A0A3Q0KBS0_SCHMA Loading...

Serine/threonine-protein phosphatase

AlphaFold DB (Q3ZFF5), UniProt , Accession A0A3Q0KBS0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 327 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M33.8Very low68.9Low247 Ų247103.8 Ų103.8100%1.21760%0.598SS**  085.70-65.6-166.9-103.900107.9
2A37.7Very low71.3Confident105 Ų10595.2 Ų95.287%0.86855%0.549SS*.  trans-9499.6170.700000105.6D4A2-D4 PolarHBondContact O-N 3.3Å
3G40.4Very low73.3Confident67 Ų6789.2 Ų89.269%0.69151%0.513SS*.  trans-56.5129171.400000108.4D5G3-D5 PolarHBondContact O-N 3.04Å
4D46.5Very low75.1Confident124 Ų12485.6 Ų85.666%0.66351%0.506SS*.  trans-64.475.4175.8-169.321.1000108.8A2 K6A2-D4 PolarHBondContact O-N 3.3Å; D4-K6 PolarHBondContact O-N 3.32Å; D4-K6 WeakPolarHBondContact OD1-CG 3.5Å; D4-K6 WeakPolarHBondContact OD2-CE 3.4Å; D4-K6 WeakPolarHBondContact OD2-CG 3.48Å; D4-K6 IonicContact OD2-NZ 3.6Å
5D54.2Low76.5Confident130 Ų13083.9 Ų83.970%0.69549%0.487SS*.  trans-6877.3163.3-86.3-13.6000106.5G3 V7 T33G3-D5 PolarHBondContact O-N 3.04Å; D5-V7 PolarHBondContact O-N 3.43Å; D5-T33 HydrophobicContact CB-CG2 4.48Å
6K73.7Confident77.9Confident165 Ų16578.7 Ų78.772%0.71746%0.457SS*.  trans-55.4107.5175.9-71.3-172.9-178.2-177.50107.8D4 N8D4-K6 PolarHBondContact O-N 3.32Å; D4-K6 WeakPolarHBondContact OD1-CG 3.5Å; D4-K6 WeakPolarHBondContact OD2-CE 3.4Å; D4-K6 WeakPolarHBondContact OD2-CG 3.48Å; D4-K6 IonicContact OD2-NZ 3.6Å; K6-N8 PolarHBondContact O-N 2.67Å; K6-N8 VanDerWaalsContact O-N 3.15Å
7V85.9Confident79Confident31 Ų3175.9 Ų75.919%0.18844%0.44CS..  trans-57.6122.1174178.30000108.1D5 I9 V12 L38D5-V7 PolarHBondContact O-N 3.43Å; V7-I9 VanDerWaalsContact C-N 3.34Å; V7-I9 HydrophobicContact CB-CD1 4.22Å; V7-I9 HydrophobicContact CG1-CD1 3.9Å; V7-I9 PolarHBondContact O-N 2.87Å; V7-V12 HydrophobicContact CG1-CG2 3.85Å; V7-L38 HydrophobicContact CG1-CD2 4.47Å
8N94.7Very high79.9Confident101 Ų10179.2 Ų79.254%0.5445%0.45SS..  trans-74.790.9173.1-175.7-24.8000109K6 D10 S11 V12K6-N8 PolarHBondContact O-N 2.67Å; K6-N8 VanDerWaalsContact O-N 3.15Å; N8-D10 VanDerWaalsContact C-N 3.28Å; N8-D10 PolarHBondContact O-N 3.4Å; N8-D10 PolarHBondContact OD1-N 3.35Å; N8-S11 WeakPolarHBondContact O-CB 3.44Å; N8-S11 PolarHBondContact O-N 3.45Å; N8-S11 PolarHBondContact OD1-N 3.04Å; N8-V12 WeakPolarHBondContact O-CG2 3.37Å; N8-V12 PolarHBondContact O-N 3.45Å; N8-V12 VanDerWaalsContact O-N 3.07Å
9I96.8Very high80.7Confident26 Ų2675.4 Ų75.413%0.13343%0.429CS..Hα-helixtrans-58.1-39.7-175.8-57.9-62000111.7V7 S11 V12 I13 L38 A109 I112 K113V7-I9 VanDerWaalsContact C-N 3.34Å; V7-I9 HydrophobicContact CB-CD1 4.22Å; V7-I9 HydrophobicContact CG1-CD1 3.9Å; V7-I9 PolarHBondContact O-N 2.87Å; I9-S11 PolarHBondContact O-N 2.8Å; I9-V12 PolarHBondContact O-N 3.21Å; I9-I13 HydrophobicContact CG2-CD1 3.79Å; I9-I13 HydrophobicContact CG2-CG1 4.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.47Å; I9-I13 PolarHBondContact O-N 3.45Å; I9-L38 HydrophobicContact CD1-CD2 3.67Å; I9-A109 HydrophobicContact CG2-CB 4.41Å; I9-I112 HydrophobicContact CD1-CB 4.28Å; I9-I112 HydrophobicContact CD1-CD1 3.89Å; I9-I112 HydrophobicContact CD1-CG2 3.82Å; I9-I112 HydrophobicContact CG1-CG2 3.78Å; I9-K113 HydrophobicContact CG2-CB 4.1Å; I9-K113 HydrophobicContact CG2-CD 4.49Å
