A0A077ZLB1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLB1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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
1M41.9Very low77.4Confident238 Ų23873 Ų73100%1.17236%0.362SS*.  0127.40-76.8-177.6-125.800106.1E3M1-E3 PolarHBondContact O-N 3.38Å
2A57.2Low78Confident93 Ų9371.8 Ų71.877%0.76936%0.357SS*.PPolyproline II helixtrans-61.4123.4173.300000107.6K4A2-K4 PolarHBondContact O-N 3.15Å; A2-K4 VanDerWaalsContact O-N 3.11Å
3E65.1Low78.3Confident135 Ų13576.4 Ų76.463%0.63137%0.374SS*.PPolyproline II helixtrans-61.1117.3172.9-72.3-173.8146.400107.4M1 K5M1-E3 PolarHBondContact O-N 3.38Å; E3-K5 HydrophobicContact CB-CD 4.44Å; E3-K5 HydrophobicContact CB-CG 4.34Å; E3-K5 PolarHBondContact O-N 3.26Å; E3-K5 WeakPolarHBondContact OE2-CE 3.31Å; E3-K5 IonicContact OE2-NZ 2.99Å; E3-K5 PolarHBondContact OE2-NZ 3.04Å
4K74.5Confident78.2Confident112 Ų11273 Ų7349%0.48736%0.362SS..PPolyproline II helixtrans-65125.2174.8-63.8-174.5176.2-170.10107A2 D127 Y128A2-K4 PolarHBondContact O-N 3.15Å; A2-K4 VanDerWaalsContact O-N 3.11Å; K4-D127 HydrophobicContact CB-CB 4.17Å; K4-D127 HydrophobicContact CG-CB 4.5Å; K4-Y128 HydrophobicContact CB-CD1 3.79Å; K4-Y128 HydrophobicContact CB-CD2 4.34Å; K4-Y128 HydrophobicContact CB-CE1 3.65Å; K4-Y128 HydrophobicContact CB-CE2 4.22Å; K4-Y128 HydrophobicContact CB-CG 4.15Å; K4-Y128 HydrophobicContact CD-CD1 3.99Å; K4-Y128 HydrophobicContact CD-CE1 4.44Å; K4-Y128 WeakPolarHBondContact O-CE2 3.42Å; K4-Y128 PolarHBondContact O-OH 2.88Å
5K82.8Confident77.8Confident45 Ų4582.1 Ų82.120%0.19640%0.403CS..  trans-139.3165.2-177.8-66.8-176.5177.8-173.20110.2E3 Y7 D30 D127E3-K5 HydrophobicContact CB-CD 4.44Å; E3-K5 HydrophobicContact CB-CG 4.34Å; E3-K5 PolarHBondContact O-N 3.26Å; E3-K5 WeakPolarHBondContact OE2-CE 3.31Å; E3-K5 IonicContact OE2-NZ 2.99Å; E3-K5 PolarHBondContact OE2-NZ 3.04Å; K5-Y7 HydrophobicContact CB-CD2 4.43Å; K5-Y7 HydrophobicContact CB-CE1 4.47Å; K5-Y7 HydrophobicContact CB-CE2 3.77Å; K5-D30 WeakPolarHBondContact CD-OD2 3.29Å; K5-D30 WeakPolarHBondContact CE-OD2 3.39Å; K5-D30 VanDerWaalsContact NZ-CG 3.33Å; K5-D30 IonicContact NZ-OD1 3.34Å; K5-D30 PolarHBondContact NZ-OD1 3.14Å; K5-D30 IonicContact NZ-OD2 2.68Å; K5-D30 PolarHBondContact NZ-OD2 3.49Å; K5-D127 WeakPolarHBondContact O-CB 3.44Å; K5-D127 PolarHBondContact O-N 2.82Å
6F85.1Confident77.4Confident24 Ų2487.9 Ų87.911%0.10543%0.429CS..EExtended strand (participates in β ladder)trans-90.2121.7169.7-59.4-69.1000108.6L28 Y39 W124 D126 Y128F6-L28 HydrophobicContact CB-CB 4.23Å; F6-L28 PolarHBondContact O-N 3.34Å; F6-Y39 HydrophobicContact CD2-CD1 4.21Å; F6-Y39 HydrophobicContact CD2-CD2 4.3Å; F6-Y39 AromaticContact CD2-CG 3.87Å; F6-Y39 HydrophobicContact CD2-CG 3.87Å; F6-Y39 AromaticContact CE2-CD1 3.54Å; F6-Y39 HydrophobicContact CE2-CD1 3.54Å; F6-Y39 HydrophobicContact CE2-CD2 4.37Å; F6-Y39 HydrophobicContact CE2-CE1 4.08Å; F6-Y39 AromaticContact CE2-CG 3.69Å; F6-Y39 HydrophobicContact CE2-CG 3.69Å; F6-Y39 AromaticContact CZ-CD1 3.88Å; F6-Y39 HydrophobicContact CZ-CD1 3.88Å; F6-Y39 AromaticContact CZ-CE1 3.93Å; F6-Y39 HydrophobicContact CZ-CE1 3.93Å; F6-Y39 HydrophobicContact CZ-CG 4.29Å; F6-W124 HydrophobicContact CB-CH2 3.75Å; F6-W124 HydrophobicContact CB-CZ2 3.82Å; F6-W124 HydrophobicContact CD1-CH2 4.15Å; F6-W124 AromaticContact CD1-CZ2 3.43Å; F6-W124 HydrophobicContact CD1-CZ2 3.43Å; F6-W124 VanDerWaalsContact CD1-CZ2 3.43Å; F6-W124 HydrophobicContact CE1-CZ2 4.2Å; F6-W124 HydrophobicContact CG-CH2 4.02Å; F6-W124 AromaticContact CG-CZ2 3.78Å; F6-W124 HydrophobicContact CG-CZ2 3.78Å; F6-D126 HydrophobicContact CD1-CB 4.29Å; F6-D126 HydrophobicContact CE1-CB 4.38Å; F6-Y128 HydrophobicContact CD1-CD2 4.33Å; F6-Y128 HydrophobicContact CD2-CE2 4.26Å; F6-Y128 AromaticContact CE1-CD2 3.72Å; F6-Y128 HydrophobicContact CE1-CD2 3.72Å; F6-Y128 HydrophobicContact CE1-CE2 4.26Å; F6-Y128 HydrophobicContact CE2-CD2 4.07Å; F6-Y128 AromaticContact CE2-CE2 3.78Å; F6-Y128 HydrophobicContact CE2-CE2 3.78Å; F6-Y128 AromaticContact CZ-CD2 3.57Å; F6-Y128 HydrophobicContact CZ-CD2 3.57Å; F6-Y128 AromaticContact CZ-CE2 3.79Å; F6-Y128 HydrophobicContact CZ-CE2 3.79Å
7Y88.1Confident77Confident59 Ų5984.2 Ų84.223%0.23142%0.419CS..EExtended strand (participates in β ladder)trans-111.3141.9178.7-61.2-87.3000110.9K5 R25 K26 Y125 D127K5-Y7 HydrophobicContact CB-CD2 4.43Å; K5-Y7 HydrophobicContact CB-CE1 4.47Å; K5-Y7 HydrophobicContact CB-CE2 3.77Å; Y7-R25 HydrophobicContact CD1-CB 4.36Å; Y7-K26 CarbonylContact C-O 3.56Å; Y7-K26 VanDerWaalsContact CA-O 3.26Å; Y7-K26 WeakPolarHBondContact CA-O 3.45Å; Y7-Y125 PolarHBondContact N-O 2.92Å; Y7-Y125 PolarHBondContact O-N 3.48Å; Y7-D127 VanDerWaalsContact CE2-OD2 3.31Å; Y7-D127 WeakPolarHBondContact CE2-OD2 3.48Å
8I90.3Very high77Confident1 Ų181.3 Ų81.31%0.00541%0.41CS..EExtended strand (participates in β ladder)trans-121.6136.6171.860.6172000109.9K26 L28 F32 L113 Y116 L117 I122 L123 W124I8-K26 HydrophobicContact CG1-CB 4.49Å; I8-K26 PolarHBondContact N-O 3.46Å; I8-K26 PolarHBondContact O-N 3.24Å; I8-L28 HydrophobicContact CD1-CD1 4.07Å; I8-F32 HydrophobicContact CD1-CE2 3.64Å; I8-F32 HydrophobicContact CD1-CZ 3.74Å; I8-F32 HydrophobicContact CG1-CE2 4.06Å; I8-F32 HydrophobicContact CG1-CZ 4.39Å; I8-L113 HydrophobicContact CD1-CD1 4.27Å; I8-Y116 HydrophobicContact CD1-CD1 3.93Å; I8-Y116 HydrophobicContact CD1-CE1 3.82Å; I8-Y116 HydrophobicContact CG1-CE1 4.11Å; I8-L117 HydrophobicContact CD1-CD2 4.01Å; I8-I122 HydrophobicContact CB-CG2 4.07Å; I8-I122 HydrophobicContact CG2-CG2 4.19Å; I8-L123 WeakPolarHBondContact CA-O 3.39Å; I8-W124 HydrophobicContact CG2-CE3 3.5Å; I8-W124 VanDerWaalsContact CG2-CE3 3.5Å; I8-W124 HydrophobicContact CG2-CZ3 3.73Å
9Q89.1Confident77.2Confident22 Ų2279.7 Ų79.710%0.10340%0.399CS..EExtended strand (participates in β ladder)trans-127.5126.9173.5-168.1172.315.900109.8Y11 G23 R25 L123Q9-Y11 HydrophobicContact CB-CE2 4.23Å; Q9-Y11 HydrophobicContact CG-CE2 3.93Å; Q9-G23 PolarHBondContact NE2-O 3.19Å; Q9-G23 VanDerWaalsContact NE2-O 3.09Å; Q9-R25 HydrophobicContact CB-CG 4.14Å; Q9-R25 HydrophobicContact CG-CG 4.4Å; Q9-L123 HydrophobicContact CB-CB 4.38Å; Q9-L123 PolarHBondContact N-O 2.81Å; Q9-L123 PolarHBondContact O-N 2.95Å
10R89.2Confident77.5Confident47 Ų4781.9 Ų81.918%0.17741%0.406CS..EExtended strand (participates in β ladder)trans-85.8137.3-178.8-174.7164.482.1165.70.1110.6L12 A21 D22 Y116 A120 I122R10-L12 HydrophobicContact CG-CG 4.42Å; R10-A21 CarbonylContact O-C 3.58Å; R10-A21 WeakPolarHBondContact O-CA 3.4Å; R10-D22 HydrophobicContact CB-CB 4.18Å; R10-D22 HydrophobicContact CG-CB 4.18Å; R10-D22 IonicContact CZ-OD2 3.13Å; R10-D22 IonicContact NE-OD2 2.82Å; R10-D22 PolarHBondContact NE-OD2 3.41Å; R10-D22 IonicContact NH2-OD2 2.63Å; R10-D22 PolarHBondContact NH2-OD2 3.38Å; R10-D22 PolarHBondContact O-N 3.32Å; R10-Y116 HydrophobicContact CB-CE1 3.98Å; R10-Y116 HydrophobicContact CB-CE2 4.01Å; R10-Y116 WeakPolarHBondContact CB-OH 3.39Å; R10-Y116 WeakPolarHBondContact CD-O 3.2Å; R10-Y116 PolarHBondContact N-OH 2.84Å; R10-Y116 PolarHBondContact NH1-O 2.86Å; R10-Y116 VanDerWaalsContact NH1-O 3.09Å; R10-A120 HydrophobicContact CG-CB 3.34Å; R10-I122 HydrophobicContact CB-CD1 4.31Å; R10-I122 HydrophobicContact CG-CD1 4.2Å
11Y87.7Confident77.8Confident27 Ų2780.1 Ų80.111%0.10640%0.404CS..EExtended strand (participates in β ladder)trans-121.7120.3172.3-76.3-98000109.6Q9 W19 K20 A21 L121 L123 L179Q9-Y11 HydrophobicContact CB-CE2 4.23Å; Q9-Y11 HydrophobicContact CG-CE2 3.93Å; Y11-W19 HydrophobicContact CD1-CB 4.45Å; Y11-K20 CarbonylContact C-O 3.59Å; Y11-K20 WeakPolarHBondContact CA-O 3.45Å; Y11-A21 HydrophobicContact CD1-CB 4.19Å; Y11-A21 HydrophobicContact CE1-CB 3.71Å; Y11-L121 PolarHBondContact N-O 3.08Å; Y11-L121 PolarHBondContact O-N 3.36Å; Y11-L123 HydrophobicContact CD2-CB 4.07Å; Y11-L123 HydrophobicContact CE2-CB 3.77Å; Y11-L123 HydrophobicContact CE2-CD2 3.69Å; Y11-L123 HydrophobicContact CE2-CG 4.43Å; Y11-L179 HydrophobicContact CD1-CD1 3.83Å; Y11-L179 HydrophobicContact CD1-CD2 4.26Å; Y11-L179 HydrophobicContact CD1-CG 4.48Å; Y11-L179 HydrophobicContact CD2-CD1 4.12Å; Y11-L179 HydrophobicContact CE1-CD1 3.73Å; Y11-L179 HydrophobicContact CE2-CD1 4.04Å; Y11-L179 HydrophobicContact CG-CD1 4.02Å; Y11-L179 HydrophobicContact CG-CD2 4.28Å
12L85.4Confident79.6Confident58 Ų5871.7 Ų71.730%0.30436%0.364SS..EExtended strand (participates in β ladder)trans-103.5145.6176.9-67.2174.3000110R10 S14 W19 K20 D22 A120R10-L12 HydrophobicContact CG-CG 4.42Å; L12-S14 PolarHBondContact O-N 3.46Å; L12-W19 WeakPolarHBondContact O-CA 3.36Å; L12-K20 PolarHBondContact N-O 2.82Å; L12-K20 PolarHBondContact O-N 3.33Å; L12-D22 HydrophobicContact CD1-CB 3.83Å; L12-D22 HydrophobicContact CG-CB 4.02Å; L12-A120 HydrophobicContact CD2-CB 3.69Å
13K81.5Confident80.6Confident132 Ų13269.8 Ų69.857%0.57435%0.353SS*.EExtended strand (participates in β ladder)trans-80118.6175.3-161.9173.6-176.2177.60108.8W19K13-W19 HydrophobicContact CB-CD2 4.27Å; K13-W19 HydrophobicContact CB-CE3 3.92Å; K13-W19 HydrophobicContact CB-CH2 3.95Å; K13-W19 HydrophobicContact CB-CZ2 4.29Å; K13-W19 HydrophobicContact CB-CZ3 3.76Å; K13-W19 HydrophobicContact CD-CH2 4.38Å; K13-W19 HydrophobicContact CD-CZ2 4.1Å; K13-W19 HydrophobicContact CG-CD2 4.47Å; K13-W19 HydrophobicContact CG-CZ2 4.39Å
14S76.7Confident81.4Confident29 Ų2970.6 Ų70.620%0.20336%0.361CS..PPolyproline II helixtrans-71161.8171.964.10000111.3L12 Q16 G17 A18L12-S14 PolarHBondContact O-N 3.46Å; S14-Q16 PolarHBondContact O-N 2.84Å; S14-Q16 VanDerWaalsContact O-N 3.13Å; S14-G17 WeakPolarHBondContact O-CA 3.45Å; S14-G17 PolarHBondContact O-N 3.17Å; S14-A18 WeakPolarHBondContact CB-O 3.29Å; S14-A18 PolarHBondContact N-O 2.79Å; S14-A18 PolarHBondContact OG-N 2.92Å; S14-A18 PolarHBondContact OG-O 3.43Å
15E73Confident81.7Confident210 Ų21071.3 Ų71.398%0.98136%0.36SS*.THydrogen-bonded Turntrans-55.4-30.1175.5-64.9-176.2162.700112.9G17E15-G17 PolarHBondContact O-N 3.26Å
16Q70.3Confident81.8Confident175 Ų17572.8 Ų72.882%0.81837%0.367SS*.THydrogen-bonded Turntrans-77.42.4176.3-65.4179.4-16.200113.3S14 A18S14-Q16 PolarHBondContact O-N 2.84Å; S14-Q16 VanDerWaalsContact O-N 3.13Å; Q16-A18 VanDerWaalsContact C-N 3.27Å; Q16-A18 PolarHBondContact O-N 2.79Å
17G71.9Confident81.7Confident25 Ų2571.9 Ų71.926%0.25836%0.363SS..SBendtrans82-5.3178.900000115.2S14 E15S14-G17 WeakPolarHBondContact O-CA 3.45Å; S14-G17 PolarHBondContact O-N 3.17Å; E15-G17 PolarHBondContact O-N 3.26Å
18A76.9Confident81.4Confident32 Ų3269 Ų6926%0.26435%0.352SS..  trans-80.1141.3175.800000111.4S14 Q16S14-A18 WeakPolarHBondContact CB-O 3.29Å; S14-A18 PolarHBondContact N-O 2.79Å; S14-A18 PolarHBondContact OG-N 2.92Å; S14-A18 PolarHBondContact OG-O 3.43Å; Q16-A18 VanDerWaalsContact C-N 3.27Å; Q16-A18 PolarHBondContact O-N 2.79Å
19W80.6Confident80.8Confident50 Ų5071 Ų7119%0.18936%0.361CS..EExtended strand (participates in β ladder)trans-81.7123.5173.6-65.199.2000109.9Y11 L12 K13 L121 L179Y11-W19 HydrophobicContact CD1-CB 4.45Å; L12-W19 WeakPolarHBondContact O-CA 3.36Å; K13-W19 HydrophobicContact CB-CD2 4.27Å; K13-W19 HydrophobicContact CB-CE3 3.92Å; K13-W19 HydrophobicContact CB-CH2 3.95Å; K13-W19 HydrophobicContact CB-CZ2 4.29Å; K13-W19 HydrophobicContact CB-CZ3 3.76Å; K13-W19 HydrophobicContact CD-CH2 4.38Å; K13-W19 HydrophobicContact CD-CZ2 4.1Å; K13-W19 HydrophobicContact CG-CD2 4.47Å; K13-W19 HydrophobicContact CG-CZ2 4.39Å; W19-L121 HydrophobicContact CD2-CD1 3.67Å; W19-L121 HydrophobicContact CE3-CB 4.45Å; W19-L121 HydrophobicContact CE3-CD1 3.77Å; W19-L121 HydrophobicContact CE3-CG 4.17Å; W19-L121 HydrophobicContact CG-CD1 4.37Å; W19-L121 HydrophobicContact CH2-CD1 3.67Å; W19-L121 HydrophobicContact CH2-CG 3.76Å; W19-L121 HydrophobicContact CZ2-CD1 3.56Å; W19-L121 HydrophobicContact CZ2-CG 4.16Å; W19-L121 HydrophobicContact CZ3-CB 4.28Å; W19-L121 HydrophobicContact CZ3-CD1 3.77Å; W19-L121 HydrophobicContact CZ3-CG 3.77Å; W19-L179 HydrophobicContact CB-CB 4.27Å; W19-L179 HydrophobicContact CB-CD2 3.65Å; W19-L179 HydrophobicContact CD2-CD2 4.47Å; W19-L179 HydrophobicContact CG-CD2 3.81Å
20K82.7Confident80.3Confident124 Ų12473.3 Ų73.354%0.53938%0.375SS..EExtended strand (participates in β ladder)trans-116.2139.4176.8-67-172.4-179.4179.60109.7Y11 L12 D22Y11-K20 CarbonylContact C-O 3.59Å; Y11-K20 WeakPolarHBondContact CA-O 3.45Å; L12-K20 PolarHBondContact N-O 2.82Å; L12-K20 PolarHBondContact O-N 3.33Å; K20-D22 PolarHBondContact O-N 3.25Å
