A0A077Z6T2_TRITR Loading...

Alpha-1,3/1,6-mannosyltransferase ALG2

Mannosylates Man(2)GlcNAc(2)-dolichol diphosphate and Man(1)GlcNAc(2)-dolichol diphosphate to form Man(3)GlcNAc(2)-dolichol diphosphate.

AlphaFold DB , UniProt , Accession A0A077Z6T2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 733 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
1M43.6Very low83.4Confident239 Ų23952.2 Ų52.2100%1.17727%0.271SS*.  0146.20-67.8176.7-161.200108.1
2A51.7Low84.2Confident32 Ų3249.1 Ų49.126%0.26426%0.256SS..  trans-56.1149.517000000109.6E4A2-E4 PolarHBondContact O-N 3.34Å; A2-E4 VanDerWaalsContact O-N 3.16Å
3P63.8Low84.7Confident79 Ų7948.8 Ų48.851%0.51326%0.256SS..  trans-57.9125.1166.824.1-30.1000108.4L5P3-L5 PolarHBondContact O-N 2.77Å; P3-L5 VanDerWaalsContact O-N 3.17Å
4E86.4Confident85Confident123 Ų12345.4 Ų45.458%0.57524%0.238SC*.  trans-61.6115.2175.6-178.8-175.4162.400108.7A2 N36A2-E4 PolarHBondContact O-N 3.34Å; A2-E4 VanDerWaalsContact O-N 3.16Å; E4-N36 HydrophobicContact CG-CB 4.31Å; E4-N36 WeakPolarHBondContact OE1-CB 3.43Å
5L92.7Very high84.9Confident11 Ų1143.3 Ų43.36%0.05823%0.231CC..  trans-87.9143.5173-61175.6000109P3 I7 H35 N36 Q100 C403 F407P3-L5 PolarHBondContact O-N 2.77Å; P3-L5 VanDerWaalsContact O-N 3.17Å; L5-I7 HydrophobicContact CB-CD1 3.97Å; L5-I7 HydrophobicContact CB-CG1 3.8Å; L5-I7 HydrophobicContact CD1-CD1 4.44Å; L5-H35 PolarHBondContact N-ND1 3.27Å; L5-N36 PolarHBondContact O-N 3.02Å; L5-Q100 HydrophobicContact CD2-CB 4.33Å; L5-C403 HydrophobicContact CD1-CB 3.88Å; L5-F407 HydrophobicContact CD1-CD2 3.51Å; L5-F407 HydrophobicContact CD1-CE2 4.03Å; L5-F407 HydrophobicContact CD1-CG 4.21Å; L5-F407 HydrophobicContact CD2-CB 4.28Å; L5-F407 HydrophobicContact CD2-CD1 4.28Å; L5-F407 HydrophobicContact CD2-CD2 3.86Å; L5-F407 HydrophobicContact CD2-CE2 4.3Å; L5-F407 HydrophobicContact CD2-CG 3.86Å; L5-F407 HydrophobicContact CG-CD2 4.36Å
6K95.2Very high84.4Confident89 Ų8945.9 Ų45.939%0.38724%0.244SC..EExtended strand (participates in β ladder)trans-91.7118.8163.9-64.2-177.6174-176.40108.5N36 S98 F99 Q100 L101K6-N36 CarbonylContact C-O 3.59Å; K6-N36 WeakPolarHBondContact CA-O 3.39Å; K6-N36 HydrophobicContact CG-CB 4.12Å; K6-S98 WeakPolarHBondContact CB-O 3.39Å; K6-S98 WeakPolarHBondContact CD-O 3.43Å; K6-F99 HydrophobicContact CB-CD1 3.95Å; K6-F99 WeakPolarHBondContact O-CA 3.32Å; K6-Q100 VanDerWaalsContact CB-OE1 3.31Å; K6-Q100 PolarHBondContact O-N 3.44Å; K6-Q100 PolarHBondContact O-OE1 2.94Å; K6-L101 PolarHBondContact O-N 3.3Å
7I96.4Very high84.1Confident0 Ų044.2 Ų44.20%024%0.239CC..EExtended strand (participates in β ladder)trans-125.1128.1-169.3-50.7-177.3000109L5 F9 L30 H35 N36 V37 Q38 L101 F103L5-I7 HydrophobicContact CB-CD1 3.97Å; L5-I7 HydrophobicContact CB-CG1 3.8Å; L5-I7 HydrophobicContact CD1-CD1 4.44Å; I7-F9 HydrophobicContact CG2-CD2 4.47Å; I7-F9 HydrophobicContact CG2-CE2 4.02Å; I7-L30 HydrophobicContact CD1-CB 4.31Å; I7-L30 HydrophobicContact CD1-CD1 3.74Å; I7-L30 HydrophobicContact CD1-CD2 4.24Å; I7-L30 HydrophobicContact CD1-CG 4.35Å; I7-L30 HydrophobicContact CG2-CD1 3.92Å; I7-H35 HydrophobicContact CD1-CB 3.76Å; I7-H35 HydrophobicContact CG1-CB 4.38Å; I7-N36 PolarHBondContact N-O 3.31Å; I7-V37 WeakPolarHBondContact O-CA 3.32Å; I7-Q38 PolarHBondContact O-N 2.97Å; I7-L101 VanDerWaalsContact CA-O 3.32Å; I7-L101 WeakPolarHBondContact CA-O 3.34Å; I7-L101 HydrophobicContact CD1-CD2 4.29Å; I7-L101 HydrophobicContact CG1-CB 4.24Å; I7-L101 HydrophobicContact CG2-CB 4.23Å; I7-L101 HydrophobicContact CG2-CD2 4.43Å; I7-L101 HydrophobicContact CG2-CG 4.37Å; I7-F103 HydrophobicContact CG2-CD2 3.73Å; I7-F103 HydrophobicContact CG2-CE2 3.86Å
8A96.9Very high83.9Confident0 Ų045.2 Ų45.20%026%0.262CS..EExtended strand (participates in β ladder)trans-106.1143.3174.800000111.3L10 Q38 F40 F99 L101 I102 F103A8-L10 HydrophobicContact CB-CD1 4.12Å; A8-Q38 CarbonylContact C-O 3.46Å; A8-Q38 VanDerWaalsContact CA-O 3.31Å; A8-Q38 WeakPolarHBondContact CA-O 3.3Å; A8-F40 HydrophobicContact CB-CD2 4.25Å; A8-F40 HydrophobicContact CB-CE2 4Å; A8-F99 HydrophobicContact CB-CD1 3.93Å; A8-F99 HydrophobicContact CB-CD2 3.75Å; A8-F99 HydrophobicContact CB-CE1 3.99Å; A8-F99 HydrophobicContact CB-CE2 3.79Å; A8-F99 HydrophobicContact CB-CG 3.83Å; A8-F99 HydrophobicContact CB-CZ 3.93Å; A8-L101 PolarHBondContact N-O 2.69Å; A8-I102 HydrophobicContact CB-CG1 4.31Å; A8-I102 HydrophobicContact CB-CG2 4.46Å; A8-I102 CarbonylContact O-C 3.54Å; A8-I102 WeakPolarHBondContact O-CA 3.44Å; A8-F103 PolarHBondContact O-N 2.93Å
9F97.5Very high83.9Confident0 Ų043.5 Ų43.50%025%0.254CS..EExtended strand (participates in β ladder)trans-115.1127.9167.7-74.8-97000109.3I7 I23 A26 A27 L30 V37 Q38 M39 F40 F103 M399I7-F9 HydrophobicContact CG2-CD2 4.47Å; I7-F9 HydrophobicContact CG2-CE2 4.02Å; F9-I23 HydrophobicContact CD1-CD1 3.52Å; F9-I23 HydrophobicContact CD1-CG1 3.61Å; F9-I23 HydrophobicContact CE1-CD1 3.75Å; F9-I23 HydrophobicContact CE1-CG1 4.16Å; F9-A26 HydrophobicContact CE1-CB 3.76Å; F9-A26 HydrophobicContact CZ-CB 4.02Å; F9-A27 HydrophobicContact CD2-CB 4.03Å; F9-A27 HydrophobicContact CE2-CB 3.82Å; F9-A27 HydrophobicContact CG-CB 4.47Å; F9-A27 HydrophobicContact CZ-CB 4.08Å; F9-L30 HydrophobicContact CE2-CD1 3.85Å; F9-L30 HydrophobicContact CZ-CD1 3.64Å; F9-V37 HydrophobicContact CD2-CG1 3.67Å; F9-V37 HydrophobicContact CE2-CG1 3.63Å; F9-Q38 PolarHBondContact N-O 3.16Å; F9-M39 HydrophobicContact CB-CG 4.15Å; F9-F40 PolarHBondContact O-N 3Å; F9-F103 CarbonylContact C-O 3.52Å; F9-F103 WeakPolarHBondContact CA-O 3.42Å; F9-F103 HydrophobicContact CD1-CB 3.42Å; F9-F103 VanDerWaalsContact CD1-CB 3.42Å; F9-F103 HydrophobicContact CD1-CD2 4.45Å; F9-F103 HydrophobicContact CD1-CG 4.03Å; F9-F103 HydrophobicContact CE1-CB 3.55Å; F9-F103 HydrophobicContact CE1-CD1 4.14Å; F9-F103 AromaticContact CE1-CD2 3.92Å; F9-F103 HydrophobicContact CE1-CD2 3.92Å; F9-F103 AromaticContact CE1-CG 3.61Å; F9-F103 HydrophobicContact CE1-CG 3.61Å; F9-F103 HydrophobicContact CE2-CD2 4.22Å; F9-F103 HydrophobicContact CG-CB 4.05Å; F9-F103 HydrophobicContact CZ-CB 4.26Å; F9-F103 AromaticContact CZ-CD2 3.8Å; F9-F103 HydrophobicContact CZ-CD2 3.8Å; F9-F103 HydrophobicContact CZ-CE2 4.29Å; F9-F103 AromaticContact CZ-CG 3.98Å; F9-F103 HydrophobicContact CZ-CG 3.98Å; F9-M399 HydrophobicContact CZ-CE 4.43Å
10L97.1Very high84.2Confident0 Ų043.2 Ų43.20%025%0.25CC..EExtended strand (participates in β ladder)trans-113.7107.4175.9-80.964.3000108.5A8 F40 M87 V91 I102 F103 V104 A110 V114A8-L10 HydrophobicContact CB-CD1 4.12Å; L10-F40 HydrophobicContact CD1-CD2 4.14Å; L10-M87 HydrophobicContact CB-CE 3.81Å; L10-M87 HydrophobicContact CD2-CE 4.48Å; L10-M87 HydrophobicContact CG-CE 4.02Å; L10-V91 HydrophobicContact CD1-CG1 4.44Å; L10-I102 HydrophobicContact CD1-CG2 3.72Å; L10-F103 PolarHBondContact N-O 3.47Å; L10-V104 HydrophobicContact CB-CG2 4.32Å; L10-A110 HydrophobicContact CD2-CB 4.19Å; L10-V114 HydrophobicContact CD2-CG1 3.83Å
11H96.2Very high84.5Confident1 Ų143.4 Ų43.41%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-130.6129.8-174.4179.480.1000111.6L14 I23 F40 T41 D105H11-L14 VanDerWaalsContact CD2-CD1 3.46Å; H11-L14 WeakPolarHBondContact CD2-CD1 3.42Å; H11-I23 HydrophobicContact CB-CG2 4.38Å; H11-F40 PolarHBondContact N-O 3.13Å; H11-T41 WeakPolarHBondContact O-CA 3.48Å; H11-T41 VanDerWaalsContact O-CB 3.24Å; H11-T41 WeakPolarHBondContact O-CB 3.32Å; H11-T41 PolarHBondContact O-OG1 3.47Å; H11-D105 WeakPolarHBondContact CA-OD1 3.26Å; H11-D105 WeakPolarHBondContact CB-OD1 3.45Å; H11-D105 IonicContact CE1-OD2 3.6Å; H11-D105 PolarHBondContact CE1-OD2 2.96Å; H11-D105 VanDerWaalsContact CE1-OD2 3.23Å; H11-D105 IonicContact CG-OD1 3.57Å; H11-D105 IonicContact CG-OD2 2.69Å; H11-D105 IonicContact ND1-OD1 3.64Å; H11-D105 PolarHBondContact ND1-OD1 2.84Å; H11-D105 IonicContact ND1-OD2 3.84Å; H11-D105 PolarHBondContact ND1-OD2 2.69Å
12P93.3Very high86.8Confident15 Ų1532.3 Ų32.310%0.09719%0.192CC..SBendtrans-72.3135.2175.928.9-32.3000111.9M84 Q106 I107P12-M84 HydrophobicContact CB-CG 4.11Å; P12-M84 HydrophobicContact CB-SD 3.65Å; P12-M84 HydrophobicContact CG-SD 4.22Å; P12-Q106 HydrophobicContact CG-CB 3.66Å; P12-Q106 HydrophobicContact CG-CG 4.25Å; P12-I107 HydrophobicContact CB-CD1 3.92Å; P12-I107 HydrophobicContact CG-CD1 3.95Å; P12-I107 HydrophobicContact CG-CG1 4.1Å
13D90.1Very high88.8Confident46 Ų4630.8 Ų30.825%0.24618%0.179CC..SBendtrans42.373.6169.2-61-23.7000115.5G15 T41 T42 H43 R83D13-G15 PolarHBondContact O-N 3.36Å; D13-T41 PolarHBondContact N-OG1 3.15Å; D13-T42 PolarHBondContact N-OG1 2.98Å; D13-T42 PolarHBondContact OD1-OG1 3.21Å; D13-H43 CarbonylContact C-O 3.59Å; D13-H43 HydrophobicContact CB-CB 4.16Å; D13-H43 WeakPolarHBondContact OD1-CB 3.39Å; D13-H43 PolarHBondContact OD1-N 2.68Å; D13-R83 IonicContact OD1-CZ 2.68Å; D13-R83 IonicContact OD1-NE 3.31Å; D13-R83 IonicContact OD1-NH2 3.39Å; D13-R83 PolarHBondContact OD1-NH2 3.06Å
14L89Confident90.3Very high1 Ų127 Ų271%0.00516%0.155CC..BIsolated β-bridgetrans-67.593-177.2-165.668.9000112.8H11 I23 V24 M39 T41 H43 H44 T53 V60H11-L14 VanDerWaalsContact CD2-CD1 3.46Å; H11-L14 WeakPolarHBondContact CD2-CD1 3.42Å; L14-I23 HydrophobicContact CD1-CG2 4.28Å; L14-V24 HydrophobicContact CD1-CG2 4.17Å; L14-M39 HydrophobicContact CD1-CE 4.06Å; L14-M39 HydrophobicContact CD2-CE 4.12Å; L14-T41 HydrophobicContact CB-CG2 3.95Å; L14-T41 PolarHBondContact N-OG1 3.38Å; L14-T41 VanDerWaalsContact N-OG1 3.09Å; L14-H43 PolarHBondContact N-O 3.41Å; L14-H44 PolarHBondContact O-CD2 3.33Å; L14-T53 HydrophobicContact CD2-CG2 3.83Å; L14-V60 HydrophobicContact CD2-CG1 4.19Å; L14-V60 HydrophobicContact CD2-CG2 4.13Å
15G84.4Confident90.6Very high13 Ų1322.2 Ų22.213%0.13413%0.133CC..  trans-111.6-139.9177.400000113.9D13D13-G15 PolarHBondContact O-N 3.36Å
16I76.6Confident90.7Very high86 Ų8621.7 Ų21.744%0.44113%0.131SC..SBendtrans-116.6117.5173.8-58.1174.6000107.7H48 F50I16-H48 VanDerWaalsContact CB-CE1 3.49Å; I16-H48 WeakPolarHBondContact CB-CE1 3.45Å; I16-H48 PolarHBondContact N-CE1 3.31Å; I16-H48 VanDerWaalsContact N-CE1 3.35Å; I16-H48 PolarHBondContact N-ND1 2.96Å; I16-F50 HydrophobicContact CG2-CE1 4.3Å; I16-F50 HydrophobicContact CG2-CZ 4.11Å
17G78.4Confident90.8Very high16 Ų1617.5 Ų17.517%0.16511%0.112CC..SBendtrans-179.4175179.400000111.4E20 R21G17-E20 WeakPolarHBondContact CA-OE2 3.43Å; G17-E20 PolarHBondContact N-OE2 2.74Å; G17-R21 WeakPolarHBondContact O-CB 3.33Å; G17-R21 PolarHBondContact O-N 3.02Å
18G80.7Confident90.7Very high63 Ų6318 Ų1865%0.64912%0.116SC*.Hα-helixtrans-70.7-33.3-174.200000113.6L22G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 2.83Å
19A84.7Confident90.5Very high13 Ų1318.2 Ų18.211%0.10712%0.117CC..Hα-helixtrans-75.3-41.8177.700000111L22 I23 Q106 H127A19-L22 PolarHBondContact O-N 3Å; A19-I23 PolarHBondContact O-N 3.02Å; A19-Q106 HydrophobicContact CB-CG 4.31Å; A19-H127 VanDerWaalsContact CA-CE1 3.48Å; A19-H127 WeakPolarHBondContact CA-CE1 3.43Å
20E89.8Confident90.4Very high36 Ų3618.2 Ų18.217%0.16812%0.117CC..Hα-helixtrans-59.1-45.8174.5-61.174.1-17600110.5G17 L22 I23 V24 F50G17-E20 WeakPolarHBondContact CA-OE2 3.43Å; G17-E20 PolarHBondContact N-OE2 2.74Å; E20-L22 PolarHBondContact O-N 3.14Å; E20-I23 WeakPolarHBondContact O-CG2 3.34Å; E20-I23 PolarHBondContact O-N 3.42Å; E20-V24 WeakPolarHBondContact O-CB 3.26Å; E20-V24 VanDerWaalsContact O-CG2 3.22Å; E20-V24 WeakPolarHBondContact O-CG2 3.41Å; E20-V24 PolarHBondContact O-N 3.45Å; E20-F50 HydrophobicContact CB-CD2 4.47Å; E20-F50 HydrophobicContact CB-CE2 3.73Å
21R90Very high90.2Very high48 Ų4821.5 Ų21.518%0.18113%0.131CC..Hα-helixtrans-59.6-48.3177.2-177.261.1-112174.9-6.4111.1G17 I23 V24 D25 F50 E52G17-R21 WeakPolarHBondContact O-CB 3.33Å; G17-R21 PolarHBondContact O-N 3.02Å; R21-I23 PolarHBondContact O-N 3.29Å; R21-V24 PolarHBondContact O-N 3.37Å; R21-D25 WeakPolarHBondContact CG-OD2 3.32Å; R21-D25 IonicContact CZ-OD1 2.65Å; R21-D25 VanDerWaalsContact CZ-OD1 3.26Å; R21-D25 IonicContact CZ-OD2 3.48Å; R21-D25 VanDerWaalsContact NE-CG 3.31Å; R21-D25 IonicContact NE-OD1 3.74Å; R21-D25 PolarHBondContact NE-OD1 3.35Å; R21-D25 VanDerWaalsContact NE-OD1 3.14Å; R21-D25 IonicContact NE-OD2 3.4Å; R21-D25 PolarHBondContact NE-OD2 3.47Å; R21-D25 IonicContact NH2-OD1 2.98Å; R21-D25 PolarHBondContact NH2-OD1 3.05Å; R21-D25 IonicContact NH2-OD2 2.8Å; R21-D25 PolarHBondContact O-N 3.32Å; R21-D25 VanDerWaalsContact O-OD2 3.08Å; R21-F50 HydrophobicContact CB-CE1 4.33Å; R21-F50 HydrophobicContact CB-CE2 3.99Å; R21-F50 HydrophobicContact CB-CZ 3.64Å; R21-F50 HydrophobicContact CG-CZ 4.31Å; R21-E52 IonicContact CZ-OE1 2.73Å; R21-E52 VanDerWaalsContact CZ-OE1 3.3Å; R21-E52 IonicContact NH1-OE1 3.9Å; R21-E52 PolarHBondContact NH1-OE1 3.01Å; R21-E52 IonicContact NH1-OE2 2.94Å; R21-E52 PolarHBondContact NH1-OE2 2.88Å; R21-E52 IonicContact NH2-OE1 3.18Å; R21-E52 PolarHBondContact NH2-OE1 3.09Å
22L91.9Very high89.9Confident6 Ų626.7 Ų26.73%0.03115%0.154CC..Hα-helixtrans-60.4-45.8-178.6-176.4161.2000112.2G18 A19 E20 V24 D25 A26 Y125 P191 F395G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 2.83Å; A19-L22 PolarHBondContact O-N 3Å; E20-L22 PolarHBondContact O-N 3.14Å; L22-V24 VanDerWaalsContact C-N 3.31Å; L22-V24 PolarHBondContact O-N 3.32Å; L22-D25 WeakPolarHBondContact O-CB 3.27Å; L22-D25 PolarHBondContact O-N 3.04Å; L22-A26 PolarHBondContact O-N 3.15Å; L22-Y125 HydrophobicContact CD1-CD1 4.26Å; L22-Y125 HydrophobicContact CD1-CE1 3.44Å; L22-Y125 VanDerWaalsContact CD1-CE1 3.44Å; L22-Y125 HydrophobicContact CD1-CE2 4.45Å; L22-Y125 WeakPolarHBondContact CD1-OH 3.44Å; L22-Y125 HydrophobicContact CD2-CD1 3.74Å; L22-Y125 HydrophobicContact CD2-CD2 3.88Å; L22-Y125 HydrophobicContact CD2-CE1 3.62Å; L22-Y125 HydrophobicContact CD2-CE2 3.73Å; L22-Y125 HydrophobicContact CD2-CG 3.9Å; L22-Y125 HydrophobicContact CG-CE1 4.19Å; L22-P191 HydrophobicContact CD1-CB 4.16Å; L22-P191 HydrophobicContact CD1-CG 3.73Å; L22-F395 HydrophobicContact CD2-CZ 4.35Å; L22-F395 HydrophobicContact CG-CZ 4.38Å
23I94.4Very high89.8Confident1 Ų129.1 Ų29.11%0.00517%0.165CC..Hα-helixtrans-70-33.1-179.3-15565.5000111.4F9 H11 L14 A19 E20 R21 A26 A27 M39 D105F9-I23 HydrophobicContact CD1-CD1 3.52Å; F9-I23 HydrophobicContact CD1-CG1 3.61Å; F9-I23 HydrophobicContact CE1-CD1 3.75Å; F9-I23 HydrophobicContact CE1-CG1 4.16Å; H11-I23 HydrophobicContact CB-CG2 4.38Å; L14-I23 HydrophobicContact CD1-CG2 4.28Å; A19-I23 PolarHBondContact O-N 3.02Å; E20-I23 WeakPolarHBondContact O-CG2 3.34Å; E20-I23 PolarHBondContact O-N 3.42Å; R21-I23 PolarHBondContact O-N 3.29Å; I23-A26 PolarHBondContact O-N 3.26Å; I23-A27 PolarHBondContact O-N 2.89Å; I23-M39 HydrophobicContact CG2-CE 4.11Å; I23-D105 HydrophobicContact CD1-CB 4.07Å
24V93.9Very high89.8Confident0 Ų029.2 Ų29.20%018%0.178CC..Hα-helixtrans-64.5-46.1171.1169.60000110.3L14 E20 R21 L22 A26 A27 V28 M39 F50 E52 T53 L58L14-V24 HydrophobicContact CD1-CG2 4.17Å; E20-V24 WeakPolarHBondContact O-CB 3.26Å; E20-V24 VanDerWaalsContact O-CG2 3.22Å; E20-V24 WeakPolarHBondContact O-CG2 3.41Å; E20-V24 PolarHBondContact O-N 3.45Å; R21-V24 PolarHBondContact O-N 3.37Å; L22-V24 VanDerWaalsContact C-N 3.31Å; L22-V24 PolarHBondContact O-N 3.32Å; V24-A26 VanDerWaalsContact C-N 3.26Å; V24-A26 PolarHBondContact O-N 2.96Å; V24-A27 PolarHBondContact O-N 3.41Å; V24-V28 HydrophobicContact CG1-CG2 4.26Å; V24-V28 WeakPolarHBondContact O-CG2 3.4Å; V24-V28 PolarHBondContact O-N 3.28Å; V24-M39 HydrophobicContact CG2-CE 4.22Å; V24-F50 HydrophobicContact CG1-CB 4.47Å; V24-F50 HydrophobicContact CG2-CD2 4.12Å; V24-E52 HydrophobicContact CG1-CB 4.18Å; V24-T53 HydrophobicContact CG1-CG2 4.34Å; V24-T53 HydrophobicContact CG2-CG2 3.65Å; V24-L58 HydrophobicContact CG1-CD1 4.05Å
25D93.7Very high90Very high21 Ų2130 Ų3011%0.11218%0.181CC..Hα-helixtrans-56.7-41.8174.1-73.9-42.9000111.3R21 L22 A27 V28 S29 F395R21-D25 WeakPolarHBondContact CG-OD2 3.32Å; R21-D25 IonicContact CZ-OD1 2.65Å; R21-D25 VanDerWaalsContact CZ-OD1 3.26Å; R21-D25 IonicContact CZ-OD2 3.48Å; R21-D25 VanDerWaalsContact NE-CG 3.31Å; R21-D25 IonicContact NE-OD1 3.74Å; R21-D25 PolarHBondContact NE-OD1 3.35Å; R21-D25 VanDerWaalsContact NE-OD1 3.14Å; R21-D25 IonicContact NE-OD2 3.4Å; R21-D25 PolarHBondContact NE-OD2 3.47Å; R21-D25 IonicContact NH2-OD1 2.98Å; R21-D25 PolarHBondContact NH2-OD1 3.05Å; R21-D25 IonicContact NH2-OD2 2.8Å; R21-D25 PolarHBondContact O-N 3.32Å; R21-D25 VanDerWaalsContact O-OD2 3.08Å; L22-D25 WeakPolarHBondContact O-CB 3.27Å; L22-D25 PolarHBondContact O-N 3.04Å; D25-A27 PolarHBondContact O-N 3.21Å; D25-V28 PolarHBondContact O-N 2.78Å; D25-S29 WeakPolarHBondContact O-CB 3.15Å; D25-S29 PolarHBondContact O-N 2.76Å; D25-S29 PolarHBondContact O-OG 3.35Å; D25-F395 HydrophobicContact CB-CD1 4.24Å; D25-F395 HydrophobicContact CB-CE1 3.8Å; D25-F395 HydrophobicContact CB-CZ 4.45Å
26A95.3Very high90.5Very high1 Ų132.7 Ų32.71%0.00819%0.192CC..Hα-helixtrans-64.2-42.8179.200000111.6F9 L22 I23 V24 L30 F395 M399F9-A26 HydrophobicContact CE1-CB 3.76Å; F9-A26 HydrophobicContact CZ-CB 4.02Å; L22-A26 PolarHBondContact O-N 3.15Å; I23-A26 PolarHBondContact O-N 3.26Å; V24-A26 VanDerWaalsContact C-N 3.26Å; V24-A26 PolarHBondContact O-N 2.96Å; A26-L30 WeakPolarHBondContact O-CG 3.42Å; A26-L30 PolarHBondContact O-N 3.36Å; A26-L30 VanDerWaalsContact O-N 3.13Å; A26-F395 HydrophobicContact CB-CE1 3.99Å; A26-F395 HydrophobicContact CB-CZ 4.12Å; A26-M399 HydrophobicContact CB-CE 3.8Å; A26-M399 HydrophobicContact CB-SD 4.06Å
27A96.2Very high91.4Very high0 Ų028.8 Ų28.80%017%0.172CC..Hα-helixtrans-65.3-44.1175.500000111.9F9 I23 V24 D25 L30 K31 V37 M39 L58F9-A27 HydrophobicContact CD2-CB 4.03Å; F9-A27 HydrophobicContact CE2-CB 3.82Å; F9-A27 HydrophobicContact CG-CB 4.47Å; F9-A27 HydrophobicContact CZ-CB 4.08Å; I23-A27 PolarHBondContact O-N 2.89Å; V24-A27 PolarHBondContact O-N 3.41Å; D25-A27 PolarHBondContact O-N 3.21Å; A27-L30 PolarHBondContact O-N 2.66Å; A27-K31 WeakPolarHBondContact O-CB 3.12Å; A27-K31 PolarHBondContact O-N 3.48Å; A27-V37 HydrophobicContact CB-CG1 3.88Å; A27-M39 HydrophobicContact CB-CG 4.3Å; A27-M39 HydrophobicContact CB-SD 4Å; A27-L58 HydrophobicContact CB-CD1 3.72Å; A27-L58 HydrophobicContact CB-CD2 3.93Å; A27-L58 HydrophobicContact CB-CG 4.47Å
28V94.3Very high92.2Very high12 Ų1229.7 Ų29.77%0.07317%0.173CC..Hα-helixtrans-60.3-48.3175.2171.20000110.6V24 D25 L30 K31 K32 E52 Y57 L58V24-V28 HydrophobicContact CG1-CG2 4.26Å; V24-V28 WeakPolarHBondContact O-CG2 3.4Å; V24-V28 PolarHBondContact O-N 3.28Å; D25-V28 PolarHBondContact O-N 2.78Å; V28-L30 PolarHBondContact O-N 3.01Å; V28-K31 PolarHBondContact O-N 3.45Å; V28-K32 HydrophobicContact CG1-CD 4Å; V28-K32 HydrophobicContact CG1-CG 4.18Å; V28-K32 WeakPolarHBondContact O-CB 3.28Å; V28-K32 WeakPolarHBondContact O-CG 3.42Å; V28-K32 PolarHBondContact O-N 3.47Å; V28-E52 HydrophobicContact CG2-CB 4.17Å; V28-E52 HydrophobicContact CG2-CG 4.03Å; V28-Y57 HydrophobicContact CB-CE1 4.5Å; V28-Y57 HydrophobicContact CG1-CE1 4.18Å; V28-Y57 HydrophobicContact CG2-CD1 4.45Å; V28-Y57 HydrophobicContact CG2-CE1 4.11Å; V28-L58 HydrophobicContact CG2-CD1 3.82Å; V28-L58 HydrophobicContact CG2-CG 4.38Å
29S93Very high92.9Very high3 Ų326.8 Ų26.82%0.02114%0.142CC..Hα-helixtrans-56.6-46.9178.7-74.80000112.1D25 K31 K32 L33 T396D25-S29 WeakPolarHBondContact O-CB 3.15Å; D25-S29 PolarHBondContact O-N 2.76Å; D25-S29 PolarHBondContact O-OG 3.35Å; S29-K31 VanDerWaalsContact C-N 3.34Å; S29-K31 PolarHBondContact O-N 2.84Å; S29-K32 PolarHBondContact O-N 2.89Å; S29-L33 VanDerWaalsContact O-CG 3.29Å; S29-L33 WeakPolarHBondContact O-CG 3.31Å; S29-L33 PolarHBondContact O-N 2.89Å; S29-T396 WeakPolarHBondContact CB-OG1 3.32Å; S29-T396 PolarHBondContact OG-OG1 3.39Å
30L94.8Very high93.5Very high0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-68.2-34.7178.7-67.7177.6000112.4I7 F9 A26 A27 V28 L33 G34 H35 V37 F103 M399 C403I7-L30 HydrophobicContact CD1-CB 4.31Å; I7-L30 HydrophobicContact CD1-CD1 3.74Å; I7-L30 HydrophobicContact CD1-CD2 4.24Å; I7-L30 HydrophobicContact CD1-CG 4.35Å; I7-L30 HydrophobicContact CG2-CD1 3.92Å; F9-L30 HydrophobicContact CE2-CD1 3.85Å; F9-L30 HydrophobicContact CZ-CD1 3.64Å; A26-L30 WeakPolarHBondContact O-CG 3.42Å; A26-L30 PolarHBondContact O-N 3.36Å; A26-L30 VanDerWaalsContact O-N 3.13Å; A27-L30 PolarHBondContact O-N 2.66Å; V28-L30 PolarHBondContact O-N 3.01Å; L30-L33 HydrophobicContact CD2-CD1 4.27Å; L30-L33 PolarHBondContact O-N 2.97Å; L30-G34 PolarHBondContact O-N 2.88Å; L30-H35 WeakPolarHBondContact O-CB 3.4Å; L30-H35 PolarHBondContact O-N 3.34Å; L30-H35 VanDerWaalsContact O-N 3.12Å; L30-V37 HydrophobicContact CB-CG2 3.8Å; L30-F103 HydrophobicContact CD1-CD2 4.31Å; L30-F103 HydrophobicContact CD1-CE2 3.64Å; L30-F103 HydrophobicContact CD1-CZ 4.16Å; L30-M399 HydrophobicContact CD1-CE 3.52Å; L30-M399 HydrophobicContact CD2-CB 3.9Å; L30-M399 HydrophobicContact CD2-CE 4.04Å; L30-M399 HydrophobicContact CG-CB 4.31Å; L30-M399 HydrophobicContact CG-CE 3.67Å; L30-C403 WeakPolarHBondContact CD2-SG 3.34Å
31K93.4Very high93.8Very high70 Ų7024.6 Ų24.630%0.30413%0.13SC..Hα-helixtrans-67.7-42.3173.7-172.1163.2-175.7159.50111.8A27 V28 S29 L33 G34 V37 Y57 L58A27-K31 WeakPolarHBondContact O-CB 3.12Å; A27-K31 PolarHBondContact O-N 3.48Å; V28-K31 PolarHBondContact O-N 3.45Å; S29-K31 VanDerWaalsContact C-N 3.34Å; S29-K31 PolarHBondContact O-N 2.84Å; K31-L33 PolarHBondContact O-N 3.37Å; K31-G34 WeakPolarHBondContact O-CA 3.46Å; K31-G34 PolarHBondContact O-N 3.32Å; K31-V37 HydrophobicContact CB-CG2 4.16Å; K31-Y57 HydrophobicContact CD-CD1 4.44Å; K31-Y57 HydrophobicContact CD-CE1 4.05Å; K31-Y57 HydrophobicContact CD-CE2 4.37Å; K31-Y57 VanDerWaalsContact CD-O 3.25Å; K31-Y57 WeakPolarHBondContact CD-O 3.38Å; K31-Y57 VanDerWaalsContact CE-O 3.28Å; K31-Y57 WeakPolarHBondContact CE-O 3.45Å; K31-Y57 HydrophobicContact CG-CE1 4.48Å; K31-Y57 PolarHBondContact NZ-O 3.47Å; K31-L58 HydrophobicContact CB-CD2 4.4Å; K31-L58 HydrophobicContact CD-CD2 4.03Å
32K90.4Very high94Very high109 Ų10922.4 Ų22.447%0.47412%0.122SC..Hα-helixtrans-58-33.4172.5-76.1179.9177178.50111.7V28 S29 G34 E195V28-K32 HydrophobicContact CG1-CD 4Å; V28-K32 HydrophobicContact CG1-CG 4.18Å; V28-K32 WeakPolarHBondContact O-CB 3.28Å; V28-K32 WeakPolarHBondContact O-CG 3.42Å; V28-K32 PolarHBondContact O-N 3.47Å; S29-K32 PolarHBondContact O-N 2.89Å; K32-G34 PolarHBondContact O-N 2.94Å; K32-E195 IonicContact NZ-OE1 3.96Å; K32-E195 PolarHBondContact NZ-OE1 3.47Å
33L90.3Very high94.1Very high66 Ų6624 Ų2435%0.34613%0.129SC..THydrogen-bonded Turntrans-75.3-2.1174.2-68.5167.1000114.2S29 L30 K31 T396 A400S29-L33 VanDerWaalsContact O-CG 3.29Å; S29-L33 WeakPolarHBondContact O-CG 3.31Å; S29-L33 PolarHBondContact O-N 2.89Å; L30-L33 HydrophobicContact CD2-CD1 4.27Å; L30-L33 PolarHBondContact O-N 2.97Å; K31-L33 PolarHBondContact O-N 3.37Å; L33-T396 HydrophobicContact CD1-CG2 3.99Å; L33-T396 HydrophobicContact CD2-CG2 4.05Å; L33-T396 HydrophobicContact CG-CG2 3.88Å; L33-A400 HydrophobicContact CD1-CB 3.67Å; L33-A400 HydrophobicContact CD2-CB 4.24Å
34G91.2Very high93.9Very high49 Ų4925.9 Ų25.951%0.50514%0.138SC..THydrogen-bonded Turntrans8719177.100000114.6L30 K31 K32L30-G34 PolarHBondContact O-N 2.88Å; K31-G34 WeakPolarHBondContact O-CA 3.46Å; K31-G34 PolarHBondContact O-N 3.32Å; K32-G34 PolarHBondContact O-N 2.94Å
35H93.7Very high93.6Very high18 Ų1827.5 Ų27.58%0.08315%0.149CC..  trans-87.2156173.9-60.2-47000112.2L5 I7 L30 V37L5-H35 PolarHBondContact N-ND1 3.27Å; I7-H35 HydrophobicContact CD1-CB 3.76Å; I7-H35 HydrophobicContact CG1-CB 4.38Å; L30-H35 WeakPolarHBondContact O-CB 3.4Å; L30-H35 PolarHBondContact O-N 3.34Å; L30-H35 VanDerWaalsContact O-N 3.12Å; H35-V37 HydrophobicContact CB-CG2 4.46Å; H35-V37 PolarHBondContact O-N 2.89Å
36N94.3Very high93.1Very high68 Ų6830.3 Ų30.336%0.36417%0.17SC..EExtended strand (participates in β ladder)trans-85.3107.3173.9-169.6-38.1000109.4E4 L5 K6 I7E4-N36 HydrophobicContact CG-CB 4.31Å; E4-N36 WeakPolarHBondContact OE1-CB 3.43Å; L5-N36 PolarHBondContact O-N 3.02Å; K6-N36 CarbonylContact C-O 3.59Å; K6-N36 WeakPolarHBondContact CA-O 3.39Å; K6-N36 HydrophobicContact CG-CB 4.12Å; I7-N36 PolarHBondContact N-O 3.31Å
37V95.6Very high92.6Very high4 Ų435.4 Ų35.42%0.02421%0.205CC..EExtended strand (participates in β ladder)trans-110.1130.1-173.5-179.30000110.4I7 F9 A27 L30 K31 H35 L58 P59I7-V37 WeakPolarHBondContact O-CA 3.32Å; F9-V37 HydrophobicContact CD2-CG1 3.67Å; F9-V37 HydrophobicContact CE2-CG1 3.63Å; A27-V37 HydrophobicContact CB-CG1 3.88Å; L30-V37 HydrophobicContact CB-CG2 3.8Å; K31-V37 HydrophobicContact CB-CG2 4.16Å; H35-V37 HydrophobicContact CB-CG2 4.46Å; H35-V37 PolarHBondContact O-N 2.89Å; V37-L58 HydrophobicContact CG1-CD2 4.43Å; V37-P59 WeakPolarHBondContact O-CD 3.47Å; V37-P59 WeakPolarHBondContact O-CG 3.48Å
38Q94.8Very high91.9Very high36 Ų3640 Ų4017%0.16823%0.227CC..EExtended strand (participates in β ladder)trans-126.1126.8174.8-178.464.265.400110.4I7 A8 F9 F40 P59 F99I7-Q38 PolarHBondContact O-N 2.97Å; A8-Q38 CarbonylContact C-O 3.46Å; A8-Q38 VanDerWaalsContact CA-O 3.31Å; A8-Q38 WeakPolarHBondContact CA-O 3.3Å; F9-Q38 PolarHBondContact N-O 3.16Å; Q38-F40 HydrophobicContact CB-CE2 4.24Å; Q38-F40 HydrophobicContact CG-CD2 4.25Å; Q38-F40 HydrophobicContact CG-CE1 4.21Å; Q38-F40 HydrophobicContact CG-CE2 3.54Å; Q38-F40 HydrophobicContact CG-CZ 3.53Å; Q38-P59 PolarHBondContact NE2-O 3.41Å; Q38-F99 HydrophobicContact CB-CE1 4.1Å; Q38-F99 HydrophobicContact CB-CZ 4.16Å; Q38-F99 HydrophobicContact CG-CZ 4.35Å
39M96Very high91.5Very high2 Ų240.3 Ų40.31%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-98.6138.5173.7-60.2-171.776.100110.9F9 L14 I23 V24 A27 T53 L58 P59 V60 V61F9-M39 HydrophobicContact CB-CG 4.15Å; L14-M39 HydrophobicContact CD1-CE 4.06Å; L14-M39 HydrophobicContact CD2-CE 4.12Å; I23-M39 HydrophobicContact CG2-CE 4.11Å; V24-M39 HydrophobicContact CG2-CE 4.22Å; A27-M39 HydrophobicContact CB-CG 4.3Å; A27-M39 HydrophobicContact CB-SD 4Å; M39-T53 HydrophobicContact SD-CG2 4.48Å; M39-L58 HydrophobicContact SD-CB 4.13Å; M39-L58 HydrophobicContact SD-CD1 3.79Å; M39-P59 PolarHBondContact N-O 3.35Å; M39-V60 HydrophobicContact CB-CG2 4.21Å; M39-V60 WeakPolarHBondContact O-CA 3.45Å; M39-V60 HydrophobicContact SD-CG2 4.5Å; M39-V61 PolarHBondContact O-N 3.18Å
40F96.3Very high91.1Very high1 Ų141.6 Ų41.60%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-121.4131.3172.1-61.9-83.4000109A8 F9 L10 H11 Q38 V61 I63 M87 V91 Y95 F99A8-F40 HydrophobicContact CB-CD2 4.25Å; A8-F40 HydrophobicContact CB-CE2 4Å; F9-F40 PolarHBondContact O-N 3Å; L10-F40 HydrophobicContact CD1-CD2 4.14Å; H11-F40 PolarHBondContact N-O 3.13Å; Q38-F40 HydrophobicContact CB-CE2 4.24Å; Q38-F40 HydrophobicContact CG-CD2 4.25Å; Q38-F40 HydrophobicContact CG-CE1 4.21Å; Q38-F40 HydrophobicContact CG-CE2 3.54Å; Q38-F40 HydrophobicContact CG-CZ 3.53Å; F40-V61 WeakPolarHBondContact CA-O 3.48Å; F40-V61 HydrophobicContact CD1-CB 3.76Å; F40-V61 HydrophobicContact CD1-CG1 4.04Å; F40-V61 HydrophobicContact CE1-CB 3.98Å; F40-V61 HydrophobicContact CE1-CG1 4.18Å; F40-V61 HydrophobicContact CE1-CG2 4.34Å; F40-I63 HydrophobicContact CD1-CD1 3.72Å; F40-I63 HydrophobicContact CE1-CD1 4.33Å; F40-M87 VanDerWaalsContact C-SD 3.57Å; F40-M87 HydrophobicContact CB-CG 4.4Å; F40-M87 HydrophobicContact CB-SD 3.92Å; F40-V91 HydrophobicContact CB-CG2 4.02Å; F40-V91 HydrophobicContact CD1-CG2 3.57Å; F40-V91 HydrophobicContact CD2-CG1 4.31Å; F40-V91 HydrophobicContact CD2-CG2 3.99Å; F40-V91 HydrophobicContact CE1-CG2 3.94Å; F40-V91 HydrophobicContact CE2-CG1 4.14Å; F40-V91 HydrophobicContact CE2-CG2 4.33Å; F40-V91 HydrophobicContact CG-CG2 3.58Å; F40-V91 HydrophobicContact CZ-CG1 4.39Å; F40-V91 HydrophobicContact CZ-CG2 4.3Å; F40-Y95 AromaticContact CE1-CD1 3.99Å; F40-Y95 HydrophobicContact CE1-CD1 3.99Å; F40-Y95 HydrophobicContact CE1-CD2 4.04Å; F40-Y95 HydrophobicContact CE1-CE1 4.11Å; F40-Y95 HydrophobicContact CE1-CE2 4.16Å; F40-Y95 AromaticContact CE1-CG 3.95Å; F40-Y95 HydrophobicContact CE1-CG 3.95Å; F40-Y95 AromaticContact CZ-CD1 3.8Å; F40-Y95 HydrophobicContact CZ-CD1 3.8Å; F40-Y95 HydrophobicContact CZ-CD2 4.28Å; F40-Y95 HydrophobicContact CZ-CE1 4.33Å; F40-Y95 AromaticContact CZ-CG 3.77Å; F40-Y95 HydrophobicContact CZ-CG 3.77Å; F40-F99 AromaticContact CE2-CE2 3.79Å; F40-F99 HydrophobicContact CE2-CE2 3.79Å; F40-F99 AromaticContact CE2-CZ 3.69Å; F40-F99 HydrophobicContact CE2-CZ 3.69Å; F40-F99 HydrophobicContact CZ-CE2 4.05Å; F40-F99 AromaticContact CZ-CZ 3.91Å; F40-F99 HydrophobicContact CZ-CZ 3.91Å
41T96.3Very high90.7Very high1 Ų145.8 Ų45.81%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-141.4160.2178.3-169.40000112.7H11 D13 L14 H43 H44 V60 V61 V62 I63 M87H11-T41 WeakPolarHBondContact O-CA 3.48Å; H11-T41 VanDerWaalsContact O-CB 3.24Å; H11-T41 WeakPolarHBondContact O-CB 3.32Å; H11-T41 PolarHBondContact O-OG1 3.47Å; D13-T41 PolarHBondContact N-OG1 3.15Å; L14-T41 HydrophobicContact CB-CG2 3.95Å; L14-T41 PolarHBondContact N-OG1 3.38Å; L14-T41 VanDerWaalsContact N-OG1 3.09Å; T41-H43 WeakPolarHBondContact CG2-O 3.42Å; T41-H43 PolarHBondContact OG1-O 3.17Å; T41-H44 HydrophobicContact CG2-CB 3.97Å; T41-V60 HydrophobicContact CG2-CG1 3.74Å; T41-V61 PolarHBondContact N-O 3.45Å; T41-V62 HydrophobicContact CG2-CG2 4.12Å; T41-V62 CarbonylContact O-C 3.53Å; T41-V62 VanDerWaalsContact O-CA 3.29Å; T41-V62 WeakPolarHBondContact O-CA 3.31Å; T41-I63 PolarHBondContact O-N 3.32Å; T41-M87 VanDerWaalsContact CA-SD 3.53Å
42T94.8Very high90.5Very high2 Ų244.5 Ų44.51%0.01226%0.257CS..SBendtrans-82.6-25.9178.852.30000112.7D13 I63 D65 R83 M84 M87D13-T42 PolarHBondContact N-OG1 2.98Å; D13-T42 PolarHBondContact OD1-OG1 3.21Å; T42-I63 WeakPolarHBondContact CA-O 3.36Å; T42-D65 VanDerWaalsContact O-CA 3.27Å; T42-D65 WeakPolarHBondContact O-CA 3.46Å; T42-D65 PolarHBondContact O-N 2.98Å; T42-R83 HydrophobicContact CG2-CB 3.76Å; T42-R83 PolarHBondContact O-NH2 3.46Å; T42-M84 HydrophobicContact CG2-SD 4.14Å; T42-M87 HydrophobicContact CG2-CB 4.12Å; T42-M87 HydrophobicContact CG2-CE 4.49Å; T42-M87 HydrophobicContact CG2-SD 4.04Å
43H93.1Very high90.6Very high39 Ų3939.7 Ų39.718%0.18124%0.237CC..  trans-150.6144.917618076.5000110D13 L14 T41 D65 R69D13-H43 CarbonylContact C-O 3.59Å; D13-H43 HydrophobicContact CB-CB 4.16Å; D13-H43 WeakPolarHBondContact OD1-CB 3.39Å; D13-H43 PolarHBondContact OD1-N 2.68Å; L14-H43 PolarHBondContact N-O 3.41Å; T41-H43 WeakPolarHBondContact CG2-O 3.42Å; T41-H43 PolarHBondContact OG1-O 3.17Å; H43-D65 WeakPolarHBondContact CB-OD1 3.37Å; H43-D65 IonicContact CE1-OD1 3.54Å; H43-D65 IonicContact CG-OD1 3.05Å; H43-D65 IonicContact ND1-OD1 3.62Å; H43-D65 PolarHBondContact ND1-OD1 2.97Å; H43-D65 IonicContact ND1-OD2 2.84Å; H43-D65 PolarHBondContact ND1-OD2 3.42Å; H43-R69 PolarHBondContact CD2-NH2 3.28Å; H43-R69 PolarHBondContact CE1-NH2 3.33Å; H43-R69 PolarHBondContact ND1-NH2 2.92Å; H43-R69 PolarHBondContact NE2-NH2 2.91Å
44H91.5Very high90.4Very high42 Ų4242.9 Ų42.919%0.19425%0.248CC..BIsolated β-bridgetrans-149.2131.4170.5-179.5-110.6000108.7L14 T41 C49 T53 V60 V62L14-H44 PolarHBondContact O-CD2 3.33Å; T41-H44 HydrophobicContact CG2-CB 3.97Å; H44-C49 VanDerWaalsContact NE2-CB 3.28Å; H44-C49 WeakPolarHBondContact NE2-CB 3.48Å; H44-T53 PolarHBondContact CE1-O 3.44Å; H44-T53 VanDerWaalsContact CE1-O 3.28Å; H44-T53 PolarHBondContact NE2-OG1 2.99Å; H44-V60 HydrophobicContact CB-CG1 4.43Å; H44-V62 HydrophobicContact CB-CG2 3.63Å
45S87.6Confident89.9Confident34 Ų3445.8 Ų45.824%0.23825%0.252CS..  trans-116.6125.3178.61800000110.7S47 H48 C49S45-S47 PolarHBondContact O-N 3.49Å; S45-S47 VanDerWaalsContact O-N 3.16Å; S45-S47 PolarHBondContact OG-OG 2.95Å; S45-H48 CarbonylContact O-C 3.55Å; S45-H48 VanDerWaalsContact O-C 3.31Å; S45-H48 PolarHBondContact O-N 3.12Å; S45-C49 WeakPolarHBondContact O-CB 3.33Å; S45-C49 PolarHBondContact O-SG 2.95Å
46S83.2Confident89.3Confident80 Ų8047.4 Ų47.456%0.55927%0.274SS*.THydrogen-bonded Turntrans-66.3-15.5179.661.80000114.4K54S46-K54 WeakPolarHBondContact O-CE 3.49Å; S46-K54 PolarHBondContact O-NZ 3.39Å
47S82.8Confident89Confident107 Ų10748.3 Ų48.375%0.74827%0.272SS*.THydrogen-bonded Turntrans-89.9-15.4173.761.30000113.7S45S45-S47 PolarHBondContact O-N 3.49Å; S45-S47 VanDerWaalsContact O-N 3.16Å; S45-S47 PolarHBondContact OG-OG 2.95Å
48H82.3Confident88.8Confident98 Ų9848.2 Ų48.245%0.45427%0.272SS..SBendtrans-144.166.8-173.9-170.1-84.6000110.6I16 S45I16-H48 VanDerWaalsContact CB-CE1 3.49Å; I16-H48 WeakPolarHBondContact CB-CE1 3.45Å; I16-H48 PolarHBondContact N-CE1 3.31Å; I16-H48 VanDerWaalsContact N-CE1 3.35Å; I16-H48 PolarHBondContact N-ND1 2.96Å; S45-H48 CarbonylContact O-C 3.55Å; S45-H48 VanDerWaalsContact O-C 3.31Å; S45-H48 PolarHBondContact O-N 3.12Å
49C85.2Confident88.7Confident18 Ų1848.7 Ų48.712%0.12228%0.278CS..SBendtrans-150.6166.1179.958.20000111.5H44 S45H44-C49 VanDerWaalsContact NE2-CB 3.28Å; H44-C49 WeakPolarHBondContact NE2-CB 3.48Å; S45-C49 WeakPolarHBondContact O-CB 3.33Å; S45-C49 PolarHBondContact O-SG 2.95Å
50F86.3Confident88.6Confident30 Ų3050.3 Ų50.313%0.13229%0.288CS..  trans-73.8144.6174.4-68.4-68.5000112I16 E20 R21 V24 E52 T53 K54I16-F50 HydrophobicContact CG2-CE1 4.3Å; I16-F50 HydrophobicContact CG2-CZ 4.11Å; E20-F50 HydrophobicContact CB-CD2 4.47Å; E20-F50 HydrophobicContact CB-CE2 3.73Å; R21-F50 HydrophobicContact CB-CE1 4.33Å; R21-F50 HydrophobicContact CB-CE2 3.99Å; R21-F50 HydrophobicContact CB-CZ 3.64Å; R21-F50 HydrophobicContact CG-CZ 4.31Å; V24-F50 HydrophobicContact CG1-CB 4.47Å; V24-F50 HydrophobicContact CG2-CD2 4.12Å; F50-E52 WeakPolarHBondContact CB-OE2 3.19Å; F50-E52 PolarHBondContact O-N 2.91Å; F50-E52 VanDerWaalsContact O-N 3.16Å; F50-T53 PolarHBondContact O-N 2.68Å; F50-T53 PolarHBondContact O-OG1 3.32Å; F50-K54 PolarHBondContact O-N 3.34Å
51P86.2Confident88.5Confident88 Ų8852.1 Ų52.157%0.57130%0.299SS*.G310 helixtrans-49.9-42.1-178.3-28.535.1000114.2T53 K54 D55P51-T53 PolarHBondContact O-N 3.32Å; P51-T53 VanDerWaalsContact O-N 3.12Å; P51-K54 WeakPolarHBondContact O-CB 3.47Å; P51-K54 PolarHBondContact O-N 2.96Å; P51-D55 VanDerWaalsContact O-CG 3.3Å; P51-D55 PolarHBondContact O-N 2.9Å; P51-D55 VanDerWaalsContact O-N 3.1Å
52E89.7Confident88.4Confident43 Ų4354.9 Ų54.920%0.20132%0.316CS..G310 helixtrans-65.1-17.9-176.9-5595139.200113.3R21 V24 V28 F50 Y57 L58R21-E52 IonicContact CZ-OE1 2.73Å; R21-E52 VanDerWaalsContact CZ-OE1 3.3Å; R21-E52 IonicContact NH1-OE1 3.9Å; R21-E52 PolarHBondContact NH1-OE1 3.01Å; R21-E52 IonicContact NH1-OE2 2.94Å; R21-E52 PolarHBondContact NH1-OE2 2.88Å; R21-E52 IonicContact NH2-OE1 3.18Å; R21-E52 PolarHBondContact NH2-OE1 3.09Å; V24-E52 HydrophobicContact CG1-CB 4.18Å; V28-E52 HydrophobicContact CG2-CB 4.17Å; V28-E52 HydrophobicContact CG2-CG 4.03Å; F50-E52 WeakPolarHBondContact CB-OE2 3.19Å; F50-E52 PolarHBondContact O-N 2.91Å; F50-E52 VanDerWaalsContact O-N 3.16Å; E52-Y57 HydrophobicContact CB-CD1 4.35Å; E52-L58 HydrophobicContact CB-CD1 4.26Å; E52-L58 WeakPolarHBondContact O-CB 3.49Å; E52-L58 PolarHBondContact O-N 3.42Å
53T90.7Very high88.4Confident8 Ų855.4 Ų55.45%0.04932%0.318CS..G310 helixtrans-99-7.117869.40000112.4L14 V24 M39 H44 F50 P51 V60L14-T53 HydrophobicContact CD2-CG2 3.83Å; V24-T53 HydrophobicContact CG1-CG2 4.34Å; V24-T53 HydrophobicContact CG2-CG2 3.65Å; M39-T53 HydrophobicContact SD-CG2 4.48Å; H44-T53 PolarHBondContact CE1-O 3.44Å; H44-T53 VanDerWaalsContact CE1-O 3.28Å; H44-T53 PolarHBondContact NE2-OG1 2.99Å; F50-T53 PolarHBondContact O-N 2.68Å; F50-T53 PolarHBondContact O-OG1 3.32Å; P51-T53 PolarHBondContact O-N 3.32Å; P51-T53 VanDerWaalsContact O-N 3.12Å; T53-V60 HydrophobicContact CG2-CG2 4.39Å
54K87.8Confident88.3Confident133 Ų13353.9 Ų53.958%0.57831%0.313SS*.THydrogen-bonded Turntrans-104.6-38.7-176.3-176177.4178.6166.10112.4S46 F50 P51 G56S46-K54 WeakPolarHBondContact O-CE 3.49Å; S46-K54 PolarHBondContact O-NZ 3.39Å; F50-K54 PolarHBondContact O-N 3.34Å; P51-K54 WeakPolarHBondContact O-CB 3.47Å; P51-K54 PolarHBondContact O-N 2.96Å; K54-G56 VanDerWaalsContact C-N 3.25Å; K54-G56 PolarHBondContact O-N 3.46Å
55D80.4Confident88.3Confident109 Ų10955.4 Ų55.458%0.58332%0.323SS*.SBendtrans-81.1-0.5-175.265.7-2.9000114.1P51 Y57P51-D55 VanDerWaalsContact O-CG 3.3Å; P51-D55 PolarHBondContact O-N 2.9Å; P51-D55 VanDerWaalsContact O-N 3.1Å; D55-Y57 VanDerWaalsContact C-N 3.26Å; D55-Y57 PolarHBondContact O-N 2.97Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.44Å; D55-Y57 PolarHBondContact OD1-N 3.5Å
56G79.6Confident88.5Confident53 Ų5362.4 Ų62.455%0.54634%0.344SS..SBendtrans79.93.2-175.700000113.9K54 L58K54-G56 VanDerWaalsContact C-N 3.25Å; K54-G56 PolarHBondContact O-N 3.46Å; G56-L58 VanDerWaalsContact C-N 3.31Å; G56-L58 PolarHBondContact O-N 3.2Å
57Y88.8Confident89Confident86 Ų8659.6 Ų59.634%0.33732%0.323SS..SBendtrans-61-41173.3-177.6-99.4000110.8V28 K31 E52 D55V28-Y57 HydrophobicContact CB-CE1 4.5Å; V28-Y57 HydrophobicContact CG1-CE1 4.18Å; V28-Y57 HydrophobicContact CG2-CD1 4.45Å; V28-Y57 HydrophobicContact CG2-CE1 4.11Å; K31-Y57 HydrophobicContact CD-CD1 4.44Å; K31-Y57 HydrophobicContact CD-CE1 4.05Å; K31-Y57 HydrophobicContact CD-CE2 4.37Å; K31-Y57 VanDerWaalsContact CD-O 3.25Å; K31-Y57 WeakPolarHBondContact CD-O 3.38Å; K31-Y57 VanDerWaalsContact CE-O 3.28Å; K31-Y57 WeakPolarHBondContact CE-O 3.45Å; K31-Y57 HydrophobicContact CG-CE1 4.48Å; K31-Y57 PolarHBondContact NZ-O 3.47Å; E52-Y57 HydrophobicContact CB-CD1 4.35Å; D55-Y57 VanDerWaalsContact C-N 3.26Å; D55-Y57 PolarHBondContact O-N 2.97Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.44Å; D55-Y57 PolarHBondContact OD1-N 3.5Å
58L91.9Very high89.4Confident2 Ų257.6 Ų57.61%0.0131%0.307CS..SBendtrans-107.2117.8164.3-65.5175000109V24 A27 V28 K31 V37 M39 E52 G56 V60V24-L58 HydrophobicContact CG1-CD1 4.05Å; A27-L58 HydrophobicContact CB-CD1 3.72Å; A27-L58 HydrophobicContact CB-CD2 3.93Å; A27-L58 HydrophobicContact CB-CG 4.47Å; V28-L58 HydrophobicContact CG2-CD1 3.82Å; V28-L58 HydrophobicContact CG2-CG 4.38Å; K31-L58 HydrophobicContact CB-CD2 4.4Å; K31-L58 HydrophobicContact CD-CD2 4.03Å; V37-L58 HydrophobicContact CG1-CD2 4.43Å; M39-L58 HydrophobicContact SD-CB 4.13Å; M39-L58 HydrophobicContact SD-CD1 3.79Å; E52-L58 HydrophobicContact CB-CD1 4.26Å; E52-L58 WeakPolarHBondContact O-CB 3.49Å; E52-L58 PolarHBondContact O-N 3.42Å; G56-L58 VanDerWaalsContact C-N 3.31Å; G56-L58 PolarHBondContact O-N 3.2Å; L58-V60 PolarHBondContact O-N 3.04Å
59P91.8Very high89.8Confident46 Ų4659.4 Ų59.430%0.29931%0.31SS..  trans-68.3123.7174.727.9-31.5000108.8V37 Q38 M39V37-P59 WeakPolarHBondContact O-CD 3.47Å; V37-P59 WeakPolarHBondContact O-CG 3.48Å; Q38-P59 PolarHBondContact NE2-O 3.41Å; M39-P59 PolarHBondContact N-O 3.35Å
60V94.4Very high90Very high36 Ų3660.4 Ų60.422%0.21832%0.317CS..EExtended strand (participates in β ladder)trans-113.6129.9178.3-177.50000109.2L14 M39 T41 H44 T53 L58L14-V60 HydrophobicContact CD2-CG1 4.19Å; L14-V60 HydrophobicContact CD2-CG2 4.13Å; M39-V60 HydrophobicContact CB-CG2 4.21Å; M39-V60 WeakPolarHBondContact O-CA 3.45Å; M39-V60 HydrophobicContact SD-CG2 4.5Å; T41-V60 HydrophobicContact CG2-CG1 3.74Å; H44-V60 HydrophobicContact CB-CG1 4.43Å; T53-V60 HydrophobicContact CG2-CG2 4.39Å; L58-V60 PolarHBondContact O-N 3.04Å
61V93.9Very high90.1Very high39 Ų3962.5 Ų62.524%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-114.5120.2173175.50000108.7M39 F40 T41 I63M39-V61 PolarHBondContact O-N 3.18Å; F40-V61 WeakPolarHBondContact CA-O 3.48Å; F40-V61 HydrophobicContact CD1-CB 3.76Å; F40-V61 HydrophobicContact CD1-CG1 4.04Å; F40-V61 HydrophobicContact CE1-CB 3.98Å; F40-V61 HydrophobicContact CE1-CG1 4.18Å; F40-V61 HydrophobicContact CE1-CG2 4.34Å; T41-V61 PolarHBondContact N-O 3.45Å; V61-I63 HydrophobicContact CG1-CD1 4.23Å; V61-I63 HydrophobicContact CG1-CG1 3.95Å
62V94.9Very high90.1Very high60 Ų6068.2 Ų68.236%0.36435%0.346SS..EExtended strand (participates in β ladder)trans-90.5125.3178.4-172.90000109.7T41 H44 D65T41-V62 HydrophobicContact CG2-CG2 4.12Å; T41-V62 CarbonylContact O-C 3.53Å; T41-V62 VanDerWaalsContact O-CA 3.29Å; T41-V62 WeakPolarHBondContact O-CA 3.31Å; H44-V62 HydrophobicContact CB-CG2 3.63Å; V62-D65 HydrophobicContact CG1-CB 3.87Å
63I94.3Very high89.7Confident13 Ų1368.4 Ų68.47%0.06736%0.359CS..  trans-127.8124.4-178.3-58.7172.7000110.6F40 T41 T42 V61 M87 I90 V91F40-I63 HydrophobicContact CD1-CD1 3.72Å; F40-I63 HydrophobicContact CE1-CD1 4.33Å; T41-I63 PolarHBondContact O-N 3.32Å; T42-I63 WeakPolarHBondContact CA-O 3.36Å; V61-I63 HydrophobicContact CG1-CD1 4.23Å; V61-I63 HydrophobicContact CG1-CG1 3.95Å; I63-M87 HydrophobicContact CB-CB 4.28Å; I63-M87 HydrophobicContact CB-CG 4.02Å; I63-M87 HydrophobicContact CD1-CG 4.14Å; I63-M87 HydrophobicContact CG2-CB 4.29Å; I63-M87 HydrophobicContact CG2-CG 4.45Å; I63-I90 HydrophobicContact CD1-CB 4.28Å; I63-I90 HydrophobicContact CD1-CG2 3.82Å; I63-I90 HydrophobicContact CG1-CG2 4.41Å; I63-I90 HydrophobicContact CG2-CB 3.85Å; I63-I90 HydrophobicContact CG2-CG1 3.89Å; I63-I90 HydrophobicContact CG2-CG2 3.94Å; I63-V91 HydrophobicContact CD1-CG2 3.73Å
64G90.9Very high89.5Confident7 Ų777.3 Ų77.37%0.07239%0.392CS..  trans80.722.3173.500000113.8W66 L67 R83G64-W66 PolarHBondContact O-N 2.96Å; G64-W66 VanDerWaalsContact O-N 3.12Å; G64-L67 VanDerWaalsContact O-CB 3.3Å; G64-L67 WeakPolarHBondContact O-CB 3.39Å; G64-L67 PolarHBondContact O-N 3.04Å; G64-R83 PolarHBondContact O-NH1 3.27Å
65D91.6Very high89.5Confident74 Ų7474.3 Ų74.340%0.39638%0.382SS..THydrogen-bonded Turntrans-56.5-32-178.9-161.933.2000113T42 H43 V62 L67 R83T42-D65 VanDerWaalsContact O-CA 3.27Å; T42-D65 WeakPolarHBondContact O-CA 3.46Å; T42-D65 PolarHBondContact O-N 2.98Å; H43-D65 WeakPolarHBondContact CB-OD1 3.37Å; H43-D65 IonicContact CE1-OD1 3.54Å; H43-D65 IonicContact CG-OD1 3.05Å; H43-D65 IonicContact ND1-OD1 3.62Å; H43-D65 PolarHBondContact ND1-OD1 2.97Å; H43-D65 IonicContact ND1-OD2 2.84Å; H43-D65 PolarHBondContact ND1-OD2 3.42Å; V62-D65 HydrophobicContact CG1-CB 3.87Å; D65-L67 PolarHBondContact O-N 3.34Å; D65-R83 PolarHBondContact O-NH1 3.04Å; D65-R83 IonicContact OD1-NH2 3.51Å
66W92.8Very high89.9Confident180 Ų18077.7 Ų77.768%0.68239%0.386SS*.THydrogen-bonded Turntrans-64.3-16.117559.8-96.3000115G64 W86G64-W66 PolarHBondContact O-N 2.96Å; G64-W66 VanDerWaalsContact O-N 3.12Å; W66-W86 AromaticContact CZ2-CE2 3.89Å; W66-W86 AromaticContact CZ2-CZ2 3.95Å; W66-W86 HydrophobicContact CZ2-CZ2 3.95Å; W66-W86 AromaticContact CZ2-NE1 3.95Å
67L93.4Very high90.3Very high22 Ų2276.3 Ų76.312%0.11537%0.369CS..SBendtrans-71.8138.8176.4-73.6167.5000110.4G64 D65 R83 W86G64-L67 VanDerWaalsContact O-CB 3.3Å; G64-L67 WeakPolarHBondContact O-CB 3.39Å; G64-L67 PolarHBondContact O-N 3.04Å; D65-L67 PolarHBondContact O-N 3.34Å; L67-R83 HydrophobicContact CB-CG 3.61Å; L67-R83 HydrophobicContact CD1-CG 3.99Å; L67-R83 HydrophobicContact CG-CG 4.46Å; L67-R83 PolarHBondContact O-NH1 3.15Å; L67-W86 HydrophobicContact CD1-CB 3.74Å; L67-W86 HydrophobicContact CD1-CG 3.8Å
68P91.1Very high90.4Very high64 Ų6475.7 Ų75.742%0.41637%0.371SS..  trans-66.3140.4-176.126.7-34.2000112.2S70 L71 C79P68-S70 VanDerWaalsContact C-N 3.3Å; P68-L71 HydrophobicContact CB-CD2 4.45Å; P68-L71 HydrophobicContact CG-CD2 3.93Å; P68-C79 VanDerWaalsContact O-CB 3.28Å; P68-C79 WeakPolarHBondContact O-CB 3.31Å; P68-C79 PolarHBondContact O-SG 3.07Å
69R89.3Confident90.5Very high136 Ų13675.9 Ų75.951%0.51337%0.373SS..SBendtrans-73.7-21.8170.7-65.4-172.2-171.9171.95.6113.3H43 C79H43-R69 PolarHBondContact CD2-NH2 3.28Å; H43-R69 PolarHBondContact CE1-NH2 3.33Å; H43-R69 PolarHBondContact ND1-NH2 2.92Å; H43-R69 PolarHBondContact NE2-NH2 2.91Å; R69-C79 WeakPolarHBondContact O-CB 3.23Å
70S90.4Very high90.6Very high40 Ų4075 Ų7528%0.2837%0.369SS..  trans-154.9153.2176.672.50000110P68 G73 R74P68-S70 VanDerWaalsContact C-N 3.3Å; S70-G73 WeakPolarHBondContact OG-CA 3.36Å; S70-G73 PolarHBondContact OG-N 3.47Å; S70-R74 WeakPolarHBondContact CA-O 3.35Å; S70-R74 WeakPolarHBondContact CB-O 3.43Å
71L88.3Confident90.6Very high73 Ų7374.2 Ų74.238%0.38236%0.362SS..BIsolated β-bridgetrans-103.1112.9171.2-66.2172.8000108P68 G73 R74 L75P68-L71 HydrophobicContact CB-CD2 4.45Å; P68-L71 HydrophobicContact CG-CD2 3.93Å; L71-G73 PolarHBondContact O-N 3.3Å; L71-R74 PolarHBondContact N-O 2.95Å; L71-R74 CarbonylContact O-C 3.52Å; L71-R74 WeakPolarHBondContact O-CA 3.31Å; L71-R74 PolarHBondContact O-N 3.28Å; L71-L75 HydrophobicContact CB-CD1 4.34Å; L71-L75 HydrophobicContact CD1-CD1 4.08Å
72F86.9Confident90.6Very high209 Ų20975.8 Ų75.892%0.91737%0.372SS*.THydrogen-bonded Turntrans52.739-175.8-50.8-78.2000113.4R74F72-R74 PolarHBondContact O-N 3.31Å
73G81.2Confident90.7Very high46 Ų4673.1 Ų73.147%0.47436%0.355SS..THydrogen-bonded Turntrans74.8-2.3-176.200000115S70 L71S70-G73 WeakPolarHBondContact OG-CA 3.36Å; S70-G73 PolarHBondContact OG-N 3.47Å; L71-G73 PolarHBondContact O-N 3.3Å
74R85Confident90.8Very high196 Ų19672.5 Ų72.574%0.7435%0.352SS*.BIsolated β-bridgetrans-111.2178-179.5-60.8-175178.6-175.70.4111.5S70 L71 F72 R76S70-R74 WeakPolarHBondContact CA-O 3.35Å; S70-R74 WeakPolarHBondContact CB-O 3.43Å; L71-R74 PolarHBondContact N-O 2.95Å; L71-R74 CarbonylContact O-C 3.52Å; L71-R74 WeakPolarHBondContact O-CA 3.31Å; L71-R74 PolarHBondContact O-N 3.28Å; F72-R74 PolarHBondContact O-N 3.31Å; R74-R76 VanDerWaalsContact C-N 3.28Å; R74-R76 PolarHBondContact O-N 3.21Å
75L88.4Confident91.1Very high70 Ų7074.3 Ų74.337%0.36636%0.362SS..  trans59.828.5173.4-55175000115.3L71 A77 L78 C79 Y144L71-L75 HydrophobicContact CB-CD1 4.34Å; L71-L75 HydrophobicContact CD1-CD1 4.08Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 3.26Å; L75-L78 HydrophobicContact CB-CB 4.3Å; L75-L78 HydrophobicContact CD1-CD2 4.4Å; L75-L78 WeakPolarHBondContact O-CB 3.37Å; L75-L78 PolarHBondContact O-N 2.93Å; L75-C79 PolarHBondContact O-N 2.84Å; L75-Y144 HydrophobicContact CD2-CD2 3.67Å; L75-Y144 HydrophobicContact CD2-CE2 3.36Å; L75-Y144 PolarHBondContact O-OH 2.88Å
76R88.7Confident91.3Very high180 Ų18075.6 Ų75.668%0.67936%0.362SS*.Hα-helixtrans-52.4-45.2-177.4-66-176.5-175.9-168.3-0.7113.5R74 L78 C79 A80R74-R76 VanDerWaalsContact C-N 3.28Å; R74-R76 PolarHBondContact O-N 3.21Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 3.45Å; R76-C79 WeakPolarHBondContact O-CB 3.42Å; R76-C79 PolarHBondContact O-N 3.16Å; R76-A80 WeakPolarHBondContact O-CB 3.5Å; R76-A80 PolarHBondContact O-N 3.41Å
77A88.5Confident91.5Very high23 Ų2367 Ų6719%0.1933%0.329CS..Hα-helixtrans-65.5-36.3179.600000112.4L75 A80 Y81 Y144 I148L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 3.26Å; A77-A80 PolarHBondContact O-N 3.35Å; A77-Y81 WeakPolarHBondContact O-CD2 3.17Å; A77-Y81 PolarHBondContact O-N 3.37Å; A77-Y144 HydrophobicContact CB-CE1 4.47Å; A77-Y144 WeakPolarHBondContact CB-OH 3.45Å; A77-Y144 PolarHBondContact N-OH 2.82Å; A77-I148 HydrophobicContact CB-CD1 3.92Å
78L91.6Very high91.6Very high73 Ų7366 Ų6638%0.38232%0.324SS..Hα-helixtrans-67.7-45.6177.317766.1000110.2L75 R76 A80 Y81 V82 Y144L75-L78 HydrophobicContact CB-CB 4.3Å; L75-L78 HydrophobicContact CD1-CD2 4.4Å; L75-L78 WeakPolarHBondContact O-CB 3.37Å; L75-L78 PolarHBondContact O-N 2.93Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 3.45Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 2.75Å; L78-Y81 PolarHBondContact O-N 3.46Å; L78-V82 HydrophobicContact CD1-CG2 4.43Å; L78-V82 WeakPolarHBondContact O-CG2 3.49Å; L78-V82 PolarHBondContact O-N 3.12Å; L78-Y144 HydrophobicContact CB-CE2 4.06Å; L78-Y144 PolarHBondContact N-OH 2.83Å
79C93.6Very high91.7Very high7 Ų766.3 Ų66.35%0.04732%0.321CS..Hα-helixtrans-56.9-44.9174.4-76.50000112P68 R69 L75 R76 Y81 V82 R83P68-C79 VanDerWaalsContact O-CB 3.28Å; P68-C79 WeakPolarHBondContact O-CB 3.31Å; P68-C79 PolarHBondContact O-SG 3.07Å; R69-C79 WeakPolarHBondContact O-CB 3.23Å; L75-C79 PolarHBondContact O-N 2.84Å; R76-C79 WeakPolarHBondContact O-CB 3.42Å; R76-C79 PolarHBondContact O-N 3.16Å; C79-Y81 PolarHBondContact O-N 3.38Å; C79-V82 PolarHBondContact O-N 3.2Å; C79-R83 WeakPolarHBondContact O-CB 3.44Å; C79-R83 VanDerWaalsContact O-CG 3.29Å; C79-R83 WeakPolarHBondContact O-CG 3.33Å; C79-R83 PolarHBondContact O-N 3.06Å
80A92.9Very high92Very high26 Ų2661.8 Ų61.822%0.21531%0.307CS..Hα-helixtrans-62.7-42.1177.100000112R76 A77 L78 R83 M84 I107R76-A80 WeakPolarHBondContact O-CB 3.5Å; R76-A80 PolarHBondContact O-N 3.41Å; A77-A80 PolarHBondContact O-N 3.35Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 2.75Å; A80-R83 PolarHBondContact O-N 3.27Å; A80-M84 WeakPolarHBondContact O-CB 3.33Å; A80-M84 WeakPolarHBondContact O-CG 3.45Å; A80-M84 PolarHBondContact O-N 3.47Å; A80-I107 HydrophobicContact CB-CD1 3.6Å
81Y94.4Very high92.1Very high20 Ų2059.9 Ų59.98%0.07829%0.293CS..Hα-helixtrans-64-44.3175.4-86.8-126000112A77 L78 C79 R83 M84 V85 I107 V109 I148 V151A77-Y81 WeakPolarHBondContact O-CD2 3.17Å; A77-Y81 PolarHBondContact O-N 3.37Å; L78-Y81 PolarHBondContact O-N 3.46Å; C79-Y81 PolarHBondContact O-N 3.38Å; Y81-R83 VanDerWaalsContact C-N 3.35Å; Y81-R83 PolarHBondContact O-N 2.93Å; Y81-M84 PolarHBondContact O-N 2.99Å; Y81-V85 WeakPolarHBondContact O-CG2 3.4Å; Y81-V85 PolarHBondContact O-N 3.49Å; Y81-I107 HydrophobicContact CD2-CG2 3.71Å; Y81-I107 HydrophobicContact CE1-CG2 4.47Å; Y81-I107 HydrophobicContact CE2-CG2 3.69Å; Y81-I107 HydrophobicContact CG-CG2 4.14Å; Y81-V109 HydrophobicContact CD1-CB 3.88Å; Y81-V109 HydrophobicContact CD1-CG1 4.04Å; Y81-V109 HydrophobicContact CD1-CG2 4.14Å; Y81-V109 HydrophobicContact CE1-CB 4.07Å; Y81-V109 HydrophobicContact CG-CG1 4.33Å; Y81-I148 HydrophobicContact CD2-CG2 4.43Å; Y81-I148 HydrophobicContact CE1-CG2 3.93Å; Y81-I148 HydrophobicContact CE2-CG2 3.79Å; Y81-V151 HydrophobicContact CD1-CG1 4.29Å; Y81-V151 HydrophobicContact CE1-CB 4.35Å; Y81-V151 HydrophobicContact CE1-CG1 3.92Å
82V95.4Very high92.2Very high73 Ų7356.8 Ų56.844%0.44228%0.278SS..Hα-helixtrans-60.6-45.1176.5169.90000110.9L78 C79 M84 V85 W86L78-V82 HydrophobicContact CD1-CG2 4.43Å; L78-V82 WeakPolarHBondContact O-CG2 3.49Å; L78-V82 PolarHBondContact O-N 3.12Å; C79-V82 PolarHBondContact O-N 3.2Å; V82-M84 VanDerWaalsContact C-N 3.35Å; V82-M84 PolarHBondContact O-N 3.18Å; V82-V85 PolarHBondContact O-N 2.95Å; V82-W86 WeakPolarHBondContact O-CB 2.98Å; V82-W86 PolarHBondContact O-N 2.87Å
83R96.4Very high92.3Very high3 Ų350.1 Ų50.11%0.01126%0.261CS..Hα-helixtrans-58.9-45.5175.6-75.5169.667.883.6-1.9111.4D13 T42 G64 D65 L67 C79 A80 Y81 W86 M87D13-R83 IonicContact OD1-CZ 2.68Å; D13-R83 IonicContact OD1-NE 3.31Å; D13-R83 IonicContact OD1-NH2 3.39Å; D13-R83 PolarHBondContact OD1-NH2 3.06Å; T42-R83 HydrophobicContact CG2-CB 3.76Å; T42-R83 PolarHBondContact O-NH2 3.46Å; G64-R83 PolarHBondContact O-NH1 3.27Å; D65-R83 PolarHBondContact O-NH1 3.04Å; D65-R83 IonicContact OD1-NH2 3.51Å; L67-R83 HydrophobicContact CB-CG 3.61Å; L67-R83 HydrophobicContact CD1-CG 3.99Å; L67-R83 HydrophobicContact CG-CG 4.46Å; L67-R83 PolarHBondContact O-NH1 3.15Å; C79-R83 WeakPolarHBondContact O-CB 3.44Å; C79-R83 VanDerWaalsContact O-CG 3.29Å; C79-R83 WeakPolarHBondContact O-CG 3.33Å; C79-R83 PolarHBondContact O-N 3.06Å; A80-R83 PolarHBondContact O-N 3.27Å; Y81-R83 VanDerWaalsContact C-N 3.35Å; Y81-R83 PolarHBondContact O-N 2.93Å; R83-W86 PolarHBondContact O-N 2.96Å; R83-M87 WeakPolarHBondContact O-CB 3.22Å; R83-M87 PolarHBondContact O-N 3.18Å
84M96.2Very high92.7Very high0 Ų055 Ų550%027%0.27CS..Hα-helixtrans-66.9-40.2177.9-74.1-63.5-68.500113.2P12 T42 A80 Y81 V82 M87 S88 I107 V109 A110P12-M84 HydrophobicContact CB-CG 4.11Å; P12-M84 HydrophobicContact CB-SD 3.65Å; P12-M84 HydrophobicContact CG-SD 4.22Å; T42-M84 HydrophobicContact CG2-SD 4.14Å; A80-M84 WeakPolarHBondContact O-CB 3.33Å; A80-M84 WeakPolarHBondContact O-CG 3.45Å; A80-M84 PolarHBondContact O-N 3.47Å; Y81-M84 PolarHBondContact O-N 2.99Å; V82-M84 VanDerWaalsContact C-N 3.35Å; V82-M84 PolarHBondContact O-N 3.18Å; M84-M87 HydrophobicContact CE-CE 3.61Å; M84-M87 HydrophobicContact SD-CE 3.44Å; M84-M87 WeakPolarHBondContact SD-CE 3.49Å; M84-S88 VanDerWaalsContact O-CB 3.26Å; M84-S88 WeakPolarHBondContact O-CB 3.26Å; M84-S88 PolarHBondContact O-N 3.02Å; M84-S88 PolarHBondContact O-OG 3.21Å; M84-I107 HydrophobicContact CB-CG2 4.09Å; M84-I107 HydrophobicContact CE-CB 4.46Å; M84-I107 HydrophobicContact CG-CB 3.89Å; M84-I107 HydrophobicContact CG-CD1 3.77Å; M84-I107 HydrophobicContact CG-CG1 4.39Å; M84-I107 HydrophobicContact CG-CG2 3.92Å; M84-V109 HydrophobicContact CB-CG1 3.96Å; M84-A110 HydrophobicContact CE-CB 3.92Å
85V96.4Very high92.6Very high46 Ų4650 Ų5028%0.27925%0.252SS..Hα-helixtrans-61.8-46.8173.9169.90000110.2Y81 V82 S88 L89 V109 V113Y81-V85 WeakPolarHBondContact O-CG2 3.4Å; Y81-V85 PolarHBondContact O-N 3.49Å; V82-V85 PolarHBondContact O-N 2.95Å; V85-S88 PolarHBondContact O-N 2.89Å; V85-L89 HydrophobicContact CG1-CD1 4.05Å; V85-L89 HydrophobicContact CG1-CG 4.44Å; V85-L89 WeakPolarHBondContact O-CG 3.29Å; V85-L89 PolarHBondContact O-N 3.29Å; V85-V109 HydrophobicContact CG2-CG1 3.79Å; V85-V109 HydrophobicContact CG2-CG2 3.83Å; V85-V113 HydrophobicContact CG1-CG2 4.26Å; V85-V113 HydrophobicContact CG2-CG2 4.33Å
86W96.5Very high91.8Very high101 Ų10147 Ų4738%0.38324%0.237SC..Hα-helixtrans-59.8-50.8178.4-178-99.1000111.9W66 L67 V82 R83 S88 L89 I90W66-W86 AromaticContact CZ2-CE2 3.89Å; W66-W86 AromaticContact CZ2-CZ2 3.95Å; W66-W86 HydrophobicContact CZ2-CZ2 3.95Å; W66-W86 AromaticContact CZ2-NE1 3.95Å; L67-W86 HydrophobicContact CD1-CB 3.74Å; L67-W86 HydrophobicContact CD1-CG 3.8Å; V82-W86 WeakPolarHBondContact O-CB 2.98Å; V82-W86 PolarHBondContact O-N 2.87Å; R83-W86 PolarHBondContact O-N 2.96Å; W86-S88 VanDerWaalsContact C-N 3.29Å; W86-S88 PolarHBondContact O-N 3.2Å; W86-L89 PolarHBondContact O-N 3.42Å; W86-I90 HydrophobicContact CZ2-CD1 4.1Å; W86-I90 HydrophobicContact CZ2-CG1 4.46Å; W86-I90 WeakPolarHBondContact O-CG1 3.49Å; W86-I90 PolarHBondContact O-N 3.2Å
87M96.3Very high90.8Very high0 Ų044.2 Ų44.20%025%0.245CC..Hα-helixtrans-55.7-46.5175.4178.1178.375.500111.2L10 F40 T41 T42 I63 R83 M84 L89 I90 V91L10-M87 HydrophobicContact CB-CE 3.81Å; L10-M87 HydrophobicContact CD2-CE 4.48Å; L10-M87 HydrophobicContact CG-CE 4.02Å; F40-M87 VanDerWaalsContact C-SD 3.57Å; F40-M87 HydrophobicContact CB-CG 4.4Å; F40-M87 HydrophobicContact CB-SD 3.92Å; T41-M87 VanDerWaalsContact CA-SD 3.53Å; T42-M87 HydrophobicContact CG2-CB 4.12Å; T42-M87 HydrophobicContact CG2-CE 4.49Å; T42-M87 HydrophobicContact CG2-SD 4.04Å; I63-M87 HydrophobicContact CB-CB 4.28Å; I63-M87 HydrophobicContact CB-CG 4.02Å; I63-M87 HydrophobicContact CD1-CG 4.14Å; I63-M87 HydrophobicContact CG2-CB 4.29Å; I63-M87 HydrophobicContact CG2-CG 4.45Å; R83-M87 WeakPolarHBondContact O-CB 3.22Å; R83-M87 PolarHBondContact O-N 3.18Å; M84-M87 HydrophobicContact CE-CE 3.61Å; M84-M87 HydrophobicContact SD-CE 3.44Å; M84-M87 WeakPolarHBondContact SD-CE 3.49Å; M87-L89 VanDerWaalsContact C-N 3.32Å; M87-L89 PolarHBondContact O-N 3.4Å; M87-I90 PolarHBondContact O-N 2.75Å; M87-V91 HydrophobicContact CG-CG2 4.21Å; M87-V91 WeakPolarHBondContact O-CB 3.46Å; M87-V91 VanDerWaalsContact O-CG2 3.28Å; M87-V91 WeakPolarHBondContact O-CG2 3.49Å; M87-V91 PolarHBondContact O-N 2.88Å
88S95.4Very high90.4Very high0 Ų045.1 Ų45.10%025%0.25CC..Hα-helixtrans-63.1-36.9-179.4-58.20000112.7M84 V85 W86 S92 A110M84-S88 VanDerWaalsContact O-CB 3.26Å; M84-S88 WeakPolarHBondContact O-CB 3.26Å; M84-S88 PolarHBondContact O-N 3.02Å; M84-S88 PolarHBondContact O-OG 3.21Å; V85-S88 PolarHBondContact O-N 2.89Å; W86-S88 VanDerWaalsContact C-N 3.29Å; W86-S88 PolarHBondContact O-N 3.2Å; S88-S92 WeakPolarHBondContact O-CB 3.24Å; S88-S92 PolarHBondContact O-N 3.46Å; S88-S92 PolarHBondContact O-OG 2.95Å; S88-A110 VanDerWaalsContact OG-CA 3.26Å; S88-A110 WeakPolarHBondContact OG-CA 3.49Å; S88-A110 WeakPolarHBondContact OG-CB 3.38Å
89L95Very high90.5Very high70 Ų7042.5 Ų42.537%0.36624%0.235SC..Hα-helixtrans-65.8-44.8174.6-73.8170000111.7V85 W86 M87 S92 A93 V113 F117V85-L89 HydrophobicContact CG1-CD1 4.05Å; V85-L89 HydrophobicContact CG1-CG 4.44Å; V85-L89 WeakPolarHBondContact O-CG 3.29Å; V85-L89 PolarHBondContact O-N 3.29Å; W86-L89 PolarHBondContact O-N 3.42Å; M87-L89 VanDerWaalsContact C-N 3.32Å; M87-L89 PolarHBondContact O-N 3.4Å; L89-S92 WeakPolarHBondContact O-CB 3.3Å; L89-S92 PolarHBondContact O-N 2.9Å; L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 3.35Å; L89-V113 HydrophobicContact CD2-CG1 3.74Å; L89-V113 HydrophobicContact CG-CG1 3.87Å; L89-F117 HydrophobicContact CD2-CE2 4.03Å; L89-F117 HydrophobicContact CD2-CZ 4.29Å
90I94.1Very high90.5Very high41 Ų4145.7 Ų45.721%0.2125%0.249CC..Hα-helixtrans-66.2-45.6178.3-62.5-60.6000110.9I63 W86 M87 S92 A93 F94I63-I90 HydrophobicContact CD1-CB 4.28Å; I63-I90 HydrophobicContact CD1-CG2 3.82Å; I63-I90 HydrophobicContact CG1-CG2 4.41Å; I63-I90 HydrophobicContact CG2-CB 3.85Å; I63-I90 HydrophobicContact CG2-CG1 3.89Å; I63-I90 HydrophobicContact CG2-CG2 3.94Å; W86-I90 HydrophobicContact CZ2-CD1 4.1Å; W86-I90 HydrophobicContact CZ2-CG1 4.46Å; W86-I90 WeakPolarHBondContact O-CG1 3.49Å; W86-I90 PolarHBondContact O-N 3.2Å; M87-I90 PolarHBondContact O-N 2.75Å; I90-S92 PolarHBondContact O-N 2.92Å; I90-A93 PolarHBondContact O-N 3.21Å; I90-F94 HydrophobicContact CD1-CE2 4.08Å; I90-F94 HydrophobicContact CG2-CD2 3.9Å; I90-F94 HydrophobicContact CG2-CE2 4.43Å; I90-F94 WeakPolarHBondContact O-CD2 3.41Å; I90-F94 PolarHBondContact O-N 2.98Å
91V93.1Very high90.7Very high0 Ų044.4 Ų44.40%024%0.239CC..Hα-helixtrans-57.8-42.6174.5173.90000110.4L10 F40 I63 M87 Y95 S96L10-V91 HydrophobicContact CD1-CG1 4.44Å; F40-V91 HydrophobicContact CB-CG2 4.02Å; F40-V91 HydrophobicContact CD1-CG2 3.57Å; F40-V91 HydrophobicContact CD2-CG1 4.31Å; F40-V91 HydrophobicContact CD2-CG2 3.99Å; F40-V91 HydrophobicContact CE1-CG2 3.94Å; F40-V91 HydrophobicContact CE2-CG1 4.14Å; F40-V91 HydrophobicContact CE2-CG2 4.33Å; F40-V91 HydrophobicContact CG-CG2 3.58Å; F40-V91 HydrophobicContact CZ-CG1 4.39Å; F40-V91 HydrophobicContact CZ-CG2 4.3Å; I63-V91 HydrophobicContact CD1-CG2 3.73Å; M87-V91 HydrophobicContact CG-CG2 4.21Å; M87-V91 WeakPolarHBondContact O-CB 3.46Å; M87-V91 VanDerWaalsContact O-CG2 3.28Å; M87-V91 WeakPolarHBondContact O-CG2 3.49Å; M87-V91 PolarHBondContact O-N 2.88Å; V91-Y95 CarbonylContact O-C 3.53Å; V91-Y95 WeakPolarHBondContact O-CA 3.47Å; V91-Y95 WeakPolarHBondContact O-CB 3.45Å; V91-Y95 PolarHBondContact O-N 3.11Å; V91-S96 PolarHBondContact O-N 3.14Å
92S91.1Very high90.8Very high8 Ų843.5 Ų43.56%0.05624%0.235CC..Hα-helixtrans-66.2-36.7177-630000114S88 L89 I90 S96S88-S92 WeakPolarHBondContact O-CB 3.24Å; S88-S92 PolarHBondContact O-N 3.46Å; S88-S92 PolarHBondContact O-OG 2.95Å; L89-S92 WeakPolarHBondContact O-CB 3.3Å; L89-S92 PolarHBondContact O-N 2.9Å; I90-S92 PolarHBondContact O-N 2.92Å; S92-S96 WeakPolarHBondContact CA-OG 3.14Å; S92-S96 PolarHBondContact O-OG 3.42Å
93A88.5Confident90.9Very high69 Ų6940 Ų4057%0.5722%0.215SC*.Hα-helixtrans-77.3-36.9-178.300000112.5L89 I90L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 3.35Å; I90-A93 PolarHBondContact O-N 3.21Å
94F88.4Confident90.9Very high150 Ų15039.9 Ų39.966%0.65821%0.214SC*.Hα-helixtrans-115.8-17.8-166.4-61.3-73.5000115I90I90-F94 HydrophobicContact CD1-CE2 4.08Å; I90-F94 HydrophobicContact CG2-CD2 3.9Å; I90-F94 HydrophobicContact CG2-CE2 4.43Å; I90-F94 WeakPolarHBondContact O-CD2 3.41Å; I90-F94 PolarHBondContact O-N 2.98Å
95Y84.1Confident90.9Very high90 Ų9039.9 Ų39.935%0.35321%0.214SC..THydrogen-bonded Turntrans-127.6-26-171.6-59.8-95.1000114.3F40 V91 S97 S98F40-Y95 AromaticContact CE1-CD1 3.99Å; F40-Y95 HydrophobicContact CE1-CD1 3.99Å; F40-Y95 HydrophobicContact CE1-CD2 4.04Å; F40-Y95 HydrophobicContact CE1-CE1 4.11Å; F40-Y95 HydrophobicContact CE1-CE2 4.16Å; F40-Y95 AromaticContact CE1-CG 3.95Å; F40-Y95 HydrophobicContact CE1-CG 3.95Å; F40-Y95 AromaticContact CZ-CD1 3.8Å; F40-Y95 HydrophobicContact CZ-CD1 3.8Å; F40-Y95 HydrophobicContact CZ-CD2 4.28Å; F40-Y95 HydrophobicContact CZ-CE1 4.33Å; F40-Y95 AromaticContact CZ-CG 3.77Å; F40-Y95 HydrophobicContact CZ-CG 3.77Å; V91-Y95 CarbonylContact O-C 3.53Å; V91-Y95 WeakPolarHBondContact O-CA 3.47Å; V91-Y95 WeakPolarHBondContact O-CB 3.45Å; V91-Y95 PolarHBondContact O-N 3.11Å; Y95-S97 VanDerWaalsContact C-N 3.33Å; Y95-S97 PolarHBondContact O-N 3.04Å; Y95-S98 PolarHBondContact O-N 3.49Å; Y95-S98 PolarHBondContact O-OG 3.08Å
96S70.4Confident90.6Very high8 Ų841 Ų416%0.05622%0.216CC..G310 helixtrans-71.1-17.9-161.867.70000116.6V91 S92 S98 T118V91-S96 PolarHBondContact O-N 3.14Å; S92-S96 WeakPolarHBondContact CA-OG 3.14Å; S92-S96 PolarHBondContact O-OG 3.42Å; S96-S98 PolarHBondContact O-N 3.17Å; S96-S98 VanDerWaalsContact O-N 3.17Å; S96-T118 PolarHBondContact O-OG1 3.49Å
97S68.2Low90.4Very high121 Ų12137 Ų3785%0.84620%0.202SC*.G310 helixtrans-66.3-13.2177.757.20000113Y95Y95-S97 VanDerWaalsContact C-N 3.33Å; Y95-S97 PolarHBondContact O-N 3.04Å