10D97.2Very high81.2Confident91 Ų9176.4 Ų76.449%0.48743%0.425SS..Hα-helixtrans-65.8-38.9-179.9-67.5-25000111.9N8 G14 K113N8-D10 VanDerWaalsContact C-N 3.28Å; N8-D10 PolarHBondContact O-N 3.4Å; N8-D10 PolarHBondContact OD1-N 3.35Å; D10-G14 PolarHBondContact O-N 2.94Å; D10-K113 WeakPolarHBondContact OD1-CD 3.25Å; D10-K113 WeakPolarHBondContact OD1-CE 3.14Å; D10-K113 IonicContact OD1-NZ 3.64Å; D10-K113 PolarHBondContact OD1-NZ 3.19Å; D10-K113 IonicContact OD2-NZ 3.79Å; D10-K113 PolarHBondContact OD2-NZ 3.49Å
11S97Very high81.5Confident55 Ų5583 Ų8339%0.38544%0.444SS..Hα-helixtrans-65.9-38.4173.5175.40000112.7N8 I9 R15N8-S11 WeakPolarHBondContact O-CB 3.44Å; N8-S11 PolarHBondContact O-N 3.45Å; N8-S11 PolarHBondContact OD1-N 3.04Å; I9-S11 PolarHBondContact O-N 2.8Å; S11-R15 PolarHBondContact O-N 2.86Å; S11-R15 PolarHBondContact O-NE 3.12Å
12V97.5Very high84.2Confident0 Ų073.3 Ų73.30%040%0.399CS..Hα-helixtrans-65.6-49.6176171.70000110.8V7 N8 I9 G14 R15 L16 M30 E34 L38 A109V7-V12 HydrophobicContact CG1-CG2 3.85Å; N8-V12 WeakPolarHBondContact O-CG2 3.37Å; N8-V12 PolarHBondContact O-N 3.45Å; N8-V12 VanDerWaalsContact O-N 3.07Å; I9-V12 PolarHBondContact O-N 3.21Å; V12-G14 VanDerWaalsContact C-N 3.35Å; V12-G14 PolarHBondContact O-N 2.81Å; V12-R15 PolarHBondContact O-N 3.24Å; V12-L16 HydrophobicContact CG1-CD1 3.73Å; V12-L16 WeakPolarHBondContact O-CB 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.32Å; V12-L16 PolarHBondContact O-N 3.46Å; V12-M30 HydrophobicContact CG1-SD 4.39Å; V12-E34 HydrophobicContact CG2-CB 4.49Å; V12-E34 HydrophobicContact CG2-CG 4.48Å; V12-L38 HydrophobicContact CG1-CD1 4.1Å; V12-L38 HydrophobicContact CG1-CD2 4.38Å; V12-A109 HydrophobicContact CG1-CB 4.42Å
13I98.1Very high86.7Confident17 Ų1778.9 Ų78.99%0.08740%0.397CS..Hα-helixtrans-59.2-46.9177-67.7172.5000110.2I9 R15 L16 L17 A109 Y110 K113I9-I13 HydrophobicContact CG2-CD1 3.79Å; I9-I13 HydrophobicContact CG2-CG1 4.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.47Å; I9-I13 PolarHBondContact O-N 3.45Å; I13-R15 PolarHBondContact O-N 2.9Å; I13-L16 PolarHBondContact O-N 3.06Å; I13-L17 HydrophobicContact CG2-CD1 3.68Å; I13-L17 HydrophobicContact CG2-CG 4.11Å; I13-L17 WeakPolarHBondContact O-CG 3.34Å; I13-L17 PolarHBondContact O-N 2.93Å; I13-A109 HydrophobicContact CD1-CB 4.18Å; I13-A109 HydrophobicContact CG1-CB 3.64Å; I13-Y110 HydrophobicContact CD1-CD1 4.06Å; I13-Y110 HydrophobicContact CD1-CE1 4.21Å; I13-Y110 HydrophobicContact CG2-CE1 4.09Å; I13-K113 HydrophobicContact CD1-CB 3.99Å; I13-K113 HydrophobicContact CD1-CG 4.21Å
14G97.5Very high89.1Confident40 Ų4080.2 Ų80.241%0.41239%0.394SS..Hα-helixtrans-54.8-47.9179.200000113.1D10 V12 L17 E18D10-G14 PolarHBondContact O-N 2.94Å; V12-G14 VanDerWaalsContact C-N 3.35Å; V12-G14 PolarHBondContact O-N 2.81Å; G14-L17 PolarHBondContact O-N 3.11Å; G14-E18 PolarHBondContact O-N 3.27Å