21A83Confident79.6Confident45 Ų4575.6 Ų75.637%0.37239%0.39SS..EExtended strand (participates in β ladder)trans-63.4125.917300000109.4R10 Y11 G23R10-A21 CarbonylContact O-C 3.58Å; R10-A21 WeakPolarHBondContact O-CA 3.4Å; Y11-A21 HydrophobicContact CD1-CB 4.19Å; Y11-A21 HydrophobicContact CE1-CB 3.71Å; A21-G23 VanDerWaalsContact C-N 3.28Å; A21-G23 PolarHBondContact O-N 3.06Å
22D81.3Confident78.8Confident61 Ų6174.7 Ų74.733%0.32639%0.387SS..  trans-88.671.9174.9-174.265.2000109.1R10 L12 K20R10-D22 HydrophobicContact CB-CB 4.18Å; R10-D22 HydrophobicContact CG-CB 4.18Å; R10-D22 IonicContact CZ-OD2 3.13Å; R10-D22 IonicContact NE-OD2 2.82Å; R10-D22 PolarHBondContact NE-OD2 3.41Å; R10-D22 IonicContact NH2-OD2 2.63Å; R10-D22 PolarHBondContact NH2-OD2 3.38Å; R10-D22 PolarHBondContact O-N 3.32Å; L12-D22 HydrophobicContact CD1-CB 3.83Å; L12-D22 HydrophobicContact CG-CB 4.02Å; K20-D22 PolarHBondContact O-N 3.25Å
23G77.1Confident77.5Confident52 Ų5274.2 Ų74.254%0.53640%0.396SS..SBendtrans89.6-164.3179.500000115.6Q9 A21Q9-G23 PolarHBondContact NE2-O 3.19Å; Q9-G23 VanDerWaalsContact NE2-O 3.09Å; A21-G23 VanDerWaalsContact C-N 3.28Å; A21-G23 PolarHBondContact O-N 3.06Å
24L81.3Confident76.6Confident152 Ų15270.1 Ų70.180%0.79639%0.392SS*.SBendtrans-80.2162.1-177.7-68.4166.5000111.5K26L24-K26 PolarHBondContact O-N 3.13Å
25R82.2Confident76.1Confident127 Ų12769.2 Ų69.248%0.47939%0.386SS..PPolyproline II helixtrans-59.9127.2171.7-66.3179.1-179.2175.30.3109.2Y7 Q9 Y125Y7-R25 HydrophobicContact CD1-CB 4.36Å; Q9-R25 HydrophobicContact CB-CG 4.14Å; Q9-R25 HydrophobicContact CG-CG 4.4Å; R25-Y125 PolarHBondContact NH2-OH 3.5Å
26K84Confident76.2Confident76 Ų7659.8 Ų59.833%0.3334%0.344SS..EExtended strand (participates in β ladder)trans-103.4137.5176.2-65.3-171.6-179.9-177.70110.1Y7 I8 L24 D31 F32 Y116Y7-K26 CarbonylContact C-O 3.56Å; Y7-K26 VanDerWaalsContact CA-O 3.26Å; Y7-K26 WeakPolarHBondContact CA-O 3.45Å; I8-K26 HydrophobicContact CG1-CB 4.49Å; I8-K26 PolarHBondContact N-O 3.46Å; I8-K26 PolarHBondContact O-N 3.24Å; L24-K26 PolarHBondContact O-N 3.13Å; K26-D31 WeakPolarHBondContact CA-OD2 3.36Å; K26-D31 HydrophobicContact CB-CB 4.03Å; K26-D31 WeakPolarHBondContact CB-OD2 3.2Å; K26-D31 HydrophobicContact CD-CB 4.38Å; K26-D31 HydrophobicContact CG-CB 4.41Å; K26-F32 HydrophobicContact CB-CE2 4.03Å; K26-F32 HydrophobicContact CB-CZ 4.37Å; K26-F32 HydrophobicContact CD-CE2 4.35Å; K26-F32 HydrophobicContact CD-CZ 3.96Å; K26-Y116 HydrophobicContact CD-CE1 4.44Å; K26-Y116 HydrophobicContact CD-CE2 4.08Å
27S83.4Confident76.7Confident5 Ų551.4 Ų51.44%0.03531%0.305CS..EExtended strand (participates in β ladder)trans-67.8131.2167.8179.30000109E29 D30 D31 F32S27-E29 PolarHBondContact O-N 2.74Å; S27-D30 VanDerWaalsContact CB-OD2 3.29Å; S27-D30 WeakPolarHBondContact CB-OD2 3.41Å; S27-D30 PolarHBondContact OG-N 2.95Å; S27-D30 PolarHBondContact OG-OD2 3.14Å; S27-D31 PolarHBondContact N-OD2 3.39Å; S27-D31 WeakPolarHBondContact O-CB 3.44Å; S27-D31 PolarHBondContact O-N 2.85Å; S27-F32 WeakPolarHBondContact O-CD2 3.39Å
28L81.4Confident77.3Confident0 Ų054.3 Ų54.30%031%0.308CS..THydrogen-bonded Turntrans-62.3-34.2178.1-173.769.7000111.7F6 I8 Y39 V84 L113 W124F6-L28 HydrophobicContact CB-CB 4.23Å; F6-L28 PolarHBondContact O-N 3.34Å; I8-L28 HydrophobicContact CD1-CD1 4.07Å; L28-Y39 HydrophobicContact CD2-CD2 4.13Å; L28-V84 HydrophobicContact CD2-CG1 4.18Å; L28-L113 HydrophobicContact CD1-CD1 4.04Å; L28-W124 HydrophobicContact CD2-CH2 3.84Å; L28-W124 HydrophobicContact CD2-CZ3 3.99Å
29E78.7Confident77.7Confident41 Ų4155 Ų5519%0.19230%0.304CS..THydrogen-bonded Turntrans-93.7-36.6-173.2-54.7-159.8154.900113S27 G35 V37 R38 Y39S27-E29 PolarHBondContact O-N 2.74Å; E29-G35 VanDerWaalsContact O-CA 3.27Å; E29-G35 WeakPolarHBondContact O-CA 3.18Å; E29-G35 PolarHBondContact O-N 3.44Å; E29-G35 VanDerWaalsContact O-N 3.08Å; E29-V37 VanDerWaalsContact CA-O 3.3Å; E29-V37 WeakPolarHBondContact CA-O 3.25Å; E29-V37 WeakPolarHBondContact CB-O 3.34Å; E29-R38 IonicContact OE2-CZ 3.94Å; E29-R38 IonicContact OE2-NH1 2.91Å; E29-R38 PolarHBondContact OE2-NH1 3.11Å; E29-Y39 PolarHBondContact OE1-N 2.75Å
30D77.1Confident77.9Confident72 Ų7257.8 Ų57.839%0.38532%0.317SS..THydrogen-bonded Turntrans-88.9-42.1-172.9-48.5-61.3000112.8K5 S27 F32 G34K5-D30 WeakPolarHBondContact CD-OD2 3.29Å; K5-D30 WeakPolarHBondContact CE-OD2 3.39Å; K5-D30 VanDerWaalsContact NZ-CG 3.33Å; K5-D30 IonicContact NZ-OD1 3.34Å; K5-D30 PolarHBondContact NZ-OD1 3.14Å; K5-D30 IonicContact NZ-OD2 2.68Å; K5-D30 PolarHBondContact NZ-OD2 3.49Å; S27-D30 VanDerWaalsContact CB-OD2 3.29Å; S27-D30 WeakPolarHBondContact CB-OD2 3.41Å; S27-D30 PolarHBondContact OG-N 2.95Å; S27-D30 PolarHBondContact OG-OD2 3.14Å; D30-F32 VanDerWaalsContact C-N 3.34Å; D30-F32 PolarHBondContact O-N 2.96Å; D30-G34 WeakPolarHBondContact O-CA 3.36Å; D30-G34 PolarHBondContact O-N 3.47Å
31D75.6Confident78.1Confident95 Ų9553.1 Ų53.151%0.50830%0.3SS..THydrogen-bonded Turntrans-79.6-18.5-171.6-72.6-62000113K26 S27K26-D31 WeakPolarHBondContact CA-OD2 3.36Å; K26-D31 HydrophobicContact CB-CB 4.03Å; K26-D31 WeakPolarHBondContact CB-OD2 3.2Å; K26-D31 HydrophobicContact CD-CB 4.38Å; K26-D31 HydrophobicContact CG-CB 4.41Å; S27-D31 PolarHBondContact N-OD2 3.39Å; S27-D31 WeakPolarHBondContact O-CB 3.44Å; S27-D31 PolarHBondContact O-N 2.85Å
32F69.8Low78.4Confident7 Ų751.5 Ų51.53%0.03129%0.285CS..THydrogen-bonded Turntrans-105.293-178.4-62.3-84.3000109.9I8 K26 S27 D30 V37 L113 Y116I8-F32 HydrophobicContact CD1-CE2 3.64Å; I8-F32 HydrophobicContact CD1-CZ 3.74Å; I8-F32 HydrophobicContact CG1-CE2 4.06Å; I8-F32 HydrophobicContact CG1-CZ 4.39Å; K26-F32 HydrophobicContact CB-CE2 4.03Å; K26-F32 HydrophobicContact CB-CZ 4.37Å; K26-F32 HydrophobicContact CD-CE2 4.35Å; K26-F32 HydrophobicContact CD-CZ 3.96Å; S27-F32 WeakPolarHBondContact O-CD2 3.39Å; D30-F32 VanDerWaalsContact C-N 3.34Å; D30-F32 PolarHBondContact O-N 2.96Å; F32-V37 HydrophobicContact CB-CB 4.44Å; F32-V37 HydrophobicContact CB-CG2 3.93Å; F32-V37 WeakPolarHBondContact O-CG2 3.43Å; F32-L113 HydrophobicContact CB-CD1 4.41Å; F32-L113 HydrophobicContact CD1-CB 3.99Å; F32-L113 HydrophobicContact CD1-CD1 3.56Å; F32-L113 HydrophobicContact CD1-CG 4.39Å; F32-L113 HydrophobicContact CD2-CD1 3.87Å; F32-L113 HydrophobicContact CE1-CD1 3.67Å; F32-L113 HydrophobicContact CE2-CD1 3.99Å; F32-L113 HydrophobicContact CG-CB 4.46Å; F32-L113 HydrophobicContact CG-CD1 3.67Å; F32-L113 HydrophobicContact CZ-CD1 3.89Å; F32-Y116 AromaticContact CE1-CD1 3.95Å; F32-Y116 HydrophobicContact CE1-CD1 3.95Å; F32-Y116 AromaticContact CE1-CG 3.91Å; F32-Y116 HydrophobicContact CE1-CG 3.91Å; F32-Y116 AromaticContact CZ-CD1 3.55Å; F32-Y116 HydrophobicContact CZ-CD1 3.55Å; F32-Y116 AromaticContact CZ-CE1 3.91Å; F32-Y116 HydrophobicContact CZ-CE1 3.91Å; F32-Y116 AromaticContact CZ-CG 3.94Å; F32-Y116 HydrophobicContact CZ-CG 3.94Å
33G59.4Low78.6Confident49 Ų4953.1 Ų53.151%0.50529%0.294SS..THydrogen-bonded Turntrans77.915.917600000114.9S36G33-S36 PolarHBondContact O-OG 3.39Å
34G62.5Low78.8Confident46 Ų4651.5 Ų51.547%0.47428%0.277SS..THydrogen-bonded Turntrans64.948.1171.400000114D30D30-G34 WeakPolarHBondContact O-CA 3.36Å; D30-G34 PolarHBondContact O-N 3.47Å
35G66.4Low78.7Confident9 Ų944.3 Ų44.39%0.09324%0.239CC..THydrogen-bonded Turntrans94.9-3179.200000115.1E29E29-G35 VanDerWaalsContact O-CA 3.27Å; E29-G35 WeakPolarHBondContact O-CA 3.18Å; E29-G35 PolarHBondContact O-N 3.44Å; E29-G35 VanDerWaalsContact O-N 3.08Å
36S73.9Confident78.6Confident12 Ų1243.4 Ų43.48%0.08424%0.244CC..THydrogen-bonded Turntrans-68.3-28.9174.6-76.10000113.8G33 V86 F87G33-S36 PolarHBondContact O-OG 3.39Å; S36-V86 CarbonylContact O-C 3.58Å; S36-V86 WeakPolarHBondContact O-CA 3.38Å; S36-F87 WeakPolarHBondContact CB-O 3.35Å; S36-F87 WeakPolarHBondContact O-CD2 3.29Å; S36-F87 PolarHBondContact O-N 2.76Å; S36-F87 PolarHBondContact OG-O 2.79Å
37V81.7Confident78.3Confident0 Ų042.6 Ų42.60%025%0.248CC..EExtended strand (participates in β ladder)trans-94.6126.6-179.3179.60000109.5E29 F32 V84 V86 L113E29-V37 VanDerWaalsContact CA-O 3.3Å; E29-V37 WeakPolarHBondContact CA-O 3.25Å; E29-V37 WeakPolarHBondContact CB-O 3.34Å; F32-V37 HydrophobicContact CB-CB 4.44Å; F32-V37 HydrophobicContact CB-CG2 3.93Å; F32-V37 WeakPolarHBondContact O-CG2 3.43Å; V37-V84 HydrophobicContact CG1-CB 4.18Å; V37-V84 HydrophobicContact CG1-CG1 4.41Å; V37-V86 HydrophobicContact CG2-CG1 4.11Å; V37-V86 HydrophobicContact CG2-CG2 4.19Å; V37-L113 HydrophobicContact CG1-CD2 4.17Å
38R83.7Confident78Confident86 Ų8649.7 Ų49.733%0.32528%0.278SS..EExtended strand (participates in β ladder)trans-120.7134.6175.4-64.7-62.5-174.8168.11.4110.7E29 K40 V84 C85 F87E29-R38 IonicContact OE2-CZ 3.94Å; E29-R38 IonicContact OE2-NH1 2.91Å; E29-R38 PolarHBondContact OE2-NH1 3.11Å; R38-K40 PolarHBondContact O-N 3.46Å; R38-V84 WeakPolarHBondContact O-CA 3.48Å; R38-C85 PolarHBondContact N-O 3.48Å; R38-C85 PolarHBondContact O-N 3.02Å; R38-F87 HydrophobicContact CB-CE2 4.09Å; R38-F87 HydrophobicContact CG-CD2 4.05Å; R38-F87 HydrophobicContact CG-CE2 3.81Å
39Y85.2Confident77.5Confident47 Ų4750.3 Ų50.318%0.18429%0.285CS..EExtended strand (participates in β ladder)trans-67.5131173.7173.8-95.1000110.6F6 L28 E29 L42 L82 W124F6-Y39 HydrophobicContact CD2-CD1 4.21Å; F6-Y39 HydrophobicContact CD2-CD2 4.3Å; F6-Y39 AromaticContact CD2-CG 3.87Å; F6-Y39 HydrophobicContact CD2-CG 3.87Å; F6-Y39 AromaticContact CE2-CD1 3.54Å; F6-Y39 HydrophobicContact CE2-CD1 3.54Å; F6-Y39 HydrophobicContact CE2-CD2 4.37Å; F6-Y39 HydrophobicContact CE2-CE1 4.08Å; F6-Y39 AromaticContact CE2-CG 3.69Å; F6-Y39 HydrophobicContact CE2-CG 3.69Å; F6-Y39 AromaticContact CZ-CD1 3.88Å; F6-Y39 HydrophobicContact CZ-CD1 3.88Å; F6-Y39 AromaticContact CZ-CE1 3.93Å; F6-Y39 HydrophobicContact CZ-CE1 3.93Å; F6-Y39 HydrophobicContact CZ-CG 4.29Å; L28-Y39 HydrophobicContact CD2-CD2 4.13Å; E29-Y39 PolarHBondContact OE1-N 2.75Å; Y39-L42 HydrophobicContact CE2-CB 3.87Å; Y39-L42 WeakPolarHBondContact OH-CB 3.33Å; Y39-L42 PolarHBondContact OH-N 2.85Å; Y39-L82 HydrophobicContact CD2-CD1 4.04Å; Y39-L82 HydrophobicContact CE2-CD1 3.93Å; Y39-W124 AromaticContact CD2-CH2 3.9Å; Y39-W124 HydrophobicContact CD2-CH2 3.9Å; Y39-W124 HydrophobicContact CD2-CZ2 4.33Å; Y39-W124 AromaticContact CE2-CH2 3.91Å; Y39-W124 HydrophobicContact CE2-CH2 3.91Å; Y39-W124 AromaticContact CE2-CZ2 3.99Å; Y39-W124 HydrophobicContact CE2-CZ2 3.99Å
40K86.4Confident77.5Confident107 Ų10755.9 Ų55.947%0.46531%0.308SS..EExtended strand (participates in β ladder)trans-104.8-59.5173.2-177.4-178.3-178.6171.20111.4R38 S83 L155R38-K40 PolarHBondContact O-N 3.46Å; K40-S83 WeakPolarHBondContact CB-O 3.35Å; K40-S83 PolarHBondContact N-O 3.33Å; K40-L155 HydrophobicContact CD-CD1 3.5Å
41S87.1Confident77.4Confident27 Ų2755.9 Ų55.919%0.18931%0.306CS..EExtended strand (participates in β ladder)trans-159.1156.5-179.163.10000112.1S83S41-S83 PolarHBondContact N-O 3.05Å; S41-S83 VanDerWaalsContact N-O 3.15Å; S41-S83 PolarHBondContact O-N 3.33Å
42L87.3Confident77.2Confident10 Ų1058 Ų585%0.05231%0.311CS..EExtended strand (participates in β ladder)trans-132.288.9169.3-177.264.3000107.7Y39 L45 T81 L82 W124 F135 L160Y39-L42 HydrophobicContact CE2-CB 3.87Å; Y39-L42 WeakPolarHBondContact OH-CB 3.33Å; Y39-L42 PolarHBondContact OH-N 2.85Å; L42-L45 HydrophobicContact CD2-CB 3.99Å; L42-L45 HydrophobicContact CD2-CD1 3.83Å; L42-L45 HydrophobicContact CD2-CD2 4.14Å; L42-L45 HydrophobicContact CD2-CG 4.18Å; L42-L45 HydrophobicContact CG-CB 4.05Å; L42-T81 WeakPolarHBondContact CA-O 3.38Å; L42-L82 HydrophobicContact CB-CD1 4.35Å; L42-L82 HydrophobicContact CD1-CB 3.69Å; L42-L82 HydrophobicContact CD1-CD1 4.03Å; L42-L82 HydrophobicContact CD1-CG 4.44Å; L42-W124 HydrophobicContact CD2-CD2 4.04Å; L42-W124 HydrophobicContact CD2-CG 4.32Å; L42-W124 HydrophobicContact CD2-CZ2 4.12Å; L42-F135 HydrophobicContact CD2-CE2 3.95Å; L42-F135 HydrophobicContact CD2-CZ 4Å; L42-L160 HydrophobicContact CD1-CD1 4.03Å
43D87.3Confident77.1Confident96 Ų9658.4 Ų58.451%0.51332%0.316SS..EExtended strand (participates in β ladder)trans-73141.2177.9-64.9-49.7000109.2A80 T81D43-A80 CarbonylContact O-C 3.59Å; D43-A80 WeakPolarHBondContact O-CA 3.44Å; D43-A80 WeakPolarHBondContact O-CB 3.07Å; D43-T81 PolarHBondContact N-O 2.99Å; D43-T81 PolarHBondContact O-N 3.23Å