98S80.9Confident90.3Very high42 Ų4237 Ų3729%0.29420%0.202SC..G310 helixtrans-101-20.9-175.471.30000115.3K6 Y95 S96K6-S98 WeakPolarHBondContact CB-O 3.39Å; K6-S98 WeakPolarHBondContact CD-O 3.43Å; Y95-S98 PolarHBondContact O-N 3.49Å; Y95-S98 PolarHBondContact O-OG 3.08Å; S96-S98 PolarHBondContact O-N 3.17Å; S96-S98 VanDerWaalsContact O-N 3.17Å
99F93.1Very high90.3Very high18 Ų1837.7 Ų37.78%0.07921%0.206CC..  trans-88.5138.3-173-59.2-60.9000112.5K6 A8 Q38 F40 I102 A120K6-F99 HydrophobicContact CB-CD1 3.95Å; K6-F99 WeakPolarHBondContact O-CA 3.32Å; A8-F99 HydrophobicContact CB-CD1 3.93Å; A8-F99 HydrophobicContact CB-CD2 3.75Å; A8-F99 HydrophobicContact CB-CE1 3.99Å; A8-F99 HydrophobicContact CB-CE2 3.79Å; A8-F99 HydrophobicContact CB-CG 3.83Å; A8-F99 HydrophobicContact CB-CZ 3.93Å; Q38-F99 HydrophobicContact CB-CE1 4.1Å; Q38-F99 HydrophobicContact CB-CZ 4.16Å; Q38-F99 HydrophobicContact CG-CZ 4.35Å; F40-F99 AromaticContact CE2-CE2 3.79Å; F40-F99 HydrophobicContact CE2-CE2 3.79Å; F40-F99 AromaticContact CE2-CZ 3.69Å; F40-F99 HydrophobicContact CE2-CZ 3.69Å; F40-F99 HydrophobicContact CZ-CE2 4.05Å; F40-F99 AromaticContact CZ-CZ 3.91Å; F40-F99 HydrophobicContact CZ-CZ 3.91Å; F99-I102 HydrophobicContact CB-CG1 4.29Å; F99-A120 WeakPolarHBondContact O-CB 3.49Å
100Q94.5Very high90.3Very high73 Ų7334.4 Ų34.434%0.34119%0.189SC..SBendtrans-92.9-31.2171.1-65.488.6-5.800112.2L5 K6 A120 K121 F407L5-Q100 HydrophobicContact CD2-CB 4.33Å; K6-Q100 VanDerWaalsContact CB-OE1 3.31Å; K6-Q100 PolarHBondContact O-N 3.44Å; K6-Q100 PolarHBondContact O-OE1 2.94Å; Q100-A120 WeakPolarHBondContact O-CA 3.44Å; Q100-K121 PolarHBondContact O-N 3.01Å; Q100-F407 HydrophobicContact CB-CE1 3.97Å; Q100-F407 HydrophobicContact CB-CE2 4.37Å; Q100-F407 HydrophobicContact CB-CZ 3.69Å; Q100-F407 WeakPolarHBondContact O-CZ 3.24Å
101L95.6Very high90.3Very high0 Ų032.4 Ų32.40%018%0.179CC..EExtended strand (participates in β ladder)trans-133.3135.6-175.9-170.962.2000110K6 I7 A8 F103 K121 V123 F406 F407K6-L101 PolarHBondContact O-N 3.3Å; I7-L101 VanDerWaalsContact CA-O 3.32Å; I7-L101 WeakPolarHBondContact CA-O 3.34Å; I7-L101 HydrophobicContact CD1-CD2 4.29Å; I7-L101 HydrophobicContact CG1-CB 4.24Å; I7-L101 HydrophobicContact CG2-CB 4.23Å; I7-L101 HydrophobicContact CG2-CD2 4.43Å; I7-L101 HydrophobicContact CG2-CG 4.37Å; A8-L101 PolarHBondContact N-O 2.69Å; L101-F103 HydrophobicContact CD2-CD2 4.42Å; L101-F103 HydrophobicContact CD2-CE2 3.46Å; L101-F103 VanDerWaalsContact CD2-CE2 3.46Å; L101-F103 HydrophobicContact CD2-CZ 3.99Å; L101-F103 HydrophobicContact CG-CD2 4.26Å; L101-F103 HydrophobicContact CG-CE2 3.75Å; L101-F103 HydrophobicContact CG-CZ 4.48Å; L101-K121 CarbonylContact C-O 3.45Å; L101-K121 WeakPolarHBondContact CA-O 3.47Å; L101-K121 HydrophobicContact CD1-CB 3.73Å; L101-K121 WeakPolarHBondContact CD1-O 3.4Å; L101-V123 HydrophobicContact CD1-CG2 3.72Å; L101-F406 HydrophobicContact CD1-CD2 3.85Å; L101-F406 HydrophobicContact CD1-CE2 4.14Å; L101-F407 HydrophobicContact CB-CE2 4.2Å; L101-F407 HydrophobicContact CD1-CE2 4.47Å
102I97Very high90.4Very high0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-128.3119.8179.5-57.1-178.1000108.4A8 L10 F99 V104 T118 A120 K121 I122 V123A8-I102 HydrophobicContact CB-CG1 4.31Å; A8-I102 HydrophobicContact CB-CG2 4.46Å; A8-I102 CarbonylContact O-C 3.54Å; A8-I102 WeakPolarHBondContact O-CA 3.44Å; L10-I102 HydrophobicContact CD1-CG2 3.72Å; F99-I102 HydrophobicContact CB-CG1 4.29Å; I102-V104 HydrophobicContact CG2-CG2 4.17Å; I102-T118 HydrophobicContact CD1-CG2 3.76Å; I102-A120 HydrophobicContact CD1-CB 3.83Å; I102-A120 HydrophobicContact CG1-CB 3.86Å; I102-K121 PolarHBondContact N-O 3.05Å; I102-I122 CarbonylContact O-C 3.56Å; I102-I122 WeakPolarHBondContact O-CA 3.48Å; I102-V123 PolarHBondContact O-N 2.65Å
103F97.3Very high90.6Very high1 Ų133.8 Ų33.80%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-92.1135.1169.2-74.5-96000109.8I7 A8 F9 L10 L30 L101 V123 F163 M399 I402I7-F103 HydrophobicContact CG2-CD2 3.73Å; I7-F103 HydrophobicContact CG2-CE2 3.86Å; A8-F103 PolarHBondContact O-N 2.93Å; F9-F103 CarbonylContact C-O 3.52Å; F9-F103 WeakPolarHBondContact CA-O 3.42Å; F9-F103 HydrophobicContact CD1-CB 3.42Å; F9-F103 VanDerWaalsContact CD1-CB 3.42Å; F9-F103 HydrophobicContact CD1-CD2 4.45Å; F9-F103 HydrophobicContact CD1-CG 4.03Å; F9-F103 HydrophobicContact CE1-CB 3.55Å; F9-F103 HydrophobicContact CE1-CD1 4.14Å; F9-F103 AromaticContact CE1-CD2 3.92Å; F9-F103 HydrophobicContact CE1-CD2 3.92Å; F9-F103 AromaticContact CE1-CG 3.61Å; F9-F103 HydrophobicContact CE1-CG 3.61Å; F9-F103 HydrophobicContact CE2-CD2 4.22Å; F9-F103 HydrophobicContact CG-CB 4.05Å; F9-F103 HydrophobicContact CZ-CB 4.26Å; F9-F103 AromaticContact CZ-CD2 3.8Å; F9-F103 HydrophobicContact CZ-CD2 3.8Å; F9-F103 HydrophobicContact CZ-CE2 4.29Å; F9-F103 AromaticContact CZ-CG 3.98Å; F9-F103 HydrophobicContact CZ-CG 3.98Å; L10-F103 PolarHBondContact N-O 3.47Å; L30-F103 HydrophobicContact CD1-CD2 4.31Å; L30-F103 HydrophobicContact CD1-CE2 3.64Å; L30-F103 HydrophobicContact CD1-CZ 4.16Å; L101-F103 HydrophobicContact CD2-CD2 4.42Å; L101-F103 HydrophobicContact CD2-CE2 3.46Å; L101-F103 VanDerWaalsContact CD2-CE2 3.46Å; L101-F103 HydrophobicContact CD2-CZ 3.99Å; L101-F103 HydrophobicContact CG-CD2 4.26Å; L101-F103 HydrophobicContact CG-CE2 3.75Å; L101-F103 HydrophobicContact CG-CZ 4.48Å; F103-V123 CarbonylContact C-O 3.57Å; F103-V123 WeakPolarHBondContact CA-O 3.43Å; F103-V123 HydrophobicContact CD1-CB 3.71Å; F103-V123 HydrophobicContact CD1-CG1 3.69Å; F103-V123 HydrophobicContact CE1-CB 3.69Å; F103-V123 HydrophobicContact CE1-CG1 3.47Å; F103-V123 VanDerWaalsContact CE1-CG1 3.47Å; F103-V123 HydrophobicContact CE1-CG2 4.16Å; F103-V123 HydrophobicContact CG-CB 4.28Å; F103-V123 HydrophobicContact CZ-CB 4.23Å; F103-V123 HydrophobicContact CZ-CG1 4.32Å; F103-V123 HydrophobicContact CZ-CG2 4.25Å; F103-F163 HydrophobicContact CE1-CD2 4.47Å; F103-F163 HydrophobicContact CE1-CE2 4.39Å; F103-M399 HydrophobicContact CD1-CE 4.45Å; F103-M399 HydrophobicContact CE1-CE 3.62Å; F103-M399 HydrophobicContact CE1-SD 4.45Å; F103-M399 HydrophobicContact CE2-CE 4.1Å; F103-M399 HydrophobicContact CZ-CE 3.41Å; F103-M399 VanDerWaalsContact CZ-CE 3.41Å; F103-I402 HydrophobicContact CZ-CG2 3.98Å
104V96.8Very high90.9Very high0 Ų030.5 Ų30.50%016%0.16CC..EExtended strand (participates in β ladder)trans-128.8138173.2-178.10000107.4L10 I102 A110 M111 I122 V123 F124 Y125L10-V104 HydrophobicContact CB-CG2 4.32Å; I102-V104 HydrophobicContact CG2-CG2 4.17Å; V104-A110 HydrophobicContact CG1-CB 3.88Å; V104-A110 HydrophobicContact CG2-CB 4.43Å; V104-M111 HydrophobicContact CB-CG 4.05Å; V104-M111 HydrophobicContact CG1-CG 4.12Å; V104-M111 HydrophobicContact CG2-CG 3.97Å; V104-I122 HydrophobicContact CG2-CG2 4.34Å; V104-V123 PolarHBondContact N-O 3.18Å; V104-F124 HydrophobicContact CB-CD2 4.02Å; V104-F124 HydrophobicContact CG1-CD2 3.98Å; V104-F124 HydrophobicContact CG1-CE2 4.09Å; V104-F124 CarbonylContact O-C 3.57Å; V104-F124 VanDerWaalsContact O-CA 3.24Å; V104-F124 WeakPolarHBondContact O-CA 3.36Å; V104-F124 WeakPolarHBondContact O-CD2 3.39Å; V104-Y125 PolarHBondContact O-N 2.95Å
105D95.4Very high91Very high0 Ų027.2 Ų27.20%014%0.143CC..EExtended strand (participates in β ladder)trans-137170.2174.375.2-55.9000111H11 I23 I107 H127H11-D105 WeakPolarHBondContact CA-OD1 3.26Å; H11-D105 WeakPolarHBondContact CB-OD1 3.45Å; H11-D105 IonicContact CE1-OD2 3.6Å; H11-D105 PolarHBondContact CE1-OD2 2.96Å; H11-D105 VanDerWaalsContact CE1-OD2 3.23Å; H11-D105 IonicContact CG-OD1 3.57Å; H11-D105 IonicContact CG-OD2 2.69Å; H11-D105 IonicContact ND1-OD1 3.64Å; H11-D105 PolarHBondContact ND1-OD1 2.84Å; H11-D105 IonicContact ND1-OD2 3.84Å; H11-D105 PolarHBondContact ND1-OD2 2.69Å; I23-D105 HydrophobicContact CD1-CB 4.07Å; D105-I107 PolarHBondContact O-N 3.17Å; D105-H127 IonicContact OD2-NE2 3.54Å; D105-H127 PolarHBondContact OD2-NE2 2.64Å
106Q90.3Very high91.4Very high68 Ų6827.7 Ų27.732%0.31816%0.159SC..SBendtrans60.3-61.8-179.8-65.6-8433.600115.7P12 A19P12-Q106 HydrophobicContact CG-CB 3.66Å; P12-Q106 HydrophobicContact CG-CG 4.25Å; A19-Q106 HydrophobicContact CB-CG 4.31Å
107I93Very high92.4Very high19 Ų1933 Ų3310%0.09718%0.181CC..  trans-116.8102.1-173.9-58.6176.8000109.8P12 A80 Y81 M84 D105 V109P12-I107 HydrophobicContact CB-CD1 3.92Å; P12-I107 HydrophobicContact CG-CD1 3.95Å; P12-I107 HydrophobicContact CG-CG1 4.1Å; A80-I107 HydrophobicContact CB-CD1 3.6Å; Y81-I107 HydrophobicContact CD2-CG2 3.71Å; Y81-I107 HydrophobicContact CE1-CG2 4.47Å; Y81-I107 HydrophobicContact CE2-CG2 3.69Å; Y81-I107 HydrophobicContact CG-CG2 4.14Å; M84-I107 HydrophobicContact CB-CG2 4.09Å; M84-I107 HydrophobicContact CE-CB 4.46Å; M84-I107 HydrophobicContact CG-CB 3.89Å; M84-I107 HydrophobicContact CG-CD1 3.77Å; M84-I107 HydrophobicContact CG-CG1 4.39Å; M84-I107 HydrophobicContact CG-CG2 3.92Å; D105-I107 PolarHBondContact O-N 3.17Å; I107-V109 VanDerWaalsContact C-N 3.26Å; I107-V109 HydrophobicContact CG2-CB 4.34Å; I107-V109 HydrophobicContact CG2-CG1 3.72Å; I107-V109 PolarHBondContact O-N 3.09Å
108S93.8Very high93.4Very high0 Ų028.3 Ų28.30%015%0.147CC..THydrogen-bonded Turntrans-68.1-15.3-173.453.10000115.2A110 M111 P112 E152 S155S108-A110 PolarHBondContact O-N 3.09Å; S108-M111 WeakPolarHBondContact O-CB 3.37Å; S108-M111 PolarHBondContact O-N 3.07Å; S108-P112 WeakPolarHBondContact O-CD 3.45Å; S108-E152 PolarHBondContact OG-O 2.7Å; S108-S155 WeakPolarHBondContact CB-OG 3.4Å; S108-S155 WeakPolarHBondContact O-CB 3.4Å; S108-S155 PolarHBondContact OG-OG 2.88Å
109V95Very high93.8Very high14 Ų1435.8 Ų35.89%0.08517%0.174CC..THydrogen-bonded Turntrans-59.8-21.4-178.282.10000113.9Y81 M84 V85 I107 M111 P112 V151Y81-V109 HydrophobicContact CD1-CB 3.88Å; Y81-V109 HydrophobicContact CD1-CG1 4.04Å; Y81-V109 HydrophobicContact CD1-CG2 4.14Å; Y81-V109 HydrophobicContact CE1-CB 4.07Å; Y81-V109 HydrophobicContact CG-CG1 4.33Å; M84-V109 HydrophobicContact CB-CG1 3.96Å; V85-V109 HydrophobicContact CG2-CG1 3.79Å; V85-V109 HydrophobicContact CG2-CG2 3.83Å; I107-V109 VanDerWaalsContact C-N 3.26Å; I107-V109 HydrophobicContact CG2-CB 4.34Å; I107-V109 HydrophobicContact CG2-CG1 3.72Å; I107-V109 PolarHBondContact O-N 3.09Å; V109-M111 VanDerWaalsContact C-N 3.27Å; V109-M111 PolarHBondContact O-N 2.89Å; V109-P112 VanDerWaalsContact O-CD 3.25Å; V109-P112 WeakPolarHBondContact O-CD 3.37Å; V109-P112 VanDerWaalsContact O-CG 3.24Å; V109-P112 WeakPolarHBondContact O-CG 3.3Å; V109-V151 HydrophobicContact CB-CG1 4.23Å; V109-V151 HydrophobicContact CG2-CG1 3.65Å
110A95Very high93.9Very high0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-62.7-34.7174.800000112.7L10 M84 S88 V104 S108 V113 V114L10-A110 HydrophobicContact CD2-CB 4.19Å; M84-A110 HydrophobicContact CE-CB 3.92Å; S88-A110 VanDerWaalsContact OG-CA 3.26Å; S88-A110 WeakPolarHBondContact OG-CA 3.49Å; S88-A110 WeakPolarHBondContact OG-CB 3.38Å; V104-A110 HydrophobicContact CG1-CB 3.88Å; V104-A110 HydrophobicContact CG2-CB 4.43Å; S108-A110 PolarHBondContact O-N 3.09Å; A110-V113 PolarHBondContact O-N 3.4Å; A110-V114 WeakPolarHBondContact O-CG2 3.39Å; A110-V114 PolarHBondContact O-N 2.92Å
111M95.2Very high93.9Very high0 Ų035.3 Ų35.30%017%0.172CC..Hα-helixtrans-60.6-51.7-175.6-62.6-166.9-8300114.4V104 S108 V109 V113 V114 R115 I122 F124 S155 M156 K158 A159V104-M111 HydrophobicContact CB-CG 4.05Å; V104-M111 HydrophobicContact CG1-CG 4.12Å; V104-M111 HydrophobicContact CG2-CG 3.97Å; S108-M111 WeakPolarHBondContact O-CB 3.37Å; S108-M111 PolarHBondContact O-N 3.07Å; V109-M111 VanDerWaalsContact C-N 3.27Å; V109-M111 PolarHBondContact O-N 2.89Å; M111-V113 PolarHBondContact O-N 3.27Å; M111-V114 WeakPolarHBondContact O-CG2 3.27Å; M111-R115 WeakPolarHBondContact O-CB 3.49Å; M111-R115 PolarHBondContact O-N 2.93Å; M111-I122 HydrophobicContact CB-CG2 4.24Å; M111-I122 HydrophobicContact CG-CG2 3.7Å; M111-I122 HydrophobicContact SD-CG2 3.78Å; M111-F124 HydrophobicContact CE-CB 4.01Å; M111-F124 HydrophobicContact CE-CD2 3.6Å; M111-F124 HydrophobicContact CE-CE2 4.23Å; M111-F124 HydrophobicContact CE-CG 3.81Å; M111-F124 HydrophobicContact SD-CB 3.73Å; M111-F124 HydrophobicContact SD-CD2 3.92Å; M111-F124 HydrophobicContact SD-CG 4.11Å; M111-S155 WeakPolarHBondContact CE-O 3.36Å; M111-M156 HydrophobicContact CE-SD 4.01Å; M111-K158 HydrophobicContact CB-CB 4.01Å; M111-A159 HydrophobicContact CE-CB 4.49Å; M111-A159 HydrophobicContact SD-CB 3.77Å
112P95.1Very high93.9Very high14 Ų1435.3 Ų35.39%0.09117%0.172CC..Hα-helixtrans-61.1-34.8175.721-32.4000112.4S108 V109 C116 W154 K158S108-P112 WeakPolarHBondContact O-CD 3.45Å; V109-P112 VanDerWaalsContact O-CD 3.25Å; V109-P112 WeakPolarHBondContact O-CD 3.37Å; V109-P112 VanDerWaalsContact O-CG 3.24Å; V109-P112 WeakPolarHBondContact O-CG 3.3Å; P112-C116 PolarHBondContact O-N 3.2Å; P112-C116 PolarHBondContact O-SG 2.94Å; P112-W154 HydrophobicContact CB-CH2 3.57Å; P112-W154 HydrophobicContact CB-CZ3 3.51Å; P112-W154 HydrophobicContact CG-CE3 4.39Å; P112-W154 HydrophobicContact CG-CH2 4.21Å; P112-W154 HydrophobicContact CG-CZ3 3.61Å; P112-K158 HydrophobicContact CB-CG 4.06Å
113V94.5Very high93.9Very high22 Ų2235.3 Ų35.313%0.13317%0.172CC..Hα-helixtrans-65.3-57178.6178.90000110.3V85 L89 A110 M111 R115 C116 F117V85-V113 HydrophobicContact CG1-CG2 4.26Å; V85-V113 HydrophobicContact CG2-CG2 4.33Å; L89-V113 HydrophobicContact CD2-CG1 3.74Å; L89-V113 HydrophobicContact CG-CG1 3.87Å; A110-V113 PolarHBondContact O-N 3.4Å; M111-V113 PolarHBondContact O-N 3.27Å; V113-R115 VanDerWaalsContact C-N 3.27Å; V113-R115 PolarHBondContact O-N 3.45Å; V113-C116 WeakPolarHBondContact O-CB 3.33Å; V113-C116 PolarHBondContact O-N 3.33Å; V113-C116 VanDerWaalsContact O-N 3.14Å; V113-F117 WeakPolarHBondContact O-CD2 3.28Å
114V94.1Very high93.8Very high1 Ų135.7 Ų35.71%0.00617%0.174CC..Hα-helixtrans-63.2-35.2-178.2-59.60000111.9L10 A110 M111 C116 F117 T118 I122L10-V114 HydrophobicContact CD2-CG1 3.83Å; A110-V114 WeakPolarHBondContact O-CG2 3.39Å; A110-V114 PolarHBondContact O-N 2.92Å; M111-V114 WeakPolarHBondContact O-CG2 3.27Å; V114-C116 PolarHBondContact O-N 3.36Å; V114-C116 VanDerWaalsContact O-N 3.17Å; V114-F117 PolarHBondContact O-N 2.87Å; V114-T118 HydrophobicContact CB-CG2 4.47Å; V114-T118 WeakPolarHBondContact O-CG2 3.41Å; V114-T118 PolarHBondContact O-N 3.11Å; V114-I122 HydrophobicContact CG2-CD1 3.68Å; V114-I122 HydrophobicContact CG2-CG1 4.37Å
115R92.1Very high93.8Very high80 Ų8035.7 Ų35.730%0.30217%0.174SC..Hα-helixtrans-58.1-30.5177.4-178.163.669.1162.17.3113.1M111 V113 F117 I122 K158 D160M111-R115 WeakPolarHBondContact O-CB 3.49Å; M111-R115 PolarHBondContact O-N 2.93Å; V113-R115 VanDerWaalsContact C-N 3.27Å; V113-R115 PolarHBondContact O-N 3.45Å; R115-F117 PolarHBondContact O-N 3.49Å; R115-I122 HydrophobicContact CB-CD1 3.99Å; R115-K158 PolarHBondContact NH2-O 3.43Å; R115-D160 IonicContact CZ-OD2 2.75Å; R115-D160 IonicContact NH1-OD1 3.23Å; R115-D160 IonicContact NH1-OD2 3.26Å; R115-D160 PolarHBondContact NH1-OD2 3.15Å; R115-D160 IonicContact NH2-OD1 2.64Å; R115-D160 IonicContact NH2-OD2 2.87Å; R115-D160 PolarHBondContact NH2-OD2 3.47Å
116C91.9Very high93.7Very high101 Ų10135.9 Ų35.968%0.68218%0.175SC*.THydrogen-bonded Turntrans-67.4-21177.8-70.20000113.3P112 V113 V114P112-C116 PolarHBondContact O-N 3.2Å; P112-C116 PolarHBondContact O-SG 2.94Å; V113-C116 WeakPolarHBondContact O-CB 3.33Å; V113-C116 PolarHBondContact O-N 3.33Å; V113-C116 VanDerWaalsContact O-N 3.14Å; V114-C116 PolarHBondContact O-N 3.36Å; V114-C116 VanDerWaalsContact O-N 3.17Å
117F90.7Very high93.7Very high120 Ų12033.7 Ų33.753%0.52617%0.165SC..THydrogen-bonded Turntrans-120.6-14.5-171.3-58.3-82.4000114.2L89 V113 V114 R115L89-F117 HydrophobicContact CD2-CE2 4.03Å; L89-F117 HydrophobicContact CD2-CZ 4.29Å; V113-F117 WeakPolarHBondContact O-CD2 3.28Å; V114-F117 PolarHBondContact O-N 2.87Å; R115-F117 PolarHBondContact O-N 3.49Å
118T89.6Confident93.6Very high21 Ų2134.3 Ų34.313%0.12917%0.167CC..  trans-135.7152.6179-171.10000113.6S96 I102 V114 A120S96-T118 PolarHBondContact O-OG1 3.49Å; I102-T118 HydrophobicContact CD1-CG2 3.76Å; V114-T118 HydrophobicContact CB-CG2 4.47Å; V114-T118 WeakPolarHBondContact O-CG2 3.41Å; V114-T118 PolarHBondContact O-N 3.11Å; T118-A120 HydrophobicContact CG2-CB 3.85Å; T118-A120 WeakPolarHBondContact OG1-CB 3.45Å; T118-A120 PolarHBondContact OG1-N 3.25Å; T118-A120 VanDerWaalsContact OG1-N 3.12Å
119K90.5Very high93.3Very high199 Ų19934.3 Ų34.387%0.86517%0.167SC*.  trans-94.53.5170.4-64.2-174.5-179178.60112.8
120A93.8Very high92.9Very high6 Ų636 Ų365%0.0518%0.175CC..  trans-52.4148174.500000110.9F99 Q100 I102 T118F99-A120 WeakPolarHBondContact O-CB 3.49Å; Q100-A120 WeakPolarHBondContact O-CA 3.44Å; I102-A120 HydrophobicContact CD1-CB 3.83Å; I102-A120 HydrophobicContact CG1-CB 3.86Å; T118-A120 HydrophobicContact CG2-CB 3.85Å; T118-A120 WeakPolarHBondContact OG1-CB 3.45Å; T118-A120 PolarHBondContact OG1-N 3.25Å; T118-A120 VanDerWaalsContact OG1-N 3.12Å
121K95.4Very high92.5Very high76 Ų7637 Ų3733%0.3318%0.181SC..EExtended strand (participates in β ladder)trans-73.4132.9174.3-64-58.4-173.6-174.90109.3Q100 L101 I102 D160 F406 F407Q100-K121 PolarHBondContact O-N 3.01Å; L101-K121 CarbonylContact C-O 3.45Å; L101-K121 WeakPolarHBondContact CA-O 3.47Å; L101-K121 HydrophobicContact CD1-CB 3.73Å; L101-K121 WeakPolarHBondContact CD1-O 3.4Å; I102-K121 PolarHBondContact N-O 3.05Å; K121-D160 WeakPolarHBondContact CA-OD2 3.25Å; K121-D160 HydrophobicContact CD-CB 4.33Å; K121-D160 IonicContact NZ-OD1 3.64Å; K121-F406 HydrophobicContact CB-CD1 3.98Å; K121-F406 HydrophobicContact CB-CD2 4.09Å; K121-F406 HydrophobicContact CB-CE1 4.12Å; K121-F406 HydrophobicContact CB-CE2 4.22Å; K121-F406 HydrophobicContact CB-CG 3.94Å; K121-F406 HydrophobicContact CB-CZ 4.21Å; K121-F406 HydrophobicContact CD-CD1 3.75Å; K121-F406 HydrophobicContact CD-CE1 3.87Å; K121-F406 HydrophobicContact CD-CG 4.47Å; K121-F406 HydrophobicContact CG-CB 4.09Å; K121-F406 HydrophobicContact CG-CD1 3.56Å; K121-F406 HydrophobicContact CG-CD2 4.44Å; K121-F406 HydrophobicContact CG-CE1 4.02Å; K121-F406 HydrophobicContact CG-CG 3.79Å; K121-F407 HydrophobicContact CG-CZ 4.09Å
122I96Very high92Very high0 Ų041.1 Ų41.10%020%0.202CC..EExtended strand (participates in β ladder)trans-107.2118.7-177.3-55178000108.8I102 V104 M111 V114 R115 D160 Y161I102-I122 CarbonylContact O-C 3.56Å; I102-I122 WeakPolarHBondContact O-CA 3.48Å; V104-I122 HydrophobicContact CG2-CG2 4.34Å; M111-I122 HydrophobicContact CB-CG2 4.24Å; M111-I122 HydrophobicContact CG-CG2 3.7Å; M111-I122 HydrophobicContact SD-CG2 3.78Å; V114-I122 HydrophobicContact CG2-CD1 3.68Å; V114-I122 HydrophobicContact CG2-CG1 4.37Å; R115-I122 HydrophobicContact CB-CD1 3.99Å; I122-D160 PolarHBondContact N-OD2 3.1Å; I122-D160 WeakPolarHBondContact O-CA 3.22Å; I122-D160 WeakPolarHBondContact O-CB 3.29Å; I122-D160 PolarHBondContact O-N 3.25Å; I122-Y161 PolarHBondContact O-N 2.8Å
123V96.5Very high91.3Very high0 Ų044.6 Ų44.60%022%0.219CC..EExtended strand (participates in β ladder)trans-106.2126.9172.1-178.90000108.2L101 I102 F103 V104 Y161 F163 I402 F406L101-V123 HydrophobicContact CD1-CG2 3.72Å; I102-V123 PolarHBondContact O-N 2.65Å; F103-V123 CarbonylContact C-O 3.57Å; F103-V123 WeakPolarHBondContact CA-O 3.43Å; F103-V123 HydrophobicContact CD1-CB 3.71Å; F103-V123 HydrophobicContact CD1-CG1 3.69Å; F103-V123 HydrophobicContact CE1-CB 3.69Å; F103-V123 HydrophobicContact CE1-CG1 3.47Å; F103-V123 VanDerWaalsContact CE1-CG1 3.47Å; F103-V123 HydrophobicContact CE1-CG2 4.16Å; F103-V123 HydrophobicContact CG-CB 4.28Å; F103-V123 HydrophobicContact CZ-CB 4.23Å; F103-V123 HydrophobicContact CZ-CG1 4.32Å; F103-V123 HydrophobicContact CZ-CG2 4.25Å; V104-V123 PolarHBondContact N-O 3.18Å; V123-Y161 WeakPolarHBondContact CA-O 3.44Å; V123-Y161 HydrophobicContact CG1-CD1 4.48Å; V123-F163 HydrophobicContact CG1-CD2 3.67Å; V123-F163 HydrophobicContact CG1-CE2 4.08Å; V123-I402 HydrophobicContact CG2-CD1 4.39Å; V123-I402 HydrophobicContact CG2-CG1 3.92Å; V123-F406 HydrophobicContact CG2-CD2 4.5Å; V123-F406 HydrophobicContact CG2-CE2 3.68Å; V123-F406 HydrophobicContact CG2-CZ 4.49Å
124F96.1Very high90.4Very high8 Ų844.9 Ų44.94%0.03522%0.221CC..EExtended strand (participates in β ladder)trans-100.3128.2170.3-170.3-105.6000110V104 M111 C126 M156 A159 Y161 V162 F163V104-F124 HydrophobicContact CB-CD2 4.02Å; V104-F124 HydrophobicContact CG1-CD2 3.98Å; V104-F124 HydrophobicContact CG1-CE2 4.09Å; V104-F124 CarbonylContact O-C 3.57Å; V104-F124 VanDerWaalsContact O-CA 3.24Å; V104-F124 WeakPolarHBondContact O-CA 3.36Å; V104-F124 WeakPolarHBondContact O-CD2 3.39Å; M111-F124 HydrophobicContact CE-CB 4.01Å; M111-F124 HydrophobicContact CE-CD2 3.6Å; M111-F124 HydrophobicContact CE-CE2 4.23Å; M111-F124 HydrophobicContact CE-CG 3.81Å; M111-F124 HydrophobicContact SD-CB 3.73Å; M111-F124 HydrophobicContact SD-CD2 3.92Å; M111-F124 HydrophobicContact SD-CG 4.11Å; F124-C126 HydrophobicContact CD1-CB 3.78Å; F124-C126 HydrophobicContact CE1-CB 3.61Å; F124-M156 HydrophobicContact CD1-CE 3.53Å; F124-M156 HydrophobicContact CD1-SD 3.45Å; F124-M156 WeakPolarHBondContact CD1-SD 3.03Å; F124-M156 HydrophobicContact CE1-CE 3.84Å; F124-M156 HydrophobicContact CE1-SD 3.41Å; F124-M156 WeakPolarHBondContact CE1-SD 3.35Å; F124-M156 HydrophobicContact CG-CE 4.41Å; F124-M156 HydrophobicContact CG-SD 4.06Å; F124-M156 HydrophobicContact CZ-SD 4.04Å; F124-A159 HydrophobicContact CB-CB 4.12Å; F124-Y161 PolarHBondContact N-O 3.12Å; F124-V162 HydrophobicContact CB-CG2 4.42Å; F124-V162 HydrophobicContact CD1-CG1 4.27Å; F124-V162 CarbonylContact O-C 3.58Å; F124-V162 VanDerWaalsContact O-CA 3.31Å; F124-V162 WeakPolarHBondContact O-CA 3.36Å; F124-F163 PolarHBondContact O-N 2.8Å
125Y95.4Very high89.4Confident1 Ų148.7 Ų48.70%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-98.5105.7169.4-160.7-66.8000109L22 V104 H127 F163 N165 L189L22-Y125 HydrophobicContact CD1-CD1 4.26Å; L22-Y125 HydrophobicContact CD1-CE1 3.44Å; L22-Y125 VanDerWaalsContact CD1-CE1 3.44Å; L22-Y125 HydrophobicContact CD1-CE2 4.45Å; L22-Y125 WeakPolarHBondContact CD1-OH 3.44Å; L22-Y125 HydrophobicContact CD2-CD1 3.74Å; L22-Y125 HydrophobicContact CD2-CD2 3.88Å; L22-Y125 HydrophobicContact CD2-CE1 3.62Å; L22-Y125 HydrophobicContact CD2-CE2 3.73Å; L22-Y125 HydrophobicContact CD2-CG 3.9Å; L22-Y125 HydrophobicContact CG-CE1 4.19Å; V104-Y125 PolarHBondContact O-N 2.95Å; Y125-H127 AromaticContact CD1-CE1 3.96Å; Y125-H127 AromaticContact CD1-NE2 3.84Å; Y125-F163 HydrophobicContact CD2-CB 3.45Å; Y125-F163 VanDerWaalsContact CD2-CB 3.45Å; Y125-F163 HydrophobicContact CD2-CD2 4.23Å; Y125-F163 HydrophobicContact CD2-CG 4.14Å; Y125-F163 HydrophobicContact CE2-CB 3.68Å; Y125-F163 HydrophobicContact CE2-CG 4.29Å; Y125-F163 HydrophobicContact CG-CB 4.03Å; Y125-N165 HydrophobicContact CE1-CB 4.23Å; Y125-N165 WeakPolarHBondContact OH-CA 3.13Å; Y125-L189 HydrophobicContact CE2-CB 4.12Å; Y125-L189 HydrophobicContact CE2-CD2 4.14Å; Y125-L189 HydrophobicContact CE2-CG 4.34Å; Y125-L189 PolarHBondContact OH-O 3.08Å
126C93.5Very high88.7Confident3 Ų350.7 Ų50.72%0.0225%0.252CS..EExtended strand (participates in β ladder)trans-91.7108-179.1-173.70000110.5F124 V162 F163 F164F124-C126 HydrophobicContact CD1-CB 3.78Å; F124-C126 HydrophobicContact CE1-CB 3.61Å; C126-V162 HydrophobicContact CB-CG1 4.05Å; C126-F163 PolarHBondContact N-O 3.3Å; C126-F164 HydrophobicContact CB-CD1 3.62Å; C126-F164 HydrophobicContact CB-CE1 3.6Å
127H90.9Very high87.8Confident23 Ų2357 Ų5711%0.10626%0.261CS..SBendtrans-75-44.7174.1-60.4-95000111.7A19 D105 Y125 N165 T169A19-H127 VanDerWaalsContact CA-CE1 3.48Å; A19-H127 WeakPolarHBondContact CA-CE1 3.43Å; D105-H127 IonicContact OD2-NE2 3.54Å; D105-H127 PolarHBondContact OD2-NE2 2.64Å; Y125-H127 AromaticContact CD1-CE1 3.96Å; Y125-H127 AromaticContact CD1-NE2 3.84Å; H127-N165 PolarHBondContact O-ND2 2.86Å; H127-N165 PolarHBondContact O-OD1 2.86Å; H127-T169 WeakPolarHBondContact O-CG2 3.48Å
128F89.6Confident87.5Confident31 Ų3154 Ų5414%0.13626%0.256CS..SBendtrans-172.6154.8170.5-157.9-112.7000109.4D130 L132 L133 F168 T169 V172 H318F128-D130 PolarHBondContact O-N 3.47Å; F128-L132 HydrophobicContact CD1-CB 4.19Å; F128-L132 HydrophobicContact CE1-CB 3.59Å; F128-L132 HydrophobicContact CE1-CD1 3.66Å; F128-L132 HydrophobicContact CE1-CG 4.28Å; F128-L132 HydrophobicContact CZ-CB 4.49Å; F128-L132 HydrophobicContact CZ-CD1 3.77Å; F128-L133 HydrophobicContact CD1-CD2 4.12Å; F128-L133 HydrophobicContact CD1-CG 4.23Å; F128-F168 AromaticContact CE2-CE1 3.97Å; F128-F168 HydrophobicContact CE2-CE1 3.97Å; F128-T169 HydrophobicContact CD2-CG2 3.97Å; F128-V172 HydrophobicContact CE2-CB 4.33Å; F128-V172 HydrophobicContact CE2-CG1 3.97Å; F128-V172 HydrophobicContact CZ-CG1 3.91Å; F128-H318 VanDerWaalsContact CB-CE1 3.41Å; F128-H318 WeakPolarHBondContact CB-CE1 3.31Å; F128-H318 VanDerWaalsContact CB-ND1 3.26Å; F128-H318 WeakPolarHBondContact CB-ND1 3.43Å; F128-H318 AromaticContact CD1-CD2 3.94Å; F128-H318 AromaticContact CD1-CE1 3.27Å; F128-H318 WeakPolarHBondContact CD1-CE1 3.35Å; F128-H318 AromaticContact CD1-ND1 3.95Å; F128-H318 AromaticContact CD1-NE2 3.27Å; F128-H318 VanDerWaalsContact CD1-NE2 3.27Å; F128-H318 WeakPolarHBondContact CD1-NE2 3.03Å; F128-H318 HydrophobicContact CD2-CB 3.92Å; F128-H318 AromaticContact CD2-CD2 3.19Å; F128-H318 WeakPolarHBondContact CD2-CD2 3.42Å; F128-H318 AromaticContact CD2-CE1 3.66Å; F128-H318 AromaticContact CD2-CG 3.27Å; F128-H318 AromaticContact CD2-ND1 3.57Å; F128-H318 AromaticContact CD2-NE2 3.49Å; F128-H318 WeakPolarHBondContact CD2-NE2 3.18Å; F128-H318 AromaticContact CE1-CD2 3.91Å; F128-H318 AromaticContact CE1-CE1 3.82Å; F128-H318 AromaticContact CE1-NE2 3.3Å; F128-H318 VanDerWaalsContact CE1-NE2 3.3Å; F128-H318 WeakPolarHBondContact CE1-NE2 3.2Å; F128-H318 HydrophobicContact CE2-CB 4.48Å; F128-H318 AromaticContact CE2-CD2 3.21Å; F128-H318 WeakPolarHBondContact CE2-CD2 3.47Å; F128-H318 AromaticContact CE2-CG 3.78Å; F128-H318 AromaticContact CE2-NE2 3.56Å; F128-H318 AromaticContact CG-CD2 3.57Å; F128-H318 AromaticContact CG-CE1 3.15Å; F128-H318 WeakPolarHBondContact CG-CE1 3.47Å; F128-H318 AromaticContact CG-CG 3.58Å; F128-H318 AromaticContact CG-ND1 3.33Å; F128-H318 VanDerWaalsContact CG-ND1 3.33Å; F128-H318 WeakPolarHBondContact CG-ND1 3.42Å; F128-H318 AromaticContact CG-NE2 3.34Å; F128-H318 VanDerWaalsContact CG-NE2 3.34Å; F128-H318 WeakPolarHBondContact CG-NE2 3.47Å; F128-H318 AromaticContact CZ-CD2 3.57Å; F128-H318 AromaticContact CZ-NE2 3.45Å; F128-H318 WeakPolarHBondContact CZ-NE2 3.32Å
129P89.1Confident87.3Confident0 Ų059.6 Ų59.60%028%0.284CS..  trans-62.6124.9174.4-23.434.6000113M131 L132 V176 F177P129-M131 VanDerWaalsContact C-N 3.28Å; P129-M131 HydrophobicContact CB-CG 4.18Å; P129-M131 PolarHBondContact O-N 2.96Å; P129-L132 HydrophobicContact CB-CD1 4.37Å; P129-L132 HydrophobicContact CB-CG 4.22Å; P129-L132 HydrophobicContact CG-CD1 4.33Å; P129-L132 PolarHBondContact O-N 3.02Å; P129-L132 VanDerWaalsContact O-N 3.14Å; P129-V176 HydrophobicContact CB-CG1 4.07Å; P129-V176 HydrophobicContact CG-CB 4.45Å; P129-V176 HydrophobicContact CG-CG1 4.34Å; P129-F177 HydrophobicContact CB-CE1 4.14Å; P129-F177 HydrophobicContact CB-CE2 4.11Å; P129-F177 HydrophobicContact CB-CZ 3.59Å; P129-F177 HydrophobicContact CG-CE2 3.77Å; P129-F177 HydrophobicContact CG-CZ 3.8Å
130D85.9Confident87.1Confident49 Ų4956.7 Ų56.726%0.26228%0.277SS..Hα-helixtrans-64.3-34.2179.7174.964.3000111.4F128 L132 L133 R145 E152F128-D130 PolarHBondContact O-N 3.47Å; D130-L132 PolarHBondContact O-N 3.39Å; D130-L132 VanDerWaalsContact O-N 3.09Å; D130-L133 WeakPolarHBondContact O-CB 3.44Å; D130-L133 PolarHBondContact O-N 3.39Å; D130-R145 IonicContact OD2-CZ 2.84Å; D130-R145 IonicContact OD2-NH1 2.69Å; D130-R145 PolarHBondContact OD2-NH1 2.6Å; D130-R145 IonicContact OD2-NH2 3.59Å; D130-R145 PolarHBondContact OD2-NH2 2.95Å; D130-E152 WeakPolarHBondContact CB-OE1 3.34Å; D130-E152 PolarHBondContact N-OE1 2.67Å
131M86.1Confident86.5Confident23 Ų2359.9 Ų59.911%0.11329%0.289CS..Hα-helixtrans-59.7-20.9175.368.1175.579.100115.1P129 R136 D149 E152 D153 V176 F177P129-M131 VanDerWaalsContact C-N 3.28Å; P129-M131 HydrophobicContact CB-CG 4.18Å; P129-M131 PolarHBondContact O-N 2.96Å; M131-R136 PolarHBondContact O-NH2 3.45Å; M131-D149 HydrophobicContact CB-CB 4.14Å; M131-D149 WeakPolarHBondContact CB-OD1 3.44Å; M131-D149 HydrophobicContact CE-CB 4.32Å; M131-D149 WeakPolarHBondContact CE-O 2.78Å; M131-E152 WeakPolarHBondContact CB-OE2 3.46Å; M131-E152 HydrophobicContact CE-CB 4.24Å; M131-E152 HydrophobicContact CE-CG 4.47Å; M131-E152 PolarHBondContact N-OE2 3.38Å; M131-D153 HydrophobicContact CE-CB 4.19Å; M131-V176 HydrophobicContact CE-CG1 4.01Å; M131-V176 HydrophobicContact CG-CG1 3.68Å; M131-V176 HydrophobicContact SD-CG1 3.18Å; M131-V176 WeakPolarHBondContact SD-CG1 3.28Å; M131-F177 HydrophobicContact CE-CD1 3.9Å; M131-F177 HydrophobicContact CE-CE1 3.73Å
132L84.9Confident86Confident85 Ų8557.9 Ų57.945%0.44529%0.285SS..Hα-helixtrans-90.1-20174.3-66-173.9000113.1F128 P129 D130 T134 V172 V176F128-L132 HydrophobicContact CD1-CB 4.19Å; F128-L132 HydrophobicContact CE1-CB 3.59Å; F128-L132 HydrophobicContact CE1-CD1 3.66Å; F128-L132 HydrophobicContact CE1-CG 4.28Å; F128-L132 HydrophobicContact CZ-CB 4.49Å; F128-L132 HydrophobicContact CZ-CD1 3.77Å; P129-L132 HydrophobicContact CB-CD1 4.37Å; P129-L132 HydrophobicContact CB-CG 4.22Å; P129-L132 HydrophobicContact CG-CD1 4.33Å; P129-L132 PolarHBondContact O-N 3.02Å; P129-L132 VanDerWaalsContact O-N 3.14Å; D130-L132 PolarHBondContact O-N 3.39Å; D130-L132 VanDerWaalsContact O-N 3.09Å; L132-T134 VanDerWaalsContact C-N 3.32Å; L132-V172 HydrophobicContact CD1-CG1 3.4Å; L132-V176 HydrophobicContact CD1-CG2 3.8Å; L132-V176 HydrophobicContact CD2-CG2 4.3Å; L132-V176 HydrophobicContact CG-CG2 4.21Å
133L80.2Confident85.6Confident87 Ų8762.8 Ų62.846%0.45531%0.31SS..Hα-helixtrans-78.3-16.3179.3-68.2177.5000113.2F128 D130F128-L133 HydrophobicContact CD1-CD2 4.12Å; F128-L133 HydrophobicContact CD1-CG 4.23Å; D130-L133 WeakPolarHBondContact O-CB 3.44Å; D130-L133 PolarHBondContact O-N 3.39Å
134T76.2Confident85.2Confident29 Ų2965.4 Ų65.418%0.17832%0.321CS..SBendtrans-94.3125.8-173.6-165.40000113.6L132 R136 K141 R145L132-T134 VanDerWaalsContact C-N 3.32Å; T134-R136 HydrophobicContact CG2-CG 4.49Å; T134-K141 WeakPolarHBondContact OG1-CE 3.37Å; T134-R145 HydrophobicContact CG2-CG 3.98Å
135T72Confident85Confident80 Ų8065.2 Ų65.249%0.49132%0.32SS..  trans-75.2123.9173.754.60000111.6R137 K141T135-R137 PolarHBondContact O-N 3.31Å; T135-K141 WeakPolarHBondContact O-CD 3.37Å; T135-K141 WeakPolarHBondContact O-CE 3.3Å; T135-K141 PolarHBondContact O-NZ 3.26Å; T135-K141 PolarHBondContact OG1-NZ 3.38Å; T135-K141 VanDerWaalsContact OG1-NZ 3.12Å
136R77.4Confident84.7Confident122 Ų12270 Ų7046%0.4635%0.345SS..  trans-99.648.3-176.9-60.3-178.4-167-164.8-3113M131 T134 S138 D149M131-R136 PolarHBondContact O-NH2 3.45Å; T134-R136 HydrophobicContact CG2-CG 4.49Å; R136-S138 PolarHBondContact O-N 3.06Å; R136-D149 IonicContact CZ-OD2 3.18Å; R136-D149 IonicContact NH1-OD2 3.79Å; R136-D149 IonicContact NH2-OD2 3.33Å; R136-D149 PolarHBondContact NH2-OD2 3.46Å
137R74.5Confident84.6Confident233 Ų23373.6 Ų73.688%0.87937%0.368SS*.  trans-68-14.3-174.4-67.2-173.1-179.21791.7114.9T135T135-R137 PolarHBondContact O-N 3.31Å
138S84.1Confident84.6Confident59 Ų5973 Ų7341%0.41337%0.365SS..SBendtrans-133152.3-18074.50000112.9R136 I140 K141 S142R136-S138 PolarHBondContact O-N 3.06Å; S138-I140 VanDerWaalsContact C-N 3.31Å; S138-I140 PolarHBondContact O-N 3.4Å; S138-K141 PolarHBondContact O-N 2.67Å; S138-K141 WeakPolarHBondContact OG-CB 3.31Å; S138-K141 PolarHBondContact OG-N 3.41Å; S138-S142 WeakPolarHBondContact O-CB 3.24Å; S138-S142 PolarHBondContact O-N 2.94Å; S138-S142 PolarHBondContact O-OG 2.82Å
139L84.2Confident84.7Confident137 Ų13772.2 Ų72.272%0.71736%0.363SS*.Hα-helixtrans-58-43.9176.3-167.787.1000111.3K141 S142 L143L139-K141 PolarHBondContact O-N 3.16Å; L139-S142 WeakPolarHBondContact O-CB 3.47Å; L139-S142 PolarHBondContact O-N 3.25Å; L139-L143 HydrophobicContact CD2-CD1 4.41Å; L139-L143 HydrophobicContact CG-CD1 4.37Å; L139-L143 WeakPolarHBondContact O-CG 3.35Å; L139-L143 PolarHBondContact O-N 3.06Å
140I86.4Confident84.8Confident139 Ų13978 Ų7871%0.71339%0.388SS*.Hα-helixtrans-61-45.8179.3-61.6172.1000110.8S138 S142 L143 Y144S138-I140 VanDerWaalsContact C-N 3.31Å; S138-I140 PolarHBondContact O-N 3.4Å; I140-S142 VanDerWaalsContact C-N 3.3Å; I140-S142 PolarHBondContact O-N 2.75Å; I140-L143 PolarHBondContact O-N 2.94Å; I140-Y144 VanDerWaalsContact O-CB 3.31Å; I140-Y144 WeakPolarHBondContact O-CB 3.26Å; I140-Y144 PolarHBondContact O-N 2.78Å
141K83.2Confident85.1Confident72 Ų7277.6 Ų77.631%0.31339%0.387SS..Hα-helixtrans-67.1-35178.5-171.3171.7177.2-167.20111.4T134 T135 S138 L139 Y144 R145T134-K141 WeakPolarHBondContact OG1-CE 3.37Å; T135-K141 WeakPolarHBondContact O-CD 3.37Å; T135-K141 WeakPolarHBondContact O-CE 3.3Å; T135-K141 PolarHBondContact O-NZ 3.26Å; T135-K141 PolarHBondContact OG1-NZ 3.38Å; T135-K141 VanDerWaalsContact OG1-NZ 3.12Å; S138-K141 PolarHBondContact O-N 2.67Å; S138-K141 WeakPolarHBondContact OG-CB 3.31Å; S138-K141 PolarHBondContact OG-N 3.41Å; L139-K141 PolarHBondContact O-N 3.16Å; K141-Y144 PolarHBondContact O-N 3.31Å; K141-R145 PolarHBondContact O-N 3.43Å; K141-R145 VanDerWaalsContact O-N 3.1Å
142S85Confident85.5Confident35 Ų3576.8 Ų76.825%0.24538%0.383CS..Hα-helixtrans-63.8-50.4175-57.70000111.2S138 L139 I140 Y144 R145 I146S138-S142 WeakPolarHBondContact O-CB 3.24Å; S138-S142 PolarHBondContact O-N 2.94Å; S138-S142 PolarHBondContact O-OG 2.82Å; L139-S142 WeakPolarHBondContact O-CB 3.47Å; L139-S142 PolarHBondContact O-N 3.25Å; I140-S142 VanDerWaalsContact C-N 3.3Å; I140-S142 PolarHBondContact O-N 2.75Å; S142-Y144 VanDerWaalsContact C-N 3.33Å; S142-Y144 PolarHBondContact O-N 3.35Å; S142-R145 PolarHBondContact O-N 3.44Å; S142-R145 VanDerWaalsContact O-N 3.15Å; S142-I146 WeakPolarHBondContact O-CG1 3.3Å; S142-I146 PolarHBondContact O-N 3.02Å
143L87.6Confident85.8Confident102 Ų10273.4 Ų73.453%0.53437%0.365SS..Hα-helixtrans-60.8-40.2176.4-69.6174000112.3L139 I140 R145 I146 P147L139-L143 HydrophobicContact CD2-CD1 4.41Å; L139-L143 HydrophobicContact CG-CD1 4.37Å; L139-L143 WeakPolarHBondContact O-CG 3.35Å; L139-L143 PolarHBondContact O-N 3.06Å; I140-L143 PolarHBondContact O-N 2.94Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.16Å; L143-I146 HydrophobicContact CD2-CD1 3.97Å; L143-I146 PolarHBondContact O-N 2.77Å; L143-P147 WeakPolarHBondContact O-CD 3.42Å
144Y88Confident86.4Confident55 Ų5573.8 Ų73.822%0.21636%0.361CS..Hα-helixtrans-60.2-36.3175.2164.6-110000113.1L75 A77 L78 I140 K141 S142 P147 I148L75-Y144 HydrophobicContact CD2-CD2 3.67Å; L75-Y144 HydrophobicContact CD2-CE2 3.36Å; L75-Y144 PolarHBondContact O-OH 2.88Å; A77-Y144 HydrophobicContact CB-CE1 4.47Å; A77-Y144 WeakPolarHBondContact CB-OH 3.45Å; A77-Y144 PolarHBondContact N-OH 2.82Å; L78-Y144 HydrophobicContact CB-CE2 4.06Å; L78-Y144 PolarHBondContact N-OH 2.83Å; I140-Y144 VanDerWaalsContact O-CB 3.31Å; I140-Y144 WeakPolarHBondContact O-CB 3.26Å; I140-Y144 PolarHBondContact O-N 2.78Å; K141-Y144 PolarHBondContact O-N 3.31Å; S142-Y144 VanDerWaalsContact C-N 3.33Å; S142-Y144 PolarHBondContact O-N 3.35Å; Y144-P147 WeakPolarHBondContact O-CD 3.3Å; Y144-I148 HydrophobicContact CD2-CD1 4.45Å; Y144-I148 HydrophobicContact CE1-CD1 4.01Å; Y144-I148 HydrophobicContact CE2-CD1 3.76Å
145R90.7Very high87.2Confident4 Ų472.4 Ų72.42%0.01535%0.353CS..Hα-helixtrans-79.4-27.5-178.6-78.4-60.1-56.5-159.1-4.8114.1D130 T134 K141 S142 L143 I148 D149 E152D130-R145 IonicContact OD2-CZ 2.84Å; D130-R145 IonicContact OD2-NH1 2.69Å; D130-R145 PolarHBondContact OD2-NH1 2.6Å; D130-R145 IonicContact OD2-NH2 3.59Å; D130-R145 PolarHBondContact OD2-NH2 2.95Å; T134-R145 HydrophobicContact CG2-CG 3.98Å; K141-R145 PolarHBondContact O-N 3.43Å; K141-R145 VanDerWaalsContact O-N 3.1Å; S142-R145 PolarHBondContact O-N 3.44Å; S142-R145 VanDerWaalsContact O-N 3.15Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.16Å; R145-I148 PolarHBondContact O-N 2.95Å; R145-D149 IonicContact CZ-OD1 3.15Å; R145-D149 IonicContact NE-OD1 3.89Å; R145-D149 PolarHBondContact NE-OD1 3.45Å; R145-D149 IonicContact NH2-OD1 2.95Å; R145-D149 PolarHBondContact NH2-OD1 3.07Å; R145-D149 WeakPolarHBondContact O-CB 3.42Å; R145-D149 VanDerWaalsContact O-CG 3.23Å; R145-D149 PolarHBondContact O-N 2.8Å; R145-E152 IonicContact NH2-OE2 2.69Å
146I89Confident88.2Confident103 Ų10368.6 Ų68.653%0.52833%0.329SS..Hα-helixtrans-46.6-55.3-179.5-68.3171000113.4S142 L143 I148 F150S142-I146 WeakPolarHBondContact O-CG1 3.3Å; S142-I146 PolarHBondContact O-N 3.02Å; L143-I146 HydrophobicContact CD2-CD1 3.97Å; L143-I146 PolarHBondContact O-N 2.77Å; I146-I148 VanDerWaalsContact C-N 3.33Å; I146-I148 PolarHBondContact O-N 3.29Å; I146-F150 WeakPolarHBondContact O-CB 3.47Å; I146-F150 PolarHBondContact O-N 3.32Å; I146-F150 VanDerWaalsContact O-N 3.1Å
147P91Very high88.7Confident77 Ų7763.9 Ų63.950%0.532%0.315SS..Hα-helixtrans-67.7-33.6-179.225.8-34.6000112.7L143 Y144 V151L143-P147 WeakPolarHBondContact O-CD 3.42Å; Y144-P147 WeakPolarHBondContact O-CD 3.3Å; P147-V151 VanDerWaalsContact O-CG2 3.25Å; P147-V151 WeakPolarHBondContact O-CG2 3.45Å; P147-V151 PolarHBondContact O-N 3.13Å
148I91.3Very high89.6Confident10 Ų1055.7 Ų55.75%0.05129%0.285CS..Hα-helixtrans-68.6-48.6-179.8-61.6178.9000110.1A77 Y81 Y144 R145 I146 F150 V151 E152A77-I148 HydrophobicContact CB-CD1 3.92Å; Y81-I148 HydrophobicContact CD2-CG2 4.43Å; Y81-I148 HydrophobicContact CE1-CG2 3.93Å; Y81-I148 HydrophobicContact CE2-CG2 3.79Å; Y144-I148 HydrophobicContact CD2-CD1 4.45Å; Y144-I148 HydrophobicContact CE1-CD1 4.01Å; Y144-I148 HydrophobicContact CE2-CD1 3.76Å; R145-I148 PolarHBondContact O-N 2.95Å; I146-I148 VanDerWaalsContact C-N 3.33Å; I146-I148 PolarHBondContact O-N 3.29Å; I148-F150 VanDerWaalsContact C-N 3.3Å; I148-F150 PolarHBondContact O-N 2.89Å; I148-V151 PolarHBondContact O-N 3.45Å; I148-V151 VanDerWaalsContact O-N 3.14Å; I148-E152 PolarHBondContact O-N 2.73Å
149D91.1Very high90.1Very high16 Ų1653.2 Ų53.29%0.08627%0.269CS..Hα-helixtrans-61.6-39.5178.9-62.6-9.7000111.1M131 R136 R145 E152 D153M131-D149 HydrophobicContact CB-CB 4.14Å; M131-D149 WeakPolarHBondContact CB-OD1 3.44Å; M131-D149 HydrophobicContact CE-CB 4.32Å; M131-D149 WeakPolarHBondContact CE-O 2.78Å; R136-D149 IonicContact CZ-OD2 3.18Å; R136-D149 IonicContact NH1-OD2 3.79Å; R136-D149 IonicContact NH2-OD2 3.33Å; R136-D149 PolarHBondContact NH2-OD2 3.46Å; R145-D149 IonicContact CZ-OD1 3.15Å; R145-D149 IonicContact NE-OD1 3.89Å; R145-D149 PolarHBondContact NE-OD1 3.45Å; R145-D149 IonicContact NH2-OD1 2.95Å; R145-D149 PolarHBondContact NH2-OD1 3.07Å; R145-D149 WeakPolarHBondContact O-CB 3.42Å; R145-D149 VanDerWaalsContact O-CG 3.23Å; R145-D149 PolarHBondContact O-N 2.8Å; D149-E152 PolarHBondContact O-N 3.13Å; D149-D153 PolarHBondContact O-N 2.91Å
150F92Very high90.5Very high120 Ų12048.4 Ų48.453%0.52624%0.244SC..Hα-helixtrans-62.6-44.7174.6175.5-95.6000111.7I146 I148 D153 W154I146-F150 WeakPolarHBondContact O-CB 3.47Å; I146-F150 PolarHBondContact O-N 3.32Å; I146-F150 VanDerWaalsContact O-N 3.1Å; I148-F150 VanDerWaalsContact C-N 3.3Å; I148-F150 PolarHBondContact O-N 2.89Å; F150-D153 PolarHBondContact O-N 2.76Å; F150-W154 HydrophobicContact CE1-CB 4.45Å; F150-W154 VanDerWaalsContact O-CB 3.27Å; F150-W154 WeakPolarHBondContact O-CB 3.25Å; F150-W154 PolarHBondContact O-N 2.79Å
151V93Very high90.9Very high42 Ų4242.7 Ų42.726%0.25521%0.213SC..Hα-helixtrans-65.3-40.7177.5170.80000110.8Y81 V109 P147 I148 S155Y81-V151 HydrophobicContact CD1-CG1 4.29Å; Y81-V151 HydrophobicContact CE1-CB 4.35Å; Y81-V151 HydrophobicContact CE1-CG1 3.92Å; V109-V151 HydrophobicContact CB-CG1 4.23Å; V109-V151 HydrophobicContact CG2-CG1 3.65Å; P147-V151 VanDerWaalsContact O-CG2 3.25Å; P147-V151 WeakPolarHBondContact O-CG2 3.45Å; P147-V151 PolarHBondContact O-N 3.13Å; I148-V151 PolarHBondContact O-N 3.45Å; I148-V151 VanDerWaalsContact O-N 3.14Å; V151-S155 WeakPolarHBondContact O-CB 3.43Å; V151-S155 PolarHBondContact O-N 2.82Å; V151-S155 PolarHBondContact O-OG 3.4Å
152E93.2Very high91.4Very high5 Ų539.2 Ų39.22%0.02320%0.198CC..Hα-helixtrans-55.8-55.9174.8-165.4-170.6171.900110.5S108 D130 M131 R145 I148 D149 S155 M156 F177S108-E152 PolarHBondContact OG-O 2.7Å; D130-E152 WeakPolarHBondContact CB-OE1 3.34Å; D130-E152 PolarHBondContact N-OE1 2.67Å; M131-E152 WeakPolarHBondContact CB-OE2 3.46Å; M131-E152 HydrophobicContact CE-CB 4.24Å; M131-E152 HydrophobicContact CE-CG 4.47Å; M131-E152 PolarHBondContact N-OE2 3.38Å; R145-E152 IonicContact NH2-OE2 2.69Å; I148-E152 PolarHBondContact O-N 2.73Å; D149-E152 PolarHBondContact O-N 3.13Å; E152-S155 PolarHBondContact O-N 3.04Å; E152-S155 PolarHBondContact O-OG 3.19Å; E152-M156 WeakPolarHBondContact O-CG 3.39Å; E152-M156 PolarHBondContact O-N 3.29Å; E152-F177 HydrophobicContact CG-CE1 3.92Å; E152-F177 HydrophobicContact CG-CZ 4.47Å
153D91.7Very high91.8Very high14 Ų1437.8 Ų37.88%0.07519%0.188CC..Hα-helixtrans-59.6-50.9178.918023.6000112.4M131 D149 F150 S155 M156 F177 K178 H179M131-D153 HydrophobicContact CE-CB 4.19Å; D149-D153 PolarHBondContact O-N 2.91Å; F150-D153 PolarHBondContact O-N 2.76Å; D153-S155 VanDerWaalsContact C-N 3.32Å; D153-S155 PolarHBondContact O-N 2.75Å; D153-M156 WeakPolarHBondContact O-CB 3.49Å; D153-M156 PolarHBondContact O-N 2.82Å; D153-F177 HydrophobicContact CB-CD1 4.25Å; D153-F177 WeakPolarHBondContact OD1-CA 3.31Å; D153-K178 PolarHBondContact OD1-N 2.91Å; D153-H179 VanDerWaalsContact CG-ND1 3.29Å; D153-H179 IonicContact OD1-CG 3.13Å; D153-H179 PolarHBondContact OD1-N 3.03Å; D153-H179 IonicContact OD1-ND1 3.38Å; D153-H179 IonicContact OD2-CE1 3.78Å; D153-H179 IonicContact OD2-CG 2.67Å; D153-H179 IonicContact OD2-ND1 3.73Å; D153-H179 PolarHBondContact OD2-ND1 3.43Å
154W93.2Very high92Very high96 Ų9633 Ų3336%0.36416%0.162SC..Hα-helixtrans-61.5-40.6-179.3171.679.8000112.5P112 F150 M156 S157P112-W154 HydrophobicContact CB-CH2 3.57Å; P112-W154 HydrophobicContact CB-CZ3 3.51Å; P112-W154 HydrophobicContact CG-CE3 4.39Å; P112-W154 HydrophobicContact CG-CH2 4.21Å; P112-W154 HydrophobicContact CG-CZ3 3.61Å; F150-W154 HydrophobicContact CE1-CB 4.45Å; F150-W154 VanDerWaalsContact O-CB 3.27Å; F150-W154 WeakPolarHBondContact O-CB 3.25Å; F150-W154 PolarHBondContact O-N 2.79Å; W154-M156 VanDerWaalsContact C-N 3.3Å; W154-M156 PolarHBondContact O-N 2.86Å; W154-S157 WeakPolarHBondContact O-CB 3.48Å; W154-S157 PolarHBondContact O-N 3.4Å; W154-S157 PolarHBondContact O-OG 3.49Å
155S93.7Very high92.1Very high0 Ų030.9 Ų30.90%016%0.155CC..Hα-helixtrans-68.8-28.2-17855.80000112.6S108 M111 V151 E152 D153 S157 K158S108-S155 WeakPolarHBondContact CB-OG 3.4Å; S108-S155 WeakPolarHBondContact O-CB 3.4Å; S108-S155 PolarHBondContact OG-OG 2.88Å; M111-S155 WeakPolarHBondContact CE-O 3.36Å; V151-S155 WeakPolarHBondContact O-CB 3.43Å; V151-S155 PolarHBondContact O-N 2.82Å; V151-S155 PolarHBondContact O-OG 3.4Å; E152-S155 PolarHBondContact O-N 3.04Å; E152-S155 PolarHBondContact O-OG 3.19Å; D153-S155 VanDerWaalsContact C-N 3.32Å; D153-S155 PolarHBondContact O-N 2.75Å; S155-S157 PolarHBondContact O-N 3.41Å; S155-S157 VanDerWaalsContact O-N 3.17Å; S155-K158 VanDerWaalsContact O-CB 3.32Å; S155-K158 WeakPolarHBondContact O-CB 3.34Å; S155-K158 WeakPolarHBondContact O-CG 3.39Å; S155-K158 PolarHBondContact O-N 2.94Å
156M91.4Very high92.1Very high0 Ų030.7 Ų30.70%015%0.154CC..Hα-helixtrans-56.4-30171.7-70.1-62.2-68.900112.9M111 F124 E152 D153 W154 K158 A159 V162 F177 L180M111-M156 HydrophobicContact CE-SD 4.01Å; F124-M156 HydrophobicContact CD1-CE 3.53Å; F124-M156 HydrophobicContact CD1-SD 3.45Å; F124-M156 WeakPolarHBondContact CD1-SD 3.03Å; F124-M156 HydrophobicContact CE1-CE 3.84Å; F124-M156 HydrophobicContact CE1-SD 3.41Å; F124-M156 WeakPolarHBondContact CE1-SD 3.35Å; F124-M156 HydrophobicContact CG-CE 4.41Å; F124-M156 HydrophobicContact CG-SD 4.06Å; F124-M156 HydrophobicContact CZ-SD 4.04Å; E152-M156 WeakPolarHBondContact O-CG 3.39Å; E152-M156 PolarHBondContact O-N 3.29Å; D153-M156 WeakPolarHBondContact O-CB 3.49Å; D153-M156 PolarHBondContact O-N 2.82Å; W154-M156 VanDerWaalsContact C-N 3.3Å; W154-M156 PolarHBondContact O-N 2.86Å; M156-K158 PolarHBondContact O-N 3.45Å; M156-A159 PolarHBondContact O-N 3.45Å; M156-V162 HydrophobicContact CE-CG1 3.98Å; M156-V162 HydrophobicContact CE-CG2 4.12Å; M156-F177 HydrophobicContact CB-CG 4.49Å; M156-F177 HydrophobicContact CE-CD2 4.05Å; M156-F177 HydrophobicContact CE-CE2 3.96Å; M156-F177 HydrophobicContact CG-CD1 3.96Å; M156-F177 HydrophobicContact CG-CD2 4.08Å; M156-F177 HydrophobicContact CG-CE1 4.01Å; M156-F177 HydrophobicContact CG-CE2 4.15Å; M156-F177 HydrophobicContact CG-CG 3.98Å; M156-F177 HydrophobicContact CG-CZ 4.1Å; M156-F177 HydrophobicContact SD-CE2 4.38Å; M156-F177 HydrophobicContact SD-CZ 4.48Å; M156-L180 HydrophobicContact CB-CD1 4.49Å
157S89.2Confident92Very high22 Ų2227.7 Ų27.715%0.15414%0.138CC..THydrogen-bonded Turntrans-65.3-8.8175.977.80000114.7W154 S155 H179W154-S157 WeakPolarHBondContact O-CB 3.48Å; W154-S157 PolarHBondContact O-N 3.4Å; W154-S157 PolarHBondContact O-OG 3.49Å; S155-S157 PolarHBondContact O-N 3.41Å; S155-S157 VanDerWaalsContact O-N 3.17Å; S157-H179 VanDerWaalsContact CB-O 3.32Å; S157-H179 WeakPolarHBondContact CB-O 3.47Å
158K93.6Very high91.8Very high61 Ų6125.5 Ų25.527%0.26512%0.12SC..THydrogen-bonded Turntrans-96.7-6.5-177-52.4-54.6-179.9-171.70113.9M111 P112 R115 S155 M156M111-K158 HydrophobicContact CB-CB 4.01Å; P112-K158 HydrophobicContact CB-CG 4.06Å; R115-K158 PolarHBondContact NH2-O 3.43Å; S155-K158 VanDerWaalsContact O-CB 3.32Å; S155-K158 WeakPolarHBondContact O-CB 3.34Å; S155-K158 WeakPolarHBondContact O-CG 3.39Å; S155-K158 PolarHBondContact O-N 2.94Å; M156-K158 PolarHBondContact O-N 3.45Å
159A93.3Very high91.7Very high8 Ų825 Ų257%0.06612%0.118CC..  trans-69.8140.6172.800000111.1M111 F124 M156 V162M111-A159 HydrophobicContact CE-CB 4.49Å; M111-A159 HydrophobicContact SD-CB 3.77Å; F124-A159 HydrophobicContact CB-CB 4.12Å; M156-A159 PolarHBondContact O-N 3.45Å; A159-V162 HydrophobicContact CB-CG2 3.79Å
160D93.8Very high91.7Very high35 Ų3525.6 Ų25.619%0.18712%0.12CC..SBendtrans-82.6-21.5165.5-66.4-81.7000111.6R115 K121 I122 P185 F406R115-D160 IonicContact CZ-OD2 2.75Å; R115-D160 IonicContact NH1-OD1 3.23Å; R115-D160 IonicContact NH1-OD2 3.26Å; R115-D160 PolarHBondContact NH1-OD2 3.15Å; R115-D160 IonicContact NH2-OD1 2.64Å; R115-D160 IonicContact NH2-OD2 2.87Å; R115-D160 PolarHBondContact NH2-OD2 3.47Å; K121-D160 WeakPolarHBondContact CA-OD2 3.25Å; K121-D160 HydrophobicContact CD-CB 4.33Å; K121-D160 IonicContact NZ-OD1 3.64Å; I122-D160 PolarHBondContact N-OD2 3.1Å; I122-D160 WeakPolarHBondContact O-CA 3.22Å; I122-D160 WeakPolarHBondContact O-CB 3.29Å; I122-D160 PolarHBondContact O-N 3.25Å; D160-P185 WeakPolarHBondContact O-CD 3.5Å; D160-F406 HydrophobicContact CB-CE1 3.77Å; D160-F406 HydrophobicContact CB-CZ 3.63Å
161Y93.8Very high91.4Very high19 Ų1925.1 Ų25.18%0.07512%0.12CC..EExtended strand (participates in β ladder)trans-155.7145.8175.6-164.5-83.2000110.4I122 V123 F124 F163 P185 G187 I402 Y405I122-Y161 PolarHBondContact O-N 2.8Å; V123-Y161 WeakPolarHBondContact CA-O 3.44Å; V123-Y161 HydrophobicContact CG1-CD1 4.48Å; F124-Y161 PolarHBondContact N-O 3.12Å; Y161-F163 HydrophobicContact CD1-CD1 4.46Å; Y161-F163 HydrophobicContact CD1-CD2 4.31Å; Y161-F163 HydrophobicContact CD1-CE1 4.49Å; Y161-F163 HydrophobicContact CD1-CE2 4.36Å; Y161-F163 HydrophobicContact CD1-CG 4.37Å; Y161-F163 HydrophobicContact CD1-CZ 4.46Å; Y161-F163 AromaticContact CE1-CD1 3.73Å; Y161-F163 HydrophobicContact CE1-CD1 3.73Å; Y161-F163 HydrophobicContact CE1-CD2 4.31Å; Y161-F163 AromaticContact CE1-CE1 3.63Å; Y161-F163 HydrophobicContact CE1-CE1 3.63Å; Y161-F163 HydrophobicContact CE1-CE2 4.24Å; Y161-F163 HydrophobicContact CE1-CG 4.08Å; Y161-F163 AromaticContact CE1-CZ 3.92Å; Y161-F163 HydrophobicContact CE1-CZ 3.92Å; Y161-P185 WeakPolarHBondContact CA-O 3.37Å; Y161-P185 HydrophobicContact CD2-CB 3.63Å; Y161-P185 HydrophobicContact CE2-CB 3.85Å; Y161-G187 WeakPolarHBondContact OH-CA 3.46Å; Y161-G187 PolarHBondContact OH-N 3.47Å; Y161-I402 HydrophobicContact CD1-CD1 3.71Å; Y161-I402 HydrophobicContact CD2-CD1 3.62Å; Y161-I402 HydrophobicContact CE1-CD1 4.05Å; Y161-I402 HydrophobicContact CE2-CD1 3.97Å; Y161-I402 HydrophobicContact CG-CD1 3.5Å; Y161-I402 VanDerWaalsContact CG-CD1 3.5Å; Y161-Y405 HydrophobicContact CD2-CD1 4.12Å; Y161-Y405 HydrophobicContact CD2-CD2 4.49Å; Y161-Y405 AromaticContact CD2-CE1 3.64Å; Y161-Y405 HydrophobicContact CD2-CE1 3.64Å; Y161-Y405 HydrophobicContact CD2-CE2 4.09Å; Y161-Y405 AromaticContact CD2-CZ 3.72Å; Y161-Y405 HydrophobicContact CE2-CD2 4.14Å; Y161-Y405 HydrophobicContact CE2-CE1 4.19Å; Y161-Y405 AromaticContact CE2-CE2 3.8Å; Y161-Y405 HydrophobicContact CE2-CE2 3.8Å; Y161-Y405 AromaticContact CE2-CZ 3.91Å
162V93Very high91.1Very high0 Ų023.7 Ų23.70%011%0.111CC..EExtended strand (participates in β ladder)trans-121.5123.4174.6-173.90000110.9F124 C126 M156 A159 F164 L180 V184 P185 V186 G187F124-V162 HydrophobicContact CB-CG2 4.42Å; F124-V162 HydrophobicContact CD1-CG1 4.27Å; F124-V162 CarbonylContact O-C 3.58Å; F124-V162 VanDerWaalsContact O-CA 3.31Å; F124-V162 WeakPolarHBondContact O-CA 3.36Å; C126-V162 HydrophobicContact CB-CG1 4.05Å; M156-V162 HydrophobicContact CE-CG1 3.98Å; M156-V162 HydrophobicContact CE-CG2 4.12Å; A159-V162 HydrophobicContact CB-CG2 3.79Å; V162-F164 HydrophobicContact CB-CE2 4.35Å; V162-F164 HydrophobicContact CB-CZ 4.34Å; V162-F164 HydrophobicContact CG1-CD1 4.41Å; V162-F164 HydrophobicContact CG1-CD2 4.44Å; V162-F164 HydrophobicContact CG1-CE1 3.83Å; V162-F164 HydrophobicContact CG1-CE2 3.9Å; V162-F164 HydrophobicContact CG1-CZ 3.56Å; V162-L180 HydrophobicContact CG2-CD1 4.02Å; V162-V184 HydrophobicContact CG2-CG1 4.05Å; V162-P185 PolarHBondContact N-O 3.44Å; V162-V186 HydrophobicContact CB-CG1 4.13Å; V162-V186 CarbonylContact O-C 3.52Å; V162-V186 WeakPolarHBondContact O-CA 3.03Å; V162-G187 PolarHBondContact O-N 2.9Å
163F93.8Very high90.9Very high5 Ų523.4 Ų23.42%0.02211%0.11CC..EExtended strand (participates in β ladder)trans-89.3143.3165.2-80.5-60.4000110.9F103 V123 F124 Y125 C126 Y161 G187 L189 I402F103-F163 HydrophobicContact CE1-CD2 4.47Å; F103-F163 HydrophobicContact CE1-CE2 4.39Å; V123-F163 HydrophobicContact CG1-CD2 3.67Å; V123-F163 HydrophobicContact CG1-CE2 4.08Å; F124-F163 PolarHBondContact O-N 2.8Å; Y125-F163 HydrophobicContact CD2-CB 3.45Å; Y125-F163 VanDerWaalsContact CD2-CB 3.45Å; Y125-F163 HydrophobicContact CD2-CD2 4.23Å; Y125-F163 HydrophobicContact CD2-CG 4.14Å; Y125-F163 HydrophobicContact CE2-CB 3.68Å; Y125-F163 HydrophobicContact CE2-CG 4.29Å; Y125-F163 HydrophobicContact CG-CB 4.03Å; C126-F163 PolarHBondContact N-O 3.3Å; Y161-F163 HydrophobicContact CD1-CD1 4.46Å; Y161-F163 HydrophobicContact CD1-CD2 4.31Å; Y161-F163 HydrophobicContact CD1-CE1 4.49Å; Y161-F163 HydrophobicContact CD1-CE2 4.36Å; Y161-F163 HydrophobicContact CD1-CG 4.37Å; Y161-F163 HydrophobicContact CD1-CZ 4.46Å; Y161-F163 AromaticContact CE1-CD1 3.73Å; Y161-F163 HydrophobicContact CE1-CD1 3.73Å; Y161-F163 HydrophobicContact CE1-CD2 4.31Å; Y161-F163 AromaticContact CE1-CE1 3.63Å; Y161-F163 HydrophobicContact CE1-CE1 3.63Å; Y161-F163 HydrophobicContact CE1-CE2 4.24Å; Y161-F163 HydrophobicContact CE1-CG 4.08Å; Y161-F163 AromaticContact CE1-CZ 3.92Å; Y161-F163 HydrophobicContact CE1-CZ 3.92Å; F163-G187 CarbonylContact C-O 3.54Å; F163-G187 VanDerWaalsContact CA-O 3.3Å; F163-G187 WeakPolarHBondContact CA-O 3.18Å; F163-L189 HydrophobicContact CD1-CB 3.49Å; F163-L189 VanDerWaalsContact CD1-CB 3.49Å; F163-L189 HydrophobicContact CD1-CD2 4.37Å; F163-L189 HydrophobicContact CD2-CD2 4.43Å; F163-L189 HydrophobicContact CE1-CB 3.76Å; F163-L189 HydrophobicContact CE1-CD2 4.22Å; F163-L189 HydrophobicContact CE2-CD2 4.27Å; F163-L189 HydrophobicContact CG-CB 4.07Å; F163-L189 HydrophobicContact CG-CD2 4.47Å; F163-L189 HydrophobicContact CZ-CD2 4.15Å; F163-I402 HydrophobicContact CE2-CB 3.83Å; F163-I402 HydrophobicContact CE2-CD1 4.4Å; F163-I402 HydrophobicContact CE2-CG1 3.88Å; F163-I402 HydrophobicContact CE2-CG2 3.81Å; F163-I402 HydrophobicContact CZ-CB 3.75Å; F163-I402 HydrophobicContact CZ-CD1 4.4Å; F163-I402 HydrophobicContact CZ-CG1 4.15Å; F163-I402 HydrophobicContact CZ-CG2 4.03Å
164F91.2Very high90.6Very high0 Ų029 Ų290%013%0.13CC..EExtended strand (participates in β ladder)trans-119.1148.9167.9-61.3-73.6000109.7C126 V162 S166 T169 Q170 S173 L180 V186 G187 V188 L189C126-F164 HydrophobicContact CB-CD1 3.62Å; C126-F164 HydrophobicContact CB-CE1 3.6Å; V162-F164 HydrophobicContact CB-CE2 4.35Å; V162-F164 HydrophobicContact CB-CZ 4.34Å; V162-F164 HydrophobicContact CG1-CD1 4.41Å; V162-F164 HydrophobicContact CG1-CD2 4.44Å; V162-F164 HydrophobicContact CG1-CE1 3.83Å; V162-F164 HydrophobicContact CG1-CE2 3.9Å; V162-F164 HydrophobicContact CG1-CZ 3.56Å; F164-S166 VanDerWaalsContact C-N 3.26Å; F164-S166 WeakPolarHBondContact CB-O 3.39Å; F164-S166 PolarHBondContact O-N 2.83Å; F164-T169 HydrophobicContact CD1-CG2 3.93Å; F164-Q170 HydrophobicContact CB-CB 3.96Å; F164-Q170 HydrophobicContact CD1-CB 4.42Å; F164-Q170 HydrophobicContact CD2-CB 3.41Å; F164-Q170 VanDerWaalsContact CD2-CB 3.41Å; F164-Q170 HydrophobicContact CD2-CG 3.54Å; F164-Q170 HydrophobicContact CE2-CB 3.94Å; F164-Q170 HydrophobicContact CE2-CG 3.68Å; F164-Q170 HydrophobicContact CG-CB 3.67Å; F164-Q170 HydrophobicContact CG-CG 4.31Å; F164-S173 WeakPolarHBondContact CE1-OG 3.24Å; F164-L180 HydrophobicContact CZ-CD2 4.33Å; F164-V186 HydrophobicContact CD2-CB 4.23Å; F164-V186 HydrophobicContact CE2-CB 3.76Å; F164-V186 HydrophobicContact CE2-CG1 3.88Å; F164-V186 HydrophobicContact CE2-CG2 4.24Å; F164-G187 PolarHBondContact N-O 3.28Å; F164-V188 HydrophobicContact CB-CG2 4.49Å; F164-V188 CarbonylContact O-C 3.51Å; F164-V188 WeakPolarHBondContact O-CA 3.32Å; F164-L189 PolarHBondContact O-N 3.5Å
165N91.9Very high90.2Very high12 Ų1232 Ų326%0.06414%0.141CC..SBendtrans-75.1-14.3175.760.4-4.3000113.7Y125 H127 T169 Y190 P191 F319Y125-N165 HydrophobicContact CE1-CB 4.23Å; Y125-N165 WeakPolarHBondContact OH-CA 3.13Å; H127-N165 PolarHBondContact O-ND2 2.86Å; H127-N165 PolarHBondContact O-OD1 2.86Å; N165-T169 WeakPolarHBondContact OD1-CB 3.22Å; N165-T169 PolarHBondContact OD1-OG1 3.12Å; N165-Y190 VanDerWaalsContact O-CD1 3.27Å; N165-Y190 WeakPolarHBondContact O-CD1 3.49Å; N165-P191 HydrophobicContact CB-CG 3.97Å; N165-F319 VanDerWaalsContact O-CD2 3.29Å; N165-F319 WeakPolarHBondContact O-CD2 3.44Å
166S89.2Confident89.9Confident0 Ų033.5 Ų33.50%015%0.15CC..SBendtrans-159.2160.1179.769.20000110.6F164 F168 T169 Q170 H318 E343F164-S166 VanDerWaalsContact C-N 3.26Å; F164-S166 WeakPolarHBondContact CB-O 3.39Å; F164-S166 PolarHBondContact O-N 2.83Å; S166-F168 VanDerWaalsContact C-N 3.28Å; S166-T169 PolarHBondContact O-N 3.13Å; S166-T169 WeakPolarHBondContact OG-CB 3.49Å; S166-T169 PolarHBondContact OG-N 3.45Å; S166-T169 PolarHBondContact OG-OG1 3.28Å; S166-Q170 PolarHBondContact O-N 3.38Å; S166-H318 VanDerWaalsContact CB-O 3.24Å; S166-H318 WeakPolarHBondContact CB-O 3.23Å; S166-H318 PolarHBondContact OG-O 2.83Å; S166-E343 VanDerWaalsContact CB-OE1 3.29Å; S166-E343 WeakPolarHBondContact CB-OE1 3.13Å
167H87Confident89.7Confident39 Ų3933.6 Ų33.618%0.18115%0.15CC..Hα-helixtrans-64.3-35.1169.5-73.6-69.1000111.8Q170 E171 V188 Y190 E343 A471H167-Q170 WeakPolarHBondContact O-CB 3.42Å; H167-Q170 PolarHBondContact O-N 2.95Å; H167-E171 PolarHBondContact O-N 3.37Å; H167-V188 HydrophobicContact CB-CG2 4.45Å; H167-V188 WeakPolarHBondContact ND1-CG2 3.42Å; H167-Y190 PolarHBondContact CD2-OH 3.13Å; H167-Y190 VanDerWaalsContact CD2-OH 3.28Å; H167-E343 WeakPolarHBondContact CA-OE1 3.49Å; H167-E343 WeakPolarHBondContact CB-OE1 3.44Å; H167-E343 WeakPolarHBondContact CB-OE2 3.11Å; H167-E343 IonicContact CD2-OE2 2.72Å; H167-E343 PolarHBondContact CD2-OE2 2.7Å; H167-E343 VanDerWaalsContact CD2-OE2 3.25Å; H167-E343 IonicContact CG-OE2 3.92Å; H167-E343 PolarHBondContact N-OE1 3.33Å; H167-E343 PolarHBondContact N-OE2 2.84Å; H167-A471 HydrophobicContact CB-CB 4Å; H167-A471 PolarHBondContact CE1-O 2.71Å; H167-A471 PolarHBondContact ND1-O 3.19Å
168F88.1Confident89.6Confident31 Ų3141.2 Ų41.214%0.13618%0.181CC..Hα-helixtrans-55.7-52.8171.7170.8-104.4000111.7F128 S166 Q170 E171 V172 E316 E343F128-F168 AromaticContact CE2-CE1 3.97Å; F128-F168 HydrophobicContact CE2-CE1 3.97Å; S166-F168 VanDerWaalsContact C-N 3.28Å; F168-Q170 VanDerWaalsContact C-N 3.29Å; F168-Q170 PolarHBondContact O-N 3.02Å; F168-E171 PolarHBondContact O-N 3.44Å; F168-V172 HydrophobicContact CD2-CG2 4.2Å; F168-V172 HydrophobicContact CE1-CG2 4.16Å; F168-V172 HydrophobicContact CE2-CG2 3.79Å; F168-V172 HydrophobicContact CZ-CG2 3.77Å; F168-V172 WeakPolarHBondContact O-CG2 3.37Å; F168-V172 PolarHBondContact O-N 3.43Å; F168-E316 WeakPolarHBondContact CE1-O 3.34Å; F168-E316 HydrophobicContact CZ-CB 3.93Å; F168-E316 HydrophobicContact CZ-CG 4.2Å; F168-E343 PolarHBondContact N-OE1 2.98Å
169T88.9Confident89.2Confident0 Ų042 Ų420%019%0.185CC..Hα-helixtrans-62.2-38.8178.4-61.20000111.3H127 F128 F164 N165 S166 E171 S173 H318H127-T169 WeakPolarHBondContact O-CG2 3.48Å; F128-T169 HydrophobicContact CD2-CG2 3.97Å; F164-T169 HydrophobicContact CD1-CG2 3.93Å; N165-T169 WeakPolarHBondContact OD1-CB 3.22Å; N165-T169 PolarHBondContact OD1-OG1 3.12Å; S166-T169 PolarHBondContact O-N 3.13Å; S166-T169 WeakPolarHBondContact OG-CB 3.49Å; S166-T169 PolarHBondContact OG-N 3.45Å; S166-T169 PolarHBondContact OG-OG1 3.28Å; T169-E171 PolarHBondContact O-N 3.49Å; T169-S173 WeakPolarHBondContact O-CB 3.34Å; T169-S173 PolarHBondContact O-N 3.42Å; T169-S173 PolarHBondContact O-OG 3.09Å; T169-H318 PolarHBondContact OG1-O 3.48Å
170Q90.2Very high88.7Confident29 Ų2942.4 Ų42.414%0.13619%0.186CC..Hα-helixtrans-58.4-47.2174.8175.5179.6-33.800111.7F164 S166 H167 F168 S173 R174 V186F164-Q170 HydrophobicContact CB-CB 3.96Å; F164-Q170 HydrophobicContact CD1-CB 4.42Å; F164-Q170 HydrophobicContact CD2-CB 3.41Å; F164-Q170 VanDerWaalsContact CD2-CB 3.41Å; F164-Q170 HydrophobicContact CD2-CG 3.54Å; F164-Q170 HydrophobicContact CE2-CB 3.94Å; F164-Q170 HydrophobicContact CE2-CG 3.68Å; F164-Q170 HydrophobicContact CG-CB 3.67Å; F164-Q170 HydrophobicContact CG-CG 4.31Å; S166-Q170 PolarHBondContact O-N 3.38Å; H167-Q170 WeakPolarHBondContact O-CB 3.42Å; H167-Q170 PolarHBondContact O-N 2.95Å; F168-Q170 VanDerWaalsContact C-N 3.29Å; F168-Q170 PolarHBondContact O-N 3.02Å; Q170-S173 PolarHBondContact O-N 3.17Å; Q170-R174 WeakPolarHBondContact O-CB 3.23Å; Q170-R174 WeakPolarHBondContact O-CG 3.43Å; Q170-R174 PolarHBondContact O-N 3.21Å; Q170-V186 HydrophobicContact CG-CG2 4.3Å
171E85.4Confident87.8Confident110 Ų11048.2 Ų48.251%0.51421%0.205SC..Hα-helixtrans-65.5-48-179.1-169.4-167.7149.300111.5H167 F168 T169 S173 R174 R175H167-E171 PolarHBondContact O-N 3.37Å; F168-E171 PolarHBondContact O-N 3.44Å; T169-E171 PolarHBondContact O-N 3.49Å; E171-S173 VanDerWaalsContact C-N 3.34Å; E171-S173 PolarHBondContact O-N 2.96Å; E171-R174 PolarHBondContact O-N 3.26Å; E171-R175 WeakPolarHBondContact O-CG 3.39Å; E171-R175 PolarHBondContact O-N 3.26Å; E171-R175 IonicContact OE1-CZ 2.9Å; E171-R175 IonicContact OE1-NH1 3.14Å; E171-R175 IonicContact OE1-NH2 3.97Å
172V87.6Confident86.8Confident11 Ų1153.6 Ų53.67%0.06724%0.243CC..Hα-helixtrans-57-49.8175.1173.70000110.1F128 L132 F168 R174 R175 V176F128-V172 HydrophobicContact CE2-CB 4.33Å; F128-V172 HydrophobicContact CE2-CG1 3.97Å; F128-V172 HydrophobicContact CZ-CG1 3.91Å; L132-V172 HydrophobicContact CD1-CG1 3.4Å; F168-V172 HydrophobicContact CD2-CG2 4.2Å; F168-V172 HydrophobicContact CE1-CG2 4.16Å; F168-V172 HydrophobicContact CE2-CG2 3.79Å; F168-V172 HydrophobicContact CZ-CG2 3.77Å; F168-V172 WeakPolarHBondContact O-CG2 3.37Å; F168-V172 PolarHBondContact O-N 3.43Å; V172-R174 VanDerWaalsContact C-N 3.33Å; V172-R174 PolarHBondContact O-N 3.04Å; V172-R175 PolarHBondContact O-N 2.88Å; V172-R175 VanDerWaalsContact O-N 3.09Å; V172-V176 HydrophobicContact CG1-CG2 4.12Å; V172-V176 WeakPolarHBondContact O-CB 3.24Å; V172-V176 WeakPolarHBondContact O-CG2 3.39Å; V172-V176 PolarHBondContact O-N 2.86Å
173S89.5Confident85.8Confident0 Ų058 Ų580%027%0.274CS..Hα-helixtrans-62.6-37.8-177.9-62.30000112.7F164 T169 Q170 E171 R175 V176 F177F164-S173 WeakPolarHBondContact CE1-OG 3.24Å; T169-S173 WeakPolarHBondContact O-CB 3.34Å; T169-S173 PolarHBondContact O-N 3.42Å; T169-S173 PolarHBondContact O-OG 3.09Å; Q170-S173 PolarHBondContact O-N 3.17Å; E171-S173 VanDerWaalsContact C-N 3.34Å; E171-S173 PolarHBondContact O-N 2.96Å; S173-R175 VanDerWaalsContact C-N 3.31Å; S173-R175 PolarHBondContact O-N 2.9Å; S173-V176 PolarHBondContact O-N 3.1Å; S173-F177 WeakPolarHBondContact O-CB 3.41Å; S173-F177 VanDerWaalsContact O-CD2 3.3Å; S173-F177 WeakPolarHBondContact O-CD2 3.3Å; S173-F177 PolarHBondContact O-N 3.34Å
