; V132-L218 HydrophobicContact CB-CD2 4.48Å; V132-L218 HydrophobicContact CG2-CD2 3.72Å; V132-L218 HydrophobicContact CG2-CG 3.86Å
133N98.9Very high96.3Very high0 Ų033.8 Ų33.80%019%0.193CC..EExtended strand (participates in β ladder)trans-93132.6172.8-65.6-40.6000109.9N83 G135 L156 T160 N175 L176 L177N83-N133 PolarHBondContact ND2-OD1 2.93Å; N133-G135 PolarHBondContact O-N 2.72Å; N133-L156 HydrophobicContact CB-CD1 4.13Å; N133-L156 HydrophobicContact CB-CD2 4.04Å; N133-L156 HydrophobicContact CB-CG 4.04Å; N133-T160 PolarHBondContact ND2-OG1 3.01Å; N133-N175 PolarHBondContact N-O 3.05Å; N133-L176 HydrophobicContact CB-CD1 4.47Å; N133-L176 VanDerWaalsContact O-CA 3.32Å; N133-L176 WeakPolarHBondContact O-CA 3.46Å; N133-L177 PolarHBondContact O-N 3.02Å
134I98.8Very high96.1Very high11 Ų1138.6 Ų38.66%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-88.2102.8175.5-51.2-56.9000109.4I14 V82 N83 A84 V132 K153 L177 P179 V214I14-I134 HydrophobicContact CD1-CG2 4.37Å; I14-I134 HydrophobicContact CG2-CD1 4.38Å; V82-I134 HydrophobicContact CG1-CD1 4.28Å; V82-I134 HydrophobicContact CG1-CG1 4.36Å; N83-I134 WeakPolarHBondContact O-CB 3.28Å; N83-I134 WeakPolarHBondContact O-CG1 3.42Å; N83-I134 PolarHBondContact O-N 3.38Å; A84-I134 HydrophobicContact CB-CG1 3.76Å; V132-I134 HydrophobicContact CG1-CD1 4.2Å; I134-K153 PolarHBondContact O-NZ 3.48Å; I134-L177 HydrophobicContact CD1-CB 4.11Å; I134-L177 HydrophobicContact CD1-CD2 4.09Å; I134-P179 HydrophobicContact CG2-CG 4.16Å; I134-V214 HydrophobicContact CD1-CG2 3.68Å
135G98.3Very high96.1Very high1 Ų134.5 Ų34.51%0.0121%0.208CC..  trans-83.6-143.5174.800000113.1N133 L177N133-G135 PolarHBondContact O-N 2.72Å; G135-L177 WeakPolarHBondContact CA-O 3.47Å; G135-L177 PolarHBondContact N-O 3.31Å
136S98.1Very high96.2Very high11 Ų1130 Ų308%0.07719%0.191CC..  trans-168.2151.3171177.40000109.1V138 G139S136-V138 PolarHBondContact O-N 3.36Å; S136-V138 PolarHBondContact OG-N 2.96Å; S136-V138 VanDerWaalsContact OG-N 3.1Å; S136-G139 PolarHBondContact O-N 2.93Å
137V97.3Very high96.4Very high6 Ų631.8 Ų31.84%0.03620%0.204CC..Hα-helixtrans-56.6-26.2166.6-64.50000112.6G139 L140 K141 P179 V229 D231 L234V137-G139 PolarHBondContact O-N 3.13Å; V137-L140 WeakPolarHBondContact O-CB 3.14Å; V137-L140 PolarHBondContact O-N 2.94Å; V137-K141 WeakPolarHBondContact O-CG 3.24Å; V137-K141 PolarHBondContact O-N 3.13Å; V137-P179 PolarHBondContact N-O 2.95Å; V137-V229 HydrophobicContact CG1-CG1 3.7Å; V137-D231 HydrophobicContact CG1-CB 3.69Å; V137-L234 HydrophobicContact CG2-CD2 4.4Å
138V96.9Very high96.8Very high15 Ų1527.2 Ų27.29%0.09118%0.176CC..Hα-helixtrans-63.7-27.9175.3-179.50000111.8S136 L140 G142 N143 Q146 Y149S136-V138 PolarHBondContact O-N 3.36Å; S136-V138 PolarHBondContact OG-N 2.96Å; S136-V138 VanDerWaalsContact OG-N 3.1Å; V138-L140 VanDerWaalsContact C-N 3.27Å; V138-L140 PolarHBondContact O-N 2.94Å; V138-G142 WeakPolarHBondContact O-CA 3.35Å; V138-G142 PolarHBondContact O-N 2.86Å; V138-N143 HydrophobicContact CB-CB 4.44Å; V138-N143 HydrophobicContact CG1-CB 3.76Å; V138-N143 HydrophobicContact CG2-CB 3.95Å; V138-Q146 HydrophobicContact CG1-CB 4.03Å; V138-Y149 HydrophobicContact CB-CD1 4.11Å; V138-Y149 HydrophobicContact CB-CE1 4.08Å; V138-Y149 HydrophobicContact CG1-CD1 3.9Å; V138-Y149 HydrophobicContact CG1-CE1 4.37Å; V138-Y149 HydrophobicContact CG2-CE1 4.44Å
139G97.1Very high97.2Very high11 Ų1127.1 Ų27.111%0.11317%0.168CC..Hα-helixtrans-70.6-23171.800000113.6S136 V137 A154S136-G139 PolarHBondContact O-N 2.93Å; V137-G139 PolarHBondContact O-N 3.13Å; G139-A154 WeakPolarHBondContact O-CB 3.27Å
140L96.8Very high97.2Very high64 Ų6427.6 Ų27.634%0.33517%0.173SC..Hα-helixtrans-92.2-47.5-176.7-52.7-178.5000112V137 V138 E157 A178 V227 V229V137-L140 WeakPolarHBondContact O-CB 3.14Å; V137-L140 PolarHBondContact O-N 2.94Å; V138-L140 VanDerWaalsContact C-N 3.27Å; V138-L140 PolarHBondContact O-N 2.94Å; L140-E157 WeakPolarHBondContact CD2-OE2 3.36Å; L140-A178 HydrophobicContact CD1-CB 3.97Å; L140-V227 HydrophobicContact CD1-CG1 4.11Å; L140-V227 HydrophobicContact CD2-CG1 4.3Å; L140-V229 HydrophobicContact CD1-CG2 3.72Å
141K94.7Very high97.2Very high107 Ų10730.2 Ų30.247%0.46519%0.194SC..Hα-helixtrans-112.3-7.4-173.669.7175.3-174.8166.60114.7V137 L234 Q235V137-K141 WeakPolarHBondContact O-CG 3.24Å; V137-K141 PolarHBondContact O-N 3.13Å; K141-L234 PolarHBondContact NZ-O 3.21Å; K141-Q235 HydrophobicContact CD-CB 4.38Å
142G94.8Very high97.2Very high35 Ų3530.2 Ų30.236%0.36119%0.194SC..  trans76171.7-171.700000113.4V138V138-G142 WeakPolarHBondContact O-CA 3.35Å; V138-G142 PolarHBondContact O-N 2.86Å
143N94.5Very high97.2Very high70 Ų7030.9 Ų30.937%0.37420%0.197SC..  trans-158.3139.7167.9-175.841.8000109.3V138 G145 Q146V138-N143 HydrophobicContact CB-CB 4.44Å; V138-N143 HydrophobicContact CG1-CB 3.76Å; V138-N143 HydrophobicContact CG2-CB 3.95Å; N143-G145 PolarHBondContact O-N 3.44Å; N143-Q146 HydrophobicContact CB-CB 4.32Å; N143-Q146 HydrophobicContact CB-CG 4.3Å; N143-Q146 PolarHBondContact ND2-OE1 2.87Å; N143-Q146 PolarHBondContact O-N 2.94Å
144S94.8Very high97.2Very high101 Ų10132.8 Ų32.871%0.70621%0.213SC*.THydrogen-bonded Turntrans-62.8137.7178.9-172.50000110.7Q146S144-Q146 VanDerWaalsContact C-N 3.31Å
145G95.3Very high97.2Very high13 Ų1333.6 Ų33.613%0.13422%0.224CC..THydrogen-bonded Turntrans80.36-175.900000115.2D90 A91 N143D90-G145 WeakPolarHBondContact CA-O 3.39Å; A91-G145 CarbonylContact C-O 3.57Å; A91-G145 PolarHBondContact N-O 3.31Å; A91-G145 CarbonylContact O-C 3.59Å; A91-G145 VanDerWaalsContact O-C 3.27Å; A91-G145 WeakPolarHBondContact O-CA 3.36Å; N143-G145 PolarHBondContact O-N 3.44Å
146Q96.7Very high97.2Very high17 Ų1733.6 Ų33.68%0.07922%0.224CC..  trans-128.531.6-174.7-57.7-155.7-84.300113.7N88 D90 V138 N143 S144 A148 Y149 G150N88-Q146 PolarHBondContact ND2-NE2 2.91Å; N88-Q146 PolarHBondContact OD1-NE2 3.36Å; D90-Q146 VanDerWaalsContact OD1-CG 3.29Å; D90-Q146 WeakPolarHBondContact OD1-CG 3.38Å; D90-Q146 PolarHBondContact OD1-NE2 3.05Å; V138-Q146 HydrophobicContact CG1-CB 4.03Å; N143-Q146 HydrophobicContact CB-CB 4.32Å; N143-Q146 HydrophobicContact CB-CG 4.3Å; N143-Q146 PolarHBondContact ND2-OE1 2.87Å; N143-Q146 PolarHBondContact O-N 2.94Å; S144-Q146 VanDerWaalsContact C-N 3.31Å; Q146-A148 PolarHBondContact O-N 2.84Å; Q146-Y149 PolarHBondContact O-N 3.16Å; Q146-G150 PolarHBondContact O-N 3.29Å
147C97.9Very high97.2Very high65 Ų6534.6 Ų34.644%0.43923%0.227SC..Hα-helixtrans-55.7-49.1-174.3-63.70000113.4L93 A151L93-C147 HydrophobicContact CD1-CB 4.17Å; C147-A151 WeakPolarHBondContact O-CB 3.2Å; C147-A151 PolarHBondContact O-N 2.97Å
148A97.9Very high97.3Very high17 Ų1736 Ų3614%0.1424%0.243CC..Hα-helixtrans-67.2-39178.800000112.4M101 V104 Q146 S152M101-A148 HydrophobicContact CB-CB 4.29Å; M101-A148 HydrophobicContact CG-CB 4.25Å; V104-A148 HydrophobicContact CB-CB 4.47Å; V104-A148 HydrophobicContact CG1-CB 4.31Å; Q146-A148 PolarHBondContact O-N 2.84Å; A148-S152 WeakPolarHBondContact O-CB 3.47Å; A148-S152 PolarHBondContact O-N 2.96Å