44G80.3Confident77.7Confident17 Ų1758.8 Ų58.818%0.17531%0.309CS..THydrogen-bonded Turntrans88-7.7-177.700000115.9N46 S47G44-N46 VanDerWaalsContact C-N 3.27Å; G44-N46 PolarHBondContact O-N 3.1Å; G44-S47 WeakPolarHBondContact CA-OG 3.46Å; G44-S47 WeakPolarHBondContact O-CB 3.29Å; G44-S47 PolarHBondContact O-N 3.17Å
45L80.5Confident78.2Confident1 Ų163 Ų631%0.00531%0.311CS..THydrogen-bonded Turntrans-58.9-38178.2-177.966.8000113.2L42 A133 F135 S167L42-L45 HydrophobicContact CD2-CB 3.99Å; L42-L45 HydrophobicContact CD2-CD1 3.83Å; L42-L45 HydrophobicContact CD2-CD2 4.14Å; L42-L45 HydrophobicContact CD2-CG 4.18Å; L42-L45 HydrophobicContact CG-CB 4.05Å; L45-A133 HydrophobicContact CD1-CB 3.86Å; L45-F135 HydrophobicContact CD1-CE2 4.28Å; L45-F135 HydrophobicContact CD1-CZ 3.86Å; L45-S167 PolarHBondContact O-OG 2.78Å; L45-S167 VanDerWaalsContact O-OG 3.1Å
46N78Confident78.7Confident108 Ų10866.2 Ų66.258%0.57833%0.329SS*.THydrogen-bonded Turntrans-93-2.9178.8-66-26.6000112.8G44 K48G44-N46 VanDerWaalsContact C-N 3.27Å; G44-N46 PolarHBondContact O-N 3.1Å; N46-K48 PolarHBondContact O-N 3.34Å
47S77.9Confident78.9Confident59 Ų5968.7 Ų68.741%0.41334%0.339SS..PPolyproline II helixtrans-71.6127.6179.2-65.50000109.3G44G44-S47 WeakPolarHBondContact CA-OG 3.46Å; G44-S47 WeakPolarHBondContact O-CB 3.29Å; G44-S47 PolarHBondContact O-N 3.17Å
48K77.4Confident78.7Confident155 Ų15573.3 Ų73.367%0.67437%0.371SS*.PPolyproline II helixtrans-95.7127.2170.3-65.8-173.5179.7-175.50109N46 G165N46-K48 PolarHBondContact O-N 3.34Å; K48-G165 CarbonylContact C-O 3.52Å; K48-G165 VanDerWaalsContact CA-O 3.29Å; K48-G165 WeakPolarHBondContact CA-O 3.33Å
49G71.7Confident78.5Confident13 Ų1373.5 Ų73.513%0.13437%0.373CS..PPolyproline II helixtrans-64.7171.1174.600000112.1H75 E76 T78 G165G49-H75 PolarHBondContact O-CD2 3.22Å; G49-E76 WeakPolarHBondContact CA-O 3.36Å; G49-T78 VanDerWaalsContact N-CG2 3.3Å; G49-G165 PolarHBondContact N-O 3.01Å
50K77.7Confident78.3Confident158 Ų15877.7 Ų77.769%0.68741%0.406SS*.PPolyproline II helixtrans-64.4139.6174.2-67.5-177.1179.4179.40110.1K52 H75 E76K50-K52 PolarHBondContact O-N 2.87Å; K50-H75 CarbonylContact O-C 3.49Å; K50-H75 VanDerWaalsContact O-CA 3.29Å; K50-H75 WeakPolarHBondContact O-CA 3.45Å; K50-E76 HydrophobicContact CB-CG 4.48Å; K50-E76 PolarHBondContact O-N 2.92Å
51Q75.3Confident78Confident71 Ų7179.8 Ų79.833%0.33242%0.417SS..BIsolated β-bridgetrans-74.2117177.7-168174.9-9.600109.8G53 V54 A73 R74Q51-G53 VanDerWaalsContact C-N 3.28Å; Q51-G53 PolarHBondContact O-N 2.9Å; Q51-V54 HydrophobicContact CB-CG2 4.02Å; Q51-V54 HydrophobicContact CG-CG2 3.76Å; Q51-A73 HydrophobicContact CG-CB 4.31Å; Q51-R74 CarbonylContact C-O 3.52Å; Q51-R74 WeakPolarHBondContact CA-O 3.36Å
52K72.6Confident77.4Confident141 Ų14181.2 Ų81.261%0.61343%0.427SS*.THydrogen-bonded Turntrans-70.9-23.3-179.7-70.5-172.2173.1-1790113.4K50 V54 R74 E76K50-K52 PolarHBondContact O-N 2.87Å; K52-V54 VanDerWaalsContact C-N 3.34Å; K52-R74 PolarHBondContact N-O 3.13Å; K52-E76 HydrophobicContact CD-CG 4.19Å; K52-E76 HydrophobicContact CG-CG 3.75Å
53G67.6Low77Confident14 Ų1489.4 Ų89.414%0.14447%0.471CS..THydrogen-bonded Turntrans-899.4-176.700000114.8Q51 D70Q51-G53 VanDerWaalsContact C-N 3.28Å; Q51-G53 PolarHBondContact O-N 2.9Å; G53-D70 PolarHBondContact O-N 3.28Å
54V71.5Confident76.6Confident57 Ų5787.9 Ų87.935%0.34547%0.472SS..EExtended strand (participates in β ladder)trans-108.9120.5178.9179.70000109Q51 K52 T56 V67 F68 V69Q51-V54 HydrophobicContact CB-CG2 4.02Å; Q51-V54 HydrophobicContact CG-CG2 3.76Å; K52-V54 VanDerWaalsContact C-N 3.34Å; V54-T56 HydrophobicContact CG1-CG2 4.34Å; V54-V67 HydrophobicContact CG1-CG1 4.32Å; V54-F68 WeakPolarHBondContact CA-O 3.29Å; V54-V69 HydrophobicContact CG2-CG1 4.25Å; V54-V69 HydrophobicContact CG2-CG2 4.49Å
55Y72.7Confident76.5Confident136 Ų13692.3 Ų92.353%0.53349%0.491SS..EExtended strand (participates in β ladder)trans-123.8133.5174.8179.8-113.8000109.1E57 V67 F68Y55-E57 HydrophobicContact CD1-CG 4.14Å; Y55-E57 HydrophobicContact CE1-CG 3.25Å; Y55-E57 VanDerWaalsContact CE1-OE1 3.31Å; Y55-E57 WeakPolarHBondContact CE1-OE1 3.47Å; Y55-E57 WeakPolarHBondContact OH-CG 3.29Å; Y55-E57 PolarHBondContact OH-OE1 3.14Å; Y55-V67 WeakPolarHBondContact O-CA 3.46Å; Y55-F68 PolarHBondContact N-O 3.23Å; Y55-F68 PolarHBondContact O-N 2.86Å
56T77.6Confident76.2Confident76 Ų76100 Ų10047%0.46652%0.52SS..EExtended strand (participates in β ladder)trans-124.3124.1-179.858.70000109.6V54 R66 V67V54-T56 HydrophobicContact CG1-CG2 4.34Å; T56-R66 CarbonylContact C-O 3.54Å; T56-R66 VanDerWaalsContact CA-O 3.29Å; T56-R66 WeakPolarHBondContact CA-O 3.24Å; T56-V67 HydrophobicContact CG2-CG1 4.19Å; T56-V67 HydrophobicContact CG2-CG2 4.15Å
57E77.2Confident76.3Confident64 Ų6499 Ų9930%0.29952%0.517SS..EExtended strand (participates in β ladder)trans-105.9131.8170-72.8176.3160.700109.6Y55 Y59 R66Y55-E57 HydrophobicContact CD1-CG 4.14Å; Y55-E57 HydrophobicContact CE1-CG 3.25Å; Y55-E57 VanDerWaalsContact CE1-OE1 3.31Å; Y55-E57 WeakPolarHBondContact CE1-OE1 3.47Å; Y55-E57 WeakPolarHBondContact OH-CG 3.29Å; Y55-E57 PolarHBondContact OH-OE1 3.14Å; E57-Y59 HydrophobicContact CB-CE2 3.91Å; E57-Y59 PolarHBondContact OE2-OH 3.32Å; E57-R66 HydrophobicContact CB-CB 4.26Å; E57-R66 PolarHBondContact N-O 3.16Å; E57-R66 PolarHBondContact O-N 3.14Å
58S78.7Confident76.1Confident96 Ų96102.1 Ų102.167%0.67152%0.524SS*.  trans-114.2133.3170.863.40000109.3
59Y78.6Confident76.2Confident91 Ų9198.8 Ų98.836%0.35752%0.516SS..  trans-115.8137.9175.2-71-85.7000109.2E57 E61 S62E57-Y59 HydrophobicContact CB-CE2 3.91Å; E57-Y59 PolarHBondContact OE2-OH 3.32Å; Y59-E61 WeakPolarHBondContact CD1-OE1 3.29Å; Y59-E61 PolarHBondContact O-N 3.01Å; Y59-E61 VanDerWaalsContact O-N 3.15Å; Y59-S62 PolarHBondContact O-N 3.02Å; Y59-S62 VanDerWaalsContact O-O 3.09Å
60P81.4Confident76.4Confident134 Ų134100.8 Ų100.887%0.8752%0.524SS*.THydrogen-bonded Turntrans-55.9-31.2178.6-24.332.8000113.6S62P60-S62 VanDerWaalsContact C-N 3.34Å
61E80.6Confident76.2Confident152 Ų15299 Ų9971%0.7153%0.528SS*.THydrogen-bonded Turntrans-83.3-1.8-179.864.2-87.6-168.700114.9Y59Y59-E61 WeakPolarHBondContact CD1-OE1 3.29Å; Y59-E61 PolarHBondContact O-N 3.01Å; Y59-E61 VanDerWaalsContact O-N 3.15Å
62S73.8Confident76Confident56 Ų56100.7 Ų100.739%0.39254%0.539SS..  trans-129.2122.8-177.3-166.40000111.7Y59 P60 A64Y59-S62 PolarHBondContact O-N 3.02Å; Y59-S62 VanDerWaalsContact O-O 3.09Å; P60-S62 VanDerWaalsContact C-N 3.34Å; S62-A64 PolarHBondContact O-N 3.44Å; S62-A64 PolarHBondContact OG-O 3.44Å
63D77.9Confident75.8Confident183 Ų18396.3 Ų96.398%0.97953%0.529SS*.SBendtrans-67.8-14.8174.1-66.8-47.8000113
64A79Confident76.2Confident64 Ų64104.5 Ų104.553%0.52956%0.556SS.*SBendtrans-105.8130.9-176.400000111.9S62S62-A64 PolarHBondContact O-N 3.44Å; S62-A64 PolarHBondContact OG-O 3.44Å
65L78.9Confident76.4Confident110 Ų110103.4 Ų103.458%0.57655%0.547SS*.  trans-68.5129.7169.7-79.2130.7000110.1V67L65-V67 HydrophobicContact CB-CG2 4.2Å
66R74.2Confident76.8Confident163 Ų163101 Ų10162%0.61554%0.541SS*.EExtended strand (participates in β ladder)trans-78.8123.5163.9-73.8-173.2176.41790108T56 E57T56-R66 CarbonylContact C-O 3.54Å; T56-R66 VanDerWaalsContact CA-O 3.29Å; T56-R66 WeakPolarHBondContact CA-O 3.24Å; E57-R66 HydrophobicContact CB-CB 4.26Å; E57-R66 PolarHBondContact N-O 3.16Å; E57-R66 PolarHBondContact O-N 3.14Å
67V79.7Confident77.1Confident85 Ų85100.7 Ų100.752%0.51554%0.542SS..EExtended strand (participates in β ladder)trans-119.4123.3-177.3-171.30000109V54 Y55 T56 L65 V69V54-V67 HydrophobicContact CG1-CG1 4.32Å; Y55-V67 WeakPolarHBondContact O-CA 3.46Å; T56-V67 HydrophobicContact CG2-CG1 4.19Å; T56-V67 HydrophobicContact CG2-CG2 4.15Å; L65-V67 HydrophobicContact CB-CG2 4.2Å; V67-V69 HydrophobicContact CG1-CG2 3.62Å
68F74.7Confident77.5Confident126 Ų12698.5 Ų98.555%0.55353%0.533SS*.EExtended strand (participates in β ladder)trans-99.5128.5162.5178.9-95.7000108.6V54 Y55 D70V54-F68 WeakPolarHBondContact CA-O 3.29Å; Y55-F68 PolarHBondContact N-O 3.23Å; Y55-F68 PolarHBondContact O-N 2.86Å; F68-D70 HydrophobicContact CE1-CB 4.28Å
69V78.9Confident78Confident84 Ų8499.7 Ų99.751%0.50953%0.531SS..EExtended strand (participates in β ladder)trans-124.8114.7176.1-174.90000108.1V54 V67V54-V69 HydrophobicContact CG2-CG1 4.25Å; V54-V69 HydrophobicContact CG2-CG2 4.49Å; V67-V69 HydrophobicContact CG1-CG2 3.62Å
70D76Confident78.4Confident56 Ų5695.5 Ų95.530%0.29952%0.516SS..  trans-64.5130.3169.9-165.6-61000109.1G53 F68 N72G53-D70 PolarHBondContact O-N 3.28Å; F68-D70 HydrophobicContact CE1-CB 4.28Å; D70-N72 PolarHBondContact O-N 2.82Å; D70-N72 WeakPolarHBondContact OD1-CA 3.42Å; D70-N72 WeakPolarHBondContact OD1-CB 3.5Å; D70-N72 PolarHBondContact OD1-N 2.81Å
71P72.4Confident78.8Confident119 Ų11991.5 Ų91.577%0.77349%0.489SS*.SBendtrans-61.1-23.8178.425.2-34.7000112.8
72N71.9Confident79.2Confident108 Ų10884.5 Ų84.558%0.57846%0.456SS*.SBendtrans-97.594.1176.1-59.8-59.6000110.2D70 R74D70-N72 PolarHBondContact O-N 2.82Å; D70-N72 WeakPolarHBondContact OD1-CA 3.42Å; D70-N72 WeakPolarHBondContact OD1-CB 3.5Å; D70-N72 PolarHBondContact OD1-N 2.81Å; N72-R74 PolarHBondContact O-N 2.96Å
73A67.7Low80Confident49 Ų4982.4 Ų82.441%0.40544%0.442SS..  trans-62.8102176.500000111.6Q51Q51-A73 HydrophobicContact CG-CB 4.31Å
74R75.9Confident80.5Confident186 Ų18673.8 Ų73.870%0.70240%0.396SS*.  trans-99.6134.9169.1-65.5-179-178.5179.3-0.3109.3Q51 K52 N72Q51-R74 CarbonylContact C-O 3.52Å; Q51-R74 WeakPolarHBondContact CA-O 3.36Å; K52-R74 PolarHBondContact N-O 3.13Å; N72-R74 PolarHBondContact O-N 2.96Å
75H77.4Confident80.8Confident33 Ų3371.5 Ų71.515%0.15338%0.376CS..BIsolated β-bridgetrans-105.4149.4179.8-5797.5000111.1G49 K50 Q166G49-H75 PolarHBondContact O-CD2 3.22Å; K50-H75 CarbonylContact O-C 3.49Å; K50-H75 VanDerWaalsContact O-CA 3.29Å; K50-H75 WeakPolarHBondContact O-CA 3.45Å; H75-Q166 PolarHBondContact CE1-OE1 3.24Å; H75-Q166 PolarHBondContact ND1-NE2 2.91Å; H75-Q166 PolarHBondContact ND1-OE1 3.02Å
76E80.9Confident81.1Confident87 Ų8766.3 Ų66.341%0.40735%0.348SS..  trans-63.1145.8163.3-76.6178.4174.600110.7G49 K50 K52 T78 G165G49-E76 WeakPolarHBondContact CA-O 3.36Å; K50-E76 HydrophobicContact CB-CG 4.48Å; K50-E76 PolarHBondContact O-N 2.92Å; K52-E76 HydrophobicContact CD-CG 4.19Å; K52-E76 HydrophobicContact CG-CG 3.75Å; E76-T78 PolarHBondContact O-N 3.33Å; E76-G165 WeakPolarHBondContact O-CA 3.35Å
77S82.8Confident81.5Confident69 Ų6959.7 Ų59.748%0.48332%0.324SS..  trans-57.6139.4173.151.90000110.6N162S77-N162 VanDerWaalsContact CA-O 3.24Å; S77-N162 WeakPolarHBondContact CA-O 3.46Å; S77-N162 VanDerWaalsContact CB-O 3.29Å; S77-N162 WeakPolarHBondContact CB-O 3.09Å
78T86.2Confident81.2Confident18 Ų1856 Ų5611%0.1130%0.303CS..EExtended strand (participates in β ladder)trans-110.9152.7179.1520000110.8G49 E76 V161 N162G49-T78 VanDerWaalsContact N-CG2 3.3Å; E76-T78 PolarHBondContact O-N 3.33Å; T78-V161 CarbonylContact O-C 3.53Å; T78-V161 WeakPolarHBondContact O-CA 3.08Å; T78-N162 PolarHBondContact N-O 3.31Å; T78-N162 PolarHBondContact O-N 2.65Å; T78-N162 WeakPolarHBondContact OG1-CB 3.44Å
79N88.4Confident80.9Confident121 Ų12151.7 Ų51.765%0.64728%0.283SS*.EExtended strand (participates in β ladder)trans-85139.8171.5-60.4-25.4000109.2L160N79-L160 CarbonylContact C-O 3.55Å; N79-L160 WeakPolarHBondContact CA-O 3.4Å
80A88.2Confident80.1Confident3 Ų350.8 Ų50.83%0.02528%0.275CS..EExtended strand (participates in β ladder)trans-131.9152.6175.700000109.3D43 F135 L160D43-A80 CarbonylContact O-C 3.59Å; D43-A80 WeakPolarHBondContact O-CA 3.44Å; D43-A80 WeakPolarHBondContact O-CB 3.07Å; A80-F135 HydrophobicContact CB-CD1 4.31Å; A80-F135 HydrophobicContact CB-CE1 3.68Å; A80-F135 HydrophobicContact CB-CZ 4.42Å; A80-L160 HydrophobicContact CB-CB 4.23Å; A80-L160 PolarHBondContact N-O 3.37Å; A80-L160 PolarHBondContact O-N 3.16Å
81T89Confident79.2Confident50 Ų5051.6 Ų51.631%0.30728%0.282SS..EExtended strand (participates in β ladder)trans-127.6113.8177.3-55.30000108.6L42 D43 V158L42-T81 WeakPolarHBondContact CA-O 3.38Å; D43-T81 PolarHBondContact N-O 2.99Å; D43-T81 PolarHBondContact O-N 3.23Å; T81-V158 CarbonylContact C-O 3.59Å; T81-V158 WeakPolarHBondContact CA-O 3.27Å
