A0A077ZQT5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZQT5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 185 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
1M79.9Confident85Confident78 Ų7853.5 Ų53.538%0.38424%0.244SC..  0131.30-174172.2-179.400109Y3 D70 I71 L72M1-Y3 HydrophobicContact CE-CE1 3.77Å; M1-Y3 HydrophobicContact CG-CE2 4.3Å; M1-Y3 HydrophobicContact SD-CE1 4.47Å; M1-Y3 HydrophobicContact SD-CE2 4.48Å; M1-Y3 PolarHBondContact SD-OH 3.01Å; M1-D70 HydrophobicContact CE-CB 3.38Å; M1-D70 WeakPolarHBondContact CE-OD2 3.36Å; M1-D70 HydrophobicContact CG-CB 4.45Å; M1-I71 WeakPolarHBondContact CA-O 3.35Å; M1-L72 HydrophobicContact CG-CD2 4.19Å; M1-L72 HydrophobicContact SD-CD2 4.3Å
2L84.7Confident85.6Confident0 Ų065.9 Ų65.90%029%0.287CS..EExtended strand (participates in β ladder)trans-116132.1-179.9-74.8174.9000109.9I71 V73 A80 V83 R84 P97L2-I71 HydrophobicContact CB-CB 4.26Å; L2-I71 PolarHBondContact N-O 2.75Å; L2-I71 PolarHBondContact O-N 2.87Å; L2-V73 HydrophobicContact CB-CG2 4.5Å; L2-V73 HydrophobicContact CD1-CG2 3.73Å; L2-V73 HydrophobicContact CG-CG2 3.96Å; L2-A80 HydrophobicContact CD1-CB 4.24Å; L2-A80 HydrophobicContact CD2-CB 4.03Å; L2-A80 HydrophobicContact CG-CB 4.16Å; L2-V83 HydrophobicContact CD1-CB 3.79Å; L2-V83 HydrophobicContact CD1-CG1 3.9Å; L2-R84 HydrophobicContact CD1-CG 4.11Å; L2-R84 HydrophobicContact CD2-CG 4.19Å; L2-P97 HydrophobicContact CD2-CB 4.4Å; L2-P97 HydrophobicContact CD2-CG 4.09Å
3Y86Confident86Confident112 Ų11262.4 Ų62.444%0.43927%0.274SS..EExtended strand (participates in β ladder)trans-103.3137.8179.2-65.1-85.4000110.3M1 D70 C94 K95M1-Y3 HydrophobicContact CE-CE1 3.77Å; M1-Y3 HydrophobicContact CG-CE2 4.3Å; M1-Y3 HydrophobicContact SD-CE1 4.47Å; M1-Y3 HydrophobicContact SD-CE2 4.48Å; M1-Y3 PolarHBondContact SD-OH 3.01Å; Y3-D70 WeakPolarHBondContact CD1-OD1 3.44Å; Y3-D70 WeakPolarHBondContact CE1-OD1 3.34Å; Y3-C94 CarbonylContact O-C 3.54Å; Y3-C94 WeakPolarHBondContact O-CA 3.31Å; Y3-K95 PolarHBondContact O-N 3.49Å
4L85.4Confident86.4Confident15 Ų1567.4 Ų67.48%0.07930%0.299CS..BIsolated β-bridgetrans-81.9134.6173.8-66.5172.2000110.8L7 M46 V50 L92L4-L7 HydrophobicContact CB-CD1 4.31Å; L4-M46 HydrophobicContact CD1-CE 3.15Å; L4-M46 HydrophobicContact CG-CE 4.41Å; L4-V50 HydrophobicContact CD1-CG2 3.75Å; L4-L92 HydrophobicContact CD2-CB 4.23Å
5K84.4Confident86.7Confident100 Ų10072.1 Ų72.144%0.43532%0.319SS..THydrogen-bonded Turntrans-79.5140-179.8-176178161-1510109.8L7 Q10 E93K5-L7 VanDerWaalsContact C-N 3.3Å; K5-L7 PolarHBondContact O-N 3.29Å; K5-Q10 WeakPolarHBondContact O-CG 3.41Å; K5-Q10 PolarHBondContact O-NE2 3.3Å; K5-E93 HydrophobicContact CB-CB 4.13Å; K5-E93 WeakPolarHBondContact CD-OE2 3.42Å; K5-E93 PolarHBondContact N-O 3.27Å; K5-E93 IonicContact NZ-OE2 2.83Å; K5-E93 PolarHBondContact NZ-OE2 2.91Å
6K82.7Confident87.2Confident125 Ų12571.8 Ų71.854%0.54333%0.328SS..THydrogen-bonded Turntrans48.552.4-178-62-178176.5-174.10111.7L9 Q10K6-L9 HydrophobicContact CB-CB 4.26Å; K6-L9 WeakPolarHBondContact O-CB 3.5Å; K6-L9 PolarHBondContact O-N 3.17Å; K6-Q10 PolarHBondContact O-N 3.17Å
7L77.6Confident87.4Confident39 Ų3972.4 Ų72.420%0.20433%0.334CS..THydrogen-bonded Turntrans-44142.8-177.8-178.765.5000112.5L4 K5 L9 F37 M46 D69L4-L7 HydrophobicContact CB-CD1 4.31Å; K5-L7 VanDerWaalsContact C-N 3.3Å; K5-L7 PolarHBondContact O-N 3.29Å; L7-L9 PolarHBondContact O-N 2.92Å; L7-F37 HydrophobicContact CB-CE1 4.49Å; L7-F37 WeakPolarHBondContact O-CE1 3.14Å; L7-F37 WeakPolarHBondContact O-CZ 3.31Å; L7-M46 HydrophobicContact CD1-CE 4.3Å; L7-M46 HydrophobicContact CD1-CG 4.17Å; L7-D69 HydrophobicContact CD1-CB 3.53Å; L7-D69 HydrophobicContact CD2-CB 3.42Å; L7-D69 VanDerWaalsContact CD2-CB 3.42Å; L7-D69 HydrophobicContact CG-CB 4.06Å
8Y86.7Confident87.7Confident24 Ų2471.1 Ų71.19%0.09433%0.326CS..THydrogen-bonded Turntrans59.2-40.7-169.8-47.8-54.4000116Q10 V11 L35 F37 A42 M46 D69Y8-Q10 PolarHBondContact O-N 3.17Å; Y8-V11 WeakPolarHBondContact O-CB 3.3Å; Y8-V11 PolarHBondContact O-N 3.23Å; Y8-L35 CarbonylContact C-O 3.55Å; Y8-L35 VanDerWaalsContact CB-O 3.23Å; Y8-L35 WeakPolarHBondContact CB-O 3.23Å; Y8-L35 HydrophobicContact CD1-CD2 3.9Å; Y8-L35 HydrophobicContact CG-CD2 4.34Å; Y8-L35 WeakPolarHBondContact O-CB 3.14Å; Y8-F37 AromaticContact CD2-CD1 3.51Å; Y8-F37 HydrophobicContact CD2-CD1 3.51Å; Y8-F37 AromaticContact CD2-CE1 3.74Å; Y8-F37 HydrophobicContact CD2-CE1 3.74Å; Y8-F37 HydrophobicContact CD2-CG 4.36Å; Y8-F37 HydrophobicContact CE2-CD1 4.05Å; Y8-F37 HydrophobicContact CE2-CE1 4.44Å; Y8-A42 HydrophobicContact CD1-CB 3.92Å; Y8-A42 HydrophobicContact CD2-CB 4.46Å; Y8-A42 HydrophobicContact CE1-CB 3.86Å; Y8-A42 HydrophobicContact CE2-CB 4.39Å; Y8-A42 HydrophobicContact CG-CB 4.23Å; Y8-M46 HydrophobicContact CD1-CB 3.96Å; Y8-M46 HydrophobicContact CD1-CG 4.16Å; Y8-M46 HydrophobicContact CD1-SD 4.32Å; Y8-M46 HydrophobicContact CE1-CB 3.7Å; Y8-M46 HydrophobicContact CE1-CG 4.08Å; Y8-D69 WeakPolarHBondContact CE1-OD1 3.34Å; Y8-D69 PolarHBondContact OH-OD1 3.14Å; Y8-D69 PolarHBondContact OH-OD2 2.83Å
9L88.6Confident87.8Confident40 Ų4070.7 Ų70.721%0.20933%0.331CS..THydrogen-bonded Turntrans-62.2-17.9179.5-63.8179.7000113.2K6 L7 V11 R34 F37 V162K6-L9 HydrophobicContact CB-CB 4.26Å; K6-L9 WeakPolarHBondContact O-CB 3.5Å; K6-L9 PolarHBondContact O-N 3.17Å; L7-L9 PolarHBondContact O-N 2.92Å; L9-V11 VanDerWaalsContact C-N 3.26Å; L9-V11 PolarHBondContact O-N 3.36Å; L9-R34 HydrophobicContact CD2-CB 4.26Å; L9-R34 WeakPolarHBondContact O-CD 3.12Å; L9-R34 WeakPolarHBondContact O-CG 3.16Å; L9-R34 PolarHBondContact O-NH1 3.09Å; L9-F37 HydrophobicContact CD1-CE2 3.72Å; L9-F37 HydrophobicContact CD1-CZ 4.03Å; L9-F37 HydrophobicContact CD2-CE2 3.93Å; L9-F37 HydrophobicContact CG-CE2 3.59Å; L9-F37 HydrophobicContact CG-CZ 3.83Å; L9-V162 HydrophobicContact CD2-CG1 4.03Å
10Q89.4Confident87.9Confident32 Ų3276.7 Ų76.715%0.1535%0.352CS..THydrogen-bonded Turntrans-68.9-25.7172.1-57.9-164.466.200112.9K5 K6 Y8 G91 L92 E93K5-Q10 WeakPolarHBondContact O-CG 3.41Å; K5-Q10 PolarHBondContact O-NE2 3.3Å; K6-Q10 PolarHBondContact O-N 3.17Å; Y8-Q10 PolarHBondContact O-N 3.17Å; Q10-G91 PolarHBondContact OE1-O 3.12Å; Q10-G91 VanDerWaalsContact OE1-O 3.13Å; Q10-L92 HydrophobicContact CB-CD2 4.37Å; Q10-E93 PolarHBondContact NE2-O 2.94Å
11V89.9Confident87.9Confident24 Ų2474 Ų7415%0.14534%0.339CS..SBendtrans-87.9117.8-175.9-177.20000109.6Y8 L9 R34 L35 M46 I49Y8-V11 WeakPolarHBondContact O-CB 3.3Å; Y8-V11 PolarHBondContact O-N 3.23Å; L9-V11 VanDerWaalsContact C-N 3.26Å; L9-V11 PolarHBondContact O-N 3.36Å; V11-R34 CarbonylContact O-C 3.52Å; V11-R34 WeakPolarHBondContact O-CA 3.39Å; V11-L35 HydrophobicContact CB-CB 4.07Å; V11-L35 HydrophobicContact CB-CD2 4.48Å; V11-L35 HydrophobicContact CG1-CB 4.43Å; V11-L35 PolarHBondContact O-N 3.08Å; V11-M46 HydrophobicContact CG2-SD 3.87Å; V11-I49 HydrophobicContact CB-CD1 4.34Å; V11-I49 HydrophobicContact CG1-CD1 3.64Å; V11-I49 HydrophobicContact CG2-CD1 3.69Å
12R92.2Very high88.4Confident202 Ų20272.3 Ų72.376%0.76234%0.338SS*.BIsolated β-bridgetrans-75.7138.5171.2-72.6-177.6173.5164.4-1.3110.1
13V90.6Very high88.6Confident20 Ų2077.2 Ų77.212%0.12136%0.363CS..PPolyproline II helixtrans-99.9139.3177.2175.70000108.6L17 W18 N33 L35V13-L17 HydrophobicContact CG1-CB 3.5Å; V13-L17 HydrophobicContact CG1-CD1 4.2Å; V13-L17 HydrophobicContact CG1-CG 4.5Å; V13-W18 PolarHBondContact O-NE1 3.18Å; V13-N33 PolarHBondContact N-O 3.05Å; V13-L35 HydrophobicContact CG2-CB 4.12Å; V13-L35 HydrophobicContact CG2-CD1 4.43Å
14E91.9Very high88.8Confident132 Ų13276.7 Ų76.762%0.61737%0.365SS*.PPolyproline II helixtrans-58.3141.1176.1-164.8-166.7144.600110.7S16 L17E14-S16 PolarHBondContact O-N 3.13Å; E14-S16 VanDerWaalsContact O-N 3.16Å; E14-S16 PolarHBondContact OE1-OG 2.94Å; E14-L17 HydrophobicContact CB-CD1 4.29Å; E14-L17 HydrophobicContact CB-CG 4.47Å; E14-L17 WeakPolarHBondContact O-CA 3.31Å; E14-L17 WeakPolarHBondContact O-CB 3.34Å; E14-L17 PolarHBondContact O-N 2.89Å
15K91.4Very high88.9Confident138 Ų13880.4 Ų80.460%0.638%0.378SS*.G310 helixtrans-56.1-35.5-175.4-168.7177.4-179.8-175.10113.2L17 W18K15-L17 PolarHBondContact O-N 2.82Å; K15-W18 HydrophobicContact CB-CD2 4.37Å; K15-W18 HydrophobicContact CB-CZ2 4.37Å; K15-W18 HydrophobicContact CD-CZ3 4.44Å; K15-W18 HydrophobicContact CG-CD2 3.98Å; K15-W18 HydrophobicContact CG-CE3 3.9Å; K15-W18 HydrophobicContact CG-CH2 4.25Å; K15-W18 HydrophobicContact CG-CZ2 4.31Å; K15-W18 HydrophobicContact CG-CZ3 4.04Å; K15-W18 WeakPolarHBondContact O-CB 3.34Å; K15-W18 PolarHBondContact O-N 3.37Å
