A0A087YD87_POEFO Loading...

Pleckstrin homology domain-containing family J member 1

AlphaFold DB (A0A3B3U4N5), UniProt , Accession A0A087YD87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 158 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
1M54Low82.4Confident181 Ų181111.9 Ų111.989%0.89253%0.527SS*.  0157.70-74.7176.6-172.400110.1F3M1-F3 HydrophobicContact CB-CD2 4.33Å; M1-F3 HydrophobicContact CB-CE1 4.29Å; M1-F3 HydrophobicContact CB-CE2 3.57Å; M1-F3 HydrophobicContact CB-CZ 3.54Å; M1-F3 HydrophobicContact CG-CZ 4.25Å; M1-F3 HydrophobicContact SD-CE1 4.26Å; M1-F3 HydrophobicContact SD-CZ 3.7Å
2R62.1Low83.6Confident254 Ų254102.7 Ų102.796%0.95848%0.484SS*.  trans-100.8123.4170.2-73.8-174.9178.4176.60108.6
3F68.4Low84.5Confident86 Ų86105.7 Ų105.738%0.37749%0.488SS..  trans-114.3147.3177.2-60.2-77.4000110.5M1 L8 F44 L60M1-F3 HydrophobicContact CB-CD2 4.33Å; M1-F3 HydrophobicContact CB-CE1 4.29Å; M1-F3 HydrophobicContact CB-CE2 3.57Å; M1-F3 HydrophobicContact CB-CZ 3.54Å; M1-F3 HydrophobicContact CG-CZ 4.25Å; M1-F3 HydrophobicContact SD-CE1 4.26Å; M1-F3 HydrophobicContact SD-CZ 3.7Å; F3-L8 HydrophobicContact CB-CD1 4Å; F3-L8 HydrophobicContact CB-CG 4.1Å; F3-F44 HydrophobicContact CE1-CZ 4.11Å; F3-F44 HydrophobicContact CE2-CZ 4.03Å; F3-F44 AromaticContact CZ-CZ 3.78Å; F3-F44 HydrophobicContact CZ-CZ 3.78Å; F3-L60 HydrophobicContact CE2-CD2 4.11Å; F3-L60 HydrophobicContact CZ-CD2 4.44Å
4N84.4Confident85.3Confident79 Ų79105.2 Ų105.242%0.42249%0.486SS..  trans-81.7132168.8177.15.3000109.1K6 E7 L8N4-K6 PolarHBondContact O-N 3.16Å; N4-K6 PolarHBondContact OD1-N 3.32Å; N4-K6 VanDerWaalsContact OD1-N 3.13Å; N4-E7 HydrophobicContact CB-CB 4.15Å; N4-E7 HydrophobicContact CB-CG 3.86Å; N4-E7 WeakPolarHBondContact O-CB 3.43Å; N4-E7 PolarHBondContact O-N 3.2Å; N4-L8 PolarHBondContact O-N 3.15Å; N4-L8 VanDerWaalsContact O-N 3.07Å
5E85.2Confident86.1Confident164 Ų164106.3 Ų106.377%0.76651%0.507SS*.Hα-helixtrans-53.8-38.3177.1-68.5178.3171.400111.7E7 L8 V9E5-E7 VanDerWaalsContact C-N 3.32Å; E5-E7 PolarHBondContact O-N 3.33Å; E5-L8 PolarHBondContact O-N 3.07Å; E5-V9 WeakPolarHBondContact O-CG2 3.23Å; E5-V9 PolarHBondContact O-N 3.13Å
6K89.3Confident86.7Confident161 Ų161102.1 Ų102.170%0.749%0.492SS*.Hα-helixtrans-63.8-36.9176.6-64.8-176.8177.6-179.70112.7N4 C10N4-K6 PolarHBondContact O-N 3.16Å; N4-K6 PolarHBondContact OD1-N 3.32Å; N4-K6 VanDerWaalsContact OD1-N 3.13Å; K6-C10 PolarHBondContact O-N 3.14Å; K6-C10 PolarHBondContact O-SG 2.72Å
7E90.6Very high87.3Confident117 Ų117102.8 Ų102.855%0.54749%0.494SS..Hα-helixtrans-70.2-39.8177.6-69.7170.7173.700111N4 E5 C10 L11N4-E7 HydrophobicContact CB-CB 4.15Å; N4-E7 HydrophobicContact CB-CG 3.86Å; N4-E7 WeakPolarHBondContact O-CB 3.43Å; N4-E7 PolarHBondContact O-N 3.2Å; E5-E7 VanDerWaalsContact C-N 3.32Å; E5-E7 PolarHBondContact O-N 3.33Å; E7-C10 PolarHBondContact O-N 3.07Å; E7-L11 WeakPolarHBondContact O-CB 3.38Å; E7-L11 PolarHBondContact O-N 3.29Å
8L90.5Very high87.9Confident43 Ų4398.9 Ų98.923%0.22548%0.476CS..Hα-helixtrans-63.1-41.8174.8-81171000112F3 N4 E5 L11 S12 F44 F46F3-L8 HydrophobicContact CB-CD1 4Å; F3-L8 HydrophobicContact CB-CG 4.1Å; N4-L8 PolarHBondContact O-N 3.15Å; N4-L8 VanDerWaalsContact O-N 3.07Å; E5-L8 PolarHBondContact O-N 3.07Å; L8-L11 PolarHBondContact O-N 2.99Å; L8-S12 WeakPolarHBondContact O-CB 3.48Å; L8-S12 PolarHBondContact O-N 2.78Å; L8-F44 HydrophobicContact CD2-CD1 4.07Å; L8-F44 HydrophobicContact CD2-CE1 3.64Å; L8-F44 HydrophobicContact CD2-CZ 3.97Å; L8-F46 HydrophobicContact CD2-CE1 4.17Å; L8-F46 HydrophobicContact CD2-CZ 4.16Å
9V93.6Very high88.4Confident30 Ų3096.6 Ų96.618%0.18248%0.475CS..Hα-helixtrans-61.7-46.5174.4173.30000110.4E5 L11 S12 R13 E54E5-V9 WeakPolarHBondContact O-CG2 3.23Å; E5-V9 PolarHBondContact O-N 3.13Å; V9-L11 VanDerWaalsContact C-N 3.35Å; V9-L11 PolarHBondContact O-N 3.43Å; V9-S12 PolarHBondContact O-N 2.87Å; V9-S12 PolarHBondContact O-OG 3.46Å; V9-R13 PolarHBondContact O-N 3.26Å; V9-E54 HydrophobicContact CG1-CG 4.34Å
10C94Very high88.9Confident81 Ų8192.7 Ų92.755%0.54746%0.459SS..Hα-helixtrans-59.8-43.1175.6-73.20000112.5K6 E7 S12 R13K6-C10 PolarHBondContact O-N 3.14Å; K6-C10 PolarHBondContact O-SG 2.72Å; E7-C10 PolarHBondContact O-N 3.07Å; C10-S12 VanDerWaalsContact C-N 3.34Å; C10-S12 PolarHBondContact O-N 2.89Å; C10-R13 PolarHBondContact O-N 3.27Å
11L94.8Very high89.3Confident35 Ų3592.3 Ų92.318%0.18346%0.455CS..Hα-helixtrans-62.2-42.4177.6-177.259.8000111.3E7 L8 V9 R13 Q14 V41 F44 F46E7-L11 WeakPolarHBondContact O-CB 3.38Å; E7-L11 PolarHBondContact O-N 3.29Å; L8-L11 PolarHBondContact O-N 2.99Å; V9-L11 VanDerWaalsContact C-N 3.35Å; V9-L11 PolarHBondContact O-N 3.43Å; L11-R13 PolarHBondContact O-N 3.01Å; L11-Q14 HydrophobicContact CD1-CG 4.44Å; L11-Q14 WeakPolarHBondContact O-CB 3.48Å; L11-Q14 PolarHBondContact O-N 3.35Å; L11-V41 HydrophobicContact CD1-CG1 4.07Å; L11-V41 HydrophobicContact CG-CG1 4.32Å; L11-F44 HydrophobicContact CD2-CD2 3.52Å; L11-F44 HydrophobicContact CD2-CE2 3.7Å; L11-F44 HydrophobicContact CD2-CG 4.25Å; L11-F46 HydrophobicContact CB-CZ 4.19Å; L11-F46 HydrophobicContact CD2-CE2 4.38Å; L11-F46 HydrophobicContact CD2-CZ 4.1Å; L11-F46 HydrophobicContact CG-CE2 4.14Å; L11-F46 HydrophobicContact CG-CZ 4.05Å
12S96Very high91.5Very high1 Ų183.7 Ų83.71%0.00741%0.413CS..Hα-helixtrans-60.2-20.6-179.981.70000114.2L8 V9 C10 K39L8-S12 WeakPolarHBondContact O-CB 3.48Å; L8-S12 PolarHBondContact O-N 2.78Å; V9-S12 PolarHBondContact O-N 2.87Å; V9-S12 PolarHBondContact O-OG 3.46Å; C10-S12 VanDerWaalsContact C-N 3.34Å; C10-S12 PolarHBondContact O-N 2.89Å; S12-K39 PolarHBondContact O-NZ 3.21Å
13R95.3Very high93.2Very high142 Ų14271.9 Ų71.954%0.53637%0.37SS..THydrogen-bonded Turntrans-88.3-10178.2-65175.8-178.4-178.71.2113.6V9 C10 L11V9-R13 PolarHBondContact O-N 3.26Å; C10-R13 PolarHBondContact O-N 3.27Å; L11-R13 PolarHBondContact O-N 3.01Å
14Q96.4Very high94.6Very high99 Ų9968.3 Ų68.346%0.46336%0.355SS..SBendtrans-66.4162.2175.3-65.4-170.3-3.100111.4L11 S16 V41L11-Q14 HydrophobicContact CD1-CG 4.44Å; L11-Q14 WeakPolarHBondContact O-CB 3.48Å; L11-Q14 PolarHBondContact O-N 3.35Å; Q14-S16 PolarHBondContact O-N 3.49Å; Q14-V41 HydrophobicContact CB-CG1 4.07Å
15P96.5Very high95.1Very high122 Ų12268 Ų6879%0.79235%0.348SS*.PPolyproline II helixtrans-53.5131.9171.5-25.235.3000110.8
16S96.8Very high95.5Very high39 Ų3960.8 Ų60.827%0.27332%0.318SS..PPolyproline II helixtrans-96141.2178.850.10000111Q14 M18 L40Q14-S16 PolarHBondContact O-N 3.49Å; S16-M18 VanDerWaalsContact C-N 3.27Å; S16-M18 PolarHBondContact O-N 3.34Å; S16-L40 CarbonylContact C-O 3.6Å; S16-L40 WeakPolarHBondContact CA-O 3.37Å; S16-L40 WeakPolarHBondContact CB-O 3.41Å
17E96.8Very high95.4Very high113 Ų11354.7 Ų54.753%0.52830%0.295SS..SBendtrans-63.3-38.1170.1-65.278.5-169.900111.1L40 V41 V42E17-L40 HydrophobicContact CB-CD2 4.35Å; E17-L40 HydrophobicContact CB-CG 4.44Å; E17-L40 PolarHBondContact N-O 2.92Å; E17-L40 VanDerWaalsContact OE2-C 3.24Å; E17-V41 WeakPolarHBondContact OE2-CA 3.22Å; E17-V41 PolarHBondContact OE2-N 2.76Å; E17-V42 PolarHBondContact OE1-N 2.66Å; E17-V42 VanDerWaalsContact OE1-N 3.15Å; E17-V42 PolarHBondContact OE2-N 2.72Å
18M97.9Very high95.3Very high33 Ų3357.2 Ų57.216%0.16330%0.304CS..EExtended strand (participates in β ladder)trans-142.4142.9174.5-69.5-17174.300110.9S16 K39 L40 E98 W99 S102S16-M18 VanDerWaalsContact C-N 3.27Å; S16-M18 PolarHBondContact O-N 3.34Å; M18-K39 CarbonylContact O-C 3.48Å; M18-K39 WeakPolarHBondContact O-CA 3.48Å; M18-L40 HydrophobicContact CB-CB 4.32Å; M18-L40 PolarHBondContact O-N 3.41Å; M18-E98 HydrophobicContact CE-CB 3.82Å; M18-W99 HydrophobicContact CB-CE3 4.36Å; M18-W99 HydrophobicContact CB-CH2 3.71Å; M18-W99 HydrophobicContact CB-CZ2 4.04Å; M18-W99 HydrophobicContact CB-CZ3 3.89Å; M18-W99 HydrophobicContact CE-CD2 3.91Å; M18-W99 HydrophobicContact CE-CG 4.01Å; M18-W99 HydrophobicContact CE-CZ2 4.44Å; M18-W99 HydrophobicContact SD-CD2 4.26Å; M18-W99 HydrophobicContact SD-CE3 4.3Å; M18-S102 WeakPolarHBondContact SD-CB 3.3Å; M18-S102 PolarHBondContact SD-OG 2.66Å
19A97.8Very high94.8Very high55 Ų5565.5 Ų65.546%0.45534%0.338SS..EExtended strand (participates in β ladder)trans-145130.5171.500000110.2V38 K39A19-V38 VanDerWaalsContact CA-O 3.27Å; A19-V38 WeakPolarHBondContact CA-O 3.38Å; A19-K39 HydrophobicContact CB-CG 3.95Å
20A98Very high94.1Very high19 Ų1967.5 Ų67.516%0.15737%0.365CS..EExtended strand (participates in β ladder)trans-157.8158.8176.300000110.2L22 V38 W99A20-L22 HydrophobicContact CB-CD2 4.44Å; A20-V38 PolarHBondContact N-O 2.97Å; A20-V38 PolarHBondContact O-N 3.35Å; A20-W99 HydrophobicContact CB-CZ2 3.72Å
21E98Very high93.8Very high84 Ų8465.9 Ų65.939%0.39335%0.351SS..EExtended strand (participates in β ladder)trans-79.6128.5164.9-58.9-175.4-174.500110.2R35 R36 I50E21-R35 HydrophobicContact CB-CG 4.33Å; E21-R35 VanDerWaalsContact CB-NE 3.31Å; E21-R35 PolarHBondContact O-NH1 3.48Å; E21-R35 PolarHBondContact O-NH2 3.08Å; E21-R35 IonicContact OE2-CZ 3.49Å; E21-R35 IonicContact OE2-NE 2.72Å; E21-R35 PolarHBondContact OE2-NE 2.91Å; E21-R35 IonicContact OE2-NH2 3.66Å; E21-R36 CarbonylContact C-O 3.44Å; E21-R36 VanDerWaalsContact CA-O 3.26Å; E21-R36 WeakPolarHBondContact CA-O 3.48Å; E21-I50 HydrophobicContact CB-CD1 4.38Å; E21-I50 HydrophobicContact CG-CD1 3.77Å
22L98.3Very high93.7Very high0 Ų068.5 Ų68.50%037%0.368CS..EExtended strand (participates in β ladder)trans-128.5151.2178.5-59.3177.9000109.5A20 R35 R36 V38 F74 F88 E89 C90 W99A20-L22 HydrophobicContact CB-CD2 4.44Å; L22-R35 CarbonylContact O-C 3.48Å; L22-R35 WeakPolarHBondContact O-CA 3.24Å; L22-R36 PolarHBondContact N-O 3.28Å; L22-R36 PolarHBondContact O-N 3.29Å; L22-V38 HydrophobicContact CB-CG2 4.13Å; L22-V38 HydrophobicContact CD1-CB 4.04Å; L22-V38 HydrophobicContact CD1-CG1 4.36Å; L22-V38 HydrophobicContact CD1-CG2 4.08Å; L22-V38 HydrophobicContact CG-CB 4.45Å; L22-V38 HydrophobicContact CG-CG2 4.32Å; L22-F74 HydrophobicContact CD1-CE1 4.48Å; L22-F74 HydrophobicContact CD1-CZ 4.45Å; L22-F88 HydrophobicContact CD1-CB 4.46Å; L22-F88 HydrophobicContact CD1-CD1 4.16Å; L22-E89 WeakPolarHBondContact CA-O 3.48Å; L22-C90 HydrophobicContact CD2-CB 4.34Å; L22-W99 HydrophobicContact CD1-CD2 4.14Å; L22-W99 HydrophobicContact CD1-CG 4.41Å; L22-W99 HydrophobicContact CD1-CZ2 4.2Å
23G98.3Very high93.7Very high6 Ų671 Ų716%0.06238%0.384CS..EExtended strand (participates in β ladder)trans-67132.215900000108.3F88 E89G23-F88 CarbonylContact O-C 3.57Å; G23-F88 WeakPolarHBondContact O-CA 3.48Å; G23-E89 PolarHBondContact N-O 2.63Å; G23-E89 PolarHBondContact O-N 2.93Å