82L89.3Confident78.4Confident5 Ų553.9 Ų53.93%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-85.5122.3171.3176.662.8000108.3Y39 L42 V84 W124 S157 V158 L160Y39-L82 HydrophobicContact CD2-CD1 4.04Å; Y39-L82 HydrophobicContact CE2-CD1 3.93Å; L42-L82 HydrophobicContact CB-CD1 4.35Å; L42-L82 HydrophobicContact CD1-CB 3.69Å; L42-L82 HydrophobicContact CD1-CD1 4.03Å; L42-L82 HydrophobicContact CD1-CG 4.44Å; L82-V84 HydrophobicContact CD1-CG1 4.22Å; L82-V84 HydrophobicContact CD2-CG1 4.41Å; L82-V84 HydrophobicContact CG-CG1 4.12Å; L82-W124 HydrophobicContact CD1-CH2 4.14Å; L82-W124 HydrophobicContact CD1-CZ3 4.17Å; L82-W124 HydrophobicContact CD2-CZ3 4.39Å; L82-S157 CarbonylContact O-C 3.47Å; L82-S157 VanDerWaalsContact O-CA 3.23Å; L82-S157 WeakPolarHBondContact O-CA 3.46Å; L82-V158 HydrophobicContact CB-CB 4.45Å; L82-V158 PolarHBondContact N-O 2.87Å; L82-V158 PolarHBondContact O-N 3.49Å; L82-L160 HydrophobicContact CB-CD1 3.74Å; L82-L160 HydrophobicContact CB-CG 4.5Å
83S90Very high77.5Confident12 Ų1249.9 Ų49.98%0.08427%0.267CS..EExtended strand (participates in β ladder)trans-112.8130.6171.8-58.90000109.8K40 S41 C156 S157K40-S83 WeakPolarHBondContact CB-O 3.35Å; K40-S83 PolarHBondContact N-O 3.33Å; S41-S83 PolarHBondContact N-O 3.05Å; S41-S83 VanDerWaalsContact N-O 3.15Å; S41-S83 PolarHBondContact O-N 3.33Å; S83-C156 WeakPolarHBondContact CA-O 3.3Å; S83-S157 PolarHBondContact OG-OG 3.15Å
84V88.8Confident76.8Confident2 Ų254.6 Ų54.61%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-128.5146.5178-63.40000110.1L28 V37 R38 L82 V86 W110 L113 C156L28-V84 HydrophobicContact CD2-CG1 4.18Å; V37-V84 HydrophobicContact CG1-CB 4.18Å; V37-V84 HydrophobicContact CG1-CG1 4.41Å; R38-V84 WeakPolarHBondContact O-CA 3.48Å; L82-V84 HydrophobicContact CD1-CG1 4.22Å; L82-V84 HydrophobicContact CD2-CG1 4.41Å; L82-V84 HydrophobicContact CG-CG1 4.12Å; V84-V86 HydrophobicContact CG2-CG2 4.23Å; V84-W110 HydrophobicContact CG2-CE3 4.09Å; V84-W110 HydrophobicContact CG2-CZ3 3.58Å; V84-L113 HydrophobicContact CG2-CD2 4.17Å; V84-C156 HydrophobicContact CG2-CB 4.07Å; V84-C156 PolarHBondContact N-O 2.85Å; V84-C156 PolarHBondContact O-N 2.85Å
85C86.3Confident75.7Confident16 Ų1650.3 Ų50.311%0.10829%0.286CS..EExtended strand (participates in β ladder)trans-102.1125.2170.8-63.20000108.3R38 F87 Y153 L154R38-C85 PolarHBondContact N-O 3.48Å; R38-C85 PolarHBondContact O-N 3.02Å; C85-F87 HydrophobicContact CB-CE2 3.88Å; C85-F87 HydrophobicContact CB-CZ 4.24Å; C85-Y153 HydrophobicContact CB-CD2 3.86Å; C85-Y153 HydrophobicContact CB-CE2 4.2Å; C85-L154 CarbonylContact C-O 3.58Å; C85-L154 WeakPolarHBondContact CA-O 3.47Å
86V84.9Confident74.9Confident0 Ų058.3 Ų58.30%032%0.323CS..EExtended strand (participates in β ladder)trans-112122.7179.3-169.20000109.3S36 V37 V84 A106 A109 W110 L154S36-V86 CarbonylContact O-C 3.58Å; S36-V86 WeakPolarHBondContact O-CA 3.38Å; V37-V86 HydrophobicContact CG2-CG1 4.11Å; V37-V86 HydrophobicContact CG2-CG2 4.19Å; V84-V86 HydrophobicContact CG2-CG2 4.23Å; V86-A106 HydrophobicContact CG1-CB 4.11Å; V86-A106 WeakPolarHBondContact CG1-O 3.15Å; V86-A109 HydrophobicContact CG1-CB 3.78Å; V86-W110 HydrophobicContact CG2-CB 4.38Å; V86-W110 HydrophobicContact CG2-CE3 4.29Å; V86-L154 HydrophobicContact CB-CB 4.36Å; V86-L154 PolarHBondContact N-O 2.82Å; V86-L154 PolarHBondContact O-N 3.19Å
87F82.5Confident74Confident24 Ų2457.3 Ų57.311%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-102.8142.1179.8-63.1-85.9000110.2S36 R38 C85 Y89 V91 I148 I151 Y153S36-F87 WeakPolarHBondContact CB-O 3.35Å; S36-F87 WeakPolarHBondContact O-CD2 3.29Å; S36-F87 PolarHBondContact O-N 2.76Å; S36-F87 PolarHBondContact OG-O 2.79Å; R38-F87 HydrophobicContact CB-CE2 4.09Å; R38-F87 HydrophobicContact CG-CD2 4.05Å; R38-F87 HydrophobicContact CG-CE2 3.81Å; C85-F87 HydrophobicContact CB-CE2 3.88Å; C85-F87 HydrophobicContact CB-CZ 4.24Å; F87-Y89 PolarHBondContact O-N 3.41Å; F87-V91 HydrophobicContact CB-CG2 4.35Å; F87-V91 HydrophobicContact CD2-CG2 4.13Å; F87-V91 HydrophobicContact CG-CG2 4.1Å; F87-I148 HydrophobicContact CE1-CG2 4.09Å; F87-I151 HydrophobicContact CD1-CG2 4.03Å; F87-I151 HydrophobicContact CE1-CG2 4.26Å; F87-Y153 VanDerWaalsContact CE1-CB 3.48Å; F87-Y153 HydrophobicContact CE1-CD1 4.44Å; F87-Y153 HydrophobicContact CE1-CG 4.06Å; F87-Y153 HydrophobicContact CZ-CG 4.37Å
88G72.5Confident73.5Confident7 Ų756.9 Ų56.97%0.07232%0.317CS..SBendtrans-75.5-1.2-178.600000115.7Q102 A105G88-Q102 WeakPolarHBondContact CA-O 3.18Å; G88-A105 VanDerWaalsContact O-CB 3.31Å; G88-A105 WeakPolarHBondContact O-CB 3.48Å
89Y69.5Low72.9Confident36 Ų3660.1 Ų60.114%0.14134%0.337CS..SBendtrans-149160.6-177.963.1-79.9000108.5F87 V91 Q102 I151F87-Y89 PolarHBondContact O-N 3.41Å; Y89-V91 PolarHBondContact O-N 2.77Å; Y89-Q102 HydrophobicContact CD1-CG 4.27Å; Y89-I151 HydrophobicContact CE1-CG2 3.64Å; Y89-I151 WeakPolarHBondContact OH-CD1 2.93Å; Y89-I151 WeakPolarHBondContact OH-CG1 3.32Å; Y89-I151 WeakPolarHBondContact OH-CG2 3.29Å
90D61.6Low72.3Confident65 Ų6558.7 Ų58.735%0.34833%0.332SS..  trans-66.6120.2169.4-172.3-16.3000107.6E92 G93D90-E92 PolarHBondContact O-N 3.48Å; D90-E92 PolarHBondContact OD1-N 2.76Å; D90-E92 VanDerWaalsContact OD1-N 3.11Å; D90-G93 WeakPolarHBondContact O-CA 3.17Å; D90-G93 PolarHBondContact O-N 3.27Å
91V56.4Low71.9Confident73 Ų7363.4 Ų63.444%0.44235%0.354SS..THydrogen-bonded Turntrans-56.2-22.5-177.8-171.60000111.4F87 Y89F87-V91 HydrophobicContact CB-CG2 4.35Å; F87-V91 HydrophobicContact CD2-CG2 4.13Å; F87-V91 HydrophobicContact CG-CG2 4.1Å; Y89-V91 PolarHBondContact O-N 2.77Å
92E55.7Low71.2Confident167 Ų16762.2 Ų62.278%0.7835%0.345SS*.THydrogen-bonded Turntrans-85.3-23.3174.2-57.5-163.2145.700113.7D90D90-E92 PolarHBondContact O-N 3.48Å; D90-E92 PolarHBondContact OD1-N 2.76Å; D90-E92 VanDerWaalsContact OD1-N 3.11Å
93G52.7Low70.7Confident25 Ų2564.1 Ų64.126%0.25836%0.355SS..  trans-90.3108.6-176.500000113.3D90 T95D90-G93 WeakPolarHBondContact O-CA 3.17Å; D90-G93 PolarHBondContact O-N 3.27Å; G93-T95 PolarHBondContact O-N 2.81Å
94T53.1Low70.3Confident148 Ų14869.9 Ų69.991%0.90838%0.378SS*.  trans-66.744.3177.531.80000115.3
95T54.3Low69.9Low95 Ų9571.7 Ų71.758%0.58339%0.393SS*.  trans-93.9105.3174.212.40000110.1G93 L97G93-T95 PolarHBondContact O-N 2.81Å; T95-L97 PolarHBondContact O-N 3.17Å
96E59.2Low69.6Low201 Ų20171 Ų7194%0.93939%0.389SS*.  trans-65.980.3171.1-69-175.7157.200110.2
97L63.2Low69.6Low67 Ų6775.3 Ų75.335%0.35141%0.409SS..  trans-78149.9165.2-72170000109.4T95 E101 Q102T95-L97 PolarHBondContact O-N 3.17Å; L97-E101 HydrophobicContact CB-CB 4.29Å; L97-E101 HydrophobicContact CD2-CB 4.46Å; L97-Q102 HydrophobicContact CB-CG 3.73Å; L97-Q102 PolarHBondContact O-NE2 3.49Å
98S71.3Confident69.7Low59 Ų5981.9 Ų81.941%0.41344%0.438SS..  trans-62.3150.3171.368.70000110.6T100 E101 Q102S98-T100 PolarHBondContact O-N 2.63Å; S98-T100 VanDerWaalsContact O-N 3.11Å; S98-E101 WeakPolarHBondContact CB-OE2 3.36Å; S98-E101 PolarHBondContact N-OE2 3.07Å; S98-E101 PolarHBondContact O-N 2.77Å; S98-E101 VanDerWaalsContact OG-CD 3.3Å; S98-E101 VanDerWaalsContact OG-CG 3.29Å; S98-E101 WeakPolarHBondContact OG-CG 3.49Å; S98-E101 PolarHBondContact OG-N 2.95Å; S98-E101 PolarHBondContact OG-OE2 2.63Å; S98-Q102 WeakPolarHBondContact O-CG 3.37Å; S98-Q102 PolarHBondContact O-N 2.82Å
99V73.2Confident70.3Confident86 Ų8682.1 Ų82.152%0.52144%0.439SS..Hα-helixtrans-50.4-41-179.9171.20000111.8E101 Q102 I103 P152V99-E101 PolarHBondContact O-N 2.51Å; V99-Q102 PolarHBondContact O-N 2.79Å; V99-I103 HydrophobicContact CG1-CD1 3.93Å; V99-I103 WeakPolarHBondContact O-CG1 3.08Å; V99-I103 PolarHBondContact O-N 2.84Å; V99-P152 HydrophobicContact CG1-CG 4.21Å
100T77.7Confident71Confident91 Ų9181 Ų8156%0.55844%0.435SS*.Hα-helixtrans-65.1-38.2179.1-49.40000112.8S98 K104S98-T100 PolarHBondContact O-N 2.63Å; S98-T100 VanDerWaalsContact O-N 3.11Å; T100-K104 WeakPolarHBondContact O-CG 3.38Å; T100-K104 PolarHBondContact O-N 3.05Å
101E78.6Confident72.2Confident103 Ų10382.8 Ų82.848%0.48144%0.444SS..Hα-helixtrans-72.9-36.8177.4-71.8168.5133.400111.6L97 S98 V99 K104 A105L97-E101 HydrophobicContact CB-CB 4.29Å; L97-E101 HydrophobicContact CD2-CB 4.46Å; S98-E101 WeakPolarHBondContact CB-OE2 3.36Å; S98-E101 PolarHBondContact N-OE2 3.07Å; S98-E101 PolarHBondContact O-N 2.77Å; S98-E101 VanDerWaalsContact OG-CD 3.3Å; S98-E101 VanDerWaalsContact OG-CG 3.29Å; S98-E101 WeakPolarHBondContact OG-CG 3.49Å; S98-E101 PolarHBondContact OG-N 2.95Å; S98-E101 PolarHBondContact OG-OE2 2.63Å; V99-E101 PolarHBondContact O-N 2.51Å; E101-K104 PolarHBondContact O-N 2.83Å; E101-A105 WeakPolarHBondContact O-CB 3.42Å; E101-A105 PolarHBondContact O-N 3.09Å
102Q74.8Confident73.5Confident24 Ų2482.8 Ų82.811%0.11245%0.447CS..Hα-helixtrans-60.8-46.3174.2-65.4-17926.800111.1G88 Y89 L97 S98 V99 K104 A105 A106 P152G88-Q102 WeakPolarHBondContact CA-O 3.18Å; Y89-Q102 HydrophobicContact CD1-CG 4.27Å; L97-Q102 HydrophobicContact CB-CG 3.73Å; L97-Q102 PolarHBondContact O-NE2 3.49Å; S98-Q102 WeakPolarHBondContact O-CG 3.37Å; S98-Q102 PolarHBondContact O-N 2.82Å; V99-Q102 PolarHBondContact O-N 2.79Å; Q102-K104 PolarHBondContact O-N 2.83Å; Q102-A105 PolarHBondContact O-N 3.04Å; Q102-A106 WeakPolarHBondContact O-CB 3.46Å; Q102-A106 PolarHBondContact O-N 2.97Å; Q102-P152 HydrophobicContact CB-CG 4.43Å
103I78.2Confident75Confident45 Ų4574.9 Ų74.923%0.23141%0.41CS..Hα-helixtrans-60.9-47.1178.2-66.7166000110.5V99 A105 A106 E107 P152V99-I103 HydrophobicContact CG1-CD1 3.93Å; V99-I103 WeakPolarHBondContact O-CG1 3.08Å; V99-I103 PolarHBondContact O-N 2.84Å; I103-A105 VanDerWaalsContact C-N 3.33Å; I103-A105 PolarHBondContact O-N 3.48Å; I103-A106 WeakPolarHBondContact O-CB 3.43Å; I103-A106 PolarHBondContact O-N 2.85Å; I103-A106 VanDerWaalsContact O-N 3.16Å; I103-E107 HydrophobicContact CG2-CG 4.39Å; I103-E107 WeakPolarHBondContact O-CG 3.48Å; I103-E107 PolarHBondContact O-N 3.1Å; I103-P152 HydrophobicContact CG1-CB 4.47Å
104K81.5Confident76.6Confident134 Ų13476.3 Ų76.358%0.58341%0.408SS*.Hα-helixtrans-61.7-38.5178.1-74.2-179.8179.5-177.50113.4T100 E101 Q102 K108T100-K104 WeakPolarHBondContact O-CG 3.38Å; T100-K104 PolarHBondContact O-N 3.05Å; E101-K104 PolarHBondContact O-N 2.83Å; Q102-K104 PolarHBondContact O-N 2.83Å; K104-K108 WeakPolarHBondContact O-CB 3.34Å; K104-K108 PolarHBondContact O-N 2.87Å
105A80.2Confident78.2Confident39 Ų3972 Ų7232%0.32239%0.388SS..Hα-helixtrans-66.3-40.717600000111.3G88 E101 Q102 I103 K108 A109G88-A105 VanDerWaalsContact O-CB 3.31Å; G88-A105 WeakPolarHBondContact O-CB 3.48Å; E101-A105 WeakPolarHBondContact O-CB 3.42Å; E101-A105 PolarHBondContact O-N 3.09Å; Q102-A105 PolarHBondContact O-N 3.04Å; I103-A105 VanDerWaalsContact C-N 3.33Å; I103-A105 PolarHBondContact O-N 3.48Å; A105-K108 PolarHBondContact O-N 3.21Å; A105-A109 PolarHBondContact O-N 3.28Å
106A81.6Confident79.6Confident2 Ų268.1 Ų68.12%0.01736%0.363CS..Hα-helixtrans-64.6-42.6175.300000111.9V86 Q102 I103 K108 A109 W110 L154V86-A106 HydrophobicContact CG1-CB 4.11Å; V86-A106 WeakPolarHBondContact CG1-O 3.15Å; Q102-A106 WeakPolarHBondContact O-CB 3.46Å; Q102-A106 PolarHBondContact O-N 2.97Å; I103-A106 WeakPolarHBondContact O-CB 3.43Å; I103-A106 PolarHBondContact O-N 2.85Å; I103-A106 VanDerWaalsContact O-N 3.16Å; A106-K108 PolarHBondContact O-N 3.06Å; A106-A109 PolarHBondContact O-N 2.78Å; A106-W110 WeakPolarHBondContact O-CB 3.39Å; A106-W110 PolarHBondContact O-N 2.97Å; A106-L154 HydrophobicContact CB-CD1 3.56Å; A106-L154 HydrophobicContact CB-CG 3.88Å
107E84.2Confident80.9Confident91 Ų9158.8 Ų58.843%0.42532%0.319SS..Hα-helixtrans-59.2-47174.9-72174.8163.300110.9I103 A109 W110 D111 L154I103-E107 HydrophobicContact CG2-CG 4.39Å; I103-E107 WeakPolarHBondContact O-CG 3.48Å; I103-E107 PolarHBondContact O-N 3.1Å; E107-A109 VanDerWaalsContact C-N 3.34Å; E107-A109 PolarHBondContact O-N 2.87Å; E107-W110 WeakPolarHBondContact O-CB 3.34Å; E107-W110 PolarHBondContact O-N 2.88Å; E107-D111 VanDerWaalsContact O-CG 3.31Å; E107-D111 PolarHBondContact O-N 2.92Å; E107-L154 HydrophobicContact CB-CD1 4.32Å; E107-L154 HydrophobicContact CG-CD1 3.66Å
108K84.4Confident81.9Confident162 Ų16261 Ų6170%0.70433%0.328SS*.Hα-helixtrans-62.4-39.4178-174.8179.3178.5-176.60112.9K104 A105 A106 S112K104-K108 WeakPolarHBondContact O-CB 3.34Å; K104-K108 PolarHBondContact O-N 2.87Å; A105-K108 PolarHBondContact O-N 3.21Å; A106-K108 PolarHBondContact O-N 3.06Å; K108-S112 WeakPolarHBondContact O-CB 3.23Å; K108-S112 PolarHBondContact O-N 3.09Å; K108-S112 VanDerWaalsContact O-N 3.08Å