174R84.2Confident85.1Confident131 Ų13158.5 Ų58.549%0.49428%0.277SS..Hα-helixtrans-67.3-29.9175.7-81.8-171.7171.2174.7-0.2113.6Q170 E171 V172Q170-R174 WeakPolarHBondContact O-CB 3.23Å; Q170-R174 WeakPolarHBondContact O-CG 3.43Å; Q170-R174 PolarHBondContact O-N 3.21Å; E171-R174 PolarHBondContact O-N 3.26Å; V172-R174 VanDerWaalsContact C-N 3.33Å; V172-R174 PolarHBondContact O-N 3.04Å
175R84.8Confident84.9Confident159 Ų15960.6 Ų60.660%0.629%0.291SS*.Hα-helixtrans-75.9-36174.4-68.6-177.9-68.4-178.80.1111.7E171 V172 S173E171-R175 WeakPolarHBondContact O-CG 3.39Å; E171-R175 PolarHBondContact O-N 3.26Å; E171-R175 IonicContact OE1-CZ 2.9Å; E171-R175 IonicContact OE1-NH1 3.14Å; E171-R175 IonicContact OE1-NH2 3.97Å; V172-R175 PolarHBondContact O-N 2.88Å; V172-R175 VanDerWaalsContact O-N 3.09Å; S173-R175 VanDerWaalsContact C-N 3.31Å; S173-R175 PolarHBondContact O-N 2.9Å
176V87.1Confident84.6Confident31 Ų3160.8 Ų60.819%0.18829%0.292CS..Hα-helixtrans-82-49.1-173.7173.30000112.2P129 M131 L132 V172 S173 K178P129-V176 HydrophobicContact CB-CG1 4.07Å; P129-V176 HydrophobicContact CG-CB 4.45Å; P129-V176 HydrophobicContact CG-CG1 4.34Å; M131-V176 HydrophobicContact CE-CG1 4.01Å; M131-V176 HydrophobicContact CG-CG1 3.68Å; M131-V176 HydrophobicContact SD-CG1 3.18Å; M131-V176 WeakPolarHBondContact SD-CG1 3.28Å; L132-V176 HydrophobicContact CD1-CG2 3.8Å; L132-V176 HydrophobicContact CD2-CG2 4.3Å; L132-V176 HydrophobicContact CG-CG2 4.21Å; V172-V176 HydrophobicContact CG1-CG2 4.12Å; V172-V176 WeakPolarHBondContact O-CB 3.24Å; V172-V176 WeakPolarHBondContact O-CG2 3.39Å; V172-V176 PolarHBondContact O-N 2.86Å; S173-V176 PolarHBondContact O-N 3.1Å; V176-K178 PolarHBondContact O-N 3.47Å; V176-K178 VanDerWaalsContact O-N 3.13Å
177F88.7Confident84.4Confident2 Ų261.3 Ų61.31%0.00930%0.298CS..  trans-84.686.4-177.5-59.5-53000111.6P129 M131 E152 D153 M156 S173 H179 L180P129-F177 HydrophobicContact CB-CE1 4.14Å; P129-F177 HydrophobicContact CB-CE2 4.11Å; P129-F177 HydrophobicContact CB-CZ 3.59Å; P129-F177 HydrophobicContact CG-CE2 3.77Å; P129-F177 HydrophobicContact CG-CZ 3.8Å; M131-F177 HydrophobicContact CE-CD1 3.9Å; M131-F177 HydrophobicContact CE-CE1 3.73Å; E152-F177 HydrophobicContact CG-CE1 3.92Å; E152-F177 HydrophobicContact CG-CZ 4.47Å; D153-F177 HydrophobicContact CB-CD1 4.25Å; D153-F177 WeakPolarHBondContact OD1-CA 3.31Å; M156-F177 HydrophobicContact CB-CG 4.49Å; M156-F177 HydrophobicContact CE-CD2 4.05Å; M156-F177 HydrophobicContact CE-CE2 3.96Å; M156-F177 HydrophobicContact CG-CD1 3.96Å; M156-F177 HydrophobicContact CG-CD2 4.08Å; M156-F177 HydrophobicContact CG-CE1 4.01Å; M156-F177 HydrophobicContact CG-CE2 4.15Å; M156-F177 HydrophobicContact CG-CG 3.98Å; M156-F177 HydrophobicContact CG-CZ 4.1Å; M156-F177 HydrophobicContact SD-CE2 4.38Å; M156-F177 HydrophobicContact SD-CZ 4.48Å; S173-F177 WeakPolarHBondContact O-CB 3.41Å; S173-F177 VanDerWaalsContact O-CD2 3.3Å; S173-F177 WeakPolarHBondContact O-CD2 3.3Å; S173-F177 PolarHBondContact O-N 3.34Å; F177-H179 PolarHBondContact O-N 3.47Å; F177-L180 HydrophobicContact CB-CB 3.8Å; F177-L180 WeakPolarHBondContact O-CB 3.5Å; F177-L180 PolarHBondContact O-N 3.48Å; F177-L180 VanDerWaalsContact O-N 3.1Å
178K85.7Confident84.5Confident182 Ų18261.1 Ų61.179%0.79130%0.299SS*.THydrogen-bonded Turntrans-61.8-27.7-178.5-60.2-177.9-177.2179.50113.3D153 V176D153-K178 PolarHBondContact OD1-N 2.91Å; V176-K178 PolarHBondContact O-N 3.47Å; V176-K178 VanDerWaalsContact O-N 3.13Å
179H86.3Confident84.6Confident77 Ų7760.2 Ų60.236%0.35630%0.296SS..THydrogen-bonded Turntrans-88.1-8.7178.8-67.490.4000113.4D153 S157 F177 R181D153-H179 VanDerWaalsContact CG-ND1 3.29Å; D153-H179 IonicContact OD1-CG 3.13Å; D153-H179 PolarHBondContact OD1-N 3.03Å; D153-H179 IonicContact OD1-ND1 3.38Å; D153-H179 IonicContact OD2-CE1 3.78Å; D153-H179 IonicContact OD2-CG 2.67Å; D153-H179 IonicContact OD2-ND1 3.73Å; D153-H179 PolarHBondContact OD2-ND1 3.43Å; S157-H179 VanDerWaalsContact CB-O 3.32Å; S157-H179 WeakPolarHBondContact CB-O 3.47Å; F177-H179 PolarHBondContact O-N 3.47Å; H179-R181 VanDerWaalsContact C-N 3.32Å; H179-R181 PolarHBondContact O-N 2.88Å
180L83Confident84.7Confident17 Ų1762.6 Ų62.69%0.08931%0.305CS..SBendtrans-69.192.4171.4-17763.3000108.8M156 V162 F164 F177 V184M156-L180 HydrophobicContact CB-CD1 4.49Å; V162-L180 HydrophobicContact CG2-CD1 4.02Å; F164-L180 HydrophobicContact CZ-CD2 4.33Å; F177-L180 HydrophobicContact CB-CB 3.8Å; F177-L180 WeakPolarHBondContact O-CB 3.5Å; F177-L180 PolarHBondContact O-N 3.48Å; F177-L180 VanDerWaalsContact O-N 3.1Å; L180-V184 HydrophobicContact CD1-CB 3.89Å; L180-V184 HydrophobicContact CD1-CG1 3.91Å; L180-V184 HydrophobicContact CD1-CG2 4.12Å
181R74.3Confident84.8Confident157 Ų15762 Ų6259%0.59230%0.304SS*.  trans-56.2139.9-174.7-58.7178.7-177.6178.4-1.6109.8H179 S183 V184H179-R181 VanDerWaalsContact C-N 3.32Å; H179-R181 PolarHBondContact O-N 2.88Å; R181-S183 WeakPolarHBondContact CB-OG 3.48Å; R181-S183 PolarHBondContact O-N 3.25Å; R181-V184 HydrophobicContact CB-CG2 4.25Å; R181-V184 WeakPolarHBondContact O-CB 3.4Å; R181-V184 PolarHBondContact O-N 2.75Å
182P72Confident85.1Confident133 Ų13357.2 Ų57.286%0.86428%0.283SS*.THydrogen-bonded Turntrans-55.8-19.6174.2-26.834.6000114.3
183S72.5Confident85.1Confident92 Ų9256.9 Ų56.964%0.64328%0.28SS*.THydrogen-bonded Turntrans-77.3-17.5175.863.10000114.4R181 P185R181-S183 WeakPolarHBondContact CB-OG 3.48Å; R181-S183 PolarHBondContact O-N 3.25Å; S183-P185 VanDerWaalsContact O-CD 3.25Å; S183-P185 WeakPolarHBondContact O-CD 3.41Å
184V80.1Confident84.5Confident15 Ų1558.9 Ų58.99%0.09129%0.294CS..SBendtrans-69.7119.2176.6178.80000107.8V162 L180 R181V162-V184 HydrophobicContact CG2-CG1 4.05Å; L180-V184 HydrophobicContact CD1-CB 3.89Å; L180-V184 HydrophobicContact CD1-CG1 3.91Å; L180-V184 HydrophobicContact CD1-CG2 4.12Å; R181-V184 HydrophobicContact CB-CG2 4.25Å; R181-V184 WeakPolarHBondContact O-CB 3.4Å; R181-V184 PolarHBondContact O-N 2.75Å
185P85.4Confident84Confident44 Ų4456.9 Ų56.929%0.28629%0.29SS..  trans-63.2138.4176.7-18.531.6000110.7D160 Y161 V162 S183 Y405D160-P185 WeakPolarHBondContact O-CD 3.5Å; Y161-P185 WeakPolarHBondContact CA-O 3.37Å; Y161-P185 HydrophobicContact CD2-CB 3.63Å; Y161-P185 HydrophobicContact CE2-CB 3.85Å; V162-P185 PolarHBondContact N-O 3.44Å; S183-P185 VanDerWaalsContact O-CD 3.25Å; S183-P185 WeakPolarHBondContact O-CD 3.41Å; P185-Y405 VanDerWaalsContact CB-OH 3.26Å; P185-Y405 WeakPolarHBondContact CB-OH 3.46Å; P185-Y405 WeakPolarHBondContact CG-OH 3.39Å
186V86.8Confident83.3Confident16 Ų1652.1 Ų52.110%0.09728%0.281CS..EExtended strand (participates in β ladder)trans-132.6156.6177.1-48.30000110.4V162 F164 Q170V162-V186 HydrophobicContact CB-CG1 4.13Å; V162-V186 CarbonylContact O-C 3.52Å; V162-V186 WeakPolarHBondContact O-CA 3.03Å; F164-V186 HydrophobicContact CD2-CB 4.23Å; F164-V186 HydrophobicContact CE2-CB 3.76Å; F164-V186 HydrophobicContact CE2-CG1 3.88Å; F164-V186 HydrophobicContact CE2-CG2 4.24Å; Q170-V186 HydrophobicContact CG-CG2 4.3Å
187G84.4Confident82.7Confident12 Ų1251.5 Ų51.512%0.12428%0.277CS..EExtended strand (participates in β ladder)trans-153.1161.5168.200000112Y161 V162 F163 F164Y161-G187 WeakPolarHBondContact OH-CA 3.46Å; Y161-G187 PolarHBondContact OH-N 3.47Å; V162-G187 PolarHBondContact O-N 2.9Å; F163-G187 CarbonylContact C-O 3.54Å; F163-G187 VanDerWaalsContact CA-O 3.3Å; F163-G187 WeakPolarHBondContact CA-O 3.18Å; F164-G187 PolarHBondContact N-O 3.28Å
188V88.7Confident81.9Confident34 Ų3453.8 Ų53.821%0.20629%0.289CS..EExtended strand (participates in β ladder)trans-93.8129.1172.4177.70000108.7F164 H167 Y190F164-V188 HydrophobicContact CB-CG2 4.49Å; F164-V188 CarbonylContact O-C 3.51Å; F164-V188 WeakPolarHBondContact O-CA 3.32Å; H167-V188 HydrophobicContact CB-CG2 4.45Å; H167-V188 WeakPolarHBondContact ND1-CG2 3.42Å; V188-Y190 HydrophobicContact CG1-CD1 3.71Å; V188-Y190 HydrophobicContact CG1-CD2 4.47Å; V188-Y190 HydrophobicContact CG1-CE1 3.38Å; V188-Y190 HydrophobicContact CG1-CE2 4.16Å; V188-Y190 HydrophobicContact CG1-CG 4.25Å
189L90.1Very high81.1Confident12 Ų1251.7 Ų51.76%0.06329%0.287CS..  trans-127.596.2172.9178.659.9000108Y125 F163 F164 F395 M399Y125-L189 HydrophobicContact CE2-CB 4.12Å; Y125-L189 HydrophobicContact CE2-CD2 4.14Å; Y125-L189 HydrophobicContact CE2-CG 4.34Å; Y125-L189 PolarHBondContact OH-O 3.08Å; F163-L189 HydrophobicContact CD1-CB 3.49Å; F163-L189 VanDerWaalsContact CD1-CB 3.49Å; F163-L189 HydrophobicContact CD1-CD2 4.37Å; F163-L189 HydrophobicContact CD2-CD2 4.43Å; F163-L189 HydrophobicContact CE1-CB 3.76Å; F163-L189 HydrophobicContact CE1-CD2 4.22Å; F163-L189 HydrophobicContact CE2-CD2 4.27Å; F163-L189 HydrophobicContact CG-CB 4.07Å; F163-L189 HydrophobicContact CG-CD2 4.47Å; F163-L189 HydrophobicContact CZ-CD2 4.15Å; F164-L189 PolarHBondContact O-N 3.5Å; L189-F395 HydrophobicContact CD1-CD2 3.83Å; L189-F395 HydrophobicContact CD1-CE2 4.26Å; L189-F395 HydrophobicContact CD2-CD2 4.06Å; L189-F395 HydrophobicContact CD2-CE2 3.71Å; L189-F395 HydrophobicContact CD2-CZ 4.12Å; L189-F395 HydrophobicContact CG-CD2 3.67Å; L189-F395 HydrophobicContact CG-CE2 3.58Å; L189-F395 HydrophobicContact CG-CZ 4.46Å; L189-M399 HydrophobicContact CD2-CG 4.06Å; L189-M399 HydrophobicContact CD2-SD 3.43Å; L189-M399 WeakPolarHBondContact CD2-SD 3.28Å
190Y91.4Very high80.3Confident50 Ų5053.2 Ų53.220%0.19629%0.289CS..PPolyproline II helixtrans-62135-174.6-62.5-60.8000112.9N165 H167 V188 C192 F319 E343 F390 F395N165-Y190 VanDerWaalsContact O-CD1 3.27Å; N165-Y190 WeakPolarHBondContact O-CD1 3.49Å; H167-Y190 PolarHBondContact CD2-OH 3.13Å; H167-Y190 VanDerWaalsContact CD2-OH 3.28Å; V188-Y190 HydrophobicContact CG1-CD1 3.71Å; V188-Y190 HydrophobicContact CG1-CD2 4.47Å; V188-Y190 HydrophobicContact CG1-CE1 3.38Å; V188-Y190 HydrophobicContact CG1-CE2 4.16Å; V188-Y190 HydrophobicContact CG1-CG 4.25Å; Y190-C192 PolarHBondContact O-N 3.37Å; Y190-F319 HydrophobicContact CD1-CD2 4.2Å; Y190-F319 AromaticContact CD1-CE2 3.43Å; Y190-F319 HydrophobicContact CD1-CE2 3.43Å; Y190-F319 VanDerWaalsContact CD1-CE2 3.43Å; Y190-F319 HydrophobicContact CD1-CZ 4.17Å; Y190-F319 HydrophobicContact CE1-CE2 4.16Å; Y190-F319 HydrophobicContact CG-CE2 4.17Å; Y190-F319 HydrophobicContact CG-CZ 4.5Å; Y190-E343 HydrophobicContact CE1-CB 4.37Å; Y190-E343 WeakPolarHBondContact CE1-OE2 3.49Å; Y190-E343 PolarHBondContact OH-OE2 3.06Å; Y190-F390 AromaticContact CD1-CE1 3.98Å; Y190-F390 HydrophobicContact CD1-CE1 3.98Å; Y190-F390 HydrophobicContact CD2-CD1 4.42Å; Y190-F390 AromaticContact CD2-CE1 3.96Å; Y190-F390 HydrophobicContact CD2-CE1 3.96Å; Y190-F390 HydrophobicContact CG-CD1 4.03Å; Y190-F390 AromaticContact CG-CE1 3.65Å; Y190-F390 HydrophobicContact CG-CE1 3.65Å; Y190-F395 WeakPolarHBondContact O-CD2 3.43Å
191P92.9Very high79.4Confident17 Ų1760.6 Ų60.611%0.1132%0.323CS..PPolyproline II helixtrans-51.7137.7168.6-21.428.4000111.3L22 N165 F319L22-P191 HydrophobicContact CD1-CB 4.16Å; L22-P191 HydrophobicContact CD1-CG 3.73Å; N165-P191 HydrophobicContact CB-CG 3.97Å; P191-F319 HydrophobicContact CB-CD1 4.05Å; P191-F319 HydrophobicContact CB-CE1 3.72Å; P191-F319 HydrophobicContact CB-CZ 4.47Å; P191-F319 VanDerWaalsContact CD-CE1 3.5Å; P191-F319 HydrophobicContact CG-CD1 3.53Å; P191-F319 HydrophobicContact CG-CE1 3.59Å; P191-F319 HydrophobicContact CG-CG 4.1Å; P191-F319 HydrophobicContact CG-CZ 4.23Å
192C90.8Very high78.8Confident10 Ų1055 Ų557%0.06831%0.311CS..PPolyproline II helixtrans-85.7152.7176.152.40000112.7Y190 F390 F395Y190-C192 PolarHBondContact O-N 3.37Å; C192-F390 CarbonylContact C-O 3.6Å; C192-F390 WeakPolarHBondContact CA-O 3.39Å; C192-F390 WeakPolarHBondContact CB-O 3.42Å; C192-F395 HydrophobicContact CB-CB 3.86Å; C192-F395 HydrophobicContact CB-CG 4.32Å
193I89.2Confident78.5Confident4 Ų455.2 Ų55.22%0.02130%0.3CS..PPolyproline II helixtrans-70.8143.6168.6-161.864.4000110.2E195 L197 L198 I321 L324 E325 C328 T386 F390I193-E195 PolarHBondContact O-N 3.41Å; I193-L197 HydrophobicContact CD1-CD1 4.26Å; I193-L198 HydrophobicContact CG2-CD1 4.28Å; I193-I321 HydrophobicContact CD1-CD1 4.33Å; I193-L324 HydrophobicContact CD1-CB 4.17Å; I193-E325 HydrophobicContact CD1-CB 4.3Å; I193-E325 HydrophobicContact CD1-CG 3.64Å; I193-C328 HydrophobicContact CG1-CB 4.32Å; I193-T386 HydrophobicContact CB-CG2 4.41Å; I193-T386 HydrophobicContact CG2-CG2 4.3Å; I193-F390 PolarHBondContact N-O 2.97Å
194S76.4Confident78.2Confident42 Ų4259 Ų5929%0.29431%0.313SS..PPolyproline II helixtrans-64132.6178.9-176.80000111.4S196 L197S194-S196 PolarHBondContact O-N 3.15Å; S194-S196 VanDerWaalsContact O-N 3.17Å; S194-S196 PolarHBondContact OG-N 3.26Å; S194-S196 PolarHBondContact OG-OG 3.01Å; S194-L197 PolarHBondContact O-N 3.23Å
195E72.4Confident78.3Confident88 Ų8860.1 Ų60.141%0.41132%0.32SS..Hα-helixtrans-59.6-24.4173-68.3177.3-16200112K32 I193 L198 N199 S392K32-E195 IonicContact NZ-OE1 3.96Å; K32-E195 PolarHBondContact NZ-OE1 3.47Å; I193-E195 PolarHBondContact O-N 3.41Å; E195-L198 PolarHBondContact O-N 2.86Å; E195-N199 PolarHBondContact O-N 3.21Å; E195-N199 PolarHBondContact O-ND2 3.46Å; E195-S392 VanDerWaalsContact OE1-CB 3.28Å; E195-S392 WeakPolarHBondContact OE1-CB 3.41Å; E195-S392 PolarHBondContact OE1-OG 3.44Å
196S70.9Confident78.3Confident59 Ų5960.1 Ų60.141%0.41332%0.321SS..Hα-helixtrans-64.5-39.8176.963.10000112.6S194 L198 N199 R200S194-S196 PolarHBondContact O-N 3.15Å; S194-S196 VanDerWaalsContact O-N 3.17Å; S194-S196 PolarHBondContact OG-N 3.26Å; S194-S196 PolarHBondContact OG-OG 3.01Å; S196-L198 VanDerWaalsContact C-N 3.26Å; S196-L198 PolarHBondContact O-N 3.44Å; S196-N199 PolarHBondContact O-N 3.13Å; S196-R200 WeakPolarHBondContact O-CB 3.2Å; S196-R200 PolarHBondContact O-N 3.24Å; S196-R200 VanDerWaalsContact O-N 3.08Å
197L74.7Confident78.5Confident19 Ų1961.2 Ų61.210%0.09933%0.326CS..Hα-helixtrans-67.4-27.7178.5-87.3148.3000112.4I193 S194 L301 E325I193-L197 HydrophobicContact CD1-CD1 4.26Å; S194-L197 PolarHBondContact O-N 3.23Å; L197-L301 HydrophobicContact CD2-CD1 4.3Å; L197-E325 HydrophobicContact CD1-CG 3.93Å
198L71.2Confident78.7Confident50 Ų5066 Ų6626%0.26235%0.345SS..Hα-helixtrans-73.5-32.8179.9-75168.7000113.2I193 E195 S196 C328 L387I193-L198 HydrophobicContact CG2-CD1 4.28Å; E195-L198 PolarHBondContact O-N 2.86Å; S196-L198 VanDerWaalsContact C-N 3.26Å; S196-L198 PolarHBondContact O-N 3.44Å; L198-C328 WeakPolarHBondContact CD2-SG 3.44Å; L198-L387 HydrophobicContact CD1-CD2 4.06Å; L198-L387 HydrophobicContact CD2-CD2 3.45Å; L198-L387 VanDerWaalsContact CD2-CD2 3.45Å; L198-L387 HydrophobicContact CD2-CG 4.48Å; L198-L387 HydrophobicContact CG-CD2 4.43Å
199N68.8Low78.7Confident137 Ų13769.8 Ų69.873%0.73337%0.365SS*.Hα-helixtrans-105.1-14.1-171.4-64.9-36.2000113.5E195 S196E195-N199 PolarHBondContact O-N 3.21Å; E195-N199 PolarHBondContact O-ND2 3.46Å; S196-N199 PolarHBondContact O-N 3.13Å
200R69.4Low78.6Confident109 Ų10969.8 Ų69.841%0.41137%0.365SS..  trans-86.5125.6-176.7-161167.6-175.8156.21.5109.5S196 D298 L301S196-R200 WeakPolarHBondContact O-CB 3.2Å; S196-R200 PolarHBondContact O-N 3.24Å; S196-R200 VanDerWaalsContact O-N 3.08Å; R200-D298 IonicContact CZ-OD1 3.64Å; R200-D298 VanDerWaalsContact CZ-OD1 3.22Å; R200-D298 IonicContact NE-OD1 2.85Å; R200-D298 PolarHBondContact NE-OD1 3.48Å; R200-D298 IonicContact NH2-OD1 3.14Å; R200-D298 PolarHBondContact NH2-OD1 2.97Å; R200-D298 IonicContact NH2-OD2 3.22Å; R200-D298 PolarHBondContact NH2-OD2 3.06Å; R200-D298 VanDerWaalsContact NH2-OD2 3.15Å; R200-L301 HydrophobicContact CB-CD2 4.09Å; R200-L301 HydrophobicContact CG-CD2 4.01Å; R200-L301 WeakPolarHBondContact O-CD2 3.43Å
201Q65.7Low78.6Confident173 Ų17369.6 Ų69.681%0.80838%0.378SS*.  trans-90.7147.3164.4-67.9-175.4-19.800107.9E203Q201-E203 PolarHBondContact O-N 2.98Å
202A60.8Low78.6Confident40 Ų4069 Ų6933%0.33137%0.374SS..  trans-61.6110.7173.800000108.6N204 L301 A302A202-N204 PolarHBondContact O-N 3.46Å; A202-N204 VanDerWaalsContact O-N 3.15Å; A202-L301 HydrophobicContact CB-CD2 4.29Å; A202-L301 HydrophobicContact CB-CG 4.21Å; A202-A302 HydrophobicContact CB-CB 4.27Å
203E65.1Low78.6Confident137 Ų13771.3 Ų71.364%0.6439%0.389SS*.  trans-67.9107.5175.6-69.7-175.3173.900108.9Q201 V205Q201-E203 PolarHBondContact O-N 2.98Å; E203-V205 VanDerWaalsContact O-CG2 3.31Å; E203-V205 WeakPolarHBondContact O-CG2 3.47Å; E203-V205 PolarHBondContact O-N 3.42Å
204N68.2Low78.6Confident170 Ų17075.7 Ų75.791%0.90942%0.42SS*.SBendtrans32.329.3166.2-68.3-16.1000119A202A202-N204 PolarHBondContact O-N 3.46Å; A202-N204 VanDerWaalsContact O-N 3.15Å
205V81.4Confident79.1Confident40 Ų4076.7 Ų76.724%0.24244%0.437CS..  trans-91.7115.6173.8179.20000107.5E203 D209 D298 A302E203-V205 VanDerWaalsContact O-CG2 3.31Å; E203-V205 WeakPolarHBondContact O-CG2 3.47Å; E203-V205 PolarHBondContact O-N 3.42Å; V205-D209 HydrophobicContact CG1-CB 4.07Å; V205-D298 HydrophobicContact CG2-CB 4.31Å; V205-A302 HydrophobicContact CB-CB 4Å; V205-A302 HydrophobicContact CG1-CB 4.08Å
206S86.2Confident80Confident44 Ų4474.5 Ų74.531%0.30843%0.426SS..  trans-78.6163.8175.169.80000111.6E208 D209 C210S206-E208 WeakPolarHBondContact CB-OE2 3.37Å; S206-E208 PolarHBondContact O-N 2.94Å; S206-D209 WeakPolarHBondContact CB-OD2 3.39Å; S206-D209 PolarHBondContact N-OD2 3.1Å; S206-D209 WeakPolarHBondContact O-CB 3.46Å; S206-D209 PolarHBondContact O-N 3.25Å; S206-D209 PolarHBondContact OG-N 3.35Å; S206-D209 VanDerWaalsContact OG-N 3.12Å; S206-D209 PolarHBondContact OG-OD2 2.97Å; S206-C210 PolarHBondContact O-N 3.32Å; S206-C210 PolarHBondContact O-SG 3.22Å
207L88.9Confident80.9Confident38 Ų3880 Ų8020%0.19944%0.438CS..THydrogen-bonded Turntrans-67.9-30.8174.5-66.2173.1000111.2D209 C210 G211 I212 I219 N306L207-D209 VanDerWaalsContact C-N 3.34Å; L207-C210 CarbonylContact O-C 3.56Å; L207-C210 WeakPolarHBondContact O-CA 3.4Å; L207-C210 WeakPolarHBondContact O-CB 3.4Å; L207-C210 PolarHBondContact O-N 3.32Å; L207-C210 VanDerWaalsContact O-N 3.08Å; L207-G211 PolarHBondContact O-N 2.9Å; L207-I212 HydrophobicContact CB-CB 4.17Å; L207-I212 HydrophobicContact CB-CD1 4.09Å; L207-I212 HydrophobicContact CD2-CD1 3.69Å; L207-I212 HydrophobicContact CG-CD1 4.41Å; L207-I212 WeakPolarHBondContact O-CB 3.49Å; L207-I212 PolarHBondContact O-N 2.84Å; L207-I219 HydrophobicContact CD1-CD1 3.83Å; L207-N306 HydrophobicContact CD1-CB 3.99Å; L207-N306 HydrophobicContact CD2-CB 3.6Å; L207-N306 HydrophobicContact CG-CB 4.23Å
208E89.5Confident81.9Confident112 Ų11279.2 Ų79.252%0.52343%0.434SS..THydrogen-bonded Turntrans-63.3-39.4173.5-64.780.8-179.900111.5S206 C210 G211S206-E208 WeakPolarHBondContact CB-OE2 3.37Å; S206-E208 PolarHBondContact O-N 2.94Å; E208-C210 PolarHBondContact O-N 2.77Å; E208-G211 PolarHBondContact O-N 2.9Å
209D88.7Confident83.2Confident115 Ų11577.1 Ų77.162%0.61542%0.423SS*.THydrogen-bonded Turntrans-63.7-25.3173.6-62.1-44.8000112.2V205 S206 L207 G211V205-D209 HydrophobicContact CG1-CB 4.07Å; S206-D209 WeakPolarHBondContact CB-OD2 3.39Å; S206-D209 PolarHBondContact N-OD2 3.1Å; S206-D209 WeakPolarHBondContact O-CB 3.46Å; S206-D209 PolarHBondContact O-N 3.25Å; S206-D209 PolarHBondContact OG-N 3.35Å; S206-D209 VanDerWaalsContact OG-N 3.12Å; S206-D209 PolarHBondContact OG-OD2 2.97Å; L207-D209 VanDerWaalsContact C-N 3.34Å; D209-G211 VanDerWaalsContact C-N 3.26Å
210C88.9Confident84.6Confident12 Ų1270.6 Ų70.68%0.08139%0.388CS..THydrogen-bonded Turntrans-83.30.1174.2-55.50000113S206 L207 E208 I212 L303S206-C210 PolarHBondContact O-N 3.32Å; S206-C210 PolarHBondContact O-SG 3.22Å; L207-C210 CarbonylContact O-C 3.56Å; L207-C210 WeakPolarHBondContact O-CA 3.4Å; L207-C210 WeakPolarHBondContact O-CB 3.4Å; L207-C210 PolarHBondContact O-N 3.32Å; L207-C210 VanDerWaalsContact O-N 3.08Å; E208-C210 PolarHBondContact O-N 2.77Å; C210-I212 HydrophobicContact CB-CD1 4.38Å; C210-I212 HydrophobicContact CB-CG1 4.47Å; C210-L303 HydrophobicContact CB-CD2 3.77Å; C210-L303 HydrophobicContact CB-CG 4.34Å
211G90.6Very high86Confident45 Ų4565.4 Ų65.446%0.46437%0.369SS..THydrogen-bonded Turntrans7818.8-176.900000114.2L207 E208 D209 T290L207-G211 PolarHBondContact O-N 2.9Å; E208-G211 PolarHBondContact O-N 2.9Å; D209-G211 VanDerWaalsContact C-N 3.26Å; G211-T290 WeakPolarHBondContact O-CG2 3.5Å; G211-T290 PolarHBondContact O-OG1 2.86Å
212I92.8Very high87.5Confident5 Ų557.2 Ų57.23%0.02633%0.33CS..PPolyproline II helixtrans-86.8127.6173.3-58.8166000108.2L207 C210 K216 I219 V257 L303L207-I212 HydrophobicContact CB-CB 4.17Å; L207-I212 HydrophobicContact CB-CD1 4.09Å; L207-I212 HydrophobicContact CD2-CD1 3.69Å; L207-I212 HydrophobicContact CG-CD1 4.41Å; L207-I212 WeakPolarHBondContact O-CB 3.49Å; L207-I212 PolarHBondContact O-N 2.84Å; C210-I212 HydrophobicContact CB-CD1 4.38Å; C210-I212 HydrophobicContact CB-CG1 4.47Å; I212-K216 HydrophobicContact CG2-CB 4.31Å; I212-K216 HydrophobicContact CG2-CG 4.22Å; I212-I219 HydrophobicContact CG2-CD1 4.35Å; I212-V257 HydrophobicContact CD1-CG2 3.81Å; I212-V257 HydrophobicContact CG1-CG2 4Å; I212-L303 HydrophobicContact CD1-CD2 3.51Å; I212-L303 HydrophobicContact CG1-CD2 4.48Å
213P91.7Very high89.2Confident59 Ų5956 Ų5638%0.38332%0.318SS..PPolyproline II helixtrans-60.6151.1176.5-21.832.7000112.3K216 H255P213-K216 HydrophobicContact CB-CG 4.43Å; P213-K216 VanDerWaalsContact O-CG 3.3Å; P213-K216 WeakPolarHBondContact O-CG 3.32Å; P213-H255 VanDerWaalsContact CD-CE1 3.44Å; P213-H255 WeakPolarHBondContact CD-CE1 3.37Å
214S88.7Confident90.5Very high95 Ų9549.9 Ų49.966%0.66429%0.29SS*.THydrogen-bonded Turntrans-65.8154.3174.558.90000111.8K216S214-K216 VanDerWaalsContact C-N 3.34Å; S214-K216 PolarHBondContact O-N 3.08Å
215G86.3Confident91.5Very high64 Ų6448.7 Ų48.766%0.6627%0.273SS*.THydrogen-bonded Turntrans82.90.1176.700000115.8R217G215-R217 PolarHBondContact O-N 3.07Å
216K92Very high92.1Very high41 Ų4146.8 Ų46.818%0.17826%0.261CS..  trans-75.9116.1173.8-55.8-57.6177.8178.80110.2I212 P213 S214 I219 D252 H255I212-K216 HydrophobicContact CG2-CB 4.31Å; I212-K216 HydrophobicContact CG2-CG 4.22Å; P213-K216 HydrophobicContact CB-CG 4.43Å; P213-K216 VanDerWaalsContact O-CG 3.3Å; P213-K216 WeakPolarHBondContact O-CG 3.32Å; S214-K216 VanDerWaalsContact C-N 3.34Å; S214-K216 PolarHBondContact O-N 3.08Å; K216-I219 HydrophobicContact CB-CG1 4.31Å; K216-D252 WeakPolarHBondContact CD-O 3.3Å; K216-D252 PolarHBondContact NZ-O 2.62Å; K216-H255 HydrophobicContact CB-CB 3.97Å; K216-H255 HydrophobicContact CD-CB 4.02Å; K216-H255 HydrophobicContact CG-CB 3.85Å
217R90.1Very high92.3Very high174 Ų17445.7 Ų45.766%0.65725%0.251SS*.  trans-96.6-31.4-176-56.4-176.4-156.8164.211.9112.7G215 S253G215-R217 PolarHBondContact O-N 3.07Å; R217-S253 PolarHBondContact N-O 3Å
218I96.1Very high92.5Very high3 Ų348.3 Ų48.32%0.01526%0.258CS..EExtended strand (participates in β ladder)trans-119.9108.3-175.4-56.9173000107.7F220 S253 V254 H255 T308 V369I218-F220 HydrophobicContact CG2-CD2 4.34Å; I218-F220 HydrophobicContact CG2-CE2 3.66Å; I218-F220 HydrophobicContact CG2-CZ 4.04Å; I218-S253 PolarHBondContact N-O 2.99Å; I218-V254 HydrophobicContact CB-CG1 3.94Å; I218-V254 HydrophobicContact CD1-CG1 4.18Å; I218-V254 HydrophobicContact CG2-CG1 4.16Å; I218-V254 CarbonylContact O-C 3.44Å; I218-V254 VanDerWaalsContact O-CA 3.31Å; I218-V254 WeakPolarHBondContact O-CA 3.39Å; I218-H255 PolarHBondContact O-N 3.15Å; I218-T308 WeakPolarHBondContact CA-OG1 3.45Å; I218-T308 HydrophobicContact CG2-CG2 4.23Å; I218-V369 HydrophobicContact CD1-CB 4.28Å; I218-V369 HydrophobicContact CD1-CG1 3.92Å; I218-V369 HydrophobicContact CD1-CG2 4.15Å; I218-V369 HydrophobicContact CG2-CG2 4.29Å
219I97.5Very high92.5Very high7 Ų749.2 Ų49.24%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-117113.7-172.1-58.9171.9000108.7L207 I212 K216 H255 V257 C307 T308L207-I219 HydrophobicContact CD1-CD1 3.83Å; I212-I219 HydrophobicContact CG2-CD1 4.35Å; K216-I219 HydrophobicContact CB-CG1 4.31Å; I219-H255 WeakPolarHBondContact CA-O 3.49Å; I219-H255 HydrophobicContact CG1-CB 4.44Å; I219-V257 HydrophobicContact CG2-CG2 3.9Å; I219-C307 HydrophobicContact CG2-CB 4.29Å; I219-C307 CarbonylContact O-C 3.57Å; I219-C307 WeakPolarHBondContact O-CA 3.34Å; I219-C307 WeakPolarHBondContact O-CB 3.42Å; I219-T308 PolarHBondContact N-OG1 3.31Å; I219-T308 WeakPolarHBondContact O-CB 3.49Å; I219-T308 PolarHBondContact O-N 2.97Å
220F98.5Very high92.7Very high0 Ų044.7 Ų44.70%024%0.235CC..EExtended strand (participates in β ladder)trans-91.6145.8168.6-66-78.3000109.7I218 F239 L242 H255 L256 V257 A309 L311 M365 F368 V369I218-F220 HydrophobicContact CG2-CD2 4.34Å; I218-F220 HydrophobicContact CG2-CE2 3.66Å; I218-F220 HydrophobicContact CG2-CZ 4.04Å; F220-F239 HydrophobicContact CD2-CE2 4.5Å; F220-L242 HydrophobicContact CD2-CD2 4.3Å; F220-L242 HydrophobicContact CE2-CD2 3.64Å; F220-L242 HydrophobicContact CZ-CD2 4.34Å; F220-H255 PolarHBondContact N-O 3.45Å; F220-L256 HydrophobicContact CB-CD1 3.92Å; F220-L256 CarbonylContact O-C 3.5Å; F220-L256 WeakPolarHBondContact O-CA 2.85Å; F220-V257 PolarHBondContact O-N 3.05Å; F220-A309 HydrophobicContact CD1-CB 4.03Å; F220-A309 HydrophobicContact CE1-CB 4.04Å; F220-L311 HydrophobicContact CB-CD1 4.11Å; F220-L311 HydrophobicContact CB-CG 4.27Å; F220-L311 HydrophobicContact CD1-CD2 4.05Å; F220-M365 HydrophobicContact CB-CE 4.14Å; F220-M365 HydrophobicContact CD1-CB 4.49Å; F220-M365 HydrophobicContact CD1-CE 4.13Å; F220-M365 HydrophobicContact CD1-CG 4.04Å; F220-M365 HydrophobicContact CD2-CE 3.57Å; F220-M365 HydrophobicContact CE1-CB 3.83Å; F220-M365 HydrophobicContact CE1-CE 4.47Å; F220-M365 HydrophobicContact CE1-CG 3.81Å; F220-M365 HydrophobicContact CE2-CB 4.19Å; F220-M365 HydrophobicContact CE2-CE 3.96Å; F220-M365 HydrophobicContact CG-CE 3.66Å; F220-M365 HydrophobicContact CZ-CB 3.66Å; F220-M365 HydrophobicContact CZ-CE 4.4Å; F220-M365 HydrophobicContact CZ-CG 4.11Å; F220-M365 WeakPolarHBondContact CZ-O 3.31Å; F220-F368 HydrophobicContact CE1-CB 4.43Å; F220-F368 HydrophobicContact CE1-CD2 4.35Å; F220-F368 HydrophobicContact CZ-CB 4.32Å; F220-V369 HydrophobicContact CE2-CG2 4.42Å; F220-V369 HydrophobicContact CZ-CG2 4.42Å
221M98Very high92.9Very high0 Ų046.3 Ų46.30%024%0.243CC..EExtended strand (participates in β ladder)trans-130.1131.9-179.2-174.7-176.4-174.500111L223 V257 A259 L303 L304 C307 A309 L310 L311M221-L223 HydrophobicContact CE-CB 4.09Å; M221-L223 HydrophobicContact CE-CD1 4.12Å; M221-L223 HydrophobicContact CE-CD2 4.11Å; M221-L223 HydrophobicContact CE-CG 4.33Å; M221-V257 CarbonylContact C-O 3.59Å; M221-V257 WeakPolarHBondContact CA-O 3.33Å; M221-V257 HydrophobicContact CG-CB 4.31Å; M221-A259 HydrophobicContact CE-CB 3.71Å; M221-L303 HydrophobicContact CE-CB 3.56Å; M221-L303 HydrophobicContact CE-CD1 3.89Å; M221-L303 HydrophobicContact CE-CG 4.36Å; M221-L303 HydrophobicContact SD-CB 3.79Å; M221-L304 HydrophobicContact SD-CD2 3.86Å; M221-L304 HydrophobicContact SD-CG 4.21Å; M221-C307 HydrophobicContact CB-CB 3.89Å; M221-A309 PolarHBondContact N-O 3.32Å; M221-A309 VanDerWaalsContact N-O 3.13Å; M221-L310 HydrophobicContact CB-CD1 4.38Å; M221-L310 HydrophobicContact CG-CD1 4.33Å; M221-L310 CarbonylContact O-C 3.49Å; M221-L310 WeakPolarHBondContact O-CA 3.4Å; M221-L310 WeakPolarHBondContact O-CD1 3.33Å; M221-L311 PolarHBondContact O-N 3.35Å
222S98.1Very high93.3Very high0 Ų044.2 Ų44.20%022%0.221CC..EExtended strand (participates in β ladder)trans-108.8123.5163.1162.70000108.8V257 A259S222-V257 PolarHBondContact N-O 3.04Å; S222-A259 PolarHBondContact O-N 3.39Å; S222-A259 VanDerWaalsContact O-O 3.13Å
223L95.7Very high93.5Very high14 Ų1445.4 Ų45.47%0.07323%0.23CC..EExtended strand (participates in β ladder)trans-119.8100-179.4-176.957.6000111.3M221 A259 K300 L304 L310 V322M221-L223 HydrophobicContact CE-CB 4.09Å; M221-L223 HydrophobicContact CE-CD1 4.12Å; M221-L223 HydrophobicContact CE-CD2 4.11Å; M221-L223 HydrophobicContact CE-CG 4.33Å; L223-A259 VanDerWaalsContact CA-O 3.3Å; L223-A259 WeakPolarHBondContact CA-O 3.41Å; L223-A259 HydrophobicContact CD1-CB 3.79Å; L223-K300 HydrophobicContact CD2-CD 4Å; L223-K300 HydrophobicContact CD2-CG 3.9Å; L223-L304 HydrophobicContact CD2-CD1 4.47Å; L223-L310 HydrophobicContact CB-CD1 3.98Å; L223-V322 HydrophobicContact CB-CG1 3.87Å; L223-V322 HydrophobicContact CD2-CG1 4.02Å; L223-V322 HydrophobicContact CG-CG1 4.05Å
224N92.8Very high93.8Very high10 Ų1043 Ų435%0.05321%0.214CC..  trans-151.5157.2-176.5-74.6-71.6000111.4K230 I232 A259 G260 P314N224-K230 HydrophobicContact CB-CB 4Å; N224-K230 HydrophobicContact CB-CG 4.17Å; N224-I232 HydrophobicContact CB-CD1 4.05Å; N224-I232 HydrophobicContact CB-CG1 4.24Å; N224-A259 PolarHBondContact N-O 3.38Å; N224-G260 WeakPolarHBondContact O-CA 3.4Å; N224-P314 WeakPolarHBondContact OD1-CG 3.5Å
225R90Very high94.2Very high145 Ų14538.5 Ų38.555%0.54718%0.183SC..  trans-60.5143.8163.8-69.2-176.2178176.9-2.5109.5E227R225-E227 HydrophobicContact CB-CG 4Å; R225-E227 WeakPolarHBondContact CD-OE1 3.3Å; R225-E227 PolarHBondContact O-N 3.4Å
226F93.8Very high94.8Very high0 Ų035.4 Ų35.40%015%0.151CC..SBendtrans-70.680174.3-60.1-74.4000110.1I232 I258 G260 G261 Y262 N269 F273 L276 F291 R293F226-I232 HydrophobicContact CD1-CD1 4.25Å; F226-I258 HydrophobicContact CE1-CG2 3.89Å; F226-G260 VanDerWaalsContact CE2-O 3.3Å; F226-G260 WeakPolarHBondContact CE2-O 3.49Å; F226-G261 VanDerWaalsContact CD2-O 3.3Å; F226-G261 WeakPolarHBondContact CD2-O 3.18Å; F226-G261 PolarHBondContact N-O 3.36Å; F226-Y262 HydrophobicContact CD2-CD2 4.14Å; F226-N269 PolarHBondContact N-ND2 3.3Å; F226-N269 VanDerWaalsContact O-CA 3.26Å; F226-N269 WeakPolarHBondContact O-CA 3.32Å; F226-N269 PolarHBondContact O-ND2 3.21Å; F226-F273 HydrophobicContact CB-CB 4.47Å; F226-F273 AromaticContact CD1-CD2 3.81Å; F226-F273 HydrophobicContact CD1-CD2 3.81Å; F226-F273 HydrophobicContact CD2-CD2 4.06Å; F226-F273 AromaticContact CE1-CD2 3.61Å; F226-F273 HydrophobicContact CE1-CD2 3.61Å; F226-F273 HydrophobicContact CE1-CE2 4.04Å; F226-F273 AromaticContact CE2-CD2 3.9Å; F226-F273 HydrophobicContact CE2-CD2 3.9Å; F226-F273 HydrophobicContact CE2-CE2 4.29Å; F226-F273 HydrophobicContact CG-CB 4.37Å; F226-F273 HydrophobicContact CG-CD2 4.04Å; F226-F273 AromaticContact CZ-CD2 3.68Å; F226-F273 HydrophobicContact CZ-CD2 3.68Å; F226-F273 AromaticContact CZ-CE2 3.84Å; F226-F273 HydrophobicContact CZ-CE2 3.84Å; F226-L276 HydrophobicContact CD1-CD1 3.91Å; F226-L276 HydrophobicContact CE1-CD1 4.47Å; F226-F291 HydrophobicContact CE1-CD1 4.47Å; F226-R293 HydrophobicContact CE2-CG 4.23Å
227E90.3Very high95.1Very high21 Ų2138.2 Ų38.210%0.09816%0.161CC..  trans-134.8137.5-179.5-65.8171.5-17900108.7R225 K229 K230 H272R225-E227 HydrophobicContact CB-CG 4Å; R225-E227 WeakPolarHBondContact CD-OE1 3.3Å; R225-E227 PolarHBondContact O-N 3.4Å; E227-K229 HydrophobicContact CB-CG 4.23Å; E227-K229 PolarHBondContact O-N 3.25Å; E227-K229 VanDerWaalsContact O-N 3.11Å; E227-K229 WeakPolarHBondContact OE2-CE 3.27Å; E227-K229 IonicContact OE2-NZ 3.94Å; E227-K230 HydrophobicContact CB-CG 4.1Å; E227-K230 WeakPolarHBondContact O-CB 3.45Å; E227-K230 PolarHBondContact O-N 3.41Å; E227-H272 VanDerWaalsContact C-CD2 3.46Å
228R92.9Very high95.5Very high92 Ų9230 Ų3035%0.34713%0.13SC..G310 helixtrans-57.8-33.7-173.9-71.3179.9-174.799.8-11.7112.9K230 N231 E271 H272 E275R228-K230 PolarHBondContact O-N 2.86Å; R228-N231 PolarHBondContact O-N 3.42Å; R228-E271 IonicContact CZ-OE2 3.21Å; R228-E271 IonicContact NH1-OE2 3.38Å; R228-E271 IonicContact NH2-OE2 2.78Å; R228-E271 PolarHBondContact NH2-OE2 3.43Å; R228-E271 VanDerWaalsContact NH2-OE2 3.14Å; R228-H272 HydrophobicContact CG-CB 4.18Å; R228-H272 WeakPolarHBondContact CG-ND1 3.27Å; R228-E275 IonicContact CZ-OE1 3.48Å; R228-E275 IonicContact CZ-OE2 3.74Å; R228-E275 IonicContact NE-OE1 2.78Å; R228-E275 PolarHBondContact NE-OE1 3.37Å; R228-E275 IonicContact NE-OE2 3.62Å; R228-E275 PolarHBondContact NE-OE2 3.48Å; R228-E275 IonicContact NH2-OE1 3.03Å; R228-E275 PolarHBondContact NH2-OE1 2.87Å; R228-E275 IonicContact NH2-OE2 2.75Å
229K89.1Confident95.6Very high132 Ų13229.8 Ų29.857%0.57413%0.129SC*.G310 helixtrans-64.6-17.517767.4174.8175.6177.30114.6E227 N231E227-K229 HydrophobicContact CB-CG 4.23Å; E227-K229 PolarHBondContact O-N 3.25Å; E227-K229 VanDerWaalsContact O-N 3.11Å; E227-K229 WeakPolarHBondContact OE2-CE 3.27Å; E227-K229 IonicContact OE2-NZ 3.94Å; K229-N231 PolarHBondContact O-N 3.18Å
230K92.4Very high95.7Very high20 Ų2029.8 Ų29.89%0.08713%0.13CC..G310 helixtrans-79.6-7.6178.2-59.7-63.4178-179.40112.6N224 E227 R228 I232 T313 P314 E317N224-K230 HydrophobicContact CB-CB 4Å; N224-K230 HydrophobicContact CB-CG 4.17Å; E227-K230 HydrophobicContact CB-CG 4.1Å; E227-K230 WeakPolarHBondContact O-CB 3.45Å; E227-K230 PolarHBondContact O-N 3.41Å; R228-K230 PolarHBondContact O-N 2.86Å; K230-I232 HydrophobicContact CB-CD1 4.35Å; K230-I232 HydrophobicContact CB-CG1 4.02Å; K230-I232 PolarHBondContact O-N 3.03Å; K230-T313 CarbonylContact O-C 3.41Å; K230-T313 PolarHBondContact O-OG1 2.92Å; K230-P314 HydrophobicContact CB-CG 4.24Å; K230-P314 HydrophobicContact CD-CB 4.2Å; K230-P314 HydrophobicContact CD-CG 3.72Å; K230-E317 IonicContact NZ-OE1 2.9Å; K230-E317 PolarHBondContact NZ-OE1 2.86Å; K230-E317 IonicContact NZ-OE2 4Å; K230-E317 PolarHBondContact NZ-OE2 3.41Å
231N94.9Very high95.7Very high46 Ų4633.2 Ų33.225%0.24615%0.148CC..  trans55.535.1171.8-152.721.4000113.6R228 K229 S233 V234 T313R228-N231 PolarHBondContact O-N 3.42Å; K229-N231 PolarHBondContact O-N 3.18Å; N231-S233 PolarHBondContact O-N 2.88Å; N231-S233 VanDerWaalsContact O-N 3.15Å; N231-V234 VanDerWaalsContact ND2-CG2 3.27Å; N231-V234 WeakPolarHBondContact ND2-CG2 3.15Å; N231-V234 WeakPolarHBondContact O-CB 3.49Å; N231-V234 PolarHBondContact O-N 2.85Å; N231-T313 VanDerWaalsContact O-CB 3.31Å; N231-T313 WeakPolarHBondContact O-CB 3.44Å; N231-T313 PolarHBondContact O-OG1 3.11Å
232I97Very high95.7Very high1 Ų133.2 Ų33.21%0.00515%0.148CC..THydrogen-bonded Turntrans-60.6-26.7-175.6-58.3172000111.5N224 F226 K230 V234 A235 L236 I258 L276N224-I232 HydrophobicContact CB-CD1 4.05Å; N224-I232 HydrophobicContact CB-CG1 4.24Å; F226-I232 HydrophobicContact CD1-CD1 4.25Å; K230-I232 HydrophobicContact CB-CD1 4.35Å; K230-I232 HydrophobicContact CB-CG1 4.02Å; K230-I232 PolarHBondContact O-N 3.03Å; I232-V234 PolarHBondContact O-N 3.2Å; I232-A235 WeakPolarHBondContact O-CB 3.41Å; I232-A235 PolarHBondContact O-N 2.86Å; I232-L236 PolarHBondContact O-N 2.8Å; I232-I258 HydrophobicContact CG2-CD1 4.08Å; I232-I258 HydrophobicContact CG2-CG2 3.72Å; I232-L276 HydrophobicContact CB-CD1 4.01Å; I232-L276 HydrophobicContact CB-CD2 4.04Å; I232-L276 HydrophobicContact CD1-CD1 4.06Å; I232-L276 HydrophobicContact CG2-CD1 3.91Å; I232-L276 HydrophobicContact CG2-CD2 4.07Å
233S97.3Very high95.6Very high30 Ų3034.7 Ų34.721%0.2115%0.154CC..Hα-helixtrans-54.5-33.6173.749.90000113.1N231 A235 L236 Y237N231-S233 PolarHBondContact O-N 2.88Å; N231-S233 VanDerWaalsContact O-N 3.15Å; S233-A235 VanDerWaalsContact C-N 3.28Å; S233-A235 PolarHBondContact O-N 3.42Å; S233-L236 PolarHBondContact O-N 3.46Å; S233-Y237 WeakPolarHBondContact O-CD2 3.33Å; S233-Y237 PolarHBondContact O-N 3.09Å
234V97.8Very high95.6Very high8 Ų840.9 Ų40.95%0.04818%0.183CC..Hα-helixtrans-60.8-38.2176.21710000111.4N231 I232 L236 Y237 A238 T313 P358 F361N231-V234 VanDerWaalsContact ND2-CG2 3.27Å; N231-V234 WeakPolarHBondContact ND2-CG2 3.15Å; N231-V234 WeakPolarHBondContact O-CB 3.49Å; N231-V234 PolarHBondContact O-N 2.85Å; I232-V234 PolarHBondContact O-N 3.2Å; V234-L236 VanDerWaalsContact C-N 3.35Å; V234-L236 PolarHBondContact O-N 3.45Å; V234-Y237 PolarHBondContact O-N 3.35Å; V234-A238 WeakPolarHBondContact O-CB 3.34Å; V234-A238 PolarHBondContact O-N 3.2Å; V234-T313 HydrophobicContact CB-CG2 4.01Å; V234-T313 HydrophobicContact CG1-CG2 4.15Å; V234-P358 HydrophobicContact CG1-CG 4.4Å; V234-F361 HydrophobicContact CG1-CD2 3.73Å; V234-F361 HydrophobicContact CG1-CE2 4.09Å; V234-F361 HydrophobicContact CG1-CG 4.16Å
235A98.2Very high95.7Very high0 Ų043.3 Ų43.30%020%0.2CC..Hα-helixtrans-64-40.3176.700000111.7I232 S233 F239 I258 L311 T313I232-A235 WeakPolarHBondContact O-CB 3.41Å; I232-A235 PolarHBondContact O-N 2.86Å; S233-A235 VanDerWaalsContact C-N 3.28Å; S233-A235 PolarHBondContact O-N 3.42Å; A235-F239 VanDerWaalsContact O-CB 3.28Å; A235-F239 WeakPolarHBondContact O-CB 3.21Å; A235-F239 PolarHBondContact O-N 3.37Å; A235-I258 HydrophobicContact CB-CD1 4.35Å; A235-L311 HydrophobicContact CB-CD1 3.98Å; A235-T313 HydrophobicContact CB-CG2 4.05Å
236L98.6Very high96Very high0 Ų036.8 Ų36.80%018%0.176CC..Hα-helixtrans-65.5-48.2176.5-70.6169.6000111.7I232 S233 V234 F239 A240 L256 I258 L276 L279 L283 L285 V289 F291I232-L236 PolarHBondContact O-N 2.8Å; S233-L236 PolarHBondContact O-N 3.46Å; V234-L236 VanDerWaalsContact C-N 3.35Å; V234-L236 PolarHBondContact O-N 3.45Å; L236-F239 PolarHBondContact O-N 3.5Å; L236-A240 PolarHBondContact O-N 3.47Å; L236-L256 HydrophobicContact CD2-CD2 4.02Å; L236-I258 HydrophobicContact CD2-CG1 4.32Å; L236-L276 HydrophobicContact CD1-CB 4.3Å; L236-L276 HydrophobicContact CD1-CD2 3.88Å; L236-L279 HydrophobicContact CB-CD2 4.34Å; L236-L279 HydrophobicContact CD1-CB 4.27Å; L236-L279 HydrophobicContact CD1-CD2 3.88Å; L236-L279 HydrophobicContact CD1-CG 4.06Å; L236-L283 HydrophobicContact CB-CD1 4.21Å; L236-L285 HydrophobicContact CD2-CD1 4.45Å; L236-V289 HydrophobicContact CD2-CG1 4.07Å; L236-V289 HydrophobicContact CD2-CG2 4.12Å; L236-F291 HydrophobicContact CD2-CZ 4.48Å
237Y98.6Very high95.9Very high100 Ų10042.9 Ų42.939%0.39221%0.209SC..Hα-helixtrans-63.5-42.5177.3-71.6-59.9000112.2S233 V234 F239 A240 L241 L279 L283 P358S233-Y237 WeakPolarHBondContact O-CD2 3.33Å; S233-Y237 PolarHBondContact O-N 3.09Å; V234-Y237 PolarHBondContact O-N 3.35Å; Y237-F239 VanDerWaalsContact C-N 3.33Å; Y237-F239 PolarHBondContact O-N 2.98Å; Y237-A240 PolarHBondContact O-N 3.12Å; Y237-L241 WeakPolarHBondContact O-CG 3.41Å; Y237-L241 PolarHBondContact O-N 2.95Å; Y237-L279 HydrophobicContact CE1-CD1 3.77Å; Y237-L279 HydrophobicContact CE2-CD1 4.39Å; Y237-L279 HydrophobicContact CE2-CD2 3.97Å; Y237-L279 WeakPolarHBondContact OH-CD1 3.26Å; Y237-L283 HydrophobicContact CD1-CD1 3.83Å; Y237-L283 HydrophobicContact CD1-CD2 4.08Å; Y237-L283 HydrophobicContact CE1-CD1 4.1Å; Y237-L283 HydrophobicContact CE1-CD2 4.1Å; Y237-P358 HydrophobicContact CD2-CG 4.38Å; Y237-P358 HydrophobicContact CG-CG 4.32Å
238A98.6Very high95.8Very high0 Ų047.8 Ų47.80%024%0.235CC..Hα-helixtrans-62.6-41.5177.600000111.6V234 L241 L242 P358 F361 A362 M365V234-A238 WeakPolarHBondContact O-CB 3.34Å; V234-A238 PolarHBondContact O-N 3.2Å; A238-L241 PolarHBondContact O-N 3.45Å; A238-L242 PolarHBondContact O-N 3.24Å; A238-P358 VanDerWaalsContact CB-O 3.32Å; A238-P358 WeakPolarHBondContact CB-O 3.25Å; A238-F361 HydrophobicContact CB-CB 3.49Å; A238-F361 VanDerWaalsContact CB-CB 3.49Å; A238-A362 HydrophobicContact CB-CB 4.34Å; A238-A362 WeakPolarHBondContact O-CB 3.08Å; A238-M365 HydrophobicContact CB-SD 3.94Å
239F98.6Very high95.5Very high0 Ų048.6 Ų48.60%025%0.247CC..Hα-helixtrans-67.5-38176.9-174-112.7000112.6F220 A235 L236 Y237 L242 R243 V254 L256 L285 S288 V289 M365F220-F239 HydrophobicContact CD2-CE2 4.5Å; A235-F239 VanDerWaalsContact O-CB 3.28Å; A235-F239 WeakPolarHBondContact O-CB 3.21Å; A235-F239 PolarHBondContact O-N 3.37Å; L236-F239 PolarHBondContact O-N 3.5Å; Y237-F239 VanDerWaalsContact C-N 3.33Å; Y237-F239 PolarHBondContact O-N 2.98Å; F239-L242 HydrophobicContact CD2-CD2 4.44Å; F239-L242 PolarHBondContact O-N 2.98Å; F239-R243 HydrophobicContact CD1-CG 4.47Å; F239-R243 HydrophobicContact CE1-CG 4.18Å; F239-R243 HydrophobicContact CE2-CG 4.46Å; F239-R243 HydrophobicContact CZ-CG 4.16Å; F239-R243 WeakPolarHBondContact O-CG 3.35Å; F239-R243 PolarHBondContact O-N 3.33Å; F239-V254 HydrophobicContact CE2-CB 4.1Å; F239-V254 HydrophobicContact CE2-CG2 4.03Å; F239-V254 HydrophobicContact CZ-CB 4.41Å; F239-V254 HydrophobicContact CZ-CG2 4.08Å; F239-L256 HydrophobicContact CB-CB 4.48Å; F239-L256 HydrophobicContact CB-CD2 3.73Å; F239-L256 HydrophobicContact CD1-CB 3.74Å; F239-L256 HydrophobicContact CD1-CD2 4.06Å; F239-L256 HydrophobicContact CD2-CB 3.9Å; F239-L256 HydrophobicContact CE1-CB 3.79Å; F239-L256 HydrophobicContact CE2-CB 3.96Å; F239-L256 HydrophobicContact CG-CB 3.79Å; F239-L256 HydrophobicContact CG-CD2 3.92Å; F239-L256 HydrophobicContact CG-CG 4.41Å; F239-L256 HydrophobicContact CZ-CB 3.91Å; F239-L285 HydrophobicContact CD1-CD1 4.14Å; F239-L285 HydrophobicContact CD1-CD2 4.09Å; F239-L285 HydrophobicContact CE1-CD2 4.32Å; F239-S288 WeakPolarHBondContact CE1-O 3.19Å; F239-V289 HydrophobicContact CD1-CG2 4.14Å; F239-V289 HydrophobicContact CE1-CG2 4.15Å; F239-M365 HydrophobicContact CB-CE 4.12Å; F239-M365 HydrophobicContact CD2-CE 3.78Å; F239-M365 HydrophobicContact CG-CE 4.46Å
240A98.2Very high95.6Very high7 Ų745 Ų456%0.05823%0.234CC..Hα-helixtrans-59.6-46.417200000111.7L236 Y237 R243 Q244 L283 L285L236-A240 PolarHBondContact O-N 3.47Å; Y237-A240 PolarHBondContact O-N 3.12Å; A240-R243 PolarHBondContact O-N 2.89Å; A240-Q244 VanDerWaalsContact O-CG 3.32Å; A240-Q244 WeakPolarHBondContact O-CG 3.41Å; A240-Q244 PolarHBondContact O-N 3.42Å; A240-L283 HydrophobicContact CB-CB 4.44Å; A240-L283 HydrophobicContact CB-CD1 4.28Å; A240-L283 HydrophobicContact CB-CD2 4.37Å; A240-L285 HydrophobicContact CB-CD1 4.2Å; A240-L285 HydrophobicContact CB-CD2 4.47Å
241L98.2Very high95.6Very high71 Ų7146.4 Ų46.437%0.37224%0.24SC..Hα-helixtrans-62.7-41.7176.6-71.1173.6000112.2Y237 A238 Q244 S245 P358 A359 A362Y237-L241 WeakPolarHBondContact O-CG 3.41Å; Y237-L241 PolarHBondContact O-N 2.95Å; A238-L241 PolarHBondContact O-N 3.45Å; L241-Q244 PolarHBondContact O-N 3.13Å; L241-S245 PolarHBondContact O-N 3.33Å; L241-P358 HydrophobicContact CD1-CB 3.9Å; L241-A359 HydrophobicContact CD1-CB 4.38Å; L241-A362 HydrophobicContact CB-CB 3.77Å; L241-A362 HydrophobicContact CD1-CB 4.47Å
242L98.1Very high95.4Very high1 Ų149.2 Ų49.21%0.00526%0.255CS..Hα-helixtrans-58.5-53.4174.6175.968.1000110.3F220 A238 F239 Q244 S245 L246 M365 R366 V369F220-L242 HydrophobicContact CD2-CD2 4.3Å; F220-L242 HydrophobicContact CE2-CD2 3.64Å; F220-L242 HydrophobicContact CZ-CD2 4.34Å; A238-L242 PolarHBondContact O-N 3.24Å; F239-L242 HydrophobicContact CD2-CD2 4.44Å; F239-L242 PolarHBondContact O-N 2.98Å; L242-Q244 VanDerWaalsContact C-N 3.3Å; L242-Q244 PolarHBondContact O-N 2.86Å; L242-S245 WeakPolarHBondContact O-CB 3.46Å; L242-S245 PolarHBondContact O-N 3Å; L242-S245 PolarHBondContact O-OG 2.97Å; L242-L246 HydrophobicContact CD1-CD1 4.33Å; L242-L246 HydrophobicContact CD1-CG 4.47Å; L242-L246 HydrophobicContact CG-CD1 4.02Å; L242-L246 WeakPolarHBondContact O-CG 3.33Å; L242-L246 PolarHBondContact O-N 2.73Å; L242-M365 HydrophobicContact CD2-CB 4.01Å; L242-M365 HydrophobicContact CD2-CE 3.87Å; L242-R366 HydrophobicContact CD1-CB 3.86Å; L242-R366 HydrophobicContact CD1-CG 4.47Å; L242-V369 HydrophobicContact CD1-CG2 4.16Å; L242-V369 HydrophobicContact CD2-CG2 4.15Å
243R97.1Very high95.2Very high30 Ų3049.5 Ų49.511%0.11326%0.258CS..Hα-helixtrans-56.1-45.1-178.7-74-17771.4835.1111.8F239 A240 S245 L246 Q251 V254 S288F239-R243 HydrophobicContact CD1-CG 4.47Å; F239-R243 HydrophobicContact CE1-CG 4.18Å; F239-R243 HydrophobicContact CE2-CG 4.46Å; F239-R243 HydrophobicContact CZ-CG 4.16Å; F239-R243 WeakPolarHBondContact O-CG 3.35Å; F239-R243 PolarHBondContact O-N 3.33Å; A240-R243 PolarHBondContact O-N 2.89Å; R243-S245 PolarHBondContact O-N 2.84Å; R243-S245 VanDerWaalsContact O-N 3.13Å; R243-L246 PolarHBondContact O-N 3.25Å; R243-Q251 VanDerWaalsContact CZ-O 3.25Å; R243-Q251 PolarHBondContact NH1-O 2.83Å; R243-Q251 PolarHBondContact NH2-O 2.76Å; R243-Q251 WeakPolarHBondContact O-CG 3.44Å; R243-Q251 PolarHBondContact O-NE2 3.37Å; R243-V254 HydrophobicContact CG-CG2 3.95Å; R243-V254 PolarHBondContact NH1-O 3.12Å; R243-S288 VanDerWaalsContact NH1-CB 3.31Å; R243-S288 PolarHBondContact NH1-OG 3.21Å; R243-S288 PolarHBondContact NH2-OG 3.15Å
244Q95.5Very high95.2Very high145 Ų14548.1 Ų48.168%0.67825%0.248SC*.Hα-helixtrans-59.7-24.3178-72172.213.900113.5A240 L241 L242A240-Q244 VanDerWaalsContact O-CG 3.32Å; A240-Q244 WeakPolarHBondContact O-CG 3.41Å; A240-Q244 PolarHBondContact O-N 3.42Å; L241-Q244 PolarHBondContact O-N 3.13Å; L242-Q244 VanDerWaalsContact C-N 3.3Å; L242-Q244 PolarHBondContact O-N 2.86Å
245S95Very high95.2Very high60 Ų6047.8 Ų47.842%0.4225%0.246SC..THydrogen-bonded Turntrans-87-8.1177.879.40000114.5L241 L242 R243 R366L241-S245 PolarHBondContact O-N 3.33Å; L242-S245 WeakPolarHBondContact O-CB 3.46Å; L242-S245 PolarHBondContact O-N 3Å; L242-S245 PolarHBondContact O-OG 2.97Å; R243-S245 PolarHBondContact O-N 2.84Å; R243-S245 VanDerWaalsContact O-N 3.13Å; S245-R366 PolarHBondContact O-NH1 3.35Å; S245-R366 PolarHBondContact OG-NH1 3.36Å
246L95.6Very high95.2Very high8 Ų847.8 Ų47.84%0.04225%0.246CC..SBendtrans-101.4151.1-173.9-65.2173.8000111.9L242 R243 L250 Q251 V254 V369L242-L246 HydrophobicContact CD1-CD1 4.33Å; L242-L246 HydrophobicContact CD1-CG 4.47Å; L242-L246 HydrophobicContact CG-CD1 4.02Å; L242-L246 WeakPolarHBondContact O-CG 3.33Å; L242-L246 PolarHBondContact O-N 2.73Å; R243-L246 PolarHBondContact O-N 3.25Å; L246-L250 HydrophobicContact CB-CB 4.1Å; L246-L250 HydrophobicContact CD1-CB 4.38Å; L246-L250 HydrophobicContact CD2-CB 4.28Å; L246-L250 HydrophobicContact CD2-CD1 4.25Å; L246-L250 HydrophobicContact CG-CB 4.48Å; L246-Q251 HydrophobicContact CB-CG 3.82Å; L246-Q251 WeakPolarHBondContact O-CG 3.49Å; L246-Q251 PolarHBondContact O-NE2 2.96Å; L246-V254 HydrophobicContact CD1-CG1 3.79Å; L246-V254 HydrophobicContact CD1-CG2 4.03Å; L246-V369 HydrophobicContact CD2-CG1 3.68Å
247D92.4Very high95.2Very high128 Ų12847.8 Ų47.868%0.68425%0.246SC*.  trans-70.1156.6169.1-60.2-34.5000110.9D249 L250 Q251D247-D249 VanDerWaalsContact C-N 3.32Å; D247-D249 PolarHBondContact O-N 2.97Å; D247-D249 VanDerWaalsContact O-N 3.15Å; D247-L250 PolarHBondContact O-N 3.46Å; D247-Q251 PolarHBondContact O-N 2.83Å
248N87.9Confident95.2Very high124 Ų12443 Ų4366%0.66323%0.227SC*.Hα-helixtrans-51.7-42.4-171.4-67.1-16.4000114.3L250 Q251 D252N248-L250 PolarHBondContact O-N 3.2Å; N248-Q251 WeakPolarHBondContact O-CB 3.43Å; N248-Q251 PolarHBondContact O-N 2.69Å; N248-D252 PolarHBondContact O-N 3.09Å; N248-D252 VanDerWaalsContact O-N 3.12Å
249D87.3Confident95.1Very high110 Ų11043 Ų4359%0.58823%0.227SC*.Hα-helixtrans-64.1-39.5179.4-175.264.1000112.6D247 D252 S253D247-D249 VanDerWaalsContact C-N 3.32Å; D247-D249 PolarHBondContact O-N 2.97Å; D247-D249 VanDerWaalsContact O-N 3.15Å; D249-D252 PolarHBondContact O-N 3.14Å; D249-S253 PolarHBondContact O-N 2.78Å; D249-S253 PolarHBondContact O-OG 3.19Å
250L90.9Very high94.8Very high57 Ų5743.1 Ų43.130%0.29823%0.228SC..Hα-helixtrans-74.7-33.9176.3-74172.9000111.6L246 D247 N248 D252 S253 V254 V369L246-L250 HydrophobicContact CB-CB 4.1Å; L246-L250 HydrophobicContact CD1-CB 4.38Å; L246-L250 HydrophobicContact CD2-CB 4.28Å; L246-L250 HydrophobicContact CD2-CD1 4.25Å; L246-L250 HydrophobicContact CG-CB 4.48Å; D247-L250 PolarHBondContact O-N 3.46Å; N248-L250 PolarHBondContact O-N 3.2Å; L250-D252 VanDerWaalsContact C-N 3.28Å; L250-D252 PolarHBondContact O-N 3.44Å; L250-S253 PolarHBondContact O-N 3.1Å; L250-S253 VanDerWaalsContact O-N 3.16Å; L250-V254 PolarHBondContact O-N 3.39Å; L250-V369 HydrophobicContact CD1-CG1 4.49Å
251Q92Very high94.4Very high48 Ų4844.4 Ų44.422%0.22424%0.242CC..Hα-helixtrans-57.7-42.4172.6-72-172.716.400111R243 L246 D247 N248 S253 V254R243-Q251 VanDerWaalsContact CZ-O 3.25Å; R243-Q251 PolarHBondContact NH1-O 2.83Å; R243-Q251 PolarHBondContact NH2-O 2.76Å; R243-Q251 WeakPolarHBondContact O-CG 3.44Å; R243-Q251 PolarHBondContact O-NE2 3.37Å; L246-Q251 HydrophobicContact CB-CG 3.82Å; L246-Q251 WeakPolarHBondContact O-CG 3.49Å; L246-Q251 PolarHBondContact O-NE2 2.96Å; D247-Q251 PolarHBondContact O-N 2.83Å; N248-Q251 WeakPolarHBondContact O-CB 3.43Å; N248-Q251 PolarHBondContact O-N 2.69Å; Q251-S253 VanDerWaalsContact C-N 3.28Å; Q251-S253 PolarHBondContact O-N 2.98Å; Q251-V254 WeakPolarHBondContact O-CG2 3.5Å
252D90.7Very high94.1Very high105 Ų10543.5 Ų43.556%0.56123%0.234SC*.Hα-helixtrans-73.3-22.5179.5-70.5-20.5000113.1K216 N248 D249 L250K216-D252 WeakPolarHBondContact CD-O 3.3Å; K216-D252 PolarHBondContact NZ-O 2.62Å; N248-D252 PolarHBondContact O-N 3.09Å; N248-D252 VanDerWaalsContact O-N 3.12Å; D249-D252 PolarHBondContact O-N 3.14Å; L250-D252 VanDerWaalsContact C-N 3.28Å; L250-D252 PolarHBondContact O-N 3.44Å
253S92.9Very high93.5Very high8 Ų846.9 Ų46.96%0.05625%0.252CS..Hα-helixtrans-84.3-19.9-179.1-63.50000114.6R217 I218 D249 L250 Q251R217-S253 PolarHBondContact N-O 3Å; I218-S253 PolarHBondContact N-O 2.99Å; D249-S253 PolarHBondContact O-N 2.78Å; D249-S253 PolarHBondContact O-OG 3.19Å; L250-S253 PolarHBondContact O-N 3.1Å; L250-S253 VanDerWaalsContact O-N 3.16Å; Q251-S253 VanDerWaalsContact C-N 3.28Å; Q251-S253 PolarHBondContact O-N 2.98Å
254V96.8Very high92.9Very high0 Ų049.6 Ų49.60%027%0.274CS..EExtended strand (participates in β ladder)trans-90.5139.7179.4-63.20000112.1I218 F239 R243 L246 L250 Q251 V369I218-V254 HydrophobicContact CB-CG1 3.94Å; I218-V254 HydrophobicContact CD1-CG1 4.18Å; I218-V254 HydrophobicContact CG2-CG1 4.16Å; I218-V254 CarbonylContact O-C 3.44Å; I218-V254 VanDerWaalsContact O-CA 3.31Å; I218-V254 WeakPolarHBondContact O-CA 3.39Å; F239-V254 HydrophobicContact CE2-CB 4.1Å; F239-V254 HydrophobicContact CE2-CG2 4.03Å; F239-V254 HydrophobicContact CZ-CB 4.41Å; F239-V254 HydrophobicContact CZ-CG2 4.08Å; R243-V254 HydrophobicContact CG-CG2 3.95Å; R243-V254 PolarHBondContact NH1-O 3.12Å; L246-V254 HydrophobicContact CD1-CG1 3.79Å; L246-V254 HydrophobicContact CD1-CG2 4.03Å; L250-V254 PolarHBondContact O-N 3.39Å; Q251-V254 WeakPolarHBondContact O-CG2 3.5Å; V254-V369 HydrophobicContact CG1-CG2 4.38Å
255H97.9Very high92.2Very high1 Ų151.5 Ų51.51%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-138.2148.2178.3-154.276.5000111.5P213 K216 I218 I219 F220 S288 T290P213-H255 VanDerWaalsContact CD-CE1 3.44Å; P213-H255 WeakPolarHBondContact CD-CE1 3.37Å; K216-H255 HydrophobicContact CB-CB 3.97Å; K216-H255 HydrophobicContact CD-CB 4.02Å; K216-H255 HydrophobicContact CG-CB 3.85Å; I218-H255 PolarHBondContact O-N 3.15Å; I219-H255 WeakPolarHBondContact CA-O 3.49Å; I219-H255 HydrophobicContact CG1-CB 4.44Å; F220-H255 PolarHBondContact N-O 3.45Å; H255-S288 PolarHBondContact ND1-O 2.84Å; H255-T290 PolarHBondContact NE2-OG1 3.01Å
256L98.4Very high91.5Very high0 Ų052.3 Ų52.30%028%0.282CS..EExtended strand (participates in β ladder)trans-117.7130.6173.7176.367.6000110.6F220 L236 F239 I258 S288 V289 T290 L311F220-L256 HydrophobicContact CB-CD1 3.92Å; F220-L256 CarbonylContact O-C 3.5Å; F220-L256 WeakPolarHBondContact O-CA 2.85Å; L236-L256 HydrophobicContact CD2-CD2 4.02Å; F239-L256 HydrophobicContact CB-CB 4.48Å; F239-L256 HydrophobicContact CB-CD2 3.73Å; F239-L256 HydrophobicContact CD1-CB 3.74Å; F239-L256 HydrophobicContact CD1-CD2 4.06Å; F239-L256 HydrophobicContact CD2-CB 3.9Å; F239-L256 HydrophobicContact CE1-CB 3.79Å; F239-L256 HydrophobicContact CE2-CB 3.96Å; F239-L256 HydrophobicContact CG-CB 3.79Å; F239-L256 HydrophobicContact CG-CD2 3.92Å; F239-L256 HydrophobicContact CG-CG 4.41Å; F239-L256 HydrophobicContact CZ-CB 3.91Å; L256-I258 HydrophobicContact CD1-CD1 4.15Å; L256-I258 HydrophobicContact CD2-CD1 3.76Å; L256-I258 HydrophobicContact CD2-CG1 4.33Å; L256-I258 HydrophobicContact CG-CD1 3.86Å; L256-I258 HydrophobicContact CG-CG1 4.35Å; L256-S288 PolarHBondContact N-O 2.7Å; L256-V289 HydrophobicContact CB-CG2 4.13Å; L256-V289 HydrophobicContact CD2-CG2 4.21Å; L256-V289 CarbonylContact O-C 3.4Å; L256-V289 VanDerWaalsContact O-CA 3.23Å; L256-V289 WeakPolarHBondContact O-CA 3.31Å; L256-T290 PolarHBondContact O-N 2.93Å; L256-L311 HydrophobicContact CD1-CD1 3.88Å
257V98.3Very high91.1Very high0 Ų054.9 Ų54.90%030%0.304CS..EExtended strand (participates in β ladder)trans-107.2121.1173.2-178.10000109.1I212 I219 F220 M221 S222 A259 T290 V292 L303I212-V257 HydrophobicContact CD1-CG2 3.81Å; I212-V257 HydrophobicContact CG1-CG2 4Å; I219-V257 HydrophobicContact CG2-CG2 3.9Å; F220-V257 PolarHBondContact O-N 3.05Å; M221-V257 CarbonylContact C-O 3.59Å; M221-V257 WeakPolarHBondContact CA-O 3.33Å; M221-V257 HydrophobicContact CG-CB 4.31Å; S222-V257 PolarHBondContact N-O 3.04Å; V257-A259 HydrophobicContact CG1-CB 4.26Å; V257-T290 WeakPolarHBondContact CA-O 3.25Å; V257-V292 HydrophobicContact CG1-CG2 4.01Å; V257-L303 HydrophobicContact CG1-CD1 4.17Å; V257-L303 HydrophobicContact CG1-CD2 4.13Å; V257-L303 HydrophobicContact CG2-CD2 4.42Å
258I98.2Very high90.9Very high0 Ų052.8 Ų52.80%029%0.29CS..EExtended strand (participates in β ladder)trans-102.9100170.4-55.2-58.6000107.9F226 I232 A235 L236 L256 V289 T290 F291 V292F226-I258 HydrophobicContact CE1-CG2 3.89Å; I232-I258 HydrophobicContact CG2-CD1 4.08Å; I232-I258 HydrophobicContact CG2-CG2 3.72Å; A235-I258 HydrophobicContact CB-CD1 4.35Å; L236-I258 HydrophobicContact CD2-CG1 4.32Å; L256-I258 HydrophobicContact CD1-CD1 4.15Å; L256-I258 HydrophobicContact CD2-CD1 3.76Å; L256-I258 HydrophobicContact CD2-CG1 4.33Å; L256-I258 HydrophobicContact CG-CD1 3.86Å; L256-I258 HydrophobicContact CG-CG1 4.35Å; I258-V289 HydrophobicContact CG1-CG1 4.05Å; I258-T290 PolarHBondContact N-O 2.88Å; I258-F291 HydrophobicContact CB-CD1 3.75Å; I258-F291 HydrophobicContact CB-CE1 3.82Å; I258-F291 HydrophobicContact CB-CG 4.45Å; I258-F291 HydrophobicContact CG1-CD1 4.42Å; I258-F291 HydrophobicContact CG1-CE1 4.04Å; I258-F291 HydrophobicContact CG1-CZ 4.38Å; I258-F291 HydrophobicContact CG2-CD1 3.87Å; I258-F291 HydrophobicContact CG2-CE1 3.82Å; I258-F291 CarbonylContact O-C 3.49Å; I258-F291 WeakPolarHBondContact O-CA 3.26Å; I258-V292 PolarHBondContact O-N 2.9Å
259A96.9Very high91.1Very high0 Ų047 Ų470%026%0.26CS..EExtended strand (participates in β ladder)trans-110.6146.2-178.900000111.1M221 S222 L223 N224 V257 V292 P295 L303M221-A259 HydrophobicContact CE-CB 3.71Å; S222-A259 PolarHBondContact O-N 3.39Å; S222-A259 VanDerWaalsContact O-O 3.13Å; L223-A259 VanDerWaalsContact CA-O 3.3Å; L223-A259 WeakPolarHBondContact CA-O 3.41Å; L223-A259 HydrophobicContact CD1-CB 3.79Å; N224-A259 PolarHBondContact N-O 3.38Å; V257-A259 HydrophobicContact CG1-CB 4.26Å; A259-V292 WeakPolarHBondContact CA-O 3.44Å; A259-V292 HydrophobicContact CB-CB 4.08Å; A259-P295 HydrophobicContact CB-CG 4.42Å; A259-L303 HydrophobicContact CB-CD1 4.33Å
260G93.4Very high91.3Very high2 Ų242.7 Ų42.72%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-177.8158.3-174.700000117.4N224 F226 Y262 V292 S294N224-G260 WeakPolarHBondContact O-CA 3.4Å; F226-G260 VanDerWaalsContact CE2-O 3.3Å; F226-G260 WeakPolarHBondContact CE2-O 3.49Å; G260-Y262 PolarHBondContact O-N 2.91Å; G260-V292 PolarHBondContact N-O 3.47Å; G260-S294 WeakPolarHBondContact O-CA 3.37Å; G260-S294 PolarHBondContact O-N 3.05Å
261G89.6Confident91.5Very high34 Ų3444.6 Ų44.635%0.35125%0.246SC..  trans-64.6118.7169.400000110.6F226 N269F226-G261 VanDerWaalsContact CD2-O 3.3Å; F226-G261 WeakPolarHBondContact CD2-O 3.18Å; F226-G261 PolarHBondContact N-O 3.36Å; G261-N269 PolarHBondContact O-ND2 2.92Å; G261-N269 VanDerWaalsContact O-ND2 3.13Å
262Y91.8Very high91.6Very high53 Ų5342.9 Ų42.921%0.20824%0.238CC..  trans-113.6123.8177.4179.4-96.7000110.2F226 G260 P264 N269 F273 R293 S294F226-Y262 HydrophobicContact CD2-CD2 4.14Å; G260-Y262 PolarHBondContact O-N 2.91Å; Y262-P264 HydrophobicContact CE1-CB 3.87Å; Y262-P264 HydrophobicContact CE1-CG 4.22Å; Y262-N269 VanDerWaalsContact CA-OD1 3.24Å; Y262-N269 WeakPolarHBondContact CA-OD1 3.47Å; Y262-N269 WeakPolarHBondContact CD2-OD1 3.41Å; Y262-F273 HydrophobicContact CD2-CB 4.08Å; Y262-F273 HydrophobicContact CD2-CD2 4.21Å; Y262-F273 HydrophobicContact CD2-CG 4.03Å; Y262-F273 HydrophobicContact CE2-CB 3.88Å; Y262-F273 HydrophobicContact CE2-CD1 4.12Å; Y262-F273 AromaticContact CE2-CG 3.9Å; Y262-F273 HydrophobicContact CE2-CG 3.9Å; Y262-R293 HydrophobicContact CD1-CB 4.47Å; Y262-R293 HydrophobicContact CD2-CG 4.21Å; Y262-R293 HydrophobicContact CG-CB 4.15Å; Y262-R293 HydrophobicContact CG-CG 3.99Å; Y262-S294 PolarHBondContact N-OG 2.82Å; Y262-S294 PolarHBondContact O-OG 3.34Å
263D84.6Confident91.9Very high72 Ų7238.3 Ų38.339%0.38521%0.213SC..  trans-125.8105.9176.3-176.4-8.3000109.2E265 L266 N269D263-E265 PolarHBondContact O-N 3.02Å; D263-E265 WeakPolarHBondContact OD1-CB 3.46Å; D263-E265 PolarHBondContact OD1-N 2.73Å; D263-L266 HydrophobicContact CB-CB 4.17Å; D263-L266 PolarHBondContact O-N 3.26Å; D263-N269 PolarHBondContact N-OD1 3.21Å
264P84.9Confident92.1Very high87 Ų8743.2 Ų43.257%0.56524%0.235SC*.THydrogen-bonded Turntrans-68.1-17.2-179.228.8-34.3000113.4Y262 L266Y262-P264 HydrophobicContact CE1-CB 3.87Å; Y262-P264 HydrophobicContact CE1-CG 4.22Å; P264-L266 VanDerWaalsContact C-N 3.33Å
265E81.5Confident92.1Very high184 Ų18447 Ų4786%0.8625%0.253SS*.THydrogen-bonded Turntrans-80.7-19.8177.1-57.7-167.7163.100111.9D263 A267D263-E265 PolarHBondContact O-N 3.02Å; D263-E265 WeakPolarHBondContact OD1-CB 3.46Å; D263-E265 PolarHBondContact OD1-N 2.73Å; E265-A267 PolarHBondContact O-N 3.39Å
266L79.8Confident92.1Very high77 Ų7747 Ų4740%0.40325%0.253SS..SBendtrans-90.6100.9175.5-170.965.1000109.8D263 P264 E268 N269 A270D263-L266 HydrophobicContact CB-CB 4.17Å; D263-L266 PolarHBondContact O-N 3.26Å; P264-L266 VanDerWaalsContact C-N 3.33Å; L266-E268 VanDerWaalsContact C-N 3.27Å; L266-E268 PolarHBondContact O-N 3.39Å; L266-E268 VanDerWaalsContact O-N 3.13Å; L266-N269 HydrophobicContact CB-CB 3.98Å; L266-N269 HydrophobicContact CD2-CB 4.04Å; L266-N269 HydrophobicContact CG-CB 4.14Å; L266-N269 WeakPolarHBondContact O-CA 3.45Å; L266-N269 WeakPolarHBondContact O-CB 3.36Å; L266-N269 PolarHBondContact O-N 3.12Å; L266-A270 PolarHBondContact O-N 2.93Å; L266-A270 VanDerWaalsContact O-N 3.12Å
267A86.6Confident92Very high62 Ų6251 Ų5151%0.51227%0.272SS..Hα-helixtrans-49.4-43.5-176.600000113.8E265 N269 A270 E271E265-A267 PolarHBondContact O-N 3.39Å; A267-N269 VanDerWaalsContact C-N 3.28Å; A267-N269 PolarHBondContact O-N 3.46Å; A267-A270 PolarHBondContact O-N 3.26Å; A267-E271 WeakPolarHBondContact O-CB 3.42Å; A267-E271 VanDerWaalsContact O-CG 3.22Å; A267-E271 WeakPolarHBondContact O-CG 3.14Å; A267-E271 PolarHBondContact O-N 3.08Å
268E88.5Confident92Very high84 Ų8457.3 Ų57.339%0.39330%0.301SS..Hα-helixtrans-59-39176.3171.1171.1-161.600112.6L266 H272L266-E268 VanDerWaalsContact C-N 3.27Å; L266-E268 PolarHBondContact O-N 3.39Å; L266-E268 VanDerWaalsContact O-N 3.13Å; E268-H272 WeakPolarHBondContact O-CB 3.41Å; E268-H272 PolarHBondContact O-N 3.29Å
269N91.7Very high92Very high4 Ų458.4 Ų58.42%0.02131%0.307CS..Hα-helixtrans-72.3-44.5-177.1-172.6-85.1000111.6F226 G261 Y262 D263 L266 A267 F273F226-N269 PolarHBondContact N-ND2 3.3Å; F226-N269 VanDerWaalsContact O-CA 3.26Å; F226-N269 WeakPolarHBondContact O-CA 3.32Å; F226-N269 PolarHBondContact O-ND2 3.21Å; G261-N269 PolarHBondContact O-ND2 2.92Å; G261-N269 VanDerWaalsContact O-ND2 3.13Å; Y262-N269 VanDerWaalsContact CA-OD1 3.24Å; Y262-N269 WeakPolarHBondContact CA-OD1 3.47Å; Y262-N269 WeakPolarHBondContact CD2-OD1 3.41Å; D263-N269 PolarHBondContact N-OD1 3.21Å; L266-N269 HydrophobicContact CB-CB 3.98Å; L266-N269 HydrophobicContact CD2-CB 4.04Å; L266-N269 HydrophobicContact CG-CB 4.14Å; L266-N269 WeakPolarHBondContact O-CA 3.45Å; L266-N269 WeakPolarHBondContact O-CB 3.36Å; L266-N269 PolarHBondContact O-N 3.12Å; A267-N269 VanDerWaalsContact C-N 3.28Å; A267-N269 PolarHBondContact O-N 3.46Å; N269-F273 WeakPolarHBondContact O-CB 3.45Å; N269-F273 PolarHBondContact O-N 3.26Å
270A91.5Very high92Very high19 Ų1958.5 Ų58.516%0.15731%0.308CS..Hα-helixtrans-64.1-46.2175.800000112.5L266 A267 Q274L266-A270 PolarHBondContact O-N 2.93Å; L266-A270 VanDerWaalsContact O-N 3.12Å; A267-A270 PolarHBondContact O-N 3.26Å; A270-Q274 PolarHBondContact O-N 2.91Å
271E95.3Very high92.2Very high97 Ų9761 Ų6145%0.45333%0.325SS..Hα-helixtrans-62.2-47176.7-73.1169.7-168.800111.5R228 A267 F273 Q274 E275R228-E271 IonicContact CZ-OE2 3.21Å; R228-E271 IonicContact NH1-OE2 3.38Å; R228-E271 IonicContact NH2-OE2 2.78Å; R228-E271 PolarHBondContact NH2-OE2 3.43Å; R228-E271 VanDerWaalsContact NH2-OE2 3.14Å; A267-E271 WeakPolarHBondContact O-CB 3.42Å; A267-E271 VanDerWaalsContact O-CG 3.22Å; A267-E271 WeakPolarHBondContact O-CG 3.14Å; A267-E271 PolarHBondContact O-N 3.08Å; E271-F273 VanDerWaalsContact C-N 3.32Å; E271-F273 PolarHBondContact O-N 3.46Å; E271-Q274 WeakPolarHBondContact O-CB 3.46Å; E271-Q274 PolarHBondContact O-N 3.2Å; E271-E275 WeakPolarHBondContact O-CG 3.39Å; E271-E275 PolarHBondContact O-N 3.17Å