16S93.3Very high89.3Confident67 Ų6781.7 Ų81.747%0.46938%0.381SS..G310 helixtrans-61.2-22.3175.957.90000113.6E14E14-S16 PolarHBondContact O-N 3.13Å; E14-S16 VanDerWaalsContact O-N 3.16Å; E14-S16 PolarHBondContact OE1-OG 2.94Å
17L90.7Very high89.7Confident83 Ų8379.2 Ų79.244%0.43539%0.391SS..G310 helixtrans-96.8-8.3-179.2-64.1174.3000113.5V13 E14 K15 P19 Y20V13-L17 HydrophobicContact CG1-CB 3.5Å; V13-L17 HydrophobicContact CG1-CD1 4.2Å; V13-L17 HydrophobicContact CG1-CG 4.5Å; E14-L17 HydrophobicContact CB-CD1 4.29Å; E14-L17 HydrophobicContact CB-CG 4.47Å; E14-L17 WeakPolarHBondContact O-CA 3.31Å; E14-L17 WeakPolarHBondContact O-CB 3.34Å; E14-L17 PolarHBondContact O-N 2.89Å; K15-L17 PolarHBondContact O-N 2.82Å; L17-P19 VanDerWaalsContact C-CD 3.44Å; L17-Y20 HydrophobicContact CD2-CD2 4.23Å; L17-Y20 HydrophobicContact CD2-CE2 4.28Å; L17-Y20 PolarHBondContact O-N 3.37Å
18W92.8Very high90.3Very high49 Ų4984.4 Ų84.419%0.18641%0.407CS..G310 helixtrans-57.1-41.2179.7-68.76.6000113.6V13 K15 Y20 Q21 C31 N33V13-W18 PolarHBondContact O-NE1 3.18Å; K15-W18 HydrophobicContact CB-CD2 4.37Å; K15-W18 HydrophobicContact CB-CZ2 4.37Å; K15-W18 HydrophobicContact CD-CZ3 4.44Å; K15-W18 HydrophobicContact CG-CD2 3.98Å; K15-W18 HydrophobicContact CG-CE3 3.9Å; K15-W18 HydrophobicContact CG-CH2 4.25Å; K15-W18 HydrophobicContact CG-CZ2 4.31Å; K15-W18 HydrophobicContact CG-CZ3 4.04Å; K15-W18 WeakPolarHBondContact O-CB 3.34Å; K15-W18 PolarHBondContact O-N 3.37Å; W18-Y20 PolarHBondContact O-N 2.79Å; W18-Y20 VanDerWaalsContact O-N 3.1Å; W18-Q21 CarbonylContact O-C 3.43Å; W18-Q21 PolarHBondContact O-N 2.97Å; W18-C31 HydrophobicContact CB-CB 3.82Å; W18-C31 WeakPolarHBondContact O-CB 3.42Å; W18-N33 HydrophobicContact CD2-CB 4.45Å; W18-N33 HydrophobicContact CH2-CB 4.21Å; W18-N33 HydrophobicContact CZ2-CB 3.63Å
19P90.1Very high90.5Very high63 Ų6387.5 Ų87.541%0.40942%0.419SS..G310 helixtrans-61.2-23.2-178.8-25.936.7000114.3L17 Q21 A22L17-P19 VanDerWaalsContact C-CD 3.44Å; P19-Q21 PolarHBondContact O-N 3.42Å; P19-A22 WeakPolarHBondContact O-CB 3.21Å
20Y89.1Confident90.6Very high191 Ų19187.7 Ų87.775%0.74942%0.417SS*.G310 helixtrans-78.8-8.4177.8-56.9-81.7000113.4L17 W18L17-Y20 HydrophobicContact CD2-CD2 4.23Å; L17-Y20 HydrophobicContact CD2-CE2 4.28Å; L17-Y20 PolarHBondContact O-N 3.37Å; W18-Y20 PolarHBondContact O-N 2.79Å; W18-Y20 VanDerWaalsContact O-N 3.1Å
21Q89.4Confident90.6Very high21 Ų2186.2 Ų86.210%0.09841%0.41CS..G310 helixtrans-12342.4175.5-64.5177.994.300110.4W18 P19 L32 L39W18-Q21 CarbonylContact O-C 3.43Å; W18-Q21 PolarHBondContact O-N 2.97Å; P19-Q21 PolarHBondContact O-N 3.42Å; Q21-L32 HydrophobicContact CB-CB 4.05Å; Q21-L32 HydrophobicContact CB-CD1 4.41Å; Q21-L32 PolarHBondContact O-N 3.1Å; Q21-L32 VanDerWaalsContact O-N 3.08Å; Q21-L39 HydrophobicContact CG-CD1 4.06Å; Q21-L39 HydrophobicContact CG-CD2 4.4Å
22A89.5Confident90.6Very high42 Ų4286.7 Ų86.735%0.34741%0.412SS..EExtended strand (participates in β ladder)trans-87.9139.2179.100000112P19 R29 Y30P19-A22 WeakPolarHBondContact O-CB 3.21Å; A22-R29 HydrophobicContact CB-CG 3.99Å; A22-Y30 CarbonylContact C-O 3.55Å; A22-Y30 WeakPolarHBondContact CA-O 3.5Å
23I89.1Confident90.6Very high103 Ų10378.6 Ų78.653%0.52838%0.384SS..EExtended strand (participates in β ladder)trans-125.3134.5172.6-59.5173.4000108Y30I23-Y30 PolarHBondContact N-O 3.26Å; I23-Y30 PolarHBondContact O-N 3.03Å
24M90.2Very high90.6Very high100 Ų10079.8 Ų79.849%0.49339%0.386SS..EExtended strand (participates in β ladder)trans-91.6123.2171.9-64.2-58.9-64.400109.7R28 R29M24-R28 WeakPolarHBondContact CA-O 3.48Å; M24-R29 HydrophobicContact CE-CB 4.4Å; M24-R29 HydrophobicContact SD-CB 3.58Å; M24-R29 VanDerWaalsContact SD-CB 3.58Å; M24-R29 HydrophobicContact SD-CG 3.82Å
25R88.3Confident90.5Very high93 Ų9373.8 Ų73.835%0.35136%0.358SS..EExtended strand (participates in β ladder)trans-136.7121.4174.7-173179.5-176-131.7-4.2109.2G27 R28 Y30 T151R25-G27 VanDerWaalsContact C-N 3.33Å; R25-G27 PolarHBondContact O-N 3.04Å; R25-R28 PolarHBondContact N-O 2.65Å; R25-R28 PolarHBondContact O-N 3.3Å; R25-Y30 HydrophobicContact CB-CD2 3.98Å; R25-Y30 HydrophobicContact CB-CE2 3.88Å; R25-T151 PolarHBondContact NH2-OG1 3.14Å
26R92.3Very high90.3Very high128 Ų12867.3 Ų67.348%0.48333%0.331SS..THydrogen-bonded Turntrans51.746.9-178.6-59.8-175179.7-179.8-0.5113.6R28 A149R26-R28 PolarHBondContact O-N 3.23Å; R26-R28 VanDerWaalsContact O-N 3.08Å; R26-A149 PolarHBondContact NH2-O 2.61Å
27G90.4Very high89.6Confident73 Ų7370.2 Ų70.275%0.75334%0.335SS*.THydrogen-bonded Turntrans70.2-0.3-178.900000115.1R25R25-G27 VanDerWaalsContact C-N 3.33Å; R25-G27 PolarHBondContact O-N 3.04Å
28R91.4Very high89.1Confident148 Ų14870.1 Ų70.156%0.55835%0.354SS*.EExtended strand (participates in β ladder)trans-102.7140.2176.1-61.5-175.2-176.5-165.94.5110.6M24 R25 R26 Y30 E165M24-R28 WeakPolarHBondContact CA-O 3.48Å; R25-R28 PolarHBondContact N-O 2.65Å; R25-R28 PolarHBondContact O-N 3.3Å; R26-R28 PolarHBondContact O-N 3.23Å; R26-R28 VanDerWaalsContact O-N 3.08Å; R28-Y30 HydrophobicContact CB-CD2 4.4Å; R28-Y30 HydrophobicContact CB-CE2 3.62Å; R28-E165 IonicContact NH1-OE2 3.99Å
29R90Very high88.6Confident88 Ų8870.6 Ų70.633%0.33236%0.36SS..EExtended strand (participates in β ladder)trans-90.3126.7174-169.7178.7-69.8156.29.4109.5A22 M24 E168A22-R29 HydrophobicContact CB-CG 3.99Å; M24-R29 HydrophobicContact CE-CB 4.4Å; M24-R29 HydrophobicContact SD-CB 3.58Å; M24-R29 VanDerWaalsContact SD-CB 3.58Å; M24-R29 HydrophobicContact SD-CG 3.82Å; R29-E168 IonicContact CZ-OE1 3.13Å; R29-E168 IonicContact NH1-OE1 2.65Å; R29-E168 PolarHBondContact NH1-OE1 2.88Å; R29-E168 IonicContact NH2-OE1 3.13Å; R29-E168 PolarHBondContact NH2-OE1 3.08Å; R29-E168 VanDerWaalsContact NH2-OE1 3.13Å
30Y89.8Confident88.4Confident45 Ų4575.1 Ų75.118%0.17638%0.38CS..EExtended strand (participates in β ladder)trans-117.5124.4174.3-64.1-85.4000108.6A22 I23 R25 R28 M159 C163A22-Y30 CarbonylContact C-O 3.55Å; A22-Y30 WeakPolarHBondContact CA-O 3.5Å; I23-Y30 PolarHBondContact N-O 3.26Å; I23-Y30 PolarHBondContact O-N 3.03Å; R25-Y30 HydrophobicContact CB-CD2 3.98Å; R25-Y30 HydrophobicContact CB-CE2 3.88Å; R28-Y30 HydrophobicContact CB-CD2 4.4Å; R28-Y30 HydrophobicContact CB-CE2 3.62Å; Y30-M159 HydrophobicContact CG-CE 4.48Å; Y30-C163 HydrophobicContact CD1-CB 4.36Å
31C90.8Very high88.3Confident0 Ų069.9 Ų69.90%037%0.368CS..EExtended strand (participates in β ladder)trans-110128.6178.1-58.50000109.7W18 N33 C163 G164W18-C31 HydrophobicContact CB-CB 3.82Å; W18-C31 WeakPolarHBondContact O-CB 3.42Å; C31-N33 PolarHBondContact O-N 3.34Å; C31-C163 CarbonylContact O-C 3.53Å; C31-C163 WeakPolarHBondContact O-CA 3.38Å; C31-G164 PolarHBondContact N-O 3.17Å; C31-G164 PolarHBondContact O-N 2.91Å
32L89.5Confident88.2Confident35 Ų3568.9 Ų68.918%0.18336%0.364CS..EExtended strand (participates in β ladder)trans-67.1124.1177.3-66.8170.9000110.3Q21 R34 V162Q21-L32 HydrophobicContact CB-CB 4.05Å; Q21-L32 HydrophobicContact CB-CD1 4.41Å; Q21-L32 PolarHBondContact O-N 3.1Å; Q21-L32 VanDerWaalsContact O-N 3.08Å; L32-R34 VanDerWaalsContact C-N 3.27Å; L32-R34 WeakPolarHBondContact CB-O 3.06Å; L32-V162 HydrophobicContact CD2-CG1 3.69Å
33N91.3Very high88.2Confident32 Ų3269.7 Ų69.717%0.17136%0.362CS..SBendtrans-85.6-5.4174.969.524.8000112.7V13 W18 C31 E161 V162V13-N33 PolarHBondContact N-O 3.05Å; W18-N33 HydrophobicContact CD2-CB 4.45Å; W18-N33 HydrophobicContact CH2-CB 4.21Å; W18-N33 HydrophobicContact CZ2-CB 3.63Å; C31-N33 PolarHBondContact O-N 3.34Å; N33-E161 PolarHBondContact ND2-O 3.33Å; N33-V162 PolarHBondContact N-O 3.41Å; N33-V162 PolarHBondContact OD1-O 3.28Å
34R92.2Very high88.2Confident45 Ų4569.5 Ų69.517%0.1737%0.365CS..BIsolated β-bridgetrans-123.3159.8179-75.5157.3-175.9-63.74.6109.8L9 V11 L32 G36L9-R34 HydrophobicContact CD2-CB 4.26Å; L9-R34 WeakPolarHBondContact O-CD 3.12Å; L9-R34 WeakPolarHBondContact O-CG 3.16Å; L9-R34 PolarHBondContact O-NH1 3.09Å; V11-R34 CarbonylContact O-C 3.52Å; V11-R34 WeakPolarHBondContact O-CA 3.39Å; L32-R34 VanDerWaalsContact C-N 3.27Å; L32-R34 WeakPolarHBondContact CB-O 3.06Å; R34-G36 PolarHBondContact O-N 2.86Å; R34-G36 VanDerWaalsContact O-N 3.09Å