109A84Confident82.4Confident12 Ų1261.7 Ų61.710%0.09934%0.344CS..Hα-helixtrans-66.8-40.9176.100000111.2V86 A105 A106 E107 S112 L113V86-A109 HydrophobicContact CG1-CB 3.78Å; A105-A109 PolarHBondContact O-N 3.28Å; A106-A109 PolarHBondContact O-N 2.78Å; E107-A109 VanDerWaalsContact C-N 3.34Å; E107-A109 PolarHBondContact O-N 2.87Å; A109-S112 PolarHBondContact O-N 3Å; A109-L113 PolarHBondContact O-N 3.36Å
110W86.1Confident82.9Confident13 Ų1357.7 Ų57.75%0.04932%0.32CS..Hα-helixtrans-62.2-48.2173.8171.5-109.8000112.3V84 V86 A106 E107 S112 L113 Y114 A140 P143 C156 V158V84-W110 HydrophobicContact CG2-CE3 4.09Å; V84-W110 HydrophobicContact CG2-CZ3 3.58Å; V86-W110 HydrophobicContact CG2-CB 4.38Å; V86-W110 HydrophobicContact CG2-CE3 4.29Å; A106-W110 WeakPolarHBondContact O-CB 3.39Å; A106-W110 PolarHBondContact O-N 2.97Å; E107-W110 WeakPolarHBondContact O-CB 3.34Å; E107-W110 PolarHBondContact O-N 2.88Å; W110-S112 VanDerWaalsContact C-N 3.26Å; W110-S112 PolarHBondContact O-N 3.14Å; W110-L113 HydrophobicContact CE3-CD2 4.05Å; W110-L113 HydrophobicContact CZ3-CD2 3.95Å; W110-L113 WeakPolarHBondContact O-CB 3.48Å; W110-L113 PolarHBondContact O-N 2.92Å; W110-Y114 HydrophobicContact CZ2-CD2 4.22Å; W110-Y114 PolarHBondContact O-N 2.92Å; W110-A140 HydrophobicContact CZ2-CB 4.19Å; W110-P143 HydrophobicContact CG-CG 4.46Å; W110-C156 HydrophobicContact CD2-CB 3.57Å; W110-C156 HydrophobicContact CE3-CB 3.34Å; W110-C156 HydrophobicContact CG-CB 4.43Å; W110-C156 HydrophobicContact CH2-CB 3.35Å; W110-C156 HydrophobicContact CZ2-CB 3.61Å; W110-C156 HydrophobicContact CZ3-CB 3.24Å; W110-V158 HydrophobicContact CH2-CG2 3.47Å; W110-V158 VanDerWaalsContact CH2-CG2 3.47Å; W110-V158 HydrophobicContact CZ2-CG2 4.34Å; W110-V158 HydrophobicContact CZ3-CG2 4.26Å
111D85.6Confident83.4Confident101 Ų10153.6 Ų53.654%0.5430%0.295SS..Hα-helixtrans-58.8-40.4178.2-72.2-17.7000111.2E107 L113 Y114 A115E107-D111 VanDerWaalsContact O-CG 3.31Å; E107-D111 PolarHBondContact O-N 2.92Å; D111-L113 PolarHBondContact O-N 3.12Å; D111-Y114 PolarHBondContact O-N 2.95Å; D111-A115 WeakPolarHBondContact O-CB 3.19Å; D111-A115 PolarHBondContact O-N 2.86Å
112S84.9Confident84Confident74 Ų7449 Ų4952%0.51727%0.273SS..Hα-helixtrans-65.7-36.7175.7-173.20000112.9K108 A109 W110 Y116K108-S112 WeakPolarHBondContact O-CB 3.23Å; K108-S112 PolarHBondContact O-N 3.09Å; K108-S112 VanDerWaalsContact O-N 3.08Å; A109-S112 PolarHBondContact O-N 3Å; W110-S112 VanDerWaalsContact C-N 3.26Å; W110-S112 PolarHBondContact O-N 3.14Å; S112-Y116 PolarHBondContact O-N 2.83Å
113L85.2Confident84.8Confident1 Ų147.8 Ų47.81%0.00527%0.268CS..Hα-helixtrans-70.2-48175.8176.466.1000110.4I8 L28 F32 V37 V84 A109 W110 D111 Y116 L117I8-L113 HydrophobicContact CD1-CD1 4.27Å; L28-L113 HydrophobicContact CD1-CD1 4.04Å; F32-L113 HydrophobicContact CB-CD1 4.41Å; F32-L113 HydrophobicContact CD1-CB 3.99Å; F32-L113 HydrophobicContact CD1-CD1 3.56Å; F32-L113 HydrophobicContact CD1-CG 4.39Å; F32-L113 HydrophobicContact CD2-CD1 3.87Å; F32-L113 HydrophobicContact CE1-CD1 3.67Å; F32-L113 HydrophobicContact CE2-CD1 3.99Å; F32-L113 HydrophobicContact CG-CB 4.46Å; F32-L113 HydrophobicContact CG-CD1 3.67Å; F32-L113 HydrophobicContact CZ-CD1 3.89Å; V37-L113 HydrophobicContact CG1-CD2 4.17Å; V84-L113 HydrophobicContact CG2-CD2 4.17Å; A109-L113 PolarHBondContact O-N 3.36Å; W110-L113 HydrophobicContact CE3-CD2 4.05Å; W110-L113 HydrophobicContact CZ3-CD2 3.95Å; W110-L113 WeakPolarHBondContact O-CB 3.48Å; W110-L113 PolarHBondContact O-N 2.92Å; D111-L113 PolarHBondContact O-N 3.12Å; L113-Y116 WeakPolarHBondContact O-CB 3.26Å; L113-Y116 PolarHBondContact O-N 2.83Å; L113-Y116 VanDerWaalsContact O-N 3.1Å; L113-L117 HydrophobicContact CD1-CD1 4.33Å; L113-L117 HydrophobicContact CD1-CG 4.46Å; L113-L117 HydrophobicContact CG-CD1 4.12Å; L113-L117 WeakPolarHBondContact O-CG 3.47Å; L113-L117 PolarHBondContact O-N 3.44Å
114Y86.7Confident85.4Confident55 Ų5545.8 Ų45.822%0.21626%0.257CS..Hα-helixtrans-64.8-42.7-178.6-171.8-106.5000111.9W110 D111 Y116 L117 E118 V137 A140W110-Y114 HydrophobicContact CZ2-CD2 4.22Å; W110-Y114 PolarHBondContact O-N 2.92Å; D111-Y114 PolarHBondContact O-N 2.95Å; Y114-Y116 PolarHBondContact O-N 2.83Å; Y114-L117 PolarHBondContact O-N 3.03Å; Y114-E118 WeakPolarHBondContact O-CB 3.29Å; Y114-E118 PolarHBondContact O-N 2.64Å; Y114-V137 HydrophobicContact CE2-CG1 4.37Å; Y114-A140 HydrophobicContact CD2-CB 3.75Å; Y114-A140 HydrophobicContact CE2-CB 3.21Å
115A86.3Confident85.7Confident58 Ų5840 Ų4048%0.47923%0.231SC..Hα-helixtrans-61.2-26.9173.600000113D111D111-A115 WeakPolarHBondContact O-CB 3.19Å; D111-A115 PolarHBondContact O-N 2.86Å
116Y84.5Confident86.1Confident13 Ų1338.2 Ų38.25%0.05122%0.217CC..Hα-helixtrans-73.8-40.4171.4-176.8-102.3000111.6I8 R10 K26 F32 S112 L113 Y114I8-Y116 HydrophobicContact CD1-CD1 3.93Å; I8-Y116 HydrophobicContact CD1-CE1 3.82Å; I8-Y116 HydrophobicContact CG1-CE1 4.11Å; R10-Y116 HydrophobicContact CB-CE1 3.98Å; R10-Y116 HydrophobicContact CB-CE2 4.01Å; R10-Y116 WeakPolarHBondContact CB-OH 3.39Å; R10-Y116 WeakPolarHBondContact CD-O 3.2Å; R10-Y116 PolarHBondContact N-OH 2.84Å; R10-Y116 PolarHBondContact NH1-O 2.86Å; R10-Y116 VanDerWaalsContact NH1-O 3.09Å; K26-Y116 HydrophobicContact CD-CE1 4.44Å; K26-Y116 HydrophobicContact CD-CE2 4.08Å; F32-Y116 AromaticContact CE1-CD1 3.95Å; F32-Y116 HydrophobicContact CE1-CD1 3.95Å; F32-Y116 AromaticContact CE1-CG 3.91Å; F32-Y116 HydrophobicContact CE1-CG 3.91Å; F32-Y116 AromaticContact CZ-CD1 3.55Å; F32-Y116 HydrophobicContact CZ-CD1 3.55Å; F32-Y116 AromaticContact CZ-CE1 3.91Å; F32-Y116 HydrophobicContact CZ-CE1 3.91Å; F32-Y116 AromaticContact CZ-CG 3.94Å; F32-Y116 HydrophobicContact CZ-CG 3.94Å; S112-Y116 PolarHBondContact O-N 2.83Å; L113-Y116 WeakPolarHBondContact O-CB 3.26Å; L113-Y116 PolarHBondContact O-N 2.83Å; L113-Y116 VanDerWaalsContact O-N 3.1Å; Y114-Y116 PolarHBondContact O-N 2.83Å
117L85.9Confident86.2Confident4 Ų440 Ų402%0.02123%0.226CC..Hα-helixtrans-72.4-32-178.8-66.4175.5000112.9I8 L113 Y114 I122 V137 V158I8-L117 HydrophobicContact CD1-CD2 4.01Å; L113-L117 HydrophobicContact CD1-CD1 4.33Å; L113-L117 HydrophobicContact CD1-CG 4.46Å; L113-L117 HydrophobicContact CG-CD1 4.12Å; L113-L117 WeakPolarHBondContact O-CG 3.47Å; L113-L117 PolarHBondContact O-N 3.44Å; Y114-L117 PolarHBondContact O-N 3.03Å; L117-I122 HydrophobicContact CD2-CD1 3.88Å; L117-I122 HydrophobicContact CD2-CG1 3.82Å; L117-I122 HydrophobicContact CD2-CG2 4.09Å; L117-V137 HydrophobicContact CB-CG2 4.03Å; L117-V137 WeakPolarHBondContact O-CG2 3.44Å; L117-V158 HydrophobicContact CD1-CG2 4.18Å
118E85.3Confident86.1Confident114 Ų11441.8 Ų41.853%0.53323%0.23SC..THydrogen-bonded Turntrans-65.4145.5-174.3-165.9176.3-166.800113.6Y114 A120Y114-E118 WeakPolarHBondContact O-CB 3.29Å; Y114-E118 PolarHBondContact O-N 2.64Å; E118-A120 PolarHBondContact O-N 3.34Å; E118-A120 VanDerWaalsContact O-N 3.16Å
119G80.9Confident86.1Confident73 Ų7340 Ų4075%0.75322%0.218SC*.THydrogen-bonded Turntrans69.310.8172.800000115.3
120A84.2Confident86.2Confident2 Ų244 Ų442%0.01724%0.235CC..SBendtrans-135.4163.4-172.800000113.6R10 L12 E118 I122R10-A120 HydrophobicContact CG-CB 3.34Å; L12-A120 HydrophobicContact CD2-CB 3.69Å; E118-A120 PolarHBondContact O-N 3.34Å; E118-A120 VanDerWaalsContact O-N 3.16Å; A120-I122 HydrophobicContact CB-CD1 4.24Å
121L88.5Confident86.3Confident6 Ų646.1 Ų46.13%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-87.3133.5163.2-71.8174.8000109.2Y11 W19 L134 L136 V163 W178 L179Y11-L121 PolarHBondContact N-O 3.08Å; Y11-L121 PolarHBondContact O-N 3.36Å; W19-L121 HydrophobicContact CD2-CD1 3.67Å; W19-L121 HydrophobicContact CE3-CB 4.45Å; W19-L121 HydrophobicContact CE3-CD1 3.77Å; W19-L121 HydrophobicContact CE3-CG 4.17Å; W19-L121 HydrophobicContact CG-CD1 4.37Å; W19-L121 HydrophobicContact CH2-CD1 3.67Å; W19-L121 HydrophobicContact CH2-CG 3.76Å; W19-L121 HydrophobicContact CZ2-CD1 3.56Å; W19-L121 HydrophobicContact CZ2-CG 4.16Å; W19-L121 HydrophobicContact CZ3-CB 4.28Å; W19-L121 HydrophobicContact CZ3-CD1 3.77Å; W19-L121 HydrophobicContact CZ3-CG 3.77Å; L121-L134 HydrophobicContact CB-CD1 4.13Å; L121-L134 HydrophobicContact CD1-CD2 4.29Å; L121-L136 HydrophobicContact CD2-CB 3.95Å; L121-L136 HydrophobicContact CD2-CD1 3.9Å; L121-V163 HydrophobicContact CD2-CG2 4.14Å; L121-W178 HydrophobicContact CD1-CH2 4.3Å; L121-W178 HydrophobicContact CD1-CZ3 3.87Å; L121-L179 HydrophobicContact CD1-CD2 4.03Å
122I90.9Very high86.5Confident5 Ų541.3 Ų41.33%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-110.3113.4-177-53.5-58.4000108.4I8 R10 L117 A120 W124 F135 V137I8-I122 HydrophobicContact CB-CG2 4.07Å; I8-I122 HydrophobicContact CG2-CG2 4.19Å; R10-I122 HydrophobicContact CB-CD1 4.31Å; R10-I122 HydrophobicContact CG-CD1 4.2Å; L117-I122 HydrophobicContact CD2-CD1 3.88Å; L117-I122 HydrophobicContact CD2-CG1 3.82Å; L117-I122 HydrophobicContact CD2-CG2 4.09Å; A120-I122 HydrophobicContact CB-CD1 4.24Å; I122-W124 PolarHBondContact O-N 3.42Å; I122-F135 PolarHBondContact N-O 2.84Å; I122-F135 PolarHBondContact O-N 2.8Å; I122-V137 HydrophobicContact CG1-CG2 3.87Å
123L91.1Very high86.8Confident0 Ų037.8 Ų37.80%020%0.195CC..EExtended strand (participates in β ladder)trans-85.7111.1170.8-174.150.2000108.6I8 Q9 Y11 Y125 A133 L134 I175I8-L123 WeakPolarHBondContact CA-O 3.39Å; Q9-L123 HydrophobicContact CB-CB 4.38Å; Q9-L123 PolarHBondContact N-O 2.81Å; Q9-L123 PolarHBondContact O-N 2.95Å; Y11-L123 HydrophobicContact CD2-CB 4.07Å; Y11-L123 HydrophobicContact CE2-CB 3.77Å; Y11-L123 HydrophobicContact CE2-CD2 3.69Å; Y11-L123 HydrophobicContact CE2-CG 4.43Å; L123-Y125 HydrophobicContact CB-CE2 4.31Å; L123-Y125 HydrophobicContact CD1-CE2 4.44Å; L123-Y125 HydrophobicContact CD2-CE2 3.52Å; L123-Y125 VanDerWaalsContact CD2-CZ 3.47Å; L123-Y125 WeakPolarHBondContact CD2-OH 3.33Å; L123-Y125 HydrophobicContact CG-CD2 4.09Å; L123-Y125 HydrophobicContact CG-CE2 3.42Å; L123-Y125 VanDerWaalsContact CG-CE2 3.42Å; L123-A133 WeakPolarHBondContact CD1-O 3.22Å; L123-L134 HydrophobicContact CB-CD1 4.25Å; L123-L134 HydrophobicContact CD1-CD1 4.34Å; L123-I175 HydrophobicContact CD1-CB 4.45Å; L123-I175 HydrophobicContact CD1-CD1 3.77Å; L123-I175 HydrophobicContact CD1-CG2 3.76Å; L123-I175 HydrophobicContact CD2-CG2 4.44Å
124W90.5Very high87.1Confident3 Ų337.8 Ų37.81%0.01119%0.194CC..EExtended strand (participates in β ladder)trans-89.4131.7176.9179.1-90.2000110F6 I8 L28 Y39 L42 L82 I122 K132 A133 F135F6-W124 HydrophobicContact CB-CH2 3.75Å; F6-W124 HydrophobicContact CB-CZ2 3.82Å; F6-W124 HydrophobicContact CD1-CH2 4.15Å; F6-W124 AromaticContact CD1-CZ2 3.43Å; F6-W124 HydrophobicContact CD1-CZ2 3.43Å; F6-W124 VanDerWaalsContact CD1-CZ2 3.43Å; F6-W124 HydrophobicContact CE1-CZ2 4.2Å; F6-W124 HydrophobicContact CG-CH2 4.02Å; F6-W124 AromaticContact CG-CZ2 3.78Å; F6-W124 HydrophobicContact CG-CZ2 3.78Å; I8-W124 HydrophobicContact CG2-CE3 3.5Å; I8-W124 VanDerWaalsContact CG2-CE3 3.5Å; I8-W124 HydrophobicContact CG2-CZ3 3.73Å; L28-W124 HydrophobicContact CD2-CH2 3.84Å; L28-W124 HydrophobicContact CD2-CZ3 3.99Å; Y39-W124 AromaticContact CD2-CH2 3.9Å; Y39-W124 HydrophobicContact CD2-CH2 3.9Å; Y39-W124 HydrophobicContact CD2-CZ2 4.33Å; Y39-W124 AromaticContact CE2-CH2 3.91Å; Y39-W124 HydrophobicContact CE2-CH2 3.91Å; Y39-W124 AromaticContact CE2-CZ2 3.99Å; Y39-W124 HydrophobicContact CE2-CZ2 3.99Å; L42-W124 HydrophobicContact CD2-CD2 4.04Å; L42-W124 HydrophobicContact CD2-CG 4.32Å; L42-W124 HydrophobicContact CD2-CZ2 4.12Å; L82-W124 HydrophobicContact CD1-CH2 4.14Å; L82-W124 HydrophobicContact CD1-CZ3 4.17Å; L82-W124 HydrophobicContact CD2-CZ3 4.39Å; I122-W124 PolarHBondContact O-N 3.42Å; W124-K132 WeakPolarHBondContact O-CA 3.42Å; W124-K132 WeakPolarHBondContact O-CB 3.34Å; W124-A133 PolarHBondContact N-O 3.31Å; W124-A133 PolarHBondContact O-N 3.47Å; W124-F135 HydrophobicContact CB-CD2 3.71Å; W124-F135 HydrophobicContact CB-CE2 3.57Å; W124-F135 HydrophobicContact CG-CD2 4.46Å; W124-F135 AromaticContact CG-CE2 3.94Å; W124-F135 HydrophobicContact CG-CE2 3.94Å