272H95.3Very high92.6Very high11 Ų1163.4 Ų63.45%0.05134%0.337CS..Hα-helixtrans-68-34-176.7-169.748.6000112.4E227 R228 E268 Q274 E275 L276E227-H272 VanDerWaalsContact C-CD2 3.46Å; R228-H272 HydrophobicContact CG-CB 4.18Å; R228-H272 WeakPolarHBondContact CG-ND1 3.27Å; E268-H272 WeakPolarHBondContact O-CB 3.41Å; E268-H272 PolarHBondContact O-N 3.29Å; H272-Q274 VanDerWaalsContact C-N 3.34Å; H272-Q274 PolarHBondContact O-N 2.92Å; H272-E275 IonicContact CE1-OE2 3.28Å; H272-E275 IonicContact CG-OE2 3.57Å; H272-E275 IonicContact ND1-OE2 3.44Å; H272-E275 PolarHBondContact ND1-OE2 3.27Å; H272-E275 WeakPolarHBondContact O-CB 3.47Å; H272-E275 PolarHBondContact O-N 3.43Å; H272-L276 VanDerWaalsContact O-CG 3.31Å; H272-L276 WeakPolarHBondContact O-CG 3.42Å; H272-L276 PolarHBondContact O-N 3.22Å
273F96.5Very high92.9Very high9 Ų963.1 Ų63.14%0.03934%0.338CS..Hα-helixtrans-57.4-47.6171-179.9-94.6000111.4F226 Y262 N269 E271 E275 L276 E277 F291 R293F226-F273 HydrophobicContact CB-CB 4.47Å; F226-F273 AromaticContact CD1-CD2 3.81Å; F226-F273 HydrophobicContact CD1-CD2 3.81Å; F226-F273 HydrophobicContact CD2-CD2 4.06Å; F226-F273 AromaticContact CE1-CD2 3.61Å; F226-F273 HydrophobicContact CE1-CD2 3.61Å; F226-F273 HydrophobicContact CE1-CE2 4.04Å; F226-F273 AromaticContact CE2-CD2 3.9Å; F226-F273 HydrophobicContact CE2-CD2 3.9Å; F226-F273 HydrophobicContact CE2-CE2 4.29Å; F226-F273 HydrophobicContact CG-CB 4.37Å; F226-F273 HydrophobicContact CG-CD2 4.04Å; F226-F273 AromaticContact CZ-CD2 3.68Å; F226-F273 HydrophobicContact CZ-CD2 3.68Å; F226-F273 AromaticContact CZ-CE2 3.84Å; F226-F273 HydrophobicContact CZ-CE2 3.84Å; Y262-F273 HydrophobicContact CD2-CB 4.08Å; Y262-F273 HydrophobicContact CD2-CD2 4.21Å; Y262-F273 HydrophobicContact CD2-CG 4.03Å; Y262-F273 HydrophobicContact CE2-CB 3.88Å; Y262-F273 HydrophobicContact CE2-CD1 4.12Å; Y262-F273 AromaticContact CE2-CG 3.9Å; Y262-F273 HydrophobicContact CE2-CG 3.9Å; N269-F273 WeakPolarHBondContact O-CB 3.45Å; N269-F273 PolarHBondContact O-N 3.26Å; E271-F273 VanDerWaalsContact C-N 3.32Å; E271-F273 PolarHBondContact O-N 3.46Å; F273-E275 PolarHBondContact O-N 3.47Å; F273-L276 PolarHBondContact O-N 3.07Å; F273-E277 HydrophobicContact CD1-CG 4.44Å; F273-E277 HydrophobicContact CE1-CG 3.93Å; F273-E277 WeakPolarHBondContact CE1-OE1 3.22Å; F273-E277 VanDerWaalsContact CE1-OE2 3.26Å; F273-E277 WeakPolarHBondContact CE1-OE2 3.15Å; F273-E277 HydrophobicContact CZ-CG 4.08Å; F273-E277 PolarHBondContact O-N 3.35Å; F273-E277 VanDerWaalsContact O-N 3.08Å; F273-F291 HydrophobicContact CE2-CB 4.02Å; F273-F291 AromaticContact CE2-CD1 3.98Å; F273-F291 HydrophobicContact CE2-CD1 3.98Å; F273-F291 HydrophobicContact CE2-CG 4.31Å; F273-F291 HydrophobicContact CZ-CB 4.1Å; F273-F291 HydrophobicContact CZ-CG 4.48Å; F273-R293 HydrophobicContact CD2-CG 4.08Å; F273-R293 HydrophobicContact CE2-CG 3.45Å; F273-R293 VanDerWaalsContact CE2-CG 3.45Å; F273-R293 HydrophobicContact CZ-CG 3.74Å
274Q96Very high93.4Very high111 Ų11167.6 Ų67.652%0.51936%0.359SS..Hα-helixtrans-63.4-39.4177.1-67.9177.7-8.500112.5A270 E271 H272 L276 E277 Q278A270-Q274 PolarHBondContact O-N 2.91Å; E271-Q274 WeakPolarHBondContact O-CB 3.46Å; E271-Q274 PolarHBondContact O-N 3.2Å; H272-Q274 VanDerWaalsContact C-N 3.34Å; H272-Q274 PolarHBondContact O-N 2.92Å; Q274-L276 VanDerWaalsContact C-N 3.29Å; Q274-L276 PolarHBondContact O-N 3.28Å; Q274-E277 PolarHBondContact O-N 3.32Å; Q274-Q278 WeakPolarHBondContact O-CB 3.2Å; Q274-Q278 VanDerWaalsContact O-CG 3.3Å; Q274-Q278 WeakPolarHBondContact O-CG 3.14Å; Q274-Q278 PolarHBondContact O-N 2.87Å
275E97.3Very high94Very high79 Ų7963.7 Ų63.737%0.36933%0.333SS..Hα-helixtrans-58.6-41.2174.4-71.1170.317400111.8R228 E271 H272 F273 L279R228-E275 IonicContact CZ-OE1 3.48Å; R228-E275 IonicContact CZ-OE2 3.74Å; R228-E275 IonicContact NE-OE1 2.78Å; R228-E275 PolarHBondContact NE-OE1 3.37Å; R228-E275 IonicContact NE-OE2 3.62Å; R228-E275 PolarHBondContact NE-OE2 3.48Å; R228-E275 IonicContact NH2-OE1 3.03Å; R228-E275 PolarHBondContact NH2-OE1 2.87Å; R228-E275 IonicContact NH2-OE2 2.75Å; E271-E275 WeakPolarHBondContact O-CG 3.39Å; E271-E275 PolarHBondContact O-N 3.17Å; H272-E275 IonicContact CE1-OE2 3.28Å; H272-E275 IonicContact CG-OE2 3.57Å; H272-E275 IonicContact ND1-OE2 3.44Å; H272-E275 PolarHBondContact ND1-OE2 3.27Å; H272-E275 WeakPolarHBondContact O-CB 3.47Å; H272-E275 PolarHBondContact O-N 3.43Å; F273-E275 PolarHBondContact O-N 3.47Å; E275-L279 VanDerWaalsContact O-CB 3.31Å; E275-L279 WeakPolarHBondContact O-CB 3.4Å; E275-L279 PolarHBondContact O-N 3.13Å
276L97.7Very high94.5Very high2 Ų259.6 Ų59.61%0.0132%0.317CS..Hα-helixtrans-70.3-38.7179.2-67168.6000112.2F226 I232 L236 H272 F273 Q274 L279 S280 F291F226-L276 HydrophobicContact CD1-CD1 3.91Å; F226-L276 HydrophobicContact CE1-CD1 4.47Å; I232-L276 HydrophobicContact CB-CD1 4.01Å; I232-L276 HydrophobicContact CB-CD2 4.04Å; I232-L276 HydrophobicContact CD1-CD1 4.06Å; I232-L276 HydrophobicContact CG2-CD1 3.91Å; I232-L276 HydrophobicContact CG2-CD2 4.07Å; L236-L276 HydrophobicContact CD1-CB 4.3Å; L236-L276 HydrophobicContact CD1-CD2 3.88Å; H272-L276 VanDerWaalsContact O-CG 3.31Å; H272-L276 WeakPolarHBondContact O-CG 3.42Å; H272-L276 PolarHBondContact O-N 3.22Å; F273-L276 PolarHBondContact O-N 3.07Å; Q274-L276 VanDerWaalsContact C-N 3.29Å; Q274-L276 PolarHBondContact O-N 3.28Å; L276-L279 PolarHBondContact O-N 2.93Å; L276-S280 WeakPolarHBondContact O-CB 3.47Å; L276-S280 PolarHBondContact O-N 3.49Å; L276-F291 HydrophobicContact CB-CE1 3.81Å; L276-F291 HydrophobicContact CB-CZ 4.17Å
277E97.2Very high95.1Very high84 Ų8464.1 Ų64.139%0.39334%0.336SS..Hα-helixtrans-63.4-44.1173.7-72.3-171.4129.300111.5F273 Q274 L279 S280 S281 F291F273-E277 HydrophobicContact CD1-CG 4.44Å; F273-E277 HydrophobicContact CE1-CG 3.93Å; F273-E277 WeakPolarHBondContact CE1-OE1 3.22Å; F273-E277 VanDerWaalsContact CE1-OE2 3.26Å; F273-E277 WeakPolarHBondContact CE1-OE2 3.15Å; F273-E277 HydrophobicContact CZ-CG 4.08Å; F273-E277 PolarHBondContact O-N 3.35Å; F273-E277 VanDerWaalsContact O-N 3.08Å; Q274-E277 PolarHBondContact O-N 3.32Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 3.05Å; E277-S280 PolarHBondContact O-N 3.08Å; E277-S281 PolarHBondContact O-N 3.46Å; E277-S281 PolarHBondContact O-OG 3.14Å; E277-F291 HydrophobicContact CG-CD2 4.22Å; E277-F291 HydrophobicContact CG-CE2 4.22Å; E277-F291 HydrophobicContact CG-CG 4.4Å; E277-F291 HydrophobicContact CG-CZ 4.4Å
278Q97.9Very high95.5Very high133 Ų13361.5 Ų61.562%0.62131%0.314SS*.Hα-helixtrans-63-41.7175.6-72.1174.38.200111.7Q274 S281 S282Q274-Q278 WeakPolarHBondContact O-CB 3.2Å; Q274-Q278 VanDerWaalsContact O-CG 3.3Å; Q274-Q278 WeakPolarHBondContact O-CG 3.14Å; Q274-Q278 PolarHBondContact O-N 2.87Å; Q278-S281 WeakPolarHBondContact O-CB 3.27Å; Q278-S281 PolarHBondContact O-N 3.43Å; Q278-S282 PolarHBondContact O-N 2.95Å
279L98.1Very high95.9Very high23 Ų2358 Ų5812%0.1230%0.299CS..Hα-helixtrans-61.8-47175.5177.857.4000111.2L236 Y237 E275 L276 E277 S281 S282 L283L236-L279 HydrophobicContact CB-CD2 4.34Å; L236-L279 HydrophobicContact CD1-CB 4.27Å; L236-L279 HydrophobicContact CD1-CD2 3.88Å; L236-L279 HydrophobicContact CD1-CG 4.06Å; Y237-L279 HydrophobicContact CE1-CD1 3.77Å; Y237-L279 HydrophobicContact CE2-CD1 4.39Å; Y237-L279 HydrophobicContact CE2-CD2 3.97Å; Y237-L279 WeakPolarHBondContact OH-CD1 3.26Å; E275-L279 VanDerWaalsContact O-CB 3.31Å; E275-L279 WeakPolarHBondContact O-CB 3.4Å; E275-L279 PolarHBondContact O-N 3.13Å; L276-L279 PolarHBondContact O-N 2.93Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 3.05Å; L279-S281 VanDerWaalsContact C-N 3.28Å; L279-S281 PolarHBondContact O-N 3.05Å; L279-S282 PolarHBondContact O-N 3.31Å; L279-S282 VanDerWaalsContact O-N 3.14Å; L279-S282 PolarHBondContact O-OG 2.94Å; L279-L283 HydrophobicContact CD1-CD1 3.9Å; L279-L283 HydrophobicContact CD1-CG 4.1Å; L279-L283 HydrophobicContact CG-CD1 4.07Å; L279-L283 WeakPolarHBondContact O-CG 3.37Å; L279-L283 PolarHBondContact O-N 3.44Å
280S97.9Very high96.2Very high2 Ų258.8 Ų58.81%0.01430%0.304CS..Hα-helixtrans-55.9-43.3175-178.80000111.9L276 E277 L283 M284 L285L276-S280 WeakPolarHBondContact O-CB 3.47Å; L276-S280 PolarHBondContact O-N 3.49Å; E277-S280 PolarHBondContact O-N 3.08Å; S280-L283 PolarHBondContact O-N 3.04Å; S280-M284 PolarHBondContact O-N 3Å; S280-L285 PolarHBondContact O-N 2.99Å
281S97.5Very high96.5Very high53 Ų5360 Ų6037%0.37131%0.305SS..Hα-helixtrans-63.5-44175.3-71.60000112.5E277 Q278 L279 L283 M284 N286E277-S281 PolarHBondContact O-N 3.46Å; E277-S281 PolarHBondContact O-OG 3.14Å; Q278-S281 WeakPolarHBondContact O-CB 3.27Å; Q278-S281 PolarHBondContact O-N 3.43Å; L279-S281 VanDerWaalsContact C-N 3.28Å; L279-S281 PolarHBondContact O-N 3.05Å; S281-L283 PolarHBondContact O-N 3.38Å; S281-M284 PolarHBondContact O-N 2.77Å; S281-N286 VanDerWaalsContact CA-OD1 3.26Å; S281-N286 WeakPolarHBondContact CA-OD1 3.47Å; S281-N286 PolarHBondContact N-OD1 2.72Å; S281-N286 PolarHBondContact OG-ND2 3.47Å; S281-N286 PolarHBondContact OG-OD1 2.88Å
282S97.7Very high96.6Very high86 Ų8656.2 Ų56.260%0.60129%0.289SS*.Hα-helixtrans-65.5-27.5179.575.30000113.4Q278 L279 M284Q278-S282 PolarHBondContact O-N 2.95Å; L279-S282 PolarHBondContact O-N 3.31Å; L279-S282 VanDerWaalsContact O-N 3.14Å; L279-S282 PolarHBondContact O-OG 2.94Å; S282-M284 VanDerWaalsContact C-N 3.3Å
283L97.5Very high96.5Very high46 Ų4662.4 Ų62.424%0.24131%0.312CS..THydrogen-bonded Turntrans-884.2175.3-65.3173.7000112.9L236 Y237 A240 L279 S280 S281 L285L236-L283 HydrophobicContact CB-CD1 4.21Å; Y237-L283 HydrophobicContact CD1-CD1 3.83Å; Y237-L283 HydrophobicContact CD1-CD2 4.08Å; Y237-L283 HydrophobicContact CE1-CD1 4.1Å; Y237-L283 HydrophobicContact CE1-CD2 4.1Å; A240-L283 HydrophobicContact CB-CB 4.44Å; A240-L283 HydrophobicContact CB-CD1 4.28Å; A240-L283 HydrophobicContact CB-CD2 4.37Å; L279-L283 HydrophobicContact CD1-CD1 3.9Å; L279-L283 HydrophobicContact CD1-CG 4.1Å; L279-L283 HydrophobicContact CG-CD1 4.07Å; L279-L283 WeakPolarHBondContact O-CG 3.37Å; L279-L283 PolarHBondContact O-N 3.44Å; S280-L283 PolarHBondContact O-N 3.04Å; S281-L283 PolarHBondContact O-N 3.38Å; L283-L285 VanDerWaalsContact C-N 3.31Å; L283-L285 HydrophobicContact CB-CD1 3.82Å; L283-L285 HydrophobicContact CB-CG 3.79Å; L283-L285 HydrophobicContact CD1-CD1 4.12Å; L283-L285 PolarHBondContact O-N 3.36Å
284M96.2Very high96.3Very high167 Ų16765 Ų6582%0.82333%0.332SS*.THydrogen-bonded Turntrans58.637.8-177.5-57.7-65.8-68.500113.3S280 S281 S282S280-M284 PolarHBondContact O-N 3Å; S281-M284 PolarHBondContact O-N 2.77Å; S282-M284 VanDerWaalsContact C-N 3.3Å
285L96.5Very high96.1Very high4 Ų461 Ų612%0.02132%0.315CS..  trans-103.55.6-174.9-62178.1000114.6L236 F239 A240 S280 L283 E287 S288 V289L236-L285 HydrophobicContact CD2-CD1 4.45Å; F239-L285 HydrophobicContact CD1-CD1 4.14Å; F239-L285 HydrophobicContact CD1-CD2 4.09Å; F239-L285 HydrophobicContact CE1-CD2 4.32Å; A240-L285 HydrophobicContact CB-CD1 4.2Å; A240-L285 HydrophobicContact CB-CD2 4.47Å; S280-L285 PolarHBondContact O-N 2.99Å; L283-L285 VanDerWaalsContact C-N 3.31Å; L283-L285 HydrophobicContact CB-CD1 3.82Å; L283-L285 HydrophobicContact CB-CG 3.79Å; L283-L285 HydrophobicContact CD1-CD1 4.12Å; L283-L285 PolarHBondContact O-N 3.36Å; L285-E287 PolarHBondContact O-N 3.16Å; L285-E287 VanDerWaalsContact O-N 3.09Å; L285-S288 CarbonylContact O-C 3.52Å; L285-S288 PolarHBondContact O-N 3Å; L285-V289 HydrophobicContact CB-CG2 3.63Å; L285-V289 HydrophobicContact CD1-CG2 4.14Å; L285-V289 HydrophobicContact CG-CG2 4.47Å; L285-V289 PolarHBondContact O-N 3.39Å
286N92Very high95.7Very high98 Ų9860.1 Ų60.152%0.52432%0.317SS..THydrogen-bonded Turntrans-56.6-30.7-170.4-70.6-19.7000115.1S281S281-N286 VanDerWaalsContact CA-OD1 3.26Å; S281-N286 WeakPolarHBondContact CA-OD1 3.47Å; S281-N286 PolarHBondContact N-OD1 2.72Å; S281-N286 PolarHBondContact OG-ND2 3.47Å; S281-N286 PolarHBondContact OG-OD1 2.88Å
287E92.1Very high95.1Very high172 Ų17264.5 Ų64.580%0.80434%0.338SS*.THydrogen-bonded Turntrans-88.7-9.3178.3-61.3-174.5173.400113.4L285L285-E287 PolarHBondContact O-N 3.16Å; L285-E287 VanDerWaalsContact O-N 3.09Å
288S95.4Very high94.6Very high8 Ų862 Ų626%0.05633%0.327CS..THydrogen-bonded Turntrans-119.82.1-171.9-54.10000113.3F239 R243 H255 L256 L285F239-S288 WeakPolarHBondContact CE1-O 3.19Å; R243-S288 VanDerWaalsContact NH1-CB 3.31Å; R243-S288 PolarHBondContact NH1-OG 3.21Å; R243-S288 PolarHBondContact NH2-OG 3.15Å; H255-S288 PolarHBondContact ND1-O 2.84Å; L256-S288 PolarHBondContact N-O 2.7Å; L285-S288 CarbonylContact O-C 3.52Å; L285-S288 PolarHBondContact O-N 3Å
289V97.8Very high94.3Very high10 Ų1057.1 Ų57.16%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-128.7125.2178.61770000109.4L236 F239 L256 I258 L285 F291L236-V289 HydrophobicContact CD2-CG1 4.07Å; L236-V289 HydrophobicContact CD2-CG2 4.12Å; F239-V289 HydrophobicContact CD1-CG2 4.14Å; F239-V289 HydrophobicContact CE1-CG2 4.15Å; L256-V289 HydrophobicContact CB-CG2 4.13Å; L256-V289 HydrophobicContact CD2-CG2 4.21Å; L256-V289 CarbonylContact O-C 3.4Å; L256-V289 VanDerWaalsContact O-CA 3.23Å; L256-V289 WeakPolarHBondContact O-CA 3.31Å; I258-V289 HydrophobicContact CG1-CG1 4.05Å; L285-V289 HydrophobicContact CB-CG2 3.63Å; L285-V289 HydrophobicContact CD1-CG2 4.14Å; L285-V289 HydrophobicContact CG-CG2 4.47Å; L285-V289 PolarHBondContact O-N 3.39Å; V289-F291 HydrophobicContact CG1-CD2 4Å; V289-F291 HydrophobicContact CG1-CE2 3.57Å; V289-F291 HydrophobicContact CG1-CZ 4.05Å
290T97.5Very high94Very high21 Ų2157.1 Ų57.113%0.12931%0.306CS..EExtended strand (participates in β ladder)trans-108.3126.4171.6-60.80000109.9G211 H255 L256 V257 I258 V292G211-T290 WeakPolarHBondContact O-CG2 3.5Å; G211-T290 PolarHBondContact O-OG1 2.86Å; H255-T290 PolarHBondContact NE2-OG1 3.01Å; L256-T290 PolarHBondContact O-N 2.93Å; V257-T290 WeakPolarHBondContact CA-O 3.25Å; I258-T290 PolarHBondContact N-O 2.88Å; T290-V292 HydrophobicContact CG2-CG2 4Å
291F97.2Very high93.7Very high43 Ų4357.5 Ų57.519%0.18931%0.307CS..EExtended strand (participates in β ladder)trans-94.5123.9172.3-73.1-91.1000110.7F226 L236 I258 F273 L276 E277 V289F226-F291 HydrophobicContact CE1-CD1 4.47Å; L236-F291 HydrophobicContact CD2-CZ 4.48Å; I258-F291 HydrophobicContact CB-CD1 3.75Å; I258-F291 HydrophobicContact CB-CE1 3.82Å; I258-F291 HydrophobicContact CB-CG 4.45Å; I258-F291 HydrophobicContact CG1-CD1 4.42Å; I258-F291 HydrophobicContact CG1-CE1 4.04Å; I258-F291 HydrophobicContact CG1-CZ 4.38Å; I258-F291 HydrophobicContact CG2-CD1 3.87Å; I258-F291 HydrophobicContact CG2-CE1 3.82Å; I258-F291 CarbonylContact O-C 3.49Å; I258-F291 WeakPolarHBondContact O-CA 3.26Å; F273-F291 HydrophobicContact CE2-CB 4.02Å; F273-F291 AromaticContact CE2-CD1 3.98Å; F273-F291 HydrophobicContact CE2-CD1 3.98Å; F273-F291 HydrophobicContact CE2-CG 4.31Å; F273-F291 HydrophobicContact CZ-CB 4.1Å; F273-F291 HydrophobicContact CZ-CG 4.48Å; L276-F291 HydrophobicContact CB-CE1 3.81Å; L276-F291 HydrophobicContact CB-CZ 4.17Å; E277-F291 HydrophobicContact CG-CD2 4.22Å; E277-F291 HydrophobicContact CG-CE2 4.22Å; E277-F291 HydrophobicContact CG-CG 4.4Å; E277-F291 HydrophobicContact CG-CZ 4.4Å; V289-F291 HydrophobicContact CG1-CD2 4Å; V289-F291 HydrophobicContact CG1-CE2 3.57Å; V289-F291 HydrophobicContact CG1-CZ 4.05Å
292V96.4Very high93.4Very high19 Ų1955 Ų5512%0.11529%0.29CS..EExtended strand (participates in β ladder)trans-118.3108.3179.6-172.80000109.8V257 I258 A259 G260 T290 P295 T299 L303V257-V292 HydrophobicContact CG1-CG2 4.01Å; I258-V292 PolarHBondContact O-N 2.9Å; A259-V292 WeakPolarHBondContact CA-O 3.44Å; A259-V292 HydrophobicContact CB-CB 4.08Å; G260-V292 PolarHBondContact N-O 3.47Å; T290-V292 HydrophobicContact CG2-CG2 4Å; V292-P295 HydrophobicContact CG1-CB 3.89Å; V292-P295 HydrophobicContact CG1-CG 4.48Å; V292-T299 HydrophobicContact CG1-CG2 4.35Å; V292-L303 HydrophobicContact CG1-CD1 4.44Å; V292-L303 HydrophobicContact CG2-CD1 4.28Å
293R94.7Very high93.2Very high140 Ų14051.1 Ų51.153%0.52826%0.262SS..EExtended strand (participates in β ladder)trans-87.6127.6-179.8-67.6-177.2-63.91760.5110.9F226 Y262 F273F226-R293 HydrophobicContact CE2-CG 4.23Å; Y262-R293 HydrophobicContact CD1-CB 4.47Å; Y262-R293 HydrophobicContact CD2-CG 4.21Å; Y262-R293 HydrophobicContact CG-CB 4.15Å; Y262-R293 HydrophobicContact CG-CG 3.99Å; F273-R293 HydrophobicContact CD2-CG 4.08Å; F273-R293 HydrophobicContact CE2-CG 3.45Å; F273-R293 VanDerWaalsContact CE2-CG 3.45Å; F273-R293 HydrophobicContact CZ-CG 3.74Å
294S92.4Very high93Very high65 Ų6548.9 Ų48.946%0.45525%0.251SS..SBendtrans4458.8177.1-61.80000112.5G260 Y262 S296G260-S294 WeakPolarHBondContact O-CA 3.37Å; G260-S294 PolarHBondContact O-N 3.05Å; Y262-S294 PolarHBondContact N-OG 2.82Å; Y262-S294 PolarHBondContact O-OG 3.34Å; S294-S296 PolarHBondContact O-N 2.9Å
295P91.7Very high92.7Very high26 Ų2643.6 Ų43.617%0.16923%0.23CC..  trans-55.8140.9-179.625.4-34.6000110.4A259 V292 T299 K300A259-P295 HydrophobicContact CB-CG 4.42Å; V292-P295 HydrophobicContact CG1-CB 3.89Å; V292-P295 HydrophobicContact CG1-CG 4.48Å; P295-T299 HydrophobicContact CB-CG2 3.85Å; P295-K300 HydrophobicContact CB-CB 4.41Å; P295-K300 HydrophobicContact CG-CB 4.46Å
296S88.9Confident92.5Very high60 Ų6047.5 Ų47.542%0.4225%0.251SS..  trans-61.8163168.373.70000109.9S294 D298 T299 K300S294-S296 PolarHBondContact O-N 2.9Å; S296-D298 PolarHBondContact O-N 2.84Å; S296-T299 PolarHBondContact O-N 2.86Å; S296-T299 WeakPolarHBondContact OG-CB 3.4Å; S296-T299 PolarHBondContact OG-N 3.13Å; S296-T299 VanDerWaalsContact OG-N 3.08Å; S296-T299 PolarHBondContact OG-OG1 3.18Å; S296-K300 VanDerWaalsContact O-CB 3.31Å; S296-K300 WeakPolarHBondContact O-CB 3.47Å; S296-K300 PolarHBondContact O-N 3.05Å
297E84.5Confident92.7Very high95 Ų9543 Ų4344%0.44423%0.227SC..Hα-helixtrans-58.5-37.2176.4-71.1-63.2126.800112.1K300 L301E297-K300 PolarHBondContact O-N 3.24Å; E297-L301 VanDerWaalsContact O-CB 3.3Å; E297-L301 WeakPolarHBondContact O-CB 3.21Å; E297-L301 PolarHBondContact O-N 3.09Å
298D87.5Confident92.9Very high32 Ų3235.5 Ų35.517%0.17119%0.193CC..Hα-helixtrans-72-40.4178.8-56.3-50.5000111.6R200 V205 S296 L301 A302R200-D298 IonicContact CZ-OD1 3.64Å; R200-D298 VanDerWaalsContact CZ-OD1 3.22Å; R200-D298 IonicContact NE-OD1 2.85Å; R200-D298 PolarHBondContact NE-OD1 3.48Å; R200-D298 IonicContact NH2-OD1 3.14Å; R200-D298 PolarHBondContact NH2-OD1 2.97Å; R200-D298 IonicContact NH2-OD2 3.22Å; R200-D298 PolarHBondContact NH2-OD2 3.06Å; R200-D298 VanDerWaalsContact NH2-OD2 3.15Å; V205-D298 HydrophobicContact CG2-CB 4.31Å; S296-D298 PolarHBondContact O-N 2.84Å; D298-L301 PolarHBondContact O-N 3.34Å; D298-A302 WeakPolarHBondContact O-CB 3.28Å; D298-A302 PolarHBondContact O-N 3.23Å
299T91.5Very high93.1Very high29 Ų2935.1 Ų35.118%0.17819%0.191CC..Hα-helixtrans-62.4-44.7171.8-60.60000111.2V292 P295 S296 L301 A302 L303V292-T299 HydrophobicContact CG1-CG2 4.35Å; P295-T299 HydrophobicContact CB-CG2 3.85Å; S296-T299 PolarHBondContact O-N 2.86Å; S296-T299 WeakPolarHBondContact OG-CB 3.4Å; S296-T299 PolarHBondContact OG-N 3.13Å; S296-T299 VanDerWaalsContact OG-N 3.08Å; S296-T299 PolarHBondContact OG-OG1 3.18Å; T299-L301 VanDerWaalsContact C-N 3.33Å; T299-L301 PolarHBondContact O-N 3.27Å; T299-A302 PolarHBondContact O-N 2.8Å; T299-L303 HydrophobicContact CG2-CD1 4.04Å; T299-L303 HydrophobicContact CG2-CG 4.43Å; T299-L303 WeakPolarHBondContact O-CB 3.48Å; T299-L303 VanDerWaalsContact O-CG 3.26Å; T299-L303 WeakPolarHBondContact O-CG 3.49Å; T299-L303 PolarHBondContact O-N 3.41Å
300K92.1Very high93.1Very high24 Ų2434.7 Ų34.710%0.10419%0.188CC..Hα-helixtrans-59.9-44.5176.8175.2-178.8163.4-1750110.8L223 P295 S296 E297 L303 L304 E325L223-K300 HydrophobicContact CD2-CD 4Å; L223-K300 HydrophobicContact CD2-CG 3.9Å; P295-K300 HydrophobicContact CB-CB 4.41Å; P295-K300 HydrophobicContact CG-CB 4.46Å; S296-K300 VanDerWaalsContact O-CB 3.31Å; S296-K300 WeakPolarHBondContact O-CB 3.47Å; S296-K300 PolarHBondContact O-N 3.05Å; E297-K300 PolarHBondContact O-N 3.24Å; K300-L303 PolarHBondContact O-N 2.88Å; K300-L304 HydrophobicContact CG-CD1 4.08Å; K300-L304 WeakPolarHBondContact O-CB 3.49Å; K300-L304 WeakPolarHBondContact O-CG 3.42Å; K300-L304 PolarHBondContact O-N 2.98Å; K300-E325 WeakPolarHBondContact CE-OE2 3.44Å; K300-E325 IonicContact NZ-OE1 2.83Å; K300-E325 PolarHBondContact NZ-OE1 2.82Å; K300-E325 IonicContact NZ-OE2 3.97Å; K300-E325 PolarHBondContact NZ-OE2 3.32Å
301L90.6Very high93.1Very high9 Ų933.7 Ų33.75%0.04718%0.182CC..Hα-helixtrans-66.5-41.2178.9-17562.7000112L197 R200 A202 E297 D298 T299 L304 S305L197-L301 HydrophobicContact CD2-CD1 4.3Å; R200-L301 HydrophobicContact CB-CD2 4.09Å; R200-L301 HydrophobicContact CG-CD2 4.01Å; R200-L301 WeakPolarHBondContact O-CD2 3.43Å; A202-L301 HydrophobicContact CB-CD2 4.29Å; A202-L301 HydrophobicContact CB-CG 4.21Å; E297-L301 VanDerWaalsContact O-CB 3.3Å; E297-L301 WeakPolarHBondContact O-CB 3.21Å; E297-L301 PolarHBondContact O-N 3.09Å; D298-L301 PolarHBondContact O-N 3.34Å; T299-L301 VanDerWaalsContact C-N 3.33Å; T299-L301 PolarHBondContact O-N 3.27Å; L301-L304 PolarHBondContact O-N 3.28Å; L301-S305 VanDerWaalsContact O-CB 3.26Å; L301-S305 WeakPolarHBondContact O-CB 3.37Å; L301-S305 PolarHBondContact O-N 3.21Å; L301-S305 PolarHBondContact O-OG 3.02Å
302A91.3Very high93.2Very high1 Ų132 Ų321%0.00817%0.174CC..Hα-helixtrans-62-45.1174.900000111.7A202 V205 D298 T299 S305 N306A202-A302 HydrophobicContact CB-CB 4.27Å; V205-A302 HydrophobicContact CB-CB 4Å; V205-A302 HydrophobicContact CG1-CB 4.08Å; D298-A302 WeakPolarHBondContact O-CB 3.28Å; D298-A302 PolarHBondContact O-N 3.23Å; T299-A302 PolarHBondContact O-N 2.8Å; A302-S305 PolarHBondContact O-N 3.14Å; A302-N306 PolarHBondContact O-N 3.43Å; A302-N306 PolarHBondContact O-ND2 2.99Å
303L94.2Very high93.2Very high4 Ų431 Ų312%0.02117%0.168CC..Hα-helixtrans-62.7-47.3176.6-71.8173.9000112.2C210 I212 M221 V257 A259 V292 T299 K300 N306 C307C210-L303 HydrophobicContact CB-CD2 3.77Å; C210-L303 HydrophobicContact CB-CG 4.34Å; I212-L303 HydrophobicContact CD1-CD2 3.51Å; I212-L303 HydrophobicContact CG1-CD2 4.48Å; M221-L303 HydrophobicContact CE-CB 3.56Å; M221-L303 HydrophobicContact CE-CD1 3.89Å; M221-L303 HydrophobicContact CE-CG 4.36Å; M221-L303 HydrophobicContact SD-CB 3.79Å; V257-L303 HydrophobicContact CG1-CD1 4.17Å; V257-L303 HydrophobicContact CG1-CD2 4.13Å; V257-L303 HydrophobicContact CG2-CD2 4.42Å; A259-L303 HydrophobicContact CB-CD1 4.33Å; V292-L303 HydrophobicContact CG1-CD1 4.44Å; V292-L303 HydrophobicContact CG2-CD1 4.28Å; T299-L303 HydrophobicContact CG2-CD1 4.04Å; T299-L303 HydrophobicContact CG2-CG 4.43Å; T299-L303 WeakPolarHBondContact O-CB 3.48Å; T299-L303 VanDerWaalsContact O-CG 3.26Å; T299-L303 WeakPolarHBondContact O-CG 3.49Å; T299-L303 PolarHBondContact O-N 3.41Å; K300-L303 PolarHBondContact O-N 2.88Å; L303-N306 PolarHBondContact O-N 3.44Å; L303-C307 WeakPolarHBondContact O-CB 3.28Å; L303-C307 PolarHBondContact O-N 3.42Å; L303-C307 VanDerWaalsContact O-N 3.15Å
304L93Very high93.2Very high0 Ų024.4 Ų24.40%014%0.143CC..Hα-helixtrans-61-50.6177.3-75.1171.7000110.6M221 L223 K300 L301 N306 C307 L310 E325 A326 C329 V331M221-L304 HydrophobicContact SD-CD2 3.86Å; M221-L304 HydrophobicContact SD-CG 4.21Å; L223-L304 HydrophobicContact CD2-CD1 4.47Å; K300-L304 HydrophobicContact CG-CD1 4.08Å; K300-L304 WeakPolarHBondContact O-CB 3.49Å; K300-L304 WeakPolarHBondContact O-CG 3.42Å; K300-L304 PolarHBondContact O-N 2.98Å; L301-L304 PolarHBondContact O-N 3.28Å; L304-N306 PolarHBondContact O-N 2.99Å; L304-C307 PolarHBondContact O-N 3.5Å; L304-C307 PolarHBondContact O-SG 3.45Å; L304-L310 HydrophobicContact CD2-CD1 4.14Å; L304-E325 HydrophobicContact CD1-CB 4.4Å; L304-A326 HydrophobicContact CD2-CB 4.02Å; L304-C329 HydrophobicContact CB-CB 4.25Å; L304-V331 WeakPolarHBondContact O-CG2 3.38Å
305S90.4Very high93.2Very high56 Ų5624.1 Ų24.139%0.39214%0.139SC..Hα-helixtrans-64.6-14.2-174.3-540000114.6L301 A302L301-S305 VanDerWaalsContact O-CB 3.26Å; L301-S305 WeakPolarHBondContact O-CB 3.37Å; L301-S305 PolarHBondContact O-N 3.21Å; L301-S305 PolarHBondContact O-OG 3.02Å; A302-S305 PolarHBondContact O-N 3.14Å
306N91.3Very high93.1Very high86 Ų8628.9 Ų28.946%0.4616%0.159SC..Hα-helixtrans-116.9-0.8-178.9-71.5-82.9000113.7L207 A302 L303 L304L207-N306 HydrophobicContact CD1-CB 3.99Å; L207-N306 HydrophobicContact CD2-CB 3.6Å; L207-N306 HydrophobicContact CG-CB 4.23Å; A302-N306 PolarHBondContact O-N 3.43Å; A302-N306 PolarHBondContact O-ND2 2.99Å; L303-N306 PolarHBondContact O-N 3.44Å; L304-N306 PolarHBondContact O-N 2.99Å
307C95.3Very high93.1Very high2 Ų227.8 Ų27.81%0.01415%0.147CC..  trans-85141.9177.873.50000111.5I219 M221 L303 L304 V331 H375I219-C307 HydrophobicContact CG2-CB 4.29Å; I219-C307 CarbonylContact O-C 3.57Å; I219-C307 WeakPolarHBondContact O-CA 3.34Å; I219-C307 WeakPolarHBondContact O-CB 3.42Å; M221-C307 HydrophobicContact CB-CB 3.89Å; L303-C307 WeakPolarHBondContact O-CB 3.28Å; L303-C307 PolarHBondContact O-N 3.42Å; L303-C307 VanDerWaalsContact O-N 3.15Å; L304-C307 PolarHBondContact O-N 3.5Å; L304-C307 PolarHBondContact O-SG 3.45Å; C307-V331 WeakPolarHBondContact SG-CG1 3.2Å; C307-H375 PolarHBondContact O-CE1 3.46Å
308T97.5Very high93.2Very high16 Ų1625.2 Ų25.210%0.09814%0.135CC..SBendtrans-67.2-42.3177.7-51.90000111.7I218 I219 P332 F368 H375I218-T308 WeakPolarHBondContact CA-OG1 3.45Å; I218-T308 HydrophobicContact CG2-CG2 4.23Å; I219-T308 PolarHBondContact N-OG1 3.31Å; I219-T308 WeakPolarHBondContact O-CB 3.49Å; I219-T308 PolarHBondContact O-N 2.97Å; T308-P332 WeakPolarHBondContact O-CD 3.3Å; T308-P332 WeakPolarHBondContact O-CG 3.1Å; T308-F368 HydrophobicContact CG2-CB 3.87Å; T308-F368 HydrophobicContact CG2-CD1 4.35Å; T308-F368 HydrophobicContact CG2-CG 4.3Å; T308-H375 PolarHBondContact O-ND1 3.17Å
309A98.4Very high93.3Very high0 Ų024.3 Ų24.30%013%0.129CC..EExtended strand (participates in β ladder)trans-157.1147.7174.200000111.1F220 M221 P332 I334 F368F220-A309 HydrophobicContact CD1-CB 4.03Å; F220-A309 HydrophobicContact CE1-CB 4.04Å; M221-A309 PolarHBondContact N-O 3.32Å; M221-A309 VanDerWaalsContact N-O 3.13Å; A309-P332 WeakPolarHBondContact CA-O 3.37Å; A309-P332 HydrophobicContact CB-CG 4.21Å; A309-I334 HydrophobicContact CB-CD1 4.42Å; A309-I334 HydrophobicContact CB-CG1 4.39Å; A309-F368 HydrophobicContact CB-CD2 4.09Å; A309-F368 HydrophobicContact CB-CE2 3.89Å; A309-F368 HydrophobicContact CB-CZ 4.19Å
310L98.6Very high93Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-85.9130.9171.3-175.884.7000110.1M221 L223 L304 V322 A326 V331 P332 V333 I334M221-L310 HydrophobicContact CB-CD1 4.38Å; M221-L310 HydrophobicContact CG-CD1 4.33Å; M221-L310 CarbonylContact O-C 3.49Å; M221-L310 WeakPolarHBondContact O-CA 3.4Å; M221-L310 WeakPolarHBondContact O-CD1 3.33Å; L223-L310 HydrophobicContact CB-CD1 3.98Å; L304-L310 HydrophobicContact CD2-CD1 4.14Å; L310-V322 HydrophobicContact CD1-CG1 4.42Å; L310-V322 HydrophobicContact CD2-CG1 3.79Å; L310-A326 HydrophobicContact CB-CB 3.83Å; L310-A326 HydrophobicContact CD2-CB 3.69Å; L310-A326 HydrophobicContact CG-CB 4.21Å; L310-V331 HydrophobicContact CB-CG1 4.25Å; L310-P332 PolarHBondContact N-O 3.25Å; L310-V333 HydrophobicContact CB-CG1 4.47Å; L310-V333 HydrophobicContact CB-CG2 4.32Å; L310-V333 HydrophobicContact CD2-CG1 4.17Å; L310-V333 HydrophobicContact CD2-CG2 4.34Å; L310-V333 CarbonylContact O-C 3.59Å; L310-V333 WeakPolarHBondContact O-CA 3.33Å; L310-I334 PolarHBondContact O-N 2.71Å
311L98.6Very high92.9Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-95.1113.4170.5-50.3-175.8000109.8F220 M221 A235 L256 I334 F361 M365F220-L311 HydrophobicContact CB-CD1 4.11Å; F220-L311 HydrophobicContact CB-CG 4.27Å; F220-L311 HydrophobicContact CD1-CD2 4.05Å; M221-L311 PolarHBondContact O-N 3.35Å; A235-L311 HydrophobicContact CB-CD1 3.98Å; L256-L311 HydrophobicContact CD1-CD1 3.88Å; L311-I334 CarbonylContact C-O 3.6Å; L311-I334 WeakPolarHBondContact CA-O 3.12Å; L311-I334 HydrophobicContact CD2-CB 3.99Å; L311-I334 HydrophobicContact CD2-CD1 3.77Å; L311-I334 HydrophobicContact CD2-CG1 4.22Å; L311-F361 HydrophobicContact CD2-CD1 4.44Å; L311-M365 HydrophobicContact CD1-CE 3.92Å; L311-M365 HydrophobicContact CD1-SD 3.89Å; L311-M365 HydrophobicContact CD2-CG 3.8Å; L311-M365 HydrophobicContact CD2-SD 4.07Å
312Y97.8Very high93Very high7 Ų725.6 Ų25.63%0.02714%0.137CC..EExtended strand (participates in β ladder)trans-111.886.9179.1-160.6-105.8000111.3P314 E317 V322 P323 I334 A335 C336 P341Y312-P314 HydrophobicContact CD1-CG 4.44Å; Y312-P314 HydrophobicContact CE1-CB 4.21Å; Y312-P314 HydrophobicContact CE1-CG 4.02Å; Y312-P314 HydrophobicContact CE2-CG 4.07Å; Y312-E317 HydrophobicContact CE1-CB 4.33Å; Y312-E317 HydrophobicContact CE1-CG 4.36Å; Y312-E317 WeakPolarHBondContact OH-CG 3.44Å; Y312-V322 HydrophobicContact CD2-CB 4.3Å; Y312-V322 HydrophobicContact CE2-CB 3.88Å; Y312-V322 HydrophobicContact CE2-CG1 4.49Å; Y312-V322 HydrophobicContact CE2-CG2 4.39Å; Y312-P323 HydrophobicContact CD1-CG 3.77Å; Y312-P323 HydrophobicContact CD2-CG 3.95Å; Y312-P323 HydrophobicContact CE1-CG 4.06Å; Y312-P323 HydrophobicContact CE2-CG 4.25Å; Y312-P323 HydrophobicContact CG-CG 3.69Å; Y312-I334 PolarHBondContact N-O 3.28Å; Y312-A335 HydrophobicContact CD1-CB 4.32Å; Y312-A335 VanDerWaalsContact O-CA 3.28Å; Y312-A335 WeakPolarHBondContact O-CA 3.45Å; Y312-C336 PolarHBondContact O-N 3.17Å; Y312-C336 VanDerWaalsContact O-N 3.07Å; Y312-P341 HydrophobicContact CD1-CG 3.83Å; Y312-P341 HydrophobicContact CE1-CG 3.72Å
313T97.3Very high93.2Very high0 Ų025.5 Ų25.50%014%0.137CC..  trans-80.6-13.2-175.454.50000118.1K230 N231 V234 A235 V315 C336 F361K230-T313 CarbonylContact O-C 3.41Å; K230-T313 PolarHBondContact O-OG1 2.92Å; N231-T313 VanDerWaalsContact O-CB 3.31Å; N231-T313 WeakPolarHBondContact O-CB 3.44Å; N231-T313 PolarHBondContact O-OG1 3.11Å; V234-T313 HydrophobicContact CB-CG2 4.01Å; V234-T313 HydrophobicContact CG1-CG2 4.15Å; A235-T313 HydrophobicContact CB-CG2 4.05Å; T313-V315 PolarHBondContact O-N 2.84Å; T313-C336 VanDerWaalsContact C-SG 3.56Å; T313-C336 PolarHBondContact O-SG 2.81Å; T313-F361 HydrophobicContact CG2-CE1 3.99Å; T313-F361 HydrophobicContact CG2-CZ 4.08Å
314P95.2Very high93.2Very high0 Ų025.3 Ų25.30%014%0.136CC..  trans-58.7138.5178.3-26.935.6000113.1N224 K230 Y312 E317 C336N224-P314 WeakPolarHBondContact OD1-CG 3.5Å; K230-P314 HydrophobicContact CB-CG 4.24Å; K230-P314 HydrophobicContact CD-CB 4.2Å; K230-P314 HydrophobicContact CD-CG 3.72Å; Y312-P314 HydrophobicContact CD1-CG 4.44Å; Y312-P314 HydrophobicContact CE1-CB 4.21Å; Y312-P314 HydrophobicContact CE1-CG 4.02Å; Y312-P314 HydrophobicContact CE2-CG 4.07Å; P314-E317 HydrophobicContact CB-CB 4.13Å; P314-E317 WeakPolarHBondContact CB-OE2 3.5Å; P314-C336 WeakPolarHBondContact O-CB 3.41Å
315V92.5Very high93.2Very high60 Ų6026.4 Ų26.436%0.36414%0.141SC..SBendtrans-103143.4175.8-178.70000108.8T313 E317 C336 P356T313-V315 PolarHBondContact O-N 2.84Å; V315-E317 PolarHBondContact O-N 3.28Å; V315-E317 VanDerWaalsContact O-N 3.13Å; V315-C336 HydrophobicContact CG2-CB 4.44Å; V315-P356 HydrophobicContact CG2-CB 3.62Å; V315-P356 HydrophobicContact CG2-CG 4.39Å
316E87.7Confident93.5Very high125 Ų12523.8 Ų23.858%0.58412%0.122SC*.SBendtrans54.528.5-178.4-68.3-175.8156.500114.2F168 H318 S338F168-E316 WeakPolarHBondContact CE1-O 3.34Å; F168-E316 HydrophobicContact CZ-CB 3.93Å; F168-E316 HydrophobicContact CZ-CG 4.2Å; E316-H318 PolarHBondContact O-CD2 3.22Å; E316-S338 PolarHBondContact N-OG 3.3Å
317E88.9Confident93.6Very high38 Ų3819.7 Ų19.718%0.17810%0.1CC..  trans-66.3139.9176.5-167.174.6-140.700110.4K230 Y312 P314 V315 F319 G339 G340K230-E317 IonicContact NZ-OE1 2.9Å; K230-E317 PolarHBondContact NZ-OE1 2.86Å; K230-E317 IonicContact NZ-OE2 4Å; K230-E317 PolarHBondContact NZ-OE2 3.41Å; Y312-E317 HydrophobicContact CE1-CB 4.33Å; Y312-E317 HydrophobicContact CE1-CG 4.36Å; Y312-E317 WeakPolarHBondContact OH-CG 3.44Å; P314-E317 HydrophobicContact CB-CB 4.13Å; P314-E317 WeakPolarHBondContact CB-OE2 3.5Å; V315-E317 PolarHBondContact O-N 3.28Å; V315-E317 VanDerWaalsContact O-N 3.13Å; E317-F319 VanDerWaalsContact C-N 3.3Å; E317-F319 PolarHBondContact O-N 3.02Å; E317-G339 CarbonylContact O-C 3.6Å; E317-G339 WeakPolarHBondContact O-CA 3.29Å; E317-G340 PolarHBondContact O-N 2.94Å
318H88.6Confident93.5Very high41 Ų4119.6 Ų19.619%0.1910%0.1CC..SBendtrans-71.6-23.7-168.4-43151.4000113.8F128 S166 T169 E316F128-H318 VanDerWaalsContact CB-CE1 3.41Å; F128-H318 WeakPolarHBondContact CB-CE1 3.31Å; F128-H318 VanDerWaalsContact CB-ND1 3.26Å; F128-H318 WeakPolarHBondContact CB-ND1 3.43Å; F128-H318 AromaticContact CD1-CD2 3.94Å; F128-H318 AromaticContact CD1-CE1 3.27Å; F128-H318 WeakPolarHBondContact CD1-CE1 3.35Å; F128-H318 AromaticContact CD1-ND1 3.95Å; F128-H318 AromaticContact CD1-NE2 3.27Å; F128-H318 VanDerWaalsContact CD1-NE2 3.27Å; F128-H318 WeakPolarHBondContact CD1-NE2 3.03Å; F128-H318 HydrophobicContact CD2-CB 3.92Å; F128-H318 AromaticContact CD2-CD2 3.19Å; F128-H318 WeakPolarHBondContact CD2-CD2 3.42Å; F128-H318 AromaticContact CD2-CE1 3.66Å; F128-H318 AromaticContact CD2-CG 3.27Å; F128-H318 AromaticContact CD2-ND1 3.57Å; F128-H318 AromaticContact CD2-NE2 3.49Å; F128-H318 WeakPolarHBondContact CD2-NE2 3.18Å; F128-H318 AromaticContact CE1-CD2 3.91Å; F128-H318 AromaticContact CE1-CE1 3.82Å; F128-H318 AromaticContact CE1-NE2 3.3Å; F128-H318 VanDerWaalsContact CE1-NE2 3.3Å; F128-H318 WeakPolarHBondContact CE1-NE2 3.2Å; F128-H318 HydrophobicContact CE2-CB 4.48Å; F128-H318 AromaticContact CE2-CD2 3.21Å; F128-H318 WeakPolarHBondContact CE2-CD2 3.47Å; F128-H318 AromaticContact CE2-CG 3.78Å; F128-H318 AromaticContact CE2-NE2 3.56Å; F128-H318 AromaticContact CG-CD2 3.57Å; F128-H318 AromaticContact CG-CE1 3.15Å; F128-H318 WeakPolarHBondContact CG-CE1 3.47Å; F128-H318 AromaticContact CG-CG 3.58Å; F128-H318 AromaticContact CG-ND1 3.33Å; F128-H318 VanDerWaalsContact CG-ND1 3.33Å; F128-H318 WeakPolarHBondContact CG-ND1 3.42Å; F128-H318 AromaticContact CG-NE2 3.34Å; F128-H318 VanDerWaalsContact CG-NE2 3.34Å; F128-H318 WeakPolarHBondContact CG-NE2 3.47Å; F128-H318 AromaticContact CZ-CD2 3.57Å; F128-H318 AromaticContact CZ-NE2 3.45Å; F128-H318 WeakPolarHBondContact CZ-NE2 3.32Å; S166-H318 VanDerWaalsContact CB-O 3.24Å; S166-H318 WeakPolarHBondContact CB-O 3.23Å; S166-H318 PolarHBondContact OG-O 2.83Å; T169-H318 PolarHBondContact OG1-O 3.48Å; E316-H318 PolarHBondContact O-CD2 3.22Å
319F88.3Confident93.2Very high12 Ų1220 Ų205%0.05310%0.103CC..SBendtrans-149.6-62179.9-175.6-122.6000113.7N165 Y190 P191 E317 I321 L324 G340 T344 F390N165-F319 VanDerWaalsContact O-CD2 3.29Å; N165-F319 WeakPolarHBondContact O-CD2 3.44Å; Y190-F319 HydrophobicContact CD1-CD2 4.2Å; Y190-F319 AromaticContact CD1-CE2 3.43Å; Y190-F319 HydrophobicContact CD1-CE2 3.43Å; Y190-F319 VanDerWaalsContact CD1-CE2 3.43Å; Y190-F319 HydrophobicContact CD1-CZ 4.17Å; Y190-F319 HydrophobicContact CE1-CE2 4.16Å; Y190-F319 HydrophobicContact CG-CE2 4.17Å; Y190-F319 HydrophobicContact CG-CZ 4.5Å; P191-F319 HydrophobicContact CB-CD1 4.05Å; P191-F319 HydrophobicContact CB-CE1 3.72Å; P191-F319 HydrophobicContact CB-CZ 4.47Å; P191-F319 VanDerWaalsContact CD-CE1 3.5Å; P191-F319 HydrophobicContact CG-CD1 3.53Å; P191-F319 HydrophobicContact CG-CE1 3.59Å; P191-F319 HydrophobicContact CG-CG 4.1Å; P191-F319 HydrophobicContact CG-CZ 4.23Å; E317-F319 VanDerWaalsContact C-N 3.3Å; E317-F319 PolarHBondContact O-N 3.02Å; F319-I321 HydrophobicContact CE1-CD1 4.33Å; F319-L324 HydrophobicContact CE1-CD1 3.55Å; F319-L324 HydrophobicContact CZ-CD1 3.58Å; F319-G340 CarbonylContact O-C 3.08Å; F319-G340 WeakPolarHBondContact O-CA 3.24Å; F319-T344 HydrophobicContact CD2-CG2 4.05Å; F319-T344 HydrophobicContact CE1-CG2 4.39Å; F319-T344 HydrophobicContact CE2-CG2 3.59Å; F319-T344 HydrophobicContact CZ-CG2 3.81Å; F319-T344 WeakPolarHBondContact O-CG2 3.41Å; F319-F390 HydrophobicContact CE2-CD1 4.3Å; F319-F390 AromaticContact CE2-CE1 3.83Å; F319-F390 HydrophobicContact CE2-CE1 3.83Å; F319-F390 AromaticContact CZ-CD1 3.66Å; F319-F390 HydrophobicContact CZ-CD1 3.66Å; F319-F390 AromaticContact CZ-CE1 3.64Å; F319-F390 HydrophobicContact CZ-CE1 3.64Å
320G86.6Confident93Very high3 Ų324.1 Ų24.13%0.03112%0.121CC..  trans92.470.9-175.800000113.4P323G320-P323 WeakPolarHBondContact O-CD 3.42Å
321I89.6Confident92.9Very high64 Ų6424.2 Ų24.233%0.32812%0.121SC..Hα-helixtrans-68.9-33.6173.5-165.162.8000112.4I193 F319 L324 E325I193-I321 HydrophobicContact CD1-CD1 4.33Å; F319-I321 HydrophobicContact CE1-CD1 4.33Å; I321-L324 HydrophobicContact CD1-CD1 4.1Å; I321-L324 WeakPolarHBondContact O-CA 3.43Å; I321-L324 WeakPolarHBondContact O-CB 3.3Å; I321-L324 PolarHBondContact O-N 3.13Å; I321-E325 WeakPolarHBondContact O-CG 3.27Å; I321-E325 PolarHBondContact O-N 3.21Å
322V92.5Very high92.9Very high22 Ų2224.2 Ų24.213%0.13312%0.121CC..Hα-helixtrans-62.8-43.1-178.9-1780000112.1L223 L310 Y312 L324 E325 A326L223-V322 HydrophobicContact CB-CG1 3.87Å; L223-V322 HydrophobicContact CD2-CG1 4.02Å; L223-V322 HydrophobicContact CG-CG1 4.05Å; L310-V322 HydrophobicContact CD1-CG1 4.42Å; L310-V322 HydrophobicContact CD2-CG1 3.79Å; Y312-V322 HydrophobicContact CD2-CB 4.3Å; Y312-V322 HydrophobicContact CE2-CB 3.88Å; Y312-V322 HydrophobicContact CE2-CG1 4.49Å; Y312-V322 HydrophobicContact CE2-CG2 4.39Å; V322-L324 VanDerWaalsContact C-N 3.26Å; V322-L324 PolarHBondContact O-N 2.94Å; V322-E325 WeakPolarHBondContact O-CB 3.38Å; V322-E325 PolarHBondContact O-N 3.48Å; V322-E325 VanDerWaalsContact O-N 3.17Å; V322-A326 PolarHBondContact O-N 3.33Å
323P95.8Very high92.9Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-50.3-43.1166.6-32.834.5000114.3Y312 G320 A326 M327 V333 I345Y312-P323 HydrophobicContact CD1-CG 3.77Å; Y312-P323 HydrophobicContact CD2-CG 3.95Å; Y312-P323 HydrophobicContact CE1-CG 4.06Å; Y312-P323 HydrophobicContact CE2-CG 4.25Å; Y312-P323 HydrophobicContact CG-CG 3.69Å; G320-P323 WeakPolarHBondContact O-CD 3.42Å; P323-A326 PolarHBondContact O-N 3.09Å; P323-M327 WeakPolarHBondContact O-CB 3.49Å; P323-M327 WeakPolarHBondContact O-CG 3.14Å; P323-M327 PolarHBondContact O-N 2.94Å; P323-V333 HydrophobicContact CB-CG1 4.15Å; P323-V333 HydrophobicContact CB-CG2 4.23Å; P323-V333 HydrophobicContact CG-CG1 4.31Å; P323-I345 HydrophobicContact CB-CD1 4.12Å; P323-I345 HydrophobicContact CB-CG1 4.23Å; P323-I345 HydrophobicContact CG-CD1 4.39Å
324L94.5Very high93Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-68.4-38.2178.4-61.5178000112I193 F319 I321 V322 M327 C328 T344 T386 F390I193-L324 HydrophobicContact CD1-CB 4.17Å; F319-L324 HydrophobicContact CE1-CD1 3.55Å; F319-L324 HydrophobicContact CZ-CD1 3.58Å; I321-L324 HydrophobicContact CD1-CD1 4.1Å; I321-L324 WeakPolarHBondContact O-CA 3.43Å; I321-L324 WeakPolarHBondContact O-CB 3.3Å; I321-L324 PolarHBondContact O-N 3.13Å; V322-L324 VanDerWaalsContact C-N 3.26Å; V322-L324 PolarHBondContact O-N 2.94Å; L324-M327 HydrophobicContact CD2-CE 3.69Å; L324-M327 PolarHBondContact O-N 3.15Å; L324-C328 WeakPolarHBondContact O-CB 3.5Å; L324-C328 PolarHBondContact O-N 2.91Å; L324-T344 HydrophobicContact CD1-CG2 4.15Å; L324-T344 HydrophobicContact CD2-CG2 4.01Å; L324-T344 HydrophobicContact CG-CG2 4.01Å; L324-T386 HydrophobicContact CB-CG2 4.3Å; L324-T386 HydrophobicContact CD2-CG2 4.4Å; L324-F390 HydrophobicContact CD1-CB 3.88Å; L324-F390 HydrophobicContact CD1-CD1 3.73Å; L324-F390 HydrophobicContact CD1-CD2 4.3Å; L324-F390 HydrophobicContact CD1-CE1 4.32Å; L324-F390 HydrophobicContact CD1-CG 3.7Å; L324-F390 HydrophobicContact CD2-CB 4.37Å; L324-F390 HydrophobicContact CD2-CD1 4.3Å; L324-F390 HydrophobicContact CD2-CD2 3.52Å; L324-F390 HydrophobicContact CD2-CE1 4.5Å; L324-F390 HydrophobicContact CD2-CE2 3.73Å; L324-F390 HydrophobicContact CD2-CG 3.8Å; L324-F390 HydrophobicContact CD2-CZ 4.22Å; L324-F390 HydrophobicContact CG-CG 4.43Å
325E92.9Very high93.1Very high23 Ų2323.9 Ų23.911%0.10712%0.12CC..Hα-helixtrans-59.8-47.3173.6-64.6176.6154.900111.2I193 L197 K300 L304 I321 V322 C328 C329I193-E325 HydrophobicContact CD1-CB 4.3Å; I193-E325 HydrophobicContact CD1-CG 3.64Å; L197-E325 HydrophobicContact CD1-CG 3.93Å; K300-E325 WeakPolarHBondContact CE-OE2 3.44Å; K300-E325 IonicContact NZ-OE1 2.83Å; K300-E325 PolarHBondContact NZ-OE1 2.82Å; K300-E325 IonicContact NZ-OE2 3.97Å; K300-E325 PolarHBondContact NZ-OE2 3.32Å; L304-E325 HydrophobicContact CD1-CB 4.4Å; I321-E325 WeakPolarHBondContact O-CG 3.27Å; I321-E325 PolarHBondContact O-N 3.21Å; V322-E325 WeakPolarHBondContact O-CB 3.38Å; V322-E325 PolarHBondContact O-N 3.48Å; V322-E325 VanDerWaalsContact O-N 3.17Å; E325-C328 WeakPolarHBondContact O-CB 3.29Å; E325-C328 PolarHBondContact O-N 3.49Å; E325-C329 PolarHBondContact O-N 2.93Å; E325-C329 PolarHBondContact O-SG 3.47Å
326A95Very high93.2Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-61-51.4176.200000111.8L304 L310 V322 P323 C328 C329 K330 V331 V333L304-A326 HydrophobicContact CD2-CB 4.02Å; L310-A326 HydrophobicContact CB-CB 3.83Å; L310-A326 HydrophobicContact CD2-CB 3.69Å; L310-A326 HydrophobicContact CG-CB 4.21Å; V322-A326 PolarHBondContact O-N 3.33Å; P323-A326 PolarHBondContact O-N 3.09Å; A326-C328 VanDerWaalsContact C-N 3.26Å; A326-C328 PolarHBondContact O-N 3.18Å; A326-C329 CarbonylContact O-C 3.58Å; A326-C329 WeakPolarHBondContact O-CA 3.47Å; A326-C329 WeakPolarHBondContact O-CB 3.41Å; A326-C329 PolarHBondContact O-N 2.96Å; A326-K330 PolarHBondContact O-N 3.48Å; A326-V331 CarbonylContact C-O 3.58Å; A326-V331 HydrophobicContact CB-CB 4.01Å; A326-V331 HydrophobicContact CB-CG1 4.25Å; A326-V331 VanDerWaalsContact O-CB 3.3Å; A326-V331 WeakPolarHBondContact O-CB 3.4Å; A326-V331 PolarHBondContact O-N 3.26Å; A326-V333 HydrophobicContact CB-CG2 3.99Å
327M94.9Very high93.5Very high0 Ų018.3 Ų18.30%09%0.087CC..Hα-helixtrans-62.6-33178.8-73.3-172.6-60.500112.5P323 L324 C329 K330 V331 V333 T344 I345 T350 R383 T386P323-M327 WeakPolarHBondContact O-CB 3.49Å; P323-M327 WeakPolarHBondContact O-CG 3.14Å; P323-M327 PolarHBondContact O-N 2.94Å; L324-M327 HydrophobicContact CD2-CE 3.69Å; L324-M327 PolarHBondContact O-N 3.15Å; M327-C329 VanDerWaalsContact C-N 3.27Å; M327-C329 PolarHBondContact O-N 2.91Å; M327-K330 WeakPolarHBondContact O-CA 3.5Å; M327-K330 PolarHBondContact O-N 2.97Å; M327-V331 WeakPolarHBondContact CA-O 3.34Å; M327-V331 PolarHBondContact N-O 2.77Å; M327-V333 HydrophobicContact CG-CG2 3.77Å; M327-V333 HydrophobicContact SD-CG2 4.48Å; M327-T344 WeakPolarHBondContact CE-O 3.27Å; M327-I345 HydrophobicContact CE-CG1 4.41Å; M327-T350 HydrophobicContact SD-CG2 4.42Å; M327-T350 PolarHBondContact SD-OG1 3.42Å; M327-R383 WeakPolarHBondContact O-CA 3.5Å; M327-R383 WeakPolarHBondContact O-CB 3.35Å; M327-R383 PolarHBondContact O-N 3.01Å; M327-T386 WeakPolarHBondContact CB-OG1 3.39Å
328C92Very high93.6Very high1 Ų117.6 Ų17.61%0.0079%0.086CC..Hα-helixtrans-60.8-37.6172.7-172.60000112.1I193 L198 L324 E325 A326 K330 R383 T386I193-C328 HydrophobicContact CG1-CB 4.32Å; L198-C328 WeakPolarHBondContact CD2-SG 3.44Å; L324-C328 WeakPolarHBondContact O-CB 3.5Å; L324-C328 PolarHBondContact O-N 2.91Å; E325-C328 WeakPolarHBondContact O-CB 3.29Å; E325-C328 PolarHBondContact O-N 3.49Å; A326-C328 VanDerWaalsContact C-N 3.26Å; A326-C328 PolarHBondContact O-N 3.18Å; C328-K330 PolarHBondContact O-N 2.88Å; C328-R383 PolarHBondContact O-NH1 3.31Å; C328-T386 HydrophobicContact CB-CG2 4.25Å
329C91.9Very high93.6Very high23 Ų2315.8 Ų15.816%0.1558%0.079CC..THydrogen-bonded Turntrans-79.112.2172.3-64.80000113.9L304 E325 A326 M327 V331L304-C329 HydrophobicContact CB-CB 4.25Å; E325-C329 PolarHBondContact O-N 2.93Å; E325-C329 PolarHBondContact O-SG 3.47Å; A326-C329 CarbonylContact O-C 3.58Å; A326-C329 WeakPolarHBondContact O-CA 3.47Å; A326-C329 WeakPolarHBondContact O-CB 3.41Å; A326-C329 PolarHBondContact O-N 2.96Å; M327-C329 VanDerWaalsContact C-N 3.27Å; M327-C329 PolarHBondContact O-N 2.91Å; C329-V331 VanDerWaalsContact C-N 3.26Å; C329-V331 HydrophobicContact CB-CG2 4.14Å; C329-V331 PolarHBondContact O-N 2.92Å
330K94.1Very high93.6Very high88 Ų8815.2 Ų15.238%0.3838%0.076SC..THydrogen-bonded Turntrans60.730.6-174.8-53.1-174.1-179.8-160.60114.1A326 M327 C328 G379 E380 R383A326-K330 PolarHBondContact O-N 3.48Å; M327-K330 WeakPolarHBondContact O-CA 3.5Å; M327-K330 PolarHBondContact O-N 2.97Å; C328-K330 PolarHBondContact O-N 2.88Å; K330-G379 WeakPolarHBondContact CA-O 3.37Å; K330-G379 WeakPolarHBondContact O-CA 3.21Å; K330-E380 WeakPolarHBondContact CD-OE2 3.16Å; K330-E380 WeakPolarHBondContact CE-OE2 3.29Å; K330-E380 IonicContact NZ-OE2 3.14Å; K330-E380 PolarHBondContact NZ-OE2 2.98Å; K330-R383 HydrophobicContact CG-CB 4.07Å; K330-R383 HydrophobicContact CG-CG 4.44Å
331V96.5Very high93.9Very high1 Ų115 Ų151%0.0068%0.075CC..  trans-100.6124.7176.2-179.80000109.1L304 C307 L310 A326 M327 C329L304-V331 WeakPolarHBondContact O-CG2 3.38Å; C307-V331 WeakPolarHBondContact SG-CG1 3.2Å; L310-V331 HydrophobicContact CB-CG1 4.25Å; A326-V331 CarbonylContact C-O 3.58Å; A326-V331 HydrophobicContact CB-CB 4.01Å; A326-V331 HydrophobicContact CB-CG1 4.25Å; A326-V331 VanDerWaalsContact O-CB 3.3Å; A326-V331 WeakPolarHBondContact O-CB 3.4Å; A326-V331 PolarHBondContact O-N 3.26Å; M327-V331 WeakPolarHBondContact CA-O 3.34Å; M327-V331 PolarHBondContact N-O 2.77Å; C329-V331 VanDerWaalsContact C-N 3.26Å; C329-V331 HydrophobicContact CB-CG2 4.14Å; C329-V331 PolarHBondContact O-N 2.92Å
332P98.1Very high93.9Very high0 Ų014.6 Ų14.60%07%0.072CC..  trans-70.5153.3172.831.4-35.7000111.7T308 A309 L310 F368 H375 L378T308-P332 WeakPolarHBondContact O-CD 3.3Å; T308-P332 WeakPolarHBondContact O-CG 3.1Å; A309-P332 WeakPolarHBondContact CA-O 3.37Å; A309-P332 HydrophobicContact CB-CG 4.21Å; L310-P332 PolarHBondContact N-O 3.25Å; P332-F368 HydrophobicContact CB-CE1 4.05Å; P332-F368 HydrophobicContact CB-CZ 3.83Å; P332-F368 HydrophobicContact CG-CD1 4.45Å; P332-F368 HydrophobicContact CG-CE1 3.49Å; P332-F368 VanDerWaalsContact CG-CE1 3.49Å; P332-F368 HydrophobicContact CG-CZ 3.65Å; P332-H375 WeakPolarHBondContact CD-ND1 3.39Å; P332-L378 HydrophobicContact CB-CB 3.7Å; P332-L378 HydrophobicContact CB-CD1 4.48Å
333V98.5Very high93.7Very high0 Ų014.2 Ų14.20%07%0.069CC..EExtended strand (participates in β ladder)trans-117.9131.3-173.3-1740000111.2L310 P323 A326 M327 A335 I345 T350 G351 F352L310-V333 HydrophobicContact CB-CG1 4.47Å; L310-V333 HydrophobicContact CB-CG2 4.32Å; L310-V333 HydrophobicContact CD2-CG1 4.17Å; L310-V333 HydrophobicContact CD2-CG2 4.34Å; L310-V333 CarbonylContact O-C 3.59Å; L310-V333 WeakPolarHBondContact O-CA 3.33Å; P323-V333 HydrophobicContact CB-CG1 4.15Å; P323-V333 HydrophobicContact CB-CG2 4.23Å; P323-V333 HydrophobicContact CG-CG1 4.31Å; A326-V333 HydrophobicContact CB-CG2 3.99Å; M327-V333 HydrophobicContact CG-CG2 3.77Å; M327-V333 HydrophobicContact SD-CG2 4.48Å; V333-A335 HydrophobicContact CG1-CB 4.16Å; V333-I345 HydrophobicContact CB-CD1 3.86Å; V333-I345 HydrophobicContact CB-CG1 4.24Å; V333-I345 HydrophobicContact CG1-CD1 3.53Å; V333-I345 HydrophobicContact CG1-CG1 4.38Å; V333-T350 PolarHBondContact N-O 2.96Å; V333-G351 CarbonylContact O-C 3.57Å; V333-G351 WeakPolarHBondContact O-CA 3.37Å; V333-F352 PolarHBondContact O-N 2.9Å
334I98.6Very high93.6Very high0 Ų014.2 Ų14.20%07%0.069CC..EExtended strand (participates in β ladder)trans-101.1111.5165.9-51.6-179.8000106.7A309 L310 L311 Y312 F352 V354 F361 A364 M365 F368A309-I334 HydrophobicContact CB-CD1 4.42Å; A309-I334 HydrophobicContact CB-CG1 4.39Å; L310-I334 PolarHBondContact O-N 2.71Å; L311-I334 CarbonylContact C-O 3.6Å; L311-I334 WeakPolarHBondContact CA-O 3.12Å; L311-I334 HydrophobicContact CD2-CB 3.99Å; L311-I334 HydrophobicContact CD2-CD1 3.77Å; L311-I334 HydrophobicContact CD2-CG1 4.22Å; Y312-I334 PolarHBondContact N-O 3.28Å; I334-F352 CarbonylContact C-O 3.55Å; I334-F352 WeakPolarHBondContact CA-O 3.3Å; I334-F352 HydrophobicContact CG1-CD2 4.41Å; I334-V354 HydrophobicContact CG2-CG1 4.4Å; I334-V354 HydrophobicContact CG2-CG2 3.92Å; I334-F361 HydrophobicContact CB-CD1 4.47Å; I334-F361 HydrophobicContact CB-CE1 4.46Å; I334-F361 HydrophobicContact CG2-CD1 3.69Å; I334-F361 HydrophobicContact CG2-CE1 3.86Å; I334-F361 HydrophobicContact CG2-CG 4.41Å; I334-A364 HydrophobicContact CD1-CB 3.92Å; I334-A364 HydrophobicContact CG1-CB 4.37Å; I334-A364 HydrophobicContact CG2-CB 3.75Å; I334-M365 HydrophobicContact CD1-CB 4.37Å; I334-M365 HydrophobicContact CD1-CG 3.71Å; I334-F368 HydrophobicContact CD1-CD2 4.07Å; I334-F368 HydrophobicContact CD1-CE2 3.82Å; I334-F368 HydrophobicContact CG1-CE2 3.94Å
335A97.8Very high93.6Very high0 Ų014.3 Ų14.30%07%0.07CC..EExtended strand (participates in β ladder)trans-127.4155.6-176.600000113.1Y312 V333 R337 P341 I345 F352 L353 V354Y312-A335 HydrophobicContact CD1-CB 4.32Å; Y312-A335 VanDerWaalsContact O-CA 3.28Å; Y312-A335 WeakPolarHBondContact O-CA 3.45Å; V333-A335 HydrophobicContact CG1-CB 4.16Å; A335-R337 PolarHBondContact O-N 3.46Å; A335-P341 HydrophobicContact CB-CB 4.08Å; A335-I345 HydrophobicContact CB-CD1 3.23Å; A335-F352 PolarHBondContact N-O 3.32Å; A335-L353 HydrophobicContact CB-CD2 4.14Å; A335-L353 WeakPolarHBondContact O-CA 3.4Å; A335-V354 PolarHBondContact O-N 3.33Å
336C94.5Very high93.3Very high0 Ų014 Ų140%07%0.069CC..EExtended strand (participates in β ladder)trans-57.2135.5168.7-70.60000110.6Y312 T313 P314 V315 S338 V354Y312-C336 PolarHBondContact O-N 3.17Å; Y312-C336 VanDerWaalsContact O-N 3.07Å; T313-C336 VanDerWaalsContact C-SG 3.56Å; T313-C336 PolarHBondContact O-SG 2.81Å; P314-C336 WeakPolarHBondContact O-CB 3.41Å; V315-C336 HydrophobicContact CG2-CB 4.44Å; C336-S338 PolarHBondContact O-N 2.85Å; C336-V354 CarbonylContact C-O 3.46Å; C336-V354 WeakPolarHBondContact CA-O 2.94Å
337R93.3Very high93.2Very high69 Ų6915.6 Ų15.626%0.268%0.077SC..SBendtrans-73.159.8173.2-172176-70.6-97.2-4.2110.4A335 L342 D347 L353 V354 D462 C464A335-R337 PolarHBondContact O-N 3.46Å; R337-L342 HydrophobicContact CB-CD2 4.3Å; R337-L342 HydrophobicContact CG-CD2 3.7Å; R337-D347 IonicContact CZ-OD2 3.93Å; R337-D347 IonicContact NH2-OD1 3.89Å; R337-D347 IonicContact NH2-OD2 3.45Å; R337-D347 PolarHBondContact NH2-OD2 2.64Å; R337-L353 HydrophobicContact CB-CB 4.29Å; R337-L353 HydrophobicContact CG-CB 4.43Å; R337-L353 PolarHBondContact NE-O 3.4Å; R337-L353 PolarHBondContact NH2-O 3.26Å; R337-V354 WeakPolarHBondContact CB-O 3.13Å; R337-V354 PolarHBondContact N-O 2.9Å; R337-D462 IonicContact NH1-OD1 2.89Å; R337-D462 IonicContact NH1-OD2 2.66Å; R337-C464 PolarHBondContact NH1-SG 2.81Å
338S91.3Very high93Very high22 Ų2220 Ų2015%0.15410%0.101CC..SBendtrans-156.8146.1-174.4-176.50000111E316 C336 P341E316-S338 PolarHBondContact N-OG 3.3Å; C336-S338 PolarHBondContact O-N 2.85Å; S338-P341 VanDerWaalsContact O-CD 3.3Å; S338-P341 WeakPolarHBondContact O-CD 3.49Å
339G88.9Confident92.9Very high3 Ų323.3 Ų23.33%0.03112%0.116CC..SBendtrans68.7-154.1174.200000114.4E317 P341 L342E317-G339 CarbonylContact O-C 3.6Å; E317-G339 WeakPolarHBondContact O-CA 3.29Å; G339-P341 VanDerWaalsContact C-CD 3.43Å; G339-L342 WeakPolarHBondContact O-CB 3.4Å; G339-L342 WeakPolarHBondContact O-CG 3.41Å; G339-L342 PolarHBondContact O-N 3.1Å
340G87.2Confident92.9Very high0 Ų022.3 Ų22.30%011%0.109CC..THydrogen-bonded Turntrans-59.9-27.217700000116.5E317 F319 L342 E343 T344E317-G340 PolarHBondContact O-N 2.94Å; F319-G340 CarbonylContact O-C 3.08Å; F319-G340 WeakPolarHBondContact O-CA 3.24Å; G340-L342 PolarHBondContact O-N 3.24Å; G340-L342 VanDerWaalsContact O-N 3.12Å; G340-E343 WeakPolarHBondContact O-CA 3.47Å; G340-E343 WeakPolarHBondContact O-CB 3.47Å; G340-E343 PolarHBondContact O-N 2.86Å; G340-T344 PolarHBondContact O-N 2.99Å; G340-T344 VanDerWaalsContact O-N 3.17Å
341P93.5Very high93Very high0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-50.8-29.9168.9-34.337.5000115.3Y312 A335 S338 G339 E343 T344 I345 L353Y312-P341 HydrophobicContact CD1-CG 3.83Å; Y312-P341 HydrophobicContact CE1-CG 3.72Å; A335-P341 HydrophobicContact CB-CB 4.08Å; S338-P341 VanDerWaalsContact O-CD 3.3Å; S338-P341 WeakPolarHBondContact O-CD 3.49Å; G339-P341 VanDerWaalsContact C-CD 3.43Å; P341-E343 PolarHBondContact O-N 2.93Å; P341-T344 WeakPolarHBondContact CA-OG1 3.49Å; P341-T344 PolarHBondContact O-N 2.84Å; P341-T344 PolarHBondContact O-OG1 3.48Å; P341-I345 HydrophobicContact CB-CD1 4.36Å; P341-I345 WeakPolarHBondContact O-CB 3.4Å; P341-I345 PolarHBondContact O-N 2.72Å; P341-L353 HydrophobicContact CB-CD2 4.47Å
342L89.3Confident93.1Very high54 Ų5418.6 Ų18.628%0.2839%0.093SC..Hα-helixtrans-62.8-21.2174.2-61.5178.9000113.3R337 G339 G340 L353 Y468R337-L342 HydrophobicContact CB-CD2 4.3Å; R337-L342 HydrophobicContact CG-CD2 3.7Å; G339-L342 WeakPolarHBondContact O-CB 3.4Å; G339-L342 WeakPolarHBondContact O-CG 3.41Å; G339-L342 PolarHBondContact O-N 3.1Å; G340-L342 PolarHBondContact O-N 3.24Å; G340-L342 VanDerWaalsContact O-N 3.12Å; L342-L353 HydrophobicContact CD2-CD1 3.76Å; L342-L353 HydrophobicContact CD2-CD2 4.35Å; L342-Y468 WeakPolarHBondContact O-CE2 3.34Å
343E89.2Confident93Very high15 Ų1518.9 Ų18.97%0.0710%0.095CC..Hα-helixtrans-100.9-30.6-179.7-61.3179.2-123.500112S166 H167 F168 Y190 G340 P341S166-E343 VanDerWaalsContact CB-OE1 3.29Å; S166-E343 WeakPolarHBondContact CB-OE1 3.13Å; H167-E343 WeakPolarHBondContact CA-OE1 3.49Å; H167-E343 WeakPolarHBondContact CB-OE1 3.44Å; H167-E343 WeakPolarHBondContact CB-OE2 3.11Å; H167-E343 IonicContact CD2-OE2 2.72Å; H167-E343 PolarHBondContact CD2-OE2 2.7Å; H167-E343 VanDerWaalsContact CD2-OE2 3.25Å; H167-E343 IonicContact CG-OE2 3.92Å; H167-E343 PolarHBondContact N-OE1 3.33Å; H167-E343 PolarHBondContact N-OE2 2.84Å; F168-E343 PolarHBondContact N-OE1 2.98Å; Y190-E343 HydrophobicContact CE1-CB 4.37Å; Y190-E343 WeakPolarHBondContact CE1-OE2 3.49Å; Y190-E343 PolarHBondContact OH-OE2 3.06Å; G340-E343 WeakPolarHBondContact O-CA 3.47Å; G340-E343 WeakPolarHBondContact O-CB 3.47Å; G340-E343 PolarHBondContact O-N 2.86Å; P341-E343 PolarHBondContact O-N 2.93Å
344T93Very high92.9Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-81.5-33.3179.156.80000112.2F319 L324 M327 G340 P341 W385 F390F319-T344 HydrophobicContact CD2-CG2 4.05Å; F319-T344 HydrophobicContact CE1-CG2 4.39Å; F319-T344 HydrophobicContact CE2-CG2 3.59Å; F319-T344 HydrophobicContact CZ-CG2 3.81Å; F319-T344 WeakPolarHBondContact O-CG2 3.41Å; L324-T344 HydrophobicContact CD1-CG2 4.15Å; L324-T344 HydrophobicContact CD2-CG2 4.01Å; L324-T344 HydrophobicContact CG-CG2 4.01Å; M327-T344 WeakPolarHBondContact CE-O 3.27Å; G340-T344 PolarHBondContact O-N 2.99Å; G340-T344 VanDerWaalsContact O-N 3.17Å; P341-T344 WeakPolarHBondContact CA-OG1 3.49Å; P341-T344 PolarHBondContact O-N 2.84Å; P341-T344 PolarHBondContact O-OG1 3.48Å; T344-W385 VanDerWaalsContact O-CD1 3.24Å; T344-W385 PolarHBondContact O-NE1 3.3Å; T344-F390 HydrophobicContact CG2-CE1 4.27Å; T344-F390 HydrophobicContact CG2-CZ 4.22Å
345I94.2Very high92.8Very high1 Ų124.9 Ų24.91%0.00512%0.124CC..  trans-108.4133.5-175.7-59.4160.8000110.4P323 M327 V333 A335 P341 L353P323-I345 HydrophobicContact CB-CD1 4.12Å; P323-I345 HydrophobicContact CB-CG1 4.23Å; P323-I345 HydrophobicContact CG-CD1 4.39Å; M327-I345 HydrophobicContact CE-CG1 4.41Å; V333-I345 HydrophobicContact CB-CD1 3.86Å; V333-I345 HydrophobicContact CB-CG1 4.24Å; V333-I345 HydrophobicContact CG1-CD1 3.53Å; V333-I345 HydrophobicContact CG1-CG1 4.38Å; A335-I345 HydrophobicContact CB-CD1 3.23Å; P341-I345 HydrophobicContact CB-CD1 4.36Å; P341-I345 WeakPolarHBondContact O-CB 3.4Å; P341-I345 PolarHBondContact O-N 2.72Å; I345-L353 HydrophobicContact CB-CD2 4.12Å; I345-L353 HydrophobicContact CB-CG 4.43Å; I345-L353 HydrophobicContact CD1-CD2 4.24Å; I345-L353 HydrophobicContact CG2-CD2 4.28Å; I345-L353 HydrophobicContact CG2-CG 4.23Å
346L87.9Confident92.6Very high17 Ų1726.9 Ų26.99%0.08914%0.137CC..  trans-94.7112.4169.6-57.4177.6000108.7N348 E349 T350 W385L346-N348 PolarHBondContact O-N 3.48Å; L346-E349 HydrophobicContact CB-CB 3.75Å; L346-E349 HydrophobicContact CB-CG 4.47Å; L346-E349 PolarHBondContact O-N 3.4Å; L346-T350 HydrophobicContact CB-CG2 4Å; L346-T350 HydrophobicContact CD1-CG2 4.17Å; L346-T350 HydrophobicContact CG-CG2 4.23Å; L346-T350 PolarHBondContact N-OG1 2.72Å; L346-T350 PolarHBondContact O-N 3.34Å; L346-T350 PolarHBondContact O-OG1 2.96Å; L346-W385 HydrophobicContact CD1-CD2 3.73Å; L346-W385 HydrophobicContact CD1-CE3 3.81Å; L346-W385 HydrophobicContact CD1-CG 4.1Å; L346-W385 HydrophobicContact CD1-CH2 4.46Å; L346-W385 HydrophobicContact CD1-CZ2 4.43Å; L346-W385 HydrophobicContact CD1-CZ3 4.17Å; L346-W385 HydrophobicContact CD2-CH2 4.09Å; L346-W385 HydrophobicContact CD2-CZ2 3.83Å; L346-W385 HydrophobicContact CG-CD2 4.08Å; L346-W385 HydrophobicContact CG-CG 4.39Å; L346-W385 HydrophobicContact CG-CZ2 4.19Å
347D92.3Very high92.7Very high33 Ų3332.6 Ų32.618%0.17616%0.163CC..BIsolated β-bridgetrans-59.3132.4-176.8-166.331.4000112R337 E349 F352 L353R337-D347 IonicContact CZ-OD2 3.93Å; R337-D347 IonicContact NH2-OD1 3.89Å; R337-D347 IonicContact NH2-OD2 3.45Å; R337-D347 PolarHBondContact NH2-OD2 2.64Å; D347-E349 PolarHBondContact O-N 3.43Å; D347-E349 VanDerWaalsContact O-N 3.11Å; D347-F352 WeakPolarHBondContact OD1-CA 3.39Å; D347-L353 HydrophobicContact CB-CB 4.25Å; D347-L353 HydrophobicContact CB-CD1 4.13Å; D347-L353 HydrophobicContact CB-CG 4.29Å; D347-L353 PolarHBondContact OD1-N 2.99Å
348N90.2Very high92.9Very high92 Ų9230.5 Ų30.549%0.49216%0.159SC..THydrogen-bonded Turntrans60.65.4-173.6-53-78.6000115.7L346 G351 F352L346-N348 PolarHBondContact O-N 3.48Å; N348-G351 WeakPolarHBondContact CA-O 3.47Å; N348-G351 PolarHBondContact N-O 3.32Å; N348-F352 WeakPolarHBondContact OD1-CD1 3.45Å; N348-F352 VanDerWaalsContact OD1-CE1 3.26Å; N348-F352 WeakPolarHBondContact OD1-CE1 3.35Å
349E90.4Very high93.2Very high72 Ų7232.6 Ų32.634%0.33618%0.177SC..THydrogen-bonded Turntrans-115.3-45.6179-67.8-176.4-130.300112L346 D347 L378 A381 R441L346-E349 HydrophobicContact CB-CB 3.75Å; L346-E349 HydrophobicContact CB-CG 4.47Å; L346-E349 PolarHBondContact O-N 3.4Å; D347-E349 PolarHBondContact O-N 3.43Å; D347-E349 VanDerWaalsContact O-N 3.11Å; E349-L378 WeakPolarHBondContact O-CD2 3.42Å; E349-A381 WeakPolarHBondContact O-CB 3.46Å; E349-R441 IonicContact OE1-NH1 3.69Å; E349-R441 PolarHBondContact OE1-NH1 3.21Å
350T91.9Very high93.6Very high1 Ų133.8 Ų33.81%0.00619%0.187CC..THydrogen-bonded Turntrans-117.4-2.2178.170.90000112.8M327 V333 L346 A381 W385M327-T350 HydrophobicContact SD-CG2 4.42Å; M327-T350 PolarHBondContact SD-OG1 3.42Å; V333-T350 PolarHBondContact N-O 2.96Å; L346-T350 HydrophobicContact CB-CG2 4Å; L346-T350 HydrophobicContact CD1-CG2 4.17Å; L346-T350 HydrophobicContact CG-CG2 4.23Å; L346-T350 PolarHBondContact N-OG1 2.72Å; L346-T350 PolarHBondContact O-N 3.34Å; L346-T350 PolarHBondContact O-OG1 2.96Å; T350-A381 HydrophobicContact CG2-CB 4.36Å; T350-W385 HydrophobicContact CG2-CB 3.98Å; T350-W385 HydrophobicContact CG2-CG 4.25Å
351G96.8Very high94.2Very high0 Ų033.8 Ų33.80%019%0.187CC..EExtended strand (participates in β ladder)trans166.3-164.8-170.500000112V333 N348V333-G351 CarbonylContact O-C 3.57Å; V333-G351 WeakPolarHBondContact O-CA 3.37Å; N348-G351 WeakPolarHBondContact CA-O 3.47Å; N348-G351 PolarHBondContact N-O 3.32Å
352F97.9Very high94.4Very high11 Ų1134.3 Ų34.35%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-126.7129.1176.3-61.5-66.1000110.6V333 I334 A335 D347 N348 V354 A364 K367 F368 L378V333-F352 PolarHBondContact O-N 2.9Å; I334-F352 CarbonylContact C-O 3.55Å; I334-F352 WeakPolarHBondContact CA-O 3.3Å; I334-F352 HydrophobicContact CG1-CD2 4.41Å; A335-F352 PolarHBondContact N-O 3.32Å; D347-F352 WeakPolarHBondContact OD1-CA 3.39Å; N348-F352 WeakPolarHBondContact OD1-CD1 3.45Å; N348-F352 VanDerWaalsContact OD1-CE1 3.26Å; N348-F352 WeakPolarHBondContact OD1-CE1 3.35Å; F352-V354 HydrophobicContact CB-CG1 4.27Å; F352-A364 HydrophobicContact CB-CB 4.13Å; F352-A364 HydrophobicContact CD2-CB 4.16Å; F352-A364 HydrophobicContact CG-CB 4.33Å; F352-K367 HydrophobicContact CE1-CD 3.92Å; F352-K367 HydrophobicContact CE2-CB 4.37Å; F352-K367 HydrophobicContact CE2-CD 3.9Å; F352-K367 HydrophobicContact CZ-CB 4.49Å; F352-K367 HydrophobicContact CZ-CD 3.56Å; F352-F368 AromaticContact CD2-CE2 3.73Å; F352-F368 HydrophobicContact CD2-CE2 3.73Å; F352-F368 HydrophobicContact CD2-CZ 4.06Å; F352-F368 HydrophobicContact CE2-CD2 4.36Å; F352-F368 AromaticContact CE2-CE2 3.55Å; F352-F368 HydrophobicContact CE2-CE2 3.55Å; F352-F368 AromaticContact CE2-CZ 3.67Å; F352-F368 HydrophobicContact CE2-CZ 3.67Å; F352-L378 HydrophobicContact CE2-CD1 4.02Å; F352-L378 HydrophobicContact CZ-CD1 3.95Å
353L96.4Very high94.8Very high7 Ų735.2 Ų35.24%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-95.8115.9169.5-69.5174.4000108.9A335 R337 P341 L342 I345 D347A335-L353 HydrophobicContact CB-CD2 4.14Å; A335-L353 WeakPolarHBondContact O-CA 3.4Å; R337-L353 HydrophobicContact CB-CB 4.29Å; R337-L353 HydrophobicContact CG-CB 4.43Å; R337-L353 PolarHBondContact NE-O 3.4Å; R337-L353 PolarHBondContact NH2-O 3.26Å; P341-L353 HydrophobicContact CB-CD2 4.47Å; L342-L353 HydrophobicContact CD2-CD1 3.76Å; L342-L353 HydrophobicContact CD2-CD2 4.35Å; I345-L353 HydrophobicContact CB-CD2 4.12Å; I345-L353 HydrophobicContact CB-CG 4.43Å; I345-L353 HydrophobicContact CD1-CD2 4.24Å; I345-L353 HydrophobicContact CG2-CD2 4.28Å; I345-L353 HydrophobicContact CG2-CG 4.23Å; D347-L353 HydrophobicContact CB-CB 4.25Å; D347-L353 HydrophobicContact CB-CD1 4.13Å; D347-L353 HydrophobicContact CB-CG 4.29Å; D347-L353 PolarHBondContact OD1-N 2.99Å