149Y98.3Very high97.4Very high25 Ų2537.2 Ų37.210%0.09825%0.247CC..Hα-helixtrans-66.4-48.5177.3-178.2-92.9000111.4I87 N88 N108 V138 Q146 A151 S152 K153I87-Y149 WeakPolarHBondContact O-CD2 3.29Å; N88-Y149 HydrophobicContact CB-CD2 4.06Å; N88-Y149 HydrophobicContact CB-CE2 4.18Å; N88-Y149 WeakPolarHBondContact OD1-CD2 3.26Å; N108-Y149 WeakPolarHBondContact ND2-CD2 3.31Å; V138-Y149 HydrophobicContact CB-CD1 4.11Å; V138-Y149 HydrophobicContact CB-CE1 4.08Å; V138-Y149 HydrophobicContact CG1-CD1 3.9Å; V138-Y149 HydrophobicContact CG1-CE1 4.37Å; V138-Y149 HydrophobicContact CG2-CE1 4.44Å; Q146-Y149 PolarHBondContact O-N 3.16Å; Y149-A151 VanDerWaalsContact C-N 3.35Å; Y149-A151 PolarHBondContact O-N 2.97Å; Y149-S152 WeakPolarHBondContact O-CB 3.38Å; Y149-S152 PolarHBondContact O-N 3.3Å; Y149-S152 VanDerWaalsContact O-N 3.1Å; Y149-S152 PolarHBondContact O-OG 3.04Å; Y149-K153 HydrophobicContact CD1-CG 4.25Å; Y149-K153 HydrophobicContact CE1-CG 3.85Å; Y149-K153 HydrophobicContact CE2-CG 4.42Å; Y149-K153 WeakPolarHBondContact O-CG 3.47Å; Y149-K153 PolarHBondContact O-N 3.11Å
150G98.2Very high97.5Very high10 Ų1036.7 Ų36.710%0.10324%0.242CC..Hα-helixtrans-56.4-46.9174.300000111.8Q146 S152 K153 A154Q146-G150 PolarHBondContact O-N 3.29Å; G150-S152 VanDerWaalsContact C-N 3.33Å; G150-S152 PolarHBondContact O-N 3Å; G150-K153 PolarHBondContact O-N 3.04Å; G150-A154 VanDerWaalsContact O-CB 3.32Å; G150-A154 WeakPolarHBondContact O-CB 3.33Å; G150-A154 PolarHBondContact O-N 3.36Å
151A98.6Very high97.6Very high55 Ų5539 Ų3946%0.45525%0.246SC..Hα-helixtrans-58.5-42.7174.300000112.4C147 Y149 K153 G155C147-A151 WeakPolarHBondContact O-CB 3.2Å; C147-A151 PolarHBondContact O-N 2.97Å; Y149-A151 VanDerWaalsContact C-N 3.35Å; Y149-A151 PolarHBondContact O-N 2.97Å; A151-K153 VanDerWaalsContact C-N 3.35Å; A151-K153 PolarHBondContact O-N 2.98Å; A151-G155 PolarHBondContact O-N 2.93Å
152S98.7Very high97.8Very high0 Ų037.6 Ų37.60%025%0.25CC..Hα-helixtrans-63-39.5177.978.70000112.8N108 A148 Y149 G150 L156N108-S152 WeakPolarHBondContact CB-OG 3.37Å; N108-S152 PolarHBondContact ND2-OG 3.39Å; A148-S152 WeakPolarHBondContact O-CB 3.47Å; A148-S152 PolarHBondContact O-N 2.96Å; Y149-S152 WeakPolarHBondContact O-CB 3.38Å; Y149-S152 PolarHBondContact O-N 3.3Å; Y149-S152 VanDerWaalsContact O-N 3.1Å; Y149-S152 PolarHBondContact O-OG 3.04Å; G150-S152 VanDerWaalsContact C-N 3.33Å; G150-S152 PolarHBondContact O-N 3Å; S152-L156 WeakPolarHBondContact O-CB 3.46Å; S152-L156 PolarHBondContact O-N 3.1Å; S152-L156 VanDerWaalsContact O-N 3.14Å
153K98.4Very high98Very high14 Ų1436.3 Ų36.36%0.06124%0.235CC..Hα-helixtrans-80.4-33.2-178.5-62.2-50.6-166.2173.70112.7I134 Y149 G150 A151 L156 E157I134-K153 PolarHBondContact O-NZ 3.48Å; Y149-K153 HydrophobicContact CD1-CG 4.25Å; Y149-K153 HydrophobicContact CE1-CG 3.85Å; Y149-K153 HydrophobicContact CE2-CG 4.42Å; Y149-K153 WeakPolarHBondContact O-CG 3.47Å; Y149-K153 PolarHBondContact O-N 3.11Å; G150-K153 PolarHBondContact O-N 3.04Å; A151-K153 VanDerWaalsContact C-N 3.35Å; A151-K153 PolarHBondContact O-N 2.98Å; K153-L156 HydrophobicContact CD-CD2 4.44Å; K153-L156 PolarHBondContact O-N 2.86Å; K153-E157 PolarHBondContact O-N 3.2Å
154A98.7Very high98.2Very high41 Ų4133.1 Ų33.134%0.33922%0.218SC..Hα-helixtrans-65.7-43.917000000111.5G139 G150 L156 E157 G158G139-A154 WeakPolarHBondContact O-CB 3.27Å; G150-A154 VanDerWaalsContact O-CB 3.32Å; G150-A154 WeakPolarHBondContact O-CB 3.33Å; G150-A154 PolarHBondContact O-N 3.36Å; A154-L156 PolarHBondContact O-N 2.78Å; A154-E157 WeakPolarHBondContact O-CB 3.48Å; A154-E157 PolarHBondContact O-N 3.06Å; A154-G158 PolarHBondContact O-N 3.43Å
155G98.8Very high98.4Very high28 Ų2836.9 Ų36.929%0.28922%0.222SC..Hα-helixtrans-59.8-36.8174.200000112.3L109 A151 E157 G158 F159L109-G155 VanDerWaalsContact CD1-C 3.47Å; A151-G155 PolarHBondContact O-N 2.93Å; G155-E157 VanDerWaalsContact C-N 3.34Å; G155-E157 PolarHBondContact O-N 3.46Å; G155-G158 PolarHBondContact O-N 2.97Å; G155-F159 WeakPolarHBondContact O-CB 3.18Å; G155-F159 PolarHBondContact O-N 2.94Å
156L98.8Very high98.5Very high1 Ų142.8 Ų42.81%0.00525%0.246CC..Hα-helixtrans-67.6-32.9179-170.861.7000112.6L109 P112 N133 S152 K153 A154 F159 T160 L176L109-L156 HydrophobicContact CD1-CB 4.3Å; P112-L156 HydrophobicContact CB-CD1 3.52Å; P112-L156 HydrophobicContact CG-CD1 3.86Å; P112-L156 HydrophobicContact CG-CD2 4.46Å; N133-L156 HydrophobicContact CB-CD1 4.13Å; N133-L156 HydrophobicContact CB-CD2 4.04Å; N133-L156 HydrophobicContact CB-CG 4.04Å; S152-L156 WeakPolarHBondContact O-CB 3.46Å; S152-L156 PolarHBondContact O-N 3.1Å; S152-L156 VanDerWaalsContact O-N 3.14Å; K153-L156 HydrophobicContact CD-CD2 4.44Å; K153-L156 PolarHBondContact O-N 2.86Å; A154-L156 PolarHBondContact O-N 2.78Å; L156-F159 HydrophobicContact CD1-CD1 3.98Å; L156-T160 VanDerWaalsContact O-CB 3.32Å; L156-T160 WeakPolarHBondContact O-CB 3.19Å; L156-T160 PolarHBondContact O-N 2.79Å; L156-T160 PolarHBondContact O-OG1 2.89Å; L156-L176 HydrophobicContact CB-CD1 4.27Å; L156-L176 HydrophobicContact CD2-CD1 4.27Å; L156-L176 HydrophobicContact CG-CD1 3.94Å
157E98.7Very high98.6Very high32 Ų3242.4 Ų42.415%0.1524%0.244CC..Hα-helixtrans-63.1-49.5170.8175.6-175.3169.600111.5L140 K153 A154 G155 F159 T160 R161 L176 V227L140-E157 WeakPolarHBondContact CD2-OE2 3.36Å; K153-E157 PolarHBondContact O-N 3.2Å; A154-E157 WeakPolarHBondContact O-CB 3.48Å; A154-E157 PolarHBondContact O-N 3.06Å; G155-E157 VanDerWaalsContact C-N 3.34Å; G155-E157 PolarHBondContact O-N 3.46Å; E157-F159 VanDerWaalsContact C-N 3.33Å; E157-F159 PolarHBondContact O-N 2.71Å; E157-T160 PolarHBondContact O-N 3.47Å; E157-R161 PolarHBondContact O-N 3.27Å; E157-R161 IonicContact OE1-CZ 3.28Å; E157-R161 IonicContact OE1-NE 3.9Å; E157-R161 IonicContact OE1-NH1 3.88Å; E157-R161 PolarHBondContact OE1-NH1 3.41Å; E157-R161 IonicContact OE1-NH2 2.76Å; E157-R161 PolarHBondContact OE1-NH2 2.87Å; E157-L176 HydrophobicContact CB-CD1 4.34Å; E157-V227 HydrophobicContact CG-CG2 3.74Å
158G98.8Very high98.6Very high36 Ų3641.2 Ų41.237%0.37124%0.239SC..Hα-helixtrans-57.9-46.1176.200000111.9A154 G155 R161 S162A154-G158 PolarHBondContact O-N 3.43Å; G155-G158 PolarHBondContact O-N 2.97Å; G158-R161 PolarHBondContact O-N 3.34Å; G158-S162 PolarHBondContact O-N 2.69Å; G158-S162 PolarHBondContact O-OG 2.95Å; G158-S162 VanDerWaalsContact O-OG 3.12Å
159F98.9Very high98.5Very high39 Ų3944.4 Ų44.417%0.17126%0.26CS..Hα-helixtrans-59.2-47.6174.9170.8-109.7000112.5M113 C116 G155 L156 E157 R161 S162 L163M113-F159 HydrophobicContact CB-CE2 4.2Å; M113-F159 HydrophobicContact CB-CZ 4.2Å; M113-F159 HydrophobicContact CG-CD1 4.18Å; M113-F159 HydrophobicContact CG-CD2 3.71Å; M113-F159 HydrophobicContact CG-CE1 4.16Å; M113-F159 HydrophobicContact CG-CE2 3.72Å; M113-F159 HydrophobicContact CG-CG 3.94Å; M113-F159 HydrophobicContact CG-CZ 3.94Å; C116-F159 HydrophobicContact CB-CE1 4.25Å; C116-F159 HydrophobicContact CB-CZ 3.83Å; G155-F159 WeakPolarHBondContact O-CB 3.18Å; G155-F159 PolarHBondContact O-N 2.94Å; L156-F159 HydrophobicContact CD1-CD1 3.98Å; E157-F159 VanDerWaalsContact C-N 3.33Å; E157-F159 PolarHBondContact O-N 2.71Å; F159-R161 VanDerWaalsContact C-N 3.33Å; F159-R161 PolarHBondContact O-N 3.43Å; F159-S162 PolarHBondContact O-N 3.23Å; F159-L163 HydrophobicContact CE1-CD2 4.22Å; F159-L163 HydrophobicContact CE2-CB 4.34Å; F159-L163 HydrophobicContact CE2-CD2 4.42Å; F159-L163 HydrophobicContact CZ-CB 4.41Å; F159-L163 HydrophobicContact CZ-CD2 3.78Å; F159-L163 WeakPolarHBondContact O-CB 3.35Å; F159-L163 PolarHBondContact O-N 3.48Å
160T98.9Very high98.4Very high1 Ų150.6 Ų50.61%0.00628%0.284CS..Hα-helixtrans-56.2-47.2179.6-62.70000111.1N133 L156 E157 A164 V174 N175 L176N133-T160 PolarHBondContact ND2-OG1 3.01Å; L156-T160 VanDerWaalsContact O-CB 3.32Å; L156-T160 WeakPolarHBondContact O-CB 3.19Å; L156-T160 PolarHBondContact O-N 2.79Å; L156-T160 PolarHBondContact O-OG1 2.89Å; E157-T160 PolarHBondContact O-N 3.47Å; T160-A164 VanDerWaalsContact O-CB 3.28Å; T160-A164 WeakPolarHBondContact O-CB 3.33Å; T160-A164 PolarHBondContact O-N 2.75Å; T160-V174 HydrophobicContact CG2-CG1 3.93Å; T160-N175 VanDerWaalsContact CG2-C 3.4Å; T160-L176 HydrophobicContact CG2-CB 3.9Å