15R97.1Very high91.3Very high60 Ų6076.4 Ų76.423%0.22638%0.384CS..Hα-helixtrans-65.7-40177-79.1-179.7-68.9153.5-8.4113.3S11 V12 I13 L17 E18 V28 Q29 E34S11-R15 PolarHBondContact O-N 2.86Å; S11-R15 PolarHBondContact O-NE 3.12Å; V12-R15 PolarHBondContact O-N 3.24Å; I13-R15 PolarHBondContact O-N 2.9Å; R15-L17 VanDerWaalsContact C-N 3.34Å; R15-E18 PolarHBondContact O-N 2.77Å; R15-V28 HydrophobicContact CB-CG1 4.09Å; R15-Q29 PolarHBondContact NH1-O 3.24Å; R15-E34 IonicContact CZ-OE1 2.79Å; R15-E34 IonicContact CZ-OE2 3.42Å; R15-E34 IonicContact NH1-OE1 3.73Å; R15-E34 PolarHBondContact NH1-OE1 3.21Å; R15-E34 IonicContact NH1-OE2 3.42Å; R15-E34 PolarHBondContact NH1-OE2 2.93Å; R15-E34 IonicContact NH2-OE1 3.95Å; R15-E34 PolarHBondContact NH2-OE1 3.37Å; R15-E34 IonicContact NH2-OE2 2.66Å; R15-E34 PolarHBondContact NH2-OE2 2.93Å
16L97.8Very high93.3Very high0 Ų075.6 Ų75.60%037%0.374CS..Hα-helixtrans-62.2-44176.5-78.5165.4000110.4V12 I13 E18 V19 V28 M30 Y69 E102 C105 L106V12-L16 HydrophobicContact CG1-CD1 3.73Å; V12-L16 WeakPolarHBondContact O-CB 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.32Å; V12-L16 PolarHBondContact O-N 3.46Å; I13-L16 PolarHBondContact O-N 3.06Å; L16-E18 PolarHBondContact O-N 2.89Å; L16-V19 WeakPolarHBondContact O-CG2 3.47Å; L16-V28 HydrophobicContact CD2-CB 4.05Å; L16-V28 HydrophobicContact CD2-CG1 4.04Å; L16-V28 HydrophobicContact CD2-CG2 4.15Å; L16-V28 HydrophobicContact CG-CG1 4.29Å; L16-M30 HydrophobicContact CD1-SD 4.14Å; L16-M30 HydrophobicContact CD2-CE 4.07Å; L16-M30 HydrophobicContact CD2-SD 3.95Å; L16-M30 HydrophobicContact CG-SD 4.18Å; L16-Y69 WeakPolarHBondContact CA-OH 3.16Å; L16-Y69 WeakPolarHBondContact CB-OH 3.21Å; L16-Y69 PolarHBondContact O-OH 3Å; L16-E102 HydrophobicContact CD2-CB 4.18Å; L16-E102 HydrophobicContact CD2-CG 4.2Å; L16-C105 HydrophobicContact CD1-CB 4.2Å; L16-L106 HydrophobicContact CB-CD1 4.07Å; L16-L106 HydrophobicContact CD1-CB 4.07Å; L16-L106 HydrophobicContact CD1-CD1 4.23Å
17L97.7Very high94.3Very high31 Ų3170.7 Ų70.716%0.16236%0.356CS..Hα-helixtrans-76.1-20.6179.8-62.6-178.9000114.3I13 G14 R15 V19 R20 L73 F81 L106 Y110I13-L17 HydrophobicContact CG2-CD1 3.68Å; I13-L17 HydrophobicContact CG2-CG 4.11Å; I13-L17 WeakPolarHBondContact O-CG 3.34Å; I13-L17 PolarHBondContact O-N 2.93Å; G14-L17 PolarHBondContact O-N 3.11Å; R15-L17 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 2.84Å; L17-R20 WeakPolarHBondContact O-CB 3.44Å; L17-R20 WeakPolarHBondContact O-CD 3.4Å; L17-R20 WeakPolarHBondContact O-CG 3.35Å; L17-R20 PolarHBondContact O-N 3.3Å; L17-L73 HydrophobicContact CD2-CD2 3.73Å; L17-F81 HydrophobicContact CD1-CD1 4.49Å; L17-F81 HydrophobicContact CD2-CD1 4.17Å; L17-F81 HydrophobicContact CD2-CE1 3.66Å; L17-L106 HydrophobicContact CD2-CD1 4.15Å; L17-L106 HydrophobicContact CD2-CD2 4.09Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.32Å
18E95.2Very high94.8Very high135 Ų13569.5 Ų69.563%0.63135%0.349SS*.Hα-helixtrans-59.3-32.7-178.3-167.1-175.9165.700112.4G14 R15 L16 R20G14-E18 PolarHBondContact O-N 3.27Å; R15-E18 PolarHBondContact O-N 2.77Å; L16-E18 PolarHBondContact O-N 2.89Å; E18-R20 PolarHBondContact O-N 3.22Å
19V94.4Very high94.8Very high7 Ų771.9 Ų71.94%0.04236%0.356CS..G310 helixtrans-75.1-8.6-176.6-580000114.1L16 L17 R21 T22 K26 V28 Y69 Y70 L73L16-V19 WeakPolarHBondContact O-CG2 3.47Å; L17-V19 PolarHBondContact O-N 2.84Å; V19-R21 PolarHBondContact O-N 3.25Å; V19-R21 VanDerWaalsContact O-N 3.11Å; V19-T22 WeakPolarHBondContact O-CA 3.43Å; V19-T22 WeakPolarHBondContact O-CB 3.45Å; V19-T22 PolarHBondContact O-N 2.99Å; V19-T22 PolarHBondContact O-OG1 3.31Å; V19-K26 HydrophobicContact CG1-CD 4.06Å; V19-K26 HydrophobicContact CG1-CG 4.36Å; V19-V28 HydrophobicContact CB-CG2 4.41Å; V19-V28 HydrophobicContact CG1-CG2 3.69Å; V19-V28 HydrophobicContact CG2-CG2 3.8Å; V19-Y69 HydrophobicContact CG2-CD1 4.49Å; V19-Y69 HydrophobicContact CG2-CE1 3.69Å; V19-Y70 WeakPolarHBondContact O-CE1 3.44Å; V19-L73 HydrophobicContact CG2-CD1 4.33Å