125Y88.9Confident87.4Confident11 Ų1135.2 Ų35.24%0.04318%0.184CC..EExtended strand (participates in β ladder)trans-123124.7171.5-68.4-82.3000109.6Y7 R25 L123 K132 E176Y7-Y125 PolarHBondContact N-O 2.92Å; Y7-Y125 PolarHBondContact O-N 3.48Å; R25-Y125 PolarHBondContact NH2-OH 3.5Å; L123-Y125 HydrophobicContact CB-CE2 4.31Å; L123-Y125 HydrophobicContact CD1-CE2 4.44Å; L123-Y125 HydrophobicContact CD2-CE2 3.52Å; L123-Y125 VanDerWaalsContact CD2-CZ 3.47Å; L123-Y125 WeakPolarHBondContact CD2-OH 3.33Å; L123-Y125 HydrophobicContact CG-CD2 4.09Å; L123-Y125 HydrophobicContact CG-CE2 3.42Å; L123-Y125 VanDerWaalsContact CG-CE2 3.42Å; Y125-K132 HydrophobicContact CD1-CB 3.8Å; Y125-K132 HydrophobicContact CD1-CD 4.44Å; Y125-K132 HydrophobicContact CE1-CB 3.97Å; Y125-K132 HydrophobicContact CE1-CD 3.86Å; Y125-E176 PolarHBondContact OH-OE1 2.86Å
126D87.6Confident87.5Confident2 Ų236 Ų361%0.01118%0.18CC..EExtended strand (participates in β ladder)trans-111.4101.4176.4-178.7-21000108.8F6 Y128 R129 Q130 K131F6-D126 HydrophobicContact CD1-CB 4.29Å; F6-D126 HydrophobicContact CE1-CB 4.38Å; D126-Y128 VanDerWaalsContact C-N 3.27Å; D126-Y128 PolarHBondContact O-N 3.1Å; D126-Y128 WeakPolarHBondContact OD1-CA 3.34Å; D126-Y128 VanDerWaalsContact OD1-CB 3.29Å; D126-Y128 WeakPolarHBondContact OD1-CB 3.47Å; D126-Y128 PolarHBondContact OD1-N 3.04Å; D126-R129 PolarHBondContact OD1-N 3.04Å; D126-R129 VanDerWaalsContact OD2-CD 3.22Å; D126-R129 WeakPolarHBondContact OD2-CD 3.39Å; D126-R129 WeakPolarHBondContact OD2-CG 3.38Å; D126-R129 IonicContact OD2-NE 3.71Å; D126-Q130 WeakPolarHBondContact O-CA 3.5Å; D126-Q130 PolarHBondContact O-N 2.81Å; D126-K131 HydrophobicContact CB-CB 4.44Å; D126-K131 PolarHBondContact N-O 3.41Å; D126-K131 PolarHBondContact O-N 2.92Å
127D84.4Confident87.6Confident40 Ų4036.5 Ų36.521%0.21418%0.184CC..THydrogen-bonded Turntrans-72.4-20.9178.4-81.22.1000113.1K4 K5 Y7 Q130K4-D127 HydrophobicContact CB-CB 4.17Å; K4-D127 HydrophobicContact CG-CB 4.5Å; K5-D127 WeakPolarHBondContact O-CB 3.44Å; K5-D127 PolarHBondContact O-N 2.82Å; Y7-D127 VanDerWaalsContact CE2-OD2 3.31Å; Y7-D127 WeakPolarHBondContact CE2-OD2 3.48Å; D127-Q130 PolarHBondContact O-NE2 2.79Å
128Y83.2Confident87.6Confident128 Ų12842 Ų4250%0.50221%0.21SC..THydrogen-bonded Turntrans-69-43.3176.5-65.2-85.7000110.9K4 F6 D126K4-Y128 HydrophobicContact CB-CD1 3.79Å; K4-Y128 HydrophobicContact CB-CD2 4.34Å; K4-Y128 HydrophobicContact CB-CE1 3.65Å; K4-Y128 HydrophobicContact CB-CE2 4.22Å; K4-Y128 HydrophobicContact CB-CG 4.15Å; K4-Y128 HydrophobicContact CD-CD1 3.99Å; K4-Y128 HydrophobicContact CD-CE1 4.44Å; K4-Y128 WeakPolarHBondContact O-CE2 3.42Å; K4-Y128 PolarHBondContact O-OH 2.88Å; F6-Y128 HydrophobicContact CD1-CD2 4.33Å; F6-Y128 HydrophobicContact CD2-CE2 4.26Å; F6-Y128 AromaticContact CE1-CD2 3.72Å; F6-Y128 HydrophobicContact CE1-CD2 3.72Å; F6-Y128 HydrophobicContact CE1-CE2 4.26Å; F6-Y128 HydrophobicContact CE2-CD2 4.07Å; F6-Y128 AromaticContact CE2-CE2 3.78Å; F6-Y128 HydrophobicContact CE2-CE2 3.78Å; F6-Y128 AromaticContact CZ-CD2 3.57Å; F6-Y128 HydrophobicContact CZ-CD2 3.57Å; F6-Y128 AromaticContact CZ-CE2 3.79Å; F6-Y128 HydrophobicContact CZ-CE2 3.79Å; D126-Y128 VanDerWaalsContact C-N 3.27Å; D126-Y128 PolarHBondContact O-N 3.1Å; D126-Y128 WeakPolarHBondContact OD1-CA 3.34Å; D126-Y128 VanDerWaalsContact OD1-CB 3.29Å; D126-Y128 WeakPolarHBondContact OD1-CB 3.47Å; D126-Y128 PolarHBondContact OD1-N 3.04Å
129R82.8Confident87.5Confident124 Ų12440.1 Ų40.147%0.46820%0.203SC..THydrogen-bonded Turntrans-97.8-8-178.8-57.8-177.7-174.4175.92113.4D126 K131D126-R129 PolarHBondContact OD1-N 3.04Å; D126-R129 VanDerWaalsContact OD2-CD 3.22Å; D126-R129 WeakPolarHBondContact OD2-CD 3.39Å; D126-R129 WeakPolarHBondContact OD2-CG 3.38Å; D126-R129 IonicContact OD2-NE 3.71Å; R129-K131 HydrophobicContact CB-CB 4.24Å; R129-K131 HydrophobicContact CB-CG 3.82Å; R129-K131 PolarHBondContact O-N 2.98Å
130Q86.5Confident87.5Confident97 Ų9737.7 Ų37.745%0.45318%0.177SC..THydrogen-bonded Turntrans53.446.9-171.2-63.3-68.4-49.300110.7D126 D127 D169 G170D126-Q130 WeakPolarHBondContact O-CA 3.5Å; D126-Q130 PolarHBondContact O-N 2.81Å; D127-Q130 PolarHBondContact O-NE2 2.79Å; Q130-D169 CarbonylContact O-C 3.54Å; Q130-G170 PolarHBondContact O-N 3.3Å
131K88.3Confident87.2Confident58 Ų5840.2 Ų40.225%0.25219%0.192SC..EExtended strand (participates in β ladder)trans-120.4151.5-177.8-69-61.7-177.3-177.20111.2D126 R129 F168 D169D126-K131 HydrophobicContact CB-CB 4.44Å; D126-K131 PolarHBondContact N-O 3.41Å; D126-K131 PolarHBondContact O-N 2.92Å; R129-K131 HydrophobicContact CB-CB 4.24Å; R129-K131 HydrophobicContact CB-CG 3.82Å; R129-K131 PolarHBondContact O-N 2.98Å; K131-F168 CarbonylContact C-O 3.53Å; K131-F168 VanDerWaalsContact CA-O 3.29Å; K131-F168 WeakPolarHBondContact CA-O 3.45Å; K131-F168 WeakPolarHBondContact CD-O 3.17Å; K131-D169 IonicContact NZ-OD1 2.64Å; K131-D169 PolarHBondContact NZ-OD1 2.94Å
132K90.7Very high86.8Confident0 Ų048.1 Ų48.10%023%0.229CC..EExtended strand (participates in β ladder)trans-135.9148.2171.665.2-176.5-165.5170.30112.4W124 Y125 S167 F168 D169 S172 I175 E176W124-K132 WeakPolarHBondContact O-CA 3.42Å; W124-K132 WeakPolarHBondContact O-CB 3.34Å; Y125-K132 HydrophobicContact CD1-CB 3.8Å; Y125-K132 HydrophobicContact CD1-CD 4.44Å; Y125-K132 HydrophobicContact CE1-CB 3.97Å; Y125-K132 HydrophobicContact CE1-CD 3.86Å; K132-S167 CarbonylContact O-C 3.59Å; K132-S167 WeakPolarHBondContact O-CA 3.41Å; K132-F168 HydrophobicContact CG-CB 4.01Å; K132-F168 PolarHBondContact N-O 2.78Å; K132-F168 PolarHBondContact O-N 2.71Å; K132-D169 WeakPolarHBondContact CE-O 3.38Å; K132-S172 WeakPolarHBondContact CE-O 3.25Å; K132-S172 VanDerWaalsContact NZ-C 3.29Å; K132-S172 PolarHBondContact NZ-O 3.37Å; K132-I175 HydrophobicContact CB-CD1 4.45Å; K132-I175 HydrophobicContact CD-CD1 4.23Å; K132-I175 HydrophobicContact CG-CD1 3.92Å; K132-E176 IonicContact NZ-OE1 2.77Å; K132-E176 PolarHBondContact NZ-OE1 3.22Å; K132-E176 IonicContact NZ-OE2 2.63Å; K132-E176 PolarHBondContact NZ-OE2 2.99Å
133A90.5Very high86.5Confident0 Ų050.5 Ų50.50%024%0.244CC..EExtended strand (participates in β ladder)trans-147.4147.1178.600000109.8L45 L123 W124 F135L45-A133 HydrophobicContact CD1-CB 3.86Å; L123-A133 WeakPolarHBondContact CD1-O 3.22Å; W124-A133 PolarHBondContact N-O 3.31Å; W124-A133 PolarHBondContact O-N 3.47Å; A133-F135 HydrophobicContact CB-CD2 4.3Å; A133-F135 HydrophobicContact CB-CE1 4.33Å; A133-F135 HydrophobicContact CB-CE2 3.59Å; A133-F135 HydrophobicContact CB-CZ 3.6Å
134L91.4Very high86.3Confident0 Ų053.9 Ų53.90%027%0.268CS..EExtended strand (participates in β ladder)trans-102.8119.4175.2-171.769.5000108.8L121 L123 N162 V163 F164 I175 W178 L179L121-L134 HydrophobicContact CB-CD1 4.13Å; L121-L134 HydrophobicContact CD1-CD2 4.29Å; L123-L134 HydrophobicContact CB-CD1 4.25Å; L123-L134 HydrophobicContact CD1-CD1 4.34Å; L134-N162 WeakPolarHBondContact O-CA 3.47Å; L134-V163 HydrophobicContact CB-CB 4.41Å; L134-V163 HydrophobicContact CB-CG2 4.48Å; L134-V163 HydrophobicContact CD2-CB 4.14Å; L134-V163 HydrophobicContact CD2-CG1 4.32Å; L134-V163 HydrophobicContact CD2-CG2 4.04Å; L134-V163 HydrophobicContact CG-CB 4.42Å; L134-V163 HydrophobicContact CG-CG2 4.09Å; L134-V163 PolarHBondContact O-N 3.45Å; L134-F164 HydrophobicContact CB-CD2 4.16Å; L134-F164 HydrophobicContact CB-CE2 4.14Å; L134-F164 HydrophobicContact CD2-CE2 3.95Å; L134-I175 HydrophobicContact CB-CD1 4.26Å; L134-I175 HydrophobicContact CB-CG2 3.91Å; L134-I175 HydrophobicContact CD1-CG2 4.02Å; L134-I175 HydrophobicContact CD2-CG2 4.08Å; L134-I175 HydrophobicContact CG-CG2 4.23Å; L134-W178 HydrophobicContact CD2-CE3 3.73Å; L134-W178 HydrophobicContact CD2-CH2 4.43Å; L134-W178 HydrophobicContact CD2-CZ3 3.56Å; L134-L179 HydrophobicContact CD1-CD1 4.4Å; L134-L179 HydrophobicContact CD1-CD2 4.47Å; L134-L179 HydrophobicContact CD2-CD2 4.3Å
135F92.6Very high85.9Confident1 Ų157.7 Ų57.70%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-111.7140.6-178.7-65.6-66.6000111.5L42 L45 A80 I122 W124 A133 L160 V161 N162L42-F135 HydrophobicContact CD2-CE2 3.95Å; L42-F135 HydrophobicContact CD2-CZ 4Å; L45-F135 HydrophobicContact CD1-CE2 4.28Å; L45-F135 HydrophobicContact CD1-CZ 3.86Å; A80-F135 HydrophobicContact CB-CD1 4.31Å; A80-F135 HydrophobicContact CB-CE1 3.68Å; A80-F135 HydrophobicContact CB-CZ 4.42Å; I122-F135 PolarHBondContact N-O 2.84Å; I122-F135 PolarHBondContact O-N 2.8Å; W124-F135 HydrophobicContact CB-CD2 3.71Å; W124-F135 HydrophobicContact CB-CE2 3.57Å; W124-F135 HydrophobicContact CG-CD2 4.46Å; W124-F135 AromaticContact CG-CE2 3.94Å; W124-F135 HydrophobicContact CG-CE2 3.94Å; A133-F135 HydrophobicContact CB-CD2 4.3Å; A133-F135 HydrophobicContact CB-CE1 4.33Å; A133-F135 HydrophobicContact CB-CE2 3.59Å; A133-F135 HydrophobicContact CB-CZ 3.6Å; F135-L160 HydrophobicContact CB-CB 4.11Å; F135-L160 HydrophobicContact CB-CD1 4.18Å; F135-L160 HydrophobicContact CB-CD2 4.31Å; F135-L160 HydrophobicContact CB-CG 4.44Å; F135-L160 HydrophobicContact CD1-CB 3.84Å; F135-L160 HydrophobicContact CD1-CD1 4.27Å; F135-L160 HydrophobicContact CD2-CD1 4.21Å; F135-L160 HydrophobicContact CG-CB 4.13Å; F135-L160 HydrophobicContact CG-CD1 3.97Å; F135-V161 CarbonylContact C-O 3.54Å; F135-V161 VanDerWaalsContact CA-O 3.29Å; F135-V161 WeakPolarHBondContact CA-O 3.49Å; F135-N162 HydrophobicContact CD1-CB 4.07Å; F135-N162 HydrophobicContact CE1-CB 3.8Å
136L88.6Confident85.7Confident76 Ų7660.9 Ų60.940%0.39831%0.309SS..EExtended strand (participates in β ladder)trans-102.1127.6162.8176.768.3000108.1L121 Q138 L160 V161L121-L136 HydrophobicContact CD2-CB 3.95Å; L121-L136 HydrophobicContact CD2-CD1 3.9Å; L136-Q138 PolarHBondContact O-N 2.88Å; L136-L160 CarbonylContact O-C 3.49Å; L136-L160 WeakPolarHBondContact O-CA 3.31Å; L136-V161 HydrophobicContact CB-CB 4.42Å; L136-V161 PolarHBondContact N-O 2.88Å; L136-V161 PolarHBondContact O-N 2.79Å
137V87.7Confident85.3Confident22 Ų2265.4 Ų65.413%0.13333%0.334CS..EExtended strand (participates in β ladder)trans-76.2123.6175.5-178.10000108.6Y114 L117 I122 V158 L160Y114-V137 HydrophobicContact CE2-CG1 4.37Å; L117-V137 HydrophobicContact CB-CG2 4.03Å; L117-V137 WeakPolarHBondContact O-CG2 3.44Å; I122-V137 HydrophobicContact CG1-CG2 3.87Å; V137-V158 HydrophobicContact CG1-CG1 3.73Å; V137-L160 HydrophobicContact CB-CD2 4.24Å; V137-L160 HydrophobicContact CG2-CD2 3.65Å
138Q85.5Confident85Confident120 Ų12068 Ų6856%0.56135%0.346SS*.EExtended strand (participates in β ladder)trans-100.7-51.1177.3-80.5-167.6-32.700112L136 K159 V161L136-Q138 PolarHBondContact O-N 2.88Å; Q138-K159 PolarHBondContact N-O 3.35Å; Q138-V161 HydrophobicContact CG-CG2 3.69Å; Q138-V161 VanDerWaalsContact NE2-CG2 3.33Å
139D83.8Confident84.7Confident74 Ų7471.1 Ų71.140%0.39636%0.363SS..EExtended strand (participates in β ladder)trans-157.9151.2-165.2-17626.7000109.2K159D139-K159 HydrophobicContact CB-CB 4.34Å; D139-K159 HydrophobicContact CB-CD 4.29Å; D139-K159 PolarHBondContact N-O 3.33Å; D139-K159 PolarHBondContact O-N 2.92Å; D139-K159 IonicContact OD2-NZ 3.27Å; D139-K159 PolarHBondContact OD2-NZ 2.89Å
140A80.8Confident84.3Confident23 Ų2372.7 Ų72.719%0.1938%0.381CS..EExtended strand (participates in β ladder)trans-120.2138.7168.900000109.5W110 Y114W110-A140 HydrophobicContact CZ2-CB 4.19Å; Y114-A140 HydrophobicContact CD2-CB 3.75Å; Y114-A140 HydrophobicContact CE2-CB 3.21Å
141T78Confident83.8Confident55 Ų5570.5 Ų70.534%0.33737%0.372SS..EExtended strand (participates in β ladder)trans-79.4150.4172.257.10000109.8S157T141-S157 PolarHBondContact N-O 2.95Å; T141-S157 WeakPolarHBondContact OG1-CB 3.31Å; T141-S157 PolarHBondContact OG1-O 3.06Å; T141-S157 VanDerWaalsContact OG1-O 3.12Å
142E79.7Confident83.4Confident171 Ų17168.2 Ų68.280%0.79936%0.362SS*.EExtended strand (participates in β ladder)trans-52.6130173.5-70.2-177.9171.800110.8S144E142-S144 PolarHBondContact O-N 2.92Å
143P84.1Confident83.1Confident55 Ų5569.3 Ų69.336%0.35737%0.367SS..EExtended strand (participates in β ladder)trans-54.8134.8174.4-26.735.6000111W110 L154W110-P143 HydrophobicContact CG-CG 4.46Å; P143-L154 HydrophobicContact CB-CD2 4.45Å
144S86.1Confident82.9Confident71 Ų7169.5 Ų69.550%0.49737%0.368SS..EExtended strand (participates in β ladder)trans-109.7130.7175.9-61.40000109.7E142 L155E142-S144 PolarHBondContact O-N 2.92Å; S144-L155 PolarHBondContact N-O 2.81Å; S144-L155 PolarHBondContact O-N 2.9Å