24M97.3Very high93.8Very high11 Ų1168.1 Ų68.15%0.05438%0.375CS..EExtended strand (participates in β ladder)trans-133.6133.6-179.6-176-173.7175.500110.6V33 K34 R36 Y47 Y86 L87 F88M24-V33 WeakPolarHBondContact O-CA 3.32Å; M24-K34 PolarHBondContact N-O 2.94Å; M24-K34 PolarHBondContact O-N 3.25Å; M24-R36 HydrophobicContact CB-CB 4.2Å; M24-R36 HydrophobicContact CB-CG 3.82Å; M24-R36 HydrophobicContact SD-CB 4.44Å; M24-R36 HydrophobicContact SD-CG 4.04Å; M24-Y47 HydrophobicContact CE-CD1 3.7Å; M24-Y47 HydrophobicContact CE-CD2 3.74Å; M24-Y47 HydrophobicContact CE-CE1 3.79Å; M24-Y47 HydrophobicContact CE-CE2 3.84Å; M24-Y47 HydrophobicContact CE-CG 3.68Å; M24-Y47 HydrophobicContact SD-CD1 4.16Å; M24-Y47 HydrophobicContact SD-CD2 3.59Å; M24-Y47 VanDerWaalsContact SD-CD2 3.59Å; M24-Y47 HydrophobicContact SD-CE2 4.23Å; M24-Y47 HydrophobicContact SD-CG 3.56Å; M24-Y47 VanDerWaalsContact SD-CG 3.56Å; M24-Y86 HydrophobicContact CE-CD1 3.58Å; M24-Y86 HydrophobicContact CE-CE1 3.97Å; M24-L87 CarbonylContact C-O 3.59Å; M24-L87 WeakPolarHBondContact CA-O 3.27Å; M24-F88 HydrophobicContact CB-CD1 4.31Å; M24-F88 HydrophobicContact CB-CE1 4.37Å; M24-F88 HydrophobicContact CE-CE1 4.17Å; M24-F88 HydrophobicContact CE-CZ 4.12Å; M24-F88 HydrophobicContact CG-CD1 4.07Å; M24-F88 HydrophobicContact CG-CE1 3.71Å; M24-F88 HydrophobicContact CG-CZ 4.33Å; M24-F88 HydrophobicContact SD-CE1 3.91Å; M24-F88 HydrophobicContact SD-CZ 4.46Å
25R95.9Very high93.9Very high72 Ų7268 Ų6827%0.27237%0.37SS..EExtended strand (participates in β ladder)trans-127.2127.3172.9171.5164.434.283.4-4.2109.5D31 V33 Y86 L87R25-D31 WeakPolarHBondContact CD-O 3.5Å; R25-D31 HydrophobicContact CG-CB 4.38Å; R25-V33 HydrophobicContact CB-CG2 4.06Å; R25-Y86 WeakPolarHBondContact O-CA 3.39Å; R25-L87 PolarHBondContact N-O 2.81Å; R25-L87 PolarHBondContact O-N 3.47Å
26G92.6Very high93.9Very high13 Ų1364.1 Ų64.113%0.13434%0.34CS..  trans-76.9173.917900000112.9K28 D31G26-K28 PolarHBondContact O-N 3.32Å; G26-D31 WeakPolarHBondContact CA-OD2 3.5Å; G26-D31 PolarHBondContact N-OD2 2.88Å
27P88.8Confident94Very high34 Ų3464.8 Ų64.822%0.22134%0.34CS..SBendtrans-73-5.5-176.926.4-35000114.9R84 Y86P27-R84 HydrophobicContact CB-CB 3.5Å; P27-R84 VanDerWaalsContact CB-CB 3.5Å; P27-R84 HydrophobicContact CB-CG 4Å; P27-Y86 VanDerWaalsContact CD-CZ 3.44Å; P27-Y86 HydrophobicContact CG-CD2 4.5Å; P27-Y86 HydrophobicContact CG-CE1 4.21Å; P27-Y86 HydrophobicContact CG-CE2 3.93Å
28K87.4Confident94.1Very high170 Ų17059.4 Ų59.474%0.73932%0.315SS*.SBendtrans-74.4132.1-176.1-68.8-178.9-179.61770110.2G26 G30 D31G26-K28 PolarHBondContact O-N 3.32Å; K28-G30 PolarHBondContact O-N 3.47Å; K28-D31 HydrophobicContact CB-CB 4.29Å; K28-D31 VanDerWaalsContact O-CB 3.3Å; K28-D31 WeakPolarHBondContact O-CB 3.06Å; K28-D31 PolarHBondContact O-N 3.01Å
29K79.8Confident94.1Very high216 Ų21659.4 Ų59.494%0.93931%0.314SS*.THydrogen-bonded Turntrans-58.6124.8175.9-169.3175.7-177.5176.40110
30G80.3Confident94.1Very high73 Ų7357 Ų5775%0.75329%0.293SS*.THydrogen-bonded Turntrans83.55.1-177.300000114.9K28K28-G30 PolarHBondContact O-N 3.47Å
31D86.9Confident94.1Very high47 Ų4756.1 Ų56.125%0.25129%0.286SS..  trans-66.4144.8168.2-161.423.5000110R25 G26 K28 K34R25-D31 WeakPolarHBondContact CD-O 3.5Å; R25-D31 HydrophobicContact CG-CB 4.38Å; G26-D31 WeakPolarHBondContact CA-OD2 3.5Å; G26-D31 PolarHBondContact N-OD2 2.88Å; K28-D31 HydrophobicContact CB-CB 4.29Å; K28-D31 VanDerWaalsContact O-CB 3.3Å; K28-D31 WeakPolarHBondContact O-CB 3.06Å; K28-D31 PolarHBondContact O-N 3.01Å; D31-K34 IonicContact OD1-NZ 3.94Å; D31-K34 PolarHBondContact OD1-NZ 2.88Å
32V93Very high94Very high90 Ų9055.3 Ų55.355%0.54529%0.286SS..  trans-105.4155.2-178.5-630000109.5K34V32-K34 HydrophobicContact CG2-CG 4.26Å; V32-K34 PolarHBondContact O-N 3.5Å
33V96.2Very high93.8Very high54 Ų5456.8 Ų56.833%0.32730%0.295SS..  trans-64.6133.2173.8-1780000109.1M24 R25 E89M24-V33 WeakPolarHBondContact O-CA 3.32Å; R25-V33 HydrophobicContact CB-CG2 4.06Å; V33-E89 WeakPolarHBondContact CG2-OE1 3.35Å
34K96.8Very high93.8Very high81 Ų8157.2 Ų57.235%0.35230%0.295SS..EExtended strand (participates in β ladder)trans-132.6137.3176.9-59.7169.5-174.2140.60108.9M24 D31 V32 R36M24-K34 PolarHBondContact N-O 2.94Å; M24-K34 PolarHBondContact O-N 3.25Å; D31-K34 IonicContact OD1-NZ 3.94Å; D31-K34 PolarHBondContact OD1-NZ 2.88Å; V32-K34 HydrophobicContact CG2-CG 4.26Å; V32-K34 PolarHBondContact O-N 3.5Å; K34-R36 VanDerWaalsContact CB-NH1 3.34Å; K34-R36 PolarHBondContact O-N 3.49Å
35R97.8Very high93.8Very high95 Ų9556.7 Ų56.736%0.35829%0.292SS..EExtended strand (participates in β ladder)trans-65.3131.7173.8-161.771.3168.8177.7-1.1109.6E21 L22 I50 D91E21-R35 HydrophobicContact CB-CG 4.33Å; E21-R35 VanDerWaalsContact CB-NE 3.31Å; E21-R35 PolarHBondContact O-NH1 3.48Å; E21-R35 PolarHBondContact O-NH2 3.08Å; E21-R35 IonicContact OE2-CZ 3.49Å; E21-R35 IonicContact OE2-NE 2.72Å; E21-R35 PolarHBondContact OE2-NE 2.91Å; E21-R35 IonicContact OE2-NH2 3.66Å; L22-R35 CarbonylContact O-C 3.48Å; L22-R35 WeakPolarHBondContact O-CA 3.24Å; R35-I50 HydrophobicContact CG-CD1 4.1Å; R35-I50 HydrophobicContact CG-CG1 4.46Å; R35-D91 IonicContact CZ-OD1 2.88Å; R35-D91 IonicContact CZ-OD2 3.37Å; R35-D91 IonicContact NH1-OD1 2.7Å; R35-D91 PolarHBondContact NH1-OD1 3.22Å; R35-D91 IonicContact NH1-OD2 3.75Å; R35-D91 IonicContact NH2-OD1 3.16Å; R35-D91 PolarHBondContact NH2-OD1 3.37Å; R35-D91 IonicContact NH2-OD2 3.93Å; R35-D91 PolarHBondContact NH2-OD2 3.49Å
36R98Very high93.9Very high42 Ų4253.3 Ų53.316%0.15828%0.279CS..EExtended strand (participates in β ladder)trans-139.3140.9-178.6-66.3-66.3178.3-102.59.6109.4E21 L22 M24 K34 V38 F48E21-R36 CarbonylContact C-O 3.44Å; E21-R36 VanDerWaalsContact CA-O 3.26Å; E21-R36 WeakPolarHBondContact CA-O 3.48Å; L22-R36 PolarHBondContact N-O 3.28Å; L22-R36 PolarHBondContact O-N 3.29Å; M24-R36 HydrophobicContact CB-CB 4.2Å; M24-R36 HydrophobicContact CB-CG 3.82Å; M24-R36 HydrophobicContact SD-CB 4.44Å; M24-R36 HydrophobicContact SD-CG 4.04Å; K34-R36 VanDerWaalsContact CB-NH1 3.34Å; K34-R36 PolarHBondContact O-N 3.49Å; R36-V38 HydrophobicContact CB-CG2 4.16Å; R36-V38 PolarHBondContact O-N 2.79Å; R36-F48 WeakPolarHBondContact CA-O 3.42Å; R36-F48 WeakPolarHBondContact CB-O 3.38Å; R36-F48 WeakPolarHBondContact CD-O 3.24Å
37L98.2Very high94.1Very high52 Ų5254.5 Ų54.527%0.27228%0.28SS..EExtended strand (participates in β ladder)trans-74.5121.6161.4172.565.5000106.5K39 Y47 F48 I50L37-K39 HydrophobicContact CG-CG 4.35Å; L37-Y47 CarbonylContact O-C 3.47Å; L37-Y47 WeakPolarHBondContact O-CA 3.41Å; L37-F48 HydrophobicContact CB-CB 4.26Å; L37-F48 HydrophobicContact CG-CD2 4.47Å; L37-F48 PolarHBondContact N-O 3.41Å; L37-F48 WeakPolarHBondContact O-CD2 3.47Å; L37-F48 PolarHBondContact O-N 2.99Å; L37-I50 HydrophobicContact CB-CD1 4.35Å
38V98.4Very high94.6Very high0 Ų053.2 Ų53.20%027%0.271CS..EExtended strand (participates in β ladder)trans-113.1131.8179.1-178.30000108A19 A20 L22 R36 L45 F46 F88 W99A19-V38 VanDerWaalsContact CA-O 3.27Å; A19-V38 WeakPolarHBondContact CA-O 3.38Å; A20-V38 PolarHBondContact N-O 2.97Å; A20-V38 PolarHBondContact O-N 3.35Å; L22-V38 HydrophobicContact CB-CG2 4.13Å; L22-V38 HydrophobicContact CD1-CB 4.04Å; L22-V38 HydrophobicContact CD1-CG1 4.36Å; L22-V38 HydrophobicContact CD1-CG2 4.08Å; L22-V38 HydrophobicContact CG-CB 4.45Å; L22-V38 HydrophobicContact CG-CG2 4.32Å; R36-V38 HydrophobicContact CB-CG2 4.16Å; R36-V38 PolarHBondContact O-N 2.79Å; V38-L45 HydrophobicContact CG1-CD1 3.51Å; V38-L45 HydrophobicContact CG1-CD2 4.14Å; V38-L45 HydrophobicContact CG1-CG 3.68Å; V38-F46 CarbonylContact C-O 3.59Å; V38-F46 WeakPolarHBondContact CA-O 3.43Å; V38-F88 HydrophobicContact CG1-CE1 4.47Å; V38-F88 HydrophobicContact CG2-CD1 4.42Å; V38-F88 HydrophobicContact CG2-CE1 4.24Å; V38-W99 HydrophobicContact CB-CH2 4.33Å; V38-W99 HydrophobicContact CG1-CH2 4.05Å; V38-W99 HydrophobicContact CG1-CZ3 4.16Å; V38-W99 WeakPolarHBondContact O-CH2 3.32Å
39K98.4Very high95Very high34 Ų3451.1 Ų51.115%0.14826%0.259CS..EExtended strand (participates in β ladder)trans-127124.8179.4-62-178.466-168.50109.9S12 M18 A19 L37 V41 L45 F46 F48S12-K39 PolarHBondContact O-NZ 3.21Å; M18-K39 CarbonylContact O-C 3.48Å; M18-K39 WeakPolarHBondContact O-CA 3.48Å; A19-K39 HydrophobicContact CB-CG 3.95Å; L37-K39 HydrophobicContact CG-CG 4.35Å; K39-V41 HydrophobicContact CB-CG2 4.39Å; K39-L45 CarbonylContact O-C 3.11Å; K39-F46 HydrophobicContact CB-CB 4.48Å; K39-F46 PolarHBondContact N-O 2.98Å; K39-F46 PolarHBondContact O-N 3.48Å; K39-F48 HydrophobicContact CB-CE2 4.24Å; K39-F48 HydrophobicContact CD-CD2 4.42Å; K39-F48 HydrophobicContact CD-CE2 3.66Å; K39-F48 HydrophobicContact CD-CZ 4.06Å; K39-F48 HydrophobicContact CG-CD2 4.48Å; K39-F48 HydrophobicContact CG-CE2 3.95Å
40L98.4Very high95.7Very high3 Ų344 Ų442%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-86.4121.3164.9-178.260000108S16 E17 M18 F44 L45 L61 W99 A106S16-L40 CarbonylContact C-O 3.6Å; S16-L40 WeakPolarHBondContact CA-O 3.37Å; S16-L40 WeakPolarHBondContact CB-O 3.41Å; E17-L40 HydrophobicContact CB-CD2 4.35Å; E17-L40 HydrophobicContact CB-CG 4.44Å; E17-L40 PolarHBondContact N-O 2.92Å; E17-L40 VanDerWaalsContact OE2-C 3.24Å; M18-L40 HydrophobicContact CB-CB 4.32Å; M18-L40 PolarHBondContact O-N 3.41Å; L40-F44 WeakPolarHBondContact CA-O 3.02Å; L40-L45 HydrophobicContact CB-CD1 4.19Å; L40-L45 HydrophobicContact CD1-CD1 4.35Å; L40-L61 HydrophobicContact CD1-CD1 3.63Å; L40-W99 HydrophobicContact CB-CZ3 4.05Å; L40-A106 HydrophobicContact CD1-CB 3.84Å; L40-A106 HydrophobicContact CD2-CB 4.05Å; L40-A106 HydrophobicContact CG-CB 4.37Å
41V97.8Very high96.2Very high1 Ų148 Ų481%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-132.4113.6175.4-179.70000107.7L11 Q14 E17 K39 N43 F44 F46L11-V41 HydrophobicContact CD1-CG1 4.07Å; L11-V41 HydrophobicContact CG-CG1 4.32Å; Q14-V41 HydrophobicContact CB-CG1 4.07Å; E17-V41 WeakPolarHBondContact OE2-CA 3.22Å; E17-V41 PolarHBondContact OE2-N 2.76Å; K39-V41 HydrophobicContact CB-CG2 4.39Å; V41-N43 PolarHBondContact O-N 2.89Å; V41-F44 PolarHBondContact N-O 3.11Å; V41-F44 PolarHBondContact O-N 3.18Å; V41-F46 HydrophobicContact CB-CD2 4.1Å; V41-F46 HydrophobicContact CB-CE2 4Å; V41-F46 HydrophobicContact CG2-CD2 4.11Å; V41-F46 HydrophobicContact CG2-CE2 4.4Å
42V94.4Very high96.6Very high67 Ų6749.3 Ų49.341%0.40624%0.239SC..THydrogen-bonded Turntrans57.2-108.9-175.2-170.50000110E17 A106E17-V42 PolarHBondContact OE1-N 2.66Å; E17-V42 VanDerWaalsContact OE1-N 3.15Å; E17-V42 PolarHBondContact OE2-N 2.72Å; V42-A106 WeakPolarHBondContact O-CB 3.11Å
43N95.6Very high96.5Very high32 Ų3252.7 Ų52.717%0.17125%0.249CC..THydrogen-bonded Turntrans-117.321.5177.767.3-36.1000112.3V41 L60 L61 A106 M111V41-N43 PolarHBondContact O-N 2.89Å; N43-L60 WeakPolarHBondContact ND2-CD1 3.37Å; N43-L61 WeakPolarHBondContact O-CB 3.14Å; N43-L61 WeakPolarHBondContact O-CG 3.09Å; N43-L61 PolarHBondContact O-N 3.42Å; N43-A106 VanDerWaalsContact CB-O 3.26Å; N43-A106 WeakPolarHBondContact CB-O 3.36Å; N43-M111 HydrophobicContact CB-CE 3.82Å
44F97.1Very high96.4Very high14 Ų1455.6 Ų55.66%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-113.5133.3175-74.2-89.5000111F3 L8 L11 L40 V41 F46 A58 L59 L60F3-F44 HydrophobicContact CE1-CZ 4.11Å; F3-F44 HydrophobicContact CE2-CZ 4.03Å; F3-F44 AromaticContact CZ-CZ 3.78Å; F3-F44 HydrophobicContact CZ-CZ 3.78Å; L8-F44 HydrophobicContact CD2-CD1 4.07Å; L8-F44 HydrophobicContact CD2-CE1 3.64Å; L8-F44 HydrophobicContact CD2-CZ 3.97Å; L11-F44 HydrophobicContact CD2-CD2 3.52Å; L11-F44 HydrophobicContact CD2-CE2 3.7Å; L11-F44 HydrophobicContact CD2-CG 4.25Å; L40-F44 WeakPolarHBondContact CA-O 3.02Å; V41-F44 PolarHBondContact N-O 3.11Å; V41-F44 PolarHBondContact O-N 3.18Å; F44-F46 HydrophobicContact CB-CD2 3.91Å; F44-F46 HydrophobicContact CB-CE2 3.37Å; F44-F46 HydrophobicContact CB-CZ 3.79Å; F44-F46 HydrophobicContact CD1-CZ 4.4Å; F44-F46 HydrophobicContact CG-CE2 4.14Å; F44-F46 HydrophobicContact CG-CZ 4.1Å; F44-A58 HydrophobicContact CD1-CB 4.15Å; F44-L59 CarbonylContact C-O 3.58Å; F44-L59 WeakPolarHBondContact CA-O 3.38Å; F44-L60 HydrophobicContact CD1-CB 4.31Å; F44-L60 HydrophobicContact CD1-CD1 4.28Å; F44-L60 HydrophobicContact CD2-CD1 4.39Å; F44-L60 HydrophobicContact CE1-CB 3.98Å; F44-L60 HydrophobicContact CE1-CD1 3.86Å; F44-L60 HydrophobicContact CE1-CG 4.39Å; F44-L60 HydrophobicContact CE2-CD1 3.98Å; F44-L60 HydrophobicContact CZ-CD1 3.72Å