20R90.9Very high94.7Very high96 Ų9671 Ų7136%0.36235%0.352SS..G310 helixtrans-54.9-31.5178.375.5-171.4170.3161.1-4.8113.5L17 E18 T22 L73L17-R20 WeakPolarHBondContact O-CB 3.44Å; L17-R20 WeakPolarHBondContact O-CD 3.4Å; L17-R20 WeakPolarHBondContact O-CG 3.35Å; L17-R20 PolarHBondContact O-N 3.3Å; E18-R20 PolarHBondContact O-N 3.22Å; R20-T22 VanDerWaalsContact C-N 3.34Å; R20-L73 HydrophobicContact CB-CD1 4.01Å
21R86.7Confident94.7Very high215 Ų21569.3 Ų69.381%0.81135%0.347SS*.G310 helixtrans-91.54.6179-59.8-174.6179168.2-1.9113.3V19V19-R21 PolarHBondContact O-N 3.25Å; V19-R21 VanDerWaalsContact O-N 3.11Å
22T90.3Very high94.7Very high44 Ų4469.5 Ų69.527%0.2734%0.342SS..SBendtrans-105.9170.3-177.575.30000111V19 R20 K26 Y70V19-T22 WeakPolarHBondContact O-CA 3.43Å; V19-T22 WeakPolarHBondContact O-CB 3.45Å; V19-T22 PolarHBondContact O-N 2.99Å; V19-T22 PolarHBondContact O-OG1 3.31Å; R20-T22 VanDerWaalsContact C-N 3.34Å; T22-K26 HydrophobicContact CG2-CD 4.09Å; T22-Y70 PolarHBondContact OG1-OH 2.84Å
23R90.5Very high94.7Very high221 Ų22173.4 Ų73.483%0.83437%0.366SS*.  trans-60.4130.8177.8-177.7-179.8176.7-179.3-0.2110.2G25 K26 Y70R23-G25 PolarHBondContact O-N 2.86Å; R23-K26 PolarHBondContact O-N 2.87Å; R23-Y70 PolarHBondContact O-OH 2.98Å
24P92.1Very high94.7Very high96 Ų9674.7 Ų74.762%0.62337%0.372SS*.THydrogen-bonded Turntrans-48134.3174.1-30.736.3000113.5Y70P24-Y70 VanDerWaalsContact CA-CE1 3.48Å; P24-Y70 HydrophobicContact CB-CD1 3.93Å; P24-Y70 HydrophobicContact CB-CD2 4.25Å; P24-Y70 HydrophobicContact CB-CE1 4.3Å; P24-Y70 HydrophobicContact CB-CG 3.89Å; P24-Y70 HydrophobicContact CG-CD1 3.93Å; P24-Y70 HydrophobicContact CG-CE1 4.34Å; P24-Y70 HydrophobicContact CG-CG 4.32Å
25G92.4Very high94.7Very high44 Ų4472.8 Ų72.845%0.45435%0.352SS..THydrogen-bonded Turntrans99-3.6-176.300000115.7R23 N27R23-G25 PolarHBondContact O-N 2.86Å; G25-N27 PolarHBondContact O-N 2.86Å
26K94.9Very high94.8Very high113 Ų11373.8 Ų73.849%0.49136%0.356SS..PPolyproline II helixtrans-67123.6172.7-172.4-177176.4-172.60109.5V19 T22 R23 Y70 Q99V19-K26 HydrophobicContact CG1-CD 4.06Å; V19-K26 HydrophobicContact CG1-CG 4.36Å; T22-K26 HydrophobicContact CG2-CD 4.09Å; R23-K26 PolarHBondContact O-N 2.87Å; K26-Y70 WeakPolarHBondContact CB-OH 3.38Å; K26-Y70 PolarHBondContact N-OH 2.79Å; K26-Y70 PolarHBondContact O-OH 3.26Å; K26-Q99 PolarHBondContact O-NE2 3.48Å
27N96.2Very high94.8Very high62 Ų6274.7 Ų74.733%0.33237%0.365SS..PPolyproline II helixtrans-74.1151.4174.9-67.3-19.5000111.4G25 Q99 E102G25-N27 PolarHBondContact O-N 2.86Å; N27-Q99 PolarHBondContact OD1-NE2 3.44Å; N27-E102 VanDerWaalsContact CA-OE1 3.25Å; N27-E102 WeakPolarHBondContact CA-OE1 3.5Å; N27-E102 WeakPolarHBondContact CB-OE1 3.35Å