161R98.9Very high98.3Very high113 Ų11356.1 Ų56.143%0.42631%0.311SS..Hα-helixtrans-65.5-43.2179.2-74.2177.6175.9149.57.5112.7E157 G158 F159 A164 K165 G225E157-R161 PolarHBondContact O-N 3.27Å; E157-R161 IonicContact OE1-CZ 3.28Å; E157-R161 IonicContact OE1-NE 3.9Å; E157-R161 IonicContact OE1-NH1 3.88Å; E157-R161 PolarHBondContact OE1-NH1 3.41Å; E157-R161 IonicContact OE1-NH2 2.76Å; E157-R161 PolarHBondContact OE1-NH2 2.87Å; G158-R161 PolarHBondContact O-N 3.34Å; F159-R161 VanDerWaalsContact C-N 3.33Å; F159-R161 PolarHBondContact O-N 3.43Å; R161-A164 PolarHBondContact O-N 3.02Å; R161-K165 WeakPolarHBondContact O-CG 3.17Å; R161-K165 PolarHBondContact O-N 3.21Å; R161-G225 WeakPolarHBondContact CG-O 3.3Å
162S98.9Very high98.3Very high76 Ų7653.6 Ų53.653%0.53129%0.289SS..Hα-helixtrans-64.4-47.9178.9-65.70000111.2G158 F159 A164 K165 E166G158-S162 PolarHBondContact O-N 2.69Å; G158-S162 PolarHBondContact O-OG 2.95Å; G158-S162 VanDerWaalsContact O-OG 3.12Å; F159-S162 PolarHBondContact O-N 3.23Å; S162-A164 VanDerWaalsContact C-N 3.35Å; S162-A164 PolarHBondContact O-N 2.98Å; S162-K165 PolarHBondContact O-N 3.47Å; S162-E166 PolarHBondContact O-N 2.72Å; S162-E166 VanDerWaalsContact O-N 3.14Å
163L98.8Very high98.3Very high9 Ų954.6 Ų54.65%0.04729%0.293CS..Hα-helixtrans-62.8-42.7177.9-175.963.2000111.2C116 L120 I131 F159 K165 E166 V167 V174C116-L163 HydrophobicContact CB-CD2 3.84Å; L120-L163 HydrophobicContact CD1-CD1 4.03Å; I131-L163 HydrophobicContact CD1-CD2 4.09Å; F159-L163 HydrophobicContact CE1-CD2 4.22Å; F159-L163 HydrophobicContact CE2-CB 4.34Å; F159-L163 HydrophobicContact CE2-CD2 4.42Å; F159-L163 HydrophobicContact CZ-CB 4.41Å; F159-L163 HydrophobicContact CZ-CD2 3.78Å; F159-L163 WeakPolarHBondContact O-CB 3.35Å; F159-L163 PolarHBondContact O-N 3.48Å; L163-K165 VanDerWaalsContact C-N 3.29Å; L163-K165 PolarHBondContact O-N 3.24Å; L163-E166 WeakPolarHBondContact O-CB 3.37Å; L163-E166 PolarHBondContact O-N 3.11Å; L163-V167 HydrophobicContact CD1-CG1 3.78Å; L163-V167 HydrophobicContact CG-CG1 4.45Å; L163-V167 HydrophobicContact CG-CG2 4.47Å; L163-V167 WeakPolarHBondContact O-CG2 3.5Å; L163-V167 PolarHBondContact O-N 3.3Å; L163-V174 HydrophobicContact CB-CG1 4.42Å; L163-V174 HydrophobicContact CD2-CG1 4.09Å; L163-V174 HydrophobicContact CD2-CG2 4.09Å; L163-V174 HydrophobicContact CG-CG1 4.43Å; L163-V174 HydrophobicContact CG-CG2 4.04Å
164A98.8Very high98.3Very high3 Ų353.9 Ų53.93%0.02529%0.29CS..Hα-helixtrans-53.2-45.2175.800000112.4T160 R161 S162 A168 V174T160-A164 VanDerWaalsContact O-CB 3.28Å; T160-A164 WeakPolarHBondContact O-CB 3.33Å; T160-A164 PolarHBondContact O-N 2.75Å; R161-A164 PolarHBondContact O-N 3.02Å; S162-A164 VanDerWaalsContact C-N 3.35Å; S162-A164 PolarHBondContact O-N 2.98Å; A164-A168 WeakPolarHBondContact O-CB 3.42Å; A164-A168 PolarHBondContact O-N 3.18Å; A164-V174 HydrophobicContact CB-CB 4.05Å
165K98.8Very high98.3Very high180 Ų18052 Ų5278%0.78327%0.274SS*.Hα-helixtrans-64-40.4177.1-71177.1179.5-179.70112.2R161 S162 L163R161-K165 WeakPolarHBondContact O-CG 3.17Å; R161-K165 PolarHBondContact O-N 3.21Å; S162-K165 PolarHBondContact O-N 3.47Å; L163-K165 VanDerWaalsContact C-N 3.29Å; L163-K165 PolarHBondContact O-N 3.24Å
166E98.5Very high98.3Very high137 Ų13750.8 Ų50.864%0.6426%0.261SS*.Hα-helixtrans-64.2-43.8-178.9-171.7-179.5136.200111.9S162 L163S162-E166 PolarHBondContact O-N 2.72Å; S162-E166 VanDerWaalsContact O-N 3.14Å; L163-E166 WeakPolarHBondContact O-CB 3.37Å; L163-E166 PolarHBondContact O-N 3.11Å
167V98.3Very high98.3Very high8 Ų850.7 Ų50.75%0.04826%0.261CS..Hα-helixtrans-103.9-7.1-168.9-52.10000114.8L120 L163 S169 R170 I172 V174L120-V167 HydrophobicContact CD1-CG1 4.41Å; L120-V167 HydrophobicContact CD2-CG1 3.78Å; L163-V167 HydrophobicContact CD1-CG1 3.78Å; L163-V167 HydrophobicContact CG-CG1 4.45Å; L163-V167 HydrophobicContact CG-CG2 4.47Å; L163-V167 WeakPolarHBondContact O-CG2 3.5Å; L163-V167 PolarHBondContact O-N 3.3Å; V167-S169 VanDerWaalsContact C-N 3.28Å; V167-S169 PolarHBondContact O-N 3.42Å; V167-R170 WeakPolarHBondContact O-CA 3.02Å; V167-R170 WeakPolarHBondContact O-CB 3.42Å; V167-R170 PolarHBondContact O-N 3.24Å; V167-I172 HydrophobicContact CB-CB 4Å; V167-I172 HydrophobicContact CB-CD1 4.39Å; V167-I172 HydrophobicContact CB-CG2 4.42Å; V167-I172 HydrophobicContact CG2-CB 3.63Å; V167-I172 HydrophobicContact CG2-CG2 3.69Å; V167-I172 PolarHBondContact O-N 2.88Å; V167-V174 HydrophobicContact CG2-CG2 3.77Å
168A97.9Very high98.3Very high40 Ų4049.2 Ų49.233%0.33125%0.254SS..G310 helixtrans-58.6-36.5179.400000113.1A164 R170 N171A164-A168 WeakPolarHBondContact O-CB 3.42Å; A164-A168 PolarHBondContact O-N 3.18Å; A168-R170 PolarHBondContact O-N 3.37Å; A168-N171 PolarHBondContact O-N 3.07Å
169S96.4Very high98.3Very high84 Ų8447.9 Ų47.959%0.58724%0.239SC*.G310 helixtrans-64.1-7.317670.70000114V167V167-S169 VanDerWaalsContact C-N 3.28Å; V167-S169 PolarHBondContact O-N 3.42Å
170R96.1Very high98.2Very high156 Ų15646.7 Ų46.759%0.58924%0.238SC*.G310 helixtrans-111.515.2175.3-57.1-65.2-176.8-92.1-1.2112.2L124 V167 A168 I172L124-R170 HydrophobicContact CD2-CB 3.64Å; L124-R170 HydrophobicContact CD2-CG 3.64Å; V167-R170 WeakPolarHBondContact O-CA 3.02Å; V167-R170 WeakPolarHBondContact O-CB 3.42Å; V167-R170 PolarHBondContact O-N 3.24Å; A168-R170 PolarHBondContact O-N 3.37Å; R170-I172 PolarHBondContact O-N 2.87Å
171N95.6Very high98Very high125 Ų12548.6 Ų48.667%0.66825%0.246SC*.THydrogen-bonded Turntrans5928.6-178.2-62.3-37.6000114.3A168A168-N171 PolarHBondContact O-N 3.07Å
172I98.5Very high97.9Very high2 Ų243.6 Ų43.61%0.0123%0.228CC..  trans-98.3129.2170.9-56.8174.9000108.3L120 M123 L124 A129 V167 R170 V174L120-I172 HydrophobicContact CD2-CD1 4.29Å; M123-I172 HydrophobicContact CB-CD1 3.92Å; M123-I172 HydrophobicContact CE-CG2 4.19Å; L124-I172 HydrophobicContact CD2-CD1 3.97Å; L124-I172 HydrophobicContact CG-CD1 4.29Å; A129-I172 HydrophobicContact CB-CG1 4.4Å; A129-I172 WeakPolarHBondContact O-CA 3.32Å; V167-I172 HydrophobicContact CB-CB 4Å; V167-I172 HydrophobicContact CB-CD1 4.39Å; V167-I172 HydrophobicContact CB-CG2 4.42Å; V167-I172 HydrophobicContact CG2-CB 3.63Å; V167-I172 HydrophobicContact CG2-CG2 3.69Å; V167-I172 PolarHBondContact O-N 2.88Å; R170-I172 PolarHBondContact O-N 2.87Å; I172-V174 HydrophobicContact CG2-CG2 4.41Å
173R98.8Very high97.7Very high21 Ų2143.7 Ų43.78%0.07922%0.219CC..EExtended strand (participates in β ladder)trans-102.9142.5177.8-64.6175.6-66.9108.76.1110.5A129 A130 I131 L217 L218 S220 S221 V223 T224A129-R173 PolarHBondContact O-N 3.26Å; A130-R173 CarbonylContact C-O 3.46Å; A130-R173 VanDerWaalsContact CA-O 3.29Å; A130-R173 WeakPolarHBondContact CA-O 3.41Å; A130-R173 HydrophobicContact CB-CB 4.38Å; I131-R173 PolarHBondContact N-O 3.44Å; R173-L217 PolarHBondContact NH1-O 3.48Å; R173-L218 PolarHBondContact NH2-O 2.85Å; R173-S220 WeakPolarHBondContact CD-O 3.48Å; R173-S220 PolarHBondContact NH1-O 3.35Å; R173-S221 WeakPolarHBondContact CD-O 3.35Å; R173-V223 WeakPolarHBondContact CD-O 3.49Å; R173-T224 WeakPolarHBondContact CA-OG1 3.42Å