45L97.8Very high96.4Very high1 Ų153 Ų531%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-101.797168.5-16571.3000108.8V38 K39 L40 A58 L59 L61 I76 F88 W99 I103V38-L45 HydrophobicContact CG1-CD1 3.51Å; V38-L45 HydrophobicContact CG1-CD2 4.14Å; V38-L45 HydrophobicContact CG1-CG 3.68Å; K39-L45 CarbonylContact O-C 3.11Å; L40-L45 HydrophobicContact CB-CD1 4.19Å; L40-L45 HydrophobicContact CD1-CD1 4.35Å; L45-A58 CarbonylContact O-C 3.6Å; L45-A58 WeakPolarHBondContact O-CA 3.29Å; L45-L59 HydrophobicContact CB-CB 4.21Å; L45-L59 HydrophobicContact CD2-CD1 4.36Å; L45-L59 PolarHBondContact N-O 3.43Å; L45-L59 PolarHBondContact O-N 2.95Å; L45-L61 HydrophobicContact CB-CD2 4.37Å; L45-I76 HydrophobicContact CD2-CD1 3.72Å; L45-F88 HydrophobicContact CD2-CE1 4.12Å; L45-F88 HydrophobicContact CD2-CE2 4.26Å; L45-F88 HydrophobicContact CD2-CZ 3.69Å; L45-W99 HydrophobicContact CD1-CE3 4.36Å; L45-W99 HydrophobicContact CD1-CZ3 3.71Å; L45-I103 HydrophobicContact CD1-CD1 4.48Å; L45-I103 HydrophobicContact CD1-CG1 4.46Å; L45-I103 HydrophobicContact CD2-CD1 4.24Å
46F98.1Very high96.3Very high0 Ų051.8 Ų51.80%025%0.25CC..EExtended strand (participates in β ladder)trans-82.1145.1176.2-66.9-82.1000110.5L8 L11 V38 K39 V41 F44 F48 P55 A58L8-F46 HydrophobicContact CD2-CE1 4.17Å; L8-F46 HydrophobicContact CD2-CZ 4.16Å; L11-F46 HydrophobicContact CB-CZ 4.19Å; L11-F46 HydrophobicContact CD2-CE2 4.38Å; L11-F46 HydrophobicContact CD2-CZ 4.1Å; L11-F46 HydrophobicContact CG-CE2 4.14Å; L11-F46 HydrophobicContact CG-CZ 4.05Å; V38-F46 CarbonylContact C-O 3.59Å; V38-F46 WeakPolarHBondContact CA-O 3.43Å; K39-F46 HydrophobicContact CB-CB 4.48Å; K39-F46 PolarHBondContact N-O 2.98Å; K39-F46 PolarHBondContact O-N 3.48Å; V41-F46 HydrophobicContact CB-CD2 4.1Å; V41-F46 HydrophobicContact CB-CE2 4Å; V41-F46 HydrophobicContact CG2-CD2 4.11Å; V41-F46 HydrophobicContact CG2-CE2 4.4Å; F44-F46 HydrophobicContact CB-CD2 3.91Å; F44-F46 HydrophobicContact CB-CE2 3.37Å; F44-F46 HydrophobicContact CB-CZ 3.79Å; F44-F46 HydrophobicContact CD1-CZ 4.4Å; F44-F46 HydrophobicContact CG-CE2 4.14Å; F44-F46 HydrophobicContact CG-CZ 4.1Å; F46-F48 HydrophobicContact CB-CD2 4.46Å; F46-F48 HydrophobicContact CB-CE2 3.56Å; F46-F48 HydrophobicContact CB-CZ 4.05Å; F46-P55 HydrophobicContact CB-CB 4.36Å; F46-P55 HydrophobicContact CD1-CB 3.89Å; F46-P55 HydrophobicContact CD1-CG 3.98Å; F46-P55 HydrophobicContact CE1-CG 4.46Å; F46-A58 HydrophobicContact CD1-CB 3.46Å; F46-A58 VanDerWaalsContact CD1-CB 3.46Å; F46-A58 HydrophobicContact CE1-CB 3.49Å; F46-A58 VanDerWaalsContact CE1-CB 3.49Å; F46-A58 HydrophobicContact CG-CB 4.27Å; F46-A58 HydrophobicContact CZ-CB 4.32Å
47Y97.7Very high96.1Very high39 Ų3950.7 Ų50.715%0.15325%0.252CS..EExtended strand (participates in β ladder)trans-136136.9174.457.3-84.2000111M24 L37 I56 G57 L59M24-Y47 HydrophobicContact CE-CD1 3.7Å; M24-Y47 HydrophobicContact CE-CD2 3.74Å; M24-Y47 HydrophobicContact CE-CE1 3.79Å; M24-Y47 HydrophobicContact CE-CE2 3.84Å; M24-Y47 HydrophobicContact CE-CG 3.68Å; M24-Y47 HydrophobicContact SD-CD1 4.16Å; M24-Y47 HydrophobicContact SD-CD2 3.59Å; M24-Y47 VanDerWaalsContact SD-CD2 3.59Å; M24-Y47 HydrophobicContact SD-CE2 4.23Å; M24-Y47 HydrophobicContact SD-CG 3.56Å; M24-Y47 VanDerWaalsContact SD-CG 3.56Å; L37-Y47 CarbonylContact O-C 3.47Å; L37-Y47 WeakPolarHBondContact O-CA 3.41Å; Y47-I56 HydrophobicContact CD2-CD1 3.6Å; Y47-I56 HydrophobicContact CD2-CG1 3.41Å; Y47-I56 VanDerWaalsContact CD2-CG1 3.41Å; Y47-I56 HydrophobicContact CE2-CD1 3.67Å; Y47-I56 HydrophobicContact CE2-CG1 3.54Å; Y47-I56 HydrophobicContact CG-CG1 4.45Å; Y47-I56 WeakPolarHBondContact O-CG1 3.2Å; Y47-I56 PolarHBondContact O-N 3.49Å; Y47-G57 WeakPolarHBondContact CD1-O 3.43Å; Y47-G57 PolarHBondContact N-O 3.49Å; Y47-G57 PolarHBondContact O-N 3.21Å; Y47-L59 HydrophobicContact CE1-CD2 4.21Å; Y47-L59 HydrophobicContact CE1-CG 4.24Å
48F97.9Very high96Very high6 Ų650 Ų503%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-125.4156.2-170.5-55.4-109.2000109.5R36 L37 K39 F46 E53 E54 P55R36-F48 WeakPolarHBondContact CA-O 3.42Å; R36-F48 WeakPolarHBondContact CB-O 3.38Å; R36-F48 WeakPolarHBondContact CD-O 3.24Å; L37-F48 HydrophobicContact CB-CB 4.26Å; L37-F48 HydrophobicContact CG-CD2 4.47Å; L37-F48 PolarHBondContact N-O 3.41Å; L37-F48 WeakPolarHBondContact O-CD2 3.47Å; L37-F48 PolarHBondContact O-N 2.99Å; K39-F48 HydrophobicContact CB-CE2 4.24Å; K39-F48 HydrophobicContact CD-CD2 4.42Å; K39-F48 HydrophobicContact CD-CE2 3.66Å; K39-F48 HydrophobicContact CD-CZ 4.06Å; K39-F48 HydrophobicContact CG-CD2 4.48Å; K39-F48 HydrophobicContact CG-CE2 3.95Å; F46-F48 HydrophobicContact CB-CD2 4.46Å; F46-F48 HydrophobicContact CB-CE2 3.56Å; F46-F48 HydrophobicContact CB-CZ 4.05Å; F48-E53 WeakPolarHBondContact CE1-O 3.36Å; F48-E54 VanDerWaalsContact CD1-C 3.4Å; F48-E54 WeakPolarHBondContact CD1-O 3.26Å; F48-P55 VanDerWaalsContact CD1-CA 3.45Å; F48-P55 HydrophobicContact CD1-CB 4.05Å; F48-P55 HydrophobicContact CE1-CB 3.7Å; F48-P55 HydrophobicContact CE1-CG 4.16Å; F48-P55 VanDerWaalsContact CE1-N 3.28Å; F48-P55 HydrophobicContact CE2-CB 4.25Å; F48-P55 HydrophobicContact CG-CB 4.46Å; F48-P55 HydrophobicContact CZ-CB 3.81Å; F48-P55 HydrophobicContact CZ-CG 4.36Å
49R97.2Very high95.8Very high127 Ų12750.3 Ų50.348%0.47926%0.255SS..  trans-69.9151.6156.4-54.6-167.4-167.4150.9-9.6108D51 E52 I56R49-D51 PolarHBondContact O-N 3.15Å; R49-D51 VanDerWaalsContact O-N 3.16Å; R49-E52 HydrophobicContact CB-CB 4.1Å; R49-E52 HydrophobicContact CB-CG 3.93Å; R49-E52 VanDerWaalsContact CD-OE1 3.28Å; R49-E52 WeakPolarHBondContact CD-OE1 3.39Å; R49-E52 WeakPolarHBondContact CD-OE2 3.34Å; R49-E52 HydrophobicContact CG-CG 4.49Å; R49-E52 WeakPolarHBondContact CG-OE2 3.49Å; R49-E52 IonicContact CZ-OE1 3.53Å; R49-E52 IonicContact NE-OE1 2.82Å; R49-E52 IonicContact NE-OE2 3.33Å; R49-E52 IonicContact NH1-OE1 3.85Å; R49-E52 PolarHBondContact NH1-OE1 3.33Å; R49-E52 IonicContact NH1-OE2 3.94Å; R49-E52 PolarHBondContact O-N 2.79Å; R49-E52 VanDerWaalsContact O-N 3.15Å; R49-I56 HydrophobicContact CG-CG2 3.93Å
50I93.6Very high95.6Very high65 Ų6550.1 Ų50.133%0.33326%0.255SS..THydrogen-bonded Turntrans-57.4-34.4-171.8-59.7-60.3000112.4E21 R35 L37E21-I50 HydrophobicContact CB-CD1 4.38Å; E21-I50 HydrophobicContact CG-CD1 3.77Å; R35-I50 HydrophobicContact CG-CD1 4.1Å; R35-I50 HydrophobicContact CG-CG1 4.46Å; L37-I50 HydrophobicContact CB-CD1 4.35Å
51D90.7Very high95.5Very high159 Ų15950 Ų5085%0.8525%0.254SS*.THydrogen-bonded Turntrans-105.714.8-176-49.6-58000113.5R49R49-D51 PolarHBondContact O-N 3.15Å; R49-D51 VanDerWaalsContact O-N 3.16Å
52E94.9Very high95.3Very high74 Ų7453.5 Ų53.535%0.34627%0.271SS..  trans-113.5134.4-178.5-70.6-178.9-176.600111.8R49R49-E52 HydrophobicContact CB-CB 4.1Å; R49-E52 HydrophobicContact CB-CG 3.93Å; R49-E52 VanDerWaalsContact CD-OE1 3.28Å; R49-E52 WeakPolarHBondContact CD-OE1 3.39Å; R49-E52 WeakPolarHBondContact CD-OE2 3.34Å; R49-E52 HydrophobicContact CG-CG 4.49Å; R49-E52 WeakPolarHBondContact CG-OE2 3.49Å; R49-E52 IonicContact CZ-OE1 3.53Å; R49-E52 IonicContact NE-OE1 2.82Å; R49-E52 IonicContact NE-OE2 3.33Å; R49-E52 IonicContact NH1-OE1 3.85Å; R49-E52 PolarHBondContact NH1-OE1 3.33Å; R49-E52 IonicContact NH1-OE2 3.94Å; R49-E52 PolarHBondContact O-N 2.79Å; R49-E52 VanDerWaalsContact O-N 3.15Å
53E91.1Very high95.2Very high161 Ų16154.6 Ų54.675%0.75227%0.272SS*.SBendtrans-82.5-19.8177.9-65.2-170.6174.500113.6F48F48-E53 WeakPolarHBondContact CE1-O 3.36Å
54E94.7Very high95.2Very high115 Ų11554.4 Ų54.454%0.53727%0.273SS..SBendtrans-98.3136.8178.4-66.9-169.3170.300110.6V9 F48 I56V9-E54 HydrophobicContact CG1-CG 4.34Å; F48-E54 VanDerWaalsContact CD1-C 3.4Å; F48-E54 WeakPolarHBondContact CD1-O 3.26Å; E54-I56 PolarHBondContact O-N 3.5Å
55P96.7Very high95Very high26 Ų2661.3 Ų61.317%0.16930%0.298CS..  trans-69136.6179.628.9-33.7000109.7F46 F48 G57F46-P55 HydrophobicContact CB-CB 4.36Å; F46-P55 HydrophobicContact CD1-CB 3.89Å; F46-P55 HydrophobicContact CD1-CG 3.98Å; F46-P55 HydrophobicContact CE1-CG 4.46Å; F48-P55 VanDerWaalsContact CD1-CA 3.45Å; F48-P55 HydrophobicContact CD1-CB 4.05Å; F48-P55 HydrophobicContact CE1-CB 3.7Å; F48-P55 HydrophobicContact CE1-CG 4.16Å; F48-P55 VanDerWaalsContact CE1-N 3.28Å; F48-P55 HydrophobicContact CE2-CB 4.25Å; F48-P55 HydrophobicContact CG-CB 4.46Å; F48-P55 HydrophobicContact CZ-CB 3.81Å; F48-P55 HydrophobicContact CZ-CG 4.36Å; P55-G57 PolarHBondContact O-N 2.86Å
56I94.9Very high95Very high70 Ų7062.5 Ų62.536%0.35931%0.305SS..SBendtrans-77.1-15.1171.658.2162.4000111.8Y47 R49 E54Y47-I56 HydrophobicContact CD2-CD1 3.6Å; Y47-I56 HydrophobicContact CD2-CG1 3.41Å; Y47-I56 VanDerWaalsContact CD2-CG1 3.41Å; Y47-I56 HydrophobicContact CE2-CD1 3.67Å; Y47-I56 HydrophobicContact CE2-CG1 3.54Å; Y47-I56 HydrophobicContact CG-CG1 4.45Å; Y47-I56 WeakPolarHBondContact O-CG1 3.2Å; Y47-I56 PolarHBondContact O-N 3.49Å; R49-I56 HydrophobicContact CG-CG2 3.93Å; E54-I56 PolarHBondContact O-N 3.5Å
57G94.7Very high94.9Very high19 Ų1965.2 Ų65.220%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-177172.5171.500000112.6Y47 P55Y47-G57 WeakPolarHBondContact CD1-O 3.43Å; Y47-G57 PolarHBondContact N-O 3.49Å; Y47-G57 PolarHBondContact O-N 3.21Å; P55-G57 PolarHBondContact O-N 2.86Å
58A95.1Very high94.8Very high36 Ų3669 Ų6930%0.29833%0.332SS..EExtended strand (participates in β ladder)trans-139.7142.4177.500000109.5F44 L45 F46F44-A58 HydrophobicContact CD1-CB 4.15Å; L45-A58 CarbonylContact O-C 3.6Å; L45-A58 WeakPolarHBondContact O-CA 3.29Å; F46-A58 HydrophobicContact CD1-CB 3.46Å; F46-A58 VanDerWaalsContact CD1-CB 3.46Å; F46-A58 HydrophobicContact CE1-CB 3.49Å; F46-A58 VanDerWaalsContact CE1-CB 3.49Å; F46-A58 HydrophobicContact CG-CB 4.27Å; F46-A58 HydrophobicContact CZ-CB 4.32Å
59L95Very high94.7Very high8 Ų872.4 Ų72.44%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-106.6121.8170.1-51.3-178.1000108.6F44 L45 Y47 I76 F78 Y86 F88F44-L59 CarbonylContact C-O 3.58Å; F44-L59 WeakPolarHBondContact CA-O 3.38Å; L45-L59 HydrophobicContact CB-CB 4.21Å; L45-L59 HydrophobicContact CD2-CD1 4.36Å; L45-L59 PolarHBondContact N-O 3.43Å; L45-L59 PolarHBondContact O-N 2.95Å; Y47-L59 HydrophobicContact CE1-CD2 4.21Å; Y47-L59 HydrophobicContact CE1-CG 4.24Å; L59-I76 HydrophobicContact CD1-CD1 4.48Å; L59-F78 HydrophobicContact CB-CZ 4.05Å; L59-F78 HydrophobicContact CD1-CE2 4.47Å; L59-F78 HydrophobicContact CD1-CZ 4.37Å; L59-Y86 HydrophobicContact CD1-CD1 4.05Å; L59-Y86 HydrophobicContact CD1-CD2 3.98Å; L59-Y86 HydrophobicContact CD1-CE1 4.32Å; L59-Y86 HydrophobicContact CD1-CE2 4.27Å; L59-Y86 HydrophobicContact CD1-CG 3.86Å; L59-Y86 HydrophobicContact CD2-CD1 4.37Å; L59-Y86 HydrophobicContact CD2-CD2 4.29Å; L59-Y86 HydrophobicContact CD2-CE1 3.8Å; L59-Y86 HydrophobicContact CD2-CE2 3.73Å; L59-Y86 VanDerWaalsContact CD2-CZ 3.45Å; L59-F88 HydrophobicContact CD1-CZ 4.16Å