28V96.6Very high94.8Very high6 Ų673.2 Ų73.24%0.03636%0.357CS..PPolyproline II helixtrans-101.3129.2173.6-177.50000108.6R15 L16 V19 M30 Y69 E102 R143R15-V28 HydrophobicContact CB-CG1 4.09Å; L16-V28 HydrophobicContact CD2-CB 4.05Å; L16-V28 HydrophobicContact CD2-CG1 4.04Å; L16-V28 HydrophobicContact CD2-CG2 4.15Å; L16-V28 HydrophobicContact CG-CG1 4.29Å; V19-V28 HydrophobicContact CB-CG2 4.41Å; V19-V28 HydrophobicContact CG1-CG2 3.69Å; V19-V28 HydrophobicContact CG2-CG2 3.8Å; V28-M30 HydrophobicContact CG1-CG 4.32Å; V28-M30 PolarHBondContact O-N 2.91Å; V28-Y69 HydrophobicContact CG2-CE1 4.43Å; V28-E102 HydrophobicContact CB-CG 3.94Å; V28-E102 HydrophobicContact CG2-CG 3.93Å; V28-E102 PolarHBondContact N-OE1 3.04Å; V28-R143 PolarHBondContact O-NH2 3.2Å
29Q93Very high95Very high151 Ų15166.8 Ų66.871%0.70633%0.327SS*.  trans-82.3110.7177.9-63.7-62.6-26.100109.6R15R15-Q29 PolarHBondContact NH1-O 3.24Å
30M95.8Very high95.2Very high7 Ų770.9 Ų70.93%0.03435%0.348CS..  trans-120.3141170.9-64.2174.4-71.700108.3V12 L16 V28 E34 I35 C105 Y144V12-M30 HydrophobicContact CG1-SD 4.39Å; L16-M30 HydrophobicContact CD1-SD 4.14Å; L16-M30 HydrophobicContact CD2-CE 4.07Å; L16-M30 HydrophobicContact CD2-SD 3.95Å; L16-M30 HydrophobicContact CG-SD 4.18Å; V28-M30 HydrophobicContact CG1-CG 4.32Å; V28-M30 PolarHBondContact O-N 2.91Å; M30-E34 WeakPolarHBondContact CA-OE2 3.2Å; M30-I35 HydrophobicContact CB-CD1 4.05Å; M30-I35 HydrophobicContact CB-CG1 3.88Å; M30-I35 HydrophobicContact CE-CD1 4.27Å; M30-I35 HydrophobicContact CE-CG1 4.41Å; M30-I35 HydrophobicContact SD-CG1 4.4Å; M30-C105 HydrophobicContact CE-CB 3.71Å; M30-C105 HydrophobicContact SD-CB 3.73Å; M30-Y144 VanDerWaalsContact O-CE1 3.24Å; M30-Y144 WeakPolarHBondContact O-CE1 3.47Å; M30-Y144 PolarHBondContact O-OH 2.9Å
31S96.8Very high95.5Very high55 Ų5570.9 Ų70.939%0.38535%0.351SS..  trans-72.7155.2173.3720000110.8T33 E34 I35S31-T33 PolarHBondContact O-N 2.96Å; S31-E34 PolarHBondContact N-OE2 2.81Å; S31-E34 PolarHBondContact O-N 3Å; S31-E34 WeakPolarHBondContact OG-CG 3.26Å; S31-E34 PolarHBondContact OG-N 2.9Å; S31-E34 VanDerWaalsContact OG-N 3.16Å; S31-E34 PolarHBondContact OG-OE2 3.07Å; S31-I35 PolarHBondContact O-N 3.36Å; S31-I35 VanDerWaalsContact O-N 3.16Å
32E97.4Very high96.1Very high59 Ų5960.7 Ų60.728%0.27631%0.312SS..Hα-helixtrans-57.9-37.8174.1-175.9-177.4153.900111.5E34 I35 R36 Y144 N145 L148E32-E34 PolarHBondContact O-N 3.43Å; E32-I35 PolarHBondContact O-N 3.43Å; E32-R36 HydrophobicContact CG-CG 4.25Å; E32-R36 WeakPolarHBondContact O-CB 3.42Å; E32-R36 VanDerWaalsContact O-CG 3.26Å; E32-R36 WeakPolarHBondContact O-CG 3.26Å; E32-R36 PolarHBondContact O-N 2.94Å; E32-Y144 HydrophobicContact CB-CD1 4.26Å; E32-N145 PolarHBondContact OE1-ND2 2.84Å; E32-N145 PolarHBondContact OE2-ND2 2.76Å; E32-L148 HydrophobicContact CG-CD1 4.23Å
33T97.1Very high96.5Very high83 Ų8362.2 Ų62.251%0.50931%0.313SS..Hα-helixtrans-60.6-43.9177.3-54.90000111.7D5 S31 R36 G37D5-T33 HydrophobicContact CB-CG2 4.48Å; S31-T33 PolarHBondContact O-N 2.96Å; T33-R36 PolarHBondContact O-N 3.13Å; T33-G37 PolarHBondContact O-N 3.28Å