145T83.7Confident82.8Confident84 Ų8471.3 Ų71.352%0.51538%0.377SS..EExtended strand (participates in β ladder)trans-82.1132.9176.5-48.10000110.4
146D84Confident82.6Confident77 Ų7771.3 Ų71.341%0.41238%0.377SS..EExtended strand (participates in β ladder)trans-142.2169.1175.1-169.914.6000109.9P152 Y153D146-P152 WeakPolarHBondContact O-CA 3.34Å; D146-Y153 HydrophobicContact CB-CD1 4.34Å; D146-Y153 HydrophobicContact CB-CE1 3.61Å; D146-Y153 HydrophobicContact CB-CE2 4.25Å; D146-Y153 PolarHBondContact N-O 3.49Å; D146-Y153 VanDerWaalsContact O-CD1 3.25Å; D146-Y153 WeakPolarHBondContact O-CD1 3.38Å; D146-Y153 PolarHBondContact O-N 3.04Å; D146-Y153 PolarHBondContact OD2-OH 2.91Å
147N80.1Confident82.6Confident98 Ų9868.7 Ų68.752%0.52437%0.365SS..EExtended strand (participates in β ladder)trans-126.6130.2-176.2-66.5-57.8000111.6I151 P152N147-I151 CarbonylContact C-O 3.58Å; N147-I151 VanDerWaalsContact CA-O 3.31Å; N147-I151 WeakPolarHBondContact CA-O 3.48Å; N147-P152 WeakPolarHBondContact OD1-CA 3.18Å; N147-P152 WeakPolarHBondContact OD1-CB 3.46Å
148I76.5Confident82.7Confident93 Ų9367.8 Ų67.848%0.47736%0.36SS..EExtended strand (participates in β ladder)trans-112.8114.9169.7-164165.9000109.5F87 N150 I151 Y153F87-I148 HydrophobicContact CE1-CG2 4.09Å; I148-N150 VanDerWaalsContact C-N 3.27Å; I148-N150 PolarHBondContact O-N 3.39Å; I148-I151 HydrophobicContact CG2-CB 4.19Å; I148-I151 PolarHBondContact N-O 3.4Å; I148-I151 VanDerWaalsContact O-CB 3.24Å; I148-I151 WeakPolarHBondContact O-CB 3.43Å; I148-I151 PolarHBondContact O-N 3Å; I148-Y153 HydrophobicContact CB-CD1 4.36Å; I148-Y153 HydrophobicContact CB-CE1 4.21Å; I148-Y153 HydrophobicContact CG2-CD1 4.25Å
149K77.3Confident82.9Confident194 Ų19466.2 Ų66.284%0.84335%0.351SS*.THydrogen-bonded Turntrans49.744.7-177.8-57.9179.8177.5178.10113.4I151K149-I151 VanDerWaalsContact C-N 3.26Å; K149-I151 PolarHBondContact O-N 3.3Å
150N74.1Confident83.3Confident158 Ų15863 Ų6385%0.84533%0.334SS*.THydrogen-bonded Turntrans68.411.8-175.4-57.6-25.6000116.2I148I148-N150 VanDerWaalsContact C-N 3.27Å; I148-N150 PolarHBondContact O-N 3.39Å
151I76.8Confident83.7Confident51 Ų5162.6 Ų62.626%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-96.8115.7172.5-65.5159.3000108.6F87 Y89 N147 I148 K149F87-I151 HydrophobicContact CD1-CG2 4.03Å; F87-I151 HydrophobicContact CE1-CG2 4.26Å; Y89-I151 HydrophobicContact CE1-CG2 3.64Å; Y89-I151 WeakPolarHBondContact OH-CD1 2.93Å; Y89-I151 WeakPolarHBondContact OH-CG1 3.32Å; Y89-I151 WeakPolarHBondContact OH-CG2 3.29Å; N147-I151 CarbonylContact C-O 3.58Å; N147-I151 VanDerWaalsContact CA-O 3.31Å; N147-I151 WeakPolarHBondContact CA-O 3.48Å; I148-I151 HydrophobicContact CG2-CB 4.19Å; I148-I151 PolarHBondContact N-O 3.4Å; I148-I151 VanDerWaalsContact O-CB 3.24Å; I148-I151 WeakPolarHBondContact O-CB 3.43Å; I148-I151 PolarHBondContact O-N 3Å; K149-I151 VanDerWaalsContact C-N 3.26Å; K149-I151 PolarHBondContact O-N 3.3Å
152P80.1Confident84.2Confident9 Ų960 Ų606%0.05831%0.313CS..EExtended strand (participates in β ladder)trans-70.5136174.831-35000110.7V99 Q102 I103 D146 N147V99-P152 HydrophobicContact CG1-CG 4.21Å; Q102-P152 HydrophobicContact CB-CG 4.43Å; I103-P152 HydrophobicContact CG1-CB 4.47Å; D146-P152 WeakPolarHBondContact O-CA 3.34Å; N147-P152 WeakPolarHBondContact OD1-CA 3.18Å; N147-P152 WeakPolarHBondContact OD1-CB 3.46Å
153Y84.5Confident84.5Confident24 Ų2453.9 Ų53.99%0.09429%0.287CS..EExtended strand (participates in β ladder)trans-139.4156.5173.874.5-84.2000110.4C85 F87 D146 I148 L155C85-Y153 HydrophobicContact CB-CD2 3.86Å; C85-Y153 HydrophobicContact CB-CE2 4.2Å; F87-Y153 VanDerWaalsContact CE1-CB 3.48Å; F87-Y153 HydrophobicContact CE1-CD1 4.44Å; F87-Y153 HydrophobicContact CE1-CG 4.06Å; F87-Y153 HydrophobicContact CZ-CG 4.37Å; D146-Y153 HydrophobicContact CB-CD1 4.34Å; D146-Y153 HydrophobicContact CB-CE1 3.61Å; D146-Y153 HydrophobicContact CB-CE2 4.25Å; D146-Y153 PolarHBondContact N-O 3.49Å; D146-Y153 VanDerWaalsContact O-CD1 3.25Å; D146-Y153 WeakPolarHBondContact O-CD1 3.38Å; D146-Y153 PolarHBondContact O-N 3.04Å; D146-Y153 PolarHBondContact OD2-OH 2.91Å; I148-Y153 HydrophobicContact CB-CD1 4.36Å; I148-Y153 HydrophobicContact CB-CE1 4.21Å; I148-Y153 HydrophobicContact CG2-CD1 4.25Å; Y153-L155 HydrophobicContact CE2-CB 4.07Å
154L85.6Confident84.6Confident4 Ų453 Ų532%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-96.7122.8172.1-64.5176.7000109.3C85 V86 A106 E107 P143C85-L154 CarbonylContact C-O 3.58Å; C85-L154 WeakPolarHBondContact CA-O 3.47Å; V86-L154 HydrophobicContact CB-CB 4.36Å; V86-L154 PolarHBondContact N-O 2.82Å; V86-L154 PolarHBondContact O-N 3.19Å; A106-L154 HydrophobicContact CB-CD1 3.56Å; A106-L154 HydrophobicContact CB-CG 3.88Å; E107-L154 HydrophobicContact CB-CD1 4.32Å; E107-L154 HydrophobicContact CG-CD1 3.66Å; P143-L154 HydrophobicContact CB-CD2 4.45Å
155L89.1Confident84.5Confident38 Ų3849.7 Ų49.720%0.19925%0.254CS..EExtended strand (participates in β ladder)trans-89.4113167.2-179.962.2000108.4K40 S144 Y153K40-L155 HydrophobicContact CD-CD1 3.5Å; S144-L155 PolarHBondContact N-O 2.81Å; S144-L155 PolarHBondContact O-N 2.9Å; Y153-L155 HydrophobicContact CE2-CB 4.07Å
156C88.4Confident84.5Confident0 Ų047.6 Ų47.60%024%0.239CC..EExtended strand (participates in β ladder)trans-117.8138.2-179.5-51.40000110S83 V84 W110S83-C156 WeakPolarHBondContact CA-O 3.3Å; V84-C156 HydrophobicContact CG2-CB 4.07Å; V84-C156 PolarHBondContact N-O 2.85Å; V84-C156 PolarHBondContact O-N 2.85Å; W110-C156 HydrophobicContact CD2-CB 3.57Å; W110-C156 HydrophobicContact CE3-CB 3.34Å; W110-C156 HydrophobicContact CG-CB 4.43Å; W110-C156 HydrophobicContact CH2-CB 3.35Å; W110-C156 HydrophobicContact CZ2-CB 3.61Å; W110-C156 HydrophobicContact CZ3-CB 3.24Å
157S89.8Confident84.7Confident22 Ų2245 Ų4515%0.15423%0.227CC..EExtended strand (participates in β ladder)trans-128.1135.6177.9-60.30000111.6L82 S83 T141L82-S157 CarbonylContact O-C 3.47Å; L82-S157 VanDerWaalsContact O-CA 3.23Å; L82-S157 WeakPolarHBondContact O-CA 3.46Å; S83-S157 PolarHBondContact OG-OG 3.15Å; T141-S157 PolarHBondContact N-O 2.95Å; T141-S157 WeakPolarHBondContact OG1-CB 3.31Å; T141-S157 PolarHBondContact OG1-O 3.06Å; T141-S157 VanDerWaalsContact OG1-O 3.12Å
158V89.7Confident85.1Confident2 Ų241.8 Ų41.81%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-115.1126.3176.4-170.20000108.9T81 L82 W110 L117 V137 L160T81-V158 CarbonylContact C-O 3.59Å; T81-V158 WeakPolarHBondContact CA-O 3.27Å; L82-V158 HydrophobicContact CB-CB 4.45Å; L82-V158 PolarHBondContact N-O 2.87Å; L82-V158 PolarHBondContact O-N 3.49Å; W110-V158 HydrophobicContact CH2-CG2 3.47Å; W110-V158 VanDerWaalsContact CH2-CG2 3.47Å; W110-V158 HydrophobicContact CZ2-CG2 4.34Å; W110-V158 HydrophobicContact CZ3-CG2 4.26Å; L117-V158 HydrophobicContact CD1-CG2 4.18Å; V137-V158 HydrophobicContact CG1-CG1 3.73Å; V158-L160 HydrophobicContact CB-CD2 4.42Å; V158-L160 HydrophobicContact CG1-CD2 3.69Å; V158-L160 HydrophobicContact CG1-CG 4.28Å
159K89.6Confident85.6Confident87 Ų8742 Ų4238%0.37821%0.211SC..EExtended strand (participates in β ladder)trans-82.3125169.5-65176.6-169.6155.20109.3Q138 D139Q138-K159 PolarHBondContact N-O 3.35Å; D139-K159 HydrophobicContact CB-CB 4.34Å; D139-K159 HydrophobicContact CB-CD 4.29Å; D139-K159 PolarHBondContact N-O 3.33Å; D139-K159 PolarHBondContact O-N 2.92Å; D139-K159 IonicContact OD2-NZ 3.27Å; D139-K159 PolarHBondContact OD2-NZ 2.89Å
160L91.5Very high85.8Confident8 Ų834 Ų344%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-122.1149.5-175.4-59.6176.9000109.4L42 N79 A80 L82 F135 L136 V137 V158L42-L160 HydrophobicContact CD1-CD1 4.03Å; N79-L160 CarbonylContact C-O 3.55Å; N79-L160 WeakPolarHBondContact CA-O 3.4Å; A80-L160 HydrophobicContact CB-CB 4.23Å; A80-L160 PolarHBondContact N-O 3.37Å; A80-L160 PolarHBondContact O-N 3.16Å; L82-L160 HydrophobicContact CB-CD1 3.74Å; L82-L160 HydrophobicContact CB-CG 4.5Å; F135-L160 HydrophobicContact CB-CB 4.11Å; F135-L160 HydrophobicContact CB-CD1 4.18Å; F135-L160 HydrophobicContact CB-CD2 4.31Å; F135-L160 HydrophobicContact CB-CG 4.44Å; F135-L160 HydrophobicContact CD1-CB 3.84Å; F135-L160 HydrophobicContact CD1-CD1 4.27Å; F135-L160 HydrophobicContact CD2-CD1 4.21Å; F135-L160 HydrophobicContact CG-CB 4.13Å; F135-L160 HydrophobicContact CG-CD1 3.97Å; L136-L160 CarbonylContact O-C 3.49Å; L136-L160 WeakPolarHBondContact O-CA 3.31Å; V137-L160 HydrophobicContact CB-CD2 4.24Å; V137-L160 HydrophobicContact CG2-CD2 3.65Å; V158-L160 HydrophobicContact CB-CD2 4.42Å; V158-L160 HydrophobicContact CG1-CD2 3.69Å; V158-L160 HydrophobicContact CG1-CG 4.28Å
161V89.8Confident86.3Confident14 Ų1433.7 Ų33.79%0.08518%0.181CC..EExtended strand (participates in β ladder)trans-111.6120.5168.7174.30000108.9T78 F135 L136 Q138 V163T78-V161 CarbonylContact O-C 3.53Å; T78-V161 WeakPolarHBondContact O-CA 3.08Å; F135-V161 CarbonylContact C-O 3.54Å; F135-V161 VanDerWaalsContact CA-O 3.29Å; F135-V161 WeakPolarHBondContact CA-O 3.49Å; L136-V161 HydrophobicContact CB-CB 4.42Å; L136-V161 PolarHBondContact N-O 2.88Å; L136-V161 PolarHBondContact O-N 2.79Å; Q138-V161 HydrophobicContact CG-CG2 3.69Å; Q138-V161 VanDerWaalsContact NE2-CG2 3.33Å; V161-V163 PolarHBondContact O-N 2.97Å
162N88.5Confident86.7Confident0 Ų032.7 Ų32.70%018%0.179CC..EExtended strand (participates in β ladder)trans-73.1109.8170.1-173-24.8000108.9S77 T78 L134 F135 F164 G165 Q166S77-N162 VanDerWaalsContact CA-O 3.24Å; S77-N162 WeakPolarHBondContact CA-O 3.46Å; S77-N162 VanDerWaalsContact CB-O 3.29Å; S77-N162 WeakPolarHBondContact CB-O 3.09Å; T78-N162 PolarHBondContact N-O 3.31Å; T78-N162 PolarHBondContact O-N 2.65Å; T78-N162 WeakPolarHBondContact OG1-CB 3.44Å; L134-N162 WeakPolarHBondContact O-CA 3.47Å; F135-N162 HydrophobicContact CD1-CB 4.07Å; F135-N162 HydrophobicContact CE1-CB 3.8Å; N162-F164 PolarHBondContact O-N 2.88Å; N162-F164 PolarHBondContact OD1-N 3.2Å; N162-F164 VanDerWaalsContact OD1-N 3.13Å; N162-G165 PolarHBondContact O-N 3.47Å; N162-G165 PolarHBondContact OD1-N 2.68Å; N162-Q166 VanDerWaalsContact ND2-C 3.29Å; N162-Q166 PolarHBondContact ND2-N 3.42Å; N162-Q166 PolarHBondContact ND2-O 2.7Å; N162-Q166 PolarHBondContact OD1-O 3.38Å
163V86Confident87Confident42 Ų4236.1 Ų36.126%0.25520%0.2SC..THydrogen-bonded Turntrans-57.3-37.5-175176.90000111.8L121 L134 V161 W178L121-V163 HydrophobicContact CD2-CG2 4.14Å; L134-V163 HydrophobicContact CB-CB 4.41Å; L134-V163 HydrophobicContact CB-CG2 4.48Å; L134-V163 HydrophobicContact CD2-CB 4.14Å; L134-V163 HydrophobicContact CD2-CG1 4.32Å; L134-V163 HydrophobicContact CD2-CG2 4.04Å; L134-V163 HydrophobicContact CG-CB 4.42Å; L134-V163 HydrophobicContact CG-CG2 4.09Å; L134-V163 PolarHBondContact O-N 3.45Å; V161-V163 PolarHBondContact O-N 2.97Å; V163-W178 HydrophobicContact CG1-CH2 4.04Å; V163-W178 HydrophobicContact CG1-CZ2 4.04Å
164F85.1Confident87Confident38 Ų3838.1 Ų38.117%0.16721%0.214CC..THydrogen-bonded Turntrans-95.3-5.4-178.5-68.9-83.5000113.6L134 N162 Q166 F168 T174 I175 W178L134-F164 HydrophobicContact CB-CD2 4.16Å; L134-F164 HydrophobicContact CB-CE2 4.14Å; L134-F164 HydrophobicContact CD2-CE2 3.95Å; N162-F164 PolarHBondContact O-N 2.88Å; N162-F164 PolarHBondContact OD1-N 3.2Å; N162-F164 VanDerWaalsContact OD1-N 3.13Å; F164-Q166 HydrophobicContact CB-CG 4.4Å; F164-Q166 PolarHBondContact O-N 3.08Å; F164-Q166 VanDerWaalsContact O-N 3.14Å; F164-F168 HydrophobicContact CB-CE2 3.57Å; F164-F168 HydrophobicContact CB-CZ 3.84Å; F164-F168 HydrophobicContact CD1-CE2 4.13Å; F164-F168 AromaticContact CD1-CZ 3.93Å; F164-F168 HydrophobicContact CD1-CZ 3.93Å; F164-F168 AromaticContact CD2-CE2 3.88Å; F164-F168 HydrophobicContact CD2-CE2 3.88Å; F164-F168 HydrophobicContact CD2-CZ 4.49Å; F164-F168 AromaticContact CG-CE2 3.59Å; F164-F168 HydrophobicContact CG-CE2 3.59Å; F164-F168 AromaticContact CG-CZ 3.84Å; F164-F168 HydrophobicContact CG-CZ 3.84Å; F164-T174 HydrophobicContact CE1-CG2 4.41Å; F164-I175 HydrophobicContact CD2-CG1 4.17Å; F164-I175 HydrophobicContact CE2-CB 4.36Å; F164-I175 HydrophobicContact CE2-CG1 3.83Å; F164-I175 HydrophobicContact CE2-CG2 4.4Å; F164-W178 HydrophobicContact CE1-CB 4.44Å; F164-W178 HydrophobicContact CE1-CG 4.21Å; F164-W178 HydrophobicContact CE2-CD2 4.46Å; F164-W178 HydrophobicContact CZ-CB 3.69Å; F164-W178 AromaticContact CZ-CD2 3.87Å; F164-W178 HydrophobicContact CZ-CD2 3.87Å; F164-W178 HydrophobicContact CZ-CE3 4.42Å; F164-W178 AromaticContact CZ-CG 3.56Å; F164-W178 HydrophobicContact CZ-CG 3.56Å