60L94.7Very high94.6Very high29 Ų2970.2 Ų70.215%0.15235%0.346CS..EExtended strand (participates in β ladder)trans-80.4121.3171.6177.556.8000108.7F3 N43 F44 E62 F78F3-L60 HydrophobicContact CE2-CD2 4.11Å; F3-L60 HydrophobicContact CZ-CD2 4.44Å; N43-L60 WeakPolarHBondContact ND2-CD1 3.37Å; F44-L60 HydrophobicContact CD1-CB 4.31Å; F44-L60 HydrophobicContact CD1-CD1 4.28Å; F44-L60 HydrophobicContact CD2-CD1 4.39Å; F44-L60 HydrophobicContact CE1-CB 3.98Å; F44-L60 HydrophobicContact CE1-CD1 3.86Å; F44-L60 HydrophobicContact CE1-CG 4.39Å; F44-L60 HydrophobicContact CE2-CD1 3.98Å; F44-L60 HydrophobicContact CZ-CD1 3.72Å; L60-E62 HydrophobicContact CD2-CG 3.97Å; L60-E62 VanDerWaalsContact CD2-OE1 3.31Å; L60-E62 WeakPolarHBondContact CD2-OE1 3.23Å; L60-E62 HydrophobicContact CG-CB 4.33Å; L60-E62 HydrophobicContact CG-CG 3.86Å; L60-E62 PolarHBondContact O-N 3.02Å; L60-F78 WeakPolarHBondContact O-CE1 3.48Å
61L96.1Very high94.7Very high0 Ų069.9 Ų69.90%035%0.349CS..  trans-8162.1-176.1-57.5178.3000111.5L40 N43 L45 I76 I103 A106 S107 Y108L40-L61 HydrophobicContact CD1-CD1 3.63Å; N43-L61 WeakPolarHBondContact O-CB 3.14Å; N43-L61 WeakPolarHBondContact O-CG 3.09Å; N43-L61 PolarHBondContact O-N 3.42Å; L45-L61 HydrophobicContact CB-CD2 4.37Å; L61-I76 HydrophobicContact CD2-CD1 4.49Å; L61-I103 HydrophobicContact CD1-CB 4.45Å; L61-I103 HydrophobicContact CD1-CG2 3.84Å; L61-I103 HydrophobicContact CD2-CG2 3.79Å; L61-I103 HydrophobicContact CG-CG2 4.43Å; L61-A106 HydrophobicContact CD1-CB 3.82Å; L61-S107 CarbonylContact O-C 3.53Å; L61-S107 VanDerWaalsContact O-CA 3.28Å; L61-S107 WeakPolarHBondContact O-CA 3.4Å; L61-Y108 PolarHBondContact O-N 3.43Å
62E93.6Very high95.1Very high75 Ų7566.4 Ų66.435%0.3533%0.328SS..SBendtrans-122.6141.9171.872.5-174.6-177.100109.5L60 C64L60-E62 HydrophobicContact CD2-CG 3.97Å; L60-E62 VanDerWaalsContact CD2-OE1 3.31Å; L60-E62 WeakPolarHBondContact CD2-OE1 3.23Å; L60-E62 HydrophobicContact CG-CB 4.33Å; L60-E62 HydrophobicContact CG-CG 3.86Å; L60-E62 PolarHBondContact O-N 3.02Å; E62-C64 PolarHBondContact O-N 2.83Å
63Q92.8Very high95.2Very high91 Ų9163.4 Ų63.443%0.42532%0.315SS..SBendtrans49.435.4-179.6-56.4-55.5-1900113.7L79 E109Q63-L79 HydrophobicContact CB-CB 4.22Å; Q63-L79 HydrophobicContact CB-CD1 3.73Å; Q63-L79 HydrophobicContact CG-CD1 4.4Å; Q63-L79 PolarHBondContact O-N 3.4Å; Q63-E109 PolarHBondContact NE2-OE1 3.15Å
64C94.3Very high95.6Very high28 Ų2855.8 Ų55.819%0.18928%0.279CS..EExtended strand (participates in β ladder)trans-105.5145-179.967.70000111.6E62 I76 A77 F78E62-C64 PolarHBondContact O-N 2.83Å; C64-I76 HydrophobicContact CB-CG2 3.87Å; C64-A77 CarbonylContact C-O 3.58Å; C64-A77 VanDerWaalsContact CA-O 3.24Å; C64-A77 WeakPolarHBondContact CA-O 3.36Å; C64-F78 HydrophobicContact CB-CD1 3.78Å; C64-F78 HydrophobicContact CB-CE1 3.6Å; C64-F78 HydrophobicContact CB-CZ 4.31Å
65R94.3Very high95.7Very high159 Ų15950.3 Ų50.360%0.625%0.253SS*.EExtended strand (participates in β ladder)trans-108.5123.8169.5-171.4177.5174.4-140.4-6.5108.1E67 I76 A77R65-E67 WeakPolarHBondContact CD-OE1 3.39Å; R65-E67 HydrophobicContact CG-CG 4.05Å; R65-E67 IonicContact CZ-OE1 3.06Å; R65-E67 IonicContact CZ-OE2 3.93Å; R65-E67 IonicContact NE-OE1 2.76Å; R65-E67 PolarHBondContact NE-OE1 3.29Å; R65-E67 IonicContact NE-OE2 2.65Å; R65-E67 VanDerWaalsContact NH1-CD 3.26Å; R65-E67 IonicContact NH1-OE1 3.17Å; R65-E67 PolarHBondContact NH1-OE1 3.07Å; R65-E67 IonicContact NH1-OE2 3.35Å; R65-E67 PolarHBondContact NH1-OE2 2.95Å; R65-E67 IonicContact NH2-OE1 2.85Å; R65-E67 PolarHBondContact NH2-OE1 3.41Å; R65-E67 IonicContact NH2-OE2 2.79Å; R65-E67 PolarHBondContact NH2-OE2 3.03Å; R65-I76 WeakPolarHBondContact O-CA 3.44Å; R65-A77 PolarHBondContact N-O 2.74Å; R65-A77 PolarHBondContact O-N 3.04Å
66V96.4Very high95.7Very high25 Ų2549 Ų4915%0.15225%0.245CC..EExtended strand (participates in β ladder)trans-101.7126.1174.6-168.40000108F74 S75 T100 I103 I104V66-F74 HydrophobicContact CG1-CD2 4.16Å; V66-S75 VanDerWaalsContact CA-O 3.32Å; V66-S75 WeakPolarHBondContact CA-O 3.39Å; V66-T100 HydrophobicContact CG1-CG2 3.88Å; V66-I103 HydrophobicContact CG2-CB 4.4Å; V66-I103 HydrophobicContact CG2-CG2 3.55Å; V66-I104 HydrophobicContact CB-CG1 4.14Å; V66-I104 HydrophobicContact CG2-CG1 4.18Å
67E95.9Very high95.7Very high57 Ų5746.3 Ų46.327%0.26623%0.233SC..EExtended strand (participates in β ladder)trans-128.7137.4-178.6-68.9177.1-121.200110.6R65 F74 S75R65-E67 WeakPolarHBondContact CD-OE1 3.39Å; R65-E67 HydrophobicContact CG-CG 4.05Å; R65-E67 IonicContact CZ-OE1 3.06Å; R65-E67 IonicContact CZ-OE2 3.93Å; R65-E67 IonicContact NE-OE1 2.76Å; R65-E67 PolarHBondContact NE-OE1 3.29Å; R65-E67 IonicContact NE-OE2 2.65Å; R65-E67 VanDerWaalsContact NH1-CD 3.26Å; R65-E67 IonicContact NH1-OE1 3.17Å; R65-E67 PolarHBondContact NH1-OE1 3.07Å; R65-E67 IonicContact NH1-OE2 3.35Å; R65-E67 PolarHBondContact NH1-OE2 2.95Å; R65-E67 IonicContact NH2-OE1 2.85Å; R65-E67 PolarHBondContact NH2-OE1 3.41Å; R65-E67 IonicContact NH2-OE2 2.79Å; R65-E67 PolarHBondContact NH2-OE2 3.03Å; E67-F74 CarbonylContact O-C 3.46Å; E67-F74 WeakPolarHBondContact O-CA 2.85Å; E67-F74 WeakPolarHBondContact O-CB 3.24Å; E67-S75 PolarHBondContact N-O 2.86Å; E67-S75 PolarHBondContact O-N 2.89Å
68R96.9Very high95.6Very high118 Ų11847.5 Ų47.545%0.44523%0.233SC..EExtended strand (participates in β ladder)trans-81.3120.9169.1-170.5172.9-173.1-164.94.9108.5D70 S71 E93R68-D70 WeakPolarHBondContact CG-O 3.32Å; R68-D70 PolarHBondContact NE-O 3.05Å; R68-S71 VanDerWaalsContact NH2-CA 3.33Å; R68-S71 PolarHBondContact NH2-O 2.68Å; R68-E93 IonicContact CZ-OE1 2.72Å; R68-E93 IonicContact NH1-OE1 2.82Å; R68-E93 PolarHBondContact NH1-OE1 2.75Å; R68-E93 IonicContact NH2-OE1 3.17Å; R68-E93 PolarHBondContact NH2-OE1 2.69Å; R68-E93 IonicContact NH2-OE2 3.01Å
69E95.9Very high95.2Very high78 Ų7851.3 Ų51.336%0.36425%0.248SC..  trans-92.2-39.9-176.8-61.1-76.4164.900110.9T73 S75 K85 L87E69-T73 HydrophobicContact CB-CG2 4.13Å; E69-T73 HydrophobicContact CG-CG2 4.46Å; E69-T73 PolarHBondContact N-O 3.32Å; E69-S75 WeakPolarHBondContact OE1-CB 3Å; E69-S75 PolarHBondContact OE1-OG 2.93Å; E69-K85 IonicContact OE1-NZ 3.3Å; E69-K85 PolarHBondContact OE1-NZ 3.48Å; E69-K85 IonicContact OE2-NZ 3.8Å; E69-K85 PolarHBondContact OE2-NZ 3.3Å; E69-L87 HydrophobicContact CG-CD1 4.41Å
70D94.9Very high94.3Very high81 Ų8158.6 Ų58.643%0.43329%0.287SS..SBendtrans-150.7-161.9175.464.639.7000111R68 Q72 T73R68-D70 WeakPolarHBondContact CG-O 3.32Å; R68-D70 PolarHBondContact NE-O 3.05Å; D70-Q72 VanDerWaalsContact C-N 3.34Å; D70-Q72 PolarHBondContact O-N 3.28Å; D70-Q72 PolarHBondContact OD1-N 2.91Å; D70-T73 VanDerWaalsContact CG-OG1 3.25Å; D70-T73 PolarHBondContact N-O 2.83Å; D70-T73 WeakPolarHBondContact OD1-CA 3.48Å; D70-T73 WeakPolarHBondContact OD1-CB 3.2Å; D70-T73 PolarHBondContact OD1-N 3.44Å; D70-T73 PolarHBondContact OD1-OG1 3.29Å; D70-T73 VanDerWaalsContact OD2-CB 3.31Å; D70-T73 WeakPolarHBondContact OD2-CB 3.43Å; D70-T73 PolarHBondContact OD2-OG1 2.82Å
71S95.9Very high93.4Very high59 Ų5961.9 Ų61.941%0.41330%0.301SS..SBendtrans-64.9-35.2-178.953.70000113.3R68 E93R68-S71 VanDerWaalsContact NH2-CA 3.33Å; R68-S71 PolarHBondContact NH2-O 2.68Å; S71-E93 WeakPolarHBondContact O-CA 3.28Å; S71-E93 WeakPolarHBondContact O-CB 3.38Å
72Q97.8Very high91.8Very high86 Ų8665.3 Ų65.340%0.40233%0.33SS..SBendtrans-1191.3-172.5-68.8178.1-51.400113.2D70 C90 D91D70-Q72 VanDerWaalsContact C-N 3.34Å; D70-Q72 PolarHBondContact O-N 3.28Å; D70-Q72 PolarHBondContact OD1-N 2.91Å; Q72-C90 VanDerWaalsContact O-CB 3.25Å; Q72-C90 WeakPolarHBondContact O-CB 3.28Å; Q72-C90 PolarHBondContact O-N 3.03Å; Q72-D91 PolarHBondContact NE2-O 3.14Å
73T98.3Very high90.5Very high11 Ų1171 Ų717%0.06736%0.356CS..EExtended strand (participates in β ladder)trans-124.2135.6-172.7-51.90000111.1E69 D70 L87 F88 E89E69-T73 HydrophobicContact CB-CG2 4.13Å; E69-T73 HydrophobicContact CG-CG2 4.46Å; E69-T73 PolarHBondContact N-O 3.32Å; D70-T73 VanDerWaalsContact CG-OG1 3.25Å; D70-T73 PolarHBondContact N-O 2.83Å; D70-T73 WeakPolarHBondContact OD1-CA 3.48Å; D70-T73 WeakPolarHBondContact OD1-CB 3.2Å; D70-T73 PolarHBondContact OD1-N 3.44Å; D70-T73 PolarHBondContact OD1-OG1 3.29Å; D70-T73 VanDerWaalsContact OD2-CB 3.31Å; D70-T73 WeakPolarHBondContact OD2-CB 3.43Å; D70-T73 PolarHBondContact OD2-OG1 2.82Å; T73-L87 HydrophobicContact CG2-CD1 3.68Å; T73-L87 HydrophobicContact CG2-CD2 3.37Å; T73-L87 HydrophobicContact CG2-CG 3.44Å; T73-L87 VanDerWaalsContact CG2-CG 3.44Å; T73-F88 VanDerWaalsContact CA-O 3.28Å; T73-F88 WeakPolarHBondContact CA-O 3.45Å; T73-F88 WeakPolarHBondContact CG2-O 3.4Å; T73-E89 HydrophobicContact CG2-CG 4.35Å
74F98.3Very high90Very high0 Ų073.2 Ų73.20%036%0.361CS..EExtended strand (participates in β ladder)trans-129.3161.9168.770.2-88.4000110.8L22 V66 E67 I76 F88 W99 I103L22-F74 HydrophobicContact CD1-CE1 4.48Å; L22-F74 HydrophobicContact CD1-CZ 4.45Å; V66-F74 HydrophobicContact CG1-CD2 4.16Å; E67-F74 CarbonylContact O-C 3.46Å; E67-F74 WeakPolarHBondContact O-CA 2.85Å; E67-F74 WeakPolarHBondContact O-CB 3.24Å; F74-I76 HydrophobicContact CD2-CG1 4.33Å; F74-I76 HydrophobicContact CE2-CD1 4.23Å; F74-I76 HydrophobicContact CE2-CG1 4.16Å; F74-F88 HydrophobicContact CD1-CB 3.95Å; F74-F88 HydrophobicContact CD2-CB 4.21Å; F74-F88 AromaticContact CD2-CD2 4Å; F74-F88 HydrophobicContact CD2-CD2 4Å; F74-F88 HydrophobicContact CD2-CG 4.46Å; F74-F88 HydrophobicContact CE1-CB 3.46Å; F74-F88 VanDerWaalsContact CE1-CB 3.46Å; F74-F88 HydrophobicContact CE1-CG 4.2Å; F74-F88 HydrophobicContact CE2-CB 3.75Å; F74-F88 AromaticContact CE2-CD2 3.38Å; F74-F88 HydrophobicContact CE2-CD2 3.38Å; F74-F88 HydrophobicContact CE2-CE2 4.15Å; F74-F88 AromaticContact CE2-CG 3.71Å; F74-F88 HydrophobicContact CE2-CG 3.71Å; F74-F88 HydrophobicContact CG-CB 4.31Å; F74-F88 HydrophobicContact CZ-CB 3.35Å; F74-F88 HydrophobicContact CZ-CD1 4.31Å; F74-F88 AromaticContact CZ-CD2 3.78Å; F74-F88 HydrophobicContact CZ-CD2 3.78Å; F74-F88 AromaticContact CZ-CG 3.56Å; F74-F88 HydrophobicContact CZ-CG 3.56Å; F74-F88 PolarHBondContact N-O 3.27Å; F74-F88 PolarHBondContact O-N 2.97Å; F74-W99 HydrophobicContact CD1-CB 4.41Å; F74-W99 HydrophobicContact CE1-CB 3.64Å; F74-W99 HydrophobicContact CE1-CG 4.19Å; F74-W99 HydrophobicContact CZ-CB 3.91Å; F74-W99 HydrophobicContact CZ-CG 4.41Å; F74-I103 HydrophobicContact CD2-CD1 4.44Å; F74-I103 HydrophobicContact CE2-CD1 3.48Å; F74-I103 VanDerWaalsContact CE2-CD1 3.48Å; F74-I103 HydrophobicContact CZ-CD1 3.74Å
75S97.4Very high89.9Confident0 Ų075.8 Ų75.80%037%0.369CS..EExtended strand (participates in β ladder)trans-127.5156.317674.60000112.2V66 E67 E69 Y86V66-S75 VanDerWaalsContact CA-O 3.32Å; V66-S75 WeakPolarHBondContact CA-O 3.39Å; E67-S75 PolarHBondContact N-O 2.86Å; E67-S75 PolarHBondContact O-N 2.89Å; E69-S75 WeakPolarHBondContact OE1-CB 3Å; E69-S75 PolarHBondContact OE1-OG 2.93Å; S75-Y86 CarbonylContact C-O 3.59Å; S75-Y86 WeakPolarHBondContact CA-O 3.26Å; S75-Y86 VanDerWaalsContact CB-O 3.27Å; S75-Y86 WeakPolarHBondContact CB-O 3.35Å