174V98.9Very high97.4Very high0 Ų044.8 Ų44.80%023%0.227CC..EExtended strand (participates in β ladder)trans-136.7118-179.8-173.90000108.3I131 T160 L163 A164 V167 I172 T224 G225I131-V174 HydrophobicContact CB-CB 4.39Å; I131-V174 HydrophobicContact CB-CG1 4.1Å; I131-V174 HydrophobicContact CB-CG2 4.13Å; I131-V174 HydrophobicContact CD1-CG2 4Å; I131-V174 HydrophobicContact CG1-CG2 4.24Å; I131-V174 HydrophobicContact CG2-CG1 4.3Å; I131-V174 WeakPolarHBondContact O-CA 3.46Å; T160-V174 HydrophobicContact CG2-CG1 3.93Å; L163-V174 HydrophobicContact CB-CG1 4.42Å; L163-V174 HydrophobicContact CD2-CG1 4.09Å; L163-V174 HydrophobicContact CD2-CG2 4.09Å; L163-V174 HydrophobicContact CG-CG1 4.43Å; L163-V174 HydrophobicContact CG-CG2 4.04Å; A164-V174 HydrophobicContact CB-CB 4.05Å; V167-V174 HydrophobicContact CG2-CG2 3.77Å; I172-V174 HydrophobicContact CG2-CG2 4.41Å; V174-T224 PolarHBondContact N-OG1 3.01Å; V174-T224 VanDerWaalsContact N-OG1 3.11Å; V174-G225 WeakPolarHBondContact O-CA 3.48Å; V174-G225 PolarHBondContact O-N 3.41Å
175N98.9Very high96.9Very high0 Ų049.8 Ų49.80%025%0.253CS..EExtended strand (participates in β ladder)trans-132.2167-178.6-64.7-67.2000111.1I131 V132 N133 T160 L217 V223 T224 G225 Q226I131-N175 PolarHBondContact O-N 3.14Å; V132-N175 WeakPolarHBondContact CA-O 3.42Å; N133-N175 PolarHBondContact N-O 3.05Å; T160-N175 VanDerWaalsContact CG2-C 3.4Å; N175-L217 HydrophobicContact CB-CB 4.35Å; N175-L217 HydrophobicContact CB-CD1 4.04Å; N175-L217 HydrophobicContact CB-CD2 3.98Å; N175-L217 HydrophobicContact CB-CG 4.36Å; N175-V223 PolarHBondContact ND2-O 3.43Å; N175-T224 VanDerWaalsContact OD1-C 3.28Å; N175-T224 WeakPolarHBondContact OD1-CA 3.29Å; N175-T224 PolarHBondContact OD1-N 3.35Å; N175-G225 PolarHBondContact OD1-N 3.45Å; N175-Q226 PolarHBondContact OD1-N 2.89Å
176L98.9Very high96.1Very high3 Ų345.5 Ų45.52%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-123.3132.3176.9-177.8142.4000110N133 L156 E157 T160 A178 Q226 V227 L228N133-L176 HydrophobicContact CB-CD1 4.47Å; N133-L176 VanDerWaalsContact O-CA 3.32Å; N133-L176 WeakPolarHBondContact O-CA 3.46Å; L156-L176 HydrophobicContact CB-CD1 4.27Å; L156-L176 HydrophobicContact CD2-CD1 4.27Å; L156-L176 HydrophobicContact CG-CD1 3.94Å; E157-L176 HydrophobicContact CB-CD1 4.34Å; T160-L176 HydrophobicContact CG2-CB 3.9Å; L176-A178 HydrophobicContact CD2-CB 3.9Å; L176-Q226 PolarHBondContact N-O 3.46Å; L176-V227 HydrophobicContact CB-CG2 4.35Å; L176-V227 HydrophobicContact CD2-CB 4.32Å; L176-V227 HydrophobicContact CD2-CG1 3.67Å; L176-V227 HydrophobicContact CD2-CG2 4.07Å; L176-V227 CarbonylContact O-C 3.51Å; L176-V227 WeakPolarHBondContact O-CA 3.32Å; L176-L228 PolarHBondContact O-N 3.3Å
177L98.9Very high95.5Very high0 Ų039.9 Ų39.90%021%0.212CC..EExtended strand (participates in β ladder)trans-94.2124.7165.4179.569.3000108.3V132 N133 I134 G135 P179 A210 A213 V214 L217 L228 V230V132-L177 HydrophobicContact CG1-CB 4.26Å; N133-L177 PolarHBondContact O-N 3.02Å; I134-L177 HydrophobicContact CD1-CB 4.11Å; I134-L177 HydrophobicContact CD1-CD2 4.09Å; G135-L177 WeakPolarHBondContact CA-O 3.47Å; G135-L177 PolarHBondContact N-O 3.31Å; L177-P179 WeakPolarHBondContact O-CD 3.48Å; L177-A210 HydrophobicContact CD2-CB 4.13Å; L177-A210 WeakPolarHBondContact CD2-O 3.32Å; L177-A213 HydrophobicContact CD1-CB 3.67Å; L177-A213 HydrophobicContact CD2-CB 4.47Å; L177-V214 HydrophobicContact CD2-CG2 3.57Å; L177-L217 HydrophobicContact CB-CD1 4.34Å; L177-L228 CarbonylContact C-O 3.49Å; L177-L228 WeakPolarHBondContact CA-O 3.43Å; L177-L228 HydrophobicContact CD1-CB 4.42Å; L177-L228 HydrophobicContact CD1-CD2 4.39Å; L177-L228 HydrophobicContact CD1-CG 4.33Å; L177-V230 HydrophobicContact CD1-CB 4.15Å; L177-V230 HydrophobicContact CD1-CG2 3.54Å
178A98.5Very high94.8Very high0 Ų043.5 Ų43.50%024%0.243CC..EExtended strand (participates in β ladder)trans-106.989.1174.800000109.9L140 L176 V227 L228 V229 V230L140-A178 HydrophobicContact CD1-CB 3.97Å; L176-A178 HydrophobicContact CD2-CB 3.9Å; A178-V227 HydrophobicContact CB-CG1 3.79Å; A178-L228 PolarHBondContact N-O 3.28Å; A178-V229 HydrophobicContact CB-CG2 4.1Å; A178-V229 WeakPolarHBondContact O-CA 3.36Å; A178-V230 PolarHBondContact O-N 3.47Å
179P98.1Very high93.9Very high8 Ų845.5 Ų45.55%0.05227%0.267CS..EExtended strand (participates in β ladder)trans-73.2151.1176.928.1-33000112.3I14 I134 V137 L177 I182 V230I14-P179 HydrophobicContact CD1-CB 4.4Å; I14-P179 HydrophobicContact CD1-CG 4.18Å; I134-P179 HydrophobicContact CG2-CG 4.16Å; V137-P179 PolarHBondContact N-O 2.95Å; L177-P179 WeakPolarHBondContact O-CD 3.48Å; P179-I182 HydrophobicContact CB-CD1 4.33Å; P179-I182 HydrophobicContact CB-CG1 3.78Å; P179-V230 CarbonylContact C-O 3.5Å; P179-V230 VanDerWaalsContact CA-O 3.31Å; P179-V230 WeakPolarHBondContact CA-O 3.34Å
180G96.4Very high93.3Very high15 Ų1543.8 Ų43.816%0.15525%0.251CS..  trans-80.8-141.1162.900000112I182 V230G180-I182 PolarHBondContact O-N 3.17Å; G180-V230 PolarHBondContact N-O 3.06Å
181F95.8Very high92.8Very high41 Ų4143.3 Ų43.318%0.1826%0.256CS..SBendtrans-75.6122.6170.7-64.6-64.2000110.3L190 R195 I199 F204 G205 L234F181-L190 HydrophobicContact CD1-CD1 3.91Å; F181-L190 HydrophobicContact CE1-CD1 3.87Å; F181-R195 HydrophobicContact CE2-CB 4.23Å; F181-I199 HydrophobicContact CD2-CD1 4.08Å; F181-F204 HydrophobicContact CB-CB 4.28Å; F181-F204 HydrophobicContact CB-CD1 3.39Å; F181-F204 HydrophobicContact CB-CD2 3.73Å; F181-F204 HydrophobicContact CB-CE1 3.49Å; F181-F204 VanDerWaalsContact CB-CE1 3.49Å; F181-F204 HydrophobicContact CB-CE2 3.82Å; F181-F204 HydrophobicContact CB-CG 3.52Å; F181-F204 HydrophobicContact CB-CZ 3.7Å; F181-F204 HydrophobicContact CD1-CE1 4.44Å; F181-F204 HydrophobicContact CD1-CE2 4.41Å; F181-F204 HydrophobicContact CD1-CZ 4.07Å; F181-F204 HydrophobicContact CD2-CD1 4.25Å; F181-F204 AromaticContact CD2-CE1 3.69Å; F181-F204 HydrophobicContact CD2-CE1 3.69Å; F181-F204 HydrophobicContact CD2-CZ 4.1Å; F181-F204 HydrophobicContact CG-CD1 4.05Å; F181-F204 AromaticContact CG-CE1 3.62Å; F181-F204 HydrophobicContact CG-CE1 3.62Å; F181-F204 HydrophobicContact CG-CE2 4.18Å; F181-F204 AromaticContact CG-CZ 3.69Å; F181-F204 HydrophobicContact CG-CZ 3.69Å; F181-G205 PolarHBondContact O-N 3.26Å; F181-L234 HydrophobicContact CD2-CD2 3.65Å; F181-L234 HydrophobicContact CE2-CD2 3.6Å
182I97Very high92.4Very high8 Ų840.1 Ų40.14%0.04124%0.237CC..BIsolated β-bridgetrans-125132178.9-57.1-60.8000108.9I14 P179 G180 T184 T187 G205 P207 A210I14-I182 HydrophobicContact CD1-CB 4.36Å; I14-I182 HydrophobicContact CD1-CG1 4.18Å; I14-I182 HydrophobicContact CD1-CG2 4.27Å; I14-I182 HydrophobicContact CG1-CG2 4.03Å; P179-I182 HydrophobicContact CB-CD1 4.33Å; P179-I182 HydrophobicContact CB-CG1 3.78Å; G180-I182 PolarHBondContact O-N 3.17Å; I182-T184 HydrophobicContact CG2-CG2 4.02Å; I182-T184 PolarHBondContact O-N 2.99Å; I182-T184 PolarHBondContact O-OG1 3.07Å; I182-T187 VanDerWaalsContact O-CG2 3.24Å; I182-T187 WeakPolarHBondContact O-CG2 3.41Å; I182-T187 PolarHBondContact O-OG1 3.42Å; I182-G205 CarbonylContact C-O 3.57Å; I182-G205 VanDerWaalsContact CA-O 3.25Å; I182-G205 WeakPolarHBondContact CA-O 3.47Å; I182-P207 HydrophobicContact CG2-CG 4.13Å; I182-A210 HydrophobicContact CD1-CB 4.49Å