34E97.7Very high96.9Very high44 Ų4456.7 Ų56.721%0.20630%0.297CS..Hα-helixtrans-61.5-49.4176.9-72.9168.2148.500111.5V12 R15 M30 S31 E32 R36 G37 L38V12-E34 HydrophobicContact CG2-CB 4.49Å; V12-E34 HydrophobicContact CG2-CG 4.48Å; R15-E34 IonicContact CZ-OE1 2.79Å; R15-E34 IonicContact CZ-OE2 3.42Å; R15-E34 IonicContact NH1-OE1 3.73Å; R15-E34 PolarHBondContact NH1-OE1 3.21Å; R15-E34 IonicContact NH1-OE2 3.42Å; R15-E34 PolarHBondContact NH1-OE2 2.93Å; R15-E34 IonicContact NH2-OE1 3.95Å; R15-E34 PolarHBondContact NH2-OE1 3.37Å; R15-E34 IonicContact NH2-OE2 2.66Å; R15-E34 PolarHBondContact NH2-OE2 2.93Å; M30-E34 WeakPolarHBondContact CA-OE2 3.2Å; S31-E34 PolarHBondContact N-OE2 2.81Å; S31-E34 PolarHBondContact O-N 3Å; S31-E34 WeakPolarHBondContact OG-CG 3.26Å; S31-E34 PolarHBondContact OG-N 2.9Å; S31-E34 VanDerWaalsContact OG-N 3.16Å; S31-E34 PolarHBondContact OG-OE2 3.07Å; E32-E34 PolarHBondContact O-N 3.43Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.17Å; E34-G37 PolarHBondContact O-N 2.97Å; E34-L38 WeakPolarHBondContact O-CG 3.42Å; E34-L38 PolarHBondContact O-N 3.05Å
35I98.3Very high97.2Very high0 Ų053 Ų530%027%0.272CS..Hα-helixtrans-64-41.5-178.9-60174.9000111M30 S31 E32 G37 L38 C39 Y144 L148 F152M30-I35 HydrophobicContact CB-CD1 4.05Å; M30-I35 HydrophobicContact CB-CG1 3.88Å; M30-I35 HydrophobicContact CE-CD1 4.27Å; M30-I35 HydrophobicContact CE-CG1 4.41Å; M30-I35 HydrophobicContact SD-CG1 4.4Å; S31-I35 PolarHBondContact O-N 3.36Å; S31-I35 VanDerWaalsContact O-N 3.16Å; E32-I35 PolarHBondContact O-N 3.43Å; I35-G37 VanDerWaalsContact C-N 3.33Å; I35-G37 PolarHBondContact O-N 3.36Å; I35-L38 WeakPolarHBondContact O-CB 3.45Å; I35-L38 PolarHBondContact O-N 3.43Å; I35-C39 PolarHBondContact O-N 3.36Å; I35-C39 PolarHBondContact O-SG 2.88Å; I35-Y144 HydrophobicContact CD1-CD1 4.48Å; I35-Y144 HydrophobicContact CD1-CD2 4.25Å; I35-Y144 HydrophobicContact CD1-CE1 3.83Å; I35-Y144 HydrophobicContact CD1-CE2 3.56Å; I35-Y144 WeakPolarHBondContact CD1-OH 3.38Å; I35-L148 HydrophobicContact CB-CD1 4.1Å; I35-L148 HydrophobicContact CB-CD2 4.42Å; I35-L148 HydrophobicContact CD1-CD2 4.07Å; I35-L148 HydrophobicContact CG2-CD1 3.77Å; I35-L148 HydrophobicContact CG2-CD2 4.12Å; I35-L148 HydrophobicContact CG2-CG 4.29Å; I35-F152 HydrophobicContact CG2-CE1 4.17Å; I35-F152 HydrophobicContact CG2-CE2 3.6Å; I35-F152 HydrophobicContact CG2-CZ 3.25Å
36R98.2Very high97.5Very high81 Ų8151 Ų5131%0.30625%0.25SS..Hα-helixtrans-62.4-41.8175.6-72.7-178.466.3-167.7-11.7111.4E32 T33 E34 C39 L40 L148 T151E32-R36 HydrophobicContact CG-CG 4.25Å; E32-R36 WeakPolarHBondContact O-CB 3.42Å; E32-R36 VanDerWaalsContact O-CG 3.26Å; E32-R36 WeakPolarHBondContact O-CG 3.26Å; E32-R36 PolarHBondContact O-N 2.94Å; T33-R36 PolarHBondContact O-N 3.13Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.17Å; R36-C39 PolarHBondContact O-N 2.9Å; R36-L40 WeakPolarHBondContact O-CB 3.33Å; R36-L40 VanDerWaalsContact O-CG 3.28Å; R36-L40 WeakPolarHBondContact O-CG 3.49Å; R36-L40 PolarHBondContact O-N 2.81Å; R36-L148 HydrophobicContact CG-CD1 3.54Å; R36-T151 HydrophobicContact CG-CG2 4.25Å
37G98Very high97.6Very high18 Ų1848.6 Ų48.619%0.18624%0.243CC..Hα-helixtrans-66.8-35.517700000113.1T33 E34 I35 K41T33-G37 PolarHBondContact O-N 3.28Å; E34-G37 PolarHBondContact O-N 2.97Å; I35-G37 VanDerWaalsContact C-N 3.33Å; I35-G37 PolarHBondContact O-N 3.36Å; G37-K41 VanDerWaalsContact O-CB 3.3Å; G37-K41 WeakPolarHBondContact O-CB 3.46Å; G37-K41 PolarHBondContact O-N 2.9Å