76I97.1Very high90Very high0 Ų070.2 Ų70.20%035%0.348CS..EExtended strand (participates in β ladder)trans-126.3119.2172.3-51.2178.1000107.8L45 L59 L61 C64 R65 F74 F78 K85 Y86 F88 I103L45-I76 HydrophobicContact CD2-CD1 3.72Å; L59-I76 HydrophobicContact CD1-CD1 4.48Å; L61-I76 HydrophobicContact CD2-CD1 4.49Å; C64-I76 HydrophobicContact CB-CG2 3.87Å; R65-I76 WeakPolarHBondContact O-CA 3.44Å; F74-I76 HydrophobicContact CD2-CG1 4.33Å; F74-I76 HydrophobicContact CE2-CD1 4.23Å; F74-I76 HydrophobicContact CE2-CG1 4.16Å; I76-F78 HydrophobicContact CG2-CE1 4.44Å; I76-F78 HydrophobicContact CG2-CE2 3.99Å; I76-F78 HydrophobicContact CG2-CZ 3.81Å; I76-K85 CarbonylContact O-C 3.59Å; I76-K85 WeakPolarHBondContact O-CA 3.38Å; I76-Y86 PolarHBondContact N-O 3Å; I76-Y86 PolarHBondContact O-N 3.42Å; I76-F88 HydrophobicContact CD1-CD2 4.37Å; I76-F88 HydrophobicContact CD1-CE2 3.67Å; I76-F88 HydrophobicContact CD1-CZ 4.33Å; I76-F88 HydrophobicContact CG1-CD2 4.35Å; I76-F88 HydrophobicContact CG1-CE2 3.93Å; I76-I103 HydrophobicContact CD1-CD1 4.09Å; I76-I103 HydrophobicContact CD1-CG2 4.15Å
77A95.1Very high90Very high12 Ų1269.6 Ų69.610%0.09934%0.344CS..EExtended strand (participates in β ladder)trans-113.5148.4172.100000110C64 R65 K85C64-A77 CarbonylContact C-O 3.58Å; C64-A77 VanDerWaalsContact CA-O 3.24Å; C64-A77 WeakPolarHBondContact CA-O 3.36Å; R65-A77 PolarHBondContact N-O 2.74Å; R65-A77 PolarHBondContact O-N 3.04Å; A77-K85 HydrophobicContact CB-CB 4.17Å
78F92.6Very high90.1Very high44 Ų4466.9 Ų66.919%0.19333%0.331CS..EExtended strand (participates in β ladder)trans-109141.2178-63.3-86.7000109.5L59 L60 C64 I76 D80 E81 A82 Y86L59-F78 HydrophobicContact CB-CZ 4.05Å; L59-F78 HydrophobicContact CD1-CE2 4.47Å; L59-F78 HydrophobicContact CD1-CZ 4.37Å; L60-F78 WeakPolarHBondContact O-CE1 3.48Å; C64-F78 HydrophobicContact CB-CD1 3.78Å; C64-F78 HydrophobicContact CB-CE1 3.6Å; C64-F78 HydrophobicContact CB-CZ 4.31Å; I76-F78 HydrophobicContact CG2-CE1 4.44Å; I76-F78 HydrophobicContact CG2-CE2 3.99Å; I76-F78 HydrophobicContact CG2-CZ 3.81Å; F78-D80 VanDerWaalsContact C-N 3.26Å; F78-D80 PolarHBondContact O-N 3.43Å; F78-E81 CarbonylContact O-C 3.59Å; F78-E81 PolarHBondContact O-N 2.8Å; F78-A82 WeakPolarHBondContact O-CA 3.42Å; F78-A82 PolarHBondContact O-N 3.34Å; F78-Y86 HydrophobicContact CD2-CD2 4.42Å; F78-Y86 HydrophobicContact CD2-CE2 4.28Å; F78-Y86 AromaticContact CE2-CD2 3.81Å; F78-Y86 HydrophobicContact CE2-CD2 3.81Å; F78-Y86 AromaticContact CE2-CE2 3.78Å; F78-Y86 HydrophobicContact CE2-CE2 3.78Å
79L85.4Confident90.2Very high117 Ų11764.8 Ų64.861%0.61333%0.326SS*.G310 helixtrans-53.6-40.1-175-94.5143.8000113.4Q63 E81Q63-L79 HydrophobicContact CB-CB 4.22Å; Q63-L79 HydrophobicContact CB-CD1 3.73Å; Q63-L79 HydrophobicContact CG-CD1 4.4Å; Q63-L79 PolarHBondContact O-N 3.4Å; L79-E81 VanDerWaalsContact C-N 3.26Å; L79-E81 PolarHBondContact O-N 3.1Å
80D76.8Confident90.3Very high160 Ų16061.5 Ų61.586%0.85631%0.312SS*.G310 helixtrans-77.4-11.3-179.5-62.9-29.4000113.4F78F78-D80 VanDerWaalsContact C-N 3.26Å; F78-D80 PolarHBondContact O-N 3.43Å
81E75.4Confident90.4Very high99 Ų9962.1 Ų62.146%0.46332%0.315SS..G310 helixtrans-139.746.8-178.7-65.2-165.4-144.900111.6F78 L79 E83 R84F78-E81 CarbonylContact O-C 3.59Å; F78-E81 PolarHBondContact O-N 2.8Å; L79-E81 VanDerWaalsContact C-N 3.26Å; L79-E81 PolarHBondContact O-N 3.1Å; E81-E83 PolarHBondContact O-N 3.38Å; E81-E83 VanDerWaalsContact O-N 3.08Å; E81-R84 HydrophobicContact CB-CB 4.18Å; E81-R84 WeakPolarHBondContact O-CA 3.37Å; E81-R84 WeakPolarHBondContact O-CB 3.31Å; E81-R84 PolarHBondContact O-N 3.28Å; E81-R84 WeakPolarHBondContact OE2-CD 3.34Å; E81-R84 IonicContact OE2-NH1 3.17Å; E81-R84 PolarHBondContact OE2-NH1 3.44Å
82A62.9Low90.5Very high72 Ų7261.1 Ų61.160%0.59531%0.308SS*.THydrogen-bonded Turntrans-58.7-28.7-170.300000114.8F78 R84F78-A82 WeakPolarHBondContact O-CA 3.42Å; F78-A82 PolarHBondContact O-N 3.34Å; A82-R84 PolarHBondContact O-N 2.88Å
83E66.6Low90.6Very high193 Ų19361.4 Ų61.490%0.90231%0.309SS*.THydrogen-bonded Turntrans-71.9-4.5176.1-69-76.1150.500113.3E81E81-E83 PolarHBondContact O-N 3.38Å; E81-E83 VanDerWaalsContact O-N 3.08Å
84R81.6Confident90.6Very high139 Ų13966.7 Ų66.753%0.52533%0.333SS..  trans-126.582.3-169.3-81.1-178.5-173.9-179.64.7110.3P27 E81 A82P27-R84 HydrophobicContact CB-CB 3.5Å; P27-R84 VanDerWaalsContact CB-CB 3.5Å; P27-R84 HydrophobicContact CB-CG 4Å; E81-R84 HydrophobicContact CB-CB 4.18Å; E81-R84 WeakPolarHBondContact O-CA 3.37Å; E81-R84 WeakPolarHBondContact O-CB 3.31Å; E81-R84 PolarHBondContact O-N 3.28Å; E81-R84 WeakPolarHBondContact OE2-CD 3.34Å; E81-R84 IonicContact OE2-NH1 3.17Å; E81-R84 PolarHBondContact OE2-NH1 3.44Å; A82-R84 PolarHBondContact O-N 2.88Å
85K92.4Very high90.5Very high81 Ų8168.3 Ų68.335%0.35234%0.341SS..  trans-89.9139.2177.470.3-171.1-171.7176.70112.6E69 I76 A77E69-K85 IonicContact OE1-NZ 3.3Å; E69-K85 PolarHBondContact OE1-NZ 3.48Å; E69-K85 IonicContact OE2-NZ 3.8Å; E69-K85 PolarHBondContact OE2-NZ 3.3Å; I76-K85 CarbonylContact O-C 3.59Å; I76-K85 WeakPolarHBondContact O-CA 3.38Å; A77-K85 HydrophobicContact CB-CB 4.17Å
86Y96.1Very high90.6Very high43 Ų4368.3 Ų68.317%0.16934%0.341CS..EExtended strand (participates in β ladder)trans-78.8140.2160.6-68-96.9000108.3M24 R25 P27 L59 S75 I76 F78M24-Y86 HydrophobicContact CE-CD1 3.58Å; M24-Y86 HydrophobicContact CE-CE1 3.97Å; R25-Y86 WeakPolarHBondContact O-CA 3.39Å; P27-Y86 VanDerWaalsContact CD-CZ 3.44Å; P27-Y86 HydrophobicContact CG-CD2 4.5Å; P27-Y86 HydrophobicContact CG-CE1 4.21Å; P27-Y86 HydrophobicContact CG-CE2 3.93Å; L59-Y86 HydrophobicContact CD1-CD1 4.05Å; L59-Y86 HydrophobicContact CD1-CD2 3.98Å; L59-Y86 HydrophobicContact CD1-CE1 4.32Å; L59-Y86 HydrophobicContact CD1-CE2 4.27Å; L59-Y86 HydrophobicContact CD1-CG 3.86Å; L59-Y86 HydrophobicContact CD2-CD1 4.37Å; L59-Y86 HydrophobicContact CD2-CD2 4.29Å; L59-Y86 HydrophobicContact CD2-CE1 3.8Å; L59-Y86 HydrophobicContact CD2-CE2 3.73Å; L59-Y86 VanDerWaalsContact CD2-CZ 3.45Å; S75-Y86 CarbonylContact C-O 3.59Å; S75-Y86 WeakPolarHBondContact CA-O 3.26Å; S75-Y86 VanDerWaalsContact CB-O 3.27Å; S75-Y86 WeakPolarHBondContact CB-O 3.35Å; I76-Y86 PolarHBondContact N-O 3Å; I76-Y86 PolarHBondContact O-N 3.42Å; F78-Y86 HydrophobicContact CD2-CD2 4.42Å; F78-Y86 HydrophobicContact CD2-CE2 4.28Å; F78-Y86 AromaticContact CE2-CD2 3.81Å; F78-Y86 HydrophobicContact CE2-CD2 3.81Å; F78-Y86 AromaticContact CE2-CE2 3.78Å; F78-Y86 HydrophobicContact CE2-CE2 3.78Å
87L97.3Very high90.6Very high11 Ų1174.3 Ų74.36%0.05837%0.367CS..EExtended strand (participates in β ladder)trans-123.2136.6177.6-175.2144.1000110.2M24 R25 E69 T73 E89M24-L87 CarbonylContact C-O 3.59Å; M24-L87 WeakPolarHBondContact CA-O 3.27Å; R25-L87 PolarHBondContact N-O 2.81Å; R25-L87 PolarHBondContact O-N 3.47Å; E69-L87 HydrophobicContact CG-CD1 4.41Å; T73-L87 HydrophobicContact CG2-CD1 3.68Å; T73-L87 HydrophobicContact CG2-CD2 3.37Å; T73-L87 HydrophobicContact CG2-CG 3.44Å; T73-L87 VanDerWaalsContact CG2-CG 3.44Å; L87-E89 HydrophobicContact CD2-CG 3.77Å
88F98.4Very high90.8Very high1 Ų179.2 Ų79.20%0.00439%0.388CS..EExtended strand (participates in β ladder)trans-125.6128.6-176.3-62.5-90.5000110.4L22 G23 M24 V38 L45 L59 T73 F74 I76L22-F88 HydrophobicContact CD1-CB 4.46Å; L22-F88 HydrophobicContact CD1-CD1 4.16Å; G23-F88 CarbonylContact O-C 3.57Å; G23-F88 WeakPolarHBondContact O-CA 3.48Å; M24-F88 HydrophobicContact CB-CD1 4.31Å; M24-F88 HydrophobicContact CB-CE1 4.37Å; M24-F88 HydrophobicContact CE-CE1 4.17Å; M24-F88 HydrophobicContact CE-CZ 4.12Å; M24-F88 HydrophobicContact CG-CD1 4.07Å; M24-F88 HydrophobicContact CG-CE1 3.71Å; M24-F88 HydrophobicContact CG-CZ 4.33Å; M24-F88 HydrophobicContact SD-CE1 3.91Å; M24-F88 HydrophobicContact SD-CZ 4.46Å; V38-F88 HydrophobicContact CG1-CE1 4.47Å; V38-F88 HydrophobicContact CG2-CD1 4.42Å; V38-F88 HydrophobicContact CG2-CE1 4.24Å; L45-F88 HydrophobicContact CD2-CE1 4.12Å; L45-F88 HydrophobicContact CD2-CE2 4.26Å; L45-F88 HydrophobicContact CD2-CZ 3.69Å; L59-F88 HydrophobicContact CD1-CZ 4.16Å; T73-F88 VanDerWaalsContact CA-O 3.28Å; T73-F88 WeakPolarHBondContact CA-O 3.45Å; T73-F88 WeakPolarHBondContact CG2-O 3.4Å; F74-F88 HydrophobicContact CD1-CB 3.95Å; F74-F88 HydrophobicContact CD2-CB 4.21Å; F74-F88 AromaticContact CD2-CD2 4Å; F74-F88 HydrophobicContact CD2-CD2 4Å; F74-F88 HydrophobicContact CD2-CG 4.46Å; F74-F88 HydrophobicContact CE1-CB 3.46Å; F74-F88 VanDerWaalsContact CE1-CB 3.46Å; F74-F88 HydrophobicContact CE1-CG 4.2Å; F74-F88 HydrophobicContact CE2-CB 3.75Å; F74-F88 AromaticContact CE2-CD2 3.38Å; F74-F88 HydrophobicContact CE2-CD2 3.38Å; F74-F88 HydrophobicContact CE2-CE2 4.15Å; F74-F88 AromaticContact CE2-CG 3.71Å; F74-F88 HydrophobicContact CE2-CG 3.71Å; F74-F88 HydrophobicContact CG-CB 4.31Å; F74-F88 HydrophobicContact CZ-CB 3.35Å; F74-F88 HydrophobicContact CZ-CD1 4.31Å; F74-F88 AromaticContact CZ-CD2 3.78Å; F74-F88 HydrophobicContact CZ-CD2 3.78Å; F74-F88 AromaticContact CZ-CG 3.56Å; F74-F88 HydrophobicContact CZ-CG 3.56Å; F74-F88 PolarHBondContact N-O 3.27Å; F74-F88 PolarHBondContact O-N 2.97Å; I76-F88 HydrophobicContact CD1-CD2 4.37Å; I76-F88 HydrophobicContact CD1-CE2 3.67Å; I76-F88 HydrophobicContact CD1-CZ 4.33Å; I76-F88 HydrophobicContact CG1-CD2 4.35Å; I76-F88 HydrophobicContact CG1-CE2 3.93Å
89E98.5Very high91.1Very high74 Ų7477.1 Ų77.135%0.34638%0.379SS..EExtended strand (participates in β ladder)trans-108.5123.1178.5-62.1177.4-177.500109L22 G23 V33 T73 L87L22-E89 WeakPolarHBondContact CA-O 3.48Å; G23-E89 PolarHBondContact N-O 2.63Å; G23-E89 PolarHBondContact O-N 2.93Å; V33-E89 WeakPolarHBondContact CG2-OE1 3.35Å; T73-E89 HydrophobicContact CG2-CG 4.35Å; L87-E89 HydrophobicContact CD2-CG 3.77Å
90C98.4Very high91.7Very high9 Ų972.4 Ų72.46%0.06136%0.355CS..  trans-99.7162-179.7-56.90000110.6L22 Q72 S92 Q95 C96L22-C90 HydrophobicContact CD2-CB 4.34Å; Q72-C90 VanDerWaalsContact O-CB 3.25Å; Q72-C90 WeakPolarHBondContact O-CB 3.28Å; Q72-C90 PolarHBondContact O-N 3.03Å; C90-S92 VanDerWaalsContact C-N 3.34Å; C90-Q95 HydrophobicContact CB-CB 4.19Å; C90-Q95 HydrophobicContact CB-CG 4.03Å; C90-Q95 VanDerWaalsContact CB-OE1 3.3Å; C90-C96 HydrophobicContact CB-CB 3.99Å; C90-C96 WeakPolarHBondContact SG-CA 3.41Å
91D97.1Very high92.7Very high93 Ų9367.9 Ų67.950%0.49733%0.331SS..SBendtrans-82.2-15.1178.7-60.6-23.6000111.9R35 Q72R35-D91 IonicContact CZ-OD1 2.88Å; R35-D91 IonicContact CZ-OD2 3.37Å; R35-D91 IonicContact NH1-OD1 2.7Å; R35-D91 PolarHBondContact NH1-OD1 3.22Å; R35-D91 IonicContact NH1-OD2 3.75Å; R35-D91 IonicContact NH2-OD1 3.16Å; R35-D91 PolarHBondContact NH2-OD1 3.37Å; R35-D91 IonicContact NH2-OD2 3.93Å; R35-D91 PolarHBondContact NH2-OD2 3.49Å; Q72-D91 PolarHBondContact NE2-O 3.14Å
92S98Very high93.8Very high39 Ų3964.6 Ų64.627%0.27332%0.319SS..SBendtrans-151.8162.3179.261.60000112.7C90 E94 Q95 C96C90-S92 VanDerWaalsContact C-N 3.34Å; S92-E94 VanDerWaalsContact C-N 3.33Å; S92-Q95 PolarHBondContact O-N 2.83Å; S92-Q95 VanDerWaalsContact OG-CB 3.22Å; S92-Q95 WeakPolarHBondContact OG-CB 3.38Å; S92-Q95 PolarHBondContact OG-N 2.98Å; S92-Q95 VanDerWaalsContact OG-N 3.14Å; S92-C96 PolarHBondContact O-N 3.3Å; S92-C96 VanDerWaalsContact O-N 3.07Å