183H94.8Very high91.8Very high77 Ų7746.9 Ų46.936%0.35627%0.268SS..SBendtrans-59.6100.2176.8-68.1121.3000112E192 G205 P207H183-E192 IonicContact CD2-OE2 2.7Å; H183-E192 PolarHBondContact CD2-OE2 2.79Å; H183-E192 IonicContact CE1-OE1 3.97Å; H183-E192 PolarHBondContact CE1-OE1 2.99Å; H183-E192 IonicContact CE1-OE2 2.73Å; H183-E192 IonicContact NE2-OE1 2.69Å; H183-E192 PolarHBondContact NE2-OE1 3.03Å; H183-E192 IonicContact NE2-OE2 3.01Å; H183-E192 PolarHBondContact NE2-OE2 2.69Å; H183-G205 PolarHBondContact N-O 3.29Å; H183-G205 PolarHBondContact ND1-O 3.33Å; H183-P207 WeakPolarHBondContact O-CD 3.45Å; H183-P207 WeakPolarHBondContact O-CG 3.14Å
184T92.4Very high91.2Very high33 Ų3348.5 Ų48.520%0.20229%0.286CS..SBendtrans-147.2173.2176.861.40000110.1I14 I182 M186 T187 A188 P207I14-T184 HydrophobicContact CG1-CG2 4.38Å; I182-T184 HydrophobicContact CG2-CG2 4.02Å; I182-T184 PolarHBondContact O-N 2.99Å; I182-T184 PolarHBondContact O-OG1 3.07Å; T184-M186 PolarHBondContact O-N 3.23Å; T184-M186 PolarHBondContact OG1-N 3.24Å; T184-T187 PolarHBondContact N-OG1 2.85Å; T184-T187 VanDerWaalsContact N-OG1 3.13Å; T184-T187 PolarHBondContact O-N 2.98Å; T184-T187 PolarHBondContact O-OG1 2.94Å; T184-T187 VanDerWaalsContact O-OG1 3.13Å; T184-A188 PolarHBondContact O-N 2.88Å; T184-A188 VanDerWaalsContact O-N 3.11Å; T184-P207 HydrophobicContact CG2-CG 4.15Å
185D86.5Confident90.6Very high108 Ų10852.6 Ų52.658%0.57830%0.301SS*.THydrogen-bonded Turntrans-48.2-34168.8-64.5-1.1000112.9R12 T187R12-D185 WeakPolarHBondContact CD-OD2 3.36Å; R12-D185 IonicContact CZ-OD2 2.72Å; R12-D185 IonicContact NE-OD2 2.64Å; R12-D185 IonicContact NH1-OD2 3.2Å; R12-D185 PolarHBondContact NH1-OD2 2.86Å; R12-D185 VanDerWaalsContact NH1-OD2 3.1Å; D185-T187 VanDerWaalsContact C-N 3.29Å; D185-T187 PolarHBondContact O-N 3.32Å
186M83.8Confident90.3Very high90 Ų9053.1 Ų53.144%0.44331%0.306SS..THydrogen-bonded Turntrans-70.1-26.1-177.5-169175.4-6700112.8N88 T184N88-M186 HydrophobicContact CB-CE 4.32Å; N88-M186 HydrophobicContact CB-CG 4.26Å; N88-M186 HydrophobicContact CB-SD 3.91Å; T184-M186 PolarHBondContact O-N 3.23Å; T184-M186 PolarHBondContact OG1-N 3.24Å
187T84.4Confident89.9Confident18 Ų1863.4 Ų63.411%0.1134%0.344CS..THydrogen-bonded Turntrans-107.5-6-177.9610000113.5I182 T184 D185 G189 L190I182-T187 VanDerWaalsContact O-CG2 3.24Å; I182-T187 WeakPolarHBondContact O-CG2 3.41Å; I182-T187 PolarHBondContact O-OG1 3.42Å; T184-T187 PolarHBondContact N-OG1 2.85Å; T184-T187 VanDerWaalsContact N-OG1 3.13Å; T184-T187 PolarHBondContact O-N 2.98Å; T184-T187 PolarHBondContact O-OG1 2.94Å; T184-T187 VanDerWaalsContact O-OG1 3.13Å; D185-T187 VanDerWaalsContact C-N 3.29Å; D185-T187 PolarHBondContact O-N 3.32Å; T187-G189 PolarHBondContact O-N 3.05Å; T187-G189 VanDerWaalsContact O-N 3.07Å; T187-L190 HydrophobicContact CG2-CD1 4.09Å; T187-L190 WeakPolarHBondContact O-CB 3.36Å; T187-L190 WeakPolarHBondContact O-CG 3.45Å; T187-L190 PolarHBondContact O-N 3.37Å
188A83.2Confident89.5Confident85 Ų8565.7 Ų65.770%0.70236%0.364SS*.THydrogen-bonded Turntrans-58.5-24.1-174.100000114.4T184T184-A188 PolarHBondContact O-N 2.88Å; T184-A188 VanDerWaalsContact O-N 3.11Å
189G79.8Confident89.3Confident81 Ų8166 Ų6684%0.83537%0.365SS*.THydrogen-bonded Turntrans-91.33.8176.900000115.3T187T187-G189 PolarHBondContact O-N 3.05Å; T187-G189 VanDerWaalsContact O-N 3.07Å
190L83.1Confident89.3Confident48 Ų4869.9 Ų69.925%0.25139%0.39SS..SBendtrans-88.3144.9-177.5-59.9-178.4000111.5F181 T187 E192F181-L190 HydrophobicContact CD1-CD1 3.91Å; F181-L190 HydrophobicContact CE1-CD1 3.87Å; T187-L190 HydrophobicContact CG2-CD1 4.09Å; T187-L190 WeakPolarHBondContact O-CB 3.36Å; T187-L190 WeakPolarHBondContact O-CG 3.45Å; T187-L190 PolarHBondContact O-N 3.37Å; L190-E192 PolarHBondContact O-N 2.64Å
191Q86.9Confident89.3Confident147 Ų14774.8 Ų74.869%0.68741%0.412SS*.  trans-71.892168.3-69.2-177.8-21.400109.7A194 R195Q191-A194 HydrophobicContact CB-CB 4.31Å; Q191-R195 WeakPolarHBondContact O-CG 3.34Å; Q191-R195 PolarHBondContact O-N 3.02Å
192E86.8Confident89.3Confident58 Ų5875.2 Ų75.227%0.27143%0.428SS..Hα-helixtrans-63.2-45.7-174.7-179.6167.9172.400111.8H183 L190 A194 R195 A196 F204H183-E192 IonicContact CD2-OE2 2.7Å; H183-E192 PolarHBondContact CD2-OE2 2.79Å; H183-E192 IonicContact CE1-OE1 3.97Å; H183-E192 PolarHBondContact CE1-OE1 2.99Å; H183-E192 IonicContact CE1-OE2 2.73Å; H183-E192 IonicContact NE2-OE1 2.69Å; H183-E192 PolarHBondContact NE2-OE1 3.03Å; H183-E192 IonicContact NE2-OE2 3.01Å; H183-E192 PolarHBondContact NE2-OE2 2.69Å; L190-E192 PolarHBondContact O-N 2.64Å; E192-A194 PolarHBondContact O-N 3.27Å; E192-A194 VanDerWaalsContact O-N 3.17Å; E192-R195 PolarHBondContact O-N 3.38Å; E192-A196 WeakPolarHBondContact O-CB 3.46Å; E192-A196 PolarHBondContact O-N 2.93Å; E192-F204 HydrophobicContact CB-CE2 4.2Å; E192-F204 HydrophobicContact CB-CZ 4.18Å; E192-F204 HydrophobicContact CG-CD1 3.96Å; E192-F204 HydrophobicContact CG-CD2 4.06Å; E192-F204 HydrophobicContact CG-CE1 3.96Å; E192-F204 HydrophobicContact CG-CE2 4.06Å; E192-F204 HydrophobicContact CG-CG 4.02Å; E192-F204 HydrophobicContact CG-CZ 4.02Å
193E85.3Confident89.3Confident144 Ų14479.8 Ų79.867%0.67345%0.445SS*.Hα-helixtrans-60-35.7-174.9-60.880.4-176.900112.2R197E193-R197 WeakPolarHBondContact O-CG 3.14Å
194A86.5Confident89.4Confident55 Ų5576.2 Ų76.246%0.45543%0.428SS..Hα-helixtrans-71.7-42.1177.100000111.5Q191 E192Q191-A194 HydrophobicContact CB-CB 4.31Å; E192-A194 PolarHBondContact O-N 3.27Å; E192-A194 VanDerWaalsContact O-N 3.17Å
195R86.9Confident89.6Confident85 Ų8575.2 Ų75.232%0.32142%0.424SS..Hα-helixtrans-77.1-34.1-176.8-69.8176.9-179.9-105.1-0.8112.6F181 Q191 E192 R197 A198 F204F181-R195 HydrophobicContact CE2-CB 4.23Å; Q191-R195 WeakPolarHBondContact O-CG 3.34Å; Q191-R195 PolarHBondContact O-N 3.02Å; E192-R195 PolarHBondContact O-N 3.38Å; R195-R197 PolarHBondContact O-N 3.49Å; R195-A198 PolarHBondContact O-N 2.99Å; R195-A198 VanDerWaalsContact O-N 3.11Å; R195-F204 HydrophobicContact CB-CE1 3.73Å; R195-F204 HydrophobicContact CB-CZ 3.9Å
196A91.4Very high90.2Very high11 Ų1172.2 Ų72.29%0.09141%0.41CS..Hα-helixtrans-62.2-29.5178.800000112.4E192 A198 I199E192-A196 WeakPolarHBondContact O-CB 3.46Å; E192-A196 PolarHBondContact O-N 2.93Å; A196-A198 PolarHBondContact O-N 3.29Å; A196-I199 WeakPolarHBondContact O-CB 3.33Å; A196-I199 PolarHBondContact O-N 3.4Å
197R91.5Very high90.9Very high219 Ų21968.7 Ų68.783%0.82639%0.394SS*.THydrogen-bonded Turntrans-62.2-26.9174.8-68.6173.5-170.6-167.11113.7E193 R195 I199E193-R197 WeakPolarHBondContact O-CG 3.14Å; R195-R197 PolarHBondContact O-N 3.49Å; R197-I199 VanDerWaalsContact C-N 3.29Å
198A90Very high91.5Very high49 Ų4972.8 Ų72.841%0.40541%0.412SS..THydrogen-bonded Turntrans-85.4-4.2176.100000112.7R195 A196 L234 A237R195-A198 PolarHBondContact O-N 2.99Å; R195-A198 VanDerWaalsContact O-N 3.11Å; A196-A198 PolarHBondContact O-N 3.29Å; A198-L234 HydrophobicContact CB-CD1 4.27Å; A198-A237 WeakPolarHBondContact O-CB 3.33Å
199I95.6Very high92.3Very high7 Ų772.1 Ų72.14%0.03639%0.394CS..SBendtrans-99.8122.5179.6-54.2173.3000107.5F181 A196 R197 L201 G202 R203 F204 G232 L234F181-I199 HydrophobicContact CD2-CD1 4.08Å; A196-I199 WeakPolarHBondContact O-CB 3.33Å; A196-I199 PolarHBondContact O-N 3.4Å; R197-I199 VanDerWaalsContact C-N 3.29Å; I199-L201 HydrophobicContact CG2-CB 4.38Å; I199-L201 PolarHBondContact O-N 2.98Å; I199-G202 WeakPolarHBondContact O-CA 3.2Å; I199-G202 PolarHBondContact O-N 3.3Å; I199-R203 VanDerWaalsContact CD1-O 3.25Å; I199-R203 WeakPolarHBondContact CD1-O 3.41Å; I199-F204 HydrophobicContact CD1-CD1 3.69Å; I199-F204 HydrophobicContact CD1-CE1 4.05Å; I199-G232 WeakPolarHBondContact CG2-O 3.44Å; I199-L234 HydrophobicContact CG1-CB 4.31Å; I199-L234 HydrophobicContact CG1-CD1 4.03Å