35L89.7Confident88.2Confident6 Ų667.7 Ų67.73%0.03136%0.357CS..  trans-64.8114.6-178.6-173.568.1000109.4Y8 V11 V13 L39 A42 I45Y8-L35 CarbonylContact C-O 3.55Å; Y8-L35 VanDerWaalsContact CB-O 3.23Å; Y8-L35 WeakPolarHBondContact CB-O 3.23Å; Y8-L35 HydrophobicContact CD1-CD2 3.9Å; Y8-L35 HydrophobicContact CG-CD2 4.34Å; Y8-L35 WeakPolarHBondContact O-CB 3.14Å; V11-L35 HydrophobicContact CB-CB 4.07Å; V11-L35 HydrophobicContact CB-CD2 4.48Å; V11-L35 HydrophobicContact CG1-CB 4.43Å; V11-L35 PolarHBondContact O-N 3.08Å; V13-L35 HydrophobicContact CG2-CB 4.12Å; V13-L35 HydrophobicContact CG2-CD1 4.43Å; L35-L39 HydrophobicContact CD1-CD1 3.76Å; L35-A42 HydrophobicContact CD1-CB 4.37Å; L35-A42 HydrophobicContact CD2-CB 3.95Å; L35-A42 HydrophobicContact CG-CB 4.05Å; L35-I45 HydrophobicContact CD1-CD1 3.99Å; L35-I45 HydrophobicContact CD2-CB 4.22Å; L35-I45 HydrophobicContact CD2-CG2 3.96Å
36G85.9Confident88.2Confident2 Ų263.2 Ų63.22%0.02134%0.34CS..  trans-73150-177.200000112.8R34R34-G36 PolarHBondContact O-N 2.86Å; R34-G36 VanDerWaalsContact O-N 3.09Å
37F78.7Confident88.1Confident128 Ų12862.7 Ų62.756%0.56134%0.342SS*.THydrogen-bonded Turntrans-66.5146.3168.6-58.9-84000110.3L7 Y8 L9L7-F37 HydrophobicContact CB-CE1 4.49Å; L7-F37 WeakPolarHBondContact O-CE1 3.14Å; L7-F37 WeakPolarHBondContact O-CZ 3.31Å; Y8-F37 AromaticContact CD2-CD1 3.51Å; Y8-F37 HydrophobicContact CD2-CD1 3.51Å; Y8-F37 AromaticContact CD2-CE1 3.74Å; Y8-F37 HydrophobicContact CD2-CE1 3.74Å; Y8-F37 HydrophobicContact CD2-CG 4.36Å; Y8-F37 HydrophobicContact CE2-CD1 4.05Å; Y8-F37 HydrophobicContact CE2-CE1 4.44Å; L9-F37 HydrophobicContact CD1-CE2 3.72Å; L9-F37 HydrophobicContact CD1-CZ 4.03Å; L9-F37 HydrophobicContact CD2-CE2 3.93Å; L9-F37 HydrophobicContact CG-CE2 3.59Å; L9-F37 HydrophobicContact CG-CZ 3.83Å
38G80.4Confident88.1Confident80 Ų8062.3 Ų62.383%0.82533%0.331SS*.THydrogen-bonded Turntrans86.4-2.917500000115.5N40G38-N40 PolarHBondContact O-N 3.44Å
39L83.5Confident88.1Confident60 Ų6057.8 Ų57.831%0.31432%0.317SS..  trans-68.6124165-66.7-179.4000109.4Q21 L35 V41 A42Q21-L39 HydrophobicContact CG-CD1 4.06Å; Q21-L39 HydrophobicContact CG-CD2 4.4Å; L35-L39 HydrophobicContact CD1-CD1 3.76Å; L39-V41 HydrophobicContact CB-CG2 4.17Å; L39-V41 PolarHBondContact O-N 3.49Å; L39-A42 HydrophobicContact CB-CB 3.97Å; L39-A42 VanDerWaalsContact O-CB 3.3Å; L39-A42 WeakPolarHBondContact O-CB 3.2Å; L39-A42 PolarHBondContact O-N 2.99Å
40N85Confident88.2Confident158 Ų15853.8 Ų53.885%0.84530%0.303SS*.THydrogen-bonded Turntrans-56.9-27.2177.5-170.344.5000112.5G38G38-N40 PolarHBondContact O-N 3.44Å
41V87.3Confident88.2Confident80 Ų8053 Ų5349%0.48531%0.308SS..THydrogen-bonded Turntrans-86-12.6178-62.80000114L39 L43 T44 I45L39-V41 HydrophobicContact CB-CG2 4.17Å; L39-V41 PolarHBondContact O-N 3.49Å; V41-L43 VanDerWaalsContact C-N 3.32Å; V41-L43 PolarHBondContact O-N 2.9Å; V41-T44 PolarHBondContact O-N 2.95Å; V41-T44 VanDerWaalsContact O-N 3.13Å; V41-I45 HydrophobicContact CB-CD1 4.24Å; V41-I45 HydrophobicContact CG2-CD1 3.92Å; V41-I45 WeakPolarHBondContact O-CG1 3.49Å; V41-I45 PolarHBondContact O-N 3.27Å
42A87.9Confident88.2Confident1 Ų158.1 Ų58.11%0.00834%0.335CS..Hα-helixtrans-60.1-43.5-173.700000112Y8 L35 L39 T44 I45 M46Y8-A42 HydrophobicContact CD1-CB 3.92Å; Y8-A42 HydrophobicContact CD2-CB 4.46Å; Y8-A42 HydrophobicContact CE1-CB 3.86Å; Y8-A42 HydrophobicContact CE2-CB 4.39Å; Y8-A42 HydrophobicContact CG-CB 4.23Å; L35-A42 HydrophobicContact CD1-CB 4.37Å; L35-A42 HydrophobicContact CD2-CB 3.95Å; L35-A42 HydrophobicContact CG-CB 4.05Å; L39-A42 HydrophobicContact CB-CB 3.97Å; L39-A42 VanDerWaalsContact O-CB 3.3Å; L39-A42 WeakPolarHBondContact O-CB 3.2Å; L39-A42 PolarHBondContact O-N 2.99Å; A42-T44 VanDerWaalsContact C-N 3.35Å; A42-T44 PolarHBondContact O-N 2.85Å; A42-I45 PolarHBondContact O-N 2.88Å; A42-M46 WeakPolarHBondContact O-CB 3.45Å; A42-M46 PolarHBondContact O-N 3.13Å
43L87.7Confident88.3Confident58 Ų5856.9 Ų56.930%0.30433%0.329SS..Hα-helixtrans-58.9-44.8176.2-178.965.6000112.2V41 M46 K47 L68V41-L43 VanDerWaalsContact C-N 3.32Å; V41-L43 PolarHBondContact O-N 2.9Å; L43-M46 PolarHBondContact O-N 3.4Å; L43-K47 VanDerWaalsContact O-CB 3.31Å; L43-K47 WeakPolarHBondContact O-CB 3.3Å; L43-K47 PolarHBondContact O-N 3.32Å; L43-L68 HydrophobicContact CD1-CB 3.78Å; L43-L68 HydrophobicContact CD1-CD2 3.94Å; L43-L68 HydrophobicContact CD1-CG 4.47Å; L43-L68 HydrophobicContact CD2-CD2 3.58Å; L43-L68 HydrophobicContact CG-CD2 4.26Å
44T89.7Confident88.2Confident99 Ų9955.8 Ų55.861%0.60732%0.323SS*.Hα-helixtrans-64.9-44.1178.9-53.90000111.4V41 A42 K47 A48V41-T44 PolarHBondContact O-N 2.95Å; V41-T44 VanDerWaalsContact O-N 3.13Å; A42-T44 VanDerWaalsContact C-N 3.35Å; A42-T44 PolarHBondContact O-N 2.85Å; T44-K47 PolarHBondContact O-N 3.32Å; T44-A48 WeakPolarHBondContact O-CB 3.31Å; T44-A48 PolarHBondContact O-N 2.93Å
45I90.3Very high88.1Confident62 Ų6257.1 Ų57.132%0.31834%0.339SS..Hα-helixtrans-60.9-47.8176.3-67.8166.2000109.8L35 V41 A42 K47 A48 I49L35-I45 HydrophobicContact CD1-CD1 3.99Å; L35-I45 HydrophobicContact CD2-CB 4.22Å; L35-I45 HydrophobicContact CD2-CG2 3.96Å; V41-I45 HydrophobicContact CB-CD1 4.24Å; V41-I45 HydrophobicContact CG2-CD1 3.92Å; V41-I45 WeakPolarHBondContact O-CG1 3.49Å; V41-I45 PolarHBondContact O-N 3.27Å; A42-I45 PolarHBondContact O-N 2.88Å; I45-K47 PolarHBondContact O-N 2.76Å; I45-A48 PolarHBondContact O-N 2.96Å; I45-I49 HydrophobicContact CG2-CD1 3.68Å; I45-I49 HydrophobicContact CG2-CG1 4.41Å; I45-I49 VanDerWaalsContact O-CG1 3.31Å; I45-I49 WeakPolarHBondContact O-CG1 3.3Å; I45-I49 PolarHBondContact O-N 3.1Å
46M89.4Confident88.2Confident0 Ų061.5 Ų61.50%036%0.362CS..Hα-helixtrans-62.6-45.9-179-163.764.4-16500111.8L4 L7 Y8 V11 A42 L43 A48 I49 V50 L92L4-M46 HydrophobicContact CD1-CE 3.15Å; L4-M46 HydrophobicContact CG-CE 4.41Å; L7-M46 HydrophobicContact CD1-CE 4.3Å; L7-M46 HydrophobicContact CD1-CG 4.17Å; Y8-M46 HydrophobicContact CD1-CB 3.96Å; Y8-M46 HydrophobicContact CD1-CG 4.16Å; Y8-M46 HydrophobicContact CD1-SD 4.32Å; Y8-M46 HydrophobicContact CE1-CB 3.7Å; Y8-M46 HydrophobicContact CE1-CG 4.08Å; V11-M46 HydrophobicContact CG2-SD 3.87Å; A42-M46 WeakPolarHBondContact O-CB 3.45Å; A42-M46 PolarHBondContact O-N 3.13Å; L43-M46 PolarHBondContact O-N 3.4Å; M46-A48 VanDerWaalsContact C-N 3.31Å; M46-A48 PolarHBondContact O-N 3.2Å; M46-I49 PolarHBondContact O-N 3.16Å; M46-V50 HydrophobicContact CE-CG2 3.85Å; M46-V50 HydrophobicContact CG-CG2 4.47Å; M46-V50 VanDerWaalsContact O-CG2 3.31Å; M46-V50 WeakPolarHBondContact O-CG2 3.48Å; M46-V50 PolarHBondContact O-N 3.19Å; M46-L92 HydrophobicContact CE-CD2 4.09Å
47K89.6Confident88.4Confident117 Ų11762.5 Ų62.551%0.50937%0.37SS..Hα-helixtrans-59.1-42.1175.6-176.2176.4-178.5179.50112L43 T44 I45 G51 V66L43-K47 VanDerWaalsContact O-CB 3.31Å; L43-K47 WeakPolarHBondContact O-CB 3.3Å; L43-K47 PolarHBondContact O-N 3.32Å; T44-K47 PolarHBondContact O-N 3.32Å; I45-K47 PolarHBondContact O-N 2.76Å; K47-G51 PolarHBondContact O-N 3.49Å; K47-V66 HydrophobicContact CB-CG1 4.41Å; K47-V66 HydrophobicContact CG-CB 4.42Å; K47-V66 HydrophobicContact CG-CG1 3.95Å
48A91.1Very high88.6Confident64 Ų6460 Ų6053%0.52937%0.369SS..Hα-helixtrans-65.8-43.9177.800000112T44 I45 M46 L52T44-A48 WeakPolarHBondContact O-CB 3.31Å; T44-A48 PolarHBondContact O-N 2.93Å; I45-A48 PolarHBondContact O-N 2.96Å; M46-A48 VanDerWaalsContact C-N 3.31Å; M46-A48 PolarHBondContact O-N 3.2Å; A48-L52 VanDerWaalsContact O-CB 3.3Å; A48-L52 WeakPolarHBondContact O-CB 2.96Å; A48-L52 PolarHBondContact O-N 2.66Å
49I91.3Very high88.9Confident54 Ų5462.4 Ų62.428%0.27736%0.362SS..Hα-helixtrans-62.7-51.6177.9-69167.6000110.6V11 I45 M46 G51 L52 V53 L92V11-I49 HydrophobicContact CB-CD1 4.34Å; V11-I49 HydrophobicContact CG1-CD1 3.64Å; V11-I49 HydrophobicContact CG2-CD1 3.69Å; I45-I49 HydrophobicContact CG2-CD1 3.68Å; I45-I49 HydrophobicContact CG2-CG1 4.41Å; I45-I49 VanDerWaalsContact O-CG1 3.31Å; I45-I49 WeakPolarHBondContact O-CG1 3.3Å; I45-I49 PolarHBondContact O-N 3.1Å; M46-I49 PolarHBondContact O-N 3.16Å; I49-G51 PolarHBondContact O-N 2.78Å; I49-L52 PolarHBondContact O-N 3.49Å; I49-V53 WeakPolarHBondContact O-CG2 3.44Å; I49-V53 PolarHBondContact O-N 2.93Å; I49-L92 HydrophobicContact CG2-CD1 4.31Å