93E98.2Very high95.5Very high91 Ų9161.2 Ų61.243%0.42529%0.29SS..Hα-helixtrans-65.6-38.7174.5155.2157.1-144.800111.6R68 S71 C96 K97R68-E93 IonicContact CZ-OE1 2.72Å; R68-E93 IonicContact NH1-OE1 2.82Å; R68-E93 PolarHBondContact NH1-OE1 2.75Å; R68-E93 IonicContact NH2-OE1 3.17Å; R68-E93 PolarHBondContact NH2-OE1 2.69Å; R68-E93 IonicContact NH2-OE2 3.01Å; S71-E93 WeakPolarHBondContact O-CA 3.28Å; S71-E93 WeakPolarHBondContact O-CB 3.38Å; E93-C96 WeakPolarHBondContact O-CB 3.17Å; E93-C96 PolarHBondContact O-N 2.97Å; E93-K97 PolarHBondContact O-N 3.19Å
94E98.3Very high96.9Very high122 Ų12255.1 Ų55.157%0.5726%0.263SS*.Hα-helixtrans-60.7-48.4176.5-65.772.6-161.200110.6S92 C96 K97 E98S92-E94 VanDerWaalsContact C-N 3.33Å; E94-C96 VanDerWaalsContact C-N 3.34Å; E94-C96 PolarHBondContact O-N 3.13Å; E94-K97 PolarHBondContact O-N 2.98Å; E94-E98 WeakPolarHBondContact O-CG 3.48Å; E94-E98 PolarHBondContact O-N 3.49Å
95Q98.1Very high97.7Very high35 Ų3554 Ų5416%0.16426%0.263CS..Hα-helixtrans-60.4-43.7176.1-179.7-179.97400111.2C90 S92 K97 E98 W99C90-Q95 HydrophobicContact CB-CB 4.19Å; C90-Q95 HydrophobicContact CB-CG 4.03Å; C90-Q95 VanDerWaalsContact CB-OE1 3.3Å; S92-Q95 PolarHBondContact O-N 2.83Å; S92-Q95 VanDerWaalsContact OG-CB 3.22Å; S92-Q95 WeakPolarHBondContact OG-CB 3.38Å; S92-Q95 PolarHBondContact OG-N 2.98Å; S92-Q95 VanDerWaalsContact OG-N 3.14Å; Q95-K97 VanDerWaalsContact C-N 3.3Å; Q95-K97 PolarHBondContact O-N 3.11Å; Q95-E98 PolarHBondContact O-N 3.47Å; Q95-W99 PolarHBondContact O-N 3.16Å
96C98.3Very high97.9Very high0 Ų050.7 Ų50.70%025%0.25CC..Hα-helixtrans-59.2-41.3177.2-175.50000112.3C90 S92 E93 E94 T100C90-C96 HydrophobicContact CB-CB 3.99Å; C90-C96 WeakPolarHBondContact SG-CA 3.41Å; S92-C96 PolarHBondContact O-N 3.3Å; S92-C96 VanDerWaalsContact O-N 3.07Å; E93-C96 WeakPolarHBondContact O-CB 3.17Å; E93-C96 PolarHBondContact O-N 2.97Å; E94-C96 VanDerWaalsContact C-N 3.34Å; E94-C96 PolarHBondContact O-N 3.13Å; C96-T100 WeakPolarHBondContact O-CB 3.22Å; C96-T100 PolarHBondContact O-N 3.05Å; C96-T100 PolarHBondContact O-OG1 3.44Å
97K98.2Very high97.9Very high125 Ų12549.4 Ų49.454%0.54325%0.247SC..Hα-helixtrans-66.5-47.4176.9-176.7-176.6174.8-173.70111.6E93 E94 Q95 W99 T100 D101E93-K97 PolarHBondContact O-N 3.19Å; E94-K97 PolarHBondContact O-N 2.98Å; Q95-K97 VanDerWaalsContact C-N 3.3Å; Q95-K97 PolarHBondContact O-N 3.11Å; K97-W99 VanDerWaalsContact C-N 3.32Å; K97-W99 PolarHBondContact O-N 2.85Å; K97-T100 PolarHBondContact O-N 2.86Å; K97-D101 WeakPolarHBondContact O-CB 3.47Å; K97-D101 PolarHBondContact O-N 2.85Å
98E98.3Very high97.8Very high115 Ų11552.7 Ų52.754%0.53726%0.259SS..Hα-helixtrans-58.8-43.1179-73.2177.7174.500112.1M18 E94 Q95 S102M18-E98 HydrophobicContact CE-CB 3.82Å; E94-E98 WeakPolarHBondContact O-CG 3.48Å; E94-E98 PolarHBondContact O-N 3.49Å; Q95-E98 PolarHBondContact O-N 3.47Å; E98-S102 VanDerWaalsContact O-CB 3.28Å; E98-S102 WeakPolarHBondContact O-CB 3.39Å; E98-S102 PolarHBondContact O-N 3.46Å; E98-S102 PolarHBondContact O-OG 3.15Å
99W98.5Very high97.5Very high1 Ų155.8 Ų55.80%0.00427%0.274CS..Hα-helixtrans-63.6-48174.8-84.4107.9000112.1M18 A20 L22 V38 L40 L45 F74 Q95 K97 D101 S102 I103M18-W99 HydrophobicContact CB-CE3 4.36Å; M18-W99 HydrophobicContact CB-CH2 3.71Å; M18-W99 HydrophobicContact CB-CZ2 4.04Å; M18-W99 HydrophobicContact CB-CZ3 3.89Å; M18-W99 HydrophobicContact CE-CD2 3.91Å; M18-W99 HydrophobicContact CE-CG 4.01Å; M18-W99 HydrophobicContact CE-CZ2 4.44Å; M18-W99 HydrophobicContact SD-CD2 4.26Å; M18-W99 HydrophobicContact SD-CE3 4.3Å; A20-W99 HydrophobicContact CB-CZ2 3.72Å; L22-W99 HydrophobicContact CD1-CD2 4.14Å; L22-W99 HydrophobicContact CD1-CG 4.41Å; L22-W99 HydrophobicContact CD1-CZ2 4.2Å; V38-W99 HydrophobicContact CB-CH2 4.33Å; V38-W99 HydrophobicContact CG1-CH2 4.05Å; V38-W99 HydrophobicContact CG1-CZ3 4.16Å; V38-W99 WeakPolarHBondContact O-CH2 3.32Å; L40-W99 HydrophobicContact CB-CZ3 4.05Å; L45-W99 HydrophobicContact CD1-CE3 4.36Å; L45-W99 HydrophobicContact CD1-CZ3 3.71Å; F74-W99 HydrophobicContact CD1-CB 4.41Å; F74-W99 HydrophobicContact CE1-CB 3.64Å; F74-W99 HydrophobicContact CE1-CG 4.19Å; F74-W99 HydrophobicContact CZ-CB 3.91Å; F74-W99 HydrophobicContact CZ-CG 4.41Å; Q95-W99 PolarHBondContact O-N 3.16Å; K97-W99 VanDerWaalsContact C-N 3.32Å; K97-W99 PolarHBondContact O-N 2.85Å; W99-D101 VanDerWaalsContact C-N 3.35Å; W99-D101 PolarHBondContact O-N 3.06Å; W99-S102 PolarHBondContact O-N 2.82Å; W99-I103 HydrophobicContact CE3-CD1 4.14Å; W99-I103 HydrophobicContact CE3-CG1 4.37Å; W99-I103 WeakPolarHBondContact O-CB 3.02Å; W99-I103 WeakPolarHBondContact O-CD1 3.37Å; W99-I103 WeakPolarHBondContact O-CG1 3.5Å; W99-I103 PolarHBondContact O-N 2.94Å
100T98.3Very high97.3Very high17 Ų1755.2 Ų55.210%0.10427%0.27CS..Hα-helixtrans-58.3-48.2179.2-58.80000111V66 C96 K97 S102 I104V66-T100 HydrophobicContact CG1-CG2 3.88Å; C96-T100 WeakPolarHBondContact O-CB 3.22Å; C96-T100 PolarHBondContact O-N 3.05Å; C96-T100 PolarHBondContact O-OG1 3.44Å; K97-T100 PolarHBondContact O-N 2.86Å; T100-S102 PolarHBondContact O-N 2.85Å; T100-I104 HydrophobicContact CG2-CD1 3.83Å; T100-I104 WeakPolarHBondContact O-CB 3.45Å; T100-I104 WeakPolarHBondContact O-CD1 3.22Å; T100-I104 WeakPolarHBondContact O-CG1 3.41Å; T100-I104 PolarHBondContact O-N 3.17Å
101D98Very high97.1Very high66 Ų6658.3 Ų58.335%0.35329%0.285SS..Hα-helixtrans-63.1-42.3179.7-76-14.5000111.8K97 W99 K105K97-D101 WeakPolarHBondContact O-CB 3.47Å; K97-D101 PolarHBondContact O-N 2.85Å; W99-D101 VanDerWaalsContact C-N 3.35Å; W99-D101 PolarHBondContact O-N 3.06Å; D101-K105 WeakPolarHBondContact O-CB 3.28Å; D101-K105 WeakPolarHBondContact O-CD 3.41Å; D101-K105 WeakPolarHBondContact O-CG 3.47Å; D101-K105 PolarHBondContact O-N 2.84Å
102S98.3Very high96.8Very high30 Ų3057.9 Ų57.921%0.2128%0.276CS..Hα-helixtrans-71.5-39.9-178-60.20000112.3M18 E98 W99 T100 K105 A106M18-S102 WeakPolarHBondContact SD-CB 3.3Å; M18-S102 PolarHBondContact SD-OG 2.66Å; E98-S102 VanDerWaalsContact O-CB 3.28Å; E98-S102 WeakPolarHBondContact O-CB 3.39Å; E98-S102 PolarHBondContact O-N 3.46Å; E98-S102 PolarHBondContact O-OG 3.15Å; W99-S102 PolarHBondContact O-N 2.82Å; T100-S102 PolarHBondContact O-N 2.85Å; S102-K105 PolarHBondContact O-N 2.87Å; S102-A106 VanDerWaalsContact O-CB 3.29Å; S102-A106 WeakPolarHBondContact O-CB 3.41Å; S102-A106 PolarHBondContact O-N 2.89Å
103I98.1Very high96.6Very high0 Ų064 Ų640%029%0.293CS..Hα-helixtrans-64.7-42.9174.8-66.2165.3000110.4L45 L61 V66 F74 I76 W99 K105 A106 S107L45-I103 HydrophobicContact CD1-CD1 4.48Å; L45-I103 HydrophobicContact CD1-CG1 4.46Å; L45-I103 HydrophobicContact CD2-CD1 4.24Å; L61-I103 HydrophobicContact CD1-CB 4.45Å; L61-I103 HydrophobicContact CD1-CG2 3.84Å; L61-I103 HydrophobicContact CD2-CG2 3.79Å; L61-I103 HydrophobicContact CG-CG2 4.43Å; V66-I103 HydrophobicContact CG2-CB 4.4Å; V66-I103 HydrophobicContact CG2-CG2 3.55Å; F74-I103 HydrophobicContact CD2-CD1 4.44Å; F74-I103 HydrophobicContact CE2-CD1 3.48Å; F74-I103 VanDerWaalsContact CE2-CD1 3.48Å; F74-I103 HydrophobicContact CZ-CD1 3.74Å; I76-I103 HydrophobicContact CD1-CD1 4.09Å; I76-I103 HydrophobicContact CD1-CG2 4.15Å; W99-I103 HydrophobicContact CE3-CD1 4.14Å; W99-I103 HydrophobicContact CE3-CG1 4.37Å; W99-I103 WeakPolarHBondContact O-CB 3.02Å; W99-I103 WeakPolarHBondContact O-CD1 3.37Å; W99-I103 WeakPolarHBondContact O-CG1 3.5Å; W99-I103 PolarHBondContact O-N 2.94Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 2.8Å; I103-A106 PolarHBondContact O-N 3.48Å; I103-S107 PolarHBondContact O-N 2.9Å
104I97.4Very high96.3Very high66 Ų6661.5 Ų61.534%0.33828%0.283SS..Hα-helixtrans-59.6-45.7174.6-71.2167.4000110.2V66 T100 A106 S107 F110V66-I104 HydrophobicContact CB-CG1 4.14Å; V66-I104 HydrophobicContact CG2-CG1 4.18Å; T100-I104 HydrophobicContact CG2-CD1 3.83Å; T100-I104 WeakPolarHBondContact O-CB 3.45Å; T100-I104 WeakPolarHBondContact O-CD1 3.22Å; T100-I104 WeakPolarHBondContact O-CG1 3.41Å; T100-I104 PolarHBondContact O-N 3.17Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 3.33Å; I104-S107 WeakPolarHBondContact O-CB 3.34Å; I104-S107 PolarHBondContact O-N 2.68Å; I104-S107 PolarHBondContact O-OG 3.05Å; I104-F110 HydrophobicContact CG2-CD2 4.24Å; I104-F110 WeakPolarHBondContact O-CB 3.21Å
105K97.1Very high96Very high116 Ų11658.8 Ų58.850%0.50427%0.272SS..Hα-helixtrans-64.8-35.1179.3-73.4167.8-173.6169.10113.3D101 S102 I103 S107 F110D101-K105 WeakPolarHBondContact O-CB 3.28Å; D101-K105 WeakPolarHBondContact O-CD 3.41Å; D101-K105 WeakPolarHBondContact O-CG 3.47Å; D101-K105 PolarHBondContact O-N 2.84Å; S102-K105 PolarHBondContact O-N 2.87Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 2.8Å; K105-S107 VanDerWaalsContact C-N 3.3Å; K105-F110 VanDerWaalsContact CA-CD1 3.42Å; K105-F110 HydrophobicContact CB-CD1 4.12Å; K105-F110 HydrophobicContact CB-CE1 3.95Å; K105-F110 HydrophobicContact CG-CD1 4.27Å; K105-F110 HydrophobicContact CG-CE1 3.68Å; K105-F110 HydrophobicContact CG-CZ 3.87Å; K105-F110 VanDerWaalsContact O-CD1 3.23Å; K105-F110 WeakPolarHBondContact O-CD1 3.14Å
106A97.3Very high95.6Very high10 Ų1058.5 Ų58.58%0.08327%0.271CS..Hα-helixtrans-77.7-13.4177.400000113.7L40 V42 N43 L61 S102 I103 I104 M111L40-A106 HydrophobicContact CD1-CB 3.84Å; L40-A106 HydrophobicContact CD2-CB 4.05Å; L40-A106 HydrophobicContact CG-CB 4.37Å; V42-A106 WeakPolarHBondContact O-CB 3.11Å; N43-A106 VanDerWaalsContact CB-O 3.26Å; N43-A106 WeakPolarHBondContact CB-O 3.36Å; L61-A106 HydrophobicContact CD1-CB 3.82Å; S102-A106 VanDerWaalsContact O-CB 3.29Å; S102-A106 WeakPolarHBondContact O-CB 3.41Å; S102-A106 PolarHBondContact O-N 2.89Å; I103-A106 PolarHBondContact O-N 3.48Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 3.33Å; A106-M111 WeakPolarHBondContact O-CE 3.36Å
107S96.1Very high95.3Very high16 Ų1663.9 Ų63.911%0.11230%0.295CS..SBendtrans-64.9143.6179.672.80000112.1L61 I103 I104 K105 E109 F110 M111L61-S107 CarbonylContact O-C 3.53Å; L61-S107 VanDerWaalsContact O-CA 3.28Å; L61-S107 WeakPolarHBondContact O-CA 3.4Å; I103-S107 PolarHBondContact O-N 2.9Å; I104-S107 WeakPolarHBondContact O-CB 3.34Å; I104-S107 PolarHBondContact O-N 2.68Å; I104-S107 PolarHBondContact O-OG 3.05Å; K105-S107 VanDerWaalsContact C-N 3.3Å; S107-E109 PolarHBondContact O-N 3.42Å; S107-F110 PolarHBondContact O-N 3.21Å; S107-F110 VanDerWaalsContact O-N 3.14Å; S107-F110 WeakPolarHBondContact OG-CB 3.24Å; S107-F110 PolarHBondContact OG-N 3.45Å; S107-M111 PolarHBondContact O-N 3.3Å
108Y94.3Very high95.1Very high80 Ų8064.4 Ų64.431%0.31429%0.294SS..Hα-helixtrans-53.4-42.5178.9171.7-102.8000112.2L61 F110 M111 R112 F142L61-Y108 PolarHBondContact O-N 3.43Å; Y108-F110 PolarHBondContact O-N 3Å; Y108-M111 PolarHBondContact O-N 3.32Å; Y108-R112 HydrophobicContact CE1-CB 4.5Å; Y108-R112 WeakPolarHBondContact O-CB 3.42Å; Y108-R112 PolarHBondContact O-N 2.9Å; Y108-F142 HydrophobicContact CE2-CE1 4.38Å; Y108-F142 WeakPolarHBondContact OH-CE1 3.33Å
109E93.2Very high94.7Very high66 Ų6661 Ų6131%0.30828%0.277SS..Hα-helixtrans-65.4-38.4-177.8-59.1-55.2157.500112.6Q63 S107 R113Q63-E109 PolarHBondContact NE2-OE1 3.15Å; S107-E109 PolarHBondContact O-N 3.42Å; E109-R113 WeakPolarHBondContact O-CB 3.48Å; E109-R113 PolarHBondContact O-N 3.46Å