354V96.9Very high95.3Very high20 Ų2034.6 Ų34.612%0.12120%0.2CC..EExtended strand (participates in β ladder)trans-125.1157.7-172.6-63.40000112I334 A335 C336 R337 F352 A360 F361 A364I334-V354 HydrophobicContact CG2-CG1 4.4Å; I334-V354 HydrophobicContact CG2-CG2 3.92Å; A335-V354 PolarHBondContact O-N 3.33Å; C336-V354 CarbonylContact C-O 3.46Å; C336-V354 WeakPolarHBondContact CA-O 2.94Å; R337-V354 WeakPolarHBondContact CB-O 3.13Å; R337-V354 PolarHBondContact N-O 2.9Å; F352-V354 HydrophobicContact CB-CG1 4.27Å; V354-A360 HydrophobicContact CB-CB 4.04Å; V354-F361 HydrophobicContact CG2-CD1 4.27Å; V354-F361 HydrophobicContact CG2-CD2 3.52Å; V354-F361 HydrophobicContact CG2-CE1 4.2Å; V354-F361 HydrophobicContact CG2-CE2 3.43Å; V354-F361 VanDerWaalsContact CG2-CE2 3.43Å; V354-F361 HydrophobicContact CG2-CG 3.95Å; V354-F361 HydrophobicContact CG2-CZ 3.8Å; V354-A364 HydrophobicContact CG1-CB 3.87Å
355E96Very high95.5Very high106 Ų10634.6 Ų34.650%0.49520%0.2SC..  trans-58.4149.9170.5-65.1-52.112800110.9E357 A360E355-E357 PolarHBondContact O-N 3.49Å; E355-A360 HydrophobicContact CB-CB 4.25Å
356P93.4Very high95.7Very high42 Ų4238 Ų3827%0.27321%0.213SC..SBendtrans-7336.4-177.233.6-38.2000113.5V315V315-P356 HydrophobicContact CG2-CB 3.62Å; V315-P356 HydrophobicContact CG2-CG 4.39Å
357E95.8Very high96.2Very high119 Ų11941.2 Ų41.256%0.55623%0.226SC*.SBendtrans-113.5137.7-175.9-68.1-60.415100110.7E355 A359 A360 F361E355-E357 PolarHBondContact O-N 3.49Å; E357-A359 PolarHBondContact O-N 3.34Å; E357-A359 VanDerWaalsContact O-N 3.15Å; E357-A360 PolarHBondContact O-N 3Å; E357-F361 PolarHBondContact O-N 3.26Å
358P98.2Very high96.4Very high25 Ų2539.7 Ų39.716%0.16222%0.218CC..Hα-helixtrans-53.4-38-179.5-29.736.3000114.7V234 Y237 A238 L241 A360 F361 A362V234-P358 HydrophobicContact CG1-CG 4.4Å; Y237-P358 HydrophobicContact CD2-CG 4.38Å; Y237-P358 HydrophobicContact CG-CG 4.32Å; A238-P358 VanDerWaalsContact CB-O 3.32Å; A238-P358 WeakPolarHBondContact CB-O 3.25Å; L241-P358 HydrophobicContact CD1-CB 3.9Å; P358-A360 VanDerWaalsContact C-N 3.34Å; P358-A360 PolarHBondContact O-N 3.23Å; P358-F361 PolarHBondContact O-N 3.37Å; P358-A362 WeakPolarHBondContact O-CB 3.37Å; P358-A362 PolarHBondContact O-N 2.85Å
359A98.1Very high96.7Very high66 Ų6635.9 Ų35.955%0.54520%0.198SC..Hα-helixtrans-65.7-36.5-18000000112.6L241 E357 A362 S363L241-A359 HydrophobicContact CD1-CB 4.38Å; E357-A359 PolarHBondContact O-N 3.34Å; E357-A359 VanDerWaalsContact O-N 3.15Å; A359-A362 PolarHBondContact O-N 3.34Å; A359-S363 WeakPolarHBondContact O-CB 3.46Å; A359-S363 PolarHBondContact O-N 3.17Å
360A98Very high97Very high29 Ų2937.5 Ų37.524%0.2421%0.209CC..Hα-helixtrans-70.4-42.6179.200000111V354 E355 E357 P358 S363 A364V354-A360 HydrophobicContact CB-CB 4.04Å; E355-A360 HydrophobicContact CB-CB 4.25Å; E357-A360 PolarHBondContact O-N 3Å; P358-A360 VanDerWaalsContact C-N 3.34Å; P358-A360 PolarHBondContact O-N 3.23Å; A360-S363 PolarHBondContact O-N 2.95Å; A360-A364 PolarHBondContact O-N 2.94Å
361F98.5Very high97.1Very high0 Ų040.6 Ų40.60%023%0.225CC..Hα-helixtrans-60.9-47.2171.3-87.1-97.1000111.8V234 A238 L311 T313 I334 V354 E357 P358 S363 A364 M365V234-F361 HydrophobicContact CG1-CD2 3.73Å; V234-F361 HydrophobicContact CG1-CE2 4.09Å; V234-F361 HydrophobicContact CG1-CG 4.16Å; A238-F361 HydrophobicContact CB-CB 3.49Å; A238-F361 VanDerWaalsContact CB-CB 3.49Å; L311-F361 HydrophobicContact CD2-CD1 4.44Å; T313-F361 HydrophobicContact CG2-CE1 3.99Å; T313-F361 HydrophobicContact CG2-CZ 4.08Å; I334-F361 HydrophobicContact CB-CD1 4.47Å; I334-F361 HydrophobicContact CB-CE1 4.46Å; I334-F361 HydrophobicContact CG2-CD1 3.69Å; I334-F361 HydrophobicContact CG2-CE1 3.86Å; I334-F361 HydrophobicContact CG2-CG 4.41Å; V354-F361 HydrophobicContact CG2-CD1 4.27Å; V354-F361 HydrophobicContact CG2-CD2 3.52Å; V354-F361 HydrophobicContact CG2-CE1 4.2Å; V354-F361 HydrophobicContact CG2-CE2 3.43Å; V354-F361 VanDerWaalsContact CG2-CE2 3.43Å; V354-F361 HydrophobicContact CG2-CG 3.95Å; V354-F361 HydrophobicContact CG2-CZ 3.8Å; E357-F361 PolarHBondContact O-N 3.26Å; P358-F361 PolarHBondContact O-N 3.37Å; F361-S363 VanDerWaalsContact C-N 3.3Å; F361-S363 PolarHBondContact O-N 3.32Å; F361-A364 PolarHBondContact O-N 3.43Å; F361-A364 VanDerWaalsContact O-N 3.16Å; F361-M365 WeakPolarHBondContact O-CG 3.48Å; F361-M365 PolarHBondContact O-N 2.98Å
362A98.6Very high96.8Very high10 Ų1046.4 Ų46.48%0.08325%0.252CS..Hα-helixtrans-59-42.1178.600000112A238 L241 P358 A359 M365 R366A238-A362 HydrophobicContact CB-CB 4.34Å; A238-A362 WeakPolarHBondContact O-CB 3.08Å; L241-A362 HydrophobicContact CB-CB 3.77Å; L241-A362 HydrophobicContact CD1-CB 4.47Å; P358-A362 WeakPolarHBondContact O-CB 3.37Å; P358-A362 PolarHBondContact O-N 2.85Å; A359-A362 PolarHBondContact O-N 3.34Å; A362-M365 PolarHBondContact O-N 3.37Å; A362-R366 WeakPolarHBondContact O-CB 3.38Å; A362-R366 PolarHBondContact O-N 2.92Å
363S98.3Very high96.6Very high73 Ų7349 Ų4951%0.5127%0.272SS..Hα-helixtrans-62.8-42.9175.9-177.90000112.2A359 A360 F361 R366 K367A359-S363 WeakPolarHBondContact O-CB 3.46Å; A359-S363 PolarHBondContact O-N 3.17Å; A360-S363 PolarHBondContact O-N 2.95Å; F361-S363 VanDerWaalsContact C-N 3.3Å; F361-S363 PolarHBondContact O-N 3.32Å; S363-R366 WeakPolarHBondContact O-CB 3.26Å; S363-R366 PolarHBondContact O-N 3Å; S363-K367 PolarHBondContact O-N 3.2Å
364A98.1Very high96.5Very high3 Ų350.1 Ų50.13%0.02528%0.278CS..Hα-helixtrans-67.7-38.6175.800000112.5I334 F352 V354 A360 F361 R366 K367 F368I334-A364 HydrophobicContact CD1-CB 3.92Å; I334-A364 HydrophobicContact CG1-CB 4.37Å; I334-A364 HydrophobicContact CG2-CB 3.75Å; F352-A364 HydrophobicContact CB-CB 4.13Å; F352-A364 HydrophobicContact CD2-CB 4.16Å; F352-A364 HydrophobicContact CG-CB 4.33Å; V354-A364 HydrophobicContact CG1-CB 3.87Å; A360-A364 PolarHBondContact O-N 2.94Å; F361-A364 PolarHBondContact O-N 3.43Å; F361-A364 VanDerWaalsContact O-N 3.16Å; A364-R366 VanDerWaalsContact C-N 3.31Å; A364-R366 PolarHBondContact O-N 2.98Å; A364-K367 WeakPolarHBondContact O-CB 3.47Å; A364-K367 PolarHBondContact O-N 3.01Å; A364-F368 WeakPolarHBondContact O-CD2 3.13Å
365M98.5Very high96.5Very high0 Ų051.3 Ų51.30%028%0.282CS..Hα-helixtrans-61.7-41.4174-67.6164.27300111F220 A238 F239 L242 L311 I334 F361 A362 K367 F368 V369F220-M365 HydrophobicContact CB-CE 4.14Å; F220-M365 HydrophobicContact CD1-CB 4.49Å; F220-M365 HydrophobicContact CD1-CE 4.13Å; F220-M365 HydrophobicContact CD1-CG 4.04Å; F220-M365 HydrophobicContact CD2-CE 3.57Å; F220-M365 HydrophobicContact CE1-CB 3.83Å; F220-M365 HydrophobicContact CE1-CE 4.47Å; F220-M365 HydrophobicContact CE1-CG 3.81Å; F220-M365 HydrophobicContact CE2-CB 4.19Å; F220-M365 HydrophobicContact CE2-CE 3.96Å; F220-M365 HydrophobicContact CG-CE 3.66Å; F220-M365 HydrophobicContact CZ-CB 3.66Å; F220-M365 HydrophobicContact CZ-CE 4.4Å; F220-M365 HydrophobicContact CZ-CG 4.11Å; F220-M365 WeakPolarHBondContact CZ-O 3.31Å; A238-M365 HydrophobicContact CB-SD 3.94Å; F239-M365 HydrophobicContact CB-CE 4.12Å; F239-M365 HydrophobicContact CD2-CE 3.78Å; F239-M365 HydrophobicContact CG-CE 4.46Å; L242-M365 HydrophobicContact CD2-CB 4.01Å; L242-M365 HydrophobicContact CD2-CE 3.87Å; L311-M365 HydrophobicContact CD1-CE 3.92Å; L311-M365 HydrophobicContact CD1-SD 3.89Å; L311-M365 HydrophobicContact CD2-CG 3.8Å; L311-M365 HydrophobicContact CD2-SD 4.07Å; I334-M365 HydrophobicContact CD1-CB 4.37Å; I334-M365 HydrophobicContact CD1-CG 3.71Å; F361-M365 WeakPolarHBondContact O-CG 3.48Å; F361-M365 PolarHBondContact O-N 2.98Å; A362-M365 PolarHBondContact O-N 3.37Å; M365-K367 PolarHBondContact O-N 3.04Å; M365-F368 PolarHBondContact O-N 3.4Å; M365-F368 VanDerWaalsContact O-N 3.07Å; M365-V369 PolarHBondContact O-N 3.49Å
366R98Very high96.4Very high73 Ų7351.8 Ų51.828%0.27529%0.288SS..Hα-helixtrans-58.1-36.2179.6-177.760.2-172.5-121.67.4112.6L242 S245 A362 S363 A364 F368 V369 D370L242-R366 HydrophobicContact CD1-CB 3.86Å; L242-R366 HydrophobicContact CD1-CG 4.47Å; S245-R366 PolarHBondContact O-NH1 3.35Å; S245-R366 PolarHBondContact OG-NH1 3.36Å; A362-R366 WeakPolarHBondContact O-CB 3.38Å; A362-R366 PolarHBondContact O-N 2.92Å; S363-R366 WeakPolarHBondContact O-CB 3.26Å; S363-R366 PolarHBondContact O-N 3Å; A364-R366 VanDerWaalsContact C-N 3.31Å; A364-R366 PolarHBondContact O-N 2.98Å; R366-F368 VanDerWaalsContact C-N 3.26Å; R366-F368 PolarHBondContact O-N 2.83Å; R366-V369 WeakPolarHBondContact O-CA 3.48Å; R366-V369 WeakPolarHBondContact O-CB 3.5Å; R366-V369 PolarHBondContact O-N 2.77Å; R366-D370 WeakPolarHBondContact CG-OD2 3.44Å; R366-D370 IonicContact CZ-OD1 2.75Å; R366-D370 IonicContact NE-OD1 2.61Å; R366-D370 PolarHBondContact NE-OD1 2.88Å; R366-D370 IonicContact NE-OD2 3.99Å; R366-D370 PolarHBondContact NE-OD2 2.9Å; R366-D370 IonicContact NH2-OD1 2.88Å; R366-D370 PolarHBondContact NH2-OD1 3.5Å; R366-D370 PolarHBondContact O-N 2.75Å
367K97.8Very high96.4Very high84 Ų8455.4 Ų55.437%0.36530%0.3SS..Hα-helixtrans-55.3-40.8175.7-62.6179.2-178179.50112.5F352 S363 A364 M365 V369 D370 D371 L374F352-K367 HydrophobicContact CE1-CD 3.92Å; F352-K367 HydrophobicContact CE2-CB 4.37Å; F352-K367 HydrophobicContact CE2-CD 3.9Å; F352-K367 HydrophobicContact CZ-CB 4.49Å; F352-K367 HydrophobicContact CZ-CD 3.56Å; S363-K367 PolarHBondContact O-N 3.2Å; A364-K367 WeakPolarHBondContact O-CB 3.47Å; A364-K367 PolarHBondContact O-N 3.01Å; M365-K367 PolarHBondContact O-N 3.04Å; K367-V369 VanDerWaalsContact C-N 3.34Å; K367-D370 PolarHBondContact O-N 3.14Å; K367-D371 PolarHBondContact O-N 3.49Å; K367-L374 HydrophobicContact CB-CD1 3.99Å
368F97.3Very high96.4Very high0 Ų050 Ų500%027%0.274CS..Hα-helixtrans-73.4-25.8177.6-68.4-75.7000113.4F220 T308 A309 P332 I334 F352 A364 M365 R366 L374 L378F220-F368 HydrophobicContact CE1-CB 4.43Å; F220-F368 HydrophobicContact CE1-CD2 4.35Å; F220-F368 HydrophobicContact CZ-CB 4.32Å; T308-F368 HydrophobicContact CG2-CB 3.87Å; T308-F368 HydrophobicContact CG2-CD1 4.35Å; T308-F368 HydrophobicContact CG2-CG 4.3Å; A309-F368 HydrophobicContact CB-CD2 4.09Å; A309-F368 HydrophobicContact CB-CE2 3.89Å; A309-F368 HydrophobicContact CB-CZ 4.19Å; P332-F368 HydrophobicContact CB-CE1 4.05Å; P332-F368 HydrophobicContact CB-CZ 3.83Å; P332-F368 HydrophobicContact CG-CD1 4.45Å; P332-F368 HydrophobicContact CG-CE1 3.49Å; P332-F368 VanDerWaalsContact CG-CE1 3.49Å; P332-F368 HydrophobicContact CG-CZ 3.65Å; I334-F368 HydrophobicContact CD1-CD2 4.07Å; I334-F368 HydrophobicContact CD1-CE2 3.82Å; I334-F368 HydrophobicContact CG1-CE2 3.94Å; F352-F368 AromaticContact CD2-CE2 3.73Å; F352-F368 HydrophobicContact CD2-CE2 3.73Å; F352-F368 HydrophobicContact CD2-CZ 4.06Å; F352-F368 HydrophobicContact CE2-CD2 4.36Å; F352-F368 AromaticContact CE2-CE2 3.55Å; F352-F368 HydrophobicContact CE2-CE2 3.55Å; F352-F368 AromaticContact CE2-CZ 3.67Å; F352-F368 HydrophobicContact CE2-CZ 3.67Å; A364-F368 WeakPolarHBondContact O-CD2 3.13Å; M365-F368 PolarHBondContact O-N 3.4Å; M365-F368 VanDerWaalsContact O-N 3.07Å; R366-F368 VanDerWaalsContact C-N 3.26Å; R366-F368 PolarHBondContact O-N 2.83Å; F368-L374 HydrophobicContact CD1-CB 3.84Å; F368-L374 HydrophobicContact CE1-CB 3.84Å; F368-L378 HydrophobicContact CE1-CD1 4.12Å; F368-L378 HydrophobicContact CZ-CD1 3.98Å
369V96.4Very high96.3Very high13 Ų1348.8 Ų48.88%0.07927%0.267CS..Hα-helixtrans-72.3-42.9172.9-178.40000110.5I218 F220 L242 L246 L250 V254 M365 R366 K367I218-V369 HydrophobicContact CD1-CB 4.28Å; I218-V369 HydrophobicContact CD1-CG1 3.92Å; I218-V369 HydrophobicContact CD1-CG2 4.15Å; I218-V369 HydrophobicContact CG2-CG2 4.29Å; F220-V369 HydrophobicContact CE2-CG2 4.42Å; F220-V369 HydrophobicContact CZ-CG2 4.42Å; L242-V369 HydrophobicContact CD1-CG2 4.16Å; L242-V369 HydrophobicContact CD2-CG2 4.15Å; L246-V369 HydrophobicContact CD2-CG1 3.68Å; L250-V369 HydrophobicContact CD1-CG1 4.49Å; V254-V369 HydrophobicContact CG1-CG2 4.38Å; M365-V369 PolarHBondContact O-N 3.49Å; R366-V369 WeakPolarHBondContact O-CA 3.48Å; R366-V369 WeakPolarHBondContact O-CB 3.5Å; R366-V369 PolarHBondContact O-N 2.77Å; K367-V369 VanDerWaalsContact C-N 3.34Å
370D95.5Very high96Very high105 Ų10549.1 Ų49.156%0.56126%0.257SS*.Hα-helixtrans-74.6-33.9-178-64-26.5000112.4R366 K367R366-D370 WeakPolarHBondContact CG-OD2 3.44Å; R366-D370 IonicContact CZ-OD1 2.75Å; R366-D370 IonicContact NE-OD1 2.61Å; R366-D370 PolarHBondContact NE-OD1 2.88Å; R366-D370 IonicContact NE-OD2 3.99Å; R366-D370 PolarHBondContact NE-OD2 2.9Å; R366-D370 IonicContact NH2-OD1 2.88Å; R366-D370 PolarHBondContact NH2-OD1 3.5Å; R366-D370 PolarHBondContact O-N 2.75Å; K367-D370 PolarHBondContact O-N 3.14Å
371D95.5Very high95.4Very high67 Ų6749.4 Ų49.436%0.35826%0.259SS..  trans-135.497.3177.9-177.94.9000111.4K367 S373 L374K367-D371 PolarHBondContact O-N 3.49Å; D371-S373 VanDerWaalsContact CG-OG 3.31Å; D371-S373 PolarHBondContact O-N 2.93Å; D371-S373 VanDerWaalsContact OD1-CB 3.27Å; D371-S373 WeakPolarHBondContact OD1-CB 3.41Å; D371-S373 PolarHBondContact OD1-N 3.32Å; D371-S373 PolarHBondContact OD1-OG 2.7Å; D371-S373 PolarHBondContact OD2-OG 3.44Å; D371-L374 HydrophobicContact CB-CD1 4.05Å; D371-L374 HydrophobicContact CB-CG 4.03Å; D371-L374 WeakPolarHBondContact O-CB 3.5Å; D371-L374 PolarHBondContact O-N 2.82Å
372Q89.9Confident95.1Very high121 Ų12149.4 Ų49.457%0.56526%0.259SS*.THydrogen-bonded Turntrans-68-20.9178.6-66.1-178.413.100112.9L374 H375Q372-L374 PolarHBondContact O-N 2.92Å; Q372-H375 WeakPolarHBondContact O-CB 3.33Å; Q372-H375 PolarHBondContact O-N 3.35Å; Q372-H375 VanDerWaalsContact O-N 3.12Å
373S93.6Very high94.8Very high67 Ų6752.6 Ų52.647%0.46927%0.269SS..Hα-helixtrans-66.8-19.2177.7790000112.7D371 H375 D376 K377D371-S373 VanDerWaalsContact CG-OG 3.31Å; D371-S373 PolarHBondContact O-N 2.93Å; D371-S373 VanDerWaalsContact OD1-CB 3.27Å; D371-S373 WeakPolarHBondContact OD1-CB 3.41Å; D371-S373 PolarHBondContact OD1-N 3.32Å; D371-S373 PolarHBondContact OD1-OG 2.7Å; D371-S373 PolarHBondContact OD2-OG 3.44Å; S373-H375 PolarHBondContact O-N 2.89Å; S373-D376 PolarHBondContact O-N 3.47Å; S373-K377 WeakPolarHBondContact O-CB 3.48Å; S373-K377 PolarHBondContact O-N 2.8Å; S373-K377 VanDerWaalsContact O-N 3.15Å
374L95Very high94.2Very high30 Ų3054 Ų5416%0.15727%0.271CS..Hα-helixtrans-61-31.4173.1-69.4177000112.4K367 F368 D371 Q372 L378K367-L374 HydrophobicContact CB-CD1 3.99Å; F368-L374 HydrophobicContact CD1-CB 3.84Å; F368-L374 HydrophobicContact CE1-CB 3.84Å; D371-L374 HydrophobicContact CB-CD1 4.05Å; D371-L374 HydrophobicContact CB-CG 4.03Å; D371-L374 WeakPolarHBondContact O-CB 3.5Å; D371-L374 PolarHBondContact O-N 2.82Å; Q372-L374 PolarHBondContact O-N 2.92Å; L374-L378 HydrophobicContact CB-CD1 4.47Å; L374-L378 VanDerWaalsContact O-CB 3.28Å; L374-L378 WeakPolarHBondContact O-CB 3.46Å; L374-L378 WeakPolarHBondContact O-CG 3.31Å; L374-L378 PolarHBondContact O-N 2.9Å
375H96Very high93.8Very high44 Ų4455.4 Ų55.420%0.20428%0.275CS..Hα-helixtrans-57.9-57177.6174.375000110.7C307 T308 P332 Q372 S373 K377 G379C307-H375 PolarHBondContact O-CE1 3.46Å; T308-H375 PolarHBondContact O-ND1 3.17Å; P332-H375 WeakPolarHBondContact CD-ND1 3.39Å; Q372-H375 WeakPolarHBondContact O-CB 3.33Å; Q372-H375 PolarHBondContact O-N 3.35Å; Q372-H375 VanDerWaalsContact O-N 3.12Å; S373-H375 PolarHBondContact O-N 2.89Å; H375-K377 PolarHBondContact O-N 3.36Å; H375-G379 WeakPolarHBondContact O-CA 3.28Å; H375-G379 PolarHBondContact O-N 3Å
376D93.4Very high93.4Very high117 Ų11755.4 Ų55.463%0.62628%0.275SS*.Hα-helixtrans-64.3-44.3-177.5-66.4-34.5000111.6S373 E380S373-D376 PolarHBondContact O-N 3.47Å; D376-E380 WeakPolarHBondContact O-CB 3.38Å; D376-E380 PolarHBondContact O-N 3.03Å
377K94.3Very high92.9Very high118 Ų11854.7 Ų54.751%0.51328%0.277SS..Hα-helixtrans-63-53.7-177.4-179.4-176.5174.9-172.80112.2S373 H375 A381S373-K377 WeakPolarHBondContact O-CB 3.48Å; S373-K377 PolarHBondContact O-N 2.8Å; S373-K377 VanDerWaalsContact O-N 3.15Å; H375-K377 PolarHBondContact O-N 3.36Å; K377-A381 PolarHBondContact O-N 3.4Å
378L96.2Very high92.3Very high5 Ų554.4 Ų54.43%0.02628%0.276CS..Hα-helixtrans-74.5-32-177.6-59.9-177.9000110.9P332 E349 F352 F368 L374 G382P332-L378 HydrophobicContact CB-CB 3.7Å; P332-L378 HydrophobicContact CB-CD1 4.48Å; E349-L378 WeakPolarHBondContact O-CD2 3.42Å; F352-L378 HydrophobicContact CE2-CD1 4.02Å; F352-L378 HydrophobicContact CZ-CD1 3.95Å; F368-L378 HydrophobicContact CE1-CD1 4.12Å; F368-L378 HydrophobicContact CZ-CD1 3.98Å; L374-L378 HydrophobicContact CB-CD1 4.47Å; L374-L378 VanDerWaalsContact O-CB 3.28Å; L374-L378 WeakPolarHBondContact O-CB 3.46Å; L374-L378 WeakPolarHBondContact O-CG 3.31Å; L374-L378 PolarHBondContact O-N 2.9Å; L378-G382 PolarHBondContact O-N 3.25Å
379G94.8Very high91.6Very high0 Ų056.9 Ų56.90%029%0.287CS..Hα-helixtrans-62.2-48.6174.700000113.4K330 H375 G382 R383K330-G379 WeakPolarHBondContact CA-O 3.37Å; K330-G379 WeakPolarHBondContact O-CA 3.21Å; H375-G379 WeakPolarHBondContact O-CA 3.28Å; H375-G379 PolarHBondContact O-N 3Å; G379-G382 PolarHBondContact O-N 2.94Å; G379-R383 PolarHBondContact O-N 3.34Å
380E92.1Very high91.3Very high72 Ų7256.3 Ų56.334%0.33628%0.284SS..Hα-helixtrans-64.2-44.7177.4-171.762.1-149.600111.4K330 D376 G382 R383 L384K330-E380 WeakPolarHBondContact CD-OE2 3.16Å; K330-E380 WeakPolarHBondContact CE-OE2 3.29Å; K330-E380 IonicContact NZ-OE2 3.14Å; K330-E380 PolarHBondContact NZ-OE2 2.98Å; D376-E380 WeakPolarHBondContact O-CB 3.38Å; D376-E380 PolarHBondContact O-N 3.03Å; E380-G382 VanDerWaalsContact C-N 3.29Å; E380-G382 PolarHBondContact O-N 3.26Å; E380-R383 PolarHBondContact O-N 3.42Å; E380-L384 HydrophobicContact CG-CD1 4.46Å; E380-L384 WeakPolarHBondContact O-CG 3.33Å; E380-L384 PolarHBondContact O-N 2.94Å
381A86.2Confident90.9Very high35 Ų3552.1 Ų52.129%0.28926%0.263SS..Hα-helixtrans-58.7-42.4174.300000111.5E349 T350 K377 L384 W385E349-A381 WeakPolarHBondContact O-CB 3.46Å; T350-A381 HydrophobicContact CG2-CB 4.36Å; K377-A381 PolarHBondContact O-N 3.4Å; A381-L384 PolarHBondContact O-N 2.63Å; A381-W385 VanDerWaalsContact O-CB 3.32Å; A381-W385 WeakPolarHBondContact O-CB 3.27Å; A381-W385 PolarHBondContact O-N 3.48Å
382G92Very high90.6Very high0 Ų049.6 Ų49.60%025%0.25CS..Hα-helixtrans-59.6-45.6175.300000112.9L378 G379 E380 W385 T386L378-G382 PolarHBondContact O-N 3.25Å; G379-G382 PolarHBondContact O-N 2.94Å; E380-G382 VanDerWaalsContact C-N 3.29Å; E380-G382 PolarHBondContact O-N 3.26Å; G382-W385 PolarHBondContact O-N 3.04Å; G382-T386 WeakPolarHBondContact O-CB 3.46Å; G382-T386 PolarHBondContact O-N 2.96Å; G382-T386 PolarHBondContact O-OG1 3.48Å
383R91.9Very high90.3Very high77 Ų7749.9 Ų49.929%0.29126%0.256SS..Hα-helixtrans-62.8-46.6177.5-177.1-179.9172.5108.6-5.6111.7M327 C328 K330 G379 E380 T386 L387M327-R383 WeakPolarHBondContact O-CA 3.5Å; M327-R383 WeakPolarHBondContact O-CB 3.35Å; M327-R383 PolarHBondContact O-N 3.01Å; C328-R383 PolarHBondContact O-NH1 3.31Å; K330-R383 HydrophobicContact CG-CB 4.07Å; K330-R383 HydrophobicContact CG-CG 4.44Å; G379-R383 PolarHBondContact O-N 3.34Å; E380-R383 PolarHBondContact O-N 3.42Å; R383-T386 PolarHBondContact O-N 3.49Å; R383-L387 HydrophobicContact CG-CD1 4.04Å; R383-L387 HydrophobicContact CG-CG 4.49Å; R383-L387 WeakPolarHBondContact O-CB 3.26Å; R383-L387 WeakPolarHBondContact O-CG 3.26Å; R383-L387 PolarHBondContact O-N 3.08Å
384L86.4Confident89.8Confident104 Ų10448.9 Ų48.955%0.54524%0.244SC..Hα-helixtrans-60.1-46.9178.2-71.7173.6000111E380 A381 L387 Q388E380-L384 HydrophobicContact CG-CD1 4.46Å; E380-L384 WeakPolarHBondContact O-CG 3.33Å; E380-L384 PolarHBondContact O-N 2.94Å; A381-L384 PolarHBondContact O-N 2.63Å; L384-L387 PolarHBondContact O-N 3.49Å; L384-Q388 WeakPolarHBondContact O-CB 3.33Å; L384-Q388 PolarHBondContact O-N 2.61Å
385W89.1Confident89.6Confident31 Ų3147.6 Ų47.612%0.11724%0.237CC..Hα-helixtrans-58.7-47.8175.8174.8-117.7000112.2T344 L346 T350 A381 G382 L387 Q388 K389 F390T344-W385 VanDerWaalsContact O-CD1 3.24Å; T344-W385 PolarHBondContact O-NE1 3.3Å; L346-W385 HydrophobicContact CD1-CD2 3.73Å; L346-W385 HydrophobicContact CD1-CE3 3.81Å; L346-W385 HydrophobicContact CD1-CG 4.1Å; L346-W385 HydrophobicContact CD1-CH2 4.46Å; L346-W385 HydrophobicContact CD1-CZ2 4.43Å; L346-W385 HydrophobicContact CD1-CZ3 4.17Å; L346-W385 HydrophobicContact CD2-CH2 4.09Å; L346-W385 HydrophobicContact CD2-CZ2 3.83Å; L346-W385 HydrophobicContact CG-CD2 4.08Å; L346-W385 HydrophobicContact CG-CG 4.39Å; L346-W385 HydrophobicContact CG-CZ2 4.19Å; T350-W385 HydrophobicContact CG2-CB 3.98Å; T350-W385 HydrophobicContact CG2-CG 4.25Å; A381-W385 VanDerWaalsContact O-CB 3.32Å; A381-W385 WeakPolarHBondContact O-CB 3.27Å; A381-W385 PolarHBondContact O-N 3.48Å; G382-W385 PolarHBondContact O-N 3.04Å; W385-L387 PolarHBondContact O-N 3.33Å; W385-Q388 PolarHBondContact O-N 3.31Å; W385-K389 HydrophobicContact CD2-CG 4.25Å; W385-K389 HydrophobicContact CE3-CG 3.82Å; W385-K389 HydrophobicContact CH2-CD 4.23Å; W385-K389 HydrophobicContact CH2-CG 3.64Å; W385-K389 HydrophobicContact CZ2-CG 4.03Å; W385-K389 HydrophobicContact CZ3-CD 4.3Å; W385-K389 HydrophobicContact CZ3-CG 3.52Å; W385-K389 PolarHBondContact O-N 3.28Å; W385-F390 AromaticContact CE2-CE2 3.89Å; W385-F390 HydrophobicContact CZ2-CE2 4.28Å; W385-F390 AromaticContact NE1-CE2 3.54Å
386T90.9Very high89.3Confident0 Ų046.4 Ų46.40%023%0.233CC..Hα-helixtrans-57.5-50.9178-65.80000111.8I193 L324 M327 C328 G382 R383 Q388 F390I193-T386 HydrophobicContact CB-CG2 4.41Å; I193-T386 HydrophobicContact CG2-CG2 4.3Å; L324-T386 HydrophobicContact CB-CG2 4.3Å; L324-T386 HydrophobicContact CD2-CG2 4.4Å; M327-T386 WeakPolarHBondContact CB-OG1 3.39Å; C328-T386 HydrophobicContact CB-CG2 4.25Å; G382-T386 WeakPolarHBondContact O-CB 3.46Å; G382-T386 PolarHBondContact O-N 2.96Å; G382-T386 PolarHBondContact O-OG1 3.48Å; R383-T386 PolarHBondContact O-N 3.49Å; T386-Q388 VanDerWaalsContact C-N 3.31Å; T386-Q388 PolarHBondContact O-N 2.82Å; T386-F390 CarbonylContact O-C 3.54Å; T386-F390 WeakPolarHBondContact O-CA 3.34Å; T386-F390 WeakPolarHBondContact O-CB 3.42Å; T386-F390 PolarHBondContact O-N 3.12Å
387L85.9Confident88.8Confident59 Ų5942.1 Ų42.131%0.30921%0.214SC..Hα-helixtrans-63.6-37.1178.7-72.9175.6000112.7L198 R383 L384 W385 S391L198-L387 HydrophobicContact CD1-CD2 4.06Å; L198-L387 HydrophobicContact CD2-CD2 3.45Å; L198-L387 VanDerWaalsContact CD2-CD2 3.45Å; L198-L387 HydrophobicContact CD2-CG 4.48Å; L198-L387 HydrophobicContact CG-CD2 4.43Å; R383-L387 HydrophobicContact CG-CD1 4.04Å; R383-L387 HydrophobicContact CG-CG 4.49Å; R383-L387 WeakPolarHBondContact O-CB 3.26Å; R383-L387 WeakPolarHBondContact O-CG 3.26Å; R383-L387 PolarHBondContact O-N 3.08Å; L384-L387 PolarHBondContact O-N 3.49Å; W385-L387 PolarHBondContact O-N 3.33Å; L387-S391 WeakPolarHBondContact O-CB 3.36Å; L387-S391 PolarHBondContact O-OG 3.43Å
388Q85.2Confident88.3Confident77 Ų7737.1 Ų37.136%0.3620%0.195SC..Hα-helixtrans-70.5-40.8-177-169.4-173.627.900112.2L384 W385 T386 Q394 N689L384-Q388 WeakPolarHBondContact O-CB 3.33Å; L384-Q388 PolarHBondContact O-N 2.61Å; W385-Q388 PolarHBondContact O-N 3.31Å; T386-Q388 VanDerWaalsContact C-N 3.31Å; T386-Q388 PolarHBondContact O-N 2.82Å; Q388-Q394 WeakPolarHBondContact O-CG 3.14Å; Q388-Q394 PolarHBondContact O-NE2 3.29Å; Q388-N689 WeakPolarHBondContact CG-ND2 3.49Å; Q388-N689 PolarHBondContact NE2-ND2 2.83Å; Q388-N689 VanDerWaalsContact NE2-ND2 3.13Å
389K82.4Confident88Confident52 Ų5236.9 Ų36.923%0.22619%0.194CC..Hα-helixtrans-107.5-30.9-170.6-79-71.3-171.7175.90115W385W385-K389 HydrophobicContact CD2-CG 4.25Å; W385-K389 HydrophobicContact CE3-CG 3.82Å; W385-K389 HydrophobicContact CH2-CD 4.23Å; W385-K389 HydrophobicContact CH2-CG 3.64Å; W385-K389 HydrophobicContact CZ2-CG 4.03Å; W385-K389 HydrophobicContact CZ3-CD 4.3Å; W385-K389 HydrophobicContact CZ3-CG 3.52Å; W385-K389 PolarHBondContact O-N 3.28Å
390F91.6Very high87.7Confident2 Ų238 Ų381%0.00920%0.203CC..SBendtrans-120.123.4-168-52.2-82.9000112.5Y190 C192 I193 F319 L324 T344 W385 T386Y190-F390 AromaticContact CD1-CE1 3.98Å; Y190-F390 HydrophobicContact CD1-CE1 3.98Å; Y190-F390 HydrophobicContact CD2-CD1 4.42Å; Y190-F390 AromaticContact CD2-CE1 3.96Å; Y190-F390 HydrophobicContact CD2-CE1 3.96Å; Y190-F390 HydrophobicContact CG-CD1 4.03Å; Y190-F390 AromaticContact CG-CE1 3.65Å; Y190-F390 HydrophobicContact CG-CE1 3.65Å; C192-F390 CarbonylContact C-O 3.6Å; C192-F390 WeakPolarHBondContact CA-O 3.39Å; C192-F390 WeakPolarHBondContact CB-O 3.42Å; I193-F390 PolarHBondContact N-O 2.97Å; F319-F390 HydrophobicContact CE2-CD1 4.3Å; F319-F390 AromaticContact CE2-CE1 3.83Å; F319-F390 HydrophobicContact CE2-CE1 3.83Å; F319-F390 AromaticContact CZ-CD1 3.66Å; F319-F390 HydrophobicContact CZ-CD1 3.66Å; F319-F390 AromaticContact CZ-CE1 3.64Å; F319-F390 HydrophobicContact CZ-CE1 3.64Å; L324-F390 HydrophobicContact CD1-CB 3.88Å; L324-F390 HydrophobicContact CD1-CD1 3.73Å; L324-F390 HydrophobicContact CD1-CD2 4.3Å; L324-F390 HydrophobicContact CD1-CE1 4.32Å; L324-F390 HydrophobicContact CD1-CG 3.7Å; L324-F390 HydrophobicContact CD2-CB 4.37Å; L324-F390 HydrophobicContact CD2-CD1 4.3Å; L324-F390 HydrophobicContact CD2-CD2 3.52Å; L324-F390 HydrophobicContact CD2-CE1 4.5Å; L324-F390 HydrophobicContact CD2-CE2 3.73Å; L324-F390 HydrophobicContact CD2-CG 3.8Å; L324-F390 HydrophobicContact CD2-CZ 4.22Å; L324-F390 HydrophobicContact CG-CG 4.43Å; T344-F390 HydrophobicContact CG2-CE1 4.27Å; T344-F390 HydrophobicContact CG2-CZ 4.22Å; W385-F390 AromaticContact CE2-CE2 3.89Å; W385-F390 HydrophobicContact CZ2-CE2 4.28Å; W385-F390 AromaticContact NE1-CE2 3.54Å; T386-F390 CarbonylContact O-C 3.54Å; T386-F390 WeakPolarHBondContact O-CA 3.34Å; T386-F390 WeakPolarHBondContact O-CB 3.42Å; T386-F390 PolarHBondContact O-N 3.12Å
391S87.1Confident87.3Confident17 Ų1736.5 Ų36.512%0.11920%0.201CC..SBendtrans-80.4157.2175.250.50000112.8L387 D393 Q394 F395L387-S391 WeakPolarHBondContact O-CB 3.36Å; L387-S391 PolarHBondContact O-OG 3.43Å; S391-D393 PolarHBondContact O-N 3.35Å; S391-Q394 PolarHBondContact O-N 3.22Å; S391-Q394 WeakPolarHBondContact OG-CG 3.15Å; S391-F395 PolarHBondContact O-N 3.4Å
392S87.9Confident87.4Confident14 Ų1434.9 Ų34.910%0.09819%0.187CC..Hα-helixtrans-50.8-37.1171.2178.70000112.2E195 F395 T396E195-S392 VanDerWaalsContact OE1-CB 3.28Å; E195-S392 WeakPolarHBondContact OE1-CB 3.41Å; E195-S392 PolarHBondContact OE1-OG 3.44Å; S392-F395 PolarHBondContact O-N 3.14Å; S392-T396 VanDerWaalsContact O-CB 3.27Å; S392-T396 WeakPolarHBondContact O-CB 3.44Å; S392-T396 PolarHBondContact O-N 3.26Å; S392-T396 PolarHBondContact O-OG1 3.14Å
393D84.4Confident87.3Confident126 Ų12635 Ų3567%0.67419%0.188SC*.Hα-helixtrans-65.7-42.1176.8-72.7-20.3000112.8S391 T396 A397S391-D393 PolarHBondContact O-N 3.35Å; D393-T396 PolarHBondContact O-N 2.97Å; D393-A397 WeakPolarHBondContact O-CB 2.97Å; D393-A397 PolarHBondContact O-N 3.27Å
394Q83.5Confident86.9Confident47 Ų4733 Ų3322%0.2218%0.183CC..Hα-helixtrans-68.2-41.6177.9-67.5-7013.100111.8Q388 S391 T396 A397 G398 N689Q388-Q394 WeakPolarHBondContact O-CG 3.14Å; Q388-Q394 PolarHBondContact O-NE2 3.29Å; S391-Q394 PolarHBondContact O-N 3.22Å; S391-Q394 WeakPolarHBondContact OG-CG 3.15Å; Q394-T396 VanDerWaalsContact C-N 3.34Å; Q394-A397 PolarHBondContact O-N 3.1Å; Q394-G398 PolarHBondContact O-N 3.33Å; Q394-N689 VanDerWaalsContact NE2-CB 3.28Å; Q394-N689 PolarHBondContact NE2-OD1 3.47Å
395F90.1Very high86.7Confident3 Ų329.7 Ų29.71%0.01316%0.164CC..Hα-helixtrans-61-45.8174.3-170.6-102.7000111.1L22 D25 A26 L189 Y190 C192 S391 S392 A397 G398 M399L22-F395 HydrophobicContact CD2-CZ 4.35Å; L22-F395 HydrophobicContact CG-CZ 4.38Å; D25-F395 HydrophobicContact CB-CD1 4.24Å; D25-F395 HydrophobicContact CB-CE1 3.8Å; D25-F395 HydrophobicContact CB-CZ 4.45Å; A26-F395 HydrophobicContact CB-CE1 3.99Å; A26-F395 HydrophobicContact CB-CZ 4.12Å; L189-F395 HydrophobicContact CD1-CD2 3.83Å; L189-F395 HydrophobicContact CD1-CE2 4.26Å; L189-F395 HydrophobicContact CD2-CD2 4.06Å; L189-F395 HydrophobicContact CD2-CE2 3.71Å; L189-F395 HydrophobicContact CD2-CZ 4.12Å; L189-F395 HydrophobicContact CG-CD2 3.67Å; L189-F395 HydrophobicContact CG-CE2 3.58Å; L189-F395 HydrophobicContact CG-CZ 4.46Å; Y190-F395 WeakPolarHBondContact O-CD2 3.43Å; C192-F395 HydrophobicContact CB-CB 3.86Å; C192-F395 HydrophobicContact CB-CG 4.32Å; S391-F395 PolarHBondContact O-N 3.4Å; S392-F395 PolarHBondContact O-N 3.14Å; F395-A397 VanDerWaalsContact C-N 3.33Å; F395-A397 PolarHBondContact O-N 3.41Å; F395-G398 WeakPolarHBondContact O-CA 3.44Å; F395-G398 PolarHBondContact O-N 2.94Å; F395-G398 VanDerWaalsContact O-N 3.1Å; F395-M399 HydrophobicContact CD1-CG 4.3Å; F395-M399 HydrophobicContact CE1-CG 4.13Å; F395-M399 WeakPolarHBondContact O-CG 3.2Å; F395-M399 PolarHBondContact O-N 3.03Å
396T89.4Confident86.7Confident19 Ų1929.5 Ų29.512%0.11716%0.164CC..Hα-helixtrans-61.1-40175.6-59.50000111.9S29 L33 S392 D393 Q394 G398 M399 A400S29-T396 WeakPolarHBondContact CB-OG1 3.32Å; S29-T396 PolarHBondContact OG-OG1 3.39Å; L33-T396 HydrophobicContact CD1-CG2 3.99Å; L33-T396 HydrophobicContact CD2-CG2 4.05Å; L33-T396 HydrophobicContact CG-CG2 3.88Å; S392-T396 VanDerWaalsContact O-CB 3.27Å; S392-T396 WeakPolarHBondContact O-CB 3.44Å; S392-T396 PolarHBondContact O-N 3.26Å; S392-T396 PolarHBondContact O-OG1 3.14Å; D393-T396 PolarHBondContact O-N 2.97Å; Q394-T396 VanDerWaalsContact C-N 3.34Å; T396-G398 VanDerWaalsContact C-N 3.33Å; T396-G398 PolarHBondContact O-N 3.4Å; T396-M399 PolarHBondContact O-N 3.4Å; T396-A400 WeakPolarHBondContact O-CB 3.38Å; T396-A400 PolarHBondContact O-N 3.25Å
397A83.1Confident86.6Confident27 Ų2732.1 Ų32.122%0.22318%0.175CC..Hα-helixtrans-64.7-36.6174.900000112.3D393 Q394 F395 A400 S401D393-A397 WeakPolarHBondContact O-CB 2.97Å; D393-A397 PolarHBondContact O-N 3.27Å; Q394-A397 PolarHBondContact O-N 3.1Å; F395-A397 VanDerWaalsContact C-N 3.33Å; F395-A397 PolarHBondContact O-N 3.41Å; A397-A400 PolarHBondContact O-N 3.35Å; A397-S401 WeakPolarHBondContact O-CB 3.27Å; A397-S401 PolarHBondContact O-N 2.82Å
398G84.1Confident85.9Confident13 Ų1333.4 Ų33.413%0.13419%0.187CC..Hα-helixtrans-63.1-44.7171.300000112.4Q394 F395 T396 S401 I402Q394-G398 PolarHBondContact O-N 3.33Å; F395-G398 WeakPolarHBondContact O-CA 3.44Å; F395-G398 PolarHBondContact O-N 2.94Å; F395-G398 VanDerWaalsContact O-N 3.1Å; T396-G398 VanDerWaalsContact C-N 3.33Å; T396-G398 PolarHBondContact O-N 3.4Å; G398-S401 WeakPolarHBondContact O-CB 3.34Å; G398-S401 PolarHBondContact O-N 3.39Å; G398-S401 VanDerWaalsContact O-N 3.17Å; G398-S401 PolarHBondContact O-OG 3.47Å; G398-I402 PolarHBondContact O-N 3.31Å
399M91.1Very high84.9Confident0 Ų035.1 Ų35.10%019%0.19CC..Hα-helixtrans-64-40.1174.7-67.1-56-64.300112.7F9 A26 L30 F103 L189 F395 T396 S401 I402 C403F9-M399 HydrophobicContact CZ-CE 4.43Å; A26-M399 HydrophobicContact CB-CE 3.8Å; A26-M399 HydrophobicContact CB-SD 4.06Å; L30-M399 HydrophobicContact CD1-CE 3.52Å; L30-M399 HydrophobicContact CD2-CB 3.9Å; L30-M399 HydrophobicContact CD2-CE 4.04Å; L30-M399 HydrophobicContact CG-CB 4.31Å; L30-M399 HydrophobicContact CG-CE 3.67Å; F103-M399 HydrophobicContact CD1-CE 4.45Å; F103-M399 HydrophobicContact CE1-CE 3.62Å; F103-M399 HydrophobicContact CE1-SD 4.45Å; F103-M399 HydrophobicContact CE2-CE 4.1Å; F103-M399 HydrophobicContact CZ-CE 3.41Å; F103-M399 VanDerWaalsContact CZ-CE 3.41Å; L189-M399 HydrophobicContact CD2-CG 4.06Å; L189-M399 HydrophobicContact CD2-SD 3.43Å; L189-M399 WeakPolarHBondContact CD2-SD 3.28Å; F395-M399 HydrophobicContact CD1-CG 4.3Å; F395-M399 HydrophobicContact CE1-CG 4.13Å; F395-M399 WeakPolarHBondContact O-CG 3.2Å; F395-M399 PolarHBondContact O-N 3.03Å; T396-M399 PolarHBondContact O-N 3.4Å; M399-S401 VanDerWaalsContact C-N 3.28Å; M399-S401 PolarHBondContact O-N 2.88Å; M399-I402 WeakPolarHBondContact O-CG2 3.43Å; M399-I402 PolarHBondContact O-N 3.32Å; M399-C403 PolarHBondContact O-N 3.41Å
400A87.6Confident83.1Confident22 Ų2238.3 Ų38.318%0.18222%0.216CC..Hα-helixtrans-60.7-41.7172.400000111.2L33 T396 A397 I402 C403 D404L33-A400 HydrophobicContact CD1-CB 3.67Å; L33-A400 HydrophobicContact CD2-CB 4.24Å; T396-A400 WeakPolarHBondContact O-CB 3.38Å; T396-A400 PolarHBondContact O-N 3.25Å; A397-A400 PolarHBondContact O-N 3.35Å; A400-I402 VanDerWaalsContact C-N 3.28Å; A400-I402 PolarHBondContact O-N 3.33Å; A400-C403 WeakPolarHBondContact O-CB 3.27Å; A400-C403 PolarHBondContact O-N 3.13Å; A400-C403 VanDerWaalsContact O-N 3.16Å; A400-D404 PolarHBondContact O-N 2.87Å
401S83.8Confident80.6Confident41 Ų4145.8 Ų45.829%0.28726%0.256SS..Hα-helixtrans-63.4-31.2-177.881.70000113.2A397 G398 M399 Y405A397-S401 WeakPolarHBondContact O-CB 3.27Å; A397-S401 PolarHBondContact O-N 2.82Å; G398-S401 WeakPolarHBondContact O-CB 3.34Å; G398-S401 PolarHBondContact O-N 3.39Å; G398-S401 VanDerWaalsContact O-N 3.17Å; G398-S401 PolarHBondContact O-OG 3.47Å; M399-S401 VanDerWaalsContact C-N 3.28Å; M399-S401 PolarHBondContact O-N 2.88Å; S401-Y405 WeakPolarHBondContact O-CA 3.44Å; S401-Y405 WeakPolarHBondContact O-CB 3.46Å; S401-Y405 PolarHBondContact O-N 2.92Å
402I88.3Confident78Confident1 Ų148.5 Ų48.51%0.00529%0.287CS..Hα-helixtrans-77.7-31.1176.1-169.764000112.6F103 V123 Y161 F163 G398 M399 A400 Y405 F406F103-I402 HydrophobicContact CZ-CG2 3.98Å; V123-I402 HydrophobicContact CG2-CD1 4.39Å; V123-I402 HydrophobicContact CG2-CG1 3.92Å; Y161-I402 HydrophobicContact CD1-CD1 3.71Å; Y161-I402 HydrophobicContact CD2-CD1 3.62Å; Y161-I402 HydrophobicContact CE1-CD1 4.05Å; Y161-I402 HydrophobicContact CE2-CD1 3.97Å; Y161-I402 HydrophobicContact CG-CD1 3.5Å; Y161-I402 VanDerWaalsContact CG-CD1 3.5Å; F163-I402 HydrophobicContact CE2-CB 3.83Å; F163-I402 HydrophobicContact CE2-CD1 4.4Å; F163-I402 HydrophobicContact CE2-CG1 3.88Å; F163-I402 HydrophobicContact CE2-CG2 3.81Å; F163-I402 HydrophobicContact CZ-CB 3.75Å; F163-I402 HydrophobicContact CZ-CD1 4.4Å; F163-I402 HydrophobicContact CZ-CG1 4.15Å; F163-I402 HydrophobicContact CZ-CG2 4.03Å; G398-I402 PolarHBondContact O-N 3.31Å; M399-I402 WeakPolarHBondContact O-CG2 3.43Å; M399-I402 PolarHBondContact O-N 3.32Å; A400-I402 VanDerWaalsContact C-N 3.28Å; A400-I402 PolarHBondContact O-N 3.33Å; I402-Y405 HydrophobicContact CD1-CD1 3.8Å; I402-Y405 HydrophobicContact CD1-CG 4.03Å; I402-Y405 WeakPolarHBondContact O-CB 3.38Å; I402-Y405 PolarHBondContact O-N 2.91Å; I402-F406 HydrophobicContact CD1-CD2 3.97Å; I402-F406 HydrophobicContact CD1-CE2 3.54Å; I402-F406 HydrophobicContact CD1-CZ 4.4Å; I402-F406 HydrophobicContact CG1-CD2 4.09Å; I402-F406 HydrophobicContact CG1-CE2 3.91Å; I402-F406 WeakPolarHBondContact O-CD2 3.43Å; I402-F406 PolarHBondContact O-N 2.99Å; I402-F406 VanDerWaalsContact O-N 3.15Å
403C89.2Confident75.3Confident3 Ų351.8 Ų51.82%0.0231%0.31CS..Hα-helixtrans-64.9-51.1169.7-700000110.4L5 L30 M399 A400 Y405 F406 F407L5-C403 HydrophobicContact CD1-CB 3.88Å; L30-C403 WeakPolarHBondContact CD2-SG 3.34Å; M399-C403 PolarHBondContact O-N 3.41Å; A400-C403 WeakPolarHBondContact O-CB 3.27Å; A400-C403 PolarHBondContact O-N 3.13Å; A400-C403 VanDerWaalsContact O-N 3.16Å; C403-Y405 PolarHBondContact O-N 2.85Å; C403-F406 PolarHBondContact O-N 2.8Å; C403-F407 WeakPolarHBondContact O-CD2 3.18Å; C403-F407 PolarHBondContact O-N 2.85Å
404D83.4Confident72.8Confident36 Ų3652.3 Ų52.319%0.19331%0.313CS..Hα-helixtrans-65-28.4177.1-74.1-23.4000112A400 R409 I415A400-D404 PolarHBondContact O-N 2.87Å; D404-R409 IonicContact OD1-NH2 3.76Å; D404-I415 WeakPolarHBondContact OD2-CG2 3.5Å
405Y83.7Confident70.6Confident33 Ų3354.5 Ų54.513%0.12933%0.325CS..Hα-helixtrans-54.5-72.3168.9-178.4-89.2000106Y161 P185 S401 I402 C403 F407 R419Y161-Y405 HydrophobicContact CD2-CD1 4.12Å; Y161-Y405 HydrophobicContact CD2-CD2 4.49Å; Y161-Y405 AromaticContact CD2-CE1 3.64Å; Y161-Y405 HydrophobicContact CD2-CE1 3.64Å; Y161-Y405 HydrophobicContact CD2-CE2 4.09Å; Y161-Y405 AromaticContact CD2-CZ 3.72Å; Y161-Y405 HydrophobicContact CE2-CD2 4.14Å; Y161-Y405 HydrophobicContact CE2-CE1 4.19Å; Y161-Y405 AromaticContact CE2-CE2 3.8Å; Y161-Y405 HydrophobicContact CE2-CE2 3.8Å; Y161-Y405 AromaticContact CE2-CZ 3.91Å; P185-Y405 VanDerWaalsContact CB-OH 3.26Å; P185-Y405 WeakPolarHBondContact CB-OH 3.46Å; P185-Y405 WeakPolarHBondContact CG-OH 3.39Å; S401-Y405 WeakPolarHBondContact O-CA 3.44Å; S401-Y405 WeakPolarHBondContact O-CB 3.46Å; S401-Y405 PolarHBondContact O-N 2.92Å; I402-Y405 HydrophobicContact CD1-CD1 3.8Å; I402-Y405 HydrophobicContact CD1-CG 4.03Å; I402-Y405 WeakPolarHBondContact O-CB 3.38Å; I402-Y405 PolarHBondContact O-N 2.91Å; C403-Y405 PolarHBondContact O-N 2.85Å; Y405-F407 VanDerWaalsContact C-N 3.35Å; Y405-F407 PolarHBondContact O-N 3.27Å; Y405-R419 HydrophobicContact CD2-CB 3.98Å; Y405-R419 HydrophobicContact CD2-CG 3.21Å; Y405-R419 VanDerWaalsContact CD2-CZ 3.46Å; Y405-R419 HydrophobicContact CE2-CG 3.4Å; Y405-R419 HydrophobicContact CG-CG 4.1Å; Y405-R419 PolarHBondContact O-NH1 2.78Å; Y405-R419 PolarHBondContact OH-NH2 2.93Å
406F88.4Confident67.9Low27 Ų2759.1 Ų59.112%0.11836%0.358CS..Hα-helixtrans-69.1-28.2-170.4-72.7-62.6000115.6L101 K121 V123 D160 I402 C403 P408L101-F406 HydrophobicContact CD1-CD2 3.85Å; L101-F406 HydrophobicContact CD1-CE2 4.14Å; K121-F406 HydrophobicContact CB-CD1 3.98Å; K121-F406 HydrophobicContact CB-CD2 4.09Å; K121-F406 HydrophobicContact CB-CE1 4.12Å; K121-F406 HydrophobicContact CB-CE2 4.22Å; K121-F406 HydrophobicContact CB-CG 3.94Å; K121-F406 HydrophobicContact CB-CZ 4.21Å; K121-F406 HydrophobicContact CD-CD1 3.75Å; K121-F406 HydrophobicContact CD-CE1 3.87Å; K121-F406 HydrophobicContact CD-CG 4.47Å; K121-F406 HydrophobicContact CG-CB 4.09Å; K121-F406 HydrophobicContact CG-CD1 3.56Å; K121-F406 HydrophobicContact CG-CD2 4.44Å; K121-F406 HydrophobicContact CG-CE1 4.02Å; K121-F406 HydrophobicContact CG-CG 3.79Å; V123-F406 HydrophobicContact CG2-CD2 4.5Å; V123-F406 HydrophobicContact CG2-CE2 3.68Å; V123-F406 HydrophobicContact CG2-CZ 4.49Å; D160-F406 HydrophobicContact CB-CE1 3.77Å; D160-F406 HydrophobicContact CB-CZ 3.63Å; I402-F406 HydrophobicContact CD1-CD2 3.97Å; I402-F406 HydrophobicContact CD1-CE2 3.54Å; I402-F406 HydrophobicContact CD1-CZ 4.4Å; I402-F406 HydrophobicContact CG1-CD2 4.09Å; I402-F406 HydrophobicContact CG1-CE2 3.91Å; I402-F406 WeakPolarHBondContact O-CD2 3.43Å; I402-F406 PolarHBondContact O-N 2.99Å; I402-F406 VanDerWaalsContact O-N 3.15Å; C403-F406 PolarHBondContact O-N 2.8Å; F406-P408 VanDerWaalsContact C-CD 3.44Å; F406-P408 WeakPolarHBondContact O-CD 3.29Å
407F89.4Confident65.3Low56 Ų5659.9 Ų59.925%0.24637%0.369CS..SBendtrans-127.665.5-172.4-51.3-76.4000110.6L5 Q100 L101 K121 C403 Y405L5-F407 HydrophobicContact CD1-CD2 3.51Å; L5-F407 HydrophobicContact CD1-CE2 4.03Å; L5-F407 HydrophobicContact CD1-CG 4.21Å; L5-F407 HydrophobicContact CD2-CB 4.28Å; L5-F407 HydrophobicContact CD2-CD1 4.28Å; L5-F407 HydrophobicContact CD2-CD2 3.86Å; L5-F407 HydrophobicContact CD2-CE2 4.3Å; L5-F407 HydrophobicContact CD2-CG 3.86Å; L5-F407 HydrophobicContact CG-CD2 4.36Å; Q100-F407 HydrophobicContact CB-CE1 3.97Å; Q100-F407 HydrophobicContact CB-CE2 4.37Å; Q100-F407 HydrophobicContact CB-CZ 3.69Å; Q100-F407 WeakPolarHBondContact O-CZ 3.24Å; L101-F407 HydrophobicContact CB-CE2 4.2Å; L101-F407 HydrophobicContact CD1-CE2 4.47Å; K121-F407 HydrophobicContact CG-CZ 4.09Å; C403-F407 WeakPolarHBondContact O-CD2 3.18Å; C403-F407 PolarHBondContact O-N 2.85Å; Y405-F407 VanDerWaalsContact C-N 3.35Å; Y405-F407 PolarHBondContact O-N 3.27Å
408P70.5Confident63.2Low86 Ų8663.4 Ų63.456%0.55838%0.379SS*.  trans-65.7139.9-178.528.5-34000110.4F406F406-P408 VanDerWaalsContact C-CD 3.44Å; F406-P408 WeakPolarHBondContact O-CD 3.29Å
409R64.3Low60.9Low113 Ų11368 Ų6843%0.42639%0.392SS..  trans-77.2132.7-177-60-177.4-163.117111111.3D404 N411D404-R409 IonicContact OD1-NH2 3.76Å; R409-N411 PolarHBondContact O-N 2.97Å
410P44.7Very low58.5Low118 Ų11876.4 Ų76.477%0.76643%0.429SS*.SBendtrans-77.6108.2168.329.7-27.5000108.1
411N38.4Very low56.6Low159 Ų15978 Ų7885%0.8543%0.431SS*.SBendtrans81.4118.6175.4-55.2-23.8000117.7R409R409-N411 PolarHBondContact O-N 2.97Å
412G32.9Very low55.1Low74 Ų7480.3 Ų80.376%0.76344%0.44SS*.SBendtrans90.770147.100000118.3
413S31.7Very low54.2Low84 Ų8486.8 Ų86.859%0.58747%0.468SS*.SBendtrans160.9130.4136.2450000108.5I415S413-I415 VanDerWaalsContact C-N 3.34Å; S413-I415 PolarHBondContact O-N 3.41Å
414N31.1Very low53.8Low136 Ų13689.7 Ų89.773%0.72748%0.482SS*.THydrogen-bonded Turntrans-60.679.2-169.3-76.1-22000114.3
415I38.5Very low54.2Low94 Ų9488.1 Ų88.148%0.48247%0.473SS..THydrogen-bonded Turntrans-127.5-7162.3-49.1-179.6000111.2D404 S413 G417D404-I415 WeakPolarHBondContact OD2-CG2 3.5Å; S413-I415 VanDerWaalsContact C-N 3.34Å; S413-I415 PolarHBondContact O-N 3.41Å; I415-G417 PolarHBondContact O-N 2.83Å
416S32.9Very low54.5Low100 Ų10091.6 Ų91.670%0.69949%0.494SS*.THydrogen-bonded Turntrans-67.22.417060.20000114.6
417G34.6Very low54.6Low34 Ų3492.4 Ų92.435%0.35151%0.51SS..THydrogen-bonded Turntrans-62.5-58171.800000112I415 R419 F420 W421I415-G417 PolarHBondContact O-N 2.83Å; G417-R419 VanDerWaalsContact C-N 3.3Å; G417-R419 PolarHBondContact O-N 3.05Å; G417-F420 PolarHBondContact O-N 2.98Å; G417-W421 PolarHBondContact O-NE1 2.94Å
418K39Very low55Low101 Ų10192.6 Ų92.644%0.43951%0.511SS..THydrogen-bonded Turntrans-57.5-24.5-155.5-81.6-179.1179.6173.60117.3W421 N690K418-W421 VanDerWaalsContact CA-CD1 3.44Å; K418-N690 PolarHBondContact NZ-OD1 3.03Å
419R36.4Very low56.3Low109 Ų10988.7 Ų88.741%0.41149%0.485SS..THydrogen-bonded Turntrans-86.5-25.7-173.7178.5175.2179.7159.65.5115.3Y405 G417 W421Y405-R419 HydrophobicContact CD2-CB 3.98Å; Y405-R419 HydrophobicContact CD2-CG 3.21Å; Y405-R419 VanDerWaalsContact CD2-CZ 3.46Å; Y405-R419 HydrophobicContact CE2-CG 3.4Å; Y405-R419 HydrophobicContact CG-CG 4.1Å; Y405-R419 PolarHBondContact O-NH1 2.78Å; Y405-R419 PolarHBondContact OH-NH2 2.93Å; G417-R419 VanDerWaalsContact C-N 3.3Å; G417-R419 PolarHBondContact O-N 3.05Å; R419-W421 VanDerWaalsContact C-N 3.29Å
420F39.8Very low57.9Low177 Ų17783.3 Ų83.378%0.77647%0.465SS*.SBendtrans-83.8-7.5-179.5-145.6-95.7000112.9G417 M424G417-F420 PolarHBondContact O-N 2.98Å; F420-M424 HydrophobicContact CD1-SD 4.29Å; F420-M424 WeakPolarHBondContact O-CG 3.4Å
421W47Very low60.5Low55 Ų5577.7 Ų77.721%0.20843%0.428CS..G310 helixtrans-77.8-31.2-168.4-75100.1000116.5G417 K418 R419 K423 M424 V658 H659 F685G417-W421 PolarHBondContact O-NE1 2.94Å; K418-W421 VanDerWaalsContact CA-CD1 3.44Å; R419-W421 VanDerWaalsContact C-N 3.29Å; W421-K423 PolarHBondContact O-N 2.71Å; W421-M424 HydrophobicContact CD2-CE 4.48Å; W421-M424 HydrophobicContact CE3-CE 3.87Å; W421-M424 HydrophobicContact CZ3-CE 4.13Å; W421-M424 PolarHBondContact O-N 2.76Å; W421-V658 HydrophobicContact CE3-CG1 4.06Å; W421-V658 HydrophobicContact CZ3-CB 4.42Å; W421-V658 HydrophobicContact CZ3-CG1 3.7Å; W421-H659 AromaticContact CH2-CD2 3.15Å; W421-H659 WeakPolarHBondContact CH2-CD2 3.07Å; W421-H659 AromaticContact CH2-CE1 3.13Å; W421-H659 WeakPolarHBondContact CH2-CE1 3.5Å; W421-H659 AromaticContact CH2-CG 3.83Å; W421-H659 AromaticContact CH2-ND1 3.78Å; W421-H659 AromaticContact CH2-NE2 2.74Å; W421-H659 WeakPolarHBondContact CH2-NE2 3.45Å; W421-H659 AromaticContact CZ2-CD2 3.94Å; W421-H659 AromaticContact CZ2-CE1 3.2Å; W421-H659 WeakPolarHBondContact CZ2-CE1 3.48Å; W421-H659 AromaticContact CZ2-NE2 3.02Å; W421-H659 WeakPolarHBondContact CZ2-NE2 3.43Å; W421-H659 AromaticContact CZ3-CD2 3.83Å; W421-H659 AromaticContact CZ3-CE1 3.87Å; W421-H659 AromaticContact CZ3-NE2 3.75Å; W421-F685 HydrophobicContact CZ2-CB 4.37Å
422L53Low63.3Low91 Ų9170.1 Ų70.148%0.47639%0.388SS..G310 helixtrans-64.1-6.5-161.4-97.4149.9000114.9
423K68.5Low66.3Low137 Ų13766.6 Ų66.660%0.59635%0.352SS*.G310 helixtrans-152.325.3179-72.6-157.4177.3-167.60115W421 L425 N426 A450W421-K423 PolarHBondContact O-N 2.71Å; K423-L425 PolarHBondContact O-N 3.07Å; K423-L425 VanDerWaalsContact O-N 3.12Å; K423-N426 HydrophobicContact CB-CB 3.95Å; K423-N426 HydrophobicContact CD-CB 4.38Å; K423-N426 HydrophobicContact CG-CB 4.44Å; K423-N426 WeakPolarHBondContact O-CB 3.33Å; K423-N426 PolarHBondContact O-N 3.41Å; K423-A450 CarbonylContact C-O 3.4Å; K423-A450 WeakPolarHBondContact CA-O 3.16Å
424M81.7Confident69.3Low64 Ų6463.3 Ų63.332%0.31533%0.332SS..THydrogen-bonded Turntrans-57.5-28.7-178.2-73.5-127.3-75.200113.7F420 W421 A450 S662F420-M424 HydrophobicContact CD1-SD 4.29Å; F420-M424 WeakPolarHBondContact O-CG 3.4Å; W421-M424 HydrophobicContact CD2-CE 4.48Å; W421-M424 HydrophobicContact CE3-CE 3.87Å; W421-M424 HydrophobicContact CZ3-CE 4.13Å; W421-M424 PolarHBondContact O-N 2.76Å; M424-A450 PolarHBondContact N-O 3.47Å; M424-A450 VanDerWaalsContact N-O 3.09Å; M424-S662 WeakPolarHBondContact CE-OG 3.41Å
425L92Very high72.2Confident2 Ų256.9 Ų56.91%0.0130%0.297CS..THydrogen-bonded Turntrans-109.120.1-179.4-58.6-178.1000112.4K423 G427 K428 L447 A450 A452 I506 V658 A661K423-L425 PolarHBondContact O-N 3.07Å; K423-L425 VanDerWaalsContact O-N 3.12Å; L425-G427 PolarHBondContact O-N 3.14Å; L425-K428 HydrophobicContact CB-CB 4.15Å; L425-K428 HydrophobicContact CB-CG 4.23Å; L425-K428 HydrophobicContact CD2-CG 4.3Å; L425-K428 WeakPolarHBondContact O-CB 3.29Å; L425-K428 PolarHBondContact O-N 3.26Å; L425-L447 HydrophobicContact CD1-CD2 3.5Å; L425-L447 VanDerWaalsContact CD1-CD2 3.5Å; L425-A450 HydrophobicContact CB-CB 4.14Å; L425-A450 HydrophobicContact CD1-CB 3.92Å; L425-A450 HydrophobicContact CG-CB 3.93Å; L425-A450 PolarHBondContact N-O 2.67Å; L425-A452 HydrophobicContact CB-CB 3.93Å; L425-A452 HydrophobicContact CD1-CB 4.45Å; L425-A452 WeakPolarHBondContact O-CA 3.48Å; L425-I506 HydrophobicContact CD1-CD1 3.96Å; L425-I506 HydrophobicContact CD2-CD1 4.34Å; L425-V658 HydrophobicContact CD1-CB 4.45Å; L425-V658 HydrophobicContact CD1-CG1 4.27Å; L425-V658 HydrophobicContact CD1-CG2 4.18Å; L425-A661 HydrophobicContact CD1-CB 4.3Å; L425-A661 HydrophobicContact CD2-CB 3.79Å
426N89.9Confident74.4Confident107 Ų10754.4 Ų54.457%0.57229%0.288SS*.THydrogen-bonded Turntrans-60.2127.7177.8-173.661.8000111.2K423 K428 G451K423-N426 HydrophobicContact CB-CB 3.95Å; K423-N426 HydrophobicContact CD-CB 4.38Å; K423-N426 HydrophobicContact CG-CB 4.44Å; K423-N426 WeakPolarHBondContact O-CB 3.33Å; K423-N426 PolarHBondContact O-N 3.41Å; N426-K428 VanDerWaalsContact C-N 3.3Å; N426-G451 WeakPolarHBondContact CA-O 3.32Å
427G91.5Very high76.9Confident44 Ų4455.9 Ų55.945%0.45428%0.278SS..THydrogen-bonded Turntrans797.9-174.600000114.7L425L425-G427 PolarHBondContact O-N 3.14Å
428K96Very high79.5Confident60 Ų6054.5 Ų54.526%0.26126%0.264SS..  trans-93.2140.7170.6-62.7-71-178.91720110.7L425 N426 A452 T453 D505L425-K428 HydrophobicContact CB-CB 4.15Å; L425-K428 HydrophobicContact CB-CG 4.23Å; L425-K428 HydrophobicContact CD2-CG 4.3Å; L425-K428 WeakPolarHBondContact O-CB 3.29Å; L425-K428 PolarHBondContact O-N 3.26Å; N426-K428 VanDerWaalsContact C-N 3.3Å; K428-A452 WeakPolarHBondContact O-CA 3.48Å; K428-T453 PolarHBondContact O-N 3.11Å; K428-D505 WeakPolarHBondContact CA-OD2 3.28Å; K428-D505 HydrophobicContact CB-CB 4.25Å; K428-D505 HydrophobicContact CD-CB 3.62Å; K428-D505 WeakPolarHBondContact CD-OD1 3.48Å; K428-D505 IonicContact NZ-OD1 3.01Å; K428-D505 PolarHBondContact NZ-OD1 2.97Å
429V97.9Very high82.1Confident3 Ų351.1 Ų51.12%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-103.6126.5175-177.80000109.2T453 Y455 I496 E500 R503 L504 D505 I506V429-T453 WeakPolarHBondContact CA-O 3.39Å; V429-Y455 HydrophobicContact CG1-CD2 4.07Å; V429-Y455 HydrophobicContact CG1-CE2 4.03Å; V429-I496 HydrophobicContact CG1-CG2 4.39Å; V429-E500 HydrophobicContact CG1-CB 4.4Å; V429-E500 HydrophobicContact CG1-CG 3.86Å; V429-E500 HydrophobicContact CG2-CB 4.17Å; V429-E500 HydrophobicContact CG2-CG 4.06Å; V429-E500 WeakPolarHBondContact CG2-OE2 3.25Å; V429-R503 HydrophobicContact CG2-CG 4.3Å; V429-L504 HydrophobicContact CG1-CD1 4.06Å; V429-D505 PolarHBondContact N-OD2 3.29Å; V429-D505 WeakPolarHBondContact O-CA 3.27Å; V429-D505 WeakPolarHBondContact O-CB 3.49Å; V429-D505 PolarHBondContact O-N 2.79Å; V429-I506 PolarHBondContact O-N 3.46Å
430A98.4Very high84.9Confident0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-125.6141.6-178.900000111.9L447 T453 V454 Y455 I506A430-L447 HydrophobicContact CB-CD1 3.93Å; A430-T453 PolarHBondContact N-O 2.93Å; A430-V454 CarbonylContact O-C 3.57Å; A430-V454 WeakPolarHBondContact O-CA 3.16Å; A430-Y455 PolarHBondContact O-N 2.89Å; A430-I506 CarbonylContact C-O 3.55Å; A430-I506 VanDerWaalsContact CA-O 3.28Å; A430-I506 WeakPolarHBondContact CA-O 3.38Å; A430-I506 HydrophobicContact CB-CB 3.85Å; A430-I506 HydrophobicContact CB-CD1 4.27Å; A430-I506 HydrophobicContact CB-CG2 4.42Å
431L98.4Very high87.4Confident0 Ų039.6 Ų39.60%020%0.202CC..EExtended strand (participates in β ladder)trans-113.9127.4168.5171.359.6000109.5T433 Y455 T457 L492 F493 I496 L504 I506 L507 V508L431-T433 HydrophobicContact CG-CG2 4.41Å; L431-Y455 WeakPolarHBondContact CA-O 3.47Å; L431-T457 HydrophobicContact CD1-CG2 4.03Å; L431-L492 HydrophobicContact CD1-CD1 4.33Å; L431-L492 HydrophobicContact CD1-CD2 4.21Å; L431-L492 HydrophobicContact CD2-CD2 3.86Å; L431-L492 HydrophobicContact CD2-CG 4.36Å; L431-F493 HydrophobicContact CD2-CE1 4.02Å; L431-F493 HydrophobicContact CD2-CE2 4.02Å; L431-F493 HydrophobicContact CD2-CZ 3.61Å; L431-I496 HydrophobicContact CB-CD1 4.28Å; L431-I496 HydrophobicContact CD1-CD1 4.05Å; L431-I496 HydrophobicContact CD2-CD1 3.88Å; L431-I496 HydrophobicContact CG-CD1 4.29Å; L431-L504 HydrophobicContact CB-CD1 4.08Å; L431-I506 PolarHBondContact N-O 3.23Å; L431-L507 HydrophobicContact CB-CD1 4.22Å; L431-L507 HydrophobicContact CD2-CD1 3.86Å; L431-L507 HydrophobicContact CG-CD1 3.97Å; L431-V508 PolarHBondContact O-N 2.95Å
432V97.8Very high89.6Confident0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-115.8117.8172.4-171.20000109.5A435 I443 A444 L447 V454 Y455 T457 V508V432-A435 HydrophobicContact CB-CB 4.09Å; V432-A435 HydrophobicContact CG1-CB 3.88Å; V432-I443 HydrophobicContact CG1-CB 4.24Å; V432-I443 HydrophobicContact CG1-CG2 4.07Å; V432-I443 HydrophobicContact CG2-CG2 3.9Å; V432-A444 HydrophobicContact CG2-CB 4.43Å; V432-L447 HydrophobicContact CG2-CD1 3.56Å; V432-V454 HydrophobicContact CG2-CG1 4.09Å; V432-Y455 PolarHBondContact N-O 3Å; V432-T457 PolarHBondContact O-N 3.43Å; V432-V508 HydrophobicContact CG1-CB 4.41Å; V432-V508 HydrophobicContact CG2-CB 4.47Å
433T97.1Very high91.7Very high0 Ų032.7 Ų32.70%017%0.169CC..THydrogen-bonded Turntrans-83.9136.7178.571.80000112L431 T457 H483 L507 V508 N509 N510 A511L431-T433 HydrophobicContact CG-CG2 4.41Å; T433-T457 WeakPolarHBondContact CA-OG1 3.36Å; T433-H483 VanDerWaalsContact CG2-CE1 3.42Å; T433-H483 WeakPolarHBondContact CG2-CE1 3.18Å; T433-L507 HydrophobicContact CG2-CD1 4.29Å; T433-V508 PolarHBondContact N-O 2.96Å; T433-V508 PolarHBondContact OG1-O 2.73Å; T433-N509 WeakPolarHBondContact OG1-CA 3.28Å; T433-N510 CarbonylContact O-C 3.59Å; T433-N510 VanDerWaalsContact O-CB 3.28Å; T433-N510 WeakPolarHBondContact O-CB 3.25Å; T433-N510 PolarHBondContact O-ND2 2.86Å; T433-N510 VanDerWaalsContact O-ND2 3.09Å; T433-N510 PolarHBondContact OG1-N 3.31Å; T433-A511 PolarHBondContact O-N 3.46Å; T433-A511 VanDerWaalsContact O-N 3.13Å; T433-A511 PolarHBondContact OG1-N 3.36Å
434G93.1Very high92.9Very high16 Ų1626.2 Ų26.217%0.16514%0.142CC..THydrogen-bonded Turntrans6348.7-179.700000113.5T457 N510G434-T457 CarbonylContact C-O 3.47Å; G434-T457 VanDerWaalsContact CA-O 3.24Å; G434-T457 WeakPolarHBondContact CA-O 3.4Å; G434-T457 PolarHBondContact N-O 2.92Å; G434-T457 VanDerWaalsContact N-O 3.08Å; G434-T457 PolarHBondContact N-OG1 3.44Å; G434-N510 PolarHBondContact O-ND2 2.86Å; G434-N510 VanDerWaalsContact O-ND2 3.07Å
435A92Very high93.4Very high1 Ų123.4 Ų23.41%0.00813%0.128CC..  trans-93.64.8-174.200000114.6V432 R437 R441 A444 I456 T457 L465V432-A435 HydrophobicContact CB-CB 4.09Å; V432-A435 HydrophobicContact CG1-CB 3.88Å; A435-R437 PolarHBondContact O-N 3.09Å; A435-R441 VanDerWaalsContact O-CA 3.24Å; A435-R441 WeakPolarHBondContact O-CA 3.19Å; A435-R441 WeakPolarHBondContact O-CB 3.33Å; A435-R441 PolarHBondContact O-N 3.07Å; A435-A444 HydrophobicContact CB-CB 4.31Å; A435-I456 HydrophobicContact CB-CB 3.77Å; A435-I456 HydrophobicContact CB-CG2 3.7Å; A435-T457 PolarHBondContact N-O 2.91Å; A435-L465 WeakPolarHBondContact O-CD2 3.47Å
436S84.8Confident93.5Very high42 Ų4224.1 Ų24.129%0.29413%0.131SC..SBendtrans-65.2-24.7179.452.60000114
437R85.6Confident93.8Very high130 Ų13019 Ų1949%0.49110%0.104SC..SBendtrans-153.3172.5-179.367.4-17896.9-179.25.6112.1A435 R441A435-R437 PolarHBondContact O-N 3.09Å; R437-R441 PolarHBondContact O-N 3.28Å
438G89.3Confident93.8Very high5 Ų516.9 Ų16.95%0.0528%0.082CC..Hα-helixtrans57.8-142.4168.500000114.1G440 R441 G442 E617 V650G438-G440 VanDerWaalsContact C-N 3.27Å; G438-G440 PolarHBondContact O-N 2.98Å; G438-R441 WeakPolarHBondContact O-CB 3.4Å; G438-R441 PolarHBondContact O-N 3.17Å; G438-R441 VanDerWaalsContact O-N 3.17Å; G438-G442 PolarHBondContact O-N 2.88Å; G438-G442 VanDerWaalsContact O-N 3.14Å; G438-E617 WeakPolarHBondContact CA-OE2 3.3Å; G438-E617 PolarHBondContact N-OE1 3.22Å; G438-E617 PolarHBondContact N-OE2 2.97Å; G438-V650 WeakPolarHBondContact O-CB 3.32Å
439I94.6Very high93.5Very high30 Ų3017.5 Ų17.515%0.1549%0.086CC..Hα-helixtrans-55.5-41.8-176.9-65.6168.5000111.8R441 G442 I443 N510 I567 P611 V614 T616 A653I439-R441 PolarHBondContact O-N 2.88Å; I439-G442 PolarHBondContact O-N 2.84Å; I439-I443 HydrophobicContact CG2-CD1 3.51Å; I439-I443 HydrophobicContact CG2-CG1 4.16Å; I439-I443 VanDerWaalsContact O-CG1 3.27Å; I439-I443 WeakPolarHBondContact O-CG1 3.39Å; I439-I443 PolarHBondContact O-N 3.45Å; I439-N510 WeakPolarHBondContact CG2-OD1 3.24Å; I439-I567 HydrophobicContact CD1-CG2 4.48Å; I439-I567 HydrophobicContact CG2-CG2 4.34Å; I439-P611 HydrophobicContact CD1-CB 4.49Å; I439-P611 HydrophobicContact CD1-CG 4.13Å; I439-V614 HydrophobicContact CD1-CB 4.2Å; I439-V614 HydrophobicContact CD1-CG1 4.4Å; I439-V614 HydrophobicContact CD1-CG2 3.84Å; I439-V614 HydrophobicContact CG1-CB 4.19Å; I439-V614 HydrophobicContact CG1-CG1 3.83Å; I439-V614 HydrophobicContact CG1-CG2 4.11Å; I439-T616 HydrophobicContact CG1-CG2 4.1Å; I439-A653 HydrophobicContact CG2-CB 3.91Å
440G94.6Very high93.1Very high0 Ų017.5 Ų17.50%09%0.086CC..Hα-helixtrans-61.8-43.3-179.800000112.6G438 G442 I443 A444 N510G438-G440 VanDerWaalsContact C-N 3.27Å; G438-G440 PolarHBondContact O-N 2.98Å; G440-G442 PolarHBondContact O-N 2.95Å; G440-I443 PolarHBondContact O-N 3.35Å; G440-A444 PolarHBondContact O-N 3.42Å; G440-N510 WeakPolarHBondContact CA-ND2 3.13Å; G440-N510 PolarHBondContact N-ND2 3.47Å
441R92.3Very high92.6Very high45 Ų4517.9 Ų17.917%0.179%0.09CC..Hα-helixtrans-58.7-48173.8176.8175.9179.8-168.23.5110.8E349 A435 R437 G438 I439 I443 A444 L445 L465 E617E349-R441 IonicContact OE1-NH1 3.69Å; E349-R441 PolarHBondContact OE1-NH1 3.21Å; A435-R441 VanDerWaalsContact O-CA 3.24Å; A435-R441 WeakPolarHBondContact O-CA 3.19Å; A435-R441 WeakPolarHBondContact O-CB 3.33Å; A435-R441 PolarHBondContact O-N 3.07Å; R437-R441 PolarHBondContact O-N 3.28Å; G438-R441 WeakPolarHBondContact O-CB 3.4Å; G438-R441 PolarHBondContact O-N 3.17Å; G438-R441 VanDerWaalsContact O-N 3.17Å; I439-R441 PolarHBondContact O-N 2.88Å; R441-I443 VanDerWaalsContact C-N 3.33Å; R441-I443 PolarHBondContact O-N 3.16Å; R441-A444 PolarHBondContact O-N 3.25Å; R441-L445 HydrophobicContact CG-CD1 4.1Å; R441-L445 VanDerWaalsContact O-CG 3.31Å; R441-L445 WeakPolarHBondContact O-CG 3.44Å; R441-L445 PolarHBondContact O-N 3.4Å; R441-L465 HydrophobicContact CG-CD1 3.82Å; R441-E617 IonicContact NH1-OE1 3.23Å
442G93Very high92.4Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-64.1-35.5179.400000113.8G438 I439 G440 Q446 V650G438-G442 PolarHBondContact O-N 2.88Å; G438-G442 VanDerWaalsContact O-N 3.14Å; I439-G442 PolarHBondContact O-N 2.84Å; G440-G442 PolarHBondContact O-N 2.95Å; G442-Q446 WeakPolarHBondContact O-CG 3.27Å; G442-Q446 PolarHBondContact O-N 2.88Å; G442-Q446 VanDerWaalsContact O-N 3.17Å; G442-V650 WeakPolarHBondContact CA-O 3.08Å
443I96.5Very high92.3Very high0 Ų018.8 Ų18.80%010%0.096CC..Hα-helixtrans-65.7-46.8173.7-67.7166.4000111V432 I439 G440 R441 L445 Q446 L447 V508 I567 A653 V657V432-I443 HydrophobicContact CG1-CB 4.24Å; V432-I443 HydrophobicContact CG1-CG2 4.07Å; V432-I443 HydrophobicContact CG2-CG2 3.9Å; I439-I443 HydrophobicContact CG2-CD1 3.51Å; I439-I443 HydrophobicContact CG2-CG1 4.16Å; I439-I443 VanDerWaalsContact O-CG1 3.27Å; I439-I443 WeakPolarHBondContact O-CG1 3.39Å; I439-I443 PolarHBondContact O-N 3.45Å; G440-I443 PolarHBondContact O-N 3.35Å; R441-I443 VanDerWaalsContact C-N 3.33Å; R441-I443 PolarHBondContact O-N 3.16Å; I443-L445 VanDerWaalsContact C-N 3.33Å; I443-L445 PolarHBondContact O-N 3.31Å; I443-Q446 PolarHBondContact O-N 3.19Å; I443-L447 HydrophobicContact CG2-CD1 3.77Å; I443-L447 HydrophobicContact CG2-CG 4.32Å; I443-L447 WeakPolarHBondContact O-CG 3.35Å; I443-L447 PolarHBondContact O-N 3.39Å; I443-V508 HydrophobicContact CD1-CG1 3.87Å; I443-V508 HydrophobicContact CG2-CB 4.34Å; I443-V508 HydrophobicContact CG2-CG1 4.19Å; I443-V508 HydrophobicContact CG2-CG2 4.06Å; I443-I567 HydrophobicContact CD1-CD1 3.84Å; I443-I567 HydrophobicContact CD1-CG1 4.03Å; I443-A653 HydrophobicContact CD1-CB 4.17Å; I443-A653 HydrophobicContact CG1-CB 4.13Å; I443-V657 HydrophobicContact CG2-CG2 4.42Å
444A94.9Very high92.3Very high1 Ų118.8 Ų18.81%0.00810%0.096CC..Hα-helixtrans-59.2-44.2177.600000111.9V432 A435 G440 R441 Q446 L447 A448 V454 I456 V469V432-A444 HydrophobicContact CG2-CB 4.43Å; A435-A444 HydrophobicContact CB-CB 4.31Å; G440-A444 PolarHBondContact O-N 3.42Å; R441-A444 PolarHBondContact O-N 3.25Å; A444-Q446 PolarHBondContact O-N 2.93Å; A444-L447 PolarHBondContact O-N 3.19Å; A444-A448 WeakPolarHBondContact O-CB 3.32Å; A444-A448 PolarHBondContact O-N 3.45Å; A444-V454 HydrophobicContact CB-CG1 4.15Å; A444-I456 HydrophobicContact CB-CG2 3.61Å; A444-V469 HydrophobicContact CB-CG2 4.28Å
445L91.9Very high92.4Very high6 Ų618.1 Ų18.13%0.0319%0.088CC..Hα-helixtrans-58.6-45.2177-72.2168.5000112.2R441 I443 Q449 Y468 V469 R472 E651R441-L445 HydrophobicContact CG-CD1 4.1Å; R441-L445 VanDerWaalsContact O-CG 3.31Å; R441-L445 WeakPolarHBondContact O-CG 3.44Å; R441-L445 PolarHBondContact O-N 3.4Å; I443-L445 VanDerWaalsContact C-N 3.33Å; I443-L445 PolarHBondContact O-N 3.31Å; L445-Q449 VanDerWaalsContact O-CB 3.27Å; L445-Q449 WeakPolarHBondContact O-CB 3.47Å; L445-Q449 PolarHBondContact O-N 2.9Å; L445-Y468 HydrophobicContact CD2-CD1 4.01Å; L445-V469 HydrophobicContact CD2-CG2 3.92Å; L445-V469 HydrophobicContact CG-CG2 4.37Å; L445-R472 HydrophobicContact CD2-CG 3.83Å; L445-E651 HydrophobicContact CD1-CG 4.44Å
446Q94.5Very high92.5Very high16 Ų1618.1 Ų18.18%0.0759%0.088CC..Hα-helixtrans-72.7-37.2-178.9-71.7-61.7-52.200112.8G442 I443 A444 Q449 A450 E651 K655 V658G442-Q446 WeakPolarHBondContact O-CG 3.27Å; G442-Q446 PolarHBondContact O-N 2.88Å; G442-Q446 VanDerWaalsContact O-N 3.17Å; I443-Q446 PolarHBondContact O-N 3.19Å; A444-Q446 PolarHBondContact O-N 2.93Å; Q446-Q449 PolarHBondContact O-N 2.91Å; Q446-A450 WeakPolarHBondContact O-CB 3.32Å; Q446-A450 PolarHBondContact O-N 3.22Å; Q446-E651 HydrophobicContact CG-CB 4.06Å; Q446-E651 WeakPolarHBondContact CG-O 3.43Å; Q446-E651 PolarHBondContact NE2-OE2 2.88Å; Q446-K655 HydrophobicContact CG-CG 4.05Å; Q446-K655 VanDerWaalsContact OE1-CG 3.3Å; Q446-V658 HydrophobicContact CB-CG2 4.1Å; Q446-V658 WeakPolarHBondContact O-CG2 3.38Å
447L95.7Very high93Very high0 Ų016.3 Ų16.30%08%0.075CC..Hα-helixtrans-63-44.6174.1-73.8170.5000111.5L425 A430 V432 I443 A444 A450 G451 A452 V454 I506 V657 V658L425-L447 HydrophobicContact CD1-CD2 3.5Å; L425-L447 VanDerWaalsContact CD1-CD2 3.5Å; A430-L447 HydrophobicContact CB-CD1 3.93Å; V432-L447 HydrophobicContact CG2-CD1 3.56Å; I443-L447 HydrophobicContact CG2-CD1 3.77Å; I443-L447 HydrophobicContact CG2-CG 4.32Å; I443-L447 WeakPolarHBondContact O-CG 3.35Å; I443-L447 PolarHBondContact O-N 3.39Å; A444-L447 PolarHBondContact O-N 3.19Å; L447-A450 PolarHBondContact O-N 3.25Å; L447-G451 PolarHBondContact O-N 2.89Å; L447-A452 HydrophobicContact CB-CB 4.42Å; L447-A452 WeakPolarHBondContact O-CB 3.33Å; L447-A452 PolarHBondContact O-N 2.87Å; L447-A452 VanDerWaalsContact O-N 3.11Å; L447-V454 HydrophobicContact CB-CG2 3.78Å; L447-I506 HydrophobicContact CD2-CD1 4.05Å; L447-V657 HydrophobicContact CD2-CG1 4.03Å; L447-V658 HydrophobicContact CD2-CG2 4.12Å