50V90.4Very high89.2Confident3 Ų360 Ų602%0.01835%0.35CS..Hα-helixtrans-63.9-43.8-179.6178.20000110.5L4 M46 L52 V53 L54 V66 I71 L92L4-V50 HydrophobicContact CD1-CG2 3.75Å; M46-V50 HydrophobicContact CE-CG2 3.85Å; M46-V50 HydrophobicContact CG-CG2 4.47Å; M46-V50 VanDerWaalsContact O-CG2 3.31Å; M46-V50 WeakPolarHBondContact O-CG2 3.48Å; M46-V50 PolarHBondContact O-N 3.19Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 2.92Å; V50-V53 PolarHBondContact O-N 3.11Å; V50-L54 HydrophobicContact CG1-CD1 3.88Å; V50-L54 HydrophobicContact CG1-CG 4.24Å; V50-L54 VanDerWaalsContact O-CG 3.3Å; V50-L54 WeakPolarHBondContact O-CG 3.4Å; V50-L54 PolarHBondContact O-N 3.27Å; V50-V66 HydrophobicContact CB-CG1 4.27Å; V50-V66 HydrophobicContact CB-CG2 4.2Å; V50-V66 HydrophobicContact CG1-CG1 4.18Å; V50-V66 HydrophobicContact CG1-CG2 3.64Å; V50-I71 HydrophobicContact CG1-CD1 3.58Å; V50-I71 HydrophobicContact CG1-CG1 3.73Å; V50-L92 HydrophobicContact CG2-CD1 4.21Å
51G90.3Very high89.3Confident29 Ų2954.9 Ų54.930%0.29933%0.327SS..Hα-helixtrans-58.7-43.2176.500000112.4K47 I49 L54 S55K47-G51 PolarHBondContact O-N 3.49Å; I49-G51 PolarHBondContact O-N 2.78Å; G51-L54 PolarHBondContact O-N 3.39Å; G51-S55 WeakPolarHBondContact O-CB 3.46Å; G51-S55 PolarHBondContact O-N 2.82Å
52L91.4Very high89.4Confident108 Ų10857.1 Ų57.157%0.56534%0.335SS*.Hα-helixtrans-61.6-50.3174.4179.464.4000111.2A48 I49 V50 L54 S55 L56A48-L52 VanDerWaalsContact O-CB 3.3Å; A48-L52 WeakPolarHBondContact O-CB 2.96Å; A48-L52 PolarHBondContact O-N 2.66Å; I49-L52 PolarHBondContact O-N 3.49Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 2.92Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 2.95Å; L52-S55 PolarHBondContact O-N 2.89Å; L52-S55 VanDerWaalsContact O-N 3.13Å; L52-S55 PolarHBondContact O-OG 2.94Å; L52-L56 HydrophobicContact CG-CD1 4.47Å; L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 2.87Å; L52-L56 VanDerWaalsContact O-N 3.1Å
53V90.8Very high89.4Confident9 Ų957.2 Ų57.26%0.05534%0.336CS..Hα-helixtrans-59.4-41.6-179.9171.60000111.9I49 V50 L56 L87 Y90 L92I49-V53 WeakPolarHBondContact O-CG2 3.44Å; I49-V53 PolarHBondContact O-N 2.93Å; V50-V53 PolarHBondContact O-N 3.11Å; V53-L56 PolarHBondContact O-N 3.39Å; V53-L87 HydrophobicContact CG1-CD2 3.85Å; V53-Y90 HydrophobicContact CB-CD2 4.41Å; V53-Y90 HydrophobicContact CG1-CD2 3.57Å; V53-Y90 HydrophobicContact CG1-CE2 4.28Å; V53-Y90 HydrophobicContact CG1-CG 4.12Å; V53-Y90 HydrophobicContact CG2-CD2 4.18Å; V53-Y90 HydrophobicContact CG2-CG 3.95Å; V53-L92 HydrophobicContact CG2-CD1 4.2Å
54L90.5Very high89.5Confident8 Ų855.4 Ų55.44%0.04233%0.327CS..Hα-helixtrans-68.3-38.9176.4-65.8174.7000111.6V50 G51 L52 L56 A57 V60 V66 I71 V83 L87V50-L54 HydrophobicContact CG1-CD1 3.88Å; V50-L54 HydrophobicContact CG1-CG 4.24Å; V50-L54 VanDerWaalsContact O-CG 3.3Å; V50-L54 WeakPolarHBondContact O-CG 3.4Å; V50-L54 PolarHBondContact O-N 3.27Å; G51-L54 PolarHBondContact O-N 3.39Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 2.95Å; L54-L56 PolarHBondContact O-N 2.93Å; L54-A57 CarbonylContact O-C 3.49Å; L54-A57 PolarHBondContact O-N 2.9Å; L54-A57 VanDerWaalsContact O-O 3.12Å; L54-V60 HydrophobicContact CD2-CG1 3.91Å; L54-V66 HydrophobicContact CD1-CG2 3.65Å; L54-I71 HydrophobicContact CD1-CG2 4.16Å; L54-V83 HydrophobicContact CD2-CG1 3.99Å; L54-L87 HydrophobicContact CD2-CD2 4.45Å
55S89.6Confident89.5Confident73 Ų7353.7 Ų53.751%0.5132%0.319SS..Hα-helixtrans-62.8-29.6177.776.40000113.4G51 L52 A57G51-S55 WeakPolarHBondContact O-CB 3.46Å; G51-S55 PolarHBondContact O-N 2.82Å; L52-S55 PolarHBondContact O-N 2.89Å; L52-S55 VanDerWaalsContact O-N 3.13Å; L52-S55 PolarHBondContact O-OG 2.94Å; S55-A57 PolarHBondContact O-N 3.04Å
56L91.6Very high89.4Confident99 Ų9952.1 Ų52.152%0.51831%0.313SS..THydrogen-bonded Turntrans-71-16.4175.6-66.2169.5000112.8L52 V53 L54 Y90L52-L56 HydrophobicContact CG-CD1 4.47Å; L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 2.87Å; L52-L56 VanDerWaalsContact O-N 3.1Å; V53-L56 PolarHBondContact O-N 3.39Å; L54-L56 PolarHBondContact O-N 2.93Å; L56-Y90 HydrophobicContact CD1-CE1 4.05Å; L56-Y90 HydrophobicContact CD1-CE2 4.29Å; L56-Y90 WeakPolarHBondContact CD1-OH 3.38Å
57A90Very high89Confident22 Ų2258.8 Ų58.818%0.18234%0.339CS..  trans-111.886.3176.400000109.8L54 S55 D59 V60 S61 P86L54-A57 CarbonylContact O-C 3.49Å; L54-A57 PolarHBondContact O-N 2.9Å; L54-A57 VanDerWaalsContact O-O 3.12Å; S55-A57 PolarHBondContact O-N 3.04Å; A57-D59 PolarHBondContact O-N 3.24Å; A57-D59 VanDerWaalsContact O-N 3.1Å; A57-V60 HydrophobicContact CB-CB 4.01Å; A57-V60 HydrophobicContact CB-CG2 4.19Å; A57-V60 PolarHBondContact O-N 2.88Å; A57-S61 PolarHBondContact O-N 2.87Å; A57-P86 HydrophobicContact CB-CB 4.19Å; A57-P86 HydrophobicContact CB-CG 4.02Å
58S83.8Confident88.5Confident76 Ų7657.1 Ų57.153%0.53134%0.335SS..Hα-helixtrans-51.1-37-176.852.10000114V60 S61S58-V60 VanDerWaalsContact C-N 3.26Å; S58-V60 PolarHBondContact O-N 2.91Å; S58-S61 PolarHBondContact O-OG 3.42Å; S58-S61 VanDerWaalsContact O-OG 3.09Å
59D86.2Confident88Confident130 Ų13055.5 Ų55.570%0.69532%0.318SS*.Hα-helixtrans-71.3-27.6-177.6-52.6-17.9000111.7A57 V78A57-D59 PolarHBondContact O-N 3.24Å; A57-D59 VanDerWaalsContact O-N 3.1Å; D59-V78 VanDerWaalsContact O-CG2 3.29Å; D59-V78 WeakPolarHBondContact O-CG2 3.46Å
60V88.7Confident87.6Confident10 Ų1054.6 Ų54.66%0.06131%0.313CS..Hα-helixtrans-93-34.5-176.2176.30000111.2L54 A57 S58 I62 G63 T64 V78 V83 P86L54-V60 HydrophobicContact CD2-CG1 3.91Å; A57-V60 HydrophobicContact CB-CB 4.01Å; A57-V60 HydrophobicContact CB-CG2 4.19Å; A57-V60 PolarHBondContact O-N 2.88Å; S58-V60 VanDerWaalsContact C-N 3.26Å; S58-V60 PolarHBondContact O-N 2.91Å; V60-I62 PolarHBondContact O-N 3.49Å; V60-G63 PolarHBondContact O-N 3.33Å; V60-G63 VanDerWaalsContact O-N 3.15Å; V60-T64 HydrophobicContact CG1-CG2 3.6Å; V60-T64 WeakPolarHBondContact O-CB 3.04Å; V60-T64 WeakPolarHBondContact O-CG2 3.19Å; V60-T64 PolarHBondContact O-N 3.23Å; V60-T64 PolarHBondContact O-OG1 3.11Å; V60-V78 HydrophobicContact CG2-CG1 4.29Å; V60-V83 HydrophobicContact CG1-CB 4.1Å; V60-V83 HydrophobicContact CG1-CG1 3.85Å; V60-V83 HydrophobicContact CG1-CG2 3.8Å; V60-P86 HydrophobicContact CG2-CG 4.28Å
61S88.1Confident87.5Confident50 Ų5054.5 Ų54.535%0.3531%0.313SS..Hα-helixtrans-60.4-29.5-177.565.80000113A57 S58A57-S61 PolarHBondContact O-N 2.87Å; S58-S61 PolarHBondContact O-OG 3.42Å; S58-S61 VanDerWaalsContact O-OG 3.09Å
62I89.1Confident87.5Confident127 Ų12756.2 Ų56.265%0.65132%0.315SS*.THydrogen-bonded Turntrans-66.6-39.1178.8-59.8168.9000111.5V60 I77V60-I62 PolarHBondContact O-N 3.49Å; I62-I77 HydrophobicContact CG2-CG2 4.11Å
63G87.2Confident87.4Confident4 Ų452 Ų524%0.04129%0.294CS..THydrogen-bonded Turntrans-100.110.9-17700000114.2V60 D74V60-G63 PolarHBondContact O-N 3.33Å; V60-G63 VanDerWaalsContact O-N 3.15Å; G63-D74 PolarHBondContact O-N 3.37Å
64T91.2Very high87.4Confident19 Ų1955.2 Ų55.212%0.11731%0.311CS..EExtended strand (participates in β ladder)trans-132142.9-176.157.30000112.6V60 I71 L72 V73 V83V60-T64 HydrophobicContact CG1-CG2 3.6Å; V60-T64 WeakPolarHBondContact O-CB 3.04Å; V60-T64 WeakPolarHBondContact O-CG2 3.19Å; V60-T64 PolarHBondContact O-N 3.23Å; V60-T64 PolarHBondContact O-OG1 3.11Å; T64-I71 HydrophobicContact CG2-CG2 4.36Å; T64-L72 WeakPolarHBondContact CA-O 3.45Å; T64-V73 HydrophobicContact CG2-CG1 4.41Å; T64-V73 HydrophobicContact CG2-CG2 4.2Å; T64-V83 HydrophobicContact CG2-CB 4.46Å; T64-V83 HydrophobicContact CG2-CG1 3.93Å; T64-V83 HydrophobicContact CG2-CG2 3.65Å
65S88.4Confident87.3Confident63 Ų6360.7 Ų60.744%0.44134%0.336SS..EExtended strand (participates in β ladder)trans-137.3146.6170.558.70000110.4L72S65-L72 PolarHBondContact N-O 3.01Å; S65-L72 PolarHBondContact O-N 3.18Å; S65-L72 WeakPolarHBondContact OG-CB 3.3Å
66V88Confident87.3Confident30 Ų3062.1 Ų62.118%0.18235%0.346CS..EExtended strand (participates in β ladder)trans-93.7117.5-179-172.80000109K47 V50 L54K47-V66 HydrophobicContact CB-CG1 4.41Å; K47-V66 HydrophobicContact CG-CB 4.42Å; K47-V66 HydrophobicContact CG-CG1 3.95Å; V50-V66 HydrophobicContact CB-CG1 4.27Å; V50-V66 HydrophobicContact CB-CG2 4.2Å; V50-V66 HydrophobicContact CG1-CG1 4.18Å; V50-V66 HydrophobicContact CG1-CG2 3.64Å; L54-V66 HydrophobicContact CD1-CG2 3.65Å