200P96.5Very high93.2Very high88 Ų8868.3 Ų68.357%0.57135%0.354SS*.THydrogen-bonded Turntrans-53.1-36.7175.8-31.736.6000114.7G202 G232 G233P200-G202 PolarHBondContact O-N 3.49Å; P200-G232 VanDerWaalsContact CD-O 3.27Å; P200-G232 WeakPolarHBondContact CD-O 3.41Å; P200-G233 VanDerWaalsContact CD-C 3.43Å; P200-G233 WeakPolarHBondContact CD-O 3.34Å; P200-G233 WeakPolarHBondContact CG-O 3.36Å
201L97.2Very high93.9Very high119 Ų11966.1 Ų66.162%0.62334%0.343SS*.THydrogen-bonded Turntrans-77.8-1173.5-63.4-170.6000114.6I199 R203 G232I199-L201 HydrophobicContact CG2-CB 4.38Å; I199-L201 PolarHBondContact O-N 2.98Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.1Å; L201-G232 PolarHBondContact N-O 3.11Å
202G95.7Very high94.5Very high49 Ų4963.3 Ų63.351%0.50534%0.336SS..SBendtrans69.313.9169.300000116.2I199 P200I199-G202 WeakPolarHBondContact O-CA 3.2Å; I199-G202 PolarHBondContact O-N 3.3Å; P200-G202 PolarHBondContact O-N 3.49Å
203R96.1Very high95Very high104 Ų10461.1 Ų61.139%0.39233%0.328SS..SBendtrans-155.8165-178.663.3170.7178.987.1-3.2112.4I199 L201 E209I199-R203 VanDerWaalsContact CD1-O 3.25Å; I199-R203 WeakPolarHBondContact CD1-O 3.41Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.1Å; R203-E209 IonicContact CZ-OE1 3.48Å; R203-E209 IonicContact CZ-OE2 3.7Å; R203-E209 IonicContact NH1-OE1 3.1Å; R203-E209 PolarHBondContact NH1-OE1 3Å; R203-E209 IonicContact NH1-OE2 3.95Å; R203-E209 PolarHBondContact NH1-OE2 3.44Å; R203-E209 IonicContact NH2-OE1 2.68Å; R203-E209 PolarHBondContact NH2-OE1 2.95Å; R203-E209 IonicContact NH2-OE2 3.64Å
204F97Very high95.7Very high3 Ų354.3 Ų54.31%0.01330%0.296CS..PPolyproline II helixtrans-73155.1164.2-70.69000110.6F181 E192 R195 I199F181-F204 HydrophobicContact CB-CB 4.28Å; F181-F204 HydrophobicContact CB-CD1 3.39Å; F181-F204 HydrophobicContact CB-CD2 3.73Å; F181-F204 HydrophobicContact CB-CE1 3.49Å; F181-F204 VanDerWaalsContact CB-CE1 3.49Å; F181-F204 HydrophobicContact CB-CE2 3.82Å; F181-F204 HydrophobicContact CB-CG 3.52Å; F181-F204 HydrophobicContact CB-CZ 3.7Å; F181-F204 HydrophobicContact CD1-CE1 4.44Å; F181-F204 HydrophobicContact CD1-CE2 4.41Å; F181-F204 HydrophobicContact CD1-CZ 4.07Å; F181-F204 HydrophobicContact CD2-CD1 4.25Å; F181-F204 AromaticContact CD2-CE1 3.69Å; F181-F204 HydrophobicContact CD2-CE1 3.69Å; F181-F204 HydrophobicContact CD2-CZ 4.1Å; F181-F204 HydrophobicContact CG-CD1 4.05Å; F181-F204 AromaticContact CG-CE1 3.62Å; F181-F204 HydrophobicContact CG-CE1 3.62Å; F181-F204 HydrophobicContact CG-CE2 4.18Å; F181-F204 AromaticContact CG-CZ 3.69Å; F181-F204 HydrophobicContact CG-CZ 3.69Å; E192-F204 HydrophobicContact CB-CE2 4.2Å; E192-F204 HydrophobicContact CB-CZ 4.18Å; E192-F204 HydrophobicContact CG-CD1 3.96Å; E192-F204 HydrophobicContact CG-CD2 4.06Å; E192-F204 HydrophobicContact CG-CE1 3.96Å; E192-F204 HydrophobicContact CG-CE2 4.06Å; E192-F204 HydrophobicContact CG-CG 4.02Å; E192-F204 HydrophobicContact CG-CZ 4.02Å; R195-F204 HydrophobicContact CB-CE1 3.73Å; R195-F204 HydrophobicContact CB-CZ 3.9Å; I199-F204 HydrophobicContact CD1-CD1 3.69Å; I199-F204 HydrophobicContact CD1-CE1 4.05Å
205G97.6Very high96.3Very high12 Ų1252.2 Ų52.212%0.12428%0.277CS..BIsolated β-bridgetrans-80.4163171.900000111.9F181 I182 H183 E209F181-G205 PolarHBondContact O-N 3.26Å; I182-G205 CarbonylContact C-O 3.57Å; I182-G205 VanDerWaalsContact CA-O 3.25Å; I182-G205 WeakPolarHBondContact CA-O 3.47Å; H183-G205 PolarHBondContact N-O 3.29Å; H183-G205 PolarHBondContact ND1-O 3.33Å; G205-E209 WeakPolarHBondContact CA-OE2 3.34Å
206T98.2Very high96.8Very high44 Ų4453.4 Ų53.427%0.2729%0.285SS..PPolyproline II helixtrans-96.9157.8173.184.80000111.6E208 E209 A210T206-E208 WeakPolarHBondContact CB-OE2 3.48Å; T206-E208 PolarHBondContact O-N 2.9Å; T206-E208 PolarHBondContact OG1-N 2.76Å; T206-E208 PolarHBondContact OG1-OE2 2.85Å; T206-E209 PolarHBondContact N-OE2 3.39Å; T206-E209 PolarHBondContact O-N 3.22Å; T206-E209 PolarHBondContact OG1-N 3.37Å; T206-A210 PolarHBondContact O-N 3.12Å
207P98.4Very high97.2Very high17 Ų1753 Ų5311%0.1128%0.282CS..Hα-helixtrans-53.4-34.6172.3-29.638.5000113.8A17 I182 H183 T184 A210 A211A17-P207 HydrophobicContact CB-CB 3.59Å; A17-P207 WeakPolarHBondContact CB-O 3.45Å; I182-P207 HydrophobicContact CG2-CG 4.13Å; H183-P207 WeakPolarHBondContact O-CD 3.45Å; H183-P207 WeakPolarHBondContact O-CG 3.14Å; T184-P207 HydrophobicContact CG2-CG 4.15Å; P207-A210 PolarHBondContact O-N 3.1Å; P207-A211 WeakPolarHBondContact O-CB 3.48Å; P207-A211 PolarHBondContact O-N 3.44Å
208E98.5Very high97.5Very high103 Ų10342.6 Ų42.648%0.48124%0.242SC..Hα-helixtrans-69.3-36.6-179.7-60.868.4-145.900112.1T206 A210 A211 T212T206-E208 WeakPolarHBondContact CB-OE2 3.48Å; T206-E208 PolarHBondContact O-N 2.9Å; T206-E208 PolarHBondContact OG1-N 2.76Å; T206-E208 PolarHBondContact OG1-OE2 2.85Å; E208-A210 VanDerWaalsContact C-N 3.34Å; E208-A211 PolarHBondContact O-N 2.67Å; E208-T212 PolarHBondContact O-N 3.14Å; E208-T212 PolarHBondContact O-OG1 3.07Å
209E98.6Very high97.8Very high72 Ų7243.9 Ų43.934%0.33624%0.243SC..Hα-helixtrans-64.2-42.1173.8-66.4179.7128.100110.7R203 G205 T206 A213R203-E209 IonicContact CZ-OE1 3.48Å; R203-E209 IonicContact CZ-OE2 3.7Å; R203-E209 IonicContact NH1-OE1 3.1Å; R203-E209 PolarHBondContact NH1-OE1 3Å; R203-E209 IonicContact NH1-OE2 3.95Å; R203-E209 PolarHBondContact NH1-OE2 3.44Å; R203-E209 IonicContact NH2-OE1 2.68Å; R203-E209 PolarHBondContact NH2-OE1 2.95Å; R203-E209 IonicContact NH2-OE2 3.64Å; G205-E209 WeakPolarHBondContact CA-OE2 3.34Å; T206-E209 PolarHBondContact N-OE2 3.39Å; T206-E209 PolarHBondContact O-N 3.22Å; T206-E209 PolarHBondContact OG1-N 3.37Å; E209-A213 PolarHBondContact O-N 3.3Å
210A98.6Very high97.9Very high0 Ų045 Ų450%025%0.25CS..Hα-helixtrans-65.1-42.717300000111.7I14 L177 I182 T206 P207 E208 T212 A213 V214I14-A210 HydrophobicContact CD1-CB 4.24Å; I14-A210 HydrophobicContact CG1-CB 4.15Å; I14-A210 HydrophobicContact CG2-CB 4.02Å; L177-A210 HydrophobicContact CD2-CB 4.13Å; L177-A210 WeakPolarHBondContact CD2-O 3.32Å; I182-A210 HydrophobicContact CD1-CB 4.49Å; T206-A210 PolarHBondContact O-N 3.12Å; P207-A210 PolarHBondContact O-N 3.1Å; E208-A210 VanDerWaalsContact C-N 3.34Å; A210-T212 VanDerWaalsContact C-N 3.32Å; A210-T212 PolarHBondContact O-N 2.91Å; A210-A213 WeakPolarHBondContact O-CB 3.29Å; A210-A213 PolarHBondContact O-N 3.18Å; A210-A213 VanDerWaalsContact O-N 3.15Å; A210-V214 WeakPolarHBondContact O-CG2 3.46Å; A210-V214 PolarHBondContact O-N 3.31Å
211A98.8Very high98Very high2 Ų245.7 Ų45.72%0.01726%0.258CS..Hα-helixtrans-61.5-38.9178.900000112.6A17 V18 L21 P207 E208 A213 V214 L215A17-A211 HydrophobicContact CB-CB 3.89Å; V18-A211 HydrophobicContact CB-CB 4.44Å; V18-A211 HydrophobicContact CG2-CB 3.76Å; L21-A211 HydrophobicContact CD2-CB 4.07Å; P207-A211 WeakPolarHBondContact O-CB 3.48Å; P207-A211 PolarHBondContact O-N 3.44Å; E208-A211 PolarHBondContact O-N 2.67Å; A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.73Å; A211-V214 WeakPolarHBondContact O-CB 3.48Å; A211-V214 PolarHBondContact O-N 2.84Å; A211-L215 PolarHBondContact O-N 3.03Å
212T98.7Very high98Very high88 Ų8850.7 Ų50.754%0.5427%0.27SS..Hα-helixtrans-60.2-40.8175.1-59.60000111.5E208 A210 L215 F216E208-T212 PolarHBondContact O-N 3.14Å; E208-T212 PolarHBondContact O-OG1 3.07Å; A210-T212 VanDerWaalsContact C-N 3.32Å; A210-T212 PolarHBondContact O-N 2.91Å; T212-L215 PolarHBondContact O-N 2.85Å; T212-F216 PolarHBondContact O-N 3.49Å