448A91.9Very high92.6Very high0 Ų010.7 Ų10.70%06%0.058CC..Hα-helixtrans-66.3-40175.500000111.6A444 A450 G451 V454 V469 R472 G473 G474A444-A448 WeakPolarHBondContact O-CB 3.32Å; A444-A448 PolarHBondContact O-N 3.45Å; A448-A450 PolarHBondContact O-N 2.75Å; A448-G451 WeakPolarHBondContact O-CA 3.33Å; A448-G451 PolarHBondContact O-N 2.93Å; A448-V454 HydrophobicContact CB-CG2 4.06Å; A448-V469 HydrophobicContact CB-CG1 3.31Å; A448-V469 VanDerWaalsContact CB-O 3.27Å; A448-V469 WeakPolarHBondContact CB-O 3.43Å; A448-R472 HydrophobicContact CB-CB 4.43Å; A448-G473 CarbonylContact O-C 3.14Å; A448-G474 VanDerWaalsContact O-CA 3.3Å; A448-G474 WeakPolarHBondContact O-CA 3.5Å; A448-G474 PolarHBondContact O-N 3.15Å
449Q88.6Confident91.4Very high73 Ų7316 Ų1634%0.3418%0.084SC..Hα-helixtrans-59.2-31.7173.6-170.2166.3-2.600113.1L445 Q446 G451 R472L445-Q449 VanDerWaalsContact O-CB 3.27Å; L445-Q449 WeakPolarHBondContact O-CB 3.47Å; L445-Q449 PolarHBondContact O-N 2.9Å; Q446-Q449 PolarHBondContact O-N 2.91Å; Q449-G451 PolarHBondContact O-N 2.87Å; Q449-R472 WeakPolarHBondContact CA-O 3.13Å; Q449-R472 HydrophobicContact CB-CB 3.98Å
450A89.6Confident89.4Confident3 Ų319.3 Ų19.33%0.02511%0.108CC..THydrogen-bonded Turntrans-811.3174.100000113.7K423 M424 L425 Q446 L447 A448 V658K423-A450 CarbonylContact C-O 3.4Å; K423-A450 WeakPolarHBondContact CA-O 3.16Å; M424-A450 PolarHBondContact N-O 3.47Å; M424-A450 VanDerWaalsContact N-O 3.09Å; L425-A450 HydrophobicContact CB-CB 4.14Å; L425-A450 HydrophobicContact CD1-CB 3.92Å; L425-A450 HydrophobicContact CG-CB 3.93Å; L425-A450 PolarHBondContact N-O 2.67Å; Q446-A450 WeakPolarHBondContact O-CB 3.32Å; Q446-A450 PolarHBondContact O-N 3.22Å; L447-A450 PolarHBondContact O-N 3.25Å; A448-A450 PolarHBondContact O-N 2.75Å; A450-V658 HydrophobicContact CB-CB 4.44Å; A450-V658 HydrophobicContact CB-CG1 3.58Å; A450-V658 HydrophobicContact CB-CG2 3.92Å
451G88.9Confident87.4Confident8 Ų821 Ų218%0.08212%0.121CC..THydrogen-bonded Turntrans90.112175.100000115.8N426 L447 A448 Q449N426-G451 WeakPolarHBondContact CA-O 3.32Å; L447-G451 PolarHBondContact O-N 2.89Å; A448-G451 WeakPolarHBondContact O-CA 3.33Å; A448-G451 PolarHBondContact O-N 2.93Å; Q449-G451 PolarHBondContact O-N 2.87Å
452A93.7Very high85.8Confident1 Ų122.7 Ų22.71%0.00813%0.134CC..  trans-71.9156.6177.400000112.6L425 K428 L447 V454 G474 K475L425-A452 HydrophobicContact CB-CB 3.93Å; L425-A452 HydrophobicContact CD1-CB 4.45Å; L425-A452 WeakPolarHBondContact O-CA 3.48Å; K428-A452 WeakPolarHBondContact O-CA 3.48Å; L447-A452 HydrophobicContact CB-CB 4.42Å; L447-A452 WeakPolarHBondContact O-CB 3.33Å; L447-A452 PolarHBondContact O-N 2.87Å; L447-A452 VanDerWaalsContact O-N 3.11Å; A452-V454 HydrophobicContact CB-CG2 4.03Å; A452-G474 WeakPolarHBondContact O-CA 3.43Å; A452-K475 PolarHBondContact O-N 3.02Å
453T95.8Very high84.3Confident17 Ų1728.5 Ų28.510%0.10417%0.165CC..EExtended strand (participates in β ladder)trans-82.2119158.3-60.30000107.8K428 V429 A430 Y455 K475 F477K428-T453 PolarHBondContact O-N 3.11Å; V429-T453 WeakPolarHBondContact CA-O 3.39Å; A430-T453 PolarHBondContact N-O 2.93Å; T453-Y455 HydrophobicContact CG2-CE2 4.05Å; T453-K475 HydrophobicContact CG2-CB 4.13Å; T453-F477 HydrophobicContact CG2-CD2 4.03Å; T453-F477 HydrophobicContact CG2-CE2 3.73Å
454V96.1Very high82.7Confident0 Ų029.7 Ų29.70%017%0.173CC..EExtended strand (participates in β ladder)trans-117.2112.9-170.9-169.80000111.1A430 V432 A444 L447 A448 A452 I456 K475 C476 F477A430-V454 CarbonylContact O-C 3.57Å; A430-V454 WeakPolarHBondContact O-CA 3.16Å; V432-V454 HydrophobicContact CG2-CG1 4.09Å; A444-V454 HydrophobicContact CB-CG1 4.15Å; L447-V454 HydrophobicContact CB-CG2 3.78Å; A448-V454 HydrophobicContact CB-CG2 4.06Å; A452-V454 HydrophobicContact CB-CG2 4.03Å; V454-I456 HydrophobicContact CG1-CG2 3.89Å; V454-K475 PolarHBondContact N-O 2.89Å; V454-C476 VanDerWaalsContact O-CA 3.23Å; V454-C476 WeakPolarHBondContact O-CA 3.39Å; V454-C476 PolarHBondContact O-SG 3.32Å; V454-C476 VanDerWaalsContact O-SG 3.39Å; V454-F477 PolarHBondContact O-N 3.48Å
455Y96.4Very high81.5Confident2 Ų230.4 Ų30.41%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-83.4128.4164.4-70.9-92.1000109.3V429 A430 L431 V432 T453 F477 I479 I496 N499 E500V429-Y455 HydrophobicContact CG1-CD2 4.07Å; V429-Y455 HydrophobicContact CG1-CE2 4.03Å; A430-Y455 PolarHBondContact O-N 2.89Å; L431-Y455 WeakPolarHBondContact CA-O 3.47Å; V432-Y455 PolarHBondContact N-O 3Å; T453-Y455 HydrophobicContact CG2-CE2 4.05Å; Y455-F477 CarbonylContact C-O 3.57Å; Y455-F477 WeakPolarHBondContact CA-O 3.45Å; Y455-F477 HydrophobicContact CD1-CB 3.75Å; Y455-F477 HydrophobicContact CD1-CD2 4.46Å; Y455-F477 HydrophobicContact CE1-CB 3.71Å; Y455-F477 AromaticContact CE1-CD2 3.93Å; Y455-F477 HydrophobicContact CE1-CD2 3.93Å; Y455-F477 HydrophobicContact CE1-CG 4.05Å; Y455-F477 HydrophobicContact CE2-CD2 4.14Å; Y455-F477 AromaticContact CZ-CD2 3.75Å; Y455-I479 HydrophobicContact CD1-CD1 3.56Å; Y455-I479 HydrophobicContact CD1-CG1 4.28Å; Y455-I479 HydrophobicContact CE1-CD1 3.94Å; Y455-I496 HydrophobicContact CD1-CD1 4.35Å; Y455-I496 HydrophobicContact CD1-CG1 3.77Å; Y455-I496 HydrophobicContact CD2-CD1 4.48Å; Y455-I496 HydrophobicContact CD2-CG1 4.15Å; Y455-I496 HydrophobicContact CD2-CG2 4.31Å; Y455-I496 HydrophobicContact CE1-CG1 4.07Å; Y455-I496 HydrophobicContact CE2-CG1 4.45Å; Y455-I496 HydrophobicContact CE2-CG2 4.28Å; Y455-I496 HydrophobicContact CG-CD1 4.02Å; Y455-I496 HydrophobicContact CG-CG1 3.8Å; Y455-N499 VanDerWaalsContact OH-CB 3.24Å; Y455-N499 WeakPolarHBondContact OH-CB 3.48Å; Y455-E500 HydrophobicContact CE2-CG 3.69Å; Y455-E500 WeakPolarHBondContact CE2-OE1 3.46Å; Y455-E500 PolarHBondContact OH-OE1 3.24Å
456I94.7Very high80.8Confident2 Ų231.6 Ų31.61%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-118.5142177.258.8172.6000110A435 A444 V454 L465 I466 F477 A478 I479A435-I456 HydrophobicContact CB-CB 3.77Å; A435-I456 HydrophobicContact CB-CG2 3.7Å; A444-I456 HydrophobicContact CB-CG2 3.61Å; V454-I456 HydrophobicContact CG1-CG2 3.89Å; I456-L465 HydrophobicContact CD1-CD2 3.74Å; I456-L465 HydrophobicContact CD1-CG 3.96Å; I456-I466 HydrophobicContact CD1-CG1 4.49Å; I456-F477 PolarHBondContact N-O 3.48Å; I456-A478 HydrophobicContact CD1-CB 4.19Å; I456-A478 HydrophobicContact CG1-CB 3.85Å; I456-A478 WeakPolarHBondContact O-CA 3.41Å; I456-I479 PolarHBondContact O-N 3.27Å
457T94Very high79.6Confident3 Ų333.9 Ų33.92%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-124.9152.417458.60000111.9L431 V432 T433 G434 A435 I479 C481 H483 L492L431-T457 HydrophobicContact CD1-CG2 4.03Å; V432-T457 PolarHBondContact O-N 3.43Å; T433-T457 WeakPolarHBondContact CA-OG1 3.36Å; G434-T457 CarbonylContact C-O 3.47Å; G434-T457 VanDerWaalsContact CA-O 3.24Å; G434-T457 WeakPolarHBondContact CA-O 3.4Å; G434-T457 PolarHBondContact N-O 2.92Å; G434-T457 VanDerWaalsContact N-O 3.08Å; G434-T457 PolarHBondContact N-OG1 3.44Å; A435-T457 PolarHBondContact N-O 2.91Å; T457-I479 WeakPolarHBondContact CA-O 3.36Å; T457-I479 HydrophobicContact CG2-CB 4.48Å; T457-I479 WeakPolarHBondContact CG2-O 3.18Å; T457-C481 HydrophobicContact CG2-CB 3.89Å; T457-H483 PolarHBondContact OG1-NE2 2.92Å; T457-L492 HydrophobicContact CG2-CD1 3.49Å; T457-L492 VanDerWaalsContact CG2-CD1 3.49Å; T457-L492 HydrophobicContact CG2-CD2 3.64Å; T457-L492 HydrophobicContact CG2-CG 4.2Å
458G78.6Confident78.5Confident13 Ų1335.7 Ų35.713%0.13421%0.208CC..EExtended strand (participates in β ladder)trans167.7179.8177.100000111.8
459I63.5Low77.6Confident116 Ų11635.7 Ų35.760%0.59521%0.208SC*.SBendtrans-55141.5165.9-47.8175.9000107.4A461I459-A461 PolarHBondContact O-N 3.03Å; I459-A461 VanDerWaalsContact O-N 3.16Å
460P53.5Low77Confident100 Ų10036.4 Ų36.465%0.64921%0.211SC*.SBendtrans-38.9116.5-155-33.435.7000113.2D462 Y480P460-D462 PolarHBondContact O-N 3.4Å; P460-Y480 HydrophobicContact CG-CD2 4.2Å; P460-Y480 HydrophobicContact CG-CE2 4.44Å
461A51.8Low76.1Confident34 Ų3437.9 Ų37.928%0.28122%0.223SC..  trans-64122.8-179.400000108.4I459 D463 A478I459-A461 PolarHBondContact O-N 3.03Å; I459-A461 VanDerWaalsContact O-N 3.16Å; A461-D463 PolarHBondContact O-N 3.02Å; A461-A478 HydrophobicContact CB-CB 3.53Å
462D57.5Low75.5Confident81 Ų8139.1 Ų39.143%0.43323%0.225SC..  trans-58.2130.9164.1-177.6-8.7000107.5R337 P460 C464 L465R337-D462 IonicContact NH1-OD1 2.89Å; R337-D462 IonicContact NH1-OD2 2.66Å; P460-D462 PolarHBondContact O-N 3.4Å; D462-C464 HydrophobicContact CB-CB 4.4Å; D462-C464 PolarHBondContact O-N 3.25Å; D462-C464 WeakPolarHBondContact OD1-CB 3.39Å; D462-C464 PolarHBondContact OD1-N 2.63Å; D462-L465 PolarHBondContact O-N 2.66Å
463D62.6Low74.4Confident122 Ų12241.5 Ų41.565%0.65225%0.25SC*.Hα-helixtrans-49.6-25.1174.5-75.9-35.9000111.6A461 L465 I466 S467A461-D463 PolarHBondContact O-N 3.02Å; D463-L465 PolarHBondContact O-N 3.17Å; D463-I466 PolarHBondContact O-N 3.18Å; D463-S467 WeakPolarHBondContact O-CB 3.16Å; D463-S467 PolarHBondContact O-N 3.35Å; D463-S467 PolarHBondContact O-OG 3.07Å
464C63Low73.4Confident26 Ų2641.3 Ų41.318%0.17625%0.251CS..Hα-helixtrans-58.4-39.8172-120.20000113.7R337 D462 S467 Y468R337-C464 PolarHBondContact NH1-SG 2.81Å; D462-C464 HydrophobicContact CB-CB 4.4Å; D462-C464 PolarHBondContact O-N 3.25Å; D462-C464 WeakPolarHBondContact OD1-CB 3.39Å; D462-C464 PolarHBondContact OD1-N 2.63Å; C464-S467 WeakPolarHBondContact O-CB 3.42Å; C464-S467 PolarHBondContact O-N 3.28Å; C464-Y468 WeakPolarHBondContact O-CB 3.3Å; C464-Y468 PolarHBondContact O-N 3.42Å
465L69.5Low73Confident16 Ų1647.6 Ų47.68%0.08428%0.278CS..Hα-helixtrans-68.5-43.8179.7176.161.7000111.5A435 R441 I456 D462 D463 S467 Y468 V469A435-L465 WeakPolarHBondContact O-CD2 3.47Å; R441-L465 HydrophobicContact CG-CD1 3.82Å; I456-L465 HydrophobicContact CD1-CD2 3.74Å; I456-L465 HydrophobicContact CD1-CG 3.96Å; D462-L465 PolarHBondContact O-N 2.66Å; D463-L465 PolarHBondContact O-N 3.17Å; L465-S467 VanDerWaalsContact C-N 3.27Å; L465-S467 PolarHBondContact O-N 2.85Å; L465-Y468 PolarHBondContact O-N 2.89Å; L465-V469 HydrophobicContact CD1-CG2 3.97Å; L465-V469 HydrophobicContact CG-CG2 4.39Å; L465-V469 VanDerWaalsContact O-CG2 3.31Å; L465-V469 WeakPolarHBondContact O-CG2 3.48Å; L465-V469 PolarHBondContact O-N 2.96Å
466I76.8Confident72.7Confident30 Ų3047.5 Ų47.515%0.15428%0.278CS..Hα-helixtrans-56.8-49176-63.1169.1000108.9I456 D463 Y468 V469 Q470 C476 A478I456-I466 HydrophobicContact CD1-CG1 4.49Å; D463-I466 PolarHBondContact O-N 3.18Å; I466-Y468 VanDerWaalsContact C-N 3.33Å; I466-Y468 PolarHBondContact O-N 3.19Å; I466-V469 PolarHBondContact O-N 3.34Å; I466-Q470 HydrophobicContact CG2-CG 4.27Å; I466-Q470 WeakPolarHBondContact O-CB 3.49Å; I466-Q470 VanDerWaalsContact O-CG 3.28Å; I466-Q470 WeakPolarHBondContact O-CG 3.31Å; I466-Q470 PolarHBondContact O-N 2.65Å; I466-C476 HydrophobicContact CG2-CB 4.37Å; I466-A478 HydrophobicContact CD1-CB 3.64Å; I466-A478 HydrophobicContact CG1-CB 3.85Å
467S70.5Confident72.5Confident65 Ų6551.6 Ų51.646%0.45530%0.296SS..Hα-helixtrans-58.3-44.3177.7-53.70000111.6D463 C464 L465 V469 Q470 A471D463-S467 WeakPolarHBondContact O-CB 3.16Å; D463-S467 PolarHBondContact O-N 3.35Å; D463-S467 PolarHBondContact O-OG 3.07Å; C464-S467 WeakPolarHBondContact O-CB 3.42Å; C464-S467 PolarHBondContact O-N 3.28Å; L465-S467 VanDerWaalsContact C-N 3.27Å; L465-S467 PolarHBondContact O-N 2.85Å; S467-V469 PolarHBondContact O-N 2.89Å; S467-Q470 PolarHBondContact O-N 2.68Å; S467-A471 VanDerWaalsContact O-CB 3.3Å; S467-A471 WeakPolarHBondContact O-CB 3.03Å; S467-A471 PolarHBondContact O-N 3.41Å
468Y71Confident72.3Confident38 Ų3853.2 Ų53.215%0.14931%0.31CS..Hα-helixtrans-63.6-41.4178.5-130.1-92.9000112.8L342 L445 C464 L465 I466L342-Y468 WeakPolarHBondContact O-CE2 3.34Å; L445-Y468 HydrophobicContact CD2-CD1 4.01Å; C464-Y468 WeakPolarHBondContact O-CB 3.3Å; C464-Y468 PolarHBondContact O-N 3.42Å; L465-Y468 PolarHBondContact O-N 2.89Å; I466-Y468 VanDerWaalsContact C-N 3.33Å; I466-Y468 PolarHBondContact O-N 3.19Å
469V73.5Confident72.9Confident0 Ų053.5 Ų53.50%031%0.308CS..Hα-helixtrans-70.9-42.4178.5178.40000110.4A444 L445 A448 L465 I466 S467 A471 R472 C476A444-V469 HydrophobicContact CB-CG2 4.28Å; L445-V469 HydrophobicContact CD2-CG2 3.92Å; L445-V469 HydrophobicContact CG-CG2 4.37Å; A448-V469 HydrophobicContact CB-CG1 3.31Å; A448-V469 VanDerWaalsContact CB-O 3.27Å; A448-V469 WeakPolarHBondContact CB-O 3.43Å; L465-V469 HydrophobicContact CD1-CG2 3.97Å; L465-V469 HydrophobicContact CG-CG2 4.39Å; L465-V469 VanDerWaalsContact O-CG2 3.31Å; L465-V469 WeakPolarHBondContact O-CG2 3.48Å; L465-V469 PolarHBondContact O-N 2.96Å; I466-V469 PolarHBondContact O-N 3.34Å; S467-V469 PolarHBondContact O-N 2.89Å; V469-A471 VanDerWaalsContact C-N 3.34Å; V469-A471 PolarHBondContact O-N 3.18Å; V469-R472 WeakPolarHBondContact O-CB 3.29Å; V469-R472 PolarHBondContact O-N 3.5Å; V469-C476 HydrophobicContact CB-CB 3.86Å; V469-C476 HydrophobicContact CG1-CB 3.62Å
470Q76.6Confident74.2Confident88 Ų8854.8 Ų54.841%0.41131%0.306SS..Hα-helixtrans-63.4-39.3175.8-72.5178.9-700112.1I466 S467 R472 G473 C476I466-Q470 HydrophobicContact CG2-CG 4.27Å; I466-Q470 WeakPolarHBondContact O-CB 3.49Å; I466-Q470 VanDerWaalsContact O-CG 3.28Å; I466-Q470 WeakPolarHBondContact O-CG 3.31Å; I466-Q470 PolarHBondContact O-N 2.65Å; S467-Q470 PolarHBondContact O-N 2.68Å; Q470-R472 PolarHBondContact O-N 3.45Å; Q470-R472 VanDerWaalsContact O-N 3.15Å; Q470-G473 PolarHBondContact O-N 3.47Å; Q470-C476 HydrophobicContact CG-CB 3.79Å; Q470-C476 PolarHBondContact NE2-O 3.34Å
471A71.2Confident76Confident33 Ų3350.2 Ų50.227%0.27328%0.277SS..Hα-helixtrans-55.8-33176.300000112.1H167 S467 V469 G473H167-A471 HydrophobicContact CB-CB 4Å; H167-A471 PolarHBondContact CE1-O 2.71Å; H167-A471 PolarHBondContact ND1-O 3.19Å; S467-A471 VanDerWaalsContact O-CB 3.3Å; S467-A471 WeakPolarHBondContact O-CB 3.03Å; S467-A471 PolarHBondContact O-N 3.41Å; V469-A471 VanDerWaalsContact C-N 3.34Å; V469-A471 PolarHBondContact O-N 3.18Å; A471-G473 PolarHBondContact O-N 3.3Å; A471-G473 VanDerWaalsContact O-N 3.13Å
472R75.9Confident78Confident35 Ų3551.1 Ų51.113%0.13228%0.277CS..THydrogen-bonded Turntrans-65.5-14.7177.2-63.3-64.5-173.696.12.6114.2L445 A448 Q449 V469 Q470 E651L445-R472 HydrophobicContact CD2-CG 3.83Å; A448-R472 HydrophobicContact CB-CB 4.43Å; Q449-R472 WeakPolarHBondContact CA-O 3.13Å; Q449-R472 HydrophobicContact CB-CB 3.98Å; V469-R472 WeakPolarHBondContact O-CB 3.29Å; V469-R472 PolarHBondContact O-N 3.5Å; Q470-R472 PolarHBondContact O-N 3.45Å; Q470-R472 VanDerWaalsContact O-N 3.15Å; R472-E651 IonicContact CZ-OE1 3Å; R472-E651 IonicContact CZ-OE2 2.62Å; R472-E651 IonicContact NH1-OE1 2.7Å; R472-E651 IonicContact NH1-OE2 3.18Å; R472-E651 PolarHBondContact NH1-OE2 3.27Å; R472-E651 IonicContact NH2-OE1 3.98Å; R472-E651 PolarHBondContact NH2-OE1 3.34Å; R472-E651 IonicContact NH2-OE2 3.91Å; R472-E651 PolarHBondContact NH2-OE2 3.25Å
473G69.9Low79.8Confident51 Ų5147.8 Ų47.853%0.52626%0.259SS..THydrogen-bonded Turntrans120-4.8170.300000115.9A448 Q470 A471A448-G473 CarbonylContact O-C 3.14Å; Q470-G473 PolarHBondContact O-N 3.47Å; A471-G473 PolarHBondContact O-N 3.3Å; A471-G473 VanDerWaalsContact O-N 3.13Å
474G74.3Confident81.3Confident12 Ų1243.9 Ų43.912%0.12424%0.241CC..SBendtrans-98-179.417600000112.7A448 A452A448-G474 VanDerWaalsContact O-CA 3.3Å; A448-G474 WeakPolarHBondContact O-CA 3.5Å; A448-G474 PolarHBondContact O-N 3.15Å; A452-G474 WeakPolarHBondContact O-CA 3.43Å
475K87.8Confident82.8Confident132 Ų13249 Ų4957%0.57426%0.256SS*.EExtended strand (participates in β ladder)trans-94145.1166.7-65.3-179.6-177.7179.50108.7A452 T453 V454 F477A452-K475 PolarHBondContact O-N 3.02Å; T453-K475 HydrophobicContact CG2-CB 4.13Å; V454-K475 PolarHBondContact N-O 2.89Å; K475-F477 HydrophobicContact CB-CE2 4.26Å
476C89.8Confident84.1Confident1 Ų150.4 Ų50.41%0.00726%0.264CS..EExtended strand (participates in β ladder)trans-135.5138.2174.1-1680000111.3V454 I466 V469 Q470V454-C476 VanDerWaalsContact O-CA 3.23Å; V454-C476 WeakPolarHBondContact O-CA 3.39Å; V454-C476 PolarHBondContact O-SG 3.32Å; V454-C476 VanDerWaalsContact O-SG 3.39Å; I466-C476 HydrophobicContact CG2-CB 4.37Å; V469-C476 HydrophobicContact CB-CB 3.86Å; V469-C476 HydrophobicContact CG1-CB 3.62Å; Q470-C476 HydrophobicContact CG-CB 3.79Å; Q470-C476 PolarHBondContact NE2-O 3.34Å
477F91.7Very high85.1Confident87 Ų8755 Ų5538%0.38229%0.285SS..EExtended strand (participates in β ladder)trans-131.7127.8175-57.9-76.7000108.8T453 V454 Y455 I456 K475T453-F477 HydrophobicContact CG2-CD2 4.03Å; T453-F477 HydrophobicContact CG2-CE2 3.73Å; V454-F477 PolarHBondContact O-N 3.48Å; Y455-F477 CarbonylContact C-O 3.57Å; Y455-F477 WeakPolarHBondContact CA-O 3.45Å; Y455-F477 HydrophobicContact CD1-CB 3.75Å; Y455-F477 HydrophobicContact CD1-CD2 4.46Å; Y455-F477 HydrophobicContact CE1-CB 3.71Å; Y455-F477 AromaticContact CE1-CD2 3.93Å; Y455-F477 HydrophobicContact CE1-CD2 3.93Å; Y455-F477 HydrophobicContact CE1-CG 4.05Å; Y455-F477 HydrophobicContact CE2-CD2 4.14Å; Y455-F477 AromaticContact CZ-CD2 3.75Å; I456-F477 PolarHBondContact N-O 3.48Å; K475-F477 HydrophobicContact CB-CE2 4.26Å
478A89.9Confident86.4Confident38 Ų3853.6 Ų53.631%0.31427%0.272SS..EExtended strand (participates in β ladder)trans-94.9134.5173.100000110.6I456 A461 I466I456-A478 HydrophobicContact CD1-CB 4.19Å; I456-A478 HydrophobicContact CG1-CB 3.85Å; I456-A478 WeakPolarHBondContact O-CA 3.41Å; A461-A478 HydrophobicContact CB-CB 3.53Å; I466-A478 HydrophobicContact CD1-CB 3.64Å; I466-A478 HydrophobicContact CG1-CB 3.85Å
479I91Very high87.6Confident19 Ų1951.8 Ų51.810%0.09727%0.265CS..EExtended strand (participates in β ladder)trans-125.2125.2172.9-61.8172.9000107.3Y455 I456 T457 C481 L492 Q495 I496Y455-I479 HydrophobicContact CD1-CD1 3.56Å; Y455-I479 HydrophobicContact CD1-CG1 4.28Å; Y455-I479 HydrophobicContact CE1-CD1 3.94Å; I456-I479 PolarHBondContact O-N 3.27Å; T457-I479 WeakPolarHBondContact CA-O 3.36Å; T457-I479 HydrophobicContact CG2-CB 4.48Å; T457-I479 WeakPolarHBondContact CG2-O 3.18Å; I479-C481 PolarHBondContact O-N 3.23Å; I479-L492 HydrophobicContact CB-CD1 3.75Å; I479-L492 HydrophobicContact CD1-CD1 3.73Å; I479-L492 HydrophobicContact CG1-CD1 4.32Å; I479-L492 HydrophobicContact CG2-CD1 3.67Å; I479-Q495 HydrophobicContact CD1-CB 4.43Å; I479-Q495 HydrophobicContact CD1-CG 4.32Å; I479-I496 HydrophobicContact CD1-CG1 4.22Å
480Y90Very high88.8Confident142 Ų14258 Ų5856%0.55729%0.289SS*.EExtended strand (participates in β ladder)trans-65.8129.5170.3176.4-93.7000109P460P460-Y480 HydrophobicContact CG-CD2 4.2Å; P460-Y480 HydrophobicContact CG-CE2 4.44Å
481C92.4Very high89.8Confident5 Ų556.4 Ų56.43%0.03429%0.291CS..  trans-150.7117.2177.81790000108.4T457 I479 H483 L492T457-C481 HydrophobicContact CG2-CB 3.89Å; I479-C481 PolarHBondContact O-N 3.23Å; C481-H483 PolarHBondContact O-CD2 3.5Å; C481-H483 PolarHBondContact O-N 3.44Å; C481-L492 HydrophobicContact CB-CD2 4.31Å
482D92.9Very high91Very high53 Ų5354.9 Ų54.928%0.28328%0.278SS..  trans-78.9103.3165.8-175-9.9000109.2S484 R485 D488D482-S484 PolarHBondContact O-N 2.94Å; D482-S484 VanDerWaalsContact OD1-CB 3.3Å; D482-S484 WeakPolarHBondContact OD1-CB 3.46Å; D482-S484 PolarHBondContact OD1-N 3.35Å; D482-S484 PolarHBondContact OD1-OG 3.47Å; D482-S484 PolarHBondContact OD2-OG 3.15Å; D482-R485 HydrophobicContact CB-CG 4.36Å; D482-R485 PolarHBondContact O-N 3.39Å; D482-D488 WeakPolarHBondContact CB-OD2 3.45Å; D482-D488 PolarHBondContact N-OD2 3.39Å
483H94.8Very high92.1Very high10 Ų1053.4 Ų53.45%0.04627%0.272CS..THydrogen-bonded Turntrans-68.3-1.4-179.1-76.3-83.3000114.4T433 T457 C481 R485 A511 V540T433-H483 VanDerWaalsContact CG2-CE1 3.42Å; T433-H483 WeakPolarHBondContact CG2-CE1 3.18Å; T457-H483 PolarHBondContact OG1-NE2 2.92Å; C481-H483 PolarHBondContact O-CD2 3.5Å; C481-H483 PolarHBondContact O-N 3.44Å; H483-R485 VanDerWaalsContact C-N 3.35Å; H483-A511 HydrophobicContact CB-CB 4.35Å; H483-V540 HydrophobicContact CB-CG1 3.79Å; H483-V540 HydrophobicContact CB-CG2 4.44Å
484S94.1Very high93.5Very high41 Ų4155.3 Ų55.329%0.28727%0.271SS..THydrogen-bonded Turntrans-85.4-8.9169.674.80000113.3D482D482-S484 PolarHBondContact O-N 2.94Å; D482-S484 VanDerWaalsContact OD1-CB 3.3Å; D482-S484 WeakPolarHBondContact OD1-CB 3.46Å; D482-S484 PolarHBondContact OD1-N 3.35Å; D482-S484 PolarHBondContact OD1-OG 3.47Å; D482-S484 PolarHBondContact OD2-OG 3.15Å
485R95.1Very high94.6Very high132 Ų13259 Ų5950%0.49829%0.285SS..  trans-118.7121.5-175-60.2-179.665.5179.5-3.8111.4D482 H483 E487 D488 I489D482-R485 HydrophobicContact CB-CG 4.36Å; D482-R485 PolarHBondContact O-N 3.39Å; H483-R485 VanDerWaalsContact C-N 3.35Å; R485-E487 VanDerWaalsContact C-N 3.28Å; R485-E487 PolarHBondContact O-N 3.11Å; R485-D488 HydrophobicContact CB-CB 4.2Å; R485-D488 IonicContact NE-OD1 3.47Å; R485-D488 PolarHBondContact O-N 2.91Å; R485-I489 PolarHBondContact O-N 3.01Å
486D97.4Very high95.1Very high47 Ų4752.7 Ų52.725%0.25126%0.257SS..Hα-helixtrans-65-32.6-176.9-75.49.3000113I489 R490 R543D486-I489 PolarHBondContact O-N 2.65Å; D486-R490 PolarHBondContact O-N 2.87Å; D486-R543 IonicContact OD1-CZ 3.32Å; D486-R543 IonicContact OD1-NH1 2.99Å; D486-R543 PolarHBondContact OD1-NH1 3.45Å; D486-R543 IonicContact OD1-NH2 3.6Å; D486-R543 IonicContact OD2-CZ 2.68Å; D486-R543 IonicContact OD2-NH1 3.58Å; D486-R543 PolarHBondContact OD2-NH1 2.53Å; D486-R543 IonicContact OD2-NH2 3.83Å; D486-R543 PolarHBondContact OD2-NH2 3.05Å
487E97.8Very high95.4Very high126 Ų12654.9 Ų54.959%0.58927%0.272SS*.Hα-helixtrans-67.3-40.4178.4-65.572-152.600112.1R485 R490 A491R485-E487 VanDerWaalsContact C-N 3.28Å; R485-E487 PolarHBondContact O-N 3.11Å; E487-R490 WeakPolarHBondContact O-CB 3.46Å; E487-R490 PolarHBondContact O-N 3.22Å; E487-A491 WeakPolarHBondContact O-CB 3.06Å; E487-A491 PolarHBondContact O-N 3.27Å
488D96.4Very high95.7Very high35 Ų3558.3 Ų58.319%0.18729%0.29CS..Hα-helixtrans-64.5-42.8176.2-76.834000110.4D482 R485 R490 A491 L492D482-D488 WeakPolarHBondContact CB-OD2 3.45Å; D482-D488 PolarHBondContact N-OD2 3.39Å; R485-D488 HydrophobicContact CB-CB 4.2Å; R485-D488 IonicContact NE-OD1 3.47Å; R485-D488 PolarHBondContact O-N 2.91Å; D488-R490 PolarHBondContact O-N 3.34Å; D488-A491 PolarHBondContact O-N 3.11Å; D488-L492 WeakPolarHBondContact O-CB 3.38Å; D488-L492 PolarHBondContact O-N 3.18Å
489I97.6Very high96Very high0 Ų060.8 Ų60.80%030%0.297CS..Hα-helixtrans-62.7-43.8175.1-60.6170.8000110R485 D486 A491 L492 F493 V547 Y551R485-I489 PolarHBondContact O-N 3.01Å; D486-I489 PolarHBondContact O-N 2.65Å; I489-A491 PolarHBondContact O-N 2.95Å; I489-L492 WeakPolarHBondContact O-CB 3.5Å; I489-L492 PolarHBondContact O-N 3.44Å; I489-F493 HydrophobicContact CG2-CD2 3.92Å; I489-F493 HydrophobicContact CG2-CE2 3.85Å; I489-F493 VanDerWaalsContact O-CD2 3.29Å; I489-F493 WeakPolarHBondContact O-CD2 3.34Å; I489-F493 PolarHBondContact O-N 3.31Å; I489-V547 HydrophobicContact CB-CG1 4.01Å; I489-V547 HydrophobicContact CD1-CB 3.94Å; I489-V547 HydrophobicContact CD1-CG1 3.98Å; I489-V547 HydrophobicContact CG2-CB 4.36Å; I489-V547 HydrophobicContact CG2-CG1 3.71Å; I489-Y551 HydrophobicContact CG2-CD2 4.21Å
490R98.2Very high96.3Very high131 Ų13162 Ų6249%0.49430%0.303SS..Hα-helixtrans-56.9-51.2174.8176.7-178.6-71.8168.60.3111.1D486 E487 D488 L492 F493 D494 Y551D486-R490 PolarHBondContact O-N 2.87Å; E487-R490 WeakPolarHBondContact O-CB 3.46Å; E487-R490 PolarHBondContact O-N 3.22Å; D488-R490 PolarHBondContact O-N 3.34Å; R490-L492 VanDerWaalsContact C-N 3.28Å; R490-L492 PolarHBondContact O-N 3.3Å; R490-F493 PolarHBondContact O-N 3.24Å; R490-F493 VanDerWaalsContact O-N 3.11Å; R490-D494 WeakPolarHBondContact CG-OD2 3.37Å; R490-D494 PolarHBondContact O-N 3.06Å; R490-Y551 HydrophobicContact CB-CE1 4.36Å; R490-Y551 HydrophobicContact CB-CE2 4.2Å; R490-Y551 HydrophobicContact CG-CE1 4.14Å; R490-Y551 PolarHBondContact NE-OH 3.07Å; R490-Y551 PolarHBondContact NH2-OH 3.05Å
491A97.7Very high96.5Very high54 Ų5464.5 Ų64.545%0.44632%0.319SS..Hα-helixtrans-59.3-39.3-178.200000112.2E487 D488 I489 F493 D494 Q495E487-A491 WeakPolarHBondContact O-CB 3.06Å; E487-A491 PolarHBondContact O-N 3.27Å; D488-A491 PolarHBondContact O-N 3.11Å; I489-A491 PolarHBondContact O-N 2.95Å; A491-F493 PolarHBondContact O-N 2.76Å; A491-D494 PolarHBondContact O-N 2.93Å; A491-Q495 WeakPolarHBondContact O-CB 3.18Å; A491-Q495 PolarHBondContact O-N 2.9Å
492L97.3Very high96.6Very high1 Ų165.3 Ų65.31%0.00533%0.329CS..Hα-helixtrans-56.1-49.8173.3168.669.1000112L431 T457 I479 C481 D488 I489 R490 Q495 I496L431-L492 HydrophobicContact CD1-CD1 4.33Å; L431-L492 HydrophobicContact CD1-CD2 4.21Å; L431-L492 HydrophobicContact CD2-CD2 3.86Å; L431-L492 HydrophobicContact CD2-CG 4.36Å; T457-L492 HydrophobicContact CG2-CD1 3.49Å; T457-L492 VanDerWaalsContact CG2-CD1 3.49Å; T457-L492 HydrophobicContact CG2-CD2 3.64Å; T457-L492 HydrophobicContact CG2-CG 4.2Å; I479-L492 HydrophobicContact CB-CD1 3.75Å; I479-L492 HydrophobicContact CD1-CD1 3.73Å; I479-L492 HydrophobicContact CG1-CD1 4.32Å; I479-L492 HydrophobicContact CG2-CD1 3.67Å; C481-L492 HydrophobicContact CB-CD2 4.31Å; D488-L492 WeakPolarHBondContact O-CB 3.38Å; D488-L492 PolarHBondContact O-N 3.18Å; I489-L492 WeakPolarHBondContact O-CB 3.5Å; I489-L492 PolarHBondContact O-N 3.44Å; R490-L492 VanDerWaalsContact C-N 3.28Å; R490-L492 PolarHBondContact O-N 3.3Å; L492-Q495 PolarHBondContact O-N 3.01Å; L492-I496 HydrophobicContact CD1-CD1 3.92Å; L492-I496 HydrophobicContact CD1-CG1 4.48Å; L492-I496 HydrophobicContact CG-CD1 4.13Å; L492-I496 VanDerWaalsContact O-CG1 3.32Å; L492-I496 WeakPolarHBondContact O-CG1 3.47Å; L492-I496 PolarHBondContact O-N 2.72Å
493F98.5Very high96.8Very high4 Ų467.8 Ų67.82%0.01833%0.334CS..Hα-helixtrans-71-35.7-179-82.3-87000112.6L431 I489 R490 A491 Q495 I496 S497 L504 L507 C548 Y551 A552 M555L431-F493 HydrophobicContact CD2-CE1 4.02Å; L431-F493 HydrophobicContact CD2-CE2 4.02Å; L431-F493 HydrophobicContact CD2-CZ 3.61Å; I489-F493 HydrophobicContact CG2-CD2 3.92Å; I489-F493 HydrophobicContact CG2-CE2 3.85Å; I489-F493 VanDerWaalsContact O-CD2 3.29Å; I489-F493 WeakPolarHBondContact O-CD2 3.34Å; I489-F493 PolarHBondContact O-N 3.31Å; R490-F493 PolarHBondContact O-N 3.24Å; R490-F493 VanDerWaalsContact O-N 3.11Å; A491-F493 PolarHBondContact O-N 2.76Å; F493-Q495 VanDerWaalsContact C-N 3.33Å; F493-I496 PolarHBondContact O-N 3.5Å; F493-S497 VanDerWaalsContact O-CB 3.24Å; F493-S497 WeakPolarHBondContact O-CB 3.06Å; F493-S497 PolarHBondContact O-N 3.05Å; F493-L504 HydrophobicContact CD1-CD2 4.25Å; F493-L504 HydrophobicContact CE1-CD2 3.63Å; F493-L507 HydrophobicContact CZ-CD1 4.4Å; F493-L507 HydrophobicContact CZ-CD2 4.49Å; F493-C548 HydrophobicContact CE2-CB 4Å; F493-C548 HydrophobicContact CZ-CB 4.09Å; F493-C548 WeakPolarHBondContact CZ-O 3.41Å; F493-Y551 HydrophobicContact CB-CG 4.3Å; F493-Y551 HydrophobicContact CD2-CD2 4.31Å; F493-Y551 HydrophobicContact CD2-CG 4.16Å; F493-Y551 HydrophobicContact CG-CG 4.22Å; F493-A552 HydrophobicContact CE1-CB 3.71Å; F493-A552 VanDerWaalsContact CE1-N 3.35Å; F493-A552 HydrophobicContact CZ-CB 4.07Å; F493-M555 HydrophobicContact CD1-SD 3.89Å
494D98.2Very high97Very high92 Ų9267.3 Ų67.349%0.49233%0.332SS..Hα-helixtrans-61-45.3174-70.2-20000110.2R490 A491 S497 E498R490-D494 WeakPolarHBondContact CG-OD2 3.37Å; R490-D494 PolarHBondContact O-N 3.06Å; A491-D494 PolarHBondContact O-N 2.93Å; D494-S497 WeakPolarHBondContact O-CB 3.09Å; D494-S497 PolarHBondContact O-N 3.17Å; D494-E498 WeakPolarHBondContact O-CB 3.44Å; D494-E498 PolarHBondContact O-N 3.33Å
495Q97.7Very high97.2Very high89 Ų8965.9 Ų65.942%0.41632%0.321SS..Hα-helixtrans-64.6-42.2178.4-163.3176.317.700112.7I479 A491 L492 F493 E498 N499I479-Q495 HydrophobicContact CD1-CB 4.43Å; I479-Q495 HydrophobicContact CD1-CG 4.32Å; A491-Q495 WeakPolarHBondContact O-CB 3.18Å; A491-Q495 PolarHBondContact O-N 2.9Å; L492-Q495 PolarHBondContact O-N 3.01Å; F493-Q495 VanDerWaalsContact C-N 3.33Å; Q495-E498 PolarHBondContact O-N 3.03Å; Q495-N499 WeakPolarHBondContact O-CB 3.38Å; Q495-N499 VanDerWaalsContact O-CG 3.23Å; Q495-N499 PolarHBondContact O-N 2.87Å; Q495-N499 PolarHBondContact O-ND2 2.96Å
496I97.8Very high97.3Very high0 Ų059.8 Ų59.80%030%0.298CS..Hα-helixtrans-64.2-44.1174.5-66.2167.7000110.4V429 L431 Y455 I479 L492 F493 E498 N499 E500 L504 M555V429-I496 HydrophobicContact CG1-CG2 4.39Å; L431-I496 HydrophobicContact CB-CD1 4.28Å; L431-I496 HydrophobicContact CD1-CD1 4.05Å; L431-I496 HydrophobicContact CD2-CD1 3.88Å; L431-I496 HydrophobicContact CG-CD1 4.29Å; Y455-I496 HydrophobicContact CD1-CD1 4.35Å; Y455-I496 HydrophobicContact CD1-CG1 3.77Å; Y455-I496 HydrophobicContact CD2-CD1 4.48Å; Y455-I496 HydrophobicContact CD2-CG1 4.15Å; Y455-I496 HydrophobicContact CD2-CG2 4.31Å; Y455-I496 HydrophobicContact CE1-CG1 4.07Å; Y455-I496 HydrophobicContact CE2-CG1 4.45Å; Y455-I496 HydrophobicContact CE2-CG2 4.28Å; Y455-I496 HydrophobicContact CG-CD1 4.02Å; Y455-I496 HydrophobicContact CG-CG1 3.8Å; I479-I496 HydrophobicContact CD1-CG1 4.22Å; L492-I496 HydrophobicContact CD1-CD1 3.92Å; L492-I496 HydrophobicContact CD1-CG1 4.48Å; L492-I496 HydrophobicContact CG-CD1 4.13Å; L492-I496 VanDerWaalsContact O-CG1 3.32Å; L492-I496 WeakPolarHBondContact O-CG1 3.47Å; L492-I496 PolarHBondContact O-N 2.72Å; F493-I496 PolarHBondContact O-N 3.5Å; I496-E498 VanDerWaalsContact C-N 3.27Å; I496-E498 PolarHBondContact O-N 3.2Å; I496-N499 PolarHBondContact O-N 3.1Å; I496-E500 HydrophobicContact CG2-CG 4.39Å; I496-E500 WeakPolarHBondContact O-CB 3.43Å; I496-E500 PolarHBondContact O-N 2.95Å; I496-L504 HydrophobicContact CG2-CD1 4.41Å; I496-M555 HydrophobicContact CG2-CE 4.31Å
497S97.4Very high97.4Very high46 Ų4657.5 Ų57.532%0.32229%0.286SS..Hα-helixtrans-60.7-38.4178-176.20000111.7F493 D494 E501 G502F493-S497 VanDerWaalsContact O-CB 3.24Å; F493-S497 WeakPolarHBondContact O-CB 3.06Å; F493-S497 PolarHBondContact O-N 3.05Å; D494-S497 WeakPolarHBondContact O-CB 3.09Å; D494-S497 PolarHBondContact O-N 3.17Å; S497-E501 CarbonylContact O-C 3.54Å; S497-E501 PolarHBondContact O-N 2.86Å; S497-G502 PolarHBondContact O-N 3.09Å; S497-G502 WeakPolarHBondContact OG-CA 3.35Å
498E97.4Very high97.5Very high160 Ų16051.5 Ų51.575%0.74826%0.258SS*.Hα-helixtrans-70.5-45.6178.4-161.8170.1-157.700111.6D494 Q495 I496 E500D494-E498 WeakPolarHBondContact O-CB 3.44Å; D494-E498 PolarHBondContact O-N 3.33Å; Q495-E498 PolarHBondContact O-N 3.03Å; I496-E498 VanDerWaalsContact C-N 3.27Å; I496-E498 PolarHBondContact O-N 3.2Å; E498-E500 PolarHBondContact O-N 3.43Å
499N96.7Very high97.6Very high89 Ų8949.9 Ų49.948%0.47625%0.249SC..Hα-helixtrans-70.2-30.5-178.2-69.8-17.3000114.2Y455 Q495 I496Y455-N499 VanDerWaalsContact OH-CB 3.24Å; Y455-N499 WeakPolarHBondContact OH-CB 3.48Å; Q495-N499 WeakPolarHBondContact O-CB 3.38Å; Q495-N499 VanDerWaalsContact O-CG 3.23Å; Q495-N499 PolarHBondContact O-N 2.87Å; Q495-N499 PolarHBondContact O-ND2 2.96Å; I496-N499 PolarHBondContact O-N 3.1Å
500E96.6Very high97.5Very high44 Ų4450.9 Ų50.921%0.20626%0.255CS..THydrogen-bonded Turntrans-11621.5-172.4-54-67.5155.200112.4V429 Y455 I496 E498 G502 R503V429-E500 HydrophobicContact CG1-CB 4.4Å; V429-E500 HydrophobicContact CG1-CG 3.86Å; V429-E500 HydrophobicContact CG2-CB 4.17Å; V429-E500 HydrophobicContact CG2-CG 4.06Å; V429-E500 WeakPolarHBondContact CG2-OE2 3.25Å; Y455-E500 HydrophobicContact CE2-CG 3.69Å; Y455-E500 WeakPolarHBondContact CE2-OE1 3.46Å; Y455-E500 PolarHBondContact OH-OE1 3.24Å; I496-E500 HydrophobicContact CG2-CG 4.39Å; I496-E500 WeakPolarHBondContact O-CB 3.43Å; I496-E500 PolarHBondContact O-N 2.95Å; E498-E500 PolarHBondContact O-N 3.43Å; E500-G502 VanDerWaalsContact C-N 3.29Å; E500-G502 PolarHBondContact O-N 3.12Å; E500-R503 HydrophobicContact CB-CB 4.36Å; E500-R503 WeakPolarHBondContact O-CB 3.42Å; E500-R503 PolarHBondContact O-N 2.84Å
501E94.8Very high97.4Very high195 Ų19544.8 Ų44.891%0.91123%0.233SC*.THydrogen-bonded Turntrans54.442.1176.5-58.2177.9-169.200113.2S497 R503S497-E501 CarbonylContact O-C 3.54Å; S497-E501 PolarHBondContact O-N 2.86Å; E501-R503 VanDerWaalsContact C-N 3.29Å; E501-R503 PolarHBondContact O-N 3.05Å
502G94.6Very high97.2Very high22 Ų2245 Ų4523%0.22722%0.224CC..THydrogen-bonded Turntrans78.68.2179.600000114.6S497 E500 M555 N559S497-G502 PolarHBondContact O-N 3.09Å; S497-G502 WeakPolarHBondContact OG-CA 3.35Å; E500-G502 VanDerWaalsContact C-N 3.29Å; E500-G502 PolarHBondContact O-N 3.12Å; G502-M555 WeakPolarHBondContact O-CE 3.4Å; G502-N559 PolarHBondContact O-ND2 3.48Å
503R96.4Very high96.8Very high105 Ų10548 Ų4840%0.39624%0.244SC..  trans-90.4131.1-177.4-169.4177.5-177.814110.8112.7V429 E500 E501 D505V429-R503 HydrophobicContact CG2-CG 4.3Å; E500-R503 HydrophobicContact CB-CB 4.36Å; E500-R503 WeakPolarHBondContact O-CB 3.42Å; E500-R503 PolarHBondContact O-N 2.84Å; E501-R503 VanDerWaalsContact C-N 3.29Å; E501-R503 PolarHBondContact O-N 3.05Å; R503-D505 IonicContact CZ-OD1 3.94Å; R503-D505 IonicContact CZ-OD2 3.85Å; R503-D505 IonicContact NE-OD1 2.77Å; R503-D505 IonicContact NE-OD2 3.96Å; R503-D505 PolarHBondContact NE-OD2 3.22Å; R503-D505 IonicContact NH2-OD1 2.76Å; R503-D505 PolarHBondContact NH2-OD1 3.32Å; R503-D505 IonicContact NH2-OD2 3.51Å
504L98.5Very high96.4Very high1 Ų147.8 Ų47.81%0.00524%0.243CC..  trans-145.2123.7162.8-175.864.8000108.1V429 L431 F493 I496 A552 M555 M556V429-L504 HydrophobicContact CG1-CD1 4.06Å; L431-L504 HydrophobicContact CB-CD1 4.08Å; F493-L504 HydrophobicContact CD1-CD2 4.25Å; F493-L504 HydrophobicContact CE1-CD2 3.63Å; I496-L504 HydrophobicContact CG2-CD1 4.41Å; L504-A552 HydrophobicContact CD2-CB 3.87Å; L504-M555 HydrophobicContact CB-CB 4.28Å; L504-M555 HydrophobicContact CB-CE 3.81Å; L504-M555 HydrophobicContact CB-SD 4.05Å; L504-M555 HydrophobicContact CD2-SD 4.31Å; L504-M556 HydrophobicContact CD2-CE 4.15Å; L504-M556 HydrophobicContact CG-CE 4.03Å; L504-M556 WeakPolarHBondContact O-CG 3.43Å
505D98.5Very high95.9Very high10 Ų1045.2 Ų45.25%0.05323%0.231CC..  trans-101.6-31.1-177.9-61.2-99.1000112.1K428 V429 R503 G562 L563K428-D505 WeakPolarHBondContact CA-OD2 3.28Å; K428-D505 HydrophobicContact CB-CB 4.25Å; K428-D505 HydrophobicContact CD-CB 3.62Å; K428-D505 WeakPolarHBondContact CD-OD1 3.48Å; K428-D505 IonicContact NZ-OD1 3.01Å; K428-D505 PolarHBondContact NZ-OD1 2.97Å; V429-D505 PolarHBondContact N-OD2 3.29Å; V429-D505 WeakPolarHBondContact O-CA 3.27Å; V429-D505 WeakPolarHBondContact O-CB 3.49Å; V429-D505 PolarHBondContact O-N 2.79Å; R503-D505 IonicContact CZ-OD1 3.94Å; R503-D505 IonicContact CZ-OD2 3.85Å; R503-D505 IonicContact NE-OD1 2.77Å; R503-D505 IonicContact NE-OD2 3.96Å; R503-D505 PolarHBondContact NE-OD2 3.22Å; R503-D505 IonicContact NH2-OD1 2.76Å; R503-D505 PolarHBondContact NH2-OD1 3.32Å; R503-D505 IonicContact NH2-OD2 3.51Å; D505-G562 CarbonylContact O-C 3.57Å; D505-G562 WeakPolarHBondContact O-CA 3.49Å; D505-L563 PolarHBondContact O-N 3.37Å
506I98.8Very high95.3Very high4 Ų444.6 Ų44.62%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-136.7126.9-173.9-52.2166.2000109.7L425 V429 A430 L431 L447 V508 L563 V657 A661L425-I506 HydrophobicContact CD1-CD1 3.96Å; L425-I506 HydrophobicContact CD2-CD1 4.34Å; V429-I506 PolarHBondContact O-N 3.46Å; A430-I506 CarbonylContact C-O 3.55Å; A430-I506 VanDerWaalsContact CA-O 3.28Å; A430-I506 WeakPolarHBondContact CA-O 3.38Å; A430-I506 HydrophobicContact CB-CB 3.85Å; A430-I506 HydrophobicContact CB-CD1 4.27Å; A430-I506 HydrophobicContact CB-CG2 4.42Å; L431-I506 PolarHBondContact N-O 3.23Å; L447-I506 HydrophobicContact CD2-CD1 4.05Å; I506-V508 HydrophobicContact CG2-CG2 3.98Å; I506-L563 CarbonylContact C-O 3.47Å; I506-L563 WeakPolarHBondContact CA-O 3.15Å; I506-V657 HydrophobicContact CG2-CG1 4.28Å; I506-A661 HydrophobicContact CD1-CB 3.51Å; I506-A661 HydrophobicContact CG1-CB 4.06Å
507L98.9Very high94.9Very high0 Ų045.7 Ų45.70%024%0.244CC..EExtended strand (participates in β ladder)trans-114.6126.5165.1169.963.5000108.4L431 T433 F493 C548 A552 M556 L563 I564 V565L431-L507 HydrophobicContact CB-CD1 4.22Å; L431-L507 HydrophobicContact CD2-CD1 3.86Å; L431-L507 HydrophobicContact CG-CD1 3.97Å; T433-L507 HydrophobicContact CG2-CD1 4.29Å; F493-L507 HydrophobicContact CZ-CD1 4.4Å; F493-L507 HydrophobicContact CZ-CD2 4.49Å; L507-C548 HydrophobicContact CD1-CB 4.43Å; L507-C548 HydrophobicContact CD2-CB 3.98Å; L507-A552 HydrophobicContact CB-CB 4.03Å; L507-A552 HydrophobicContact CD2-CB 3.47Å; L507-A552 VanDerWaalsContact CD2-CB 3.47Å; L507-A552 HydrophobicContact CG-CB 4.31Å; L507-M556 HydrophobicContact CB-CE 4.03Å; L507-L563 PolarHBondContact N-O 3.48Å; L507-I564 HydrophobicContact CB-CG1 4.34Å; L507-I564 HydrophobicContact CB-CG2 4.37Å; L507-I564 HydrophobicContact CD2-CG2 3.92Å; L507-I564 HydrophobicContact CG-CG2 4.26Å; L507-I564 CarbonylContact O-C 3.54Å; L507-I564 WeakPolarHBondContact O-CA 3.46Å; L507-V565 PolarHBondContact O-N 2.63Å
508V98.8Very high94.6Very high0 Ų043.8 Ų43.80%023%0.231CC..EExtended strand (participates in β ladder)trans-115.2104.3168.8-1700000109.4L431 V432 T433 I443 I506 N510 V565 I567 V657L431-V508 PolarHBondContact O-N 2.95Å; V432-V508 HydrophobicContact CG1-CB 4.41Å; V432-V508 HydrophobicContact CG2-CB 4.47Å; T433-V508 PolarHBondContact N-O 2.96Å; T433-V508 PolarHBondContact OG1-O 2.73Å; I443-V508 HydrophobicContact CD1-CG1 3.87Å; I443-V508 HydrophobicContact CG2-CB 4.34Å; I443-V508 HydrophobicContact CG2-CG1 4.19Å; I443-V508 HydrophobicContact CG2-CG2 4.06Å; I506-V508 HydrophobicContact CG2-CG2 3.98Å; V508-N510 HydrophobicContact CG1-CB 4.46Å; V508-N510 PolarHBondContact O-N 3.17Å; V508-V565 WeakPolarHBondContact CA-O 3.41Å; V508-V565 HydrophobicContact CG1-CB 4.47Å; V508-I567 HydrophobicContact CG1-CD1 4.1Å; V508-I567 HydrophobicContact CG1-CG1 3.98Å; V508-V657 HydrophobicContact CG2-CG1 3.77Å; V508-V657 HydrophobicContact CG2-CG2 4.34Å
509N98.5Very high94Very high0 Ų037.1 Ų37.10%020%0.199CC..EExtended strand (participates in β ladder)trans-78.8105.9173-80.7-25000109.1T433 H545 C548 V565 N566 I567T433-N509 WeakPolarHBondContact OG1-CA 3.28Å; N509-H545 HydrophobicContact CB-CB 4.22Å; N509-H545 VanDerWaalsContact CB-CD2 3.5Å; N509-H545 WeakPolarHBondContact CB-CD2 3.47Å; N509-H545 PolarHBondContact ND2-O 3.23Å; N509-H545 PolarHBondContact O-NE2 2.98Å; N509-C548 VanDerWaalsContact OD1-CB 3.25Å; N509-C548 WeakPolarHBondContact OD1-CB 3.49Å; N509-V565 PolarHBondContact N-O 3.06Å; N509-N566 VanDerWaalsContact CB-OD1 3.25Å; N509-N566 WeakPolarHBondContact CB-OD1 3.49Å; N509-N566 PolarHBondContact ND2-OD1 3.38Å; N509-I567 PolarHBondContact O-N 3.17Å
510N97Very high93.5Very high21 Ų2138.4 Ų38.411%0.11221%0.206CC..  trans-131.7-21.2-177.3166.188.5000113.6T433 G434 I439 G440 V508 F512 I567T433-N510 CarbonylContact O-C 3.59Å; T433-N510 VanDerWaalsContact O-CB 3.28Å; T433-N510 WeakPolarHBondContact O-CB 3.25Å; T433-N510 PolarHBondContact O-ND2 2.86Å; T433-N510 VanDerWaalsContact O-ND2 3.09Å; T433-N510 PolarHBondContact OG1-N 3.31Å; G434-N510 PolarHBondContact O-ND2 2.86Å; G434-N510 VanDerWaalsContact O-ND2 3.07Å; I439-N510 WeakPolarHBondContact CG2-OD1 3.24Å; G440-N510 WeakPolarHBondContact CA-ND2 3.13Å; G440-N510 PolarHBondContact N-ND2 3.47Å; V508-N510 HydrophobicContact CG1-CB 4.46Å; V508-N510 PolarHBondContact O-N 3.17Å; N510-F512 PolarHBondContact O-N 2.94Å; N510-I567 HydrophobicContact CB-CB 4.29Å; N510-I567 HydrophobicContact CB-CG1 3.81Å
511A94.7Very high93Very high4 Ų437.2 Ų37.23%0.03320%0.203CC..  trans-51.5123.9-176.500000112.7T433 H483 V540 H545T433-A511 PolarHBondContact O-N 3.46Å; T433-A511 VanDerWaalsContact O-N 3.13Å; T433-A511 PolarHBondContact OG1-N 3.36Å; H483-A511 HydrophobicContact CB-CB 4.35Å; A511-V540 HydrophobicContact CB-CG1 3.79Å; A511-H545 PolarHBondContact O-CE1 2.85Å
512F93.5Very high92.4Very high58 Ų5829.1 Ų29.125%0.25417%0.166SC..  trans-147.4114-179.9-172.4-108.8000110.1N510 V515 I518 I537 Y581N510-F512 PolarHBondContact O-N 2.94Å; F512-V515 HydrophobicContact CD1-CG2 3.69Å; F512-V515 HydrophobicContact CE1-CG2 3.95Å; F512-I518 HydrophobicContact CE1-CD1 3.97Å; F512-I518 HydrophobicContact CZ-CD1 3.91Å; F512-I537 HydrophobicContact CE2-CG2 4.24Å; F512-I537 WeakPolarHBondContact CE2-O 3.25Å; F512-I537 HydrophobicContact CZ-CG2 4.24Å; F512-Y581 HydrophobicContact CZ-CD2 4.1Å; F512-Y581 HydrophobicContact CZ-CE2 4.28Å
513S89.9Confident91.8Very high63 Ų6334.1 Ų34.144%0.44118%0.181SC..  trans-89.2-19.2-178.449.10000113.6V515 E536 V540S513-V515 VanDerWaalsContact C-N 3.27Å; S513-V515 PolarHBondContact O-N 3.26Å; S513-V515 VanDerWaalsContact O-N 3.13Å; S513-E536 PolarHBondContact OG-O 3.41Å; S513-V540 WeakPolarHBondContact OG-CB 3.34Å; S513-V540 WeakPolarHBondContact OG-CG2 3.19Å
514G89.7Confident91.5Very high0 Ų033.5 Ų33.50%018%0.181CC..THydrogen-bonded Turntrans-76.32.8-165.600000116.9S516 S517 I518G514-S516 PolarHBondContact O-N 3.18Å; G514-S517 PolarHBondContact O-N 2.96Å; G514-I518 VanDerWaalsContact O-CG1 3.22Å; G514-I518 WeakPolarHBondContact O-CG1 3.48Å; G514-I518 PolarHBondContact O-N 2.96Å
515V87.7Confident91.2Very high38 Ų3838.7 Ų38.723%0.2320%0.204CC..Hα-helixtrans-60.8-48.1-173.8-177.20000111.5F512 S513 I518 M519 T618F512-V515 HydrophobicContact CD1-CG2 3.69Å; F512-V515 HydrophobicContact CE1-CG2 3.95Å; S513-V515 VanDerWaalsContact C-N 3.27Å; S513-V515 PolarHBondContact O-N 3.26Å; S513-V515 VanDerWaalsContact O-N 3.13Å; V515-I518 PolarHBondContact O-N 3.49Å; V515-M519 WeakPolarHBondContact O-CG 3.41Å; V515-M519 PolarHBondContact O-N 3.37Å; V515-T618 HydrophobicContact CG1-CG2 3.73Å
516S85.5Confident90.9Very high77 Ų7744.6 Ų44.654%0.53823%0.229SC..Hα-helixtrans-63.9-48.1-179.9-51.80000111.5G514 I518 M519 D520G514-S516 PolarHBondContact O-N 3.18Å; S516-I518 VanDerWaalsContact C-N 3.26Å; S516-I518 PolarHBondContact O-N 3.12Å; S516-M519 WeakPolarHBondContact O-CA 3.4Å; S516-M519 WeakPolarHBondContact O-CB 3.48Å; S516-M519 PolarHBondContact O-N 3.14Å; S516-D520 PolarHBondContact O-N 3.32Å
517S89.9Confident90.7Very high22 Ų2252.5 Ų52.515%0.15426%0.259CS..Hα-helixtrans-56.7-39.6177-54.10000112.5G514 M519 D520 C521 F533 E536G514-S517 PolarHBondContact O-N 2.96Å; S517-M519 VanDerWaalsContact C-N 3.34Å; S517-D520 PolarHBondContact O-N 3.11Å; S517-C521 WeakPolarHBondContact O-CB 3.38Å; S517-C521 PolarHBondContact O-N 3.17Å; S517-C521 VanDerWaalsContact O-N 3.1Å; S517-F533 WeakPolarHBondContact O-CE2 3.32Å; S517-E536 WeakPolarHBondContact CB-OE2 3.39Å; S517-E536 PolarHBondContact OG-OE2 2.75Å
518I90.1Very high90.6Very high7 Ų757.5 Ų57.54%0.03628%0.282CS..Hα-helixtrans-60.8-45175.1-71.7167.3000110.8F512 G514 V515 S516 C521 I522 I537 F577 Y581F512-I518 HydrophobicContact CE1-CD1 3.97Å; F512-I518 HydrophobicContact CZ-CD1 3.91Å; G514-I518 VanDerWaalsContact O-CG1 3.22Å; G514-I518 WeakPolarHBondContact O-CG1 3.48Å; G514-I518 PolarHBondContact O-N 2.96Å; V515-I518 PolarHBondContact O-N 3.49Å; S516-I518 VanDerWaalsContact C-N 3.26Å; S516-I518 PolarHBondContact O-N 3.12Å; I518-C521 CarbonylContact O-C 3.56Å; I518-C521 PolarHBondContact O-N 3.06Å; I518-I522 PolarHBondContact O-N 2.93Å; I518-I537 HydrophobicContact CD1-CD1 3.83Å; I518-I537 HydrophobicContact CG1-CD1 3.35Å; I518-F577 HydrophobicContact CG2-CB 3.86Å; I518-F577 HydrophobicContact CG2-CD1 4.03Å; I518-F577 HydrophobicContact CG2-CD2 3.99Å; I518-F577 HydrophobicContact CG2-CG 3.7Å; I518-Y581 HydrophobicContact CD1-CD2 3.5Å; I518-Y581 VanDerWaalsContact CD1-CD2 3.5Å; I518-Y581 HydrophobicContact CD1-CE2 4.08Å; I518-Y581 HydrophobicContact CD1-CG 4.22Å
519M85.1Confident90.3Very high19 Ų1958.3 Ų58.39%0.09429%0.288CS..Hα-helixtrans-66.3-39.3-179.6-63.8-60.9174.300111.5V515 S516 S517 C521 I522 M619 L626V515-M519 WeakPolarHBondContact O-CG 3.41Å; V515-M519 PolarHBondContact O-N 3.37Å; S516-M519 WeakPolarHBondContact O-CA 3.4Å; S516-M519 WeakPolarHBondContact O-CB 3.48Å; S516-M519 PolarHBondContact O-N 3.14Å; S517-M519 VanDerWaalsContact C-N 3.34Å; M519-C521 PolarHBondContact O-N 3.4Å; M519-I522 WeakPolarHBondContact O-CB 3.38Å; M519-I522 PolarHBondContact O-N 3.4Å; M519-I522 HydrophobicContact SD-CD1 3.61Å; M519-M619 HydrophobicContact CE-CE 4.01Å; M519-M619 HydrophobicContact CE-SD 3.87Å; M519-L626 HydrophobicContact CE-CD2 4.22Å
520D85.2Confident90Very high116 Ų11665.4 Ų65.462%0.6232%0.321SS*.Hα-helixtrans-69.8-21.4178.1-65.4-23.3000113.3S516 S517 K524S516-D520 PolarHBondContact O-N 3.32Å; S517-D520 PolarHBondContact O-N 3.11Å; D520-K524 WeakPolarHBondContact O-CE 3.12Å; D520-K524 PolarHBondContact O-NZ 3.02Å
521C86.7Confident89.9Confident20 Ų2069.5 Ų69.514%0.13535%0.349CS..THydrogen-bonded Turntrans-10713.3176.9-64.60000113.2S517 I518 M519 K523 K524 F533S517-C521 WeakPolarHBondContact O-CB 3.38Å; S517-C521 PolarHBondContact O-N 3.17Å; S517-C521 VanDerWaalsContact O-N 3.1Å; I518-C521 CarbonylContact O-C 3.56Å; I518-C521 PolarHBondContact O-N 3.06Å; M519-C521 PolarHBondContact O-N 3.4Å; C521-K523 PolarHBondContact O-N 2.74Å; C521-K524 HydrophobicContact CB-CD 4.37Å; C521-K524 WeakPolarHBondContact O-CB 3.36Å; C521-K524 PolarHBondContact O-N 3.45Å; C521-K524 VanDerWaalsContact O-N 3.16Å; C521-F533 HydrophobicContact CB-CE2 3.98Å; C521-F533 HydrophobicContact CB-CZ 3.99Å
522I82.3Confident89.8Confident25 Ų2575.3 Ų75.313%0.12838%0.375CS..THydrogen-bonded Turntrans-57.1137.3173.2-97.5175000109.5I518 M519 K524 N629I518-I522 PolarHBondContact O-N 2.93Å; M519-I522 WeakPolarHBondContact O-CB 3.38Å; M519-I522 PolarHBondContact O-N 3.4Å; M519-I522 HydrophobicContact SD-CD1 3.61Å; I522-K524 PolarHBondContact O-N 3.17Å; I522-N629 HydrophobicContact CD1-CB 4.42Å; I522-N629 HydrophobicContact CG2-CB 4.1Å
523K82.1Confident89.8Confident127 Ų12773.3 Ų73.355%0.55237%0.366SS*.THydrogen-bonded Turntrans64.3-9.2-176.6-67168.9169.9163.40116.3C521 N629 V632C521-K523 PolarHBondContact O-N 2.74Å; K523-N629 WeakPolarHBondContact CD-OD1 3.46Å; K523-N629 WeakPolarHBondContact CE-OD1 3.34Å; K523-N629 PolarHBondContact NZ-OD1 2.78Å; K523-V632 HydrophobicContact CG-CG2 4.23Å
524K89.9Confident90.1Very high92 Ų9275.4 Ų75.440%0.437%0.365SS..  trans-68.6140.5170.4-63.8-173.1-173.8163.10110.3D520 C521 I522 E528D520-K524 WeakPolarHBondContact O-CE 3.12Å; D520-K524 PolarHBondContact O-NZ 3.02Å; C521-K524 HydrophobicContact CB-CD 4.37Å; C521-K524 WeakPolarHBondContact O-CB 3.36Å; C521-K524 PolarHBondContact O-N 3.45Å; C521-K524 VanDerWaalsContact O-N 3.16Å; I522-K524 PolarHBondContact O-N 3.17Å; K524-E528 WeakPolarHBondContact CA-OE2 3.37Å; K524-E528 HydrophobicContact CB-CB 4.28Å
525K92Very high90.3Very high110 Ų11078.9 Ų78.948%0.47838%0.383SS..  trans-74.7155.8170.4-60.4-72.8-174.51770109.2W527 E528 C529K525-W527 HydrophobicContact CB-CD2 3.72Å; K525-W527 HydrophobicContact CB-CE3 4.03Å; K525-W527 HydrophobicContact CB-CG 4.38Å; K525-W527 HydrophobicContact CB-CH2 3.8Å; K525-W527 HydrophobicContact CB-CZ2 3.45Å; K525-W527 VanDerWaalsContact CB-CZ2 3.45Å; K525-W527 HydrophobicContact CB-CZ3 4.06Å; K525-W527 HydrophobicContact CD-CH2 3.7Å; K525-W527 HydrophobicContact CD-CZ2 3.83Å; K525-W527 HydrophobicContact CD-CZ3 4.39Å; K525-W527 HydrophobicContact CG-CH2 3.8Å; K525-W527 HydrophobicContact CG-CZ2 3.41Å; K525-W527 VanDerWaalsContact CG-CZ2 3.41Å; K525-W527 PolarHBondContact O-N 3.12Å; K525-W527 VanDerWaalsContact O-N 3.14Å; K525-E528 HydrophobicContact CB-CG 4.07Å; K525-E528 PolarHBondContact N-OE2 2.98Å; K525-E528 WeakPolarHBondContact O-CA 3.12Å; K525-E528 WeakPolarHBondContact O-CB 3.24Å; K525-E528 PolarHBondContact O-N 3.37Å; K525-C529 PolarHBondContact O-N 3.18Å
526F93.4Very high90.6Very high134 Ų13481.1 Ų81.159%0.58839%0.391SS*.G310 helixtrans-61.4-29.4-174.886.6-95.2000113.5E528 C529 P579F526-E528 VanDerWaalsContact C-N 3.25Å; F526-E528 PolarHBondContact O-N 3.39Å; F526-C529 PolarHBondContact O-N 3.08Å; F526-P579 HydrophobicContact CB-CG 3.66Å; F526-P579 HydrophobicContact CG-CG 4.23Å
527W94.2Very high91Very high169 Ų16977.5 Ų77.564%0.6437%0.366SS*.G310 helixtrans-79.5-5175.960.380000113.7K525K525-W527 HydrophobicContact CB-CD2 3.72Å; K525-W527 HydrophobicContact CB-CE3 4.03Å; K525-W527 HydrophobicContact CB-CG 4.38Å; K525-W527 HydrophobicContact CB-CH2 3.8Å; K525-W527 HydrophobicContact CB-CZ2 3.45Å; K525-W527 VanDerWaalsContact CB-CZ2 3.45Å; K525-W527 HydrophobicContact CB-CZ3 4.06Å; K525-W527 HydrophobicContact CD-CH2 3.7Å; K525-W527 HydrophobicContact CD-CZ2 3.83Å; K525-W527 HydrophobicContact CD-CZ3 4.39Å; K525-W527 HydrophobicContact CG-CH2 3.8Å; K525-W527 HydrophobicContact CG-CZ2 3.41Å; K525-W527 VanDerWaalsContact CG-CZ2 3.41Å; K525-W527 PolarHBondContact O-N 3.12Å; K525-W527 VanDerWaalsContact O-N 3.14Å
528E95.3Very high91.3Very high106 Ų10676.9 Ų76.950%0.49536%0.361SS..G310 helixtrans-99.3-9.4174.3-59.3169.5165.200111.6K524 K525 F526K524-E528 WeakPolarHBondContact CA-OE2 3.37Å; K524-E528 HydrophobicContact CB-CB 4.28Å; K525-E528 HydrophobicContact CB-CG 4.07Å; K525-E528 PolarHBondContact N-OE2 2.98Å; K525-E528 WeakPolarHBondContact O-CA 3.12Å; K525-E528 WeakPolarHBondContact O-CB 3.24Å; K525-E528 PolarHBondContact O-N 3.37Å; F526-E528 VanDerWaalsContact C-N 3.25Å; F526-E528 PolarHBondContact O-N 3.39Å
529C92.7Very high91.6Very high16 Ų1678.9 Ų78.911%0.10837%0.372CS..SBendtrans-88.8139171.9-59.40000109.5K525 F526 F533K525-C529 PolarHBondContact O-N 3.18Å; F526-C529 PolarHBondContact O-N 3.08Å; C529-F533 HydrophobicContact CB-CB 4.19Å; C529-F533 HydrophobicContact CB-CD1 3.95Å; C529-F533 HydrophobicContact CB-CG 4.16Å
530E93.4Very high92.1Very high149 Ų14978.8 Ų78.870%0.69637%0.372SS*.  trans-60.8142.9171.6-70.7-58.6143.100110.7Q532 F533E530-Q532 PolarHBondContact O-N 3.34Å; E530-F533 WeakPolarHBondContact O-CB 3.46Å; E530-F533 PolarHBondContact O-N 3.12Å
531P94.1Very high92.5Very high108 Ų10873.4 Ų73.470%0.70134%0.344SS*.THydrogen-bonded Turntrans-53-33.3-179.7-28.835.7000114.2F533 W534P531-F533 PolarHBondContact O-N 2.78Å; P531-F533 VanDerWaalsContact O-N 3.09Å; P531-W534 WeakPolarHBondContact O-CB 3.37Å; P531-W534 PolarHBondContact O-N 2.79Å
532Q93.7Very high93.1Very high126 Ų12673.9 Ų73.959%0.58935%0.345SS*.THydrogen-bonded Turntrans-55.6-25.4176.4-150.47721.100113.4E530 W534 D535 E536E530-Q532 PolarHBondContact O-N 3.34Å; Q532-W534 PolarHBondContact O-N 3.04Å; Q532-D535 WeakPolarHBondContact O-CB 3.31Å; Q532-D535 PolarHBondContact O-N 3.46Å; Q532-E536 PolarHBondContact O-N 3.35Å; Q532-E536 VanDerWaalsContact O-N 3.09Å
533F93.7Very high93.8Very high15 Ų1577.9 Ų77.97%0.06636%0.358CS..Hα-helixtrans-55.4-32.1175.2179.7-114.5000112.3S517 C521 C529 E530 P531 D535 E536 I537 N578 A580S517-F533 WeakPolarHBondContact O-CE2 3.32Å; C521-F533 HydrophobicContact CB-CE2 3.98Å; C521-F533 HydrophobicContact CB-CZ 3.99Å; C529-F533 HydrophobicContact CB-CB 4.19Å; C529-F533 HydrophobicContact CB-CD1 3.95Å; C529-F533 HydrophobicContact CB-CG 4.16Å; E530-F533 WeakPolarHBondContact O-CB 3.46Å; E530-F533 PolarHBondContact O-N 3.12Å; P531-F533 PolarHBondContact O-N 2.78Å; P531-F533 VanDerWaalsContact O-N 3.09Å; F533-D535 VanDerWaalsContact C-N 3.33Å; F533-D535 PolarHBondContact O-N 2.84Å; F533-E536 PolarHBondContact O-N 2.75Å; F533-I537 HydrophobicContact CD2-CG1 4.26Å; F533-I537 HydrophobicContact CE1-CG1 4.25Å; F533-I537 HydrophobicContact CE2-CD1 3.83Å; F533-I537 HydrophobicContact CE2-CG1 3.95Å; F533-I537 HydrophobicContact CZ-CD1 3.9Å; F533-I537 HydrophobicContact CZ-CG1 3.96Å; F533-I537 WeakPolarHBondContact O-CG1 2.97Å; F533-I537 PolarHBondContact O-N 3.13Å; F533-N578 HydrophobicContact CE1-CB 4.03Å; F533-N578 WeakPolarHBondContact CE1-ND2 3.13Å; F533-N578 WeakPolarHBondContact CE1-OD1 3.3Å; F533-N578 HydrophobicContact CZ-CB 4.43Å; F533-N578 WeakPolarHBondContact CZ-ND2 3.32Å; F533-A580 HydrophobicContact CD1-CB 4.42Å; F533-A580 HydrophobicContact CE1-CB 4.33Å
534W95.1Very high94.5Very high108 Ų10871.9 Ų71.941%0.40933%0.333SS..Hα-helixtrans-59-46.4173.7174.8-90.1000111.8P531 Q532 I537 N538 A580 I583P531-W534 WeakPolarHBondContact O-CB 3.37Å; P531-W534 PolarHBondContact O-N 2.79Å; Q532-W534 PolarHBondContact O-N 3.04Å; W534-I537 PolarHBondContact O-N 2.94Å; W534-N538 WeakPolarHBondContact O-CB 3.45Å; W534-N538 PolarHBondContact O-N 3.26Å; W534-A580 HydrophobicContact CD2-CB 4.46Å; W534-A580 HydrophobicContact CE3-CB 3.61Å; W534-A580 HydrophobicContact CZ3-CB 4.12Å; W534-I583 HydrophobicContact CH2-CB 4.07Å; W534-I583 HydrophobicContact CH2-CD1 4.41Å; W534-I583 HydrophobicContact CH2-CG2 3.62Å; W534-I583 HydrophobicContact CZ3-CB 4.14Å; W534-I583 HydrophobicContact CZ3-CD1 3.96Å; W534-I583 HydrophobicContact CZ3-CG2 4.17Å
535D94.5Very high94.9Very high73 Ų7367.6 Ų67.639%0.3931%0.314SS..Hα-helixtrans-69.5-38.6-178.1-58.7-61.9000111.2Q532 F533 I537 N538 N539Q532-D535 WeakPolarHBondContact O-CB 3.31Å; Q532-D535 PolarHBondContact O-N 3.46Å; F533-D535 VanDerWaalsContact C-N 3.33Å; F533-D535 PolarHBondContact O-N 2.84Å; D535-I537 PolarHBondContact O-N 2.59Å; D535-N538 PolarHBondContact O-N 3.05Å; D535-N539 WeakPolarHBondContact O-CB 3.4Å; D535-N539 PolarHBondContact O-N 3.41Å
536E93Very high95.2Very high85 Ų8568.2 Ų68.240%0.39731%0.314SS..Hα-helixtrans-57.4-35.7175.1-68.1174.8-170.600112.7S513 S517 Q532 F533S513-E536 PolarHBondContact OG-O 3.41Å; S517-E536 WeakPolarHBondContact CB-OE2 3.39Å; S517-E536 PolarHBondContact OG-OE2 2.75Å; Q532-E536 PolarHBondContact O-N 3.35Å; Q532-E536 VanDerWaalsContact O-N 3.09Å; F533-E536 PolarHBondContact O-N 2.75Å
537I94.2Very high95.5Very high1 Ų162.4 Ų62.41%0.00529%0.29CS..Hα-helixtrans-83.7-45.7-179.2-58.5-71.7000111.4F512 I518 F533 W534 D535 A580F512-I537 HydrophobicContact CE2-CG2 4.24Å; F512-I537 WeakPolarHBondContact CE2-O 3.25Å; F512-I537 HydrophobicContact CZ-CG2 4.24Å; I518-I537 HydrophobicContact CD1-CD1 3.83Å; I518-I537 HydrophobicContact CG1-CD1 3.35Å; F533-I537 HydrophobicContact CD2-CG1 4.26Å; F533-I537 HydrophobicContact CE1-CG1 4.25Å; F533-I537 HydrophobicContact CE2-CD1 3.83Å; F533-I537 HydrophobicContact CE2-CG1 3.95Å; F533-I537 HydrophobicContact CZ-CD1 3.9Å; F533-I537 HydrophobicContact CZ-CG1 3.96Å; F533-I537 WeakPolarHBondContact O-CG1 2.97Å; F533-I537 PolarHBondContact O-N 3.13Å; W534-I537 PolarHBondContact O-N 2.94Å; D535-I537 PolarHBondContact O-N 2.59Å; I537-A580 HydrophobicContact CB-CB 4.28Å; I537-A580 HydrophobicContact CG1-CB 4.29Å; I537-A580 HydrophobicContact CG2-CB 4.33Å
538N97.2Very high95.7Very high8 Ų854.4 Ų54.44%0.04326%0.259CS..Hα-helixtrans-106.7-14.3-164.6-70.7-46.8000114.8W534 D535 L542 R543 A580 G584W534-N538 WeakPolarHBondContact O-CB 3.45Å; W534-N538 PolarHBondContact O-N 3.26Å; D535-N538 PolarHBondContact O-N 3.05Å; N538-L542 HydrophobicContact CB-CB 4.13Å; N538-L542 HydrophobicContact CB-CD2 4.29Å; N538-L542 WeakPolarHBondContact O-CB 3.4Å; N538-L542 PolarHBondContact O-N 3.35Å; N538-L542 VanDerWaalsContact O-N 3.1Å; N538-R543 PolarHBondContact O-N 3.31Å; N538-A580 PolarHBondContact ND2-O 3.02Å; N538-A580 VanDerWaalsContact ND2-O 3.08Å; N538-A580 PolarHBondContact OD1-O 2.8Å; N538-G584 WeakPolarHBondContact OD1-CA 3.43Å
539N96.3Very high95.9Very high50 Ų5049.6 Ų49.627%0.26724%0.238SC..Iπ-helixtrans-66.3-45.4-179.1-162.625.9000111.5D535 R543 G544D535-N539 WeakPolarHBondContact O-CB 3.4Å; D535-N539 PolarHBondContact O-N 3.41Å; N539-R543 WeakPolarHBondContact O-CB 3.31Å; N539-R543 WeakPolarHBondContact OD1-CD 3.12Å; N539-G544 PolarHBondContact O-N 3.06Å
540V95.3Very high96.2Very high17 Ų1750.9 Ų50.910%0.10325%0.245CC..Iπ-helixtrans-83.8-48.8175.3174.30000111.7H483 A511 S513 L542 H545H483-V540 HydrophobicContact CB-CG1 3.79Å; H483-V540 HydrophobicContact CB-CG2 4.44Å; A511-V540 HydrophobicContact CB-CG1 3.79Å; S513-V540 WeakPolarHBondContact OG-CB 3.34Å; S513-V540 WeakPolarHBondContact OG-CG2 3.19Å; V540-L542 VanDerWaalsContact C-N 3.35Å; V540-L542 PolarHBondContact O-N 2.84Å; V540-H545 PolarHBondContact O-ND1 2.81Å; V540-H545 VanDerWaalsContact O-ND1 3.08Å
541G94.3Very high96.4Very high3 Ų345.3 Ų45.33%0.03122%0.218CC..Iπ-helixtrans-77.6-10.2-169.300000116.8H545 C588G541-H545 PolarHBondContact O-CD2 2.87Å; G541-C588 PolarHBondContact O-SG 2.97Å; G541-C588 VanDerWaalsContact O-SG 3.36Å
542L97.7Very high96.6Very high29 Ų2940.1 Ų40.115%0.15218%0.184CC..Iπ-helixtrans-133.7-57.3179.7172.665.8000111N538 V540 H545 Y546 A587 M591N538-L542 HydrophobicContact CB-CB 4.13Å; N538-L542 HydrophobicContact CB-CD2 4.29Å; N538-L542 WeakPolarHBondContact O-CB 3.4Å; N538-L542 PolarHBondContact O-N 3.35Å; N538-L542 VanDerWaalsContact O-N 3.1Å; V540-L542 VanDerWaalsContact C-N 3.35Å; V540-L542 PolarHBondContact O-N 2.84Å; L542-H545 WeakPolarHBondContact O-CB 3.39Å; L542-H545 PolarHBondContact O-N 2.93Å; L542-Y546 PolarHBondContact O-N 2.88Å; L542-A587 HydrophobicContact CD1-CB 3.6Å; L542-A587 HydrophobicContact CD2-CB 3.83Å; L542-A587 HydrophobicContact CG-CB 4.38Å; L542-M591 HydrophobicContact CD1-CE 3.62Å
543R97.7Very high96.9Very high110 Ų11035 Ų3542%0.41516%0.164SC..Iπ-helixtrans-65.8-49.5-179.6-179.2-171.5-166.1-40.57.2110.8D486 N538 N539 H545 Y546 V547D486-R543 IonicContact OD1-CZ 3.32Å; D486-R543 IonicContact OD1-NH1 2.99Å; D486-R543 PolarHBondContact OD1-NH1 3.45Å; D486-R543 IonicContact OD1-NH2 3.6Å; D486-R543 IonicContact OD2-CZ 2.68Å; D486-R543 IonicContact OD2-NH1 3.58Å; D486-R543 PolarHBondContact OD2-NH1 2.53Å; D486-R543 IonicContact OD2-NH2 3.83Å; D486-R543 PolarHBondContact OD2-NH2 3.05Å; N538-R543 PolarHBondContact O-N 3.31Å; N539-R543 WeakPolarHBondContact O-CB 3.31Å; N539-R543 WeakPolarHBondContact OD1-CD 3.12Å; R543-H545 PolarHBondContact O-N 2.79Å; R543-Y546 WeakPolarHBondContact O-CB 3.43Å; R543-Y546 PolarHBondContact O-N 2.83Å; R543-Y546 VanDerWaalsContact O-N 3.09Å; R543-V547 WeakPolarHBondContact O-CG2 3.38Å; R543-V547 PolarHBondContact O-N 2.9Å
544G97.4Very high97.1Very high1 Ų140.9 Ų40.91%0.0119%0.186CC..Iπ-helixtrans-56.3-37.1174.500000113N539 V547 C548N539-G544 PolarHBondContact O-N 3.06Å; G544-V547 PolarHBondContact O-N 3.18Å; G544-C548 WeakPolarHBondContact O-CB 3.19Å; G544-C548 PolarHBondContact O-N 3.32Å; G544-C548 PolarHBondContact O-SG 3.41Å
545H98.3Very high97.2Very high1 Ų136.4 Ų36.41%0.00517%0.169CC..Hα-helixtrans-63.3-43.6175.7-69.427.7000112.2N509 A511 V540 G541 L542 R543 C548 A549N509-H545 HydrophobicContact CB-CB 4.22Å; N509-H545 VanDerWaalsContact CB-CD2 3.5Å; N509-H545 WeakPolarHBondContact CB-CD2 3.47Å; N509-H545 PolarHBondContact ND2-O 3.23Å; N509-H545 PolarHBondContact O-NE2 2.98Å; A511-H545 PolarHBondContact O-CE1 2.85Å; V540-H545 PolarHBondContact O-ND1 2.81Å; V540-H545 VanDerWaalsContact O-ND1 3.08Å; G541-H545 PolarHBondContact O-CD2 2.87Å; L542-H545 WeakPolarHBondContact O-CB 3.39Å; L542-H545 PolarHBondContact O-N 2.93Å; R543-H545 PolarHBondContact O-N 2.79Å; H545-C548 PolarHBondContact O-N 3.38Å; H545-A549 WeakPolarHBondContact O-CB 3.24Å; H545-A549 PolarHBondContact O-N 3.01Å
546Y98.6Very high97.4Very high124 Ų12432.9 Ų32.949%0.48615%0.151SC..Hα-helixtrans-61.9-47.8176.1178.2-107.8000111.7L542 R543 C548 A549 V550 M591L542-Y546 PolarHBondContact O-N 2.88Å; R543-Y546 WeakPolarHBondContact O-CB 3.43Å; R543-Y546 PolarHBondContact O-N 2.83Å; R543-Y546 VanDerWaalsContact O-N 3.09Å; Y546-C548 VanDerWaalsContact C-N 3.34Å; Y546-C548 PolarHBondContact O-N 3.22Å; Y546-A549 WeakPolarHBondContact O-CB 3.32Å; Y546-A549 PolarHBondContact O-N 2.96Å; Y546-A549 VanDerWaalsContact O-N 3.13Å; Y546-V550 HydrophobicContact CD1-CG2 4.39Å; Y546-V550 HydrophobicContact CE1-CG2 3.96Å; Y546-V550 HydrophobicContact CE2-CG2 4.17Å; Y546-V550 WeakPolarHBondContact O-CG2 3.24Å; Y546-V550 PolarHBondContact O-N 3.06Å; Y546-M591 HydrophobicContact CD2-CE 4.26Å; Y546-M591 HydrophobicContact CD2-CG 4.4Å; Y546-M591 HydrophobicContact CD2-SD 4.11Å; Y546-M591 HydrophobicContact CG-CE 4.43Å
547V98.7Very high97.6Very high12 Ų1231 Ų317%0.07315%0.145CC..Hα-helixtrans-61.5-44.9179.8-177.80000110.6I489 R543 G544 A549 V550 Y551I489-V547 HydrophobicContact CB-CG1 4.01Å; I489-V547 HydrophobicContact CD1-CB 3.94Å; I489-V547 HydrophobicContact CD1-CG1 3.98Å; I489-V547 HydrophobicContact CG2-CB 4.36Å; I489-V547 HydrophobicContact CG2-CG1 3.71Å; R543-V547 WeakPolarHBondContact O-CG2 3.38Å; R543-V547 PolarHBondContact O-N 2.9Å; G544-V547 PolarHBondContact O-N 3.18Å; V547-A549 VanDerWaalsContact C-N 3.33Å; V547-A549 PolarHBondContact O-N 3.17Å; V547-V550 PolarHBondContact O-N 3.45Å; V547-Y551 HydrophobicContact CG1-CD2 3.89Å; V547-Y551 HydrophobicContact CG1-CE2 3.61Å; V547-Y551 VanDerWaalsContact O-CD2 3.25Å; V547-Y551 WeakPolarHBondContact O-CD2 3.25Å; V547-Y551 PolarHBondContact O-N 2.72Å
548C98.7Very high97.7Very high0 Ų039.2 Ų39.20%018%0.18CC..Hα-helixtrans-58.9-43.9173.9-71.80000112F493 L507 N509 G544 H545 Y546 V550 Y551 A552F493-C548 HydrophobicContact CE2-CB 4Å; F493-C548 HydrophobicContact CZ-CB 4.09Å; F493-C548 WeakPolarHBondContact CZ-O 3.41Å; L507-C548 HydrophobicContact CD1-CB 4.43Å; L507-C548 HydrophobicContact CD2-CB 3.98Å; N509-C548 VanDerWaalsContact OD1-CB 3.25Å; N509-C548 WeakPolarHBondContact OD1-CB 3.49Å; G544-C548 WeakPolarHBondContact O-CB 3.19Å; G544-C548 PolarHBondContact O-N 3.32Å; G544-C548 PolarHBondContact O-SG 3.41Å; H545-C548 PolarHBondContact O-N 3.38Å; Y546-C548 VanDerWaalsContact C-N 3.34Å; Y546-C548 PolarHBondContact O-N 3.22Å; C548-V550 VanDerWaalsContact C-N 3.33Å; C548-V550 PolarHBondContact O-N 2.9Å; C548-Y551 PolarHBondContact O-N 3.03Å; C548-A552 VanDerWaalsContact O-CB 3.29Å; C548-A552 WeakPolarHBondContact O-CB 3.18Å; C548-A552 PolarHBondContact O-N 3.29Å