67Y82.3Confident87.1Confident139 Ų13961.8 Ų61.855%0.54534%0.343SS..EExtended strand (participates in β ladder)trans-116.5103175.3-175-101.7000109.5D69 D70 L72Y67-D69 PolarHBondContact O-N 3.45Å; Y67-D69 VanDerWaalsContact O-N 3.11Å; Y67-D70 CarbonylContact C-O 3.21Å; Y67-D70 PolarHBondContact N-O 2.97Å; Y67-D70 PolarHBondContact O-N 2.93Å; Y67-D70 VanDerWaalsContact O-O 3.08Å; Y67-L72 HydrophobicContact CG-CD1 4.26Å
68L79.8Confident87.1Confident83 Ų8361.4 Ų61.444%0.43534%0.339SS..THydrogen-bonded Turntrans54.6-114.5-174-57176000110.7L43L43-L68 HydrophobicContact CD1-CB 3.78Å; L43-L68 HydrophobicContact CD1-CD2 3.94Å; L43-L68 HydrophobicContact CD1-CG 4.47Å; L43-L68 HydrophobicContact CD2-CD2 3.58Å; L43-L68 HydrophobicContact CG-CD2 4.26Å
69D78.8Confident87.4Confident30 Ų3061 Ų6116%0.1634%0.336CS..THydrogen-bonded Turntrans-95.8-2.8-179-65.3-50.7000113.5L7 Y8 Y67L7-D69 HydrophobicContact CD1-CB 3.53Å; L7-D69 HydrophobicContact CD2-CB 3.42Å; L7-D69 VanDerWaalsContact CD2-CB 3.42Å; L7-D69 HydrophobicContact CG-CB 4.06Å; Y8-D69 WeakPolarHBondContact CE1-OD1 3.34Å; Y8-D69 PolarHBondContact OH-OD1 3.14Å; Y8-D69 PolarHBondContact OH-OD2 2.83Å; Y67-D69 PolarHBondContact O-N 3.45Å; Y67-D69 VanDerWaalsContact O-N 3.11Å
70D84.2Confident87.4Confident34 Ų3455 Ų5518%0.18230%0.304CS..EExtended strand (participates in β ladder)trans-110.5154.3-176.4-62.7-41.7000111.9M1 Y3 Y67M1-D70 HydrophobicContact CE-CB 3.38Å; M1-D70 WeakPolarHBondContact CE-OD2 3.36Å; M1-D70 HydrophobicContact CG-CB 4.45Å; Y3-D70 WeakPolarHBondContact CD1-OD1 3.44Å; Y3-D70 WeakPolarHBondContact CE1-OD1 3.34Å; Y67-D70 CarbonylContact C-O 3.21Å; Y67-D70 PolarHBondContact N-O 2.97Å; Y67-D70 PolarHBondContact O-N 2.93Å; Y67-D70 VanDerWaalsContact O-O 3.08Å
71I88.3Confident87.3Confident1 Ų163.4 Ų63.41%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-108.3114.1176.8-55.6171.3000107.9M1 L2 V50 L54 T64 V73 V83 L87M1-I71 WeakPolarHBondContact CA-O 3.35Å; L2-I71 HydrophobicContact CB-CB 4.26Å; L2-I71 PolarHBondContact N-O 2.75Å; L2-I71 PolarHBondContact O-N 2.87Å; V50-I71 HydrophobicContact CG1-CD1 3.58Å; V50-I71 HydrophobicContact CG1-CG1 3.73Å; L54-I71 HydrophobicContact CD1-CG2 4.16Å; T64-I71 HydrophobicContact CG2-CG2 4.36Å; I71-V73 HydrophobicContact CG2-CG2 4.06Å; I71-V83 HydrophobicContact CG2-CG1 4.39Å; I71-L87 HydrophobicContact CD1-CD1 3.37Å; I71-L87 HydrophobicContact CD1-CD2 3.93Å; I71-L87 HydrophobicContact CD1-CG 4.31Å
72L89.4Confident87.3Confident65 Ų6562.8 Ų62.834%0.3433%0.333SS..EExtended strand (participates in β ladder)trans-77.9124.6169.5-57.7-179.6000107.5M1 T64 S65 Y67M1-L72 HydrophobicContact CG-CD2 4.19Å; M1-L72 HydrophobicContact SD-CD2 4.3Å; T64-L72 WeakPolarHBondContact CA-O 3.45Å; S65-L72 PolarHBondContact N-O 3.01Å; S65-L72 PolarHBondContact O-N 3.18Å; S65-L72 WeakPolarHBondContact OG-CB 3.3Å; Y67-L72 HydrophobicContact CG-CD1 4.26Å
73V90.1Very high87.3Confident20 Ų2056.7 Ų56.712%0.12130%0.302CS..EExtended strand (participates in β ladder)trans-118.5124.8-179.7-176.80000107.1L2 T64 I71 E75 V78 V83L2-V73 HydrophobicContact CB-CG2 4.5Å; L2-V73 HydrophobicContact CD1-CG2 3.73Å; L2-V73 HydrophobicContact CG-CG2 3.96Å; T64-V73 HydrophobicContact CG2-CG1 4.41Å; T64-V73 HydrophobicContact CG2-CG2 4.2Å; I71-V73 HydrophobicContact CG2-CG2 4.06Å; V73-E75 PolarHBondContact O-N 3.31Å; V73-V78 WeakPolarHBondContact CG1-O 2.93Å; V73-V83 HydrophobicContact CG1-CG2 3.85Å; V73-V83 HydrophobicContact CG2-CG1 4.48Å; V73-V83 HydrophobicContact CG2-CG2 4.01Å
74D89.7Confident87.4Confident77 Ų7760.5 Ų60.541%0.41232%0.315SS..  trans-84.2100.3167.3-172-14.5000109G63 S76 I77 V78G63-D74 PolarHBondContact O-N 3.37Å; D74-S76 VanDerWaalsContact CG-OG 3.25Å; D74-S76 PolarHBondContact O-N 3.46Å; D74-S76 VanDerWaalsContact OD1-CB 3.3Å; D74-S76 WeakPolarHBondContact OD1-CB 3.42Å; D74-S76 PolarHBondContact OD1-N 3.37Å; D74-S76 PolarHBondContact OD1-OG 3.44Å; D74-S76 PolarHBondContact OD2-OG 3.45Å; D74-I77 HydrophobicContact CB-CD1 4.32Å; D74-I77 HydrophobicContact CB-CG1 4.39Å; D74-I77 PolarHBondContact O-N 3Å; D74-I77 VanDerWaalsContact O-N 3.1Å; D74-V78 PolarHBondContact O-N 3.08Å
75E88.7Confident87.4Confident122 Ų12266.8 Ų66.857%0.5734%0.341SS*.THydrogen-bonded Turntrans-66.8-12.4-179.1-70.1-178.6-170.500113.5V73 I77 V78V73-E75 PolarHBondContact O-N 3.31Å; E75-I77 VanDerWaalsContact C-N 3.31Å; E75-V78 WeakPolarHBondContact CA-O 3.37Å
76S89Confident87.5Confident103 Ų10365 Ų6572%0.7233%0.328SS*.THydrogen-bonded Turntrans-74.1-24.5172.474.40000112.8D74D74-S76 VanDerWaalsContact CG-OG 3.25Å; D74-S76 PolarHBondContact O-N 3.46Å; D74-S76 VanDerWaalsContact OD1-CB 3.3Å; D74-S76 WeakPolarHBondContact OD1-CB 3.42Å; D74-S76 PolarHBondContact OD1-N 3.37Å; D74-S76 PolarHBondContact OD1-OG 3.44Å; D74-S76 PolarHBondContact OD2-OG 3.45Å
77I88.7Confident87.6Confident92 Ų9263.6 Ų63.647%0.47232%0.319SS..THydrogen-bonded Turntrans-103.7-48.8-179.4-50.8177.1000110I62 D74 E75I62-I77 HydrophobicContact CG2-CG2 4.11Å; D74-I77 HydrophobicContact CB-CD1 4.32Å; D74-I77 HydrophobicContact CB-CG1 4.39Å; D74-I77 PolarHBondContact O-N 3Å; D74-I77 VanDerWaalsContact O-N 3.1Å; E75-I77 VanDerWaalsContact C-N 3.31Å
78V89.8Confident88Confident14 Ų1460 Ų609%0.08532%0.319CS..SBendtrans-138.6127.3-173.3-175.30000110.8D59 V60 V73 D74 E75 A82 V83D59-V78 VanDerWaalsContact O-CG2 3.29Å; D59-V78 WeakPolarHBondContact O-CG2 3.46Å; V60-V78 HydrophobicContact CG2-CG1 4.29Å; V73-V78 WeakPolarHBondContact CG1-O 2.93Å; D74-V78 PolarHBondContact O-N 3.08Å; E75-V78 WeakPolarHBondContact CA-O 3.37Å; V78-A82 HydrophobicContact CG1-CB 3.97Å; V78-V83 HydrophobicContact CG1-CG2 3.83Å
79S89.2Confident88.6Confident67 Ų6766 Ų6647%0.46934%0.335SS..  trans-65.3141174.470.90000112.1R81 A82 V83S79-R81 PolarHBondContact O-N 2.94Å; S79-R81 VanDerWaalsContact O-N 3.12Å; S79-A82 WeakPolarHBondContact O-CB 3.44Å; S79-A82 PolarHBondContact O-N 2.75Å; S79-A82 WeakPolarHBondContact OG-CB 3.19Å; S79-A82 PolarHBondContact OG-N 3.37Å; S79-V83 PolarHBondContact O-N 2.76Å
80A87.3Confident89.1Confident4 Ų470.1 Ų70.13%0.03335%0.349CS..Hα-helixtrans-54.8-33.8175.700000112.8L2 A82 V83 R84L2-A80 HydrophobicContact CD1-CB 4.24Å; L2-A80 HydrophobicContact CD2-CB 4.03Å; L2-A80 HydrophobicContact CG-CB 4.16Å; A80-A82 VanDerWaalsContact C-N 3.33Å; A80-A82 PolarHBondContact O-N 3.32Å; A80-V83 PolarHBondContact O-N 3.31Å; A80-R84 WeakPolarHBondContact O-CG 3.32Å; A80-R84 PolarHBondContact O-N 2.92Å
81R86.9Confident89.4Confident187 Ų18770.9 Ų70.971%0.70637%0.365SS*.Hα-helixtrans-64.3-34.8175.2-172.4177.8176.7-173.3-0.6113S79S79-R81 PolarHBondContact O-N 2.94Å; S79-R81 VanDerWaalsContact O-N 3.12Å
82A87.9Confident89.4Confident37 Ų3771.2 Ų71.231%0.30637%0.367SS..Hα-helixtrans-67.8-41.317600000111.1V78 S79 A80 R84 K85 P86V78-A82 HydrophobicContact CG1-CB 3.97Å; S79-A82 WeakPolarHBondContact O-CB 3.44Å; S79-A82 PolarHBondContact O-N 2.75Å; S79-A82 WeakPolarHBondContact OG-CB 3.19Å; S79-A82 PolarHBondContact OG-N 3.37Å; A80-A82 VanDerWaalsContact C-N 3.33Å; A80-A82 PolarHBondContact O-N 3.32Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.49Å; A82-K85 PolarHBondContact O-N 3.47Å; A82-P86 WeakPolarHBondContact O-CD 3.33Å
83V89.5Confident89.4Confident0 Ų073.1 Ų73.10%037%0.374CS..Hα-helixtrans-61.9-36.3178-172.30000112.5L2 L54 V60 T64 I71 V73 V78 S79 A80 K85 P86 L87L2-V83 HydrophobicContact CD1-CB 3.79Å; L2-V83 HydrophobicContact CD1-CG1 3.9Å; L54-V83 HydrophobicContact CD2-CG1 3.99Å; V60-V83 HydrophobicContact CG1-CB 4.1Å; V60-V83 HydrophobicContact CG1-CG1 3.85Å; V60-V83 HydrophobicContact CG1-CG2 3.8Å; T64-V83 HydrophobicContact CG2-CB 4.46Å; T64-V83 HydrophobicContact CG2-CG1 3.93Å; T64-V83 HydrophobicContact CG2-CG2 3.65Å; I71-V83 HydrophobicContact CG2-CG1 4.39Å; V73-V83 HydrophobicContact CG1-CG2 3.85Å; V73-V83 HydrophobicContact CG2-CG1 4.48Å; V73-V83 HydrophobicContact CG2-CG2 4.01Å; V78-V83 HydrophobicContact CG1-CG2 3.83Å; S79-V83 PolarHBondContact O-N 2.76Å; A80-V83 PolarHBondContact O-N 3.31Å; V83-K85 VanDerWaalsContact C-N 3.27Å; V83-K85 PolarHBondContact O-N 2.91Å; V83-P86 WeakPolarHBondContact O-CD 3.46Å; V83-L87 HydrophobicContact CG1-CD1 3.9Å; V83-L87 WeakPolarHBondContact O-CG 3.45Å; V83-L87 PolarHBondContact O-N 3.3Å
84R89.2Confident89.3Confident83 Ų8372.7 Ų72.731%0.31337%0.372SS..Hα-helixtrans-63-30179.4-71.5178.268-173.56.1113.7L2 A80 A82 A88 C94 C96L2-R84 HydrophobicContact CD1-CG 4.11Å; L2-R84 HydrophobicContact CD2-CG 4.19Å; A80-R84 WeakPolarHBondContact O-CG 3.32Å; A80-R84 PolarHBondContact O-N 2.92Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.49Å; R84-A88 VanDerWaalsContact O-CB 3.3Å; R84-A88 WeakPolarHBondContact O-CB 3.34Å; R84-A88 PolarHBondContact O-N 3.35Å; R84-C94 HydrophobicContact CG-CB 4.09Å; R84-C96 PolarHBondContact NH1-SG 2.9Å; R84-C96 PolarHBondContact NH2-SG 3.43Å; R84-C96 VanDerWaalsContact NH2-SG 3.41Å