213A98.8Very high98.1Very high13 Ų1349.9 Ų49.911%0.10726%0.255CS..Hα-helixtrans-69.1-38.2175.800000112.8L177 E209 A210 A211 L215 F216 L217 L228 V230L177-A213 HydrophobicContact CD1-CB 3.67Å; L177-A213 HydrophobicContact CD2-CB 4.47Å; E209-A213 PolarHBondContact O-N 3.3Å; A210-A213 WeakPolarHBondContact O-CB 3.29Å; A210-A213 PolarHBondContact O-N 3.18Å; A210-A213 VanDerWaalsContact O-N 3.15Å; A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.73Å; A213-L215 VanDerWaalsContact C-N 3.33Å; A213-F216 PolarHBondContact O-N 3.02Å; A213-L217 WeakPolarHBondContact O-CG 3.48Å; A213-L217 PolarHBondContact O-N 2.92Å; A213-L217 VanDerWaalsContact O-N 3.08Å; A213-L228 HydrophobicContact CB-CD2 3.94Å; A213-V230 HydrophobicContact CB-CG2 3.66Å
214V98.9Very high98.3Very high0 Ų047.2 Ų47.20%025%0.25CS..Hα-helixtrans-58.8-47.4171.51740000110.3V18 V82 V132 I134 L177 A210 A211 F216 L217 L218V18-V214 HydrophobicContact CG1-CG1 3.97Å; V18-V214 HydrophobicContact CG2-CB 3.87Å; V18-V214 HydrophobicContact CG2-CG1 4Å; V18-V214 HydrophobicContact CG2-CG2 3.78Å; V82-V214 HydrophobicContact CG1-CG1 4.17Å; V82-V214 HydrophobicContact CG2-CG1 3.88Å; V132-V214 HydrophobicContact CB-CG1 4.08Å; V132-V214 HydrophobicContact CG1-CB 4.46Å; V132-V214 HydrophobicContact CG1-CG1 4.04Å; V132-V214 HydrophobicContact CG1-CG2 4.13Å; V132-V214 HydrophobicContact CG2-CG1 4.26Å; I134-V214 HydrophobicContact CD1-CG2 3.68Å; L177-V214 HydrophobicContact CD2-CG2 3.57Å; A210-V214 WeakPolarHBondContact O-CG2 3.46Å; A210-V214 PolarHBondContact O-N 3.31Å; A211-V214 WeakPolarHBondContact O-CB 3.48Å; A211-V214 PolarHBondContact O-N 2.84Å; V214-F216 VanDerWaalsContact C-N 3.35Å; V214-F216 PolarHBondContact O-N 3.39Å; V214-L217 PolarHBondContact O-N 3.42Å; V214-L217 VanDerWaalsContact O-N 3.15Å; V214-L218 HydrophobicContact CG1-CD1 3.89Å; V214-L218 HydrophobicContact CG1-CG 4.23Å; V214-L218 WeakPolarHBondContact O-CG 3.48Å; V214-L218 PolarHBondContact O-N 2.87Å
215L98.6Very high98.3Very high11 Ų1147.6 Ų47.66%0.05826%0.255CS..Hα-helixtrans-60.6-43.9179.3-179.962.9000111.9L21 L22 R25 A211 T212 A213 L217 L218 D219L21-L215 HydrophobicContact CD1-CD2 4.27Å; L21-L215 HydrophobicContact CD2-CB 3.95Å; L21-L215 HydrophobicContact CD2-CD2 3.81Å; L21-L215 HydrophobicContact CG-CD2 3.93Å; L22-L215 HydrophobicContact CD2-CD1 3.96Å; R25-L215 HydrophobicContact CG-CD1 4.48Å; R25-L215 HydrophobicContact CG-CD2 3.97Å; A211-L215 PolarHBondContact O-N 3.03Å; T212-L215 PolarHBondContact O-N 2.85Å; A213-L215 VanDerWaalsContact C-N 3.33Å; L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 PolarHBondContact O-N 2.89Å; L215-L218 CarbonylContact O-C 3.56Å; L215-L218 PolarHBondContact O-N 3Å; L215-L218 VanDerWaalsContact O-N 3.13Å; L215-D219 PolarHBondContact O-N 3.19Å
216F98.8Very high98.4Very high111 Ų11152.3 Ų52.349%0.48727%0.274SS..Hα-helixtrans-54.9-47.4173.3165.1-99.7000111.9T212 A213 V214 L218 D219 S220 L228T212-F216 PolarHBondContact O-N 3.49Å; A213-F216 PolarHBondContact O-N 3.02Å; V214-F216 VanDerWaalsContact C-N 3.35Å; V214-F216 PolarHBondContact O-N 3.39Å; F216-L218 VanDerWaalsContact C-N 3.31Å; F216-L218 PolarHBondContact O-N 2.8Å; F216-D219 PolarHBondContact O-N 3.49Å; F216-S220 WeakPolarHBondContact O-CB 3.34Å; F216-S220 PolarHBondContact O-N 3.21Å; F216-L228 HydrophobicContact CD1-CD2 3.95Å; F216-L228 HydrophobicContact CE1-CD2 4.35Å
217L98.8Very high98.4Very high2 Ų251.8 Ų51.81%0.0127%0.271CS..Hα-helixtrans-64.9-35.5177.6-69.3176000112.3V132 R173 N175 L177 A213 V214 L215 D219 V223 L228V132-L217 HydrophobicContact CG1-CD1 4.1Å; V132-L217 HydrophobicContact CG2-CB 3.66Å; V132-L217 HydrophobicContact CG2-CD1 4.33Å; R173-L217 PolarHBondContact NH1-O 3.48Å; N175-L217 HydrophobicContact CB-CB 4.35Å; N175-L217 HydrophobicContact CB-CD1 4.04Å; N175-L217 HydrophobicContact CB-CD2 3.98Å; N175-L217 HydrophobicContact CB-CG 4.36Å; L177-L217 HydrophobicContact CB-CD1 4.34Å; A213-L217 WeakPolarHBondContact O-CG 3.48Å; A213-L217 PolarHBondContact O-N 2.92Å; A213-L217 VanDerWaalsContact O-N 3.08Å; V214-L217 PolarHBondContact O-N 3.42Å; V214-L217 VanDerWaalsContact O-N 3.15Å; L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 PolarHBondContact O-N 2.89Å; L217-D219 VanDerWaalsContact C-N 3.34Å; L217-V223 HydrophobicContact CD2-CG1 3.98Å; L217-L228 HydrophobicContact CD1-CB 4.08Å; L217-L228 HydrophobicContact CD1-CD2 4.29Å; L217-L228 HydrophobicContact CD2-CB 4.18Å; L217-L228 HydrophobicContact CD2-CD2 4.19Å; L217-L228 HydrophobicContact CG-CB 4.45Å; L217-L228 HydrophobicContact CG-CD2 4.05Å
218L98.4Very high98.4Very high0 Ų053.6 Ų53.60%028%0.279CS..Hα-helixtrans-69.3-29175.3-70.4174.7000112.8L22 Y80 V82 A130 V132 R173 V214 L215 F216L22-L218 HydrophobicContact CD1-CD1 4.2Å; L22-L218 HydrophobicContact CD2-CD1 3.92Å; Y80-L218 HydrophobicContact CD1-CB 4.38Å; Y80-L218 HydrophobicContact CD1-CD2 3.9Å; Y80-L218 HydrophobicContact CD2-CD1 4.22Å; Y80-L218 HydrophobicContact CE1-CB 4.29Å; Y80-L218 HydrophobicContact CE2-CB 4.47Å; Y80-L218 HydrophobicContact CG-CD1 4.23Å; Y80-L218 HydrophobicContact CG-CD2 3.98Å; Y80-L218 HydrophobicContact CG-CG 4.49Å; V82-L218 HydrophobicContact CG2-CD1 3.96Å; A130-L218 HydrophobicContact CB-CD2 3.84Å; V132-L218 HydrophobicContact CB-CD2 4.48Å; V132-L218 HydrophobicContact CG2-CD2 3.72Å; V132-L218 HydrophobicContact CG2-CG 3.86Å; R173-L218 PolarHBondContact NH2-O 2.85Å; V214-L218 HydrophobicContact CG1-CD1 3.89Å; V214-L218 HydrophobicContact CG1-CG 4.23Å; V214-L218 WeakPolarHBondContact O-CG 3.48Å; V214-L218 PolarHBondContact O-N 2.87Å; L215-L218 CarbonylContact O-C 3.56Å; L215-L218 PolarHBondContact O-N 3Å; L215-L218 VanDerWaalsContact O-N 3.13Å; F216-L218 VanDerWaalsContact C-N 3.31Å; F216-L218 PolarHBondContact O-N 2.8Å
219D96.8Very high98.4Very high77 Ų7750.4 Ų50.441%0.41227%0.267SS..Hα-helixtrans-96.5-21.6-178.2-73.7-16.9000113.6Y80 L215 F216 L217 S221Y80-D219 PolarHBondContact OH-OD1 2.76Å; L215-D219 PolarHBondContact O-N 3.19Å; F216-D219 PolarHBondContact O-N 3.49Å; L217-D219 VanDerWaalsContact C-N 3.34Å; D219-S221 PolarHBondContact O-N 2.95Å
220S97.9Very high98.4Very high29 Ų2948.8 Ų48.820%0.20326%0.262CS..  trans-76.394.6-173.7-168.30000113.4R173 F216 Y222 V223R173-S220 WeakPolarHBondContact CD-O 3.48Å; R173-S220 PolarHBondContact NH1-O 3.35Å; F216-S220 WeakPolarHBondContact O-CB 3.34Å; F216-S220 PolarHBondContact O-N 3.21Å; S220-Y222 PolarHBondContact O-N 2.95Å; S220-Y222 VanDerWaalsContact O-N 3.09Å; S220-V223 PolarHBondContact O-N 2.95Å; S220-V223 VanDerWaalsContact O-N 3.11Å; S220-V223 WeakPolarHBondContact OG-CG2 3.2Å
221S97.1Very high98.4Very high103 Ų10349.6 Ų49.672%0.7227%0.266SS*.THydrogen-bonded Turntrans-63.7-15.6-170.759.90000115.8R173 D219R173-S221 WeakPolarHBondContact CD-O 3.35Å; D219-S221 PolarHBondContact O-N 2.95Å
222Y97.9Very high98.3Very high225 Ų22550.6 Ų50.688%0.88228%0.276SS*.THydrogen-bonded Turntrans-113.112.8178.6-154.8-118.8000113.5S220S220-Y222 PolarHBondContact O-N 2.95Å; S220-Y222 VanDerWaalsContact O-N 3.09Å
223V98.7Very high98.2Very high32 Ų3247.2 Ų47.219%0.19426%0.259CS..  trans-110.9115.2177.4176.50000109.6R173 N175 L217 S220 Q226R173-V223 WeakPolarHBondContact CD-O 3.49Å; N175-V223 PolarHBondContact ND2-O 3.43Å; L217-V223 HydrophobicContact CD2-CG1 3.98Å; S220-V223 PolarHBondContact O-N 2.95Å; S220-V223 VanDerWaalsContact O-N 3.11Å; S220-V223 WeakPolarHBondContact OG-CG2 3.2Å; V223-Q226 HydrophobicContact CG1-CB 3.98Å; V223-Q226 HydrophobicContact CG1-CG 3.88Å