38L98.6Very high97.8Very high0 Ų050.2 Ų50.20%026%0.259CS..Hα-helixtrans-56.8-53.9168.6-67.5176.2000110.6V7 I9 V12 E34 I35 L40 K41 S42 C105 L108 A109 I112V7-L38 HydrophobicContact CG1-CD2 4.47Å; I9-L38 HydrophobicContact CD1-CD2 3.67Å; V12-L38 HydrophobicContact CG1-CD1 4.1Å; V12-L38 HydrophobicContact CG1-CD2 4.38Å; E34-L38 WeakPolarHBondContact O-CG 3.42Å; E34-L38 PolarHBondContact O-N 3.05Å; I35-L38 WeakPolarHBondContact O-CB 3.45Å; I35-L38 PolarHBondContact O-N 3.43Å; L38-L40 PolarHBondContact O-N 2.76Å; L38-K41 PolarHBondContact O-N 2.96Å; L38-S42 WeakPolarHBondContact O-CB 3.47Å; L38-S42 PolarHBondContact O-N 2.78Å; L38-S42 PolarHBondContact O-OG 3.35Å; L38-C105 HydrophobicContact CD1-CB 3.82Å; L38-L108 HydrophobicContact CB-CB 4.43Å; L38-A109 HydrophobicContact CD2-CB 3.92Å; L38-I112 HydrophobicContact CB-CD1 4.38Å; L38-I112 HydrophobicContact CD2-CD1 3.79Å; L38-I112 WeakPolarHBondContact O-CD1 3.21Å
39C98.7Very high97.9Very high1 Ų150.7 Ų50.71%0.00726%0.261CS..Hα-helixtrans-59.7-44.7-178-65.20000112.5I35 R36 S42 R43 T151 F152 C155I35-C39 PolarHBondContact O-N 3.36Å; I35-C39 PolarHBondContact O-SG 2.88Å; R36-C39 PolarHBondContact O-N 2.9Å; C39-S42 PolarHBondContact O-OG 2.91Å; C39-R43 WeakPolarHBondContact O-CB 3.23Å; C39-R43 PolarHBondContact O-N 2.7Å; C39-T151 HydrophobicContact CB-CG2 3.7Å; C39-F152 WeakPolarHBondContact SG-CD1 3.37Å; C39-F152 WeakPolarHBondContact SG-CE1 3.38Å; C39-C155 HydrophobicContact CB-CB 4.09Å
40L98.3Very high98.1Very high92 Ų9247.6 Ų47.648%0.48225%0.253SS..Hα-helixtrans-65.8-44.6-179.6-69.2174.2000111.2R36 L38 R43 E44R36-L40 WeakPolarHBondContact O-CB 3.33Å; R36-L40 VanDerWaalsContact O-CG 3.28Å; R36-L40 WeakPolarHBondContact O-CG 3.49Å; R36-L40 PolarHBondContact O-N 2.81Å; L38-L40 PolarHBondContact O-N 2.76Å; L40-R43 WeakPolarHBondContact O-CB 3.2Å; L40-R43 PolarHBondContact O-N 2.98Å; L40-E44 WeakPolarHBondContact O-CG 3.23Å; L40-E44 PolarHBondContact O-N 2.9Å; L40-E44 VanDerWaalsContact O-N 3.12Å
41K98.3Very high98.3Very high97 Ų9747.6 Ų47.642%0.42225%0.254SS..Hα-helixtrans-71.7-41.7-178.1-170.569.5-162.41620112.6G37 L38 R43 E44 I45 I112G37-K41 VanDerWaalsContact O-CB 3.3Å; G37-K41 WeakPolarHBondContact O-CB 3.46Å; G37-K41 PolarHBondContact O-N 2.9Å; L38-K41 PolarHBondContact O-N 2.96Å; K41-R43 VanDerWaalsContact C-N 3.31Å; K41-R43 PolarHBondContact O-N 2.91Å; K41-E44 WeakPolarHBondContact CD-OE2 3.47Å; K41-E44 IonicContact NZ-OE2 2.73Å; K41-E44 PolarHBondContact NZ-OE2 2.81Å; K41-E44 WeakPolarHBondContact O-CB 3.49Å; K41-E44 PolarHBondContact O-N 3.22Å; K41-I45 WeakPolarHBondContact O-CG1 3.45Å; K41-I45 PolarHBondContact O-N 3.28Å; K41-I112 HydrophobicContact CB-CD1 3.86Å; K41-I112 HydrophobicContact CB-CG1 4.13Å; K41-I112 HydrophobicContact CG-CD1 4.17Å; K41-I112 HydrophobicContact CG-CG1 3.98Å; K41-I112 HydrophobicContact CG-CG2 3.8Å
42S98.6Very high98.4Very high0 Ų045.1 Ų45.10%024%0.236CC..Hα-helixtrans-64.4-38.4174.460.40000111.5L38 C39 E44 I45 F46 C155L38-S42 WeakPolarHBondContact O-CB 3.47Å; L38-S42 PolarHBondContact O-N 2.78Å; L38-S42 PolarHBondContact O-OG 3.35Å; C39-S42 PolarHBondContact O-OG 2.91Å; S42-E44 VanDerWaalsContact C-N 3.35Å; S42-E44 PolarHBondContact O-N 3.01Å; S42-I45 PolarHBondContact O-N 3.26Å; S42-I45 VanDerWaalsContact O-N 3.16Å; S42-F46 WeakPolarHBondContact O-CD2 3.25Å; S42-F46 VanDerWaalsContact O-CG 3.26Å; S42-F46 WeakPolarHBondContact O-CG 3.36Å; S42-F46 PolarHBondContact O-N 3.43Å; S42-C155 PolarHBondContact OG-SG 3.37Å