110F94.7Very high94.3Very high62 Ų6264.4 Ų64.427%0.27230%0.297SS..Hα-helixtrans-68.8-47.9175.1-173.2-90.5000111I104 K105 S107 Y108 R112 R113 N114I104-F110 HydrophobicContact CG2-CD2 4.24Å; I104-F110 WeakPolarHBondContact O-CB 3.21Å; K105-F110 VanDerWaalsContact CA-CD1 3.42Å; K105-F110 HydrophobicContact CB-CD1 4.12Å; K105-F110 HydrophobicContact CB-CE1 3.95Å; K105-F110 HydrophobicContact CG-CD1 4.27Å; K105-F110 HydrophobicContact CG-CE1 3.68Å; K105-F110 HydrophobicContact CG-CZ 3.87Å; K105-F110 VanDerWaalsContact O-CD1 3.23Å; K105-F110 WeakPolarHBondContact O-CD1 3.14Å; S107-F110 PolarHBondContact O-N 3.21Å; S107-F110 VanDerWaalsContact O-N 3.14Å; S107-F110 WeakPolarHBondContact OG-CB 3.24Å; S107-F110 PolarHBondContact OG-N 3.45Å; Y108-F110 PolarHBondContact O-N 3Å; F110-R112 VanDerWaalsContact C-N 3.33Å; F110-R112 PolarHBondContact O-N 3.41Å; F110-R113 PolarHBondContact O-N 3.14Å; F110-N114 WeakPolarHBondContact CD1-ND2 3.21Å; F110-N114 WeakPolarHBondContact CE1-ND2 3.49Å; F110-N114 WeakPolarHBondContact CZ-ND2 3.32Å; F110-N114 PolarHBondContact O-N 2.97Å; F110-N114 PolarHBondContact O-ND2 2.92Å
111M93.4Very high94.1Very high75 Ų7566.5 Ų66.537%0.36931%0.306SS..Hα-helixtrans-59.6-44.2177.8-68.6-167.9-65.500111.7N43 A106 S107 Y108 R113 N114 L115N43-M111 HydrophobicContact CB-CE 3.82Å; A106-M111 WeakPolarHBondContact O-CE 3.36Å; S107-M111 PolarHBondContact O-N 3.3Å; Y108-M111 PolarHBondContact O-N 3.32Å; M111-R113 PolarHBondContact O-N 3.24Å; M111-N114 PolarHBondContact O-N 3.04Å; M111-L115 WeakPolarHBondContact O-CB 3.25Å; M111-L115 PolarHBondContact O-N 2.99Å
112R91.8Very high93.9Very high83 Ų8366.8 Ų66.831%0.31331%0.307SS..Hα-helixtrans-60.5-46.4176.7-175.6-178.6-177.4-78.3-8.9111.5Y108 F110 N114 L115 I116 F142Y108-R112 HydrophobicContact CE1-CB 4.5Å; Y108-R112 WeakPolarHBondContact O-CB 3.42Å; Y108-R112 PolarHBondContact O-N 2.9Å; F110-R112 VanDerWaalsContact C-N 3.33Å; F110-R112 PolarHBondContact O-N 3.41Å; R112-N114 PolarHBondContact O-N 3.31Å; R112-L115 PolarHBondContact O-N 2.99Å; R112-I116 HydrophobicContact CG-CD1 4.06Å; R112-I116 VanDerWaalsContact O-CG1 3.32Å; R112-I116 WeakPolarHBondContact O-CG1 3.28Å; R112-I116 PolarHBondContact O-N 3.43Å; R112-F142 HydrophobicContact CG-CD1 4.24Å
113R92.1Very high93.5Very high169 Ų16969.8 Ų69.864%0.63832%0.317SS*.Hα-helixtrans-60.7-45177.5-174.2-175.8-61.7138.13.6111.6E109 F110 M111 I116 F117E109-R113 WeakPolarHBondContact O-CB 3.48Å; E109-R113 PolarHBondContact O-N 3.46Å; F110-R113 PolarHBondContact O-N 3.14Å; M111-R113 PolarHBondContact O-N 3.24Å; R113-I116 PolarHBondContact O-N 2.9Å; R113-F117 WeakPolarHBondContact O-CB 3.41Å; R113-F117 PolarHBondContact O-N 3.07Å
114N93.8Very high93.3Very high37 Ų3777.4 Ų77.420%0.19835%0.346CS..Hα-helixtrans-66.9-41.3178.5-76.4-69000112.3F110 M111 R112 I116 F117 Y118F110-N114 WeakPolarHBondContact CD1-ND2 3.21Å; F110-N114 WeakPolarHBondContact CE1-ND2 3.49Å; F110-N114 WeakPolarHBondContact CZ-ND2 3.32Å; F110-N114 PolarHBondContact O-N 2.97Å; F110-N114 PolarHBondContact O-ND2 2.92Å; M111-N114 PolarHBondContact O-N 3.04Å; R112-N114 PolarHBondContact O-N 3.31Å; N114-I116 VanDerWaalsContact C-N 3.32Å; N114-I116 PolarHBondContact O-N 3.03Å; N114-F117 PolarHBondContact O-N 3.43Å; N114-Y118 HydrophobicContact CB-CD2 4.16Å; N114-Y118 HydrophobicContact CB-CE2 3.86Å; N114-Y118 WeakPolarHBondContact O-CB 3.22Å; N114-Y118 WeakPolarHBondContact O-CD2 3.17Å; N114-Y118 PolarHBondContact O-N 3.37Å
115L91.2Very high93.3Very high65 Ų6579.9 Ų79.934%0.3436%0.359SS..Hα-helixtrans-57-48.3175.2179.467.4000111M111 R112 F117 R119 F142M111-L115 WeakPolarHBondContact O-CB 3.25Å; M111-L115 PolarHBondContact O-N 2.99Å; R112-L115 PolarHBondContact O-N 2.99Å; L115-F117 VanDerWaalsContact C-N 3.35Å; L115-F117 PolarHBondContact O-N 3.27Å; L115-R119 VanDerWaalsContact O-CB 3.24Å; L115-R119 WeakPolarHBondContact O-CB 3.48Å; L115-R119 PolarHBondContact O-N 3.2Å; L115-F142 HydrophobicContact CD2-CD2 3.43Å; L115-F142 VanDerWaalsContact CD2-CD2 3.43Å; L115-F142 HydrophobicContact CD2-CE2 3.81Å; L115-F142 HydrophobicContact CD2-CG 4.11Å
116I89.7Confident93.2Very high29 Ų2978.3 Ų78.315%0.14936%0.359CS..Hα-helixtrans-59.7-46.9177-73169.4000110.9R112 R113 N114 T120 F142 V144R112-I116 HydrophobicContact CG-CD1 4.06Å; R112-I116 VanDerWaalsContact O-CG1 3.32Å; R112-I116 WeakPolarHBondContact O-CG1 3.28Å; R112-I116 PolarHBondContact O-N 3.43Å; R113-I116 PolarHBondContact O-N 2.9Å; N114-I116 VanDerWaalsContact C-N 3.32Å; N114-I116 PolarHBondContact O-N 3.03Å; I116-T120 WeakPolarHBondContact O-CB 3.4Å; I116-T120 PolarHBondContact O-N 3.21Å; I116-T120 PolarHBondContact O-OG1 2.87Å; I116-F142 HydrophobicContact CG1-CB 4.3Å; I116-F142 WeakPolarHBondContact CG1-O 3.47Å; I116-V144 HydrophobicContact CG2-CG2 3.43Å; I116-V144 VanDerWaalsContact CG2-CG2 3.43Å
117F92.4Very high92.9Very high114 Ų11480.4 Ų80.450%0.538%0.382SS..Hα-helixtrans-59.7-53.3179.2174.2-98.5000111.7R113 N114 L115 R119 T120 E121R113-F117 WeakPolarHBondContact O-CB 3.41Å; R113-F117 PolarHBondContact O-N 3.07Å; N114-F117 PolarHBondContact O-N 3.43Å; L115-F117 VanDerWaalsContact C-N 3.35Å; L115-F117 PolarHBondContact O-N 3.27Å; F117-R119 PolarHBondContact O-N 2.95Å; F117-T120 PolarHBondContact O-N 3.49Å; F117-E121 WeakPolarHBondContact O-CB 3.42Å; F117-E121 PolarHBondContact O-N 3.45Å
118Y92.9Very high92.6Very high135 Ų13586.6 Ų86.653%0.52941%0.407SS..Hα-helixtrans-65.8-39.4-178.3-65.9-49.9000112.5N114 T120 E121 I122N114-Y118 HydrophobicContact CB-CD2 4.16Å; N114-Y118 HydrophobicContact CB-CE2 3.86Å; N114-Y118 WeakPolarHBondContact O-CB 3.22Å; N114-Y118 WeakPolarHBondContact O-CD2 3.17Å; N114-Y118 PolarHBondContact O-N 3.37Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.14Å; Y118-E121 PolarHBondContact O-N 3.49Å; Y118-I122 WeakPolarHBondContact O-CB 3.39Å; Y118-I122 WeakPolarHBondContact O-CD1 3.09Å; Y118-I122 VanDerWaalsContact O-CG1 3.23Å; Y118-I122 WeakPolarHBondContact O-CG1 3.27Å; Y118-I122 PolarHBondContact O-N 2.93Å
119R90.1Very high92.2Very high45 Ų4583.4 Ų83.417%0.1740%0.396CS..Hα-helixtrans-59.2-46.3174.2-178.3179.9174.2-134.9-9.1111.1L115 F117 E121 H123 D129 P130 R141L115-R119 VanDerWaalsContact O-CB 3.24Å; L115-R119 WeakPolarHBondContact O-CB 3.48Å; L115-R119 PolarHBondContact O-N 3.2Å; F117-R119 PolarHBondContact O-N 2.95Å; R119-E121 VanDerWaalsContact C-N 3.35Å; R119-E121 PolarHBondContact O-N 2.72Å; R119-H123 WeakPolarHBondContact O-CB 3.41Å; R119-H123 PolarHBondContact O-N 2.96Å; R119-D129 IonicContact CZ-OD2 3.3Å; R119-D129 VanDerWaalsContact NE-CG 3.3Å; R119-D129 IonicContact NE-OD1 2.92Å; R119-D129 PolarHBondContact NE-OD1 2.83Å; R119-D129 VanDerWaalsContact NE-OD1 3.08Å; R119-D129 IonicContact NE-OD2 3.08Å; R119-D129 PolarHBondContact NE-OD2 2.95Å; R119-D129 IonicContact NH2-OD2 3.81Å; R119-D129 PolarHBondContact NH2-OD2 3.45Å; R119-P130 HydrophobicContact CB-CG 4.43Å; R119-P130 HydrophobicContact CG-CG 4.15Å; R119-R141 VanDerWaalsContact CZ-CB 3.44Å; R119-R141 VanDerWaalsContact NH1-CB 3.34Å; R119-R141 PolarHBondContact NH1-O 3.06Å
120T90Very high92Very high72 Ų7281.8 Ų81.844%0.44239%0.391SS..Hα-helixtrans-61.6-44.8178.4-560000111I116 F117 Y118 H123 R124I116-T120 WeakPolarHBondContact O-CB 3.4Å; I116-T120 PolarHBondContact O-N 3.21Å; I116-T120 PolarHBondContact O-OG1 2.87Å; F117-T120 PolarHBondContact O-N 3.49Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.14Å; T120-H123 PolarHBondContact O-N 2.89Å; T120-R124 WeakPolarHBondContact O-CB 3.49Å; T120-R124 PolarHBondContact O-N 2.8Å
121E94.4Very high91.6Very high61 Ų6180.3 Ų80.329%0.28539%0.386SS..Hα-helixtrans-70.6-40.3-177.2-169.961.6-173.900112.6F117 Y118 R119 R124 L125F117-E121 WeakPolarHBondContact O-CB 3.42Å; F117-E121 PolarHBondContact O-N 3.45Å; Y118-E121 PolarHBondContact O-N 3.49Å; R119-E121 VanDerWaalsContact C-N 3.35Å; R119-E121 PolarHBondContact O-N 2.72Å; E121-R124 PolarHBondContact O-N 2.87Å; E121-R124 IonicContact OE1-CZ 3.42Å; E121-R124 IonicContact OE1-NE 2.63Å; E121-R124 PolarHBondContact OE1-NE 2.77Å; E121-R124 IonicContact OE1-NH2 2.66Å; E121-R124 PolarHBondContact OE1-NH2 2.78Å; E121-R124 IonicContact OE2-CZ 3.73Å; E121-R124 IonicContact OE2-NE 2.91Å; E121-R124 PolarHBondContact OE2-NE 2.82Å; E121-R124 IonicContact OE2-NH2 3.72Å; E121-L125 HydrophobicContact CG-CD1 4.26Å; E121-L125 WeakPolarHBondContact O-CB 3.36Å; E121-L125 VanDerWaalsContact O-CG 3.3Å; E121-L125 WeakPolarHBondContact O-CG 3.38Å; E121-L125 PolarHBondContact O-N 3.04Å
122I93.4Very high91.1Very high72 Ų7281.8 Ų81.837%0.36939%0.392SS..Hα-helixtrans-64.2-43.6174.5-67.6164.3000110.5Y118 R124 L125 T126 P130Y118-I122 WeakPolarHBondContact O-CB 3.39Å; Y118-I122 WeakPolarHBondContact O-CD1 3.09Å; Y118-I122 VanDerWaalsContact O-CG1 3.23Å; Y118-I122 WeakPolarHBondContact O-CG1 3.27Å; Y118-I122 PolarHBondContact O-N 2.93Å; I122-R124 VanDerWaalsContact C-N 3.34Å; I122-R124 PolarHBondContact O-N 3.02Å; I122-L125 PolarHBondContact O-N 2.79Å; I122-T126 HydrophobicContact CG2-CG2 4.21Å; I122-T126 WeakPolarHBondContact O-CB 3.31Å; I122-T126 WeakPolarHBondContact O-CG2 3.05Å; I122-T126 PolarHBondContact O-N 2.69Å; I122-T126 PolarHBondContact O-OG1 2.8Å; I122-P130 HydrophobicContact CB-CG 4.11Å; I122-P130 HydrophobicContact CD1-CB 4.27Å; I122-P130 HydrophobicContact CD1-CG 4.08Å; I122-P130 HydrophobicContact CG2-CB 4.04Å; I122-P130 HydrophobicContact CG2-CG 3.99Å
123H90.8Very high90.7Very high92 Ų9284.9 Ų84.943%0.42641%0.41SS..Hα-helixtrans-61.9-43.4176.4-177.780000111.4R119 T120 L125 T126 G127 K128R119-H123 WeakPolarHBondContact O-CB 3.41Å; R119-H123 PolarHBondContact O-N 2.96Å; T120-H123 PolarHBondContact O-N 2.89Å; H123-L125 VanDerWaalsContact C-N 3.29Å; H123-L125 PolarHBondContact O-N 2.97Å; H123-T126 PolarHBondContact O-N 2.83Å; H123-G127 WeakPolarHBondContact O-CA 3.39Å; H123-G127 PolarHBondContact O-N 2.7Å; H123-K128 WeakPolarHBondContact CA-O 3.2Å
124R93.6Very high90.2Very high160 Ų16084.4 Ų84.460%0.60441%0.409SS*.Hα-helixtrans-58.6-39.4175.9-170.3-172.572.577.2-1.2112.6T120 E121 I122T120-R124 WeakPolarHBondContact O-CB 3.49Å; T120-R124 PolarHBondContact O-N 2.8Å; E121-R124 PolarHBondContact O-N 2.87Å; E121-R124 IonicContact OE1-CZ 3.42Å; E121-R124 IonicContact OE1-NE 2.63Å; E121-R124 PolarHBondContact OE1-NE 2.77Å; E121-R124 IonicContact OE1-NH2 2.66Å; E121-R124 PolarHBondContact OE1-NH2 2.78Å; E121-R124 IonicContact OE2-CZ 3.73Å; E121-R124 IonicContact OE2-NE 2.91Å; E121-R124 PolarHBondContact OE2-NE 2.82Å; E121-R124 IonicContact OE2-NH2 3.72Å; I122-R124 VanDerWaalsContact C-N 3.34Å; I122-R124 PolarHBondContact O-N 3.02Å
125L96.3Very high89.5Confident118 Ų11885.9 Ų85.962%0.61843%0.433SS*.Hα-helixtrans-81.9-33.2-177.4-70.8172.5000113.7E121 I122 H123E121-L125 HydrophobicContact CG-CD1 4.26Å; E121-L125 WeakPolarHBondContact O-CB 3.36Å; E121-L125 VanDerWaalsContact O-CG 3.3Å; E121-L125 WeakPolarHBondContact O-CG 3.38Å; E121-L125 PolarHBondContact O-N 3.04Å; I122-L125 PolarHBondContact O-N 2.79Å; H123-L125 VanDerWaalsContact C-N 3.29Å; H123-L125 PolarHBondContact O-N 2.97Å