224T98.8Very high98Very high47 Ų4747.2 Ų47.229%0.28826%0.257SS..  trans-148.2149.4173.4-164.80000110.6R173 V174 N175 Q226R173-T224 WeakPolarHBondContact CA-OG1 3.42Å; V174-T224 PolarHBondContact N-OG1 3.01Å; V174-T224 VanDerWaalsContact N-OG1 3.11Å; N175-T224 VanDerWaalsContact OD1-C 3.28Å; N175-T224 WeakPolarHBondContact OD1-CA 3.29Å; N175-T224 PolarHBondContact OD1-N 3.35Å; T224-Q226 PolarHBondContact O-N 2.99Å; T224-Q226 PolarHBondContact O-NE2 2.99Å
225G98.6Very high97.6Very high11 Ų1151.3 Ų51.311%0.11328%0.276CS..SBendtrans69.412.3-177.100000114.5R161 V174 N175R161-G225 WeakPolarHBondContact CG-O 3.3Å; V174-G225 WeakPolarHBondContact O-CA 3.48Å; V174-G225 PolarHBondContact O-N 3.41Å; N175-G225 PolarHBondContact OD1-N 3.45Å
226Q98.8Very high97.2Very high111 Ų11157.3 Ų57.352%0.51931%0.308SS..  trans-94.7152.2-175.1-61.7-51.4-49.800112.7N175 L176 V223 T224N175-Q226 PolarHBondContact OD1-N 2.89Å; L176-Q226 PolarHBondContact N-O 3.46Å; V223-Q226 HydrophobicContact CG1-CB 3.98Å; V223-Q226 HydrophobicContact CG1-CG 3.88Å; T224-Q226 PolarHBondContact O-N 2.99Å; T224-Q226 PolarHBondContact O-NE2 2.99Å
227V98.7Very high96Very high34 Ų3453.8 Ų53.821%0.20630%0.299CS..EExtended strand (participates in β ladder)trans-106.4113.6168.3176.90000107.4L140 E157 L176 A178 V229L140-V227 HydrophobicContact CD1-CG1 4.11Å; L140-V227 HydrophobicContact CD2-CG1 4.3Å; E157-V227 HydrophobicContact CG-CG2 3.74Å; L176-V227 HydrophobicContact CB-CG2 4.35Å; L176-V227 HydrophobicContact CD2-CB 4.32Å; L176-V227 HydrophobicContact CD2-CG1 3.67Å; L176-V227 HydrophobicContact CD2-CG2 4.07Å; L176-V227 CarbonylContact O-C 3.51Å; L176-V227 WeakPolarHBondContact O-CA 3.32Å; A178-V227 HydrophobicContact CB-CG1 3.79Å; V227-V229 HydrophobicContact CG1-CG2 4.28Å
228L98.8Very high93.9Very high54 Ų5466.1 Ų66.128%0.28336%0.36SS..EExtended strand (participates in β ladder)trans-95.9121.7171.7179.560.2000108.9L176 L177 A178 A213 F216 L217 V230L176-L228 PolarHBondContact O-N 3.3Å; L177-L228 CarbonylContact C-O 3.49Å; L177-L228 WeakPolarHBondContact CA-O 3.43Å; L177-L228 HydrophobicContact CD1-CB 4.42Å; L177-L228 HydrophobicContact CD1-CD2 4.39Å; L177-L228 HydrophobicContact CD1-CG 4.33Å; A178-L228 PolarHBondContact N-O 3.28Å; A213-L228 HydrophobicContact CB-CD2 3.94Å; F216-L228 HydrophobicContact CD1-CD2 3.95Å; F216-L228 HydrophobicContact CE1-CD2 4.35Å; L217-L228 HydrophobicContact CD1-CB 4.08Å; L217-L228 HydrophobicContact CD1-CD2 4.29Å; L217-L228 HydrophobicContact CD2-CB 4.18Å; L217-L228 HydrophobicContact CD2-CD2 4.19Å; L217-L228 HydrophobicContact CG-CB 4.45Å; L217-L228 HydrophobicContact CG-CD2 4.05Å; L228-V230 HydrophobicContact CG-CG2 4.32Å
229V98.6Very high93.6Very high37 Ų3769.5 Ų69.522%0.22438%0.378CS..EExtended strand (participates in β ladder)trans-93.8131.5178.1-177.50000110.3V137 L140 A178 V227 D231 Q235V137-V229 HydrophobicContact CG1-CG1 3.7Å; L140-V229 HydrophobicContact CD1-CG2 3.72Å; A178-V229 HydrophobicContact CB-CG2 4.1Å; A178-V229 WeakPolarHBondContact O-CA 3.36Å; V227-V229 HydrophobicContact CG1-CG2 4.28Å; V229-D231 HydrophobicContact CG1-CB 3.88Å; V229-D231 VanDerWaalsContact CG1-CG 3.43Å; V229-Q235 HydrophobicContact CG1-CG 4.45Å; V229-Q235 VanDerWaalsContact CG1-NE2 3.31Å
230V98.3Very high93.5Very high38 Ų3869.1 Ų69.123%0.2338%0.376CS..EExtended strand (participates in β ladder)trans-132.386.6176.3-179.50000108.6L177 A178 P179 G180 A213 L228L177-V230 HydrophobicContact CD1-CB 4.15Å; L177-V230 HydrophobicContact CD1-CG2 3.54Å; A178-V230 PolarHBondContact O-N 3.47Å; P179-V230 CarbonylContact C-O 3.5Å; P179-V230 VanDerWaalsContact CA-O 3.31Å; P179-V230 WeakPolarHBondContact CA-O 3.34Å; G180-V230 PolarHBondContact N-O 3.06Å; A213-V230 HydrophobicContact CB-CG2 3.66Å; L228-V230 HydrophobicContact CG-CG2 4.32Å
231D97.6Very high93.2Very high17 Ų1771.3 Ų71.39%0.09139%0.385CS..SBendtrans-139.711.3-168.173.2-14.4000114.1V137 V229 G233 L234 Q235V137-D231 HydrophobicContact CG1-CB 3.69Å; V229-D231 HydrophobicContact CG1-CB 3.88Å; V229-D231 VanDerWaalsContact CG1-CG 3.43Å; D231-G233 PolarHBondContact O-N 3.19Å; D231-G233 WeakPolarHBondContact OD1-CA 3.4Å; D231-G233 PolarHBondContact OD1-N 3.4Å; D231-L234 HydrophobicContact CB-CB 4.05Å; D231-L234 WeakPolarHBondContact O-CB 3.28Å; D231-L234 PolarHBondContact O-N 3.15Å; D231-L234 VanDerWaalsContact O-N 3.13Å; D231-L234 PolarHBondContact OD1-N 3.4Å; D231-L234 PolarHBondContact OD2-N 3.06Å; D231-Q235 VanDerWaalsContact OD2-CB 3.28Å; D231-Q235 WeakPolarHBondContact OD2-CB 3.48Å; D231-Q235 VanDerWaalsContact OD2-CG 3.29Å; D231-Q235 WeakPolarHBondContact OD2-CG 3.31Å; D231-Q235 PolarHBondContact OD2-N 2.79Å
232G97.4Very high93Very high23 Ų2369.4 Ų69.424%0.23737%0.366CS..THydrogen-bonded Turntrans61.822-176.500000114.3I199 P200 L201I199-G232 WeakPolarHBondContact CG2-O 3.44Å; P200-G232 VanDerWaalsContact CD-O 3.27Å; P200-G232 WeakPolarHBondContact CD-O 3.41Å; L201-G232 PolarHBondContact N-O 3.11Å
233G96.3Very high92.7Very high16 Ų1659.7 Ų59.717%0.16533%0.333CS..THydrogen-bonded Turntrans878.1-177.600000114.2P200 D231 Q235 L236P200-G233 VanDerWaalsContact CD-C 3.43Å; P200-G233 WeakPolarHBondContact CD-O 3.34Å; P200-G233 WeakPolarHBondContact CG-O 3.36Å; D231-G233 PolarHBondContact O-N 3.19Å; D231-G233 WeakPolarHBondContact OD1-CA 3.4Å; D231-G233 PolarHBondContact OD1-N 3.4Å; G233-Q235 PolarHBondContact O-N 3.38Å; G233-L236 WeakPolarHBondContact O-CB 3.42Å; G233-L236 PolarHBondContact O-N 3.17Å
234L94.1Very high92.3Very high13 Ų1361.5 Ų61.57%0.06834%0.343CS..THydrogen-bonded Turntrans-55.8-32.3-177.3175.261.6000113.7V137 K141 F181 A198 I199 D231 L236V137-L234 HydrophobicContact CG2-CD2 4.4Å; K141-L234 PolarHBondContact NZ-O 3.21Å; F181-L234 HydrophobicContact CD2-CD2 3.65Å; F181-L234 HydrophobicContact CE2-CD2 3.6Å; A198-L234 HydrophobicContact CB-CD1 4.27Å; I199-L234 HydrophobicContact CG1-CB 4.31Å; I199-L234 HydrophobicContact CG1-CD1 4.03Å; D231-L234 HydrophobicContact CB-CB 4.05Å; D231-L234 WeakPolarHBondContact O-CB 3.28Å; D231-L234 PolarHBondContact O-N 3.15Å; D231-L234 VanDerWaalsContact O-N 3.13Å; D231-L234 PolarHBondContact OD1-N 3.4Å; D231-L234 PolarHBondContact OD2-N 3.06Å; L234-L236 PolarHBondContact O-N 3.19Å
235Q91.8Very high91.8Very high86 Ų8662.6 Ų62.640%0.40235%0.347SS..THydrogen-bonded Turntrans-71.7-17.2176.868.5178.4-2400113.8K141 V229 D231 G233K141-Q235 HydrophobicContact CD-CB 4.38Å; V229-Q235 HydrophobicContact CG1-CG 4.45Å; V229-Q235 VanDerWaalsContact CG1-NE2 3.31Å; D231-Q235 VanDerWaalsContact OD2-CB 3.28Å; D231-Q235 WeakPolarHBondContact OD2-CB 3.48Å; D231-Q235 VanDerWaalsContact OD2-CG 3.29Å; D231-Q235 WeakPolarHBondContact OD2-CG 3.31Å; D231-Q235 PolarHBondContact OD2-N 2.79Å; G233-Q235 PolarHBondContact O-N 3.38Å
236L88.8Confident91.3Very high138 Ų13866.5 Ų66.572%0.72337%0.365SS*.THydrogen-bonded Turntrans-84.7-25.6178.4-54177.6000112G233 L234 M238G233-L236 WeakPolarHBondContact O-CB 3.42Å; G233-L236 PolarHBondContact O-N 3.17Å; L234-L236 PolarHBondContact O-N 3.19Å; L236-M238 PolarHBondContact O-N 3.13Å
237A73.3Confident90.7Very high37 Ų3762.8 Ų62.831%0.30635%0.352SS..  trans-71.9117.9176.800000109.5A198A198-A237 WeakPolarHBondContact O-CB 3.33Å
238M54.4Low89.9Confident261 Ų26165.5 Ų65.5100%1.28637%0.365SS*.  trans-68.70171.3-72.4-166.1-76.100111.2L236L236-M238 PolarHBondContact O-N 3.13Å

Retrieved 238 of 238 residues in 841 ms (Link to these results)

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