85K90Very high89Confident151 Ų15175.4 Ų75.466%0.65738%0.38SS*.Hα-helixtrans-67.1-52.2-176.2-72.8179.6-177.6179.90112.2A82 V83 L87 A88 R89A82-K85 PolarHBondContact O-N 3.47Å; V83-K85 VanDerWaalsContact C-N 3.27Å; V83-K85 PolarHBondContact O-N 2.91Å; K85-L87 PolarHBondContact O-N 3.46Å; K85-A88 PolarHBondContact O-N 3.42Å; K85-R89 PolarHBondContact O-N 3.31Å; K85-R89 VanDerWaalsContact O-N 3.08Å
86P90.8Very high88Confident27 Ų2771.9 Ų71.918%0.17537%0.368CS..Hα-helixtrans-56.9-45.5171.5-27.134000112.9A57 V60 A82 V83 A88 R89 Y90A57-P86 HydrophobicContact CB-CB 4.19Å; A57-P86 HydrophobicContact CB-CG 4.02Å; V60-P86 HydrophobicContact CG2-CG 4.28Å; A82-P86 WeakPolarHBondContact O-CD 3.33Å; V83-P86 WeakPolarHBondContact O-CD 3.46Å; P86-A88 PolarHBondContact O-N 3.49Å; P86-R89 WeakPolarHBondContact O-CB 3.43Å; P86-R89 PolarHBondContact O-N 3.24Å; P86-R89 VanDerWaalsContact O-N 3.1Å; P86-Y90 VanDerWaalsContact O-CD2 3.28Å; P86-Y90 WeakPolarHBondContact O-CD2 3.42Å; P86-Y90 PolarHBondContact O-N 2.95Å
87L90.4Very high86.9Confident0 Ų067.8 Ų67.80%034%0.339CS..Hα-helixtrans-58.5-48-179.8-68.3168.9000111.6V53 L54 I71 V83 K85 R89 Y90 G91 L92 C94V53-L87 HydrophobicContact CG1-CD2 3.85Å; L54-L87 HydrophobicContact CD2-CD2 4.45Å; I71-L87 HydrophobicContact CD1-CD1 3.37Å; I71-L87 HydrophobicContact CD1-CD2 3.93Å; I71-L87 HydrophobicContact CD1-CG 4.31Å; V83-L87 HydrophobicContact CG1-CD1 3.9Å; V83-L87 WeakPolarHBondContact O-CG 3.45Å; V83-L87 PolarHBondContact O-N 3.3Å; K85-L87 PolarHBondContact O-N 3.46Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 3.1Å; L87-Y90 CarbonylContact O-C 3.53Å; L87-Y90 PolarHBondContact O-N 2.67Å; L87-Y90 VanDerWaalsContact O-N 3.1Å; L87-G91 PolarHBondContact O-N 3.13Å; L87-L92 CarbonylContact C-O 3.47Å; L87-L92 HydrophobicContact CB-CB 4.03Å; L87-L92 WeakPolarHBondContact CB-O 3.47Å; L87-L92 HydrophobicContact CD2-CB 4.26Å; L87-L92 HydrophobicContact CD2-CD1 3.81Å; L87-L92 WeakPolarHBondContact O-CA 3.48Å; L87-L92 WeakPolarHBondContact O-CB 3.43Å; L87-L92 PolarHBondContact O-N 3.34Å; L87-C94 WeakPolarHBondContact CD1-SG 3.3Å
88A90.7Very high85.5Confident64 Ų6472.3 Ų72.353%0.52936%0.358SS..Hα-helixtrans-61.9-34.9177.100000112.6R84 K85 P86 Y90 G91 L92R84-A88 VanDerWaalsContact O-CB 3.3Å; R84-A88 WeakPolarHBondContact O-CB 3.34Å; R84-A88 PolarHBondContact O-N 3.35Å; K85-A88 PolarHBondContact O-N 3.42Å; P86-A88 PolarHBondContact O-N 3.49Å; A88-Y90 PolarHBondContact O-N 3.36Å; A88-G91 PolarHBondContact O-N 2.96Å; A88-L92 PolarHBondContact N-O 3.43Å
89R91.3Very high83.9Confident209 Ų20980.8 Ų80.879%0.78939%0.394SS*.Hα-helixtrans-61.2-33.1176-174.8-179.2179.2-178.4-0112.4K85 P86 L87 G91K85-R89 PolarHBondContact O-N 3.31Å; K85-R89 VanDerWaalsContact O-N 3.08Å; P86-R89 WeakPolarHBondContact O-CB 3.43Å; P86-R89 PolarHBondContact O-N 3.24Å; P86-R89 VanDerWaalsContact O-N 3.1Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 3.1Å; R89-G91 VanDerWaalsContact C-N 3.35Å
90Y90.3Very high82.3Confident115 Ų11582.5 Ų82.545%0.45140%0.398SS..THydrogen-bonded Turntrans-94.512.5176-68.6-80.8000113.2V53 L56 P86 L87 A88V53-Y90 HydrophobicContact CB-CD2 4.41Å; V53-Y90 HydrophobicContact CG1-CD2 3.57Å; V53-Y90 HydrophobicContact CG1-CE2 4.28Å; V53-Y90 HydrophobicContact CG1-CG 4.12Å; V53-Y90 HydrophobicContact CG2-CD2 4.18Å; V53-Y90 HydrophobicContact CG2-CG 3.95Å; L56-Y90 HydrophobicContact CD1-CE1 4.05Å; L56-Y90 HydrophobicContact CD1-CE2 4.29Å; L56-Y90 WeakPolarHBondContact CD1-OH 3.38Å; P86-Y90 VanDerWaalsContact O-CD2 3.28Å; P86-Y90 WeakPolarHBondContact O-CD2 3.42Å; P86-Y90 PolarHBondContact O-N 2.95Å; L87-Y90 CarbonylContact O-C 3.53Å; L87-Y90 PolarHBondContact O-N 2.67Å; L87-Y90 VanDerWaalsContact O-N 3.1Å; A88-Y90 PolarHBondContact O-N 3.36Å
91G89.6Confident80.2Confident50 Ų5085.7 Ų85.752%0.51542%0.419SS..THydrogen-bonded Turntrans79.713.9177.100000115Q10 L87 A88 R89Q10-G91 PolarHBondContact OE1-O 3.12Å; Q10-G91 VanDerWaalsContact OE1-O 3.13Å; L87-G91 PolarHBondContact O-N 3.13Å; A88-G91 PolarHBondContact O-N 2.96Å; R89-G91 VanDerWaalsContact C-N 3.35Å
92L89.9Confident77.9Confident9 Ų982.7 Ų82.75%0.04743%0.427CS..  trans-94.6102.1174.7-63.9177.6000110.7L4 Q10 M46 I49 V50 V53 L87 A88L4-L92 HydrophobicContact CD2-CB 4.23Å; Q10-L92 HydrophobicContact CB-CD2 4.37Å; M46-L92 HydrophobicContact CE-CD2 4.09Å; I49-L92 HydrophobicContact CG2-CD1 4.31Å; V50-L92 HydrophobicContact CG2-CD1 4.21Å; V53-L92 HydrophobicContact CG2-CD1 4.2Å; L87-L92 CarbonylContact C-O 3.47Å; L87-L92 HydrophobicContact CB-CB 4.03Å; L87-L92 WeakPolarHBondContact CB-O 3.47Å; L87-L92 HydrophobicContact CD2-CB 4.26Å; L87-L92 HydrophobicContact CD2-CD1 3.81Å; L87-L92 WeakPolarHBondContact O-CA 3.48Å; L87-L92 WeakPolarHBondContact O-CB 3.43Å; L87-L92 PolarHBondContact O-N 3.34Å; A88-L92 PolarHBondContact N-O 3.43Å
93E89.5Confident75.9Confident104 Ų10484.1 Ų84.149%0.48644%0.439SS..PPolyproline II helixtrans-77128.6172.7-68.2-176.5-16200111.1K5 Q10K5-E93 HydrophobicContact CB-CB 4.13Å; K5-E93 WeakPolarHBondContact CD-OE2 3.42Å; K5-E93 PolarHBondContact N-O 3.27Å; K5-E93 IonicContact NZ-OE2 2.83Å; K5-E93 PolarHBondContact NZ-OE2 2.91Å; Q10-E93 PolarHBondContact NE2-O 2.94Å
94C86.5Confident73.4Confident12 Ų1290 Ų908%0.08148%0.478CS..BIsolated β-bridgetrans-101.2141.1169.6-57.50000110.6Y3 R84 L87Y3-C94 CarbonylContact O-C 3.54Å; Y3-C94 WeakPolarHBondContact O-CA 3.31Å; R84-C94 HydrophobicContact CG-CB 4.09Å; L87-C94 WeakPolarHBondContact CD1-SG 3.3Å
95K83.2Confident71.2Confident133 Ų13397.7 Ų97.758%0.57851%0.506SS*.PPolyproline II helixtrans-61.1139.6161.8-164.3176.8-178.6-177.10108Y3Y3-K95 PolarHBondContact O-N 3.49Å
96C69.1Low69Low48 Ų4895.3 Ų95.332%0.32451%0.509SS..PPolyproline II helixtrans-61.7134.1174.9-66.30000109.3R84 E98 C101R84-C96 PolarHBondContact NH1-SG 2.9Å; R84-C96 PolarHBondContact NH2-SG 3.43Å; R84-C96 VanDerWaalsContact NH2-SG 3.41Å; C96-E98 PolarHBondContact O-N 2.86Å; C96-C101 HydrophobicContact CB-CB 4.26Å; C96-C101 WeakPolarHBondContact CB-SG 3.21Å; C96-C101 VanDerWaalsContact SG-SG 3.64Å
97P65.1Low66.7Low17 Ų1799.3 Ų99.311%0.1154%0.535CS..PPolyproline II helixtrans-60.6138.2173.823.4-28.8000108.7L2 K99 D100L2-P97 HydrophobicContact CD2-CB 4.4Å; L2-P97 HydrophobicContact CD2-CG 4.09Å; P97-K99 PolarHBondContact O-N 2.76Å; P97-D100 HydrophobicContact CG-CB 4.18Å; P97-D100 PolarHBondContact O-N 2.85Å
98E59.7Low64.7Low187 Ų187105.9 Ų105.987%0.87457%0.574SS**THydrogen-bonded Turntrans-54.2-24.9-174.8-73.5-175154.600113.2C96C96-E98 PolarHBondContact O-N 2.86Å
99K57Low62.4Low192 Ų192107 Ų10784%0.83558%0.584SS**THydrogen-bonded Turntrans-80.1-15.7-177.6-62.5-175.6179.41800114.7P97P97-K99 PolarHBondContact O-N 2.76Å
100D53.8Low60.3Low104 Ų104106.2 Ų106.256%0.55659%0.586SS**THydrogen-bonded Turntrans-117.74.6-174.5-65-26.4000114.3P97 S102P97-D100 HydrophobicContact CG-CB 4.18Å; P97-D100 PolarHBondContact O-N 2.85Å; D100-S102 PolarHBondContact O-N 3.35Å
101C44.9Very low57.9Low70 Ų70110.1 Ų110.147%0.47361%0.609SS.*  trans-93.371.6178-112.50000111.3C96 A103C96-C101 HydrophobicContact CB-CB 4.26Å; C96-C101 WeakPolarHBondContact CB-SG 3.21Å; C96-C101 VanDerWaalsContact SG-SG 3.64Å; C101-A103 PolarHBondContact O-N 2.65Å
102S38.5Very low55.9Low124 Ų124113.1 Ų113.187%0.86762%0.622SS**  trans-75.359.7158.467.20000109.9D100D100-S102 PolarHBondContact O-N 3.35Å
103A46Very low53.7Low68 Ų68120.1 Ų120.156%0.56266%0.659SS**  trans-84.6132.7153.600000105.6C101 R105C101-A103 PolarHBondContact O-N 2.65Å; A103-R105 PolarHBondContact O-N 2.85Å
104P36.6Very low51.7Low124 Ų124122.1 Ų122.181%0.80568%0.679SS**  trans-56.5121.6176.423.6-29.9000106.8S106P104-S106 PolarHBondContact O-N 3.2Å
105R42.7Very low49.5Very low244 Ų244125 Ų12592%0.92171%0.711SS**  trans-49.1115.5162.6-75.3-179.3166141.7-2.6104.9A103A103-R105 PolarHBondContact O-N 2.85Å
106S44.5Very low47.8Very low100 Ų100124.9 Ų124.970%0.69972%0.716SS**  trans-44.9129.6172.1-173.50000107P104 V108P104-S106 PolarHBondContact O-N 3.2Å; S106-V108 PolarHBondContact O-N 3.03Å