126T95.2Very high88.8Confident83 Ų8385.7 Ų85.751%0.50943%0.432SS..Hα-helixtrans-112.9-14-169.968.10000114I122 H123 K128I122-T126 HydrophobicContact CG2-CG2 4.21Å; I122-T126 WeakPolarHBondContact O-CB 3.31Å; I122-T126 WeakPolarHBondContact O-CG2 3.05Å; I122-T126 PolarHBondContact O-N 2.69Å; I122-T126 PolarHBondContact O-OG1 2.8Å; H123-T126 PolarHBondContact O-N 2.83Å; T126-K128 PolarHBondContact O-N 3.47Å; T126-K128 PolarHBondContact OG1-N 3Å; T126-K128 PolarHBondContact OG1-O 3.01Å
127G90.9Very high87.9Confident55 Ų5587.1 Ų87.157%0.56744%0.444SS*.SBendtrans70.65.5-171.900000114.4H123H123-G127 WeakPolarHBondContact O-CA 3.39Å; H123-G127 PolarHBondContact O-N 2.7Å
128K89.5Confident86.6Confident146 Ų14686.2 Ų86.264%0.63545%0.445SS*.SBendtrans-124.9139.8-176.4-63.7-175.7-179-178.60110.8H123 T126 P130H123-K128 WeakPolarHBondContact CA-O 3.2Å; T126-K128 PolarHBondContact O-N 3.47Å; T126-K128 PolarHBondContact OG1-N 3Å; T126-K128 PolarHBondContact OG1-O 3.01Å; K128-P130 WeakPolarHBondContact O-CD 3.21Å
129D87.2Confident85.2Confident12 Ų1287.7 Ų87.76%0.06446%0.457CS..  trans-74.3121.9171.2-179-7.7000109.9R119 L131 E132 R141R119-D129 IonicContact CZ-OD2 3.3Å; R119-D129 VanDerWaalsContact NE-CG 3.3Å; R119-D129 IonicContact NE-OD1 2.92Å; R119-D129 PolarHBondContact NE-OD1 2.83Å; R119-D129 VanDerWaalsContact NE-OD1 3.08Å; R119-D129 IonicContact NE-OD2 3.08Å; R119-D129 PolarHBondContact NE-OD2 2.95Å; R119-D129 IonicContact NH2-OD2 3.81Å; R119-D129 PolarHBondContact NH2-OD2 3.45Å; D129-L131 PolarHBondContact O-N 2.85Å; D129-L131 WeakPolarHBondContact OD1-CB 3.2Å; D129-L131 PolarHBondContact OD1-N 2.92Å; D129-E132 HydrophobicContact CB-CB 4.43Å; D129-E132 HydrophobicContact CB-CG 3.81Å; D129-E132 PolarHBondContact O-N 2.95Å; D129-E132 VanDerWaalsContact O-N 3.15Å; D129-R141 VanDerWaalsContact OD2-CD 3.32Å; D129-R141 WeakPolarHBondContact OD2-CD 3.36Å; D129-R141 IonicContact OD2-CZ 3.96Å; D129-R141 IonicContact OD2-NE 3.92Å; D129-R141 IonicContact OD2-NH1 3.48Å; D129-R141 PolarHBondContact OD2-NH1 2.91Å
130P88.1Confident84.2Confident33 Ų3389.5 Ų89.521%0.21447%0.473CS..THydrogen-bonded Turntrans-60.4-19.6179.224.8-35.1000113.9R119 I122 K128 Q133R119-P130 HydrophobicContact CB-CG 4.43Å; R119-P130 HydrophobicContact CG-CG 4.15Å; I122-P130 HydrophobicContact CB-CG 4.11Å; I122-P130 HydrophobicContact CD1-CB 4.27Å; I122-P130 HydrophobicContact CD1-CG 4.08Å; I122-P130 HydrophobicContact CG2-CB 4.04Å; I122-P130 HydrophobicContact CG2-CG 3.99Å; K128-P130 WeakPolarHBondContact O-CD 3.21Å; P130-Q133 PolarHBondContact O-NE2 2.94Å; P130-Q133 VanDerWaalsContact O-NE2 3.07Å
131L87.1Confident83.3Confident30 Ų3087.1 Ų87.116%0.15746%0.456CS..THydrogen-bonded Turntrans-91.4-10.2-179-59.5-173.6000114.3D129 Q133 Y134 I136 R141D129-L131 PolarHBondContact O-N 2.85Å; D129-L131 WeakPolarHBondContact OD1-CB 3.2Å; D129-L131 PolarHBondContact OD1-N 2.92Å; L131-Q133 VanDerWaalsContact C-N 3.31Å; L131-Q133 PolarHBondContact O-N 3.02Å; L131-Y134 HydrophobicContact CD2-CD2 4.32Å; L131-Y134 PolarHBondContact O-N 3.21Å; L131-I136 HydrophobicContact CB-CD1 4.49Å; L131-R141 HydrophobicContact CB-CG 4.24Å; L131-R141 HydrophobicContact CD1-CB 4.32Å; L131-R141 HydrophobicContact CD1-CG 4.23Å
132E82.9Confident82Confident106 Ų10687.8 Ų87.850%0.49546%0.458SS..G310 helixtrans-58.1-41.5-178.4-91.4168.1-161.300113.2D129 Y134 G135D129-E132 HydrophobicContact CB-CB 4.43Å; D129-E132 HydrophobicContact CB-CG 3.81Å; D129-E132 PolarHBondContact O-N 2.95Å; D129-E132 VanDerWaalsContact O-N 3.15Å; E132-Y134 PolarHBondContact O-N 2.87Å; E132-Y134 VanDerWaalsContact O-N 3.14Å; E132-G135 PolarHBondContact O-N 2.87Å; E132-G135 VanDerWaalsContact O-N 3.13Å
133Q82.2Confident80.5Confident149 Ų14989 Ų8970%0.69646%0.462SS*.G310 helixtrans-62.7-20.8-17866.2-171.7-3600114.1P130 L131 G135P130-Q133 PolarHBondContact O-NE2 2.94Å; P130-Q133 VanDerWaalsContact O-NE2 3.07Å; L131-Q133 VanDerWaalsContact C-N 3.31Å; L131-Q133 PolarHBondContact O-N 3.02Å; Q133-G135 VanDerWaalsContact C-N 3.32Å
134Y83.4Confident78.8Confident158 Ų15888.2 Ų88.262%0.6246%0.463SS*.G310 helixtrans-89.62.4-179-59.9-74.4000112.9L131 E132 I136L131-Y134 HydrophobicContact CD2-CD2 4.32Å; L131-Y134 PolarHBondContact O-N 3.21Å; E132-Y134 PolarHBondContact O-N 2.87Å; E132-Y134 VanDerWaalsContact O-N 3.14Å; Y134-I136 PolarHBondContact O-N 2.87Å; Y134-I136 VanDerWaalsContact O-N 3.16Å
135G77.5Confident76.4Confident69 Ų6987.7 Ų87.771%0.71147%0.472SS*.THydrogen-bonded Turntrans66.315.3178.600000114.2E132 Q133E132-G135 PolarHBondContact O-N 2.87Å; E132-G135 VanDerWaalsContact O-N 3.13Å; Q133-G135 VanDerWaalsContact C-N 3.32Å
136I77.3Confident73.8Confident60 Ų6086 Ų8631%0.30847%0.471SS..  trans-69.5131.6177.4-56.9171.2000107.7L131 Y134 T140 R141L131-I136 HydrophobicContact CB-CD1 4.49Å; Y134-I136 PolarHBondContact O-N 2.87Å; Y134-I136 VanDerWaalsContact O-N 3.16Å; I136-T140 HydrophobicContact CG2-CG2 4.18Å; I136-R141 HydrophobicContact CB-CG 4.12Å; I136-R141 HydrophobicContact CG2-CG 3.71Å; I136-R141 PolarHBondContact O-NE 2.91Å; I136-R141 PolarHBondContact O-NH2 2.84Å
137S69.9Low71.3Confident59 Ų5985.9 Ų85.941%0.41349%0.486SS..  trans-67.8151177.867.60000111.8E139 T140 R141S137-E139 PolarHBondContact O-N 2.93Å; S137-T140 WeakPolarHBondContact O-CA 3.18Å; S137-T140 PolarHBondContact O-N 2.58Å; S137-T140 PolarHBondContact OG-OG1 3.3Å; S137-R141 WeakPolarHBondContact O-CG 3.3Å; S137-R141 PolarHBondContact O-N 3.35Å
138D65.9Low68.8Low96 Ų9687.7 Ų87.751%0.51349%0.49SS..THydrogen-bonded Turntrans-56.7-33.3-179.5-79.9-37.8000114.1T140 R141 Q143D138-T140 VanDerWaalsContact C-N 3.26Å; D138-T140 PolarHBondContact O-N 2.72Å; D138-R141 PolarHBondContact O-N 2.65Å; D138-R141 IonicContact OD1-CZ 3.43Å; D138-R141 IonicContact OD1-NE 3.81Å; D138-R141 IonicContact OD1-NH1 2.66Å; D138-R141 PolarHBondContact OD1-NH1 3.28Å; D138-Q143 PolarHBondContact O-NE2 2.77Å
139E63.6Low66.3Low165 Ų16590.1 Ų90.177%0.77150%0.504SS*.THydrogen-bonded Turntrans-62.8-33.6174-67.7174.5166.700112.3S137S137-E139 PolarHBondContact O-N 2.93Å
140T68.3Low64Low83 Ų8397.2 Ų97.251%0.50954%0.541SS..THydrogen-bonded Turntrans-91.5-7.7-175.7-42.90000112.4I136 S137 D138 F142I136-T140 HydrophobicContact CG2-CG2 4.18Å; S137-T140 WeakPolarHBondContact O-CA 3.18Å; S137-T140 PolarHBondContact O-N 2.58Å; S137-T140 PolarHBondContact OG-OG1 3.3Å; D138-T140 VanDerWaalsContact C-N 3.26Å; D138-T140 PolarHBondContact O-N 2.72Å; T140-F142 PolarHBondContact O-N 2.82Å; T140-F142 VanDerWaalsContact O-N 3.11Å
141R70.8Confident61.5Low22 Ų22103.1 Ų103.18%0.08357%0.567CS.*SBendtrans-81.423.7179.6-66.1175.2-168164.6-4114R119 D129 L131 I136 S137 D138R119-R141 VanDerWaalsContact CZ-CB 3.44Å; R119-R141 VanDerWaalsContact NH1-CB 3.34Å; R119-R141 PolarHBondContact NH1-O 3.06Å; D129-R141 VanDerWaalsContact OD2-CD 3.32Å; D129-R141 WeakPolarHBondContact OD2-CD 3.36Å; D129-R141 IonicContact OD2-CZ 3.96Å; D129-R141 IonicContact OD2-NE 3.92Å; D129-R141 IonicContact OD2-NH1 3.48Å; D129-R141 PolarHBondContact OD2-NH1 2.91Å; L131-R141 HydrophobicContact CB-CG 4.24Å; L131-R141 HydrophobicContact CD1-CB 4.32Å; L131-R141 HydrophobicContact CD1-CG 4.23Å; I136-R141 HydrophobicContact CB-CG 4.12Å; I136-R141 HydrophobicContact CG2-CG 3.71Å; I136-R141 PolarHBondContact O-NE 2.91Å; I136-R141 PolarHBondContact O-NH2 2.84Å; S137-R141 WeakPolarHBondContact O-CG 3.3Å; S137-R141 PolarHBondContact O-N 3.35Å; D138-R141 PolarHBondContact O-N 2.65Å; D138-R141 IonicContact OD1-CZ 3.43Å; D138-R141 IonicContact OD1-NE 3.81Å; D138-R141 IonicContact OD1-NH1 2.66Å; D138-R141 PolarHBondContact OD1-NH1 3.28Å
142F67.1Low59Low76 Ų76106.1 Ų106.133%0.33360%0.597SS.*  trans52.266.8179.1-56.8-87.4000112.2Y108 R112 L115 I116 T140 V144Y108-F142 HydrophobicContact CE2-CE1 4.38Å; Y108-F142 WeakPolarHBondContact OH-CE1 3.33Å; R112-F142 HydrophobicContact CG-CD1 4.24Å; L115-F142 HydrophobicContact CD2-CD2 3.43Å; L115-F142 VanDerWaalsContact CD2-CD2 3.43Å; L115-F142 HydrophobicContact CD2-CE2 3.81Å; L115-F142 HydrophobicContact CD2-CG 4.11Å; I116-F142 HydrophobicContact CG1-CB 4.3Å; I116-F142 WeakPolarHBondContact CG1-O 3.47Å; T140-F142 PolarHBondContact O-N 2.82Å; T140-F142 VanDerWaalsContact O-N 3.11Å; F142-V144 PolarHBondContact O-N 2.91Å
143Q63.9Low57Low98 Ų98111 Ų11146%0.45861%0.611SS.*  trans-48.9135.8-176-63.7-176.4200112.1D138 N145D138-Q143 PolarHBondContact O-NE2 2.77Å; Q143-N145 PolarHBondContact O-N 2.85Å; Q143-N145 VanDerWaalsContact O-N 3.1Å
144V53.2Low55.1Low74 Ų74111.2 Ų111.245%0.44862%0.616SS.*  trans-66.2105.5158.5-175.90000103.7I116 F142 S146I116-V144 HydrophobicContact CG2-CG2 3.43Å; I116-V144 VanDerWaalsContact CG2-CG2 3.43Å; F142-V144 PolarHBondContact O-N 2.91Å; V144-S146 PolarHBondContact O-N 3.2Å
145N44.4Very low53.1Low149 Ų149110.3 Ų110.380%0.79763%0.628SS**  trans-65.187.4159.4-107.23.9000105.3Q143 G147Q143-N145 PolarHBondContact O-N 2.85Å; Q143-N145 VanDerWaalsContact O-N 3.1Å; N145-G147 VanDerWaalsContact C-N 3.33Å; N145-G147 PolarHBondContact O-N 3.17Å
146S42.2Very low51.3Low83 Ų83112.2 Ų112.258%0.5863%0.63SS**  trans-57.1108.6156.2-60.80000104.1V144 S148V144-S146 PolarHBondContact O-N 3.2Å; S146-S148 PolarHBondContact O-N 3.22Å
147G42.4Very low49.6Very low81 Ų81114.4 Ų114.484%0.83565%0.65SS**  trans-61.977.4169.100000109.3N145N145-G147 VanDerWaalsContact C-N 3.33Å; N145-G147 PolarHBondContact O-N 3.17Å
148S37.4Very low48Very low92 Ų92123.4 Ų123.464%0.64369%0.693SS**  trans-127.247.1174.8-48.90000108.7S146 L150S146-S148 PolarHBondContact O-N 3.22Å; S148-L150 PolarHBondContact O-N 2.89Å
149Q36.9Very low47.1Very low198 Ų198124.8 Ų124.893%0.92570%0.702SS**  trans-83.958.3147.4-86.6-178.9-15.100108.4M151Q149-M151 PolarHBondContact O-N 3.08Å
150L38.4Very low46.2Very low161 Ų161122.7 Ų122.784%0.84370%0.698SS**  trans-84.8101.9151.3-96148000104.7S148 A152S148-L150 PolarHBondContact O-N 2.89Å; L150-A152 PolarHBondContact O-N 3.4Å
151M35.6Very low45Very low156 Ų156124.9 Ų124.977%0.76871%0.708SS**  trans-45103.7170.8-70.1-171.5155.900109.7Q149 R153Q149-M151 PolarHBondContact O-N 3.08Å; M151-R153 PolarHBondContact O-N 2.76Å
152A36.3Very low43.5Very low94 Ų94130.9 Ų130.978%0.77775%0.745SS**  trans-70.583.4149.100000105.5L150 D154L150-A152 PolarHBondContact O-N 3.4Å; A152-D154 PolarHBondContact O-N 3.25Å; A152-D154 VanDerWaalsContact O-N 3.15Å
153R40Very low42Very low209 Ų209134.4 Ų134.479%0.78977%0.771SS**  trans-69.2105.7159.7-100-177.8174.4175.4-1.3105.7M151 T155M151-R153 PolarHBondContact O-N 2.76Å; R153-T155 PolarHBondContact O-N 2.97Å; R153-T155 VanDerWaalsContact O-N 3.14Å
154D42.3Very low40.6Very low152 Ų152136.8 Ų136.881%0.81379%0.792SS**  trans-44.8114.4156.3-70.2-45.9000109.4A152A152-D154 PolarHBondContact O-N 3.25Å; A152-D154 VanDerWaalsContact O-N 3.15Å
155T41.6Very low39.7Very low140 Ų140141.3 Ų141.386%0.85982%0.816SS**  trans-135.778.9146.251.70000107.1R153R153-T155 PolarHBondContact O-N 2.97Å; R153-T155 VanDerWaalsContact O-N 3.14Å
156S39Very low39.3Very low109 Ų109140.7 Ų140.776%0.76282%0.818SS**  trans-87.1129152.7-135.20000107.6
157S42.3Very low39Very low105 Ų105145.5 Ų145.573%0.73484%0.838SS**  trans82.695.5150.3-39.70000117.8
158L36.3Very low38.7Very low249 Ų249151.4 Ų151.4100%1.30484%0.838SS**  -175.3093.9-90.8167.3000110.4

Retrieved 158 of 158 residues in 72.7 ms (Link to these results)

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