165G83.7Confident87.1Confident0 Ų037.9 Ų37.90%021%0.213CC..SBendtrans63.714.4-175.600000114.5K48 G49 E76 N162K48-G165 CarbonylContact C-O 3.52Å; K48-G165 VanDerWaalsContact CA-O 3.29Å; K48-G165 WeakPolarHBondContact CA-O 3.33Å; G49-G165 PolarHBondContact N-O 3.01Å; E76-G165 WeakPolarHBondContact O-CA 3.35Å; N162-G165 PolarHBondContact O-N 3.47Å; N162-G165 PolarHBondContact OD1-N 2.68Å
166Q84.7Confident86.9Confident41 Ų4137.8 Ų37.819%0.19221%0.212CC..SBendtrans-157.2160177.765.3-174.7-2900110.3H75 N162 F164 F168H75-Q166 PolarHBondContact CE1-OE1 3.24Å; H75-Q166 PolarHBondContact ND1-NE2 2.91Å; H75-Q166 PolarHBondContact ND1-OE1 3.02Å; N162-Q166 VanDerWaalsContact ND2-C 3.29Å; N162-Q166 PolarHBondContact ND2-N 3.42Å; N162-Q166 PolarHBondContact ND2-O 2.7Å; N162-Q166 PolarHBondContact OD1-O 3.38Å; F164-Q166 HydrophobicContact CB-CG 4.4Å; F164-Q166 PolarHBondContact O-N 3.08Å; F164-Q166 VanDerWaalsContact O-N 3.14Å; Q166-F168 HydrophobicContact CG-CE1 4.31Å; Q166-F168 HydrophobicContact CG-CE2 4.15Å; Q166-F168 HydrophobicContact CG-CZ 3.92Å
167S87.6Confident86.7Confident22 Ų2240.8 Ų40.815%0.15423%0.227CC..  trans-93.1148.9166.845.50000110.4L45 K132L45-S167 PolarHBondContact O-OG 2.78Å; L45-S167 VanDerWaalsContact O-OG 3.1Å; K132-S167 CarbonylContact O-C 3.59Å; K132-S167 WeakPolarHBondContact O-CA 3.41Å
168F87.9Confident86.5Confident30 Ų3042.3 Ų42.313%0.13223%0.23CC..EExtended strand (participates in β ladder)trans-109.2162.6176.3-60-90.3000109.9K131 K132 F164 Q166 T174 I175K131-F168 CarbonylContact C-O 3.53Å; K131-F168 VanDerWaalsContact CA-O 3.29Å; K131-F168 WeakPolarHBondContact CA-O 3.45Å; K131-F168 WeakPolarHBondContact CD-O 3.17Å; K132-F168 HydrophobicContact CG-CB 4.01Å; K132-F168 PolarHBondContact N-O 2.78Å; K132-F168 PolarHBondContact O-N 2.71Å; F164-F168 HydrophobicContact CB-CE2 3.57Å; F164-F168 HydrophobicContact CB-CZ 3.84Å; F164-F168 HydrophobicContact CD1-CE2 4.13Å; F164-F168 AromaticContact CD1-CZ 3.93Å; F164-F168 HydrophobicContact CD1-CZ 3.93Å; F164-F168 AromaticContact CD2-CE2 3.88Å; F164-F168 HydrophobicContact CD2-CE2 3.88Å; F164-F168 HydrophobicContact CD2-CZ 4.49Å; F164-F168 AromaticContact CG-CE2 3.59Å; F164-F168 HydrophobicContact CG-CE2 3.59Å; F164-F168 AromaticContact CG-CZ 3.84Å; F164-F168 HydrophobicContact CG-CZ 3.84Å; Q166-F168 HydrophobicContact CG-CE1 4.31Å; Q166-F168 HydrophobicContact CG-CE2 4.15Å; Q166-F168 HydrophobicContact CG-CZ 3.92Å; F168-T174 HydrophobicContact CE1-CG2 3.93Å; F168-T174 HydrophobicContact CZ-CG2 4Å; F168-I175 HydrophobicContact CD2-CD1 3.87Å; F168-I175 HydrophobicContact CD2-CG1 3.92Å; F168-I175 HydrophobicContact CE2-CD1 4.4Å; F168-I175 HydrophobicContact CE2-CG1 4.1Å
169D88.5Confident86.3Confident99 Ų9942.3 Ų42.353%0.52923%0.23SC..EExtended strand (participates in β ladder)trans-66.7152.4170.4-59.1-41.4000110.7Q130 K131 K132 D171 S172Q130-D169 CarbonylContact O-C 3.54Å; K131-D169 IonicContact NZ-OD1 2.64Å; K131-D169 PolarHBondContact NZ-OD1 2.94Å; K132-D169 WeakPolarHBondContact CE-O 3.38Å; D169-D171 PolarHBondContact O-N 2.92Å; D169-D171 VanDerWaalsContact O-N 3.14Å; D169-S172 WeakPolarHBondContact O-CB 3.45Å; D169-S172 PolarHBondContact O-N 3.46Å
170G81.9Confident85.8Confident25 Ų2545.3 Ų45.326%0.25824%0.243SC..THydrogen-bonded Turntrans-53.3-35.4-177.500000113.5Q130Q130-G170 PolarHBondContact O-N 3.3Å
171D83.5Confident85.3Confident151 Ų15150.3 Ų50.381%0.80727%0.27SS*.THydrogen-bonded Turntrans-84.8-7.8-176.9-58.4-37.3000114.7D169D169-D171 PolarHBondContact O-N 2.92Å; D169-D171 VanDerWaalsContact O-N 3.14Å
172S85.9Confident84.7Confident31 Ų3150.7 Ų50.722%0.21728%0.277CS..  trans-58.6158.4176.5163.40000110.1K132 D169 T174K132-S172 WeakPolarHBondContact CE-O 3.25Å; K132-S172 VanDerWaalsContact NZ-C 3.29Å; K132-S172 PolarHBondContact NZ-O 3.37Å; D169-S172 WeakPolarHBondContact O-CB 3.45Å; D169-S172 PolarHBondContact O-N 3.46Å; S172-T174 WeakPolarHBondContact OG-CB 3.08Å; S172-T174 PolarHBondContact OG-N 3.48Å; S172-T174 VanDerWaalsContact OG-N 3.14Å; S172-T174 PolarHBondContact OG-OG1 2.95Å
173T85.4Confident83.9Confident81 Ų8151.7 Ų51.750%0.49729%0.287SS..  trans-116.62.8169.661.90000112.3I175 E176 D177T173-I175 VanDerWaalsContact C-N 3.26Å; T173-I175 PolarHBondContact O-N 3.19Å; T173-I175 VanDerWaalsContact O-N 3.17Å; T173-E176 VanDerWaalsContact C-OE2 3.29Å; T173-E176 WeakPolarHBondContact CA-OE2 3.31Å; T173-E176 PolarHBondContact O-N 3.05Å; T173-E176 VanDerWaalsContact O-N 3.1Å; T173-D177 WeakPolarHBondContact CB-OD2 3.49Å; T173-D177 WeakPolarHBondContact O-CB 3.29Å; T173-D177 PolarHBondContact O-N 3.11Å; T173-D177 PolarHBondContact OG1-OD2 3Å
174T85.8Confident82.9Confident65 Ų6560.2 Ų60.240%0.39932%0.32SS..Hα-helixtrans-56.5-39.9-170.2-54.40000112.6F164 F168 S172 W178F164-T174 HydrophobicContact CE1-CG2 4.41Å; F168-T174 HydrophobicContact CE1-CG2 3.93Å; F168-T174 HydrophobicContact CZ-CG2 4Å; S172-T174 WeakPolarHBondContact OG-CB 3.08Å; S172-T174 PolarHBondContact OG-N 3.48Å; S172-T174 VanDerWaalsContact OG-N 3.14Å; S172-T174 PolarHBondContact OG-OG1 2.95Å; T174-W178 WeakPolarHBondContact O-CB 2.99Å; T174-W178 PolarHBondContact O-N 3.37Å; T174-W178 VanDerWaalsContact O-N 3.14Å
175I86.2Confident82.7Confident0 Ų061.3 Ų61.30%033%0.328CS..Hα-helixtrans-72.2-46180-61.8174.8000110.6L123 K132 L134 F164 F168 T173 D177 W178 L179L123-I175 HydrophobicContact CD1-CB 4.45Å; L123-I175 HydrophobicContact CD1-CD1 3.77Å; L123-I175 HydrophobicContact CD1-CG2 3.76Å; L123-I175 HydrophobicContact CD2-CG2 4.44Å; K132-I175 HydrophobicContact CB-CD1 4.45Å; K132-I175 HydrophobicContact CD-CD1 4.23Å; K132-I175 HydrophobicContact CG-CD1 3.92Å; L134-I175 HydrophobicContact CB-CD1 4.26Å; L134-I175 HydrophobicContact CB-CG2 3.91Å; L134-I175 HydrophobicContact CD1-CG2 4.02Å; L134-I175 HydrophobicContact CD2-CG2 4.08Å; L134-I175 HydrophobicContact CG-CG2 4.23Å; F164-I175 HydrophobicContact CD2-CG1 4.17Å; F164-I175 HydrophobicContact CE2-CB 4.36Å; F164-I175 HydrophobicContact CE2-CG1 3.83Å; F164-I175 HydrophobicContact CE2-CG2 4.4Å; F168-I175 HydrophobicContact CD2-CD1 3.87Å; F168-I175 HydrophobicContact CD2-CG1 3.92Å; F168-I175 HydrophobicContact CE2-CD1 4.4Å; F168-I175 HydrophobicContact CE2-CG1 4.1Å; T173-I175 VanDerWaalsContact C-N 3.26Å; T173-I175 PolarHBondContact O-N 3.19Å; T173-I175 VanDerWaalsContact O-N 3.17Å; I175-D177 VanDerWaalsContact C-N 3.32Å; I175-D177 PolarHBondContact O-N 3.34Å; I175-W178 PolarHBondContact O-N 3.49Å; I175-L179 HydrophobicContact CG2-CD1 3.85Å; I175-L179 HydrophobicContact CG2-CG 4.36Å; I175-L179 VanDerWaalsContact O-CG 3.29Å; I175-L179 WeakPolarHBondContact O-CG 3.13Å; I175-L179 PolarHBondContact O-N 3.2Å
176E85.1Confident82.7Confident36 Ų3664.5 Ų64.517%0.16835%0.345CS..Hα-helixtrans-64.4-39.4-178.5-65.279.1-179.800111Y125 K132 T173 L179 K180Y125-E176 PolarHBondContact OH-OE1 2.86Å; K132-E176 IonicContact NZ-OE1 2.77Å; K132-E176 PolarHBondContact NZ-OE1 3.22Å; K132-E176 IonicContact NZ-OE2 2.63Å; K132-E176 PolarHBondContact NZ-OE2 2.99Å; T173-E176 VanDerWaalsContact C-OE2 3.29Å; T173-E176 WeakPolarHBondContact CA-OE2 3.31Å; T173-E176 PolarHBondContact O-N 3.05Å; T173-E176 VanDerWaalsContact O-N 3.1Å; E176-L179 PolarHBondContact O-N 3.11Å; E176-K180 VanDerWaalsContact O-CG 3.25Å; E176-K180 WeakPolarHBondContact O-CG 3.18Å; E176-K180 PolarHBondContact O-N 2.82Å
177D85.3Confident82.6Confident62 Ų6265.8 Ų65.833%0.33235%0.354SS..Hα-helixtrans-68.5-39.4176.8-64-27.4000111.2T173 I175 K180 N181T173-D177 WeakPolarHBondContact CB-OD2 3.49Å; T173-D177 WeakPolarHBondContact O-CB 3.29Å; T173-D177 PolarHBondContact O-N 3.11Å; T173-D177 PolarHBondContact OG1-OD2 3Å; I175-D177 VanDerWaalsContact C-N 3.32Å; I175-D177 PolarHBondContact O-N 3.34Å; D177-K180 PolarHBondContact O-N 3.11Å; D177-K180 IonicContact OD1-NZ 3.39Å; D177-K180 PolarHBondContact OD1-NZ 2.89Å; D177-N181 PolarHBondContact O-N 3.39Å; D177-N181 PolarHBondContact O-ND2 3.28Å
178W85.4Confident82.3Confident54 Ų5468.4 Ų68.421%0.20537%0.366CS..Hα-helixtrans-63.6-40.7172.6-175.684.3000112.7L121 L134 V163 F164 T174 I175 N181 G183L121-W178 HydrophobicContact CD1-CH2 4.3Å; L121-W178 HydrophobicContact CD1-CZ3 3.87Å; L134-W178 HydrophobicContact CD2-CE3 3.73Å; L134-W178 HydrophobicContact CD2-CH2 4.43Å; L134-W178 HydrophobicContact CD2-CZ3 3.56Å; V163-W178 HydrophobicContact CG1-CH2 4.04Å; V163-W178 HydrophobicContact CG1-CZ2 4.04Å; F164-W178 HydrophobicContact CE1-CB 4.44Å; F164-W178 HydrophobicContact CE1-CG 4.21Å; F164-W178 HydrophobicContact CE2-CD2 4.46Å; F164-W178 HydrophobicContact CZ-CB 3.69Å; F164-W178 AromaticContact CZ-CD2 3.87Å; F164-W178 HydrophobicContact CZ-CD2 3.87Å; F164-W178 HydrophobicContact CZ-CE3 4.42Å; F164-W178 AromaticContact CZ-CG 3.56Å; F164-W178 HydrophobicContact CZ-CG 3.56Å; T174-W178 WeakPolarHBondContact O-CB 2.99Å; T174-W178 PolarHBondContact O-N 3.37Å; T174-W178 VanDerWaalsContact O-N 3.14Å; I175-W178 PolarHBondContact O-N 3.49Å; W178-N181 PolarHBondContact O-N 3.2Å; W178-G183 VanDerWaalsContact CH2-CA 3.45Å; W178-G183 VanDerWaalsContact CZ2-C 3.41Å; W178-G183 WeakPolarHBondContact CZ2-O 3.43Å; W178-G183 PolarHBondContact NE1-O 2.69Å; W178-G183 WeakPolarHBondContact O-CA 3.24Å; W178-G183 PolarHBondContact O-N 2.84Å
179L84.4Confident81.9Confident3 Ų370.8 Ų70.82%0.01638%0.38CS..Hα-helixtrans-64.6-42.4176.1-72.3166.1000111.6Y11 W19 L121 L134 I175 E176 N181 G182Y11-L179 HydrophobicContact CD1-CD1 3.83Å; Y11-L179 HydrophobicContact CD1-CD2 4.26Å; Y11-L179 HydrophobicContact CD1-CG 4.48Å; Y11-L179 HydrophobicContact CD2-CD1 4.12Å; Y11-L179 HydrophobicContact CE1-CD1 3.73Å; Y11-L179 HydrophobicContact CE2-CD1 4.04Å; Y11-L179 HydrophobicContact CG-CD1 4.02Å; Y11-L179 HydrophobicContact CG-CD2 4.28Å; W19-L179 HydrophobicContact CB-CB 4.27Å; W19-L179 HydrophobicContact CB-CD2 3.65Å; W19-L179 HydrophobicContact CD2-CD2 4.47Å; W19-L179 HydrophobicContact CG-CD2 3.81Å; L121-L179 HydrophobicContact CD1-CD2 4.03Å; L134-L179 HydrophobicContact CD1-CD1 4.4Å; L134-L179 HydrophobicContact CD1-CD2 4.47Å; L134-L179 HydrophobicContact CD2-CD2 4.3Å; I175-L179 HydrophobicContact CG2-CD1 3.85Å; I175-L179 HydrophobicContact CG2-CG 4.36Å; I175-L179 VanDerWaalsContact O-CG 3.29Å; I175-L179 WeakPolarHBondContact O-CG 3.13Å; I175-L179 PolarHBondContact O-N 3.2Å; E176-L179 PolarHBondContact O-N 3.11Å; L179-N181 VanDerWaalsContact C-N 3.28Å; L179-N181 PolarHBondContact O-N 2.8Å; L179-G182 PolarHBondContact O-N 2.96Å; L179-G182 VanDerWaalsContact O-N 3.11Å
180K79.8Confident81.5Confident150 Ų15068.9 Ų68.965%0.65237%0.37SS*.Hα-helixtrans-62-34.8175.5-73.6168.7-168.7164.30112.6E176 D177 G182E176-K180 VanDerWaalsContact O-CG 3.25Å; E176-K180 WeakPolarHBondContact O-CG 3.18Å; E176-K180 PolarHBondContact O-N 2.82Å; D177-K180 PolarHBondContact O-N 3.11Å; D177-K180 IonicContact OD1-NZ 3.39Å; D177-K180 PolarHBondContact OD1-NZ 2.89Å; K180-G182 PolarHBondContact O-N 2.9Å
181N80.2Confident81.5Confident112 Ų11272.1 Ų72.160%0.59938%0.378SS*.THydrogen-bonded Turntrans-81.313.2177-66.9-29.1000113.5D177 W178 L179 G183 K184D177-N181 PolarHBondContact O-N 3.39Å; D177-N181 PolarHBondContact O-ND2 3.28Å; W178-N181 PolarHBondContact O-N 3.2Å; L179-N181 VanDerWaalsContact C-N 3.28Å; L179-N181 PolarHBondContact O-N 2.8Å; N181-G183 VanDerWaalsContact C-N 3.31Å; N181-G183 PolarHBondContact O-N 2.77Å; N181-K184 WeakPolarHBondContact CB-O 3.44Å
182G76.8Confident81.3Confident23 Ų2366 Ų6624%0.23735%0.345CS..THydrogen-bonded Turntrans74.221.6176.500000113.7L179 K180L179-G182 PolarHBondContact O-N 2.96Å; L179-G182 VanDerWaalsContact O-N 3.11Å; K180-G182 PolarHBondContact O-N 2.9Å
183G72Confident80.9Confident20 Ų2068.9 Ų68.921%0.20636%0.356CS..  trans81.532.2-178.300000114W178 N181W178-G183 VanDerWaalsContact CH2-CA 3.45Å; W178-G183 VanDerWaalsContact CZ2-C 3.41Å; W178-G183 WeakPolarHBondContact CZ2-O 3.43Å; W178-G183 PolarHBondContact NE1-O 2.69Å; W178-G183 WeakPolarHBondContact O-CA 3.24Å; W178-G183 PolarHBondContact O-N 2.84Å; N181-G183 VanDerWaalsContact C-N 3.31Å; N181-G183 PolarHBondContact O-N 2.77Å
184K64.7Low80.5Confident221 Ų22167.8 Ų67.896%0.96134%0.343SS*.  trans-127.70179.1-65.9-175.9-179.4179.90111.1N181N181-K184 WeakPolarHBondContact CB-O 3.44Å

Retrieved 184 of 184 residues in 1068.5 ms (Link to these results)

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