107P41.5Very low46.6Very low112 Ų112132.7 Ų132.773%0.72774%0.739SS**  trans-56.6124.1-179.20.64.9000107A109P107-A109 VanDerWaalsContact C-N 3.27Å; P107-A109 PolarHBondContact O-N 3.34Å
108V48.4Very low45.6Very low137 Ų137139.8 Ų139.883%0.8378%0.776SS**  trans-54.5101.3163.8171.30000105.3S106 K110S106-V108 PolarHBondContact O-N 3.03Å; V108-K110 PolarHBondContact O-N 3.13Å; V108-K110 VanDerWaalsContact O-N 3.11Å
109A43.3Very low44.5Very low89 Ų89135.9 Ų135.974%0.73678%0.776SS**  trans-63.8114.4173.900000106.2P107 E111P107-A109 VanDerWaalsContact C-N 3.27Å; P107-A109 PolarHBondContact O-N 3.34Å; A109-E111 PolarHBondContact O-N 2.72Å; A109-E111 VanDerWaalsContact O-N 3.17Å
110K46.2Very low43.5Very low192 Ų192129.7 Ų129.784%0.83577%0.767SS**  trans-64.9112.7167.5-68.6-173.2176.1-177.50106.7V108 S112V108-K110 PolarHBondContact O-N 3.13Å; V108-K110 VanDerWaalsContact O-N 3.11Å; K110-S112 PolarHBondContact O-N 3.15Å; K110-S112 VanDerWaalsContact O-N 3.13Å
111E41Very low42.8Very low197 Ų197133 Ų13392%0.92178%0.784SS**  trans-50.2118.5165.8-86.5173.7123.900108.5A109A109-E111 PolarHBondContact O-N 2.72Å; A109-E111 VanDerWaalsContact O-N 3.17Å
112S47.1Very low42.4Very low113 Ų113134 Ų13479%0.7980%0.797SS**  trans-114.1120.6159.9-69.20000106.4K110 T114K110-S112 PolarHBondContact O-N 3.15Å; K110-S112 VanDerWaalsContact O-N 3.13Å; S112-T114 PolarHBondContact O-N 3.2Å
113D43.7Very low42.3Very low155 Ų155136.7 Ų136.783%0.82980%0.796SS**  trans-42.7126.3174.8-77.1-52.6000111.9
114T47.5Very low41.9Very low146 Ų146139.2 Ų139.290%0.89680%0.799SS**  165.9131.8122.935.80000110.1S112S112-T114 PolarHBondContact O-N 3.2Å
115G40.2Very low41.8Very low73 Ų73137.1 Ų137.175%0.75379%0.792SS**  trans98.681.6147.700000117.3
116N47.7Very low41.6Very low131 Ų131132.2 Ų132.270%0.70178%0.783SS**  69.197.6125.7-145.633.3000118.9
117R42.2Very low41Very low212 Ų212134.2 Ų134.280%0.879%0.786SS**  trans41.4118133.3-52.7176-166165.45.5117.7
118N44.2Very low41Very low165 Ų165136.3 Ų136.388%0.88279%0.788SS**  -179.8155.4103.1-80.9-32000111.1
119A37.3Very low40.5Very low106 Ų106136.8 Ų136.888%0.87679%0.786SS**  trans-63.1154.9-164.100000116.1
120G36.5Very low40.2Very low62 Ų62141.9 Ų141.964%0.63979%0.794SS**  trans122.192.1162.300000111.4
121D39.8Very low39.8Very low174 Ų174137 Ų13793%0.9379%0.791SS**  176.6135.1125.4-82.6-23.5000111.6
122A35.1Very low39.7Very low89 Ų89137 Ų13774%0.73679%0.79SS**  trans-80.1134-167.200000112.4
123Q37.8Very low39.5Very low181 Ų181137.4 Ų137.485%0.84679%0.788SS**  trans-138.884.1155.3-155.573.571.300108.9A125Q123-A125 VanDerWaalsContact C-N 3.29Å; Q123-A125 PolarHBondContact O-N 2.96Å; Q123-A125 VanDerWaalsContact O-N 3.09Å
124I36.7Very low39.3Very low121 Ų121141.2 Ų141.262%0.62179%0.791SS**  trans-78.589.4164.9-56.8175.9000106.4L126I124-L126 HydrophobicContact CG2-CD2 4.19Å; I124-L126 HydrophobicContact CG2-CG 4.37Å; I124-L126 PolarHBondContact O-N 2.86Å
125A34.3Very low38.8Very low80 Ų80140.6 Ų140.666%0.66179%0.789SS**  trans-71.4109.3160.200000107.1Q123 D127Q123-A125 VanDerWaalsContact C-N 3.29Å; Q123-A125 PolarHBondContact O-N 2.96Å; Q123-A125 VanDerWaalsContact O-N 3.09Å; A125-D127 PolarHBondContact O-N 3.26Å
126L38.5Very low38.9Very low142 Ų142141.5 Ų141.574%0.74378%0.777SS**  trans-73.385.5163.7-69.7175.2000107.4I124 M128I124-L126 HydrophobicContact CG2-CD2 4.19Å; I124-L126 HydrophobicContact CG2-CG 4.37Å; I124-L126 PolarHBondContact O-N 2.86Å; L126-M128 PolarHBondContact O-N 3.03Å
127D32.6Very low38.8Very low142 Ų142146.7 Ų146.776%0.75979%0.787SS**  trans-78.8102.5162.6-164.619.2000107.3A125A125-D127 PolarHBondContact O-N 3.26Å
128M41.4Very low38.8Very low155 Ų155142.7 Ų142.776%0.76478%0.777SS**  trans-137.174.9174.6-73.6-146.5-7200109.5L126L126-M128 PolarHBondContact O-N 3.03Å
129N38.2Very low38.8Very low148 Ų148138 Ų13879%0.79176%0.762SS**  trans-122.456.3166.5-79.4-17.8000110.3
130E35.3Very low39.1Very low195 Ų195141.9 Ų141.991%0.91176%0.761SS**  trans-166.999.1160.7-126.2174.2162.900110.9
131A39.3Very low39.3Very low91 Ų91143.3 Ų143.375%0.75276%0.762SS**  trans-174.684.6150.800000110.2T133A131-T133 PolarHBondContact O-N 3.33Å
132H37.7Very low39.4Very low195 Ų195140.7 Ų140.790%0.90375%0.751SS**  trans-69.498.6154-82.674.9000108.6
133T44.5Very low39.8Very low123 Ų123142.9 Ų142.976%0.75575%0.75SS**  trans-157.4110.4161.93.60000112.8A131A131-T133 PolarHBondContact O-N 3.33Å
134R39.1Very low39.8Very low234 Ų234143.2 Ų143.288%0.88375%0.754SS**  trans11.4138.5154.9-61.4180175.3-178.7-1.9119.6N136R134-N136 PolarHBondContact O-N 3.1Å
135P36.2Very low39.9Very low134 Ų134140.9 Ų140.987%0.8776%0.76SS**  trans-74.7113.2176.731.3-30.3000110.2
136N43.1Very low40.2Very low92 Ų92141.5 Ų141.549%0.49277%0.765SS.*  trans-89.4114.5172.2-165.8-3000110.6R134 E138 A139R134-N136 PolarHBondContact O-N 3.1Å; N136-E138 PolarHBondContact ND2-OE2 2.92Å; N136-E138 PolarHBondContact O-N 3.09Å; N136-E138 VanDerWaalsContact O-N 3.12Å; N136-E138 VanDerWaalsContact OD1-CB 3.31Å; N136-E138 WeakPolarHBondContact OD1-CB 3.44Å; N136-E138 WeakPolarHBondContact OD1-CG 3.37Å; N136-E138 PolarHBondContact OD1-N 3.41Å; N136-E138 PolarHBondContact OD1-OE2 3.1Å; N136-A139 PolarHBondContact O-N 3.03Å; N136-A139 VanDerWaalsContact O-N 3.17Å
137R44.6Very low40.4Very low240 Ų240140.7 Ų140.791%0.90677%0.768SS**THydrogen-bonded Turntrans-60.9-10.6171.4-162.1173.1-179.5159.9-0.7112.7
138E42.3Very low41Very low127 Ų127141.4 Ų141.459%0.59377%0.767SS**THydrogen-bonded Turntrans-92.9-8.7177.4-57.2170.813600114N136 Q140 S141N136-E138 PolarHBondContact ND2-OE2 2.92Å; N136-E138 PolarHBondContact O-N 3.09Å; N136-E138 VanDerWaalsContact O-N 3.12Å; N136-E138 VanDerWaalsContact OD1-CB 3.31Å; N136-E138 WeakPolarHBondContact OD1-CB 3.44Å; N136-E138 WeakPolarHBondContact OD1-CG 3.37Å; N136-E138 PolarHBondContact OD1-N 3.41Å; N136-E138 PolarHBondContact OD1-OE2 3.1Å; E138-Q140 PolarHBondContact O-N 3.09Å; E138-S141 PolarHBondContact O-N 3.46Å; E138-S141 PolarHBondContact O-OG 2.83Å
139A43.7Very low41.3Very low68 Ų68137.5 Ų137.556%0.56276%0.76SS**THydrogen-bonded Turntrans-70.8-9.8177.800000113.5N136N136-A139 PolarHBondContact O-N 3.03Å; N136-A139 VanDerWaalsContact O-N 3.17Å
140Q44.8Very low41.8Very low187 Ų187139.4 Ų139.487%0.87476%0.764SS**THydrogen-bonded Turntrans-84.4-12.4177.5-69.1-174.7-2.400114E138E138-Q140 PolarHBondContact O-N 3.09Å
141S39.4Very low42.8Very low92 Ų92132.4 Ų132.464%0.64373%0.734SS**THydrogen-bonded Turntrans-107-11.1-178.362.90000115.3E138E138-S141 PolarHBondContact O-N 3.46Å; E138-S141 PolarHBondContact O-OG 2.83Å
142V43.4Very low43.9Very low118 Ų118131.8 Ų131.872%0.71572%0.722SS**SBendtrans-100.71.7-172.2-175.20000113.4M144V142-M144 VanDerWaalsContact C-N 3.3Å; V142-M144 PolarHBondContact O-N 2.94Å; V142-M144 VanDerWaalsContact O-N 3.17Å
143L42.9Very low45Very low136 Ų136127.2 Ų127.271%0.71271%0.712SS**  trans-89.941.2-177-147.286.1000113.9
144M38.4Very low45.6Very low187 Ų187124.1 Ų124.192%0.92170%0.698SS**SBendtrans-118.620-179.8-79-71.5-75.900113.9V142V142-M144 VanDerWaalsContact C-N 3.3Å; V142-M144 PolarHBondContact O-N 2.94Å; V142-M144 VanDerWaalsContact O-N 3.17Å
145G38.2Very low46.5Very low73 Ų73114.8 Ų114.875%0.75367%0.671SS**  trans-154.719.7-171.400000119.3
146A39.9Very low47.6Very low92 Ų92111 Ų11176%0.7665%0.651SS**  trans-98.1132.1177.200000112.1
147P43Very low48.3Very low126 Ų126113.3 Ų113.382%0.81866%0.659SS**  trans-67148.9178.228.5-32.9000111.5A149P147-A149 PolarHBondContact O-N 3.1Å
148E45.1Very low49Very low156 Ų156104.3 Ų104.373%0.72964%0.636SS**  trans-6799.4-169.9-57-160.9110.400112.8E150E148-E150 PolarHBondContact O-N 3.19Å
149A49.1Very low49.9Very low74 Ų74101.4 Ų101.461%0.61262%0.623SS**  trans-73.9122.1161.300000109.3R26 P147 T151R26-A149 PolarHBondContact NH2-O 2.61Å; P147-A149 PolarHBondContact O-N 3.1Å; A149-T151 PolarHBondContact O-N 2.97Å; A149-T151 VanDerWaalsContact O-N 3.1Å
150E48.7Very low50.8Low188 Ų188101.5 Ų101.588%0.87962%0.624SS**  trans-48.6119.5173.9-76.2-178.7123.800110.2E148 T152E148-E150 PolarHBondContact O-N 3.19Å; E150-T152 PolarHBondContact O-N 3.31Å
151T54.9Low51.9Low47 Ų4797.8 Ų97.829%0.28861%0.606SS.*  trans-77.8115.2173.7-63.30000106.6R25 A149 A155R25-T151 PolarHBondContact NH2-OG1 3.14Å; A149-T151 PolarHBondContact O-N 2.97Å; A149-T151 VanDerWaalsContact O-N 3.1Å; T151-A155 HydrophobicContact CG2-CB 3.73Å