549A98.7Very high97.6Very high6 Ų642.8 Ų42.85%0.0520%0.199CC..Hα-helixtrans-62.1-39.1178.400000112.2H545 Y546 V547 A553 F606H545-A549 WeakPolarHBondContact O-CB 3.24Å; H545-A549 PolarHBondContact O-N 3.01Å; Y546-A549 WeakPolarHBondContact O-CB 3.32Å; Y546-A549 PolarHBondContact O-N 2.96Å; Y546-A549 VanDerWaalsContact O-N 3.13Å; V547-A549 VanDerWaalsContact C-N 3.33Å; V547-A549 PolarHBondContact O-N 3.17Å; A549-A553 WeakPolarHBondContact O-CB 3.42Å; A549-A553 PolarHBondContact O-N 3.49Å; A549-F606 HydrophobicContact CB-CE1 3.88Å; A549-F606 HydrophobicContact CB-CZ 3.97Å
550V98.7Very high97.5Very high43 Ų4345.5 Ų45.526%0.26121%0.209SC..Hα-helixtrans-60.7-49.5176.3169.60000111.4Y546 V547 C548 R554Y546-V550 HydrophobicContact CD1-CG2 4.39Å; Y546-V550 HydrophobicContact CE1-CG2 3.96Å; Y546-V550 HydrophobicContact CE2-CG2 4.17Å; Y546-V550 WeakPolarHBondContact O-CG2 3.24Å; Y546-V550 PolarHBondContact O-N 3.06Å; V547-V550 PolarHBondContact O-N 3.45Å; C548-V550 VanDerWaalsContact C-N 3.33Å; C548-V550 PolarHBondContact O-N 2.9Å; V550-R554 WeakPolarHBondContact O-CG 3.06Å; V550-R554 PolarHBondContact O-N 3.23Å; V550-R554 VanDerWaalsContact O-N 3.17Å
551Y98.7Very high97.6Very high31 Ų3146.8 Ų46.812%0.12222%0.218CC..Hα-helixtrans-71.3-39.9-179-71.2-73.4000112.4I489 R490 F493 V547 C548 A553 R554 M555I489-Y551 HydrophobicContact CG2-CD2 4.21Å; R490-Y551 HydrophobicContact CB-CE1 4.36Å; R490-Y551 HydrophobicContact CB-CE2 4.2Å; R490-Y551 HydrophobicContact CG-CE1 4.14Å; R490-Y551 PolarHBondContact NE-OH 3.07Å; R490-Y551 PolarHBondContact NH2-OH 3.05Å; F493-Y551 HydrophobicContact CB-CG 4.3Å; F493-Y551 HydrophobicContact CD2-CD2 4.31Å; F493-Y551 HydrophobicContact CD2-CG 4.16Å; F493-Y551 HydrophobicContact CG-CG 4.22Å; V547-Y551 HydrophobicContact CG1-CD2 3.89Å; V547-Y551 HydrophobicContact CG1-CE2 3.61Å; V547-Y551 VanDerWaalsContact O-CD2 3.25Å; V547-Y551 WeakPolarHBondContact O-CD2 3.25Å; V547-Y551 PolarHBondContact O-N 2.72Å; C548-Y551 PolarHBondContact O-N 3.03Å; Y551-A553 PolarHBondContact O-N 3.31Å; Y551-R554 WeakPolarHBondContact O-CB 3.46Å; Y551-R554 PolarHBondContact O-N 3.45Å; Y551-M555 PolarHBondContact O-N 3.45Å
552A98.7Very high97.8Very high0 Ų047 Ų470%022%0.221CC..Hα-helixtrans-60-46.3173.400000111.9F493 L504 L507 C548 R554 M555 M556 I564F493-A552 HydrophobicContact CE1-CB 3.71Å; F493-A552 VanDerWaalsContact CE1-N 3.35Å; F493-A552 HydrophobicContact CZ-CB 4.07Å; L504-A552 HydrophobicContact CD2-CB 3.87Å; L507-A552 HydrophobicContact CB-CB 4.03Å; L507-A552 HydrophobicContact CD2-CB 3.47Å; L507-A552 VanDerWaalsContact CD2-CB 3.47Å; L507-A552 HydrophobicContact CG-CB 4.31Å; C548-A552 VanDerWaalsContact O-CB 3.29Å; C548-A552 WeakPolarHBondContact O-CB 3.18Å; C548-A552 PolarHBondContact O-N 3.29Å; A552-R554 VanDerWaalsContact C-N 3.3Å; A552-R554 PolarHBondContact O-N 2.8Å; A552-M555 PolarHBondContact O-N 3.24Å; A552-M555 VanDerWaalsContact O-N 3.07Å; A552-M556 HydrophobicContact CB-CE 4.21Å; A552-M556 HydrophobicContact CB-SD 4.43Å; A552-M556 WeakPolarHBondContact O-CB 3.38Å; A552-M556 VanDerWaalsContact O-CG 3.31Å; A552-M556 WeakPolarHBondContact O-CG 3.22Å; A552-M556 PolarHBondContact O-N 3.03Å; A552-I564 HydrophobicContact CB-CD1 4.34Å
553A98.6Very high97.8Very high19 Ų1946 Ų4616%0.15722%0.215CC..Hα-helixtrans-58.3-41.6177.800000111.7A549 Y551 M555 M556 V557 L599A549-A553 WeakPolarHBondContact O-CB 3.42Å; A549-A553 PolarHBondContact O-N 3.49Å; Y551-A553 PolarHBondContact O-N 3.31Å; A553-M555 PolarHBondContact O-N 2.91Å; A553-M556 PolarHBondContact O-N 3.47Å; A553-V557 VanDerWaalsContact O-CB 3.22Å; A553-V557 WeakPolarHBondContact O-CB 3.46Å; A553-V557 WeakPolarHBondContact O-CG2 3.12Å; A553-V557 PolarHBondContact O-N 3.14Å; A553-L599 HydrophobicContact CB-CD2 4.06Å
554R97.8Very high97.9Very high138 Ų13840.7 Ų40.752%0.52120%0.196SC..Hα-helixtrans-58.5-31.9176.4-72.8169.2178.9175.50.3113.3V550 Y551 A552 K558V550-R554 WeakPolarHBondContact O-CG 3.06Å; V550-R554 PolarHBondContact O-N 3.23Å; V550-R554 VanDerWaalsContact O-N 3.17Å; Y551-R554 WeakPolarHBondContact O-CB 3.46Å; Y551-R554 PolarHBondContact O-N 3.45Å; A552-R554 VanDerWaalsContact C-N 3.3Å; A552-R554 PolarHBondContact O-N 2.8Å; R554-K558 WeakPolarHBondContact O-CD 3.33Å; R554-K558 WeakPolarHBondContact O-CE 3.26Å; R554-K558 WeakPolarHBondContact O-CG 3.26Å
555M98.2Very high98Very high13 Ų1340.7 Ų40.76%0.06420%0.195CC..Hα-helixtrans-81.9-47.7175.3-61.2174.273.300111.4F493 I496 G502 L504 Y551 A552 A553 V557 K558 N559F493-M555 HydrophobicContact CD1-SD 3.89Å; I496-M555 HydrophobicContact CG2-CE 4.31Å; G502-M555 WeakPolarHBondContact O-CE 3.4Å; L504-M555 HydrophobicContact CB-CB 4.28Å; L504-M555 HydrophobicContact CB-CE 3.81Å; L504-M555 HydrophobicContact CB-SD 4.05Å; L504-M555 HydrophobicContact CD2-SD 4.31Å; Y551-M555 PolarHBondContact O-N 3.45Å; A552-M555 PolarHBondContact O-N 3.24Å; A552-M555 VanDerWaalsContact O-N 3.07Å; A553-M555 PolarHBondContact O-N 2.91Å; M555-V557 PolarHBondContact O-N 2.73Å; M555-K558 PolarHBondContact O-N 3.28Å; M555-N559 PolarHBondContact O-N 3.47Å; M555-N559 PolarHBondContact O-ND2 2.67Å
556M98.6Very high98Very high0 Ų040.6 Ų40.60%020%0.195CC..Hα-helixtrans-66.2-38.2-175.5-69175.4179.100113.1L504 L507 A552 A553 K558 N559 K560 S561 I564 V604L504-M556 HydrophobicContact CD2-CE 4.15Å; L504-M556 HydrophobicContact CG-CE 4.03Å; L504-M556 WeakPolarHBondContact O-CG 3.43Å; L507-M556 HydrophobicContact CB-CE 4.03Å; A552-M556 HydrophobicContact CB-CE 4.21Å; A552-M556 HydrophobicContact CB-SD 4.43Å; A552-M556 WeakPolarHBondContact O-CB 3.38Å; A552-M556 VanDerWaalsContact O-CG 3.31Å; A552-M556 WeakPolarHBondContact O-CG 3.22Å; A552-M556 PolarHBondContact O-N 3.03Å; A553-M556 PolarHBondContact O-N 3.47Å; M556-K558 PolarHBondContact O-N 3.42Å; M556-N559 CarbonylContact O-C 3.6Å; M556-N559 PolarHBondContact O-N 3.08Å; M556-K560 PolarHBondContact O-N 2.91Å; M556-S561 WeakPolarHBondContact CA-O 3.48Å; M556-S561 WeakPolarHBondContact CB-O 3.4Å; M556-S561 PolarHBondContact O-N 3.01Å; M556-I564 HydrophobicContact CE-CG1 4.09Å; M556-I564 HydrophobicContact SD-CD1 4.08Å; M556-I564 HydrophobicContact SD-CG1 3.64Å; M556-V604 HydrophobicContact CB-CG1 4.01Å; M556-V604 HydrophobicContact CB-CG2 3.68Å; M556-V604 HydrophobicContact SD-CG1 3.81Å
557V98.1Very high97.9Very high45 Ų4535.2 Ų35.227%0.27317%0.174SC..Hα-helixtrans-61.8-42.1177.6166.30000111.2A553 M555 N559 K560 L599 E602A553-V557 VanDerWaalsContact O-CB 3.22Å; A553-V557 WeakPolarHBondContact O-CB 3.46Å; A553-V557 WeakPolarHBondContact O-CG2 3.12Å; A553-V557 PolarHBondContact O-N 3.14Å; M555-V557 PolarHBondContact O-N 2.73Å; V557-N559 PolarHBondContact O-N 3.36Å; V557-K560 PolarHBondContact O-N 2.78Å; V557-K560 VanDerWaalsContact O-N 3.12Å; V557-L599 HydrophobicContact CG2-CD2 3.8Å; V557-E602 HydrophobicContact CB-CB 4.46Å; V557-E602 HydrophobicContact CG1-CB 4.31Å; V557-E602 HydrophobicContact CG1-CG 3.99Å; V557-E602 WeakPolarHBondContact CG1-OE2 3.36Å; V557-E602 HydrophobicContact CG2-CB 3.92Å; V557-E602 HydrophobicContact CG2-CG 4.03Å
558K95.9Very high97.9Very high174 Ų17434.9 Ų34.976%0.75717%0.172SC*.Hα-helixtrans-60.6-36.4176.3-67.4175.5-174.9178.60111.9R554 M555 M556R554-K558 WeakPolarHBondContact O-CD 3.33Å; R554-K558 WeakPolarHBondContact O-CE 3.26Å; R554-K558 WeakPolarHBondContact O-CG 3.26Å; M555-K558 PolarHBondContact O-N 3.28Å; M556-K558 PolarHBondContact O-N 3.42Å
559N93.7Very high97.6Very high82 Ų8235.6 Ų35.644%0.43918%0.178SC..THydrogen-bonded Turntrans-88.2-3.1179.7-67.5-32.8000113.8G502 M555 M556 V557 S561G502-N559 PolarHBondContact O-ND2 3.48Å; M555-N559 PolarHBondContact O-N 3.47Å; M555-N559 PolarHBondContact O-ND2 2.67Å; M556-N559 CarbonylContact O-C 3.6Å; M556-N559 PolarHBondContact O-N 3.08Å; V557-N559 PolarHBondContact O-N 3.36Å; N559-S561 PolarHBondContact O-N 2.85Å; N559-S561 VanDerWaalsContact O-N 3.13Å
560K96.1Very high97.2Very high108 Ų10839 Ų3947%0.4719%0.19SC..THydrogen-bonded Turntrans49.634.9-175.1-61.9-71.6-168.3172.50113.1M556 V557 E602 N603M556-K560 PolarHBondContact O-N 2.91Å; V557-K560 PolarHBondContact O-N 2.78Å; V557-K560 VanDerWaalsContact O-N 3.12Å; K560-E602 CarbonylContact C-O 3.33Å; K560-E602 VanDerWaalsContact CA-O 3.29Å; K560-E602 WeakPolarHBondContact CA-O 3.44Å; K560-E602 WeakPolarHBondContact CE-OE2 3.36Å; K560-E602 IonicContact NZ-OE1 3.94Å; K560-E602 PolarHBondContact NZ-OE1 2.91Å; K560-E602 IonicContact NZ-OE2 2.69Å; K560-E602 PolarHBondContact NZ-OE2 2.84Å; K560-N603 WeakPolarHBondContact O-CB 3.49Å; K560-N603 PolarHBondContact O-ND2 3.02Å
561S96.7Very high96.8Very high43 Ų4337 Ų3730%0.30118%0.178SC..  trans-160.3135.6-175.9-175.80000110.2M556 N559M556-S561 WeakPolarHBondContact CA-O 3.48Å; M556-S561 WeakPolarHBondContact CB-O 3.4Å; M556-S561 PolarHBondContact O-N 3.01Å; N559-S561 PolarHBondContact O-N 2.85Å; N559-S561 VanDerWaalsContact O-N 3.13Å
562G97.9Very high96.4Very high9 Ų936 Ų369%0.09318%0.178CC..EExtended strand (participates in β ladder)trans171.2161.6170.100000113.3D505 A605D505-G562 CarbonylContact O-C 3.57Å; D505-G562 WeakPolarHBondContact O-CA 3.49Å; G562-A605 PolarHBondContact O-N 2.91Å
563L98.8Very high96Very high6 Ų638 Ų383%0.03119%0.188CC..EExtended strand (participates in β ladder)trans-130.7122.2171.4173.262.1000109.8D505 I506 L507 V565 A605 L607 L660 A661 I666D505-L563 PolarHBondContact O-N 3.37Å; I506-L563 CarbonylContact C-O 3.47Å; I506-L563 WeakPolarHBondContact CA-O 3.15Å; L507-L563 PolarHBondContact N-O 3.48Å; L563-V565 HydrophobicContact CD1-CG2 3.95Å; L563-V565 HydrophobicContact CD2-CG2 3.98Å; L563-V565 HydrophobicContact CG-CG2 3.77Å; L563-A605 CarbonylContact C-O 3.48Å; L563-A605 WeakPolarHBondContact CA-O 3.24Å; L563-A605 HydrophobicContact CD1-CB 3.86Å; L563-L607 HydrophobicContact CD1-CD2 3.83Å; L563-L607 HydrophobicContact CD1-CG 4.11Å; L563-L660 HydrophobicContact CD2-CB 4.03Å; L563-A661 HydrophobicContact CD2-CB 3.95Å; L563-I666 HydrophobicContact CD1-CD1 4.41Å; L563-I666 HydrophobicContact CD1-CG1 4.01Å
564I98.9Very high95.5Very high0 Ų040.6 Ų40.60%020%0.196CC..EExtended strand (participates in β ladder)trans-108.6126.4170.9-53.6176.9000108.4L507 A552 M556 L599 A605 F606 L607L507-I564 HydrophobicContact CB-CG1 4.34Å; L507-I564 HydrophobicContact CB-CG2 4.37Å; L507-I564 HydrophobicContact CD2-CG2 3.92Å; L507-I564 HydrophobicContact CG-CG2 4.26Å; L507-I564 CarbonylContact O-C 3.54Å; L507-I564 WeakPolarHBondContact O-CA 3.46Å; A552-I564 HydrophobicContact CB-CD1 4.34Å; M556-I564 HydrophobicContact CE-CG1 4.09Å; M556-I564 HydrophobicContact SD-CD1 4.08Å; M556-I564 HydrophobicContact SD-CG1 3.64Å; I564-L599 HydrophobicContact CD1-CD1 4.31Å; I564-A605 PolarHBondContact N-O 2.91Å; I564-F606 HydrophobicContact CB-CB 4.33Å; I564-F606 HydrophobicContact CB-CD1 4.4Å; I564-F606 HydrophobicContact CB-CD2 3.71Å; I564-F606 HydrophobicContact CB-CE2 4.11Å; I564-F606 HydrophobicContact CB-CG 3.9Å; I564-F606 HydrophobicContact CD1-CD1 4.32Å; I564-F606 HydrophobicContact CG2-CD1 4.36Å; I564-F606 HydrophobicContact CG2-CD2 3.58Å; I564-F606 HydrophobicContact CG2-CE1 4.23Å; I564-F606 HydrophobicContact CG2-CE2 3.42Å; I564-F606 VanDerWaalsContact CG2-CE2 3.42Å; I564-F606 HydrophobicContact CG2-CG 4.09Å; I564-F606 HydrophobicContact CG2-CZ 3.78Å; I564-F606 WeakPolarHBondContact O-CA 3.15Å; I564-F606 WeakPolarHBondContact O-CD2 3.42Å; I564-L607 PolarHBondContact O-N 3.41Å
565V98.9Very high95Very high0 Ų040.6 Ų40.60%020%0.197CC..EExtended strand (participates in β ladder)trans-122.6120.6178.9-176.80000109.6L507 V508 N509 L563 I567 L607 L609 V657L507-V565 PolarHBondContact O-N 2.63Å; V508-V565 WeakPolarHBondContact CA-O 3.41Å; V508-V565 HydrophobicContact CG1-CB 4.47Å; N509-V565 PolarHBondContact N-O 3.06Å; L563-V565 HydrophobicContact CD1-CG2 3.95Å; L563-V565 HydrophobicContact CD2-CG2 3.98Å; L563-V565 HydrophobicContact CG-CG2 3.77Å; V565-I567 HydrophobicContact CG1-CD1 4.19Å; V565-L607 WeakPolarHBondContact CA-O 3.41Å; V565-L607 HydrophobicContact CB-CD1 4.31Å; V565-L607 HydrophobicContact CG1-CD1 3.9Å; V565-L607 HydrophobicContact CG2-CD1 3.9Å; V565-L607 HydrophobicContact CG2-CG 4.39Å; V565-L609 HydrophobicContact CG1-CB 3.8Å; V565-V657 HydrophobicContact CG1-CG2 4.46Å
566N98.7Very high94.6Very high0 Ų040.2 Ų40.20%020%0.195CC..EExtended strand (participates in β ladder)trans-89.2125.8165.8-77.1-12.5000109.8N509 S568 C588 L607 S608 L609N509-N566 VanDerWaalsContact CB-OD1 3.25Å; N509-N566 WeakPolarHBondContact CB-OD1 3.49Å; N509-N566 PolarHBondContact ND2-OD1 3.38Å; N566-S568 PolarHBondContact O-N 3.25Å; N566-C588 PolarHBondContact ND2-O 2.95Å; N566-C588 VanDerWaalsContact ND2-O 3.14Å; N566-L607 PolarHBondContact N-O 2.94Å; N566-S608 WeakPolarHBondContact O-CA 3.45Å; N566-L609 PolarHBondContact O-N 3.22Å
567I98Very high94.1Very high10 Ų1041.3 Ų41.35%0.05120%0.2CC..EExtended strand (participates in β ladder)trans-79.9103.2167.2-56.1-55.4000108.3I439 I443 V508 N509 N510 V565 K585 L609 P611I439-I567 HydrophobicContact CD1-CG2 4.48Å; I439-I567 HydrophobicContact CG2-CG2 4.34Å; I443-I567 HydrophobicContact CD1-CD1 3.84Å; I443-I567 HydrophobicContact CD1-CG1 4.03Å; V508-I567 HydrophobicContact CG1-CD1 4.1Å; V508-I567 HydrophobicContact CG1-CG1 3.98Å; N509-I567 PolarHBondContact O-N 3.17Å; N510-I567 HydrophobicContact CB-CB 4.29Å; N510-I567 HydrophobicContact CB-CG1 3.81Å; V565-I567 HydrophobicContact CG1-CD1 4.19Å; I567-K585 PolarHBondContact O-NZ 3.08Å; I567-L609 HydrophobicContact CD1-CB 4.2Å; I567-L609 HydrophobicContact CD1-CD2 4.09Å; I567-P611 HydrophobicContact CG2-CG 3.92Å
568S96.8Very high93.7Very high5 Ų539.4 Ų39.44%0.03519%0.188CC..  trans-113-164.4-177.1-171.60000110.7N566 K585 D589 L609 W610 P611N566-S568 PolarHBondContact O-N 3.25Å; S568-K585 PolarHBondContact OG-O 3.05Å; S568-D589 WeakPolarHBondContact CB-OD1 3.35Å; S568-D589 PolarHBondContact OG-OD1 3.04Å; S568-D589 PolarHBondContact OG-OD2 3.47Å; S568-L609 PolarHBondContact N-O 3.09Å; S568-W610 PolarHBondContact OG-NE1 3Å; S568-P611 VanDerWaalsContact O-CD 3.25Å; S568-P611 WeakPolarHBondContact O-CD 3.04Å
569S94.2Very high93.6Very high16 Ų1633.1 Ų33.111%0.11217%0.165CC..  trans-149.2149.6-176.3172.20000110.4G571 G572 Y581S569-G571 PolarHBondContact O-N 2.84Å; S569-G571 PolarHBondContact OG-N 2.86Å; S569-G571 VanDerWaalsContact OG-N 3.12Å; S569-G572 PolarHBondContact O-N 2.94Å; S569-Y581 WeakPolarHBondContact CB-OH 3.33Å; S569-Y581 PolarHBondContact OG-OH 2.97Å
570Y89.5Confident93.7Very high76 Ų7629.5 Ų29.530%0.29815%0.147SC..G310 helixtrans-60.2-16171.395.9-60.4000113.4G572 L573 F574 L576 W610Y570-G572 PolarHBondContact O-N 3.5Å; Y570-G572 VanDerWaalsContact O-N 3.1Å; Y570-L573 PolarHBondContact O-N 2.65Å; Y570-F574 HydrophobicContact CD2-CD1 4.37Å; Y570-F574 AromaticContact CD2-CE1 3.3Å; Y570-F574 HydrophobicContact CD2-CE1 3.3Å; Y570-F574 AromaticContact CD2-CZ 3.75Å; Y570-F574 HydrophobicContact CD2-CZ 3.75Å; Y570-F574 HydrophobicContact CE1-CZ 4.25Å; Y570-F574 HydrophobicContact CE2-CD1 4.33Å; Y570-F574 AromaticContact CE2-CE1 3.02Å; Y570-F574 HydrophobicContact CE2-CE1 3.02Å; Y570-F574 HydrophobicContact CE2-CE2 4.21Å; Y570-F574 AromaticContact CE2-CZ 2.96Å; Y570-F574 HydrophobicContact CE2-CZ 2.96Å; Y570-F574 HydrophobicContact CG-CE1 4.29Å; Y570-F574 AromaticContact CZ-CE1 3.75Å; Y570-F574 AromaticContact CZ-CZ 3.22Å; Y570-F574 VanDerWaalsContact OH-CZ 3.24Å; Y570-F574 WeakPolarHBondContact OH-CZ 3.41Å; Y570-L576 HydrophobicContact CD1-CD2 4.42Å; Y570-L576 HydrophobicContact CE1-CD2 3.73Å; Y570-W610 VanDerWaalsContact CA-CE3 3.5Å
571G89.8Confident93.6Very high1 Ų125.7 Ų25.71%0.0113%0.13CC..G310 helixtrans-62.2-7.6168.700000114.2S569 L573 G582S569-G571 PolarHBondContact O-N 2.84Å; S569-G571 PolarHBondContact OG-N 2.86Å; S569-G571 VanDerWaalsContact OG-N 3.12Å; G571-L573 VanDerWaalsContact C-N 3.27Å; G571-G582 VanDerWaalsContact O-CA 3.27Å; G571-G582 WeakPolarHBondContact O-CA 3.47Å
572G91.1Very high93.5Very high12 Ų1224.2 Ų24.212%0.12412%0.121CC..G310 helixtrans-72.7-14167.400000114.4S569 Y570 C586S569-G572 PolarHBondContact O-N 2.94Å; Y570-G572 PolarHBondContact O-N 3.5Å; Y570-G572 VanDerWaalsContact O-N 3.1Å; G572-C586 WeakPolarHBondContact O-CB 3.37Å
573L89.6Confident93.4Very high41 Ų4128 Ų2822%0.21514%0.138CC..SBendtrans-92.9-24.7178.6-75.1171.3000114Y570 G571 W610 M726 V727 N730Y570-L573 PolarHBondContact O-N 2.65Å; G571-L573 VanDerWaalsContact C-N 3.27Å; L573-W610 HydrophobicContact CD1-CH2 3.39Å; L573-W610 HydrophobicContact CD1-CZ3 3.56Å; L573-W610 HydrophobicContact CD2-CH2 4.35Å; L573-W610 HydrophobicContact CG-CH2 3.54Å; L573-W610 HydrophobicContact CG-CZ2 4.44Å; L573-W610 HydrophobicContact CG-CZ3 4.19Å; L573-M726 HydrophobicContact CD1-CB 4.39Å; L573-M726 HydrophobicContact CD1-CE 4.03Å; L573-V727 HydrophobicContact CD2-CG2 3.98Å; L573-N730 VanDerWaalsContact O-CB 3.27Å; L573-N730 WeakPolarHBondContact O-CB 3.41Å
574F87.9Confident93.3Very high73 Ų7327.9 Ų27.932%0.3214%0.138SC..SBendtrans-155.9172.1-175.265.9-98000111.5Y570 L576 N730Y570-F574 HydrophobicContact CD2-CD1 4.37Å; Y570-F574 AromaticContact CD2-CE1 3.3Å; Y570-F574 HydrophobicContact CD2-CE1 3.3Å; Y570-F574 AromaticContact CD2-CZ 3.75Å; Y570-F574 HydrophobicContact CD2-CZ 3.75Å; Y570-F574 HydrophobicContact CE1-CZ 4.25Å; Y570-F574 HydrophobicContact CE2-CD1 4.33Å; Y570-F574 AromaticContact CE2-CE1 3.02Å; Y570-F574 HydrophobicContact CE2-CE1 3.02Å; Y570-F574 HydrophobicContact CE2-CE2 4.21Å; Y570-F574 AromaticContact CE2-CZ 2.96Å; Y570-F574 HydrophobicContact CE2-CZ 2.96Å; Y570-F574 HydrophobicContact CG-CE1 4.29Å; Y570-F574 AromaticContact CZ-CE1 3.75Å; Y570-F574 AromaticContact CZ-CZ 3.22Å; Y570-F574 VanDerWaalsContact OH-CZ 3.24Å; Y570-F574 WeakPolarHBondContact OH-CZ 3.41Å; F574-L576 HydrophobicContact CE2-CB 4.46Å; F574-L576 PolarHBondContact O-N 2.98Å; F574-L576 VanDerWaalsContact O-N 3.09Å; F574-N730 WeakPolarHBondContact CB-OD1 3.41Å
575Y88.8Confident93.2Very high138 Ų13828.7 Ų28.754%0.54114%0.142SC..  trans-62.6112.5-179.3-172.5-84.2000112.3F577 P579Y575-F577 PolarHBondContact OH-O 3.03Å; Y575-F577 VanDerWaalsContact OH-O 3.05Å; Y575-P579 HydrophobicContact CE2-CG 4.11Å
576L87.8Confident93.1Very high6 Ų631.8 Ų31.83%0.03116%0.163CC..  trans-132.8128171.7-171.967.1000109.3Y570 F574 N578 Y581 F633Y570-L576 HydrophobicContact CD1-CD2 4.42Å; Y570-L576 HydrophobicContact CE1-CD2 3.73Å; F574-L576 HydrophobicContact CE2-CB 4.46Å; F574-L576 PolarHBondContact O-N 2.98Å; F574-L576 VanDerWaalsContact O-N 3.09Å; L576-N578 VanDerWaalsContact C-N 3.26Å; L576-N578 PolarHBondContact O-N 2.92Å; L576-Y581 HydrophobicContact CB-CD1 4.48Å; L576-Y581 HydrophobicContact CB-CE1 4.47Å; L576-Y581 HydrophobicContact CD2-CE1 4.02Å; L576-Y581 HydrophobicContact CG-CE1 4.49Å; L576-F633 HydrophobicContact CD1-CD1 4.01Å
577F88.2Confident93Very high22 Ų2233.3 Ų33.310%0.09618%0.176CC..SBendtrans62.3-72.6-173.6-50.1-57.7000114.7I518 Y575 Y581 V632 F633I518-F577 HydrophobicContact CG2-CB 3.86Å; I518-F577 HydrophobicContact CG2-CD1 4.03Å; I518-F577 HydrophobicContact CG2-CD2 3.99Å; I518-F577 HydrophobicContact CG2-CG 3.7Å; Y575-F577 PolarHBondContact OH-O 3.03Å; Y575-F577 VanDerWaalsContact OH-O 3.05Å; F577-Y581 AromaticContact CD2-CD1 3.86Å; F577-Y581 HydrophobicContact CD2-CD1 3.86Å; F577-Y581 HydrophobicContact CD2-CD2 4.44Å; F577-Y581 AromaticContact CD2-CE1 3.98Å; F577-Y581 HydrophobicContact CD2-CE1 3.98Å; F577-Y581 HydrophobicContact CD2-CE2 4.5Å; F577-Y581 HydrophobicContact CD2-CG 4.1Å; F577-Y581 HydrophobicContact CE2-CE1 4.24Å; F577-V632 HydrophobicContact CD1-CG1 3.69Å; F577-V632 HydrophobicContact CE1-CG1 4.21Å; F577-F633 HydrophobicContact CE1-CD1 4.35Å; F577-F633 AromaticContact CE1-CE1 3.52Å; F577-F633 HydrophobicContact CE1-CE1 3.52Å; F577-F633 AromaticContact CE1-CE2 3.93Å; F577-F633 HydrophobicContact CE1-CE2 3.93Å; F577-F633 AromaticContact CE1-CZ 3.28Å; F577-F633 HydrophobicContact CE1-CZ 3.28Å; F577-F633 HydrophobicContact CE2-CE1 4.46Å; F577-F633 HydrophobicContact CZ-CD1 4.32Å; F577-F633 AromaticContact CZ-CE1 3.31Å; F577-F633 HydrophobicContact CZ-CE1 3.31Å; F577-F633 HydrophobicContact CZ-CE2 4.48Å; F577-F633 AromaticContact CZ-CZ 3.43Å; F577-F633 HydrophobicContact CZ-CZ 3.43Å; F577-F633 VanDerWaalsContact CZ-CZ 3.43Å
578N91.1Very high93Very high6 Ų632.9 Ų32.93%0.03217%0.173CC..  trans-155165.3-174.977.674.4000111F533 L576 A580 Y581 G582F533-N578 HydrophobicContact CE1-CB 4.03Å; F533-N578 WeakPolarHBondContact CE1-ND2 3.13Å; F533-N578 WeakPolarHBondContact CE1-OD1 3.3Å; F533-N578 HydrophobicContact CZ-CB 4.43Å; F533-N578 WeakPolarHBondContact CZ-ND2 3.32Å; L576-N578 VanDerWaalsContact C-N 3.26Å; L576-N578 PolarHBondContact O-N 2.92Å; N578-A580 PolarHBondContact O-N 2.69Å; N578-A580 VanDerWaalsContact OD1-CA 3.27Å; N578-A580 WeakPolarHBondContact OD1-CA 3.4Å; N578-A580 WeakPolarHBondContact OD1-CB 3.27Å; N578-A580 PolarHBondContact OD1-N 3.48Å; N578-Y581 PolarHBondContact O-N 3.12Å; N578-Y581 PolarHBondContact OD1-N 3.03Å; N578-G582 PolarHBondContact O-N 3.22Å
579P93.2Very high93.1Very high41 Ų4133.6 Ų33.627%0.26618%0.177SC..Hα-helixtrans-60.7-42.8179.9-24.435.4000114.8F526 Y575 Y581 G582 I583F526-P579 HydrophobicContact CB-CG 3.66Å; F526-P579 HydrophobicContact CG-CG 4.23Å; Y575-P579 HydrophobicContact CE2-CG 4.11Å; P579-Y581 VanDerWaalsContact C-N 3.29Å; P579-Y581 PolarHBondContact O-N 2.78Å; P579-G582 PolarHBondContact O-N 3.16Å; P579-I583 HydrophobicContact CB-CD1 4.14Å; P579-I583 WeakPolarHBondContact O-CB 3.27Å; P579-I583 WeakPolarHBondContact O-CD1 3.43Å; P579-I583 WeakPolarHBondContact O-CG1 3.4Å; P579-I583 PolarHBondContact O-N 3.34Å
580A95.1Very high93.3Very high7 Ų740 Ų406%0.05820%0.199CC..Hα-helixtrans-58.8-39-179.200000112.4F533 W534 I537 N538 N578 G584F533-A580 HydrophobicContact CD1-CB 4.42Å; F533-A580 HydrophobicContact CE1-CB 4.33Å; W534-A580 HydrophobicContact CD2-CB 4.46Å; W534-A580 HydrophobicContact CE3-CB 3.61Å; W534-A580 HydrophobicContact CZ3-CB 4.12Å; I537-A580 HydrophobicContact CB-CB 4.28Å; I537-A580 HydrophobicContact CG1-CB 4.29Å; I537-A580 HydrophobicContact CG2-CB 4.33Å; N538-A580 PolarHBondContact ND2-O 3.02Å; N538-A580 VanDerWaalsContact ND2-O 3.08Å; N538-A580 PolarHBondContact OD1-O 2.8Å; N578-A580 PolarHBondContact O-N 2.69Å; N578-A580 VanDerWaalsContact OD1-CA 3.27Å; N578-A580 WeakPolarHBondContact OD1-CA 3.4Å; N578-A580 WeakPolarHBondContact OD1-CB 3.27Å; N578-A580 PolarHBondContact OD1-N 3.48Å; A580-G584 PolarHBondContact O-N 3.48Å
581Y94.7Very high93.7Very high27 Ų2737.6 Ų37.611%0.10619%0.19CC..Hα-helixtrans-66.1-53.4175.4177.9-94.6000112F512 I518 S569 L576 F577 N578 P579 I583 G584 K585F512-Y581 HydrophobicContact CZ-CD2 4.1Å; F512-Y581 HydrophobicContact CZ-CE2 4.28Å; I518-Y581 HydrophobicContact CD1-CD2 3.5Å; I518-Y581 VanDerWaalsContact CD1-CD2 3.5Å; I518-Y581 HydrophobicContact CD1-CE2 4.08Å; I518-Y581 HydrophobicContact CD1-CG 4.22Å; S569-Y581 WeakPolarHBondContact CB-OH 3.33Å; S569-Y581 PolarHBondContact OG-OH 2.97Å; L576-Y581 HydrophobicContact CB-CD1 4.48Å; L576-Y581 HydrophobicContact CB-CE1 4.47Å; L576-Y581 HydrophobicContact CD2-CE1 4.02Å; L576-Y581 HydrophobicContact CG-CE1 4.49Å; F577-Y581 AromaticContact CD2-CD1 3.86Å; F577-Y581 HydrophobicContact CD2-CD1 3.86Å; F577-Y581 HydrophobicContact CD2-CD2 4.44Å; F577-Y581 AromaticContact CD2-CE1 3.98Å; F577-Y581 HydrophobicContact CD2-CE1 3.98Å; F577-Y581 HydrophobicContact CD2-CE2 4.5Å; F577-Y581 HydrophobicContact CD2-CG 4.1Å; F577-Y581 HydrophobicContact CE2-CE1 4.24Å; N578-Y581 PolarHBondContact O-N 3.12Å; N578-Y581 PolarHBondContact OD1-N 3.03Å; P579-Y581 VanDerWaalsContact C-N 3.29Å; P579-Y581 PolarHBondContact O-N 2.78Å; Y581-I583 PolarHBondContact O-N 3.49Å; Y581-G584 PolarHBondContact O-N 3.4Å; Y581-K585 HydrophobicContact CE1-CG 4.15Å; Y581-K585 HydrophobicContact CE2-CG 4.23Å; Y581-K585 WeakPolarHBondContact O-CG 3.34Å; Y581-K585 PolarHBondContact O-N 3.25Å
582G94.4Very high94.1Very high12 Ų1237.6 Ų37.612%0.12419%0.19CC..Hα-helixtrans-62.7-43.4-177.400000112.3G571 N578 P579 K585 C586G571-G582 VanDerWaalsContact O-CA 3.27Å; G571-G582 WeakPolarHBondContact O-CA 3.47Å; N578-G582 PolarHBondContact O-N 3.22Å; P579-G582 PolarHBondContact O-N 3.16Å; G582-K585 PolarHBondContact O-N 3.13Å; G582-C586 WeakPolarHBondContact O-CB 3.42Å; G582-C586 PolarHBondContact O-N 3.09Å
583I96Very high94.4Very high89 Ų8938.2 Ų38.246%0.45619%0.194SC..Hα-helixtrans-63.3-44.1175.9-62.8162000110.4W534 P579 Y581 K585 C586 A587W534-I583 HydrophobicContact CH2-CB 4.07Å; W534-I583 HydrophobicContact CH2-CD1 4.41Å; W534-I583 HydrophobicContact CH2-CG2 3.62Å; W534-I583 HydrophobicContact CZ3-CB 4.14Å; W534-I583 HydrophobicContact CZ3-CD1 3.96Å; W534-I583 HydrophobicContact CZ3-CG2 4.17Å; P579-I583 HydrophobicContact CB-CD1 4.14Å; P579-I583 WeakPolarHBondContact O-CB 3.27Å; P579-I583 WeakPolarHBondContact O-CD1 3.43Å; P579-I583 WeakPolarHBondContact O-CG1 3.4Å; P579-I583 PolarHBondContact O-N 3.34Å; Y581-I583 PolarHBondContact O-N 3.49Å; I583-K585 VanDerWaalsContact C-N 3.35Å; I583-K585 PolarHBondContact O-N 2.9Å; I583-C586 PolarHBondContact O-N 2.79Å; I583-A587 VanDerWaalsContact O-CB 3.26Å; I583-A587 WeakPolarHBondContact O-CB 3.29Å; I583-A587 PolarHBondContact O-N 3.28Å
584G96.7Very high94.9Very high3 Ų339.9 Ų39.93%0.03120%0.203CC..Hα-helixtrans-55.9-47.1177.100000113N538 A580 Y581 A587 C588N538-G584 WeakPolarHBondContact OD1-CA 3.43Å; A580-G584 PolarHBondContact O-N 3.48Å; Y581-G584 PolarHBondContact O-N 3.4Å; G584-A587 PolarHBondContact O-N 2.83Å; G584-C588 PolarHBondContact O-N 2.8Å; G584-C588 PolarHBondContact O-SG 3.38Å; G584-C588 VanDerWaalsContact O-SG 3.4Å
585K96.7Very high95.4Very high18 Ų1838 Ų388%0.07820%0.199CC..Hα-helixtrans-70.2-40.6179.2-62.1-57.4-175.5-171.90112.6I567 S568 Y581 G582 I583 A587 C588 D589I567-K585 PolarHBondContact O-NZ 3.08Å; S568-K585 PolarHBondContact OG-O 3.05Å; Y581-K585 HydrophobicContact CE1-CG 4.15Å; Y581-K585 HydrophobicContact CE2-CG 4.23Å; Y581-K585 WeakPolarHBondContact O-CG 3.34Å; Y581-K585 PolarHBondContact O-N 3.25Å; G582-K585 PolarHBondContact O-N 3.13Å; I583-K585 VanDerWaalsContact C-N 3.35Å; I583-K585 PolarHBondContact O-N 2.9Å; K585-A587 VanDerWaalsContact C-N 3.3Å; K585-A587 PolarHBondContact O-N 2.86Å; K585-C588 PolarHBondContact O-N 3.03Å; K585-D589 VanDerWaalsContact O-CG 3.28Å; K585-D589 PolarHBondContact O-N 2.96Å; K585-D589 VanDerWaalsContact O-N 3.1Å
586C96.6Very high95.8Very high65 Ų6531.5 Ų31.544%0.43917%0.174SC..Hα-helixtrans-58.4-42.6171.7-168.80000111.8G572 G582 I583 D589 R590G572-C586 WeakPolarHBondContact O-CB 3.37Å; G582-C586 WeakPolarHBondContact O-CB 3.42Å; G582-C586 PolarHBondContact O-N 3.09Å; I583-C586 PolarHBondContact O-N 2.79Å; C586-D589 PolarHBondContact O-N 3.3Å; C586-R590 WeakPolarHBondContact O-CB 3.26Å; C586-R590 PolarHBondContact O-N 3.23Å
587A97.8Very high96.3Very high32 Ų3237.2 Ų37.226%0.26420%0.204SC..Hα-helixtrans-66.6-39.2177.900000112.2L542 I583 G584 K585 D589 R590 M591L542-A587 HydrophobicContact CD1-CB 3.6Å; L542-A587 HydrophobicContact CD2-CB 3.83Å; L542-A587 HydrophobicContact CG-CB 4.38Å; I583-A587 VanDerWaalsContact O-CB 3.26Å; I583-A587 WeakPolarHBondContact O-CB 3.29Å; I583-A587 PolarHBondContact O-N 3.28Å; G584-A587 PolarHBondContact O-N 2.83Å; K585-A587 VanDerWaalsContact C-N 3.3Å; K585-A587 PolarHBondContact O-N 2.86Å; A587-D589 VanDerWaalsContact C-N 3.31Å; A587-D589 PolarHBondContact O-N 3.4Å; A587-R590 PolarHBondContact O-N 3.04Å; A587-M591 VanDerWaalsContact O-CB 3.26Å; A587-M591 WeakPolarHBondContact O-CB 3.43Å; A587-M591 PolarHBondContact O-N 2.8Å
588C98Very high96.8Very high0 Ų043.9 Ų43.90%024%0.235CC..Hα-helixtrans-61.3-38.4172.8-73.50000112.7G541 N566 G584 K585 A592G541-C588 PolarHBondContact O-SG 2.97Å; G541-C588 VanDerWaalsContact O-SG 3.36Å; N566-C588 PolarHBondContact ND2-O 2.95Å; N566-C588 VanDerWaalsContact ND2-O 3.14Å; G584-C588 PolarHBondContact O-N 2.8Å; G584-C588 PolarHBondContact O-SG 3.38Å; G584-C588 VanDerWaalsContact O-SG 3.4Å; K585-C588 PolarHBondContact O-N 3.03Å; C588-A592 PolarHBondContact O-N 3.04Å; C588-A592 VanDerWaalsContact O-N 3.14Å
589D97.7Very high97.1Very high20 Ų2044.3 Ų44.311%0.10724%0.237CC..Hα-helixtrans-72-40.7178.1-61.1-30.5000111.9S568 K585 C586 A587 A592 A593 S608 W610 V673S568-D589 WeakPolarHBondContact CB-OD1 3.35Å; S568-D589 PolarHBondContact OG-OD1 3.04Å; S568-D589 PolarHBondContact OG-OD2 3.47Å; K585-D589 VanDerWaalsContact O-CG 3.28Å; K585-D589 PolarHBondContact O-N 2.96Å; K585-D589 VanDerWaalsContact O-N 3.1Å; C586-D589 PolarHBondContact O-N 3.3Å; A587-D589 VanDerWaalsContact C-N 3.31Å; A587-D589 PolarHBondContact O-N 3.4Å; D589-A592 PolarHBondContact O-N 3.42Å; D589-A593 PolarHBondContact O-N 3.47Å; D589-S608 WeakPolarHBondContact CA-OG 3.24Å; D589-S608 WeakPolarHBondContact OD1-CB 3.36Å; D589-S608 PolarHBondContact OD1-OG 2.95Å; D589-W610 PolarHBondContact OD1-NE1 2.97Å; D589-W610 WeakPolarHBondContact OD2-CZ2 3.26Å; D589-W610 PolarHBondContact OD2-NE1 2.84Å; D589-V673 HydrophobicContact CB-CG2 3.95Å
590R97.8Very high97.3Very high152 Ų15248.3 Ų48.357%0.57425%0.251SS*.Hα-helixtrans-62.3-43.4172.7176.552.660.4-175.55.8111.5C586 A587 A592 A593 D594C586-R590 WeakPolarHBondContact O-CB 3.26Å; C586-R590 PolarHBondContact O-N 3.23Å; A587-R590 PolarHBondContact O-N 3.04Å; R590-A592 PolarHBondContact O-N 3.2Å; R590-A593 PolarHBondContact O-N 3.31Å; R590-D594 WeakPolarHBondContact CD-OD1 3.5Å; R590-D594 WeakPolarHBondContact CD-OD2 3.42Å; R590-D594 IonicContact CZ-OD1 2.91Å; R590-D594 IonicContact NE-OD1 2.84Å; R590-D594 IonicContact NH1-OD1 2.84Å; R590-D594 PolarHBondContact NH1-OD1 3.19Å; R590-D594 PolarHBondContact O-N 2.88Å
591M98.4Very high97.3Very high24 Ų2454.6 Ų54.612%0.11828%0.283CS..Hα-helixtrans-56.7-48.5176-178-169-52.600111.2L542 Y546 A587 A593 D594 C595 F606L542-M591 HydrophobicContact CD1-CE 3.62Å; Y546-M591 HydrophobicContact CD2-CE 4.26Å; Y546-M591 HydrophobicContact CD2-CG 4.4Å; Y546-M591 HydrophobicContact CD2-SD 4.11Å; Y546-M591 HydrophobicContact CG-CE 4.43Å; A587-M591 VanDerWaalsContact O-CB 3.26Å; A587-M591 WeakPolarHBondContact O-CB 3.43Å; A587-M591 PolarHBondContact O-N 2.8Å; M591-A593 VanDerWaalsContact C-N 3.34Å; M591-A593 PolarHBondContact O-N 3.49Å; M591-D594 PolarHBondContact O-N 3.24Å; M591-C595 WeakPolarHBondContact O-CB 3.5Å; M591-C595 PolarHBondContact O-N 2.93Å; M591-C595 PolarHBondContact O-SG 3.5Å; M591-F606 HydrophobicContact CG-CE1 4.34Å; M591-F606 HydrophobicContact CG-CZ 4.18Å; M591-F606 HydrophobicContact SD-CZ 4.22Å
592A98.5Very high97.5Very high1 Ų155.8 Ų55.81%0.00829%0.29CS..Hα-helixtrans-61.4-42.1177.100000112C588 D589 R590 A596 F606C588-A592 PolarHBondContact O-N 3.04Å; C588-A592 VanDerWaalsContact O-N 3.14Å; D589-A592 PolarHBondContact O-N 3.42Å; R590-A592 PolarHBondContact O-N 3.2Å; A592-A596 WeakPolarHBondContact O-CB 3.44Å; A592-A596 PolarHBondContact O-N 3.34Å; A592-A596 VanDerWaalsContact O-N 3.11Å; A592-F606 HydrophobicContact CB-CD2 3.72Å; A592-F606 HydrophobicContact CB-CE2 3.82Å; A592-F606 HydrophobicContact CB-CG 4.32Å; A592-F606 HydrophobicContact CB-CZ 4.48Å
593A98.3Very high97.6Very high26 Ų2659.4 Ų59.422%0.21531%0.306CS..Hα-helixtrans-63.7-47.3179.200000113.1D589 R590 M591D589-A593 PolarHBondContact O-N 3.47Å; R590-A593 PolarHBondContact O-N 3.31Å; M591-A593 VanDerWaalsContact C-N 3.34Å; M591-A593 PolarHBondContact O-N 3.49Å
594D98.5Very high97.7Very high75 Ų7555.2 Ų55.240%0.40129%0.285SS..Hα-helixtrans-76.8-46.6-174.4-67.92.9000110.8R590 M591 A596 L597R590-D594 WeakPolarHBondContact CD-OD1 3.5Å; R590-D594 WeakPolarHBondContact CD-OD2 3.42Å; R590-D594 IonicContact CZ-OD1 2.91Å; R590-D594 IonicContact NE-OD1 2.84Å; R590-D594 IonicContact NH1-OD1 2.84Å; R590-D594 PolarHBondContact NH1-OD1 3.19Å; R590-D594 PolarHBondContact O-N 2.88Å; M591-D594 PolarHBondContact O-N 3.24Å; D594-A596 PolarHBondContact O-N 2.91Å; D594-L597 WeakPolarHBondContact O-CB 3.2Å; D594-L597 PolarHBondContact O-N 3.37Å
595C98.6Very high97.8Very high33 Ų3355 Ų5522%0.22328%0.283CS..Hα-helixtrans-62.9-31.2176.9-65.70000112.2M591 L597 E598 L599 F606M591-C595 WeakPolarHBondContact O-CB 3.5Å; M591-C595 PolarHBondContact O-N 2.93Å; M591-C595 PolarHBondContact O-SG 3.5Å; C595-L597 PolarHBondContact O-N 3.12Å; C595-E598 PolarHBondContact O-N 3.07Å; C595-L599 WeakPolarHBondContact O-CB 3.34Å; C595-L599 VanDerWaalsContact O-CG 3.31Å; C595-L599 WeakPolarHBondContact O-CG 3.35Å; C595-L599 PolarHBondContact O-N 3.12Å; C595-F606 HydrophobicContact CB-CD1 3.44Å; C595-F606 VanDerWaalsContact CB-CD1 3.44Å; C595-F606 HydrophobicContact CB-CE1 3.65Å
596A98.6Very high97.9Very high3 Ų354.2 Ų54.23%0.02528%0.28CS..Hα-helixtrans-61.5-27.4174.900000113.6A592 D594 K600 F606 T670 G671A592-A596 WeakPolarHBondContact O-CB 3.44Å; A592-A596 PolarHBondContact O-N 3.34Å; A592-A596 VanDerWaalsContact O-N 3.11Å; D594-A596 PolarHBondContact O-N 2.91Å; A596-K600 WeakPolarHBondContact O-CB 3.02Å; A596-K600 PolarHBondContact O-N 2.96Å; A596-K600 VanDerWaalsContact O-N 3.07Å; A596-F606 HydrophobicContact CB-CB 4.26Å; A596-T670 HydrophobicContact CB-CG2 4.39Å; A596-T670 WeakPolarHBondContact CB-OG1 3.5Å; A596-G671 VanDerWaalsContact CB-CA 3.42Å; A596-G671 VanDerWaalsContact CB-N 3.3Å
597L98Very high98Very high126 Ų12651.1 Ų51.166%0.6626%0.259SS*.Hα-helixtrans-66.6-45.6177.3-67.4171.1000111D594 C595 K600D594-L597 WeakPolarHBondContact O-CB 3.2Å; D594-L597 PolarHBondContact O-N 3.37Å; C595-L597 PolarHBondContact O-N 3.12Å; L597-K600 WeakPolarHBondContact O-CB 3.09Å
598E97.5Very high98.1Very high161 Ų16149.6 Ų49.675%0.75225%0.246SC*.Hα-helixtrans-68.5-41.9178.1-63.8-179.1-167.100111.4C595 K600C595-E598 PolarHBondContact O-N 3.07Å; E598-K600 VanDerWaalsContact C-N 3.27Å; E598-K600 PolarHBondContact O-N 3.43Å
599L98.4Very high98.1Very high15 Ų1549.6 Ų49.68%0.07925%0.246CC..Hα-helixtrans-73.7-14.4-178.6-70.4174.5000114.1A553 V557 I564 C595 N601 E602 N603 V604 F606A553-L599 HydrophobicContact CB-CD2 4.06Å; V557-L599 HydrophobicContact CG2-CD2 3.8Å; I564-L599 HydrophobicContact CD1-CD1 4.31Å; C595-L599 WeakPolarHBondContact O-CB 3.34Å; C595-L599 VanDerWaalsContact O-CG 3.31Å; C595-L599 WeakPolarHBondContact O-CG 3.35Å; C595-L599 PolarHBondContact O-N 3.12Å; L599-N601 VanDerWaalsContact C-N 3.35Å; L599-N601 PolarHBondContact O-N 3.14Å; L599-E602 CarbonylContact O-C 3.52Å; L599-E602 WeakPolarHBondContact O-CA 2.94Å; L599-E602 WeakPolarHBondContact O-CB 3.02Å; L599-E602 PolarHBondContact O-N 3.05Å; L599-N603 PolarHBondContact O-N 2.95Å; L599-V604 HydrophobicContact CB-CB 4.11Å; L599-V604 WeakPolarHBondContact CB-O 3.13Å; L599-V604 HydrophobicContact CD1-CB 4.5Å; L599-V604 HydrophobicContact CD1-CG1 4.11Å; L599-V604 HydrophobicContact CD2-CB 4.14Å; L599-V604 HydrophobicContact CD2-CG1 4.33Å; L599-V604 HydrophobicContact CG-CB 4.48Å; L599-V604 PolarHBondContact O-N 2.96Å; L599-F606 HydrophobicContact CD1-CB 4.11Å; L599-F606 HydrophobicContact CD1-CD1 4.03Å
600K97Very high98Very high126 Ų12649.2 Ų49.255%0.54824%0.243SC..G310 helixtrans-58.8-44.1-174.3-166.7175.3-178.6-179.20112.9A596 L597 E598 E602 N603 M667A596-K600 WeakPolarHBondContact O-CB 3.02Å; A596-K600 PolarHBondContact O-N 2.96Å; A596-K600 VanDerWaalsContact O-N 3.07Å; L597-K600 WeakPolarHBondContact O-CB 3.09Å; E598-K600 VanDerWaalsContact C-N 3.27Å; E598-K600 PolarHBondContact O-N 3.43Å; K600-E602 PolarHBondContact O-N 3.29Å; K600-N603 PolarHBondContact O-N 3.46Å; K600-M667 HydrophobicContact CB-CE 4.44Å; K600-M667 HydrophobicContact CG-CE 4.09Å
601N95.4Very high97.8Very high139 Ų13943 Ų4374%0.74322%0.223SC*.G310 helixtrans-74.6-14.9-179.9-65.4-23.3000112.6L599L599-N601 VanDerWaalsContact C-N 3.35Å; L599-N601 PolarHBondContact O-N 3.14Å
602E97.9Very high97.4Very high52 Ų5242.9 Ų42.924%0.24323%0.227CC..G310 helixtrans-94.41.6177-55.1-55.9134.600112.4V557 K560 L599 K600 V604V557-E602 HydrophobicContact CB-CB 4.46Å; V557-E602 HydrophobicContact CG1-CB 4.31Å; V557-E602 HydrophobicContact CG1-CG 3.99Å; V557-E602 WeakPolarHBondContact CG1-OE2 3.36Å; V557-E602 HydrophobicContact CG2-CB 3.92Å; V557-E602 HydrophobicContact CG2-CG 4.03Å; K560-E602 CarbonylContact C-O 3.33Å; K560-E602 VanDerWaalsContact CA-O 3.29Å; K560-E602 WeakPolarHBondContact CA-O 3.44Å; K560-E602 WeakPolarHBondContact CE-OE2 3.36Å; K560-E602 IonicContact NZ-OE1 3.94Å; K560-E602 PolarHBondContact NZ-OE1 2.91Å; K560-E602 IonicContact NZ-OE2 2.69Å; K560-E602 PolarHBondContact NZ-OE2 2.84Å; L599-E602 CarbonylContact O-C 3.52Å; L599-E602 WeakPolarHBondContact O-CA 2.94Å; L599-E602 WeakPolarHBondContact O-CB 3.02Å; L599-E602 PolarHBondContact O-N 3.05Å; K600-E602 PolarHBondContact O-N 3.29Å; E602-V604 VanDerWaalsContact C-N 3.26Å; E602-V604 HydrophobicContact CB-CG2 4.44Å; E602-V604 PolarHBondContact O-N 3.36Å
603N97.6Very high96.8Very high88 Ų8844.3 Ų44.347%0.47123%0.233SC..THydrogen-bonded Turntrans56.638.4-179.2-170.353.8000113.2K560 L599 K600 M667K560-N603 WeakPolarHBondContact O-CB 3.49Å; K560-N603 PolarHBondContact O-ND2 3.02Å; L599-N603 PolarHBondContact O-N 2.95Å; K600-N603 PolarHBondContact O-N 3.46Å; N603-M667 WeakPolarHBondContact OD1-CG 2.74Å
604V98.6Very high96.3Very high0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-112.7124.4172.8-179.10000108.4M556 L599 E602M556-V604 HydrophobicContact CB-CG1 4.01Å; M556-V604 HydrophobicContact CB-CG2 3.68Å; M556-V604 HydrophobicContact SD-CG1 3.81Å; L599-V604 HydrophobicContact CB-CB 4.11Å; L599-V604 WeakPolarHBondContact CB-O 3.13Å; L599-V604 HydrophobicContact CD1-CB 4.5Å; L599-V604 HydrophobicContact CD1-CG1 4.11Å; L599-V604 HydrophobicContact CD2-CB 4.14Å; L599-V604 HydrophobicContact CD2-CG1 4.33Å; L599-V604 HydrophobicContact CG-CB 4.48Å; L599-V604 PolarHBondContact O-N 2.96Å; E602-V604 VanDerWaalsContact C-N 3.26Å; E602-V604 HydrophobicContact CB-CG2 4.44Å; E602-V604 PolarHBondContact O-N 3.36Å
605A98.7Very high95.5Very high0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-88.1135.6177.500000110.3G562 L563 I564 I666 M667 T670G562-A605 PolarHBondContact O-N 2.91Å; L563-A605 CarbonylContact C-O 3.48Å; L563-A605 WeakPolarHBondContact CA-O 3.24Å; L563-A605 HydrophobicContact CD1-CB 3.86Å; I564-A605 PolarHBondContact N-O 2.91Å; A605-I666 HydrophobicContact CB-CG1 3.87Å; A605-I666 HydrophobicContact CB-CG2 4.11Å; A605-M667 HydrophobicContact CB-SD 3.85Å; A605-T670 WeakPolarHBondContact CA-OG1 3.29Å
606F98.8Very high94.5Very high1 Ų141.4 Ų41.40%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-129.5121.5171.3-163.7167.4000108.5A549 I564 M591 A592 C595 A596 L599 T670 G671A549-F606 HydrophobicContact CB-CE1 3.88Å; A549-F606 HydrophobicContact CB-CZ 3.97Å; I564-F606 HydrophobicContact CB-CB 4.33Å; I564-F606 HydrophobicContact CB-CD1 4.4Å; I564-F606 HydrophobicContact CB-CD2 3.71Å; I564-F606 HydrophobicContact CB-CE2 4.11Å; I564-F606 HydrophobicContact CB-CG 3.9Å; I564-F606 HydrophobicContact CD1-CD1 4.32Å; I564-F606 HydrophobicContact CG2-CD1 4.36Å; I564-F606 HydrophobicContact CG2-CD2 3.58Å; I564-F606 HydrophobicContact CG2-CE1 4.23Å; I564-F606 HydrophobicContact CG2-CE2 3.42Å; I564-F606 VanDerWaalsContact CG2-CE2 3.42Å; I564-F606 HydrophobicContact CG2-CG 4.09Å; I564-F606 HydrophobicContact CG2-CZ 3.78Å; I564-F606 WeakPolarHBondContact O-CA 3.15Å; I564-F606 WeakPolarHBondContact O-CD2 3.42Å; M591-F606 HydrophobicContact CG-CE1 4.34Å; M591-F606 HydrophobicContact CG-CZ 4.18Å; M591-F606 HydrophobicContact SD-CZ 4.22Å; A592-F606 HydrophobicContact CB-CD2 3.72Å; A592-F606 HydrophobicContact CB-CE2 3.82Å; A592-F606 HydrophobicContact CB-CG 4.32Å; A592-F606 HydrophobicContact CB-CZ 4.48Å; C595-F606 HydrophobicContact CB-CD1 3.44Å; C595-F606 VanDerWaalsContact CB-CD1 3.44Å; C595-F606 HydrophobicContact CB-CE1 3.65Å; A596-F606 HydrophobicContact CB-CB 4.26Å; L599-F606 HydrophobicContact CD1-CB 4.11Å; L599-F606 HydrophobicContact CD1-CD1 4.03Å; F606-T670 PolarHBondContact N-OG1 2.78Å; F606-T670 PolarHBondContact O-OG1 2.93Å; F606-G671 WeakPolarHBondContact O-CA 3.44Å; F606-G671 PolarHBondContact O-N 3.16Å
607L98.6Very high93.6Very high0 Ų043.9 Ų43.90%023%0.227CC..EExtended strand (participates in β ladder)trans-140.8164.1-178.559.785.3000112.2L563 I564 V565 N566 L660 I666 R672 L674L563-L607 HydrophobicContact CD1-CD2 3.83Å; L563-L607 HydrophobicContact CD1-CG 4.11Å; I564-L607 PolarHBondContact O-N 3.41Å; V565-L607 WeakPolarHBondContact CA-O 3.41Å; V565-L607 HydrophobicContact CB-CD1 4.31Å; V565-L607 HydrophobicContact CG1-CD1 3.9Å; V565-L607 HydrophobicContact CG2-CD1 3.9Å; V565-L607 HydrophobicContact CG2-CG 4.39Å; N566-L607 PolarHBondContact N-O 2.94Å; L607-L660 HydrophobicContact CD1-CD1 4.22Å; L607-L660 HydrophobicContact CD2-CD2 4.47Å; L607-I666 HydrophobicContact CD2-CD1 3.93Å; L607-R672 WeakPolarHBondContact CB-O 3.43Å; L607-L674 HydrophobicContact CD1-CD1 4.33Å; L607-L674 HydrophobicContact CD2-CD1 4.09Å
608S98.5Very high92.6Very high0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-105.5138.6168.8-79.80000110.4N566 D589 R672 V673 L674N566-S608 WeakPolarHBondContact O-CA 3.45Å; D589-S608 WeakPolarHBondContact CA-OG 3.24Å; D589-S608 WeakPolarHBondContact OD1-CB 3.36Å; D589-S608 PolarHBondContact OD1-OG 2.95Å; S608-R672 PolarHBondContact N-O 3.01Å; S608-V673 CarbonylContact O-C 2.99Å; S608-V673 WeakPolarHBondContact O-CA 3.47Å; S608-L674 PolarHBondContact O-N 3.21Å
609L98Very high91.6Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-112.3129172.5-170.971000109.1V565 N566 I567 S568 P611 A653 C656 V657 L660 L674 T676 V679V565-L609 HydrophobicContact CG1-CB 3.8Å; N566-L609 PolarHBondContact O-N 3.22Å; I567-L609 HydrophobicContact CD1-CB 4.2Å; I567-L609 HydrophobicContact CD1-CD2 4.09Å; S568-L609 PolarHBondContact N-O 3.09Å; L609-P611 WeakPolarHBondContact O-CD 3.26Å; L609-A653 HydrophobicContact CD2-CB 4.33Å; L609-C656 HydrophobicContact CD1-CB 4.2Å; L609-C656 HydrophobicContact CD2-CB 3.83Å; L609-V657 HydrophobicContact CD2-CG2 4.25Å; L609-L660 HydrophobicContact CD1-CD1 4.31Å; L609-L674 CarbonylContact C-O 3.52Å; L609-L674 WeakPolarHBondContact CA-O 3.33Å; L609-L674 HydrophobicContact CD1-CB 4.18Å; L609-T676 HydrophobicContact CD1-CG2 4.17Å; L609-T676 HydrophobicContact CD2-CG2 4.05Å; L609-T676 HydrophobicContact CG-CG2 3.97Å; L609-V679 HydrophobicContact CD1-CG2 4.08Å
610W96Very high90.5Very high12 Ų1236.5 Ų36.55%0.04519%0.193CC..EExtended strand (participates in β ladder)trans-106.9108176.4-72.85.2000109.9S568 Y570 L573 D589 V673 L674 F675 T676S568-W610 PolarHBondContact OG-NE1 3Å; Y570-W610 VanDerWaalsContact CA-CE3 3.5Å; L573-W610 HydrophobicContact CD1-CH2 3.39Å; L573-W610 HydrophobicContact CD1-CZ3 3.56Å; L573-W610 HydrophobicContact CD2-CH2 4.35Å; L573-W610 HydrophobicContact CG-CH2 3.54Å; L573-W610 HydrophobicContact CG-CZ2 4.44Å; L573-W610 HydrophobicContact CG-CZ3 4.19Å; D589-W610 PolarHBondContact OD1-NE1 2.97Å; D589-W610 WeakPolarHBondContact OD2-CZ2 3.26Å; D589-W610 PolarHBondContact OD2-NE1 2.84Å; W610-V673 HydrophobicContact CD2-CG1 3.38Å; W610-V673 HydrophobicContact CE3-CG1 3.89Å; W610-V673 HydrophobicContact CG-CG1 3.74Å; W610-V673 HydrophobicContact CH2-CG1 3.93Å; W610-V673 HydrophobicContact CZ2-CB 4.43Å; W610-V673 HydrophobicContact CZ2-CG1 3.53Å; W610-V673 HydrophobicContact CZ2-CG2 4.18Å; W610-V673 HydrophobicContact CZ3-CG1 4.14Å; W610-L674 PolarHBondContact N-O 2.82Å; W610-F675 HydrophobicContact CB-CD1 4.39Å; W610-F675 HydrophobicContact CE3-CD1 4.24Å; W610-F675 AromaticContact CE3-CE1 3.45Å; W610-F675 HydrophobicContact CE3-CE1 3.45Å; W610-F675 VanDerWaalsContact CE3-CE1 3.45Å; W610-F675 HydrophobicContact CE3-CE2 4.1Å; W610-F675 AromaticContact CE3-CZ 3.34Å; W610-F675 HydrophobicContact CE3-CZ 3.34Å; W610-F675 AromaticContact CZ3-CE1 3.98Å; W610-F675 HydrophobicContact CZ3-CE1 3.98Å; W610-F675 HydrophobicContact CZ3-CE2 4.27Å; W610-F675 AromaticContact CZ3-CZ 3.47Å; W610-F675 HydrophobicContact CZ3-CZ 3.47Å; W610-F675 VanDerWaalsContact CZ3-CZ 3.47Å; W610-F675 WeakPolarHBondContact O-CA 3.37Å; W610-T676 PolarHBondContact O-N 3.18Å; W610-T676 PolarHBondContact O-OG1 3.22Å
611P94.4Very high89.5Confident22 Ų2237 Ų3714%0.14320%0.197CC..  trans-67157.5167.9-14.229.9000111.7I439 I567 S568 L609 V614 T676I439-P611 HydrophobicContact CD1-CB 4.49Å; I439-P611 HydrophobicContact CD1-CG 4.13Å; I567-P611 HydrophobicContact CG2-CG 3.92Å; S568-P611 VanDerWaalsContact O-CD 3.25Å; S568-P611 WeakPolarHBondContact O-CD 3.04Å; L609-P611 WeakPolarHBondContact O-CD 3.26Å; P611-V614 HydrophobicContact CB-CG2 3.63Å; P611-T676 HydrophobicContact CB-CG2 4.31Å
612G89Confident88.6Confident20 Ų2032.3 Ų32.321%0.20617%0.171CC..  trans-72.3-159.8161.300000111.5V614 E648G612-V614 WeakPolarHBondContact O-CG2 3.16Å; G612-V614 PolarHBondContact O-N 3.14Å; G612-E648 WeakPolarHBondContact CA-OE1 3.28Å; G612-E648 PolarHBondContact N-OE1 2.85Å; G612-E648 VanDerWaalsContact N-OE1 3.11Å; G612-E648 PolarHBondContact N-OE2 3.49Å
613F87Confident87.8Confident31 Ų3132 Ų3214%0.13617%0.171CC..SBendtrans-70.8120.5169.1-165.7-86.3000108.5L626 L643 I644 A647 E648F613-L626 HydrophobicContact CZ-CD1 4.14Å; F613-L643 HydrophobicContact CB-CD1 3.76Å; F613-L643 HydrophobicContact CB-CD2 4.11Å; F613-L643 HydrophobicContact CB-CG 3.78Å; F613-L643 HydrophobicContact CD2-CD2 3.84Å; F613-L643 HydrophobicContact CD2-CG 4.18Å; F613-L643 HydrophobicContact CG-CD1 4.46Å; F613-L643 HydrophobicContact CG-CD2 4.1Å; F613-L643 HydrophobicContact CG-CG 3.92Å; F613-I644 HydrophobicContact CE1-CG1 3.91Å; F613-I644 HydrophobicContact CZ-CG1 4.17Å; F613-A647 HydrophobicContact CD1-CB 3.82Å; F613-A647 CarbonylContact O-C 3.31Å; F613-A647 VanDerWaalsContact O-CA 3.24Å; F613-A647 WeakPolarHBondContact O-CA 3.49Å; F613-A647 WeakPolarHBondContact O-CB 3.37Å; F613-E648 PolarHBondContact O-N 3.28Å
614V87.6Confident87.1Confident13 Ų1333.6 Ų33.68%0.07918%0.179CC..BIsolated β-bridgetrans-108.4132.1-174.3-172.80000110.8I439 P611 G612 T616 E648 V650I439-V614 HydrophobicContact CD1-CB 4.2Å; I439-V614 HydrophobicContact CD1-CG1 4.4Å; I439-V614 HydrophobicContact CD1-CG2 3.84Å; I439-V614 HydrophobicContact CG1-CB 4.19Å; I439-V614 HydrophobicContact CG1-CG1 3.83Å; I439-V614 HydrophobicContact CG1-CG2 4.11Å; P611-V614 HydrophobicContact CB-CG2 3.63Å; G612-V614 WeakPolarHBondContact O-CG2 3.16Å; G612-V614 PolarHBondContact O-N 3.14Å; V614-T616 HydrophobicContact CB-CG2 4.29Å; V614-T616 HydrophobicContact CG1-CG2 3.98Å; V614-T616 PolarHBondContact O-N 2.92Å; V614-E648 WeakPolarHBondContact CA-O 3.29Å; V614-E648 WeakPolarHBondContact CG1-O 3.32Å; V614-E648 HydrophobicContact CG2-CB 4.28Å; V614-V650 HydrophobicContact CG1-CG1 4.12Å
615S80.7Confident86.3Confident38 Ų3837.1 Ų37.127%0.26620%0.199SC..  trans-74.363.2174.8-58.50000112.2A647 E648S615-A647 WeakPolarHBondContact OG-CB 3.49Å; S615-E648 PolarHBondContact N-O 2.9Å
616T78.9Confident85.4Confident22 Ų2237.2 Ų37.214%0.13520%0.199CC..  trans-72.5153.4170.363.30000110.4I439 V614 T618 M619 M620 V650I439-T616 HydrophobicContact CG1-CG2 4.1Å; V614-T616 HydrophobicContact CB-CG2 4.29Å; V614-T616 HydrophobicContact CG1-CG2 3.98Å; V614-T616 PolarHBondContact O-N 2.92Å; T616-T618 PolarHBondContact O-N 3.3Å; T616-M619 PolarHBondContact O-N 3.17Å; T616-M619 WeakPolarHBondContact OG1-CB 3.45Å; T616-M619 WeakPolarHBondContact OG1-CG 3.47Å; T616-M619 PolarHBondContact OG1-N 3.27Å; T616-M620 VanDerWaalsContact O-CG 3.29Å; T616-M620 WeakPolarHBondContact O-CG 3.46Å; T616-M620 PolarHBondContact O-N 3.22Å; T616-V650 HydrophobicContact CG2-CG1 4.18Å
617E79.9Confident84.7Confident55 Ų5538.4 Ų38.426%0.25721%0.205SC..Hα-helixtrans-54.6-41.3179.2-53.389.7154.500110.7G438 R441 M620 H621G438-E617 WeakPolarHBondContact CA-OE2 3.3Å; G438-E617 PolarHBondContact N-OE1 3.22Å; G438-E617 PolarHBondContact N-OE2 2.97Å; R441-E617 IonicContact NH1-OE1 3.23Å; E617-M620 PolarHBondContact O-N 3.1Å; E617-H621 WeakPolarHBondContact O-CB 3.4Å; E617-H621 PolarHBondContact O-N 3.49Å
618T76.1Confident84Confident35 Ų3542.6 Ų42.622%0.21523%0.231CC..Hα-helixtrans-68.1-36.7177.6-53.10000113.1V515 T616 N622V515-T618 HydrophobicContact CG1-CG2 3.73Å; T616-T618 PolarHBondContact O-N 3.3Å; T618-N622 PolarHBondContact O-N 3.37Å; T618-N622 PolarHBondContact O-ND2 2.65Å
619M77Confident83.2Confident39 Ų3943 Ų4319%0.19223%0.233CC..Hα-helixtrans-71.2-41.4175.1-76.1-65.2-177.800111.5M519 T616 H621 N622 I623 L626M519-M619 HydrophobicContact CE-CE 4.01Å; M519-M619 HydrophobicContact CE-SD 3.87Å; T616-M619 PolarHBondContact O-N 3.17Å; T616-M619 WeakPolarHBondContact OG1-CB 3.45Å; T616-M619 WeakPolarHBondContact OG1-CG 3.47Å; T616-M619 PolarHBondContact OG1-N 3.27Å; M619-H621 VanDerWaalsContact C-N 3.29Å; M619-H621 PolarHBondContact O-N 2.96Å; M619-N622 CarbonylContact O-C 3.56Å; M619-N622 PolarHBondContact O-N 2.99Å; M619-N622 VanDerWaalsContact O-N 3.09Å; M619-I623 PolarHBondContact O-N 3.47Å; M619-L626 HydrophobicContact CB-CD1 4.46Å; M619-L626 HydrophobicContact SD-CD1 3.74Å; M619-L626 HydrophobicContact SD-CD2 4.3Å
620M74.3Confident82.4Confident73 Ų7343.5 Ų43.536%0.3624%0.236SC..Hα-helixtrans-61.9-37.9176.5-66.5-87.294.700111.4T616 E617 N622 I623 I644T616-M620 VanDerWaalsContact O-CG 3.29Å; T616-M620 WeakPolarHBondContact O-CG 3.46Å; T616-M620 PolarHBondContact O-N 3.22Å; E617-M620 PolarHBondContact O-N 3.1Å; M620-N622 PolarHBondContact O-N 3.28Å; M620-I623 HydrophobicContact CE-CD1 3.44Å; M620-I623 VanDerWaalsContact CE-CD1 3.44Å; M620-I623 HydrophobicContact CE-CG1 4.13Å; M620-I623 WeakPolarHBondContact O-CB 3.39Å; M620-I623 PolarHBondContact O-N 2.92Å; M620-I623 HydrophobicContact SD-CD1 4.31Å; M620-I644 HydrophobicContact CE-CG2 3.9Å
621H76.3Confident81.7Confident138 Ų13846.7 Ų46.764%0.63926%0.26SS*.Hα-helixtrans-67.7-22.5176-163.663.4000113.7E617 M619E617-H621 WeakPolarHBondContact O-CB 3.4Å; E617-H621 PolarHBondContact O-N 3.49Å; M619-H621 VanDerWaalsContact C-N 3.29Å; M619-H621 PolarHBondContact O-N 2.96Å
622N77.7Confident80.9Confident39 Ų3947.3 Ų47.321%0.20926%0.263CS..THydrogen-bonded Turntrans-107.320.2-179.3-71.6-68.8000112.8T618 M619 M620 D624 N625 L626T618-N622 PolarHBondContact O-N 3.37Å; T618-N622 PolarHBondContact O-ND2 2.65Å; M619-N622 CarbonylContact O-C 3.56Å; M619-N622 PolarHBondContact O-N 2.99Å; M619-N622 VanDerWaalsContact O-N 3.09Å; M620-N622 PolarHBondContact O-N 3.28Å; N622-D624 VanDerWaalsContact C-N 3.33Å; N622-D624 PolarHBondContact O-N 2.68Å; N622-N625 PolarHBondContact O-N 3.31Å; N622-L626 WeakPolarHBondContact O-CG 3.27Å; N622-L626 PolarHBondContact O-N 2.83Å
623I80.6Confident80.3Confident45 Ų4547.8 Ų47.823%0.23126%0.26CS..Hα-helixtrans-54.8-46.5-174.1-111.7176.3000112.3M619 M620 N625 L626 I627 I644M619-I623 PolarHBondContact O-N 3.47Å; M620-I623 HydrophobicContact CE-CD1 3.44Å; M620-I623 VanDerWaalsContact CE-CD1 3.44Å; M620-I623 HydrophobicContact CE-CG1 4.13Å; M620-I623 WeakPolarHBondContact O-CB 3.39Å; M620-I623 PolarHBondContact O-N 2.92Å; M620-I623 HydrophobicContact SD-CD1 4.31Å; I623-N625 VanDerWaalsContact C-N 3.32Å; I623-N625 PolarHBondContact O-N 3.26Å; I623-L626 WeakPolarHBondContact O-CB 3.46Å; I623-L626 PolarHBondContact O-N 3.4Å; I623-I627 HydrophobicContact CG2-CD1 4.15Å; I623-I627 WeakPolarHBondContact O-CG1 3.47Å; I623-I627 PolarHBondContact O-N 2.85Å; I623-I644 HydrophobicContact CD1-CG2 3.61Å; I623-I644 HydrophobicContact CG1-CD1 4.11Å; I623-I644 HydrophobicContact CG1-CG2 4.08Å
624D82.3Confident79.8Confident122 Ų12249.6 Ų49.665%0.65229%0.287SS*.Hα-helixtrans-66.8-41.9-176.6-64.9-35.2000110.3N622 L626 I627 V628N622-D624 VanDerWaalsContact C-N 3.33Å; N622-D624 PolarHBondContact O-N 2.68Å; D624-L626 VanDerWaalsContact C-N 3.28Å; D624-L626 PolarHBondContact O-N 2.85Å; D624-I627 PolarHBondContact O-N 3.48Å; D624-V628 WeakPolarHBondContact O-CB 3.49Å; D624-V628 VanDerWaalsContact O-CG2 3.29Å; D624-V628 WeakPolarHBondContact O-CG2 3.02Å; D624-V628 PolarHBondContact O-N 2.75Å
625N81.2Confident79.4Confident75 Ų7550.5 Ų50.540%0.40129%0.292SS..Hα-helixtrans-65.6-34.4177.9-143.90.8000111.2N622 I623 N629N622-N625 PolarHBondContact O-N 3.31Å; I623-N625 VanDerWaalsContact C-N 3.32Å; I623-N625 PolarHBondContact O-N 3.26Å; N625-N629 VanDerWaalsContact O-CB 3.27Å; N625-N629 WeakPolarHBondContact O-CB 3.22Å; N625-N629 PolarHBondContact O-N 3.34Å; N625-N629 PolarHBondContact O-ND2 2.83Å; N625-N629 PolarHBondContact OD1-ND2 3.41Å
626L80.5Confident79.5Confident1 Ų154.5 Ų54.51%0.00531%0.306CS..Hα-helixtrans-67.9-40.7173.6-79.4158.9000112.6M519 F613 M619 N622 I623 D624 N629 S630 F633M519-L626 HydrophobicContact CE-CD2 4.22Å; F613-L626 HydrophobicContact CZ-CD1 4.14Å; M619-L626 HydrophobicContact CB-CD1 4.46Å; M619-L626 HydrophobicContact SD-CD1 3.74Å; M619-L626 HydrophobicContact SD-CD2 4.3Å; N622-L626 WeakPolarHBondContact O-CG 3.27Å; N622-L626 PolarHBondContact O-N 2.83Å; I623-L626 WeakPolarHBondContact O-CB 3.46Å; I623-L626 PolarHBondContact O-N 3.4Å; D624-L626 VanDerWaalsContact C-N 3.28Å; D624-L626 PolarHBondContact O-N 2.85Å; L626-N629 CarbonylContact O-C 3.51Å; L626-N629 PolarHBondContact O-N 3.01Å; L626-S630 WeakPolarHBondContact O-CA 3.46Å; L626-S630 PolarHBondContact O-N 3.14Å; L626-F633 HydrophobicContact CD2-CE2 3.61Å; L626-F633 HydrophobicContact CD2-CZ 3.45Å; L626-F633 VanDerWaalsContact CD2-CZ 3.45Å
627I83.5Confident79.7Confident26 Ų2658 Ų5813%0.13332%0.321CS..Hα-helixtrans-65.4-50.9177.2-67.3166.7000109.4I623 D624 N629 S630 E637 M640 K641 I644I623-I627 HydrophobicContact CG2-CD1 4.15Å; I623-I627 WeakPolarHBondContact O-CG1 3.47Å; I623-I627 PolarHBondContact O-N 2.85Å; D624-I627 PolarHBondContact O-N 3.48Å; I627-N629 PolarHBondContact O-N 3.37Å; I627-N629 VanDerWaalsContact O-N 3.14Å; I627-S630 VanDerWaalsContact O-CB 3.24Å; I627-S630 WeakPolarHBondContact O-CB 3.37Å; I627-S630 PolarHBondContact O-N 3.13Å; I627-S630 PolarHBondContact O-OG 2.92Å; I627-E637 HydrophobicContact CG2-CB 4.01Å; I627-E637 HydrophobicContact CG2-CG 4Å; I627-M640 HydrophobicContact CG1-CG 4.24Å; I627-K641 HydrophobicContact CD1-CG 4.03Å; I627-K641 HydrophobicContact CG1-CG 4.38Å; I627-I644 HydrophobicContact CD1-CD1 4.32Å; I627-I644 HydrophobicContact CG1-CD1 3.94Å
628V83.5Confident79.7Confident89 Ų8961.3 Ų61.354%0.53934%0.336SS..Hα-helixtrans-60.4-27.8178.4172.20000112.4D624D624-V628 WeakPolarHBondContact O-CB 3.49Å; D624-V628 VanDerWaalsContact O-CG2 3.29Å; D624-V628 WeakPolarHBondContact O-CG2 3.02Å; D624-V628 PolarHBondContact O-N 2.75Å
629N82Confident79.9Confident9 Ų960.3 Ų60.35%0.04833%0.332CS..THydrogen-bonded Turntrans-10523.7177.3-62.6-66000113I522 K523 N625 L626 I627 S631 V632I522-N629 HydrophobicContact CD1-CB 4.42Å; I522-N629 HydrophobicContact CG2-CB 4.1Å; K523-N629 WeakPolarHBondContact CD-OD1 3.46Å; K523-N629 WeakPolarHBondContact CE-OD1 3.34Å; K523-N629 PolarHBondContact NZ-OD1 2.78Å; N625-N629 VanDerWaalsContact O-CB 3.27Å; N625-N629 WeakPolarHBondContact O-CB 3.22Å; N625-N629 PolarHBondContact O-N 3.34Å; N625-N629 PolarHBondContact O-ND2 2.83Å; N625-N629 PolarHBondContact OD1-ND2 3.41Å; L626-N629 CarbonylContact O-C 3.51Å; L626-N629 PolarHBondContact O-N 3.01Å; I627-N629 PolarHBondContact O-N 3.37Å; I627-N629 VanDerWaalsContact O-N 3.14Å; N629-S631 PolarHBondContact O-N 3.32Å; N629-V632 HydrophobicContact CB-CG2 4.17Å; N629-V632 VanDerWaalsContact O-CB 3.32Å; N629-V632 WeakPolarHBondContact O-CB 3.37Å; N629-V632 WeakPolarHBondContact O-CG2 3.48Å; N629-V632 PolarHBondContact O-N 3.05Å
630S82.6Confident80.3Confident9 Ų958.4 Ų58.46%0.06332%0.322CS..G310 helixtrans-56.2-29.7-177.670.30000113.3L626 I627 V632 F633 G634 L635 E637L626-S630 WeakPolarHBondContact O-CA 3.46Å; L626-S630 PolarHBondContact O-N 3.14Å; I627-S630 VanDerWaalsContact O-CB 3.24Å; I627-S630 WeakPolarHBondContact O-CB 3.37Å; I627-S630 PolarHBondContact O-N 3.13Å; I627-S630 PolarHBondContact O-OG 2.92Å; S630-V632 PolarHBondContact O-N 3.32Å; S630-F633 WeakPolarHBondContact O-CB 3.28Å; S630-F633 PolarHBondContact O-N 3.29Å; S630-G634 PolarHBondContact O-N 3.45Å; S630-L635 CarbonylContact C-O 3.57Å; S630-L635 VanDerWaalsContact CB-O 3.25Å; S630-L635 WeakPolarHBondContact CB-O 3.39Å; S630-L635 PolarHBondContact O-N 3.32Å; S630-L635 VanDerWaalsContact O-N 3.17Å; S630-L635 PolarHBondContact OG-O 3.35Å; S630-E637 PolarHBondContact OG-N 2.81Å
631S81.3Confident80.7Confident80 Ų8059 Ų5956%0.55932%0.323SS*.G310 helixtrans-60.8-26.2176.958.40000113.6N629 F633 G634 L635N629-S631 PolarHBondContact O-N 3.32Å; S631-F633 PolarHBondContact O-N 3.14Å; S631-G634 PolarHBondContact O-N 2.75Å; S631-L635 PolarHBondContact N-O 3.47Å
632V77.3Confident80.9Confident34 Ų3456 Ų5621%0.20631%0.312CS..G310 helixtrans-63.5-27173.9179.60000111.5K523 F577 N629 S630K523-V632 HydrophobicContact CG-CG2 4.23Å; F577-V632 HydrophobicContact CD1-CG1 3.69Å; F577-V632 HydrophobicContact CE1-CG1 4.21Å; N629-V632 HydrophobicContact CB-CG2 4.17Å; N629-V632 VanDerWaalsContact O-CB 3.32Å; N629-V632 WeakPolarHBondContact O-CB 3.37Å; N629-V632 WeakPolarHBondContact O-CG2 3.48Å; N629-V632 PolarHBondContact O-N 3.05Å; S630-V632 PolarHBondContact O-N 3.32Å
633F76.6Confident81.1Confident30 Ų3055.7 Ų55.713%0.13231%0.31CS..G310 helixtrans-93.31.8175-58.2-94.8000112.8L576 F577 L626 S630 S631 L635 M640L576-F633 HydrophobicContact CD1-CD1 4.01Å; F577-F633 HydrophobicContact CE1-CD1 4.35Å; F577-F633 AromaticContact CE1-CE1 3.52Å; F577-F633 HydrophobicContact CE1-CE1 3.52Å; F577-F633 AromaticContact CE1-CE2 3.93Å; F577-F633 HydrophobicContact CE1-CE2 3.93Å; F577-F633 AromaticContact CE1-CZ 3.28Å; F577-F633 HydrophobicContact CE1-CZ 3.28Å; F577-F633 HydrophobicContact CE2-CE1 4.46Å; F577-F633 HydrophobicContact CZ-CD1 4.32Å; F577-F633 AromaticContact CZ-CE1 3.31Å; F577-F633 HydrophobicContact CZ-CE1 3.31Å; F577-F633 HydrophobicContact CZ-CE2 4.48Å; F577-F633 AromaticContact CZ-CZ 3.43Å; F577-F633 HydrophobicContact CZ-CZ 3.43Å; F577-F633 VanDerWaalsContact CZ-CZ 3.43Å; L626-F633 HydrophobicContact CD2-CE2 3.61Å; L626-F633 HydrophobicContact CD2-CZ 3.45Å; L626-F633 VanDerWaalsContact CD2-CZ 3.45Å; S630-F633 WeakPolarHBondContact O-CB 3.28Å; S630-F633 PolarHBondContact O-N 3.29Å; S631-F633 PolarHBondContact O-N 3.14Å; F633-L635 VanDerWaalsContact C-N 3.29Å; F633-L635 HydrophobicContact CB-CD1 4.15Å; F633-L635 HydrophobicContact CB-CG 4.22Å; F633-M640 HydrophobicContact CB-CE 3.86Å; F633-M640 HydrophobicContact CD1-CE 4.28Å; F633-M640 HydrophobicContact CD2-CE 3.12Å; F633-M640 HydrophobicContact CE2-CE 3.58Å; F633-M640 HydrophobicContact CG-CE 3.51Å; F633-M640 HydrophobicContact CZ-CE 4.3Å
634G76.4Confident81.2Confident69 Ų6954.5 Ų54.571%0.71130%0.304SS*.THydrogen-bonded Turntrans67.228.1-172.500000113.5S630 S631S630-G634 PolarHBondContact O-N 3.45Å; S631-G634 PolarHBondContact O-N 2.75Å
635L78.7Confident81.1Confident33 Ų3352 Ų5217%0.17330%0.296CS..  trans-118.7147.6-177.7-63.8174.8000111.5S630 S631 F633 A639 M640 L643 K705S630-L635 CarbonylContact C-O 3.57Å; S630-L635 VanDerWaalsContact CB-O 3.25Å; S630-L635 WeakPolarHBondContact CB-O 3.39Å; S630-L635 PolarHBondContact O-N 3.32Å; S630-L635 VanDerWaalsContact O-N 3.17Å; S630-L635 PolarHBondContact OG-O 3.35Å; S631-L635 PolarHBondContact N-O 3.47Å; F633-L635 VanDerWaalsContact C-N 3.29Å; F633-L635 HydrophobicContact CB-CD1 4.15Å; F633-L635 HydrophobicContact CB-CG 4.22Å; L635-A639 HydrophobicContact CB-CB 4.38Å; L635-A639 HydrophobicContact CD2-CB 4.26Å; L635-M640 HydrophobicContact CD1-CE 4.24Å; L635-L643 HydrophobicContact CD1-CD2 3.84Å; L635-K705 HydrophobicContact CD2-CD 4.19Å
636E82.2Confident81.1Confident122 Ų12252.5 Ų52.557%0.5730%0.299SS*.  trans-72.5158.3163-65-175.6170.400110.4E638 A639 M640 N707E636-E638 VanDerWaalsContact C-N 3.28Å; E636-E638 PolarHBondContact O-N 3.17Å; E636-A639 PolarHBondContact O-N 3.02Å; E636-A639 VanDerWaalsContact O-N 3.14Å; E636-M640 PolarHBondContact O-N 2.85Å; E636-N707 PolarHBondContact OE2-ND2 3.33Å; E636-N707 VanDerWaalsContact OE2-ND2 3.15Å
637E83.2Confident81.3Confident95 Ų9552.7 Ų52.744%0.44430%0.3SS..Hα-helixtrans-56.4-42.1-177.5-69.6-171.7172.800112.2I627 S630 A639 M640 K641I627-E637 HydrophobicContact CG2-CB 4.01Å; I627-E637 HydrophobicContact CG2-CG 4Å; S630-E637 PolarHBondContact OG-N 2.81Å; E637-A639 PolarHBondContact O-N 2.99Å; E637-M640 WeakPolarHBondContact O-CB 3.21Å; E637-M640 PolarHBondContact O-N 3.01Å; E637-M640 VanDerWaalsContact O-N 3.12Å; E637-K641 WeakPolarHBondContact O-CG 3.42Å; E637-K641 PolarHBondContact O-N 2.75Å
638E81Confident81.7Confident124 Ų12451.9 Ų51.958%0.57930%0.296SS*.Hα-helixtrans-65.2-39.9179.6-126.557.4-155.700112E636 M640 K641 D642E636-E638 VanDerWaalsContact C-N 3.28Å; E636-E638 PolarHBondContact O-N 3.17Å; E638-M640 VanDerWaalsContact C-N 3.27Å; E638-M640 PolarHBondContact O-N 3.17Å; E638-K641 PolarHBondContact O-N 2.87Å; E638-K641 IonicContact OE1-NZ 3.68Å; E638-K641 PolarHBondContact OE1-NZ 2.64Å; E638-K641 VanDerWaalsContact OE1-NZ 3.14Å; E638-K641 IonicContact OE2-NZ 3.56Å; E638-K641 PolarHBondContact OE2-NZ 3.38Å; E638-D642 PolarHBondContact O-N 3.3Å
639A79.9Confident82.1Confident14 Ų1448.7 Ų48.712%0.11628%0.277CS..Hα-helixtrans-68.6-27.9174.700000112.3L635 E636 E637 L643L635-A639 HydrophobicContact CB-CB 4.38Å; L635-A639 HydrophobicContact CD2-CB 4.26Å; E636-A639 PolarHBondContact O-N 3.02Å; E636-A639 VanDerWaalsContact O-N 3.14Å; E637-A639 PolarHBondContact O-N 2.99Å; A639-L643 WeakPolarHBondContact O-CB 3.32Å; A639-L643 PolarHBondContact O-N 2.94Å
640M84.9Confident82.6Confident0 Ų049.6 Ų49.60%028%0.283CS..Hα-helixtrans-71.2-45172.5-177.958.482.700111.3I627 F633 L635 E636 E637 E638 D642 L643 I644I627-M640 HydrophobicContact CG1-CG 4.24Å; F633-M640 HydrophobicContact CB-CE 3.86Å; F633-M640 HydrophobicContact CD1-CE 4.28Å; F633-M640 HydrophobicContact CD2-CE 3.12Å; F633-M640 HydrophobicContact CE2-CE 3.58Å; F633-M640 HydrophobicContact CG-CE 3.51Å; F633-M640 HydrophobicContact CZ-CE 4.3Å; L635-M640 HydrophobicContact CD1-CE 4.24Å; E636-M640 PolarHBondContact O-N 2.85Å; E637-M640 WeakPolarHBondContact O-CB 3.21Å; E637-M640 PolarHBondContact O-N 3.01Å; E637-M640 VanDerWaalsContact O-N 3.12Å; E638-M640 VanDerWaalsContact C-N 3.27Å; E638-M640 PolarHBondContact O-N 3.17Å; M640-D642 VanDerWaalsContact C-N 3.28Å; M640-D642 PolarHBondContact O-N 2.83Å; M640-L643 WeakPolarHBondContact O-CB 3.37Å; M640-L643 PolarHBondContact O-N 3.25Å; M640-L643 VanDerWaalsContact O-N 3.12Å; M640-L643 HydrophobicContact SD-CD2 4.25Å; M640-I644 HydrophobicContact CG-CD1 3.88Å; M640-I644 WeakPolarHBondContact O-CD1 3.28Å; M640-I644 VanDerWaalsContact O-CG1 3.32Å; M640-I644 WeakPolarHBondContact O-CG1 3.18Å; M640-I644 PolarHBondContact O-N 3.24Å; M640-I644 HydrophobicContact SD-CD1 4.26Å; M640-I644 HydrophobicContact SD-CG1 4.41Å
641K83.4Confident83.2Confident84 Ų8450.1 Ų50.137%0.36529%0.285SS..Hα-helixtrans-57.1-43.2174.2-68.9171.9-170.5157.60111.6I627 E637 E638 L643 I644 S645I627-K641 HydrophobicContact CD1-CG 4.03Å; I627-K641 HydrophobicContact CG1-CG 4.38Å; E637-K641 WeakPolarHBondContact O-CG 3.42Å; E637-K641 PolarHBondContact O-N 2.75Å; E638-K641 PolarHBondContact O-N 2.87Å; E638-K641 IonicContact OE1-NZ 3.68Å; E638-K641 PolarHBondContact OE1-NZ 2.64Å; E638-K641 VanDerWaalsContact OE1-NZ 3.14Å; E638-K641 IonicContact OE2-NZ 3.56Å; E638-K641 PolarHBondContact OE2-NZ 3.38Å; K641-L643 VanDerWaalsContact C-N 3.34Å; K641-L643 PolarHBondContact O-N 3.35Å; K641-I644 PolarHBondContact O-N 2.78Å; K641-S645 PolarHBondContact O-N 3.16Å
642D80.7Confident83.9Confident76 Ų7646.3 Ų46.341%0.40626%0.258SS..Hα-helixtrans-70-30.2178.1-162.445.2000112.8E638 M640 S645 N646E638-D642 PolarHBondContact O-N 3.3Å; M640-D642 VanDerWaalsContact C-N 3.28Å; M640-D642 PolarHBondContact O-N 2.83Å; D642-S645 PolarHBondContact O-OG 2.92Å; D642-N646 WeakPolarHBondContact O-CB 3.47Å; D642-N646 PolarHBondContact O-N 3.2Å; D642-N646 PolarHBondContact O-ND2 2.66Å; D642-N646 PolarHBondContact OD1-ND2 2.81Å
643L81.5Confident84.8Confident32 Ų3244.8 Ų44.817%0.16825%0.249CC..Hα-helixtrans-67.6-40.2171.1-179.159.6000111.8F613 L635 A639 M640 K641 N646 A647F613-L643 HydrophobicContact CB-CD1 3.76Å; F613-L643 HydrophobicContact CB-CD2 4.11Å; F613-L643 HydrophobicContact CB-CG 3.78Å; F613-L643 HydrophobicContact CD2-CD2 3.84Å; F613-L643 HydrophobicContact CD2-CG 4.18Å; F613-L643 HydrophobicContact CG-CD1 4.46Å; F613-L643 HydrophobicContact CG-CD2 4.1Å; F613-L643 HydrophobicContact CG-CG 3.92Å; L635-L643 HydrophobicContact CD1-CD2 3.84Å; A639-L643 WeakPolarHBondContact O-CB 3.32Å; A639-L643 PolarHBondContact O-N 2.94Å; M640-L643 WeakPolarHBondContact O-CB 3.37Å; M640-L643 PolarHBondContact O-N 3.25Å; M640-L643 VanDerWaalsContact O-N 3.12Å; M640-L643 HydrophobicContact SD-CD2 4.25Å; K641-L643 VanDerWaalsContact C-N 3.34Å; K641-L643 PolarHBondContact O-N 3.35Å; L643-N646 CarbonylContact O-C 3.59Å; L643-N646 PolarHBondContact O-N 2.87Å; L643-A647 PolarHBondContact O-N 2.99Å
644I82.6Confident85.8Confident20 Ų2043.3 Ų43.310%0.10324%0.243CC..Hα-helixtrans-66.7-43.5178.2-70.2159.5000110.9F613 M620 I623 I627 M640 K641 N646 A647F613-I644 HydrophobicContact CE1-CG1 3.91Å; F613-I644 HydrophobicContact CZ-CG1 4.17Å; M620-I644 HydrophobicContact CE-CG2 3.9Å; I623-I644 HydrophobicContact CD1-CG2 3.61Å; I623-I644 HydrophobicContact CG1-CD1 4.11Å; I623-I644 HydrophobicContact CG1-CG2 4.08Å; I627-I644 HydrophobicContact CD1-CD1 4.32Å; I627-I644 HydrophobicContact CG1-CD1 3.94Å; M640-I644 HydrophobicContact CG-CD1 3.88Å; M640-I644 WeakPolarHBondContact O-CD1 3.28Å; M640-I644 VanDerWaalsContact O-CG1 3.32Å; M640-I644 WeakPolarHBondContact O-CG1 3.18Å; M640-I644 PolarHBondContact O-N 3.24Å; M640-I644 HydrophobicContact SD-CD1 4.26Å; M640-I644 HydrophobicContact SD-CG1 4.41Å; K641-I644 PolarHBondContact O-N 2.78Å; I644-N646 VanDerWaalsContact C-N 3.29Å; I644-N646 PolarHBondContact O-N 3.23Å; I644-A647 WeakPolarHBondContact O-CB 3.41Å; I644-A647 PolarHBondContact O-N 3Å
645S80.4Confident86.6Confident71 Ų7141.8 Ų41.850%0.49722%0.216SC..Hα-helixtrans-63.5-37.6177.570.30000111.9K641 D642 A647 K691K641-S645 PolarHBondContact O-N 3.16Å; D642-S645 PolarHBondContact O-OG 2.92Å; S645-A647 VanDerWaalsContact C-N 3.32Å; S645-A647 PolarHBondContact O-N 2.72Å; S645-K691 PolarHBondContact O-NZ 3.4Å
646N80.8Confident87.5Confident85 Ų8540.2 Ų40.246%0.45521%0.208SC..THydrogen-bonded Turntrans-90.18.1179.9-67.7-58.4000114D642 L643 I644 K691D642-N646 WeakPolarHBondContact O-CB 3.47Å; D642-N646 PolarHBondContact O-N 3.2Å; D642-N646 PolarHBondContact O-ND2 2.66Å; D642-N646 PolarHBondContact OD1-ND2 2.81Å; L643-N646 CarbonylContact O-C 3.59Å; L643-N646 PolarHBondContact O-N 2.87Å; I644-N646 VanDerWaalsContact C-N 3.29Å; I644-N646 PolarHBondContact O-N 3.23Å; N646-K691 PolarHBondContact O-NZ 3.05Å
647A85.9Confident88.3Confident5 Ų534.4 Ų34.44%0.04118%0.181CC..PPolyproline II helixtrans-57.5145.7-179.100000113.3F613 S615 L643 I644 S645 K691F613-A647 HydrophobicContact CD1-CB 3.82Å; F613-A647 CarbonylContact O-C 3.31Å; F613-A647 VanDerWaalsContact O-CA 3.24Å; F613-A647 WeakPolarHBondContact O-CA 3.49Å; F613-A647 WeakPolarHBondContact O-CB 3.37Å; S615-A647 WeakPolarHBondContact OG-CB 3.49Å; L643-A647 PolarHBondContact O-N 2.99Å; I644-A647 WeakPolarHBondContact O-CB 3.41Å; I644-A647 PolarHBondContact O-N 3Å; S645-A647 VanDerWaalsContact C-N 3.32Å; S645-A647 PolarHBondContact O-N 2.72Å; A647-K691 PolarHBondContact O-NZ 3.15Å
648E91.9Very high88.9Confident9 Ų930 Ų304%0.04216%0.16CC..BIsolated β-bridgetrans-66.7144.7172.2-64180178.900109.8G612 F613 V614 S615 F652 T676 V693G612-E648 WeakPolarHBondContact CA-OE1 3.28Å; G612-E648 PolarHBondContact N-OE1 2.85Å; G612-E648 VanDerWaalsContact N-OE1 3.11Å; G612-E648 PolarHBondContact N-OE2 3.49Å; F613-E648 PolarHBondContact O-N 3.28Å; V614-E648 WeakPolarHBondContact CA-O 3.29Å; V614-E648 WeakPolarHBondContact CG1-O 3.32Å; V614-E648 HydrophobicContact CG2-CB 4.28Å; S615-E648 PolarHBondContact N-O 2.9Å; E648-F652 HydrophobicContact CB-CB 4.29Å; E648-F652 HydrophobicContact CB-CD1 4.18Å; E648-F652 VanDerWaalsContact CD-CD1 3.46Å; E648-F652 HydrophobicContact CG-CD1 3.84Å; E648-F652 HydrophobicContact CG-CE1 4.32Å; E648-F652 WeakPolarHBondContact OE2-CD1 3.42Å; E648-T676 PolarHBondContact OE1-OG1 2.8Å; E648-T676 PolarHBondContact OE2-OG1 3.16Å; E648-T676 VanDerWaalsContact OE2-OG1 3.12Å; E648-V693 HydrophobicContact CG-CG1 3.66Å; E648-V693 HydrophobicContact CG-CG2 4.48Å; E648-V693 WeakPolarHBondContact OE1-CG1 3.32Å
649S91.6Very high89.6Confident21 Ų2124.9 Ų24.915%0.14714%0.137CC..PPolyproline II helixtrans-71.2158.2169.385.30000111.1E651 F652 D687 V688S649-E651 PolarHBondContact O-N 3.46Å; S649-E651 VanDerWaalsContact O-N 3.16Å; S649-E651 PolarHBondContact OG-N 3.09Å; S649-F652 WeakPolarHBondContact O-CB 3.39Å; S649-F652 PolarHBondContact O-N 3.27Å; S649-F652 VanDerWaalsContact O-N 3.12Å; S649-F652 PolarHBondContact OG-N 3.25Å; S649-D687 WeakPolarHBondContact CB-OD1 3.08Å; S649-D687 PolarHBondContact N-OD2 2.98Å; S649-D687 PolarHBondContact OG-OD1 3.26Å; S649-V688 VanDerWaalsContact OG-CG2 3.31Å; S649-V688 WeakPolarHBondContact OG-CG2 3.35Å
650V92.8Very high90.4Very high29 Ų2924.2 Ų24.218%0.17613%0.131CC..THydrogen-bonded Turntrans-58-27.9173.2-62.90000112.9G438 G442 V614 T616G438-V650 WeakPolarHBondContact O-CB 3.32Å; G442-V650 WeakPolarHBondContact CA-O 3.08Å; V614-V650 HydrophobicContact CG1-CG1 4.12Å; T616-V650 HydrophobicContact CG2-CG1 4.18Å
651E94.4Very high91Very high19 Ų1925.4 Ų25.49%0.08914%0.141CC..THydrogen-bonded Turntrans-81.1-14.7-178.8-58.8-164.2-13600113.2L445 Q446 R472 S649 A653 G654 K655 V688L445-E651 HydrophobicContact CD1-CG 4.44Å; Q446-E651 HydrophobicContact CG-CB 4.06Å; Q446-E651 WeakPolarHBondContact CG-O 3.43Å; Q446-E651 PolarHBondContact NE2-OE2 2.88Å; R472-E651 IonicContact CZ-OE1 3Å; R472-E651 IonicContact CZ-OE2 2.62Å; R472-E651 IonicContact NH1-OE1 2.7Å; R472-E651 IonicContact NH1-OE2 3.18Å; R472-E651 PolarHBondContact NH1-OE2 3.27Å; R472-E651 IonicContact NH2-OE1 3.98Å; R472-E651 PolarHBondContact NH2-OE1 3.34Å; R472-E651 IonicContact NH2-OE2 3.91Å; R472-E651 PolarHBondContact NH2-OE2 3.25Å; S649-E651 PolarHBondContact O-N 3.46Å; S649-E651 VanDerWaalsContact O-N 3.16Å; S649-E651 PolarHBondContact OG-N 3.09Å; E651-A653 PolarHBondContact O-N 2.87Å; E651-G654 WeakPolarHBondContact O-CA 3.44Å; E651-G654 PolarHBondContact O-N 3.39Å; E651-K655 PolarHBondContact O-N 3.16Å; E651-K655 VanDerWaalsContact O-N 3.08Å; E651-V688 HydrophobicContact CB-CG1 3.95Å; E651-V688 HydrophobicContact CG-CG1 4.33Å
652F95.4Very high91.5Very high0 Ų023.1 Ų23.10%014%0.136CC..Hα-helixtrans-65.5-43.5-172.1-169.1-126.7000113.4E648 S649 G654 K655 C656 T676 A680 F685 D687 V693E648-F652 HydrophobicContact CB-CB 4.29Å; E648-F652 HydrophobicContact CB-CD1 4.18Å; E648-F652 VanDerWaalsContact CD-CD1 3.46Å; E648-F652 HydrophobicContact CG-CD1 3.84Å; E648-F652 HydrophobicContact CG-CE1 4.32Å; E648-F652 WeakPolarHBondContact OE2-CD1 3.42Å; S649-F652 WeakPolarHBondContact O-CB 3.39Å; S649-F652 PolarHBondContact O-N 3.27Å; S649-F652 VanDerWaalsContact O-N 3.12Å; S649-F652 PolarHBondContact OG-N 3.25Å; F652-G654 PolarHBondContact O-N 3.14Å; F652-K655 WeakPolarHBondContact O-CB 3.44Å; F652-K655 PolarHBondContact O-N 3.34Å; F652-C656 PolarHBondContact O-N 2.81Å; F652-C656 VanDerWaalsContact O-N 3.14Å; F652-C656 PolarHBondContact O-SG 2.89Å; F652-T676 HydrophobicContact CD1-CG2 4.45Å; F652-A680 HydrophobicContact CE1-CB 4.41Å; F652-A680 HydrophobicContact CE2-CB 3.88Å; F652-A680 HydrophobicContact CZ-CB 3.38Å; F652-F685 HydrophobicContact CD2-CE2 4.08Å; F652-F685 AromaticContact CE2-CD2 3.98Å; F652-F685 HydrophobicContact CE2-CD2 3.98Å; F652-F685 AromaticContact CE2-CE2 3.6Å; F652-F685 HydrophobicContact CE2-CE2 3.6Å; F652-F685 HydrophobicContact CZ-CE2 4.25Å; F652-D687 WeakPolarHBondContact CB-OD1 3.36Å; F652-D687 HydrophobicContact CD2-CB 3.7Å; F652-D687 HydrophobicContact CE2-CB 4.08Å; F652-D687 HydrophobicContact CG-CB 4.27Å; F652-V693 HydrophobicContact CD1-CG1 4.4Å; F652-V693 HydrophobicContact CD1-CG2 4.05Å; F652-V693 HydrophobicContact CD2-CG2 4.13Å; F652-V693 HydrophobicContact CE1-CB 3.76Å; F652-V693 HydrophobicContact CE1-CG1 3.69Å; F652-V693 HydrophobicContact CE1-CG2 3.56Å; F652-V693 HydrophobicContact CE2-CB 4.4Å; F652-V693 HydrophobicContact CE2-CG2 3.66Å; F652-V693 HydrophobicContact CG-CG2 4.29Å; F652-V693 HydrophobicContact CZ-CB 3.6Å; F652-V693 HydrophobicContact CZ-CG1 4.08Å; F652-V693 HydrophobicContact CZ-CG2 3.31Å
653A97Very high92.1Very high2 Ų220.7 Ų20.72%0.01712%0.123CC..Hα-helixtrans-59.9-36.1173.100000110.8I439 I443 L609 E651 K655 C656 V657 T676I439-A653 HydrophobicContact CG2-CB 3.91Å; I443-A653 HydrophobicContact CD1-CB 4.17Å; I443-A653 HydrophobicContact CG1-CB 4.13Å; L609-A653 HydrophobicContact CD2-CB 4.33Å; E651-A653 PolarHBondContact O-N 2.87Å; A653-K655 PolarHBondContact O-N 3.44Å; A653-C656 VanDerWaalsContact O-CB 3.28Å; A653-C656 WeakPolarHBondContact O-CB 3.01Å; A653-C656 PolarHBondContact O-N 3.42Å; A653-C656 VanDerWaalsContact O-N 3.17Å; A653-V657 WeakPolarHBondContact O-CG2 3.32Å; A653-V657 PolarHBondContact O-N 2.73Å; A653-T676 HydrophobicContact CB-CG2 4.45Å
654G96.6Very high92.6Very high0 Ų028.9 Ų28.90%016%0.157CC..Hα-helixtrans-58.9-46.217400000113.2E651 F652 C656 V657 V658E651-G654 WeakPolarHBondContact O-CA 3.44Å; E651-G654 PolarHBondContact O-N 3.39Å; F652-G654 PolarHBondContact O-N 3.14Å; G654-C656 VanDerWaalsContact C-N 3.28Å; G654-C656 PolarHBondContact O-N 2.96Å; G654-V657 PolarHBondContact O-N 2.65Å; G654-V658 WeakPolarHBondContact O-CG2 3.46Å; G654-V658 PolarHBondContact O-N 2.94Å
655K94.9Very high93.1Very high36 Ų3631.9 Ų31.916%0.15717%0.173CC..Hα-helixtrans-59.7-39.7174.4-70.6-180167.9178.40112.1Q446 E651 F652 A653 V658 H659 F685 T686 D687Q446-K655 HydrophobicContact CG-CG 4.05Å; Q446-K655 VanDerWaalsContact OE1-CG 3.3Å; E651-K655 PolarHBondContact O-N 3.16Å; E651-K655 VanDerWaalsContact O-N 3.08Å; F652-K655 WeakPolarHBondContact O-CB 3.44Å; F652-K655 PolarHBondContact O-N 3.34Å; A653-K655 PolarHBondContact O-N 3.44Å; K655-V658 PolarHBondContact O-N 2.74Å; K655-H659 PolarHBondContact O-CD2 3.3Å; K655-H659 PolarHBondContact O-N 3.02Å; K655-F685 HydrophobicContact CB-CD2 3.79Å; K655-F685 HydrophobicContact CB-CE2 3.49Å; K655-F685 VanDerWaalsContact CB-CE2 3.49Å; K655-F685 HydrophobicContact CB-CZ 4.21Å; K655-F685 HydrophobicContact CD-CD2 4.05Å; K655-F685 HydrophobicContact CD-CE2 4.43Å; K655-T686 WeakPolarHBondContact CD-O 3.32Å; K655-T686 PolarHBondContact NZ-O 2.94Å; K655-D687 PolarHBondContact NZ-O 2.86Å
656C97.2Very high93.9Very high0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-60.1-49.1174.5-600000111.2L609 F652 A653 G654 V658 H659 L660 V679 F685L609-C656 HydrophobicContact CD1-CB 4.2Å; L609-C656 HydrophobicContact CD2-CB 3.83Å; F652-C656 PolarHBondContact O-N 2.81Å; F652-C656 VanDerWaalsContact O-N 3.14Å; F652-C656 PolarHBondContact O-SG 2.89Å; A653-C656 VanDerWaalsContact O-CB 3.28Å; A653-C656 WeakPolarHBondContact O-CB 3.01Å; A653-C656 PolarHBondContact O-N 3.42Å; A653-C656 VanDerWaalsContact O-N 3.17Å; G654-C656 VanDerWaalsContact C-N 3.28Å; G654-C656 PolarHBondContact O-N 2.96Å; C656-V658 PolarHBondContact O-N 2.85Å; C656-H659 PolarHBondContact O-N 3.15Å; C656-L660 WeakPolarHBondContact O-CB 3.41Å; C656-L660 VanDerWaalsContact O-CG 3.26Å; C656-L660 WeakPolarHBondContact O-CG 3.36Å; C656-L660 PolarHBondContact O-N 3.31Å; C656-V679 HydrophobicContact CB-CB 4.29Å; C656-V679 HydrophobicContact CB-CG1 3.77Å; C656-F685 HydrophobicContact CB-CZ 4.21Å; C656-F685 VanDerWaalsContact SG-CZ 3.56Å
657V98.3Very high94.7Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-61.1-44.2179.5175.80000111.1I443 L447 I506 V508 V565 L609 A653 G654 H659 L660 A661I443-V657 HydrophobicContact CG2-CG2 4.42Å; L447-V657 HydrophobicContact CD2-CG1 4.03Å; I506-V657 HydrophobicContact CG2-CG1 4.28Å; V508-V657 HydrophobicContact CG2-CG1 3.77Å; V508-V657 HydrophobicContact CG2-CG2 4.34Å; V565-V657 HydrophobicContact CG1-CG2 4.46Å; L609-V657 HydrophobicContact CD2-CG2 4.25Å; A653-V657 WeakPolarHBondContact O-CG2 3.32Å; A653-V657 PolarHBondContact O-N 2.73Å; G654-V657 PolarHBondContact O-N 2.65Å; V657-H659 VanDerWaalsContact C-N 3.32Å; V657-H659 PolarHBondContact O-N 2.97Å; V657-L660 PolarHBondContact O-N 2.98Å; V657-A661 VanDerWaalsContact O-CB 3.28Å; V657-A661 WeakPolarHBondContact O-CB 3.35Å; V657-A661 PolarHBondContact O-N 3.23Å
658V96.4Very high95.3Very high2 Ų234.8 Ų34.81%0.01217%0.174CC..Hα-helixtrans-57.5-45.9178.3170.70000111.4W421 L425 Q446 L447 A450 G654 K655 C656 A661 S662W421-V658 HydrophobicContact CE3-CG1 4.06Å; W421-V658 HydrophobicContact CZ3-CB 4.42Å; W421-V658 HydrophobicContact CZ3-CG1 3.7Å; L425-V658 HydrophobicContact CD1-CB 4.45Å; L425-V658 HydrophobicContact CD1-CG1 4.27Å; L425-V658 HydrophobicContact CD1-CG2 4.18Å; Q446-V658 HydrophobicContact CB-CG2 4.1Å; Q446-V658 WeakPolarHBondContact O-CG2 3.38Å; L447-V658 HydrophobicContact CD2-CG2 4.12Å; A450-V658 HydrophobicContact CB-CB 4.44Å; A450-V658 HydrophobicContact CB-CG1 3.58Å; A450-V658 HydrophobicContact CB-CG2 3.92Å; G654-V658 WeakPolarHBondContact O-CG2 3.46Å; G654-V658 PolarHBondContact O-N 2.94Å; K655-V658 PolarHBondContact O-N 2.74Å; C656-V658 PolarHBondContact O-N 2.85Å; V658-A661 PolarHBondContact O-N 2.89Å; V658-S662 WeakPolarHBondContact O-CB 3.26Å; V658-S662 PolarHBondContact O-N 3.23Å; V658-S662 PolarHBondContact O-OG 3.5Å
659H95.2Very high95.5Very high17 Ų1735.3 Ų35.38%0.07918%0.176CC..Hα-helixtrans-66.5-42.9178-86.9-69.3000113.3W421 K655 C656 V657 A661 S662 D663 Y683 F685W421-H659 AromaticContact CH2-CD2 3.15Å; W421-H659 WeakPolarHBondContact CH2-CD2 3.07Å; W421-H659 AromaticContact CH2-CE1 3.13Å; W421-H659 WeakPolarHBondContact CH2-CE1 3.5Å; W421-H659 AromaticContact CH2-CG 3.83Å; W421-H659 AromaticContact CH2-ND1 3.78Å; W421-H659 AromaticContact CH2-NE2 2.74Å; W421-H659 WeakPolarHBondContact CH2-NE2 3.45Å; W421-H659 AromaticContact CZ2-CD2 3.94Å; W421-H659 AromaticContact CZ2-CE1 3.2Å; W421-H659 WeakPolarHBondContact CZ2-CE1 3.48Å; W421-H659 AromaticContact CZ2-NE2 3.02Å; W421-H659 WeakPolarHBondContact CZ2-NE2 3.43Å; W421-H659 AromaticContact CZ3-CD2 3.83Å; W421-H659 AromaticContact CZ3-CE1 3.87Å; W421-H659 AromaticContact CZ3-NE2 3.75Å; K655-H659 PolarHBondContact O-CD2 3.3Å; K655-H659 PolarHBondContact O-N 3.02Å; C656-H659 PolarHBondContact O-N 3.15Å; V657-H659 VanDerWaalsContact C-N 3.32Å; V657-H659 PolarHBondContact O-N 2.97Å; H659-A661 VanDerWaalsContact C-N 3.34Å; H659-S662 CarbonylContact O-C 3.51Å; H659-S662 PolarHBondContact O-N 3.49Å; H659-D663 PolarHBondContact O-N 3Å; H659-Y683 HydrophobicContact CB-CD1 4.1Å; H659-Y683 HydrophobicContact CB-CD2 3.94Å; H659-Y683 HydrophobicContact CB-CE1 4.49Å; H659-Y683 HydrophobicContact CB-CE2 4.36Å; H659-Y683 HydrophobicContact CB-CG 3.8Å; H659-Y683 AromaticContact CG-CG 3.91Å; H659-Y683 AromaticContact ND1-CD1 3.95Å; H659-Y683 AromaticContact ND1-CG 3.91Å; H659-F685 HydrophobicContact CB-CE1 4.36Å; H659-F685 AromaticContact CD2-CD1 3.02Å; H659-F685 WeakPolarHBondContact CD2-CD1 3.43Å; H659-F685 AromaticContact CD2-CE1 3.09Å; H659-F685 WeakPolarHBondContact CD2-CE1 3.47Å; H659-F685 AromaticContact CD2-CG 3.74Å; H659-F685 AromaticContact CD2-CZ 3.92Å; H659-F685 AromaticContact CG-CE1 3.98Å; H659-F685 AromaticContact NE2-CD1 2.94Å; H659-F685 WeakPolarHBondContact NE2-CD1 3.36Å; H659-F685 AromaticContact NE2-CE1 3.58Å; H659-F685 AromaticContact NE2-CG 3.49Å; H659-F685 WeakPolarHBondContact NE2-CG 3.44Å
660L97.7Very high95.9Very high0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-62.6-42.6177-70.6167.5000111.1L563 L607 L609 C656 V657 S662 D663 I666 K669 L674 V679 Y683L563-L660 HydrophobicContact CD2-CB 4.03Å; L607-L660 HydrophobicContact CD1-CD1 4.22Å; L607-L660 HydrophobicContact CD2-CD2 4.47Å; L609-L660 HydrophobicContact CD1-CD1 4.31Å; C656-L660 WeakPolarHBondContact O-CB 3.41Å; C656-L660 VanDerWaalsContact O-CG 3.26Å; C656-L660 WeakPolarHBondContact O-CG 3.36Å; C656-L660 PolarHBondContact O-N 3.31Å; V657-L660 PolarHBondContact O-N 2.98Å; L660-S662 PolarHBondContact O-N 3.49Å; L660-D663 PolarHBondContact O-N 3.15Å; L660-I666 HydrophobicContact CB-CD1 3.94Å; L660-I666 HydrophobicContact CD2-CD1 3.76Å; L660-I666 HydrophobicContact CG-CD1 4.47Å; L660-I666 WeakPolarHBondContact O-CD1 3.11Å; L660-K669 HydrophobicContact CD2-CD 3.86Å; L660-L674 HydrophobicContact CD1-CD1 4.17Å; L660-L674 HydrophobicContact CD2-CD1 3.69Å; L660-V679 HydrophobicContact CD1-CG1 4.43Å; L660-V679 HydrophobicContact CD1-CG2 4.46Å; L660-V679 HydrophobicContact CG-CG1 4.23Å; L660-Y683 HydrophobicContact CD2-CE2 4.05Å
661A97.3Very high96.1Very high26 Ų2635.2 Ų35.222%0.21518%0.18CC..Hα-helixtrans-66.5-24.2176.500000113.3L425 I506 L563 V657 V658 H659L425-A661 HydrophobicContact CD1-CB 4.3Å; L425-A661 HydrophobicContact CD2-CB 3.79Å; I506-A661 HydrophobicContact CD1-CB 3.51Å; I506-A661 HydrophobicContact CG1-CB 4.06Å; L563-A661 HydrophobicContact CD2-CB 3.95Å; V657-A661 VanDerWaalsContact O-CB 3.28Å; V657-A661 WeakPolarHBondContact O-CB 3.35Å; V657-A661 PolarHBondContact O-N 3.23Å; V658-A661 PolarHBondContact O-N 2.89Å; H659-A661 VanDerWaalsContact C-N 3.34Å
662S93.5Very high96.2Very high35 Ų3541.8 Ų41.825%0.24520%0.204CC..Hα-helixtrans-92.1-9.4177.8-53.10000113.2M424 V658 H659 L660 K664M424-S662 WeakPolarHBondContact CE-OG 3.41Å; V658-S662 WeakPolarHBondContact O-CB 3.26Å; V658-S662 PolarHBondContact O-N 3.23Å; V658-S662 PolarHBondContact O-OG 3.5Å; H659-S662 CarbonylContact O-C 3.51Å; H659-S662 PolarHBondContact O-N 3.49Å; L660-S662 PolarHBondContact O-N 3.49Å; S662-K664 PolarHBondContact O-N 3.15Å
663D93.2Very high96.3Very high26 Ų2644.3 Ų44.314%0.13922%0.219CC..  trans-74.6112.5-178.3-175.96.8000111H659 L660 N665 I666 K669 Y683H659-D663 PolarHBondContact O-N 3Å; L660-D663 PolarHBondContact O-N 3.15Å; D663-N665 PolarHBondContact O-N 2.89Å; D663-N665 VanDerWaalsContact O-N 3.09Å; D663-N665 WeakPolarHBondContact OD1-CA 3.47Å; D663-N665 WeakPolarHBondContact OD1-CB 3.49Å; D663-N665 PolarHBondContact OD1-N 2.92Å; D663-I666 HydrophobicContact CB-CB 4.32Å; D663-I666 WeakPolarHBondContact O-CB 3.48Å; D663-I666 PolarHBondContact O-N 3Å; D663-I666 VanDerWaalsContact O-N 3.08Å; D663-K669 IonicContact OD2-NZ 3.3Å; D663-K669 PolarHBondContact OD2-NZ 2.86Å; D663-Y683 HydrophobicContact CB-CE1 4.01Å; D663-Y683 WeakPolarHBondContact CB-OH 3.44Å; D663-Y683 PolarHBondContact OD2-OH 2.85Å
664K91.7Very high96.2Very high203 Ų20345.3 Ų45.388%0.88322%0.224SC*.THydrogen-bonded Turntrans-61.7-17.1174.1-62.4-174.2-179.7-177.90113.3S662S662-K664 PolarHBondContact O-N 3.15Å
665N93.9Very high96.1Very high83 Ų8346.2 Ų46.244%0.44423%0.228SC..THydrogen-bonded Turntrans-107.221178.1-62.3-79.2000112.9D663 M667 K668D663-N665 PolarHBondContact O-N 2.89Å; D663-N665 VanDerWaalsContact O-N 3.09Å; D663-N665 WeakPolarHBondContact OD1-CA 3.47Å; D663-N665 WeakPolarHBondContact OD1-CB 3.49Å; D663-N665 PolarHBondContact OD1-N 2.92Å; N665-M667 PolarHBondContact O-N 2.56Å; N665-K668 HydrophobicContact CB-CD 4.1Å; N665-K668 HydrophobicContact CB-CG 4.38Å; N665-K668 WeakPolarHBondContact O-CB 3.4Å; N665-K668 PolarHBondContact O-N 3.23Å
666I96.8Very high96.2Very high25 Ų2544.6 Ų44.613%0.12822%0.221CC..G310 helixtrans-54.7-30.9-175.5-166.556.6000113.4L563 A605 L607 L660 D663 K668 K669 T670L563-I666 HydrophobicContact CD1-CD1 4.41Å; L563-I666 HydrophobicContact CD1-CG1 4.01Å; A605-I666 HydrophobicContact CB-CG1 3.87Å; A605-I666 HydrophobicContact CB-CG2 4.11Å; L607-I666 HydrophobicContact CD2-CD1 3.93Å; L660-I666 HydrophobicContact CB-CD1 3.94Å; L660-I666 HydrophobicContact CD2-CD1 3.76Å; L660-I666 HydrophobicContact CG-CD1 4.47Å; L660-I666 WeakPolarHBondContact O-CD1 3.11Å; D663-I666 HydrophobicContact CB-CB 4.32Å; D663-I666 WeakPolarHBondContact O-CB 3.48Å; D663-I666 PolarHBondContact O-N 3Å; D663-I666 VanDerWaalsContact O-N 3.08Å; I666-K668 PolarHBondContact O-N 3.15Å; I666-K668 VanDerWaalsContact O-N 3.13Å; I666-K669 HydrophobicContact CD1-CB 4.4Å; I666-K669 HydrophobicContact CD1-CD 4.24Å; I666-K669 WeakPolarHBondContact O-CA 3.49Å; I666-K669 WeakPolarHBondContact O-CB 3.42Å; I666-K669 PolarHBondContact O-N 3.2Å; I666-T670 PolarHBondContact O-N 3.32Å
667M97.9Very high95.9Very high43 Ų4344.9 Ų44.921%0.21222%0.223CC..G310 helixtrans-61.8-19.9176-68.3-53.4-67.900114.2K600 N603 A605 N665 K669 T670K600-M667 HydrophobicContact CB-CE 4.44Å; K600-M667 HydrophobicContact CG-CE 4.09Å; N603-M667 WeakPolarHBondContact OD1-CG 2.74Å; A605-M667 HydrophobicContact CB-SD 3.85Å; N665-M667 PolarHBondContact O-N 2.56Å; M667-K669 PolarHBondContact O-N 3.36Å; M667-T670 HydrophobicContact CE-CG2 4.05Å; M667-T670 WeakPolarHBondContact O-CG2 3.5Å; M667-T670 PolarHBondContact O-N 2.85Å
668K97.1Very high95.6Very high154 Ų15446 Ų4667%0.6723%0.23SC*.G310 helixtrans-68.6-18.8170.8-64.1-175.3-175.8173.50112.6N665 I666N665-K668 HydrophobicContact CB-CD 4.1Å; N665-K668 HydrophobicContact CB-CG 4.38Å; N665-K668 WeakPolarHBondContact O-CB 3.4Å; N665-K668 PolarHBondContact O-N 3.23Å; I666-K668 PolarHBondContact O-N 3.15Å; I666-K668 VanDerWaalsContact O-N 3.13Å
669K97.7Very high95.5Very high21 Ų2146 Ų469%0.09123%0.23CC..SBendtrans-105.4-5.8-178-57.8179.5171.476.20113L660 D663 I666 M667 R672 L674 E682 Y683L660-K669 HydrophobicContact CD2-CD 3.86Å; D663-K669 IonicContact OD2-NZ 3.3Å; D663-K669 PolarHBondContact OD2-NZ 2.86Å; I666-K669 HydrophobicContact CD1-CB 4.4Å; I666-K669 HydrophobicContact CD1-CD 4.24Å; I666-K669 WeakPolarHBondContact O-CA 3.49Å; I666-K669 WeakPolarHBondContact O-CB 3.42Å; I666-K669 PolarHBondContact O-N 3.2Å; M667-K669 PolarHBondContact O-N 3.36Å; K669-R672 VanDerWaalsContact O-CB 3.29Å; K669-R672 WeakPolarHBondContact O-CB 3.41Å; K669-R672 WeakPolarHBondContact O-CG 3.48Å; K669-R672 PolarHBondContact O-N 3.37Å; K669-L674 HydrophobicContact CB-CD1 4.4Å; K669-L674 HydrophobicContact CD-CD1 4.11Å; K669-E682 WeakPolarHBondContact CE-OE1 3.48Å; K669-E682 VanDerWaalsContact CE-OE2 3.32Å; K669-E682 WeakPolarHBondContact CE-OE2 3.48Å; K669-E682 IonicContact NZ-OE1 2.74Å; K669-E682 PolarHBondContact NZ-OE1 2.81Å; K669-E682 IonicContact NZ-OE2 3.24Å; K669-Y683 VanDerWaalsContact CE-OH 3.26Å; K669-Y683 WeakPolarHBondContact CE-OH 3.42Å; K669-Y683 PolarHBondContact NZ-OH 3.19Å
670T98.3Very high95.3Very high21 Ų2145.6 Ų45.613%0.12923%0.229CC..THydrogen-bonded Turntrans-58.6142.3178-159.20000111.1A596 A605 F606 I666 M667 R672A596-T670 HydrophobicContact CB-CG2 4.39Å; A596-T670 WeakPolarHBondContact CB-OG1 3.5Å; A605-T670 WeakPolarHBondContact CA-OG1 3.29Å; F606-T670 PolarHBondContact N-OG1 2.78Å; F606-T670 PolarHBondContact O-OG1 2.93Å; I666-T670 PolarHBondContact O-N 3.32Å; M667-T670 HydrophobicContact CE-CG2 4.05Å; M667-T670 WeakPolarHBondContact O-CG2 3.5Å; M667-T670 PolarHBondContact O-N 2.85Å; T670-R672 VanDerWaalsContact C-N 3.26Å; T670-R672 PolarHBondContact O-N 3.45Å
671G98Very high94.9Very high26 Ų2650.5 Ų50.527%0.26825%0.248SC..THydrogen-bonded Turntrans72.111.8-176.900000115A596 F606A596-G671 VanDerWaalsContact CB-CA 3.42Å; A596-G671 VanDerWaalsContact CB-N 3.3Å; F606-G671 WeakPolarHBondContact O-CA 3.44Å; F606-G671 PolarHBondContact O-N 3.16Å
672R96.9Very high94.5Very high158 Ų15854.7 Ų54.760%0.59626%0.263SS*.  trans-106.7155.6-179-59.2-168.6175.6-153.1-3.6112.8L607 S608 K669 T670 L674L607-R672 WeakPolarHBondContact CB-O 3.43Å; S608-R672 PolarHBondContact N-O 3.01Å; K669-R672 VanDerWaalsContact O-CB 3.29Å; K669-R672 WeakPolarHBondContact O-CB 3.41Å; K669-R672 WeakPolarHBondContact O-CG 3.48Å; K669-R672 PolarHBondContact O-N 3.37Å; T670-R672 VanDerWaalsContact C-N 3.26Å; T670-R672 PolarHBondContact O-N 3.45Å; R672-L674 HydrophobicContact CB-CD2 4.27Å
673V96Very high94.2Very high52 Ų5255.6 Ų55.632%0.31526%0.261SS..EExtended strand (participates in β ladder)trans-92130.4162.9175.40000108.8D589 S608 W610D589-V673 HydrophobicContact CB-CG2 3.95Å; S608-V673 CarbonylContact O-C 2.99Å; S608-V673 WeakPolarHBondContact O-CA 3.47Å; W610-V673 HydrophobicContact CD2-CG1 3.38Å; W610-V673 HydrophobicContact CE3-CG1 3.89Å; W610-V673 HydrophobicContact CG-CG1 3.74Å; W610-V673 HydrophobicContact CH2-CG1 3.93Å; W610-V673 HydrophobicContact CZ2-CB 4.43Å; W610-V673 HydrophobicContact CZ2-CG1 3.53Å; W610-V673 HydrophobicContact CZ2-CG2 4.18Å; W610-V673 HydrophobicContact CZ3-CG1 4.14Å
674L96.1Very high93.8Very high23 Ų2356.1 Ų56.112%0.1227%0.273CS..EExtended strand (participates in β ladder)trans-122.2138.9179.2-55179000110.6L607 S608 L609 W610 L660 K669 R672 V679L607-L674 HydrophobicContact CD1-CD1 4.33Å; L607-L674 HydrophobicContact CD2-CD1 4.09Å; S608-L674 PolarHBondContact O-N 3.21Å; L609-L674 CarbonylContact C-O 3.52Å; L609-L674 WeakPolarHBondContact CA-O 3.33Å; L609-L674 HydrophobicContact CD1-CB 4.18Å; W610-L674 PolarHBondContact N-O 2.82Å; L660-L674 HydrophobicContact CD1-CD1 4.17Å; L660-L674 HydrophobicContact CD2-CD1 3.69Å; K669-L674 HydrophobicContact CB-CD1 4.4Å; K669-L674 HydrophobicContact CD-CD1 4.11Å; R672-L674 HydrophobicContact CB-CD2 4.27Å; L674-V679 HydrophobicContact CB-CG2 3.87Å; L674-V679 HydrophobicContact CD1-CG2 4.19Å
675F94.4Very high93.4Very high19 Ų1947.4 Ų47.48%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-88.9137.7171.6-64.3-101.3000109.8W610 A677 D678 V679 V696 R697 M726W610-F675 HydrophobicContact CB-CD1 4.39Å; W610-F675 HydrophobicContact CE3-CD1 4.24Å; W610-F675 AromaticContact CE3-CE1 3.45Å; W610-F675 HydrophobicContact CE3-CE1 3.45Å; W610-F675 VanDerWaalsContact CE3-CE1 3.45Å; W610-F675 HydrophobicContact CE3-CE2 4.1Å; W610-F675 AromaticContact CE3-CZ 3.34Å; W610-F675 HydrophobicContact CE3-CZ 3.34Å; W610-F675 AromaticContact CZ3-CE1 3.98Å; W610-F675 HydrophobicContact CZ3-CE1 3.98Å; W610-F675 HydrophobicContact CZ3-CE2 4.27Å; W610-F675 AromaticContact CZ3-CZ 3.47Å; W610-F675 HydrophobicContact CZ3-CZ 3.47Å; W610-F675 VanDerWaalsContact CZ3-CZ 3.47Å; W610-F675 WeakPolarHBondContact O-CA 3.37Å; F675-A677 VanDerWaalsContact C-N 3.3Å; F675-A677 PolarHBondContact O-N 3.42Å; F675-D678 HydrophobicContact CB-CB 4.15Å; F675-D678 WeakPolarHBondContact CB-OD2 3.43Å; F675-D678 WeakPolarHBondContact O-CB 3.39Å; F675-D678 PolarHBondContact O-N 2.9Å; F675-V679 WeakPolarHBondContact O-CG2 3.32Å; F675-V679 PolarHBondContact O-N 2.82Å; F675-V696 HydrophobicContact CD1-CG2 3.52Å; F675-V696 HydrophobicContact CE1-CG2 3.48Å; F675-V696 VanDerWaalsContact CE1-CG2 3.48Å; F675-R697 HydrophobicContact CE1-CG 4.33Å; F675-R697 HydrophobicContact CZ-CG 4.31Å; F675-M726 HydrophobicContact CE1-CE 4.13Å; F675-M726 HydrophobicContact CE2-CE 4.26Å; F675-M726 HydrophobicContact CZ-CE 3.41Å; F675-M726 VanDerWaalsContact CZ-CE 3.41Å
676T95.6Very high93.1Very high2 Ų245.9 Ų45.91%0.01223%0.229CC..Hα-helixtrans-51.3-48.2175.147.70000112.1L609 W610 P611 E648 F652 A653 D678 V679 A680L609-T676 HydrophobicContact CD1-CG2 4.17Å; L609-T676 HydrophobicContact CD2-CG2 4.05Å; L609-T676 HydrophobicContact CG-CG2 3.97Å; W610-T676 PolarHBondContact O-N 3.18Å; W610-T676 PolarHBondContact O-OG1 3.22Å; P611-T676 HydrophobicContact CB-CG2 4.31Å; E648-T676 PolarHBondContact OE1-OG1 2.8Å; E648-T676 PolarHBondContact OE2-OG1 3.16Å; E648-T676 VanDerWaalsContact OE2-OG1 3.12Å; F652-T676 HydrophobicContact CD1-CG2 4.45Å; A653-T676 HydrophobicContact CB-CG2 4.45Å; T676-D678 PolarHBondContact O-N 2.77Å; T676-V679 PolarHBondContact O-N 3.12Å; T676-A680 WeakPolarHBondContact O-CB 3.37Å; T676-A680 PolarHBondContact O-N 3.41Å
677A92.1Very high92.7Very high6 Ų644.8 Ų44.85%0.0522%0.223CC..Hα-helixtrans-63-23.9177.700000114.6F675 R681 V693F675-A677 VanDerWaalsContact C-N 3.3Å; F675-A677 PolarHBondContact O-N 3.42Å; A677-R681 PolarHBondContact O-N 3.4Å; A677-R681 PolarHBondContact O-NH2 3.36Å; A677-V693 HydrophobicContact CB-CG1 4.09Å
678D92.2Very high91.8Very high25 Ų2543.6 Ų43.613%0.13422%0.218CC..Hα-helixtrans-84.7-40.6175.4-67.9-39.3000111.8F675 T676 A680 R681 E682 R697F675-D678 HydrophobicContact CB-CB 4.15Å; F675-D678 WeakPolarHBondContact CB-OD2 3.43Å; F675-D678 WeakPolarHBondContact O-CB 3.39Å; F675-D678 PolarHBondContact O-N 2.9Å; T676-D678 PolarHBondContact O-N 2.77Å; D678-A680 VanDerWaalsContact C-N 3.32Å; D678-A680 PolarHBondContact O-N 2.99Å; D678-R681 PolarHBondContact O-N 3.43Å; D678-R681 IonicContact OD1-CZ 2.85Å; D678-R681 VanDerWaalsContact OD1-CZ 3.24Å; D678-R681 IonicContact OD1-NH1 3.7Å; D678-R681 PolarHBondContact OD1-NH1 3.5Å; D678-R681 IonicContact OD1-NH2 3.94Å; D678-R681 PolarHBondContact OD1-NH2 2.98Å; D678-E682 WeakPolarHBondContact O-CB 3.42Å; D678-E682 PolarHBondContact O-N 2.8Å; D678-R697 IonicContact OD1-CZ 3.66Å; D678-R697 IonicContact OD1-NH2 3.59Å; D678-R697 PolarHBondContact OD1-NH2 3.24Å; D678-R697 IonicContact OD2-CZ 3.32Å; D678-R697 IonicContact OD2-NE 2.72Å; D678-R697 PolarHBondContact OD2-NE 2.87Å; D678-R697 IonicContact OD2-NH2 3.25Å; D678-R697 PolarHBondContact OD2-NH2 3.43Å
679V94.4Very high90.7Very high2 Ų239.1 Ų39.11%0.01220%0.201CC..Hα-helixtrans-57.7-48.1170.9176.70000109.5L609 C656 L660 L674 F675 T676 R681 E682 Y683 F685L609-V679 HydrophobicContact CD1-CG2 4.08Å; C656-V679 HydrophobicContact CB-CB 4.29Å; C656-V679 HydrophobicContact CB-CG1 3.77Å; L660-V679 HydrophobicContact CD1-CG1 4.43Å; L660-V679 HydrophobicContact CD1-CG2 4.46Å; L660-V679 HydrophobicContact CG-CG1 4.23Å; L674-V679 HydrophobicContact CB-CG2 3.87Å; L674-V679 HydrophobicContact CD1-CG2 4.19Å; F675-V679 WeakPolarHBondContact O-CG2 3.32Å; F675-V679 PolarHBondContact O-N 2.82Å; T676-V679 PolarHBondContact O-N 3.12Å; V679-R681 VanDerWaalsContact C-N 3.27Å; V679-R681 PolarHBondContact O-N 3.49Å; V679-E682 PolarHBondContact O-N 3.17Å; V679-E682 VanDerWaalsContact O-N 3.15Å; V679-Y683 HydrophobicContact CG1-CD2 3.64Å; V679-Y683 HydrophobicContact CG1-CE2 3.82Å; V679-Y683 VanDerWaalsContact O-CD2 3.26Å; V679-Y683 WeakPolarHBondContact O-CD2 3.31Å; V679-Y683 PolarHBondContact O-N 2.88Å; V679-F685 HydrophobicContact CG1-CE1 4.02Å; V679-F685 HydrophobicContact CG1-CZ 4.07Å
680A91.4Very high89.5Confident8 Ų841.7 Ų41.77%0.06622%0.216CC..Hα-helixtrans-50.6-45174.900000113.8F652 T676 D678 G684 F685F652-A680 HydrophobicContact CE1-CB 4.41Å; F652-A680 HydrophobicContact CE2-CB 3.88Å; F652-A680 HydrophobicContact CZ-CB 3.38Å; T676-A680 WeakPolarHBondContact O-CB 3.37Å; T676-A680 PolarHBondContact O-N 3.41Å; D678-A680 VanDerWaalsContact C-N 3.32Å; D678-A680 PolarHBondContact O-N 2.99Å; A680-G684 CarbonylContact O-C 3.57Å; A680-G684 WeakPolarHBondContact O-CA 3.48Å; A680-G684 PolarHBondContact O-N 3.3Å; A680-F685 HydrophobicContact CB-CD1 4.44Å; A680-F685 HydrophobicContact CB-CD2 4.15Å; A680-F685 HydrophobicContact CB-CE1 4.2Å; A680-F685 HydrophobicContact CB-CE2 3.82Å; A680-F685 HydrophobicContact CB-CG 4.47Å; A680-F685 HydrophobicContact CB-CZ 3.86Å; A680-F685 PolarHBondContact O-N 3.35Å
681R87.4Confident88.5Confident103 Ų10343.7 Ų43.739%0.38922%0.223SC..Hα-helixtrans-72.7-42.9178.7-169.3-172.7-41.5113.121.7112.9A677 D678 V679 Y683 G684A677-R681 PolarHBondContact O-N 3.4Å; A677-R681 PolarHBondContact O-NH2 3.36Å; D678-R681 PolarHBondContact O-N 3.43Å; D678-R681 IonicContact OD1-CZ 2.85Å; D678-R681 VanDerWaalsContact OD1-CZ 3.24Å; D678-R681 IonicContact OD1-NH1 3.7Å; D678-R681 PolarHBondContact OD1-NH1 3.5Å; D678-R681 IonicContact OD1-NH2 3.94Å; D678-R681 PolarHBondContact OD1-NH2 2.98Å; V679-R681 VanDerWaalsContact C-N 3.27Å; V679-R681 PolarHBondContact O-N 3.49Å; R681-Y683 VanDerWaalsContact C-N 3.32Å; R681-Y683 PolarHBondContact O-N 2.92Å; R681-G684 PolarHBondContact O-N 3.05Å
682E90.3Very high87.4Confident113 Ų11347.3 Ų47.353%0.52824%0.242SC..Hα-helixtrans-60.3-44.3-179.6-175.2-179.2164.400110.9K669 D678 V679K669-E682 WeakPolarHBondContact CE-OE1 3.48Å; K669-E682 VanDerWaalsContact CE-OE2 3.32Å; K669-E682 WeakPolarHBondContact CE-OE2 3.48Å; K669-E682 IonicContact NZ-OE1 2.74Å; K669-E682 PolarHBondContact NZ-OE1 2.81Å; K669-E682 IonicContact NZ-OE2 3.24Å; D678-E682 WeakPolarHBondContact O-CB 3.42Å; D678-E682 PolarHBondContact O-N 2.8Å; V679-E682 PolarHBondContact O-N 3.17Å; V679-E682 VanDerWaalsContact O-N 3.15Å
683Y87.1Confident86.7Confident54 Ų5441.1 Ų41.121%0.21222%0.222CC..Hα-helixtrans-94.2-3.2-178.1-63.6-81.1000114.3H659 L660 D663 K669 V679 R681H659-Y683 HydrophobicContact CB-CD1 4.1Å; H659-Y683 HydrophobicContact CB-CD2 3.94Å; H659-Y683 HydrophobicContact CB-CE1 4.49Å; H659-Y683 HydrophobicContact CB-CE2 4.36Å; H659-Y683 HydrophobicContact CB-CG 3.8Å; H659-Y683 AromaticContact CG-CG 3.91Å; H659-Y683 AromaticContact ND1-CD1 3.95Å; H659-Y683 AromaticContact ND1-CG 3.91Å; L660-Y683 HydrophobicContact CD2-CE2 4.05Å; D663-Y683 HydrophobicContact CB-CE1 4.01Å; D663-Y683 WeakPolarHBondContact CB-OH 3.44Å; D663-Y683 PolarHBondContact OD2-OH 2.85Å; K669-Y683 VanDerWaalsContact CE-OH 3.26Å; K669-Y683 WeakPolarHBondContact CE-OH 3.42Å; K669-Y683 PolarHBondContact NZ-OH 3.19Å; V679-Y683 HydrophobicContact CG1-CD2 3.64Å; V679-Y683 HydrophobicContact CG1-CE2 3.82Å; V679-Y683 VanDerWaalsContact O-CD2 3.26Å; V679-Y683 WeakPolarHBondContact O-CD2 3.31Å; V679-Y683 PolarHBondContact O-N 2.88Å; R681-Y683 VanDerWaalsContact C-N 3.32Å; R681-Y683 PolarHBondContact O-N 2.92Å
684G84.6Confident85.8Confident37 Ų3743.4 Ų43.438%0.38123%0.229SC..THydrogen-bonded Turntrans74.141.4172.200000114.9A680 R681A680-G684 CarbonylContact O-C 3.57Å; A680-G684 WeakPolarHBondContact O-CA 3.48Å; A680-G684 PolarHBondContact O-N 3.3Å; R681-G684 PolarHBondContact O-N 3.05Å
685F84.1Confident85.2Confident20 Ų2042.4 Ų42.49%0.08822%0.224CC..  trans-123.4163.1175.770.3-86.4000113.1W421 F652 K655 C656 H659 V679 A680W421-F685 HydrophobicContact CZ2-CB 4.37Å; F652-F685 HydrophobicContact CD2-CE2 4.08Å; F652-F685 AromaticContact CE2-CD2 3.98Å; F652-F685 HydrophobicContact CE2-CD2 3.98Å; F652-F685 AromaticContact CE2-CE2 3.6Å; F652-F685 HydrophobicContact CE2-CE2 3.6Å; F652-F685 HydrophobicContact CZ-CE2 4.25Å; K655-F685 HydrophobicContact CB-CD2 3.79Å; K655-F685 HydrophobicContact CB-CE2 3.49Å; K655-F685 VanDerWaalsContact CB-CE2 3.49Å; K655-F685 HydrophobicContact CB-CZ 4.21Å; K655-F685 HydrophobicContact CD-CD2 4.05Å; K655-F685 HydrophobicContact CD-CE2 4.43Å; C656-F685 HydrophobicContact CB-CZ 4.21Å; C656-F685 VanDerWaalsContact SG-CZ 3.56Å; H659-F685 HydrophobicContact CB-CE1 4.36Å; H659-F685 AromaticContact CD2-CD1 3.02Å; H659-F685 WeakPolarHBondContact CD2-CD1 3.43Å; H659-F685 AromaticContact CD2-CE1 3.09Å; H659-F685 WeakPolarHBondContact CD2-CE1 3.47Å; H659-F685 AromaticContact CD2-CG 3.74Å; H659-F685 AromaticContact CD2-CZ 3.92Å; H659-F685 AromaticContact CG-CE1 3.98Å; H659-F685 AromaticContact NE2-CD1 2.94Å; H659-F685 WeakPolarHBondContact NE2-CD1 3.36Å; H659-F685 AromaticContact NE2-CE1 3.58Å; H659-F685 AromaticContact NE2-CG 3.49Å; H659-F685 WeakPolarHBondContact NE2-CG 3.44Å; V679-F685 HydrophobicContact CG1-CE1 4.02Å; V679-F685 HydrophobicContact CG1-CZ 4.07Å; A680-F685 HydrophobicContact CB-CD1 4.44Å; A680-F685 HydrophobicContact CB-CD2 4.15Å; A680-F685 HydrophobicContact CB-CE1 4.2Å; A680-F685 HydrophobicContact CB-CE2 3.82Å; A680-F685 HydrophobicContact CB-CG 4.47Å; A680-F685 HydrophobicContact CB-CZ 3.86Å; A680-F685 PolarHBondContact O-N 3.35Å
686T86.6Confident84.5Confident52 Ų5244.4 Ų44.432%0.31924%0.238SC..  trans-122.3170.9177.249.20000110.5K655 N690K655-T686 WeakPolarHBondContact CD-O 3.32Å; K655-T686 PolarHBondContact NZ-O 2.94Å; T686-N690 WeakPolarHBondContact OG1-CA 3.35Å
687D88.2Confident84.1Confident1 Ų146.1 Ų46.11%0.00524%0.244CC..  trans-68.2179.8177.2-153.7-11.8000111.9S649 F652 K655 N690 K691 V693S649-D687 WeakPolarHBondContact CB-OD1 3.08Å; S649-D687 PolarHBondContact N-OD2 2.98Å; S649-D687 PolarHBondContact OG-OD1 3.26Å; F652-D687 WeakPolarHBondContact CB-OD1 3.36Å; F652-D687 HydrophobicContact CD2-CB 3.7Å; F652-D687 HydrophobicContact CE2-CB 4.08Å; F652-D687 HydrophobicContact CG-CB 4.27Å; K655-D687 PolarHBondContact NZ-O 2.86Å; D687-N690 PolarHBondContact O-N 2.95Å; D687-K691 HydrophobicContact CB-CB 4.2Å; D687-K691 WeakPolarHBondContact CB-O 3.32Å; D687-K691 PolarHBondContact N-O 2.87Å; D687-V693 HydrophobicContact CB-CG2 3.65Å
688V78.5Confident83.8Confident19 Ų1946 Ų4612%0.11524%0.243CC..G310 helixtrans-50.1143.9169.8-70.70000110.4S649 E651 N690 K691S649-V688 VanDerWaalsContact OG-CG2 3.31Å; S649-V688 WeakPolarHBondContact OG-CG2 3.35Å; E651-V688 HydrophobicContact CB-CG1 3.95Å; E651-V688 HydrophobicContact CG-CG1 4.33Å; V688-N690 PolarHBondContact O-N 3.12Å; V688-K691 PolarHBondContact O-N 2.99Å
689N74.4Confident83.6Confident59 Ų5946.7 Ų46.732%0.31625%0.248SC..G310 helixtrans61.725.2-177.7-40.6-33.2000113.8Q388 Q394 K691Q388-N689 WeakPolarHBondContact CG-ND2 3.49Å; Q388-N689 PolarHBondContact NE2-ND2 2.83Å; Q388-N689 VanDerWaalsContact NE2-ND2 3.13Å; Q394-N689 VanDerWaalsContact NE2-CB 3.28Å; Q394-N689 PolarHBondContact NE2-OD1 3.47Å; N689-K691 PolarHBondContact O-N 2.82Å
690N72.9Confident83.1Confident75 Ų7549.9 Ų49.940%0.40126%0.261SS..G310 helixtrans58.621.3-176.1-44.6-55.8000114K418 T686 D687 V688 P692K418-N690 PolarHBondContact NZ-OD1 3.03Å; T686-N690 WeakPolarHBondContact OG1-CA 3.35Å; D687-N690 PolarHBondContact O-N 2.95Å; V688-N690 PolarHBondContact O-N 3.12Å; N690-P692 WeakPolarHBondContact O-CD 3.39Å
691K77.3Confident82.5Confident64 Ų6451 Ų5128%0.27827%0.266SS..PPolyproline II helixtrans-61.4120.9177.2176.3-179.9175.5179.20109.2S645 N646 A647 D687 V688 N689S645-K691 PolarHBondContact O-NZ 3.4Å; N646-K691 PolarHBondContact O-NZ 3.05Å; A647-K691 PolarHBondContact O-NZ 3.15Å; D687-K691 HydrophobicContact CB-CB 4.2Å; D687-K691 WeakPolarHBondContact CB-O 3.32Å; D687-K691 PolarHBondContact N-O 2.87Å; V688-K691 PolarHBondContact O-N 2.99Å; N689-K691 PolarHBondContact O-N 2.82Å
692P75Confident82.3Confident101 Ų10149.5 Ų49.566%0.65627%0.265SS*.PPolyproline II helixtrans-68137.1172.626.8-30.6000109.2N690N690-P692 WeakPolarHBondContact O-CD 3.39Å
693V81.7Confident81.9Confident29 Ų2945.9 Ų45.918%0.17625%0.25CC..PPolyproline II helixtrans-101.9124178.3-176.90000109.5E648 F652 A677 D687E648-V693 HydrophobicContact CG-CG1 3.66Å; E648-V693 HydrophobicContact CG-CG2 4.48Å; E648-V693 WeakPolarHBondContact OE1-CG1 3.32Å; F652-V693 HydrophobicContact CD1-CG1 4.4Å; F652-V693 HydrophobicContact CD1-CG2 4.05Å; F652-V693 HydrophobicContact CD2-CG2 4.13Å; F652-V693 HydrophobicContact CE1-CB 3.76Å; F652-V693 HydrophobicContact CE1-CG1 3.69Å; F652-V693 HydrophobicContact CE1-CG2 3.56Å; F652-V693 HydrophobicContact CE2-CB 4.4Å; F652-V693 HydrophobicContact CE2-CG2 3.66Å; F652-V693 HydrophobicContact CG-CG2 4.29Å; F652-V693 HydrophobicContact CZ-CB 3.6Å; F652-V693 HydrophobicContact CZ-CG1 4.08Å; F652-V693 HydrophobicContact CZ-CG2 3.31Å; A677-V693 HydrophobicContact CB-CG1 4.09Å; D687-V693 HydrophobicContact CB-CG2 3.65Å
694E77.6Confident81.4Confident99 Ų9944.5 Ų44.546%0.46325%0.249SC..PPolyproline II helixtrans-78.3138.8174-69.5-147.2164.400111.5L701E694-L701 HydrophobicContact CB-CD2 4.16Å; E694-L701 WeakPolarHBondContact OE2-CB 3.44Å; E694-L701 WeakPolarHBondContact OE2-CD1 3.37Å; E694-L701 WeakPolarHBondContact OE2-CD2 3.47Å; E694-L701 WeakPolarHBondContact OE2-CG 3.31Å
695S82.5Confident80.9Confident3 Ų345 Ų452%0.02124%0.241CC..PPolyproline II helixtrans-77.5135.5176.6177.70000110.2R697 S698S695-R697 PolarHBondContact O-N 3.1Å; S695-R697 PolarHBondContact OG-N 2.97Å; S695-R697 VanDerWaalsContact OG-N 3.15Å; S695-S698 WeakPolarHBondContact O-CB 3.49Å; S695-S698 PolarHBondContact O-N 2.96Å
696V80.3Confident80.6Confident61 Ų6151.8 Ų51.837%0.3727%0.27SS..THydrogen-bonded Turntrans-58.3-15.8168.4-63.40000113.4F675F675-V696 HydrophobicContact CD1-CG2 3.52Å; F675-V696 HydrophobicContact CE1-CG2 3.48Å; F675-V696 VanDerWaalsContact CE1-CG2 3.48Å
697R86.8Confident80.2Confident37 Ų3753.7 Ų53.714%0.1428%0.279CS..THydrogen-bonded Turntrans-89.2-1.6174.7-52.9-171.2-61.9116.1-2.9113.1F675 D678 S695 V699 R720 I721 M726F675-R697 HydrophobicContact CE1-CG 4.33Å; F675-R697 HydrophobicContact CZ-CG 4.31Å; D678-R697 IonicContact OD1-CZ 3.66Å; D678-R697 IonicContact OD1-NH2 3.59Å; D678-R697 PolarHBondContact OD1-NH2 3.24Å; D678-R697 IonicContact OD2-CZ 3.32Å; D678-R697 IonicContact OD2-NE 2.72Å; D678-R697 PolarHBondContact OD2-NE 2.87Å; D678-R697 IonicContact OD2-NH2 3.25Å; D678-R697 PolarHBondContact OD2-NH2 3.43Å; S695-R697 PolarHBondContact O-N 3.1Å; S695-R697 PolarHBondContact OG-N 2.97Å; S695-R697 VanDerWaalsContact OG-N 3.15Å; R697-V699 PolarHBondContact O-N 2.73Å; R697-R720 HydrophobicContact CB-CB 4.07Å; R697-R720 HydrophobicContact CB-CG 4.47Å; R697-R720 CarbonylContact O-C 3.5Å; R697-R720 WeakPolarHBondContact O-CA 3.28Å; R697-R720 WeakPolarHBondContact O-CB 3.25Å; R697-I721 PolarHBondContact NH1-O 3.2Å; R697-I721 PolarHBondContact O-N 3.3Å; R697-M726 HydrophobicContact CG-CE 4.22Å; R697-M726 HydrophobicContact CG-SD 3.94Å
698S86.4Confident79.9Confident4 Ų458.3 Ų58.33%0.02830%0.3CS..BIsolated β-bridgetrans-62.6116.1-179.9174.80000110.5S695 K700 L701 L702S695-S698 WeakPolarHBondContact O-CB 3.49Å; S695-S698 PolarHBondContact O-N 2.96Å; S698-K700 VanDerWaalsContact C-N 3.25Å; S698-K700 PolarHBondContact O-N 3.49Å; S698-L701 PolarHBondContact O-N 2.94Å; S698-L701 PolarHBondContact OG-N 3.1Å; S698-L702 WeakPolarHBondContact O-CB 3.39Å; S698-L702 VanDerWaalsContact O-CG 3.32Å; S698-L702 WeakPolarHBondContact O-CG 3.46Å; S698-L702 PolarHBondContact O-N 2.99Å
699V87.3Confident80Confident39 Ų3962.7 Ų62.724%0.23632%0.319CS..Hα-helixtrans-64.4-37.1178.3177.10000110.2R697 L702 L703 V715 V719 I721R697-V699 PolarHBondContact O-N 2.73Å; V699-L702 PolarHBondContact O-N 3.34Å; V699-L703 HydrophobicContact CG1-CD1 3.95Å; V699-L703 HydrophobicContact CG1-CG 4.42Å; V699-L703 WeakPolarHBondContact O-CB 3.14Å; V699-L703 VanDerWaalsContact O-CG 3.31Å; V699-L703 WeakPolarHBondContact O-CG 3.48Å; V699-L703 PolarHBondContact O-N 3.2Å; V699-V715 HydrophobicContact CB-CG1 4Å; V699-V715 HydrophobicContact CG1-CG1 3.99Å; V699-V715 HydrophobicContact CG1-CG2 4.47Å; V699-V719 HydrophobicContact CB-CG1 4.18Å; V699-V719 HydrophobicContact CG2-CG1 3.92Å; V699-V719 PolarHBondContact N-O 3.11Å; V699-V719 VanDerWaalsContact N-O 3.11Å; V699-I721 HydrophobicContact CG2-CG1 3.89Å
700K84.3Confident80.3Confident70 Ų7065.6 Ų65.630%0.30434%0.339SS..Hα-helixtrans-57.5-51.7174.3179.1172.7-167.5173.50111.7S698 L702 L703 A704 S712 V715S698-K700 VanDerWaalsContact C-N 3.25Å; S698-K700 PolarHBondContact O-N 3.49Å; K700-L702 PolarHBondContact O-N 3.42Å; K700-L703 PolarHBondContact O-N 3.43Å; K700-A704 PolarHBondContact O-N 2.99Å; K700-S712 WeakPolarHBondContact CG-O 3.38Å; K700-V715 HydrophobicContact CB-CB 4.32Å; K700-V715 HydrophobicContact CB-CG1 4.18Å; K700-V715 WeakPolarHBondContact CD-O 3.48Å
701L79.1Confident80.9Confident32 Ų3266.5 Ų66.517%0.16834%0.343CS..Hα-helixtrans-64.5-41.7-178.7-169.665.3000111.4E694 S698 L703 A704 K705E694-L701 HydrophobicContact CB-CD2 4.16Å; E694-L701 WeakPolarHBondContact OE2-CB 3.44Å; E694-L701 WeakPolarHBondContact OE2-CD1 3.37Å; E694-L701 WeakPolarHBondContact OE2-CD2 3.47Å; E694-L701 WeakPolarHBondContact OE2-CG 3.31Å; S698-L701 PolarHBondContact O-N 2.94Å; S698-L701 PolarHBondContact OG-N 3.1Å; L701-L703 PolarHBondContact O-N 3.29Å; L701-A704 PolarHBondContact O-N 3.48Å; L701-K705 WeakPolarHBondContact O-CG 3.35Å; L701-K705 PolarHBondContact O-N 3.3Å
702L82.3Confident81.1Confident70 Ų7064 Ų6437%0.36633%0.334SS..Hα-helixtrans-64.2-38.5178.3-72.9168.2000112.4S698 V699 K700 K706 I721S698-L702 WeakPolarHBondContact O-CB 3.39Å; S698-L702 VanDerWaalsContact O-CG 3.32Å; S698-L702 WeakPolarHBondContact O-CG 3.46Å; S698-L702 PolarHBondContact O-N 2.99Å; V699-L702 PolarHBondContact O-N 3.34Å; K700-L702 PolarHBondContact O-N 3.42Å; L702-K706 PolarHBondContact O-N 3.28Å; L702-I721 HydrophobicContact CD1-CD1 3.37Å; L702-I721 HydrophobicContact CD1-CG1 4.16Å
703L84Confident81.4Confident38 Ų3862.7 Ų62.720%0.19933%0.332CS..Hα-helixtrans-66.4-44173.7-74.7166.8000111.5V699 K700 L701 K705 K706 H708 L711 V715V699-L703 HydrophobicContact CG1-CD1 3.95Å; V699-L703 HydrophobicContact CG1-CG 4.42Å; V699-L703 WeakPolarHBondContact O-CB 3.14Å; V699-L703 VanDerWaalsContact O-CG 3.31Å; V699-L703 WeakPolarHBondContact O-CG 3.48Å; V699-L703 PolarHBondContact O-N 3.2Å; K700-L703 PolarHBondContact O-N 3.43Å; L701-L703 PolarHBondContact O-N 3.29Å; L703-K705 VanDerWaalsContact C-N 3.34Å; L703-K705 PolarHBondContact O-N 3.28Å; L703-K706 PolarHBondContact O-N 3.45Å; L703-H708 HydrophobicContact CB-CB 4.32Å; L703-H708 HydrophobicContact CD2-CB 4.14Å; L703-H708 WeakPolarHBondContact O-CA 3.4Å; L703-H708 WeakPolarHBondContact O-CB 3.49Å; L703-H708 PolarHBondContact O-N 2.97Å; L703-L711 HydrophobicContact CD1-CB 4.28Å; L703-L711 HydrophobicContact CD2-CB 4.4Å; L703-V715 HydrophobicContact CD1-CB 4.34Å; L703-V715 HydrophobicContact CD1-CG2 3.57Å
704A75Confident81.7Confident24 Ų2468 Ų6820%0.19836%0.358CS..Hα-helixtrans-59.4-45177.400000111.6K700 L701 K706 N707 H709K700-A704 PolarHBondContact O-N 2.99Å; L701-A704 PolarHBondContact O-N 3.48Å; A704-K706 PolarHBondContact O-N 2.96Å; A704-N707 PolarHBondContact O-N 3.22Å; A704-N707 VanDerWaalsContact O-N 3.11Å; A704-H709 PolarHBondContact O-CE1 3.2Å
705K74.4Confident82Confident49 Ų4964.7 Ų64.721%0.21334%0.344CS..Hα-helixtrans-66.8-20178.4-75.8-173.9175.2-170.70114.7L635 L701 L703 N707L635-K705 HydrophobicContact CD2-CD 4.19Å; L701-K705 WeakPolarHBondContact O-CG 3.35Å; L701-K705 PolarHBondContact O-N 3.3Å; L703-K705 VanDerWaalsContact C-N 3.34Å; L703-K705 PolarHBondContact O-N 3.28Å; K705-N707 VanDerWaalsContact C-N 3.32Å
706K78.7Confident82Confident162 Ų16267.3 Ų67.370%0.70436%0.362SS*.THydrogen-bonded Turntrans-95.423.2173.6-72.1-161.6175.2-167.70112.6L702 L703 A704 H708L702-K706 PolarHBondContact O-N 3.28Å; L703-K706 PolarHBondContact O-N 3.45Å; A704-K706 PolarHBondContact O-N 2.96Å; K706-H708 PolarHBondContact O-CD2 2.77Å; K706-H708 VanDerWaalsContact O-CD2 3.22Å; K706-H708 PolarHBondContact O-N 3.11Å; K706-H708 VanDerWaalsContact O-N 3.12Å
707N77.8Confident81.8Confident92 Ų9267.9 Ų67.949%0.49237%0.368SS..THydrogen-bonded Turntrans58.121-177.8-68.9-24.9000114.6E636 A704 K705 H709E636-N707 PolarHBondContact OE2-ND2 3.33Å; E636-N707 VanDerWaalsContact OE2-ND2 3.15Å; A704-N707 PolarHBondContact O-N 3.22Å; A704-N707 VanDerWaalsContact O-N 3.11Å; K705-N707 VanDerWaalsContact C-N 3.32Å; N707-H709 VanDerWaalsContact C-N 3.34Å; N707-H709 PolarHBondContact O-N 3.12Å
708H82.4Confident81.5Confident97 Ų9774.9 Ų74.945%0.44940%0.395SS..  trans-94.754.3174.1-65.9-74.8000111.4L703 K706 T710 L711 S712L703-H708 HydrophobicContact CB-CB 4.32Å; L703-H708 HydrophobicContact CD2-CB 4.14Å; L703-H708 WeakPolarHBondContact O-CA 3.4Å; L703-H708 WeakPolarHBondContact O-CB 3.49Å; L703-H708 PolarHBondContact O-N 2.97Å; K706-H708 PolarHBondContact O-CD2 2.77Å; K706-H708 VanDerWaalsContact O-CD2 3.22Å; K706-H708 PolarHBondContact O-N 3.11Å; K706-H708 VanDerWaalsContact O-N 3.12Å; H708-T710 VanDerWaalsContact C-N 3.33Å; H708-T710 PolarHBondContact O-N 3.45Å; H708-L711 HydrophobicContact CB-CB 4.22Å; H708-L711 HydrophobicContact CB-CD1 4.49Å; H708-L711 PolarHBondContact O-N 3.34Å; H708-S712 WeakPolarHBondContact O-CB 3.44Å; H708-S712 PolarHBondContact O-N 2.87Å
709H79.6Confident81.5Confident111 Ų11177 Ų7751%0.51441%0.408SS..Hα-helixtrans-58.6-38.8-173.3-61.4-71.6000113.9A704 N707 S712 A713A704-H709 PolarHBondContact O-CE1 3.2Å; N707-H709 VanDerWaalsContact C-N 3.34Å; N707-H709 PolarHBondContact O-N 3.12Å; H709-S712 WeakPolarHBondContact O-CB 3.42Å; H709-S712 PolarHBondContact O-N 3.43Å; H709-A713 PolarHBondContact O-N 2.92Å
710T81.4Confident81.5Confident120 Ų12078.2 Ų78.274%0.73641%0.408SS*.Hα-helixtrans-64.8-43.2179.5-22.80000111.9H708 A713H708-T710 VanDerWaalsContact C-N 3.33Å; H708-T710 PolarHBondContact O-N 3.45Å; T710-A713 PolarHBondContact O-N 3.48Å
711L84.9Confident81.8Confident94 Ų9477.2 Ų77.249%0.49241%0.405SS..Hα-helixtrans-68.1-42.6175.4-97.3152.1000111.1L703 H708 A713 L714 V715L703-L711 HydrophobicContact CD1-CB 4.28Å; L703-L711 HydrophobicContact CD2-CB 4.4Å; H708-L711 HydrophobicContact CB-CB 4.22Å; H708-L711 HydrophobicContact CB-CD1 4.49Å; H708-L711 PolarHBondContact O-N 3.34Å; L711-A713 VanDerWaalsContact C-N 3.29Å; L711-A713 PolarHBondContact O-N 3.2Å; L711-L714 PolarHBondContact O-N 2.96Å; L711-L714 VanDerWaalsContact O-N 3.13Å; L711-V715 WeakPolarHBondContact O-CG2 3.41Å; L711-V715 PolarHBondContact O-N 2.8Å
712S82.2Confident82.3Confident13 Ų1378.1 Ų78.19%0.09141%0.413CS..Hα-helixtrans-54-45173.3147.40000111.9K700 H708 H709 L714 V715K700-S712 WeakPolarHBondContact CG-O 3.38Å; H708-S712 WeakPolarHBondContact O-CB 3.44Å; H708-S712 PolarHBondContact O-N 2.87Å; H709-S712 WeakPolarHBondContact O-CB 3.42Å; H709-S712 PolarHBondContact O-N 3.43Å; S712-L714 PolarHBondContact O-N 3.12Å; S712-V715 PolarHBondContact O-N 3.33Å; S712-V715 VanDerWaalsContact O-N 3.1Å
713A80.7Confident82.6Confident73 Ų7376.3 Ų76.360%0.60341%0.412SS*.Hα-helixtrans-61.3-29.1-179.500000113H709 T710 L711H709-A713 PolarHBondContact O-N 2.92Å; T710-A713 PolarHBondContact O-N 3.48Å; L711-A713 VanDerWaalsContact C-N 3.29Å; L711-A713 PolarHBondContact O-N 3.2Å
714L87.7Confident82.8Confident141 Ų14183.2 Ų83.274%0.73844%0.435SS*.Hα-helixtrans-83.4-20.3178.4-64170.2000113.5L711 S712 P716L711-L714 PolarHBondContact O-N 2.96Å; L711-L714 VanDerWaalsContact O-N 3.13Å; S712-L714 PolarHBondContact O-N 3.12Å; L714-P716 WeakPolarHBondContact O-CD 3.17Å
715V83.8Confident83.6Confident28 Ų2885.7 Ų85.717%0.1745%0.445CS..SBendtrans-85.9123.9-178.1175.80000110.3V699 K700 L703 L711 S712 V719V699-V715 HydrophobicContact CB-CG1 4Å; V699-V715 HydrophobicContact CG1-CG1 3.99Å; V699-V715 HydrophobicContact CG1-CG2 4.47Å; K700-V715 HydrophobicContact CB-CB 4.32Å; K700-V715 HydrophobicContact CB-CG1 4.18Å; K700-V715 WeakPolarHBondContact CD-O 3.48Å; L703-V715 HydrophobicContact CD1-CB 4.34Å; L703-V715 HydrophobicContact CD1-CG2 3.57Å; L711-V715 WeakPolarHBondContact O-CG2 3.41Å; L711-V715 PolarHBondContact O-N 2.8Å; S712-V715 PolarHBondContact O-N 3.33Å; S712-V715 VanDerWaalsContact O-N 3.1Å; V715-V719 HydrophobicContact CG1-CB 4.05Å; V715-V719 HydrophobicContact CG1-CG1 4.48Å; V715-V719 HydrophobicContact CG1-CG2 4.45Å
716P83.6Confident84.3Confident59 Ų5984.8 Ų84.838%0.38344%0.442SS..  trans-62.1140.9175.6-19.329.8000112.1L714 W718 V719L714-P716 WeakPolarHBondContact O-CD 3.17Å; P716-W718 HydrophobicContact CB-CD2 4.35Å; P716-W718 HydrophobicContact CB-CG 4.25Å; P716-W718 HydrophobicContact CB-CZ2 4.33Å; P716-W718 HydrophobicContact CG-CZ2 4.4Å; P716-W718 PolarHBondContact O-N 3.3Å; P716-V719 HydrophobicContact CB-CG2 4.13Å; P716-V719 HydrophobicContact CG-CG2 4.18Å; P716-V719 PolarHBondContact O-N 3.33Å
717S76.2Confident84.8Confident73 Ų7381 Ų8151%0.5143%0.432SS..THydrogen-bonded Turntrans-62.6-13.9-17756.90000114.9
718W79.1Confident85.5Confident184 Ų18479.2 Ų79.270%0.69743%0.43SS*.THydrogen-bonded Turntrans-89.5-10.7178.256.9-92.2000113.9P716 R720P716-W718 HydrophobicContact CB-CD2 4.35Å; P716-W718 HydrophobicContact CB-CG 4.25Å; P716-W718 HydrophobicContact CB-CZ2 4.33Å; P716-W718 HydrophobicContact CG-CZ2 4.4Å; P716-W718 PolarHBondContact O-N 3.3Å; W718-R720 PolarHBondContact O-NH1 3.17Å; W718-R720 VanDerWaalsContact O-NH1 3.1Å
719V86.8Confident85.8Confident49 Ų4978.6 Ų78.630%0.29744%0.437SS..  trans-75.3125.3177.8-178.80000110V699 V715 P716V699-V719 HydrophobicContact CB-CG1 4.18Å; V699-V719 HydrophobicContact CG2-CG1 3.92Å; V699-V719 PolarHBondContact N-O 3.11Å; V699-V719 VanDerWaalsContact N-O 3.11Å; V715-V719 HydrophobicContact CG1-CB 4.05Å; V715-V719 HydrophobicContact CG1-CG1 4.48Å; V715-V719 HydrophobicContact CG1-CG2 4.45Å; P716-V719 HydrophobicContact CB-CG2 4.13Å; P716-V719 HydrophobicContact CG-CG2 4.18Å; P716-V719 PolarHBondContact O-N 3.33Å
720R88.7Confident86.2Confident63 Ų6376 Ų7624%0.23843%0.426CS..BIsolated β-bridgetrans-134.4145.5-176.5-63.8-176.5-169.883.48.7112.9R697 W718 P722R697-R720 HydrophobicContact CB-CB 4.07Å; R697-R720 HydrophobicContact CB-CG 4.47Å; R697-R720 CarbonylContact O-C 3.5Å; R697-R720 WeakPolarHBondContact O-CA 3.28Å; R697-R720 WeakPolarHBondContact O-CB 3.25Å; W718-R720 PolarHBondContact O-NH1 3.17Å; W718-R720 VanDerWaalsContact O-NH1 3.1Å; R720-P722 WeakPolarHBondContact O-CD 3.48Å
721I90.1Very high86.5Confident49 Ų4973 Ų7325%0.25141%0.41SS..  trans-62.1121169.7-57.6-174.8000108.4R697 V699 L702 L725 M726R697-I721 PolarHBondContact NH1-O 3.2Å; R697-I721 PolarHBondContact O-N 3.3Å; V699-I721 HydrophobicContact CG2-CG1 3.89Å; L702-I721 HydrophobicContact CD1-CD1 3.37Å; L702-I721 HydrophobicContact CD1-CG1 4.16Å; I721-L725 HydrophobicContact CG2-CB 4.2Å; I721-L725 HydrophobicContact CG2-CD2 4.15Å; I721-L725 HydrophobicContact CG2-CG 4.39Å; I721-M726 HydrophobicContact CB-CG 4.42Å; I721-M726 HydrophobicContact CG2-CG 3.64Å
722P90.1Very high86.5Confident51 Ų5178 Ų7833%0.33143%0.428SS..  trans-58.9140.5175.8-22.332.9000111.3R720 W724 L725 M726R720-P722 WeakPolarHBondContact O-CD 3.48Å; P722-W724 VanDerWaalsContact C-N 3.27Å; P722-W724 HydrophobicContact CB-CG 4.28Å; P722-W724 VanDerWaalsContact CB-NE1 3.27Å; P722-W724 PolarHBondContact O-N 2.88Å; P722-L725 HydrophobicContact CB-CB 4.37Å; P722-L725 WeakPolarHBondContact O-CB 3.45Å; P722-L725 PolarHBondContact O-N 2.6Å; P722-M726 PolarHBondContact O-N 2.99Å
723G87.3Confident86.4Confident33 Ų3388.2 Ų88.234%0.3448%0.48SS..Hα-helixtrans-57-39.6-177.700000113.3L725 M726 V727G723-L725 PolarHBondContact O-N 2.94Å; G723-M726 PolarHBondContact O-N 3.49Å; G723-M726 VanDerWaalsContact O-N 3.16Å; G723-V727 PolarHBondContact O-N 3.01Å; G723-V727 VanDerWaalsContact O-N 3.14Å
724W89Confident86.7Confident182 Ų18289 Ų8969%0.68947%0.474SS*.Hα-helixtrans-61.5-32.2176.668.4-99.6000112.7P722 V727 A728P722-W724 VanDerWaalsContact C-N 3.27Å; P722-W724 HydrophobicContact CB-CG 4.28Å; P722-W724 VanDerWaalsContact CB-NE1 3.27Å; P722-W724 PolarHBondContact O-N 2.88Å; W724-V727 PolarHBondContact O-N 3.06Å; W724-A728 VanDerWaalsContact O-CB 3.32Å; W724-A728 WeakPolarHBondContact O-CB 3.44Å; W724-A728 PolarHBondContact O-N 3.26Å
725L91.5Very high86.7Confident76 Ų7686.2 Ų86.240%0.39846%0.46SS..Hα-helixtrans-71.8-35.2178.9-172.962.8000110.9I721 P722 G723 A728 S729I721-L725 HydrophobicContact CG2-CB 4.2Å; I721-L725 HydrophobicContact CG2-CD2 4.15Å; I721-L725 HydrophobicContact CG2-CG 4.39Å; P722-L725 HydrophobicContact CB-CB 4.37Å; P722-L725 WeakPolarHBondContact O-CB 3.45Å; P722-L725 PolarHBondContact O-N 2.6Å; G723-L725 PolarHBondContact O-N 2.94Å; L725-A728 PolarHBondContact O-N 3.13Å; L725-S729 WeakPolarHBondContact O-CB 3.43Å; L725-S729 PolarHBondContact O-N 3.29Å; L725-S729 PolarHBondContact O-OG 3.21Å
726M88.8Confident86.8Confident31 Ų3189.4 Ų89.415%0.15348%0.476CS..Hα-helixtrans-66.9-37.6173.3-57.3-155.3-42.300112.4L573 F675 R697 I721 P722 G723 S729 N730L573-M726 HydrophobicContact CD1-CB 4.39Å; L573-M726 HydrophobicContact CD1-CE 4.03Å; F675-M726 HydrophobicContact CE1-CE 4.13Å; F675-M726 HydrophobicContact CE2-CE 4.26Å; F675-M726 HydrophobicContact CZ-CE 3.41Å; F675-M726 VanDerWaalsContact CZ-CE 3.41Å; R697-M726 HydrophobicContact CG-CE 4.22Å; R697-M726 HydrophobicContact CG-SD 3.94Å; I721-M726 HydrophobicContact CB-CG 4.42Å; I721-M726 HydrophobicContact CG2-CG 3.64Å; P722-M726 PolarHBondContact O-N 2.99Å; G723-M726 PolarHBondContact O-N 3.49Å; G723-M726 VanDerWaalsContact O-N 3.16Å; M726-S729 PolarHBondContact O-OG 2.94Å; M726-N730 PolarHBondContact O-N 3.45Å; M726-N730 PolarHBondContact O-ND2 3.29Å
727V89Confident87Confident82 Ų8291.2 Ų91.250%0.49748%0.482SS..Hα-helixtrans-65.9-49.8173.6177.30000109.6L573 G723 W724 S729 N730 S731L573-V727 HydrophobicContact CD2-CG2 3.98Å; G723-V727 PolarHBondContact O-N 3.01Å; G723-V727 VanDerWaalsContact O-N 3.14Å; W724-V727 PolarHBondContact O-N 3.06Å; V727-S729 VanDerWaalsContact C-N 3.31Å; V727-S729 PolarHBondContact O-N 2.9Å; V727-N730 CarbonylContact O-C 3.6Å; V727-N730 PolarHBondContact O-N 3.35Å; V727-N730 VanDerWaalsContact O-N 3.09Å; V727-S731 PolarHBondContact O-N 3.37Å
728A91.7Very high87.7Confident54 Ų5492.4 Ų92.445%0.44648%0.48SS..Hα-helixtrans-58.6-41.2179.900000112.3W724 L725 N730 S731W724-A728 VanDerWaalsContact O-CB 3.32Å; W724-A728 WeakPolarHBondContact O-CB 3.44Å; W724-A728 PolarHBondContact O-N 3.26Å; L725-A728 PolarHBondContact O-N 3.13Å; A728-N730 PolarHBondContact O-N 3.24Å; A728-S731 WeakPolarHBondContact O-CB 3.48Å; A728-S731 PolarHBondContact O-N 3.16Å
729S89.6Confident88.2Confident85 Ų8586.3 Ų86.359%0.59447%0.466SS*.Hα-helixtrans-66.9-22.1179.1690000114L725 M726 V727L725-S729 WeakPolarHBondContact O-CB 3.43Å; L725-S729 PolarHBondContact O-N 3.29Å; L725-S729 PolarHBondContact O-OG 3.21Å; M726-S729 PolarHBondContact O-OG 2.94Å; V727-S729 VanDerWaalsContact C-N 3.31Å; V727-S729 PolarHBondContact O-N 2.9Å
730N89Confident88.4Confident55 Ų5588.9 Ų88.929%0.29448%0.478SS..Hα-helixtrans-105.2-5.8178.3-70.2-72.1000112.9L573 F574 M726 V727 A728L573-N730 VanDerWaalsContact O-CB 3.27Å; L573-N730 WeakPolarHBondContact O-CB 3.41Å; F574-N730 WeakPolarHBondContact CB-OD1 3.41Å; M726-N730 PolarHBondContact O-N 3.45Å; M726-N730 PolarHBondContact O-ND2 3.29Å; V727-N730 CarbonylContact O-C 3.6Å; V727-N730 PolarHBondContact O-N 3.35Å; V727-N730 VanDerWaalsContact O-N 3.09Å; A728-N730 PolarHBondContact O-N 3.24Å
731S87Confident88.3Confident57 Ų5790.9 Ų90.940%0.39950%0.496SS..  trans-58.7141.4175.1-175.60000110.4V727 A728 L733V727-S731 PolarHBondContact O-N 3.37Å; A728-S731 WeakPolarHBondContact O-CB 3.48Å; A728-S731 PolarHBondContact O-N 3.16Å; S731-L733 PolarHBondContact OG-N 3.17Å; S731-L733 VanDerWaalsContact OG-N 3.16Å; S731-L733 PolarHBondContact OG-O 3.1Å
732K84Confident88.2Confident200 Ų20094.4 Ų94.487%0.8752%0.517SS*.  trans-111.24.2169.6-58.4-60.8179.9-1710112.3
733L81.2Confident88Confident227 Ų22798.4 Ų98.4100%1.18853%0.534SS*.  trans-84.40171.4-72171.1000111.4S731S731-L733 PolarHBondContact OG-N 3.17Å; S731-L733 VanDerWaalsContact OG-N 3.16Å; S731-L733 PolarHBondContact OG-O 3.1Å

Retrieved 733 of 733 residues in 1235.3 ms (Link to these results)

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