152T62Low53.1Low79 Ų7994.8 Ų94.849%0.48558%0.584SS.*  trans-60149.1177.959.80000110.5E150 A154 A155 A156E150-T152 PolarHBondContact O-N 3.31Å; T152-A154 PolarHBondContact O-N 3.33Å; T152-A154 VanDerWaalsContact O-N 3.14Å; T152-A155 WeakPolarHBondContact O-CB 3Å; T152-A155 PolarHBondContact O-N 3.12Å; T152-A155 PolarHBondContact OG1-N 3.45Å; T152-A156 PolarHBondContact O-N 3.49Å; T152-A156 VanDerWaalsContact O-N 3.11Å
153S61.6Low54.3Low99 Ų9989.8 Ų89.869%0.69255%0.554SS**Hα-helixtrans-49.8-40.1176.8-176.90000112.2A155 A156 E157S153-A155 PolarHBondContact O-N 3.38Å; S153-A156 PolarHBondContact O-N 3.47Å; S153-E157 WeakPolarHBondContact O-CB 3.29Å; S153-E157 PolarHBondContact O-N 3.22Å
154A58.1Low55.1Low58 Ų5884 Ų8448%0.47953%0.527SS..Hα-helixtrans-62.1-39.6177.200000113T152 A158T152-A154 PolarHBondContact O-N 3.33Å; T152-A154 VanDerWaalsContact O-N 3.14Å; A154-A158 VanDerWaalsContact O-CB 3.3Å; A154-A158 WeakPolarHBondContact O-CB 3.28Å; A154-A158 PolarHBondContact O-N 2.9Å
155A57.1Low55.9Low38 Ų3879.7 Ų79.731%0.31451%0.505SS..Hα-helixtrans-69.8-36.3176.500000111.5T151 T152 S153 M159T151-A155 HydrophobicContact CG2-CB 3.73Å; T152-A155 WeakPolarHBondContact O-CB 3Å; T152-A155 PolarHBondContact O-N 3.12Å; T152-A155 PolarHBondContact OG1-N 3.45Å; S153-A155 PolarHBondContact O-N 3.38Å; A155-M159 WeakPolarHBondContact O-CB 3.37Å; A155-M159 WeakPolarHBondContact O-CG 3.3Å; A155-M159 PolarHBondContact O-N 3.27Å
156A59Low56.5Low54 Ų5479.4 Ų79.445%0.44648%0.484SS..Hα-helixtrans-66.7-41.9174.700000112.1T152 S153 M159 A160T152-A156 PolarHBondContact O-N 3.49Å; T152-A156 VanDerWaalsContact O-N 3.11Å; S153-A156 PolarHBondContact O-N 3.47Å; A156-M159 PolarHBondContact O-N 3.1Å; A156-A160 PolarHBondContact O-N 3.44Å
157E59.1Low56.9Low141 Ų14185.1 Ų85.166%0.65949%0.486SS*.Hα-helixtrans-65-44.7176.4-171.4176.8176.600111.8S153 M159 A160 E161S153-E157 WeakPolarHBondContact O-CB 3.29Å; S153-E157 PolarHBondContact O-N 3.22Å; E157-M159 VanDerWaalsContact C-N 3.28Å; E157-M159 PolarHBondContact O-N 3.4Å; E157-A160 WeakPolarHBondContact O-CB 3.17Å; E157-A160 PolarHBondContact O-N 3.3Å; E157-A160 VanDerWaalsContact O-N 3.08Å; E157-E161 PolarHBondContact O-N 2.94Å
158A58.7Low57.2Low51 Ų5184.9 Ų84.942%0.42147%0.474SS..Hα-helixtrans-61.2-38174.600000112.1A154 E161 V162A154-A158 VanDerWaalsContact O-CB 3.3Å; A154-A158 WeakPolarHBondContact O-CB 3.28Å; A154-A158 PolarHBondContact O-N 2.9Å; A158-E161 PolarHBondContact O-N 3.26Å; A158-V162 PolarHBondContact O-N 3.02Å
159M60.1Low57Low66 Ų6682.4 Ų82.433%0.32547%0.471SS..Hα-helixtrans-67.5-36.3174.2-71-68.3-69.400111.7Y30 A155 A156 E157 V162 C163Y30-M159 HydrophobicContact CG-CE 4.48Å; A155-M159 WeakPolarHBondContact O-CB 3.37Å; A155-M159 WeakPolarHBondContact O-CG 3.3Å; A155-M159 PolarHBondContact O-N 3.27Å; A156-M159 PolarHBondContact O-N 3.1Å; E157-M159 VanDerWaalsContact C-N 3.28Å; E157-M159 PolarHBondContact O-N 3.4Å; M159-V162 PolarHBondContact O-N 2.94Å; M159-C163 WeakPolarHBondContact O-CA 3.33Å; M159-C163 WeakPolarHBondContact O-CB 3.44Å; M159-C163 PolarHBondContact O-N 3.08Å
160A62.7Low56.5Low69 Ų6986.9 Ų86.957%0.5748%0.479SS*.Hα-helixtrans-69.3-30.5176.300000113.2A156 E157 V162A156-A160 PolarHBondContact O-N 3.44Å; E157-A160 WeakPolarHBondContact O-CB 3.17Å; E157-A160 PolarHBondContact O-N 3.3Å; E157-A160 VanDerWaalsContact O-N 3.08Å; A160-V162 VanDerWaalsContact C-N 3.29Å; A160-V162 PolarHBondContact O-N 3.34Å
161E67.9Low56.1Low109 Ų10986.8 Ų86.851%0.50948%0.479SS..Hα-helixtrans-66.9-32.4175.3-165.6-169155.100112N33 E157 A158N33-E161 PolarHBondContact ND2-O 3.33Å; E157-E161 PolarHBondContact O-N 2.94Å; A158-E161 PolarHBondContact O-N 3.26Å
162V64.8Low55.2Low30 Ų3090.9 Ų90.918%0.18250%0.499CS..Hα-helixtrans-107.5-21.6-171-174.20000113L9 L32 N33 A158 M159 A160L9-V162 HydrophobicContact CD2-CG1 4.03Å; L32-V162 HydrophobicContact CD2-CG1 3.69Å; N33-V162 PolarHBondContact N-O 3.41Å; N33-V162 PolarHBondContact OD1-O 3.28Å; A158-V162 PolarHBondContact O-N 3.02Å; M159-V162 PolarHBondContact O-N 2.94Å; A160-V162 VanDerWaalsContact C-N 3.29Å; A160-V162 PolarHBondContact O-N 3.34Å
163C68.1Low53.9Low13 Ų1391.2 Ų91.29%0.08852%0.518CS..EExtended strand (participates in β ladder)trans-118.2139.4-178.3-54.50000111.5Y30 C31 M159Y30-C163 HydrophobicContact CD1-CB 4.36Å; C31-C163 CarbonylContact O-C 3.53Å; C31-C163 WeakPolarHBondContact O-CA 3.38Å; M159-C163 WeakPolarHBondContact O-CA 3.33Å; M159-C163 WeakPolarHBondContact O-CB 3.44Å; M159-C163 PolarHBondContact O-N 3.08Å
164G61.4Low52.7Low14 Ų1491.9 Ų91.914%0.14452%0.523CS..EExtended strand (participates in β ladder)trans-87.6137.3160.300000109.9C31C31-G164 PolarHBondContact N-O 3.17Å; C31-G164 PolarHBondContact O-N 2.91Å
165E55.4Low51.5Low97 Ų9795.9 Ų95.945%0.45354%0.536SS..EExtended strand (participates in β ladder)trans-83.6112.4166.6-166.7173.3103.700107.7R28 R167R28-E165 IonicContact NH1-OE2 3.99Å; E165-R167 IonicContact OE1-NE 3.39Å; E165-R167 PolarHBondContact OE1-NE 2.81Å
166E49.6Very low50.4Low66 Ų66101 Ų10131%0.30856%0.558SS.*  trans-88.8108.3160.5-70.8-165.1130.300106.9E168E166-E168 PolarHBondContact O-N 3.04Å
167R48.2Very low49.4Very low212 Ų212106.3 Ų106.380%0.858%0.578SS**  trans-71.6115.3163.7-73.4-173.3-178.1-179.81107.1E165E165-R167 IonicContact OE1-NE 3.39Å; E165-R167 PolarHBondContact OE1-NE 2.81Å
168E50.1Low48.2Very low122 Ų122107.9 Ų107.957%0.5758%0.583SS**  trans-51.4132.7163.1-71.5-91.7137.500108R29 E166 H170R29-E168 IonicContact CZ-OE1 3.13Å; R29-E168 IonicContact NH1-OE1 2.65Å; R29-E168 PolarHBondContact NH1-OE1 2.88Å; R29-E168 IonicContact NH2-OE1 3.13Å; R29-E168 PolarHBondContact NH2-OE1 3.08Å; R29-E168 VanDerWaalsContact NH2-OE1 3.13Å; E166-E168 PolarHBondContact O-N 3.04Å; E168-H170 PolarHBondContact O-N 2.94Å; E168-H170 VanDerWaalsContact O-N 3.14Å
169P39.9Very low47.1Very low104 Ų104111.7 Ų111.768%0.67561%0.605SS**  trans-59.2122.2166.825.2-29.4000106.9E171P169-E171 PolarHBondContact O-N 3.01Å
170H38.5Very low45.7Very low168 Ų168118.9 Ų118.978%0.77863%0.629SS**  trans-61.3105.9169.9-150-92.7000105.7E168 D172E168-H170 PolarHBondContact O-N 2.94Å; E168-H170 VanDerWaalsContact O-N 3.14Å; H170-D172 IonicContact ND1-OD1 3.57Å; H170-D172 PolarHBondContact O-N 3.29Å
171E40.7Very low44.6Very low185 Ų185120.5 Ų120.586%0.86464%0.635SS**  trans-68.881.8169.2-68.4-138.1133.900107.5P169 G173P169-E171 PolarHBondContact O-N 3.01Å; E171-G173 PolarHBondContact O-N 3.41Å; E171-G173 VanDerWaalsContact O-N 3.17Å
172D37.2Very low43Very low134 Ų134120.4 Ų120.472%0.71765%0.647SS**  trans-63.9109.6155.3-94.4-6.7000106.3H170 S174H170-D172 IonicContact ND1-OD1 3.57Å; H170-D172 PolarHBondContact O-N 3.29Å; D172-S174 PolarHBondContact O-N 2.95Å
173G32.8Very low41.7Very low86 Ų86126 Ų12689%0.88768%0.681SS**  trans-54.7102.2174.600000110.4E171E171-G173 PolarHBondContact O-N 3.41Å; E171-G173 VanDerWaalsContact O-N 3.17Å
174S37.9Very low40Very low112 Ų112130.5 Ų130.578%0.78371%0.713SS**  trans-140.1119.7159-170.90000108.7D172D172-S174 PolarHBondContact O-N 2.95Å
175N33Very low38.8Very low142 Ų142138 Ų13876%0.75977%0.773SS**  trans-47.5161.9168.9-64.2-47.8000112.5
176D33.6Very low38Very low147 Ų147140 Ų14079%0.78679%0.789SS**  trans82.599.2169.1-61.9-50.2000116.2
177L38.6Very low37.4Very low165 Ų165143.9 Ų143.986%0.86481%0.814SS**  -162.9117.8106-119.279000112.4C179L177-C179 PolarHBondContact O-N 3.11Å
178K33Very low36.8Very low174 Ų174140.1 Ų140.176%0.75782%0.815SS**  trans-67.7100.2172.2-179.6175.8-175.7174.40110.5R180K178-R180 PolarHBondContact O-N 3.13Å
179C35Very low36Very low131 Ų131141.2 Ų141.289%0.88583%0.829SS**  trans-96.381.6160.3-80.40000109.9L177L177-C179 PolarHBondContact O-N 3.11Å
180R32.2Very low35.8Very low217 Ų217143.5 Ų143.582%0.81984%0.839SS**  trans-93.2116.9157-93.1-175.8161.9-165.8-3.3108.2K178K178-R180 PolarHBondContact O-N 3.13Å
181S39.9Very low35.6Very low102 Ų102141.9 Ų141.971%0.71384%0.843SS**  trans-164.2101142.355.40000106.6
182S33.8Very low35.2Very low107 Ų107138.8 Ų138.875%0.74884%0.841SS**  53.6117.5107.357.40000111.9
183V37.2Very low35.1Very low149 Ų149139.2 Ų139.290%0.90385%0.851SS**  -150.6149.273.9171.10000111.5
184S31.9Very low35.3Very low107 Ų107143.6 Ų143.675%0.74885%0.848SS**  trans-83.3159.3-165.3-174.90000115.1
185A37.1Very low35Very low170 Ų170146.5 Ų146.5100%1.40585%0.853SS**  trans56.20152.100000119.1

Retrieved 185 of 185 residues in 79.1 ms (Link to these results)

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