43R98.6Very high98.4Very high77 Ų7742.5 Ų42.529%0.29122%0.224SC..Hα-helixtrans-58.7-43.2174.8-178.8-178.7176.4-78.9-2.8112.5C39 L40 K41 I45 F46 L47 D154 C158C39-R43 WeakPolarHBondContact O-CB 3.23Å; C39-R43 PolarHBondContact O-N 2.7Å; L40-R43 WeakPolarHBondContact O-CB 3.2Å; L40-R43 PolarHBondContact O-N 2.98Å; K41-R43 VanDerWaalsContact C-N 3.31Å; K41-R43 PolarHBondContact O-N 2.91Å; R43-I45 VanDerWaalsContact C-N 3.33Å; R43-F46 PolarHBondContact O-N 2.65Å; R43-L47 HydrophobicContact CG-CD1 4.3Å; R43-L47 WeakPolarHBondContact O-CG 3.27Å; R43-L47 PolarHBondContact O-N 2.81Å; R43-D154 WeakPolarHBondContact CD-O 3.34Å; R43-D154 PolarHBondContact NE-O 3.47Å; R43-C158 HydrophobicContact CG-CB 3.97Å; R43-C158 PolarHBondContact NE-SG 2.85Å
44E98.4Very high98.5Very high104 Ų10444.9 Ų44.949%0.48623%0.229SC..Hα-helixtrans-57.3-47.5173.5-71.9171.5-172.300111.3L40 K41 S42 L47 S48L40-E44 WeakPolarHBondContact O-CG 3.23Å; L40-E44 PolarHBondContact O-N 2.9Å; L40-E44 VanDerWaalsContact O-N 3.12Å; K41-E44 WeakPolarHBondContact CD-OE2 3.47Å; K41-E44 IonicContact NZ-OE2 2.73Å; K41-E44 PolarHBondContact NZ-OE2 2.81Å; K41-E44 WeakPolarHBondContact O-CB 3.49Å; K41-E44 PolarHBondContact O-N 3.22Å; S42-E44 VanDerWaalsContact C-N 3.35Å; S42-E44 PolarHBondContact O-N 3.01Å; E44-L47 PolarHBondContact O-N 3.28Å; E44-S48 PolarHBondContact O-N 3.46Å; E44-S48 PolarHBondContact O-OG 3.32Å
45I98.6Very high98.5Very high19 Ų1943.5 Ų43.510%0.09722%0.223CC..Hα-helixtrans-64.1-43.5-179.9-63.2166.3000111.1K41 S42 R43 L47 S48 Q49 K111 I112 P115K41-I45 WeakPolarHBondContact O-CG1 3.45Å; K41-I45 PolarHBondContact O-N 3.28Å; S42-I45 PolarHBondContact O-N 3.26Å; S42-I45 VanDerWaalsContact O-N 3.16Å; R43-I45 VanDerWaalsContact C-N 3.33Å; I45-L47 VanDerWaalsContact C-N 3.3Å; I45-L47 PolarHBondContact O-N 3.49Å; I45-S48 WeakPolarHBondContact CA-OG 3.27Å; I45-S48 PolarHBondContact O-N 2.98Å; I45-S48 PolarHBondContact O-OG 3.13Å; I45-Q49 PolarHBondContact O-N 2.99Å; I45-K111 HydrophobicContact CG2-CD 4.42Å; I45-K111 HydrophobicContact CG2-CG 4.46Å; I45-I112 HydrophobicContact CD1-CB 4.25Å; I45-I112 HydrophobicContact CD1-CG1 4.03Å; I45-I112 HydrophobicContact CD1-CG2 4.47Å; I45-P115 HydrophobicContact CD1-CB 4.47Å; I45-P115 HydrophobicContact CG2-CB 3.93Å
46F98.8Very high98.5Very high1 Ų150.9 Ų50.90%0.00426%0.258CS..Hα-helixtrans-62.7-39.3178.2-61.8-48.6000112S42 R43 Q49 L108 K111 L120 C158 L159 R191S42-F46 WeakPolarHBondContact O-CD2 3.25Å; S42-F46 VanDerWaalsContact O-CG 3.26Å; S42-F46 WeakPolarHBondContact O-CG 3.36Å; S42-F46 PolarHBondContact O-N 3.43Å; R43-F46 PolarHBondContact O-N 2.65Å; F46-Q49 PolarHBondContact O-N 3.3Å; F46-L108 HydrophobicContact CE2-CD2 3.93Å; F46-L108 HydrophobicContact CZ-CD2 3.9Å; F46-K111 HydrophobicContact CD1-CG 4.44Å; F46-K111 HydrophobicContact CE1-CD 4.04Å; F46-K111 HydrophobicContact CE1-CG 3.67Å; F46-K111 HydrophobicContact CZ-CG 3.97Å; F46-L120 HydrophobicContact CE1-CB 4.29Å; F46-L120 HydrophobicContact CZ-CB 4.44Å; F46-L120 HydrophobicContact CZ-CD1 4.14Å; F46-C158 HydrophobicContact CB-CB 4.2Å; F46-C158 WeakPolarHBondContact CB-O 3.33Å; F46-L159 HydrophobicContact CD1-CD2 4.19Å; F46-L159 HydrophobicContact CD2-CD2 4.13Å; F46-L159 HydrophobicContact CE1-CD2 3.67Å; F46-L159 HydrophobicContact CE2-CD2 3.63Å; F46-L159 HydrophobicContact CE2-CG 4.35Å; F46-L159 HydrophobicContact CG-CD2 4.42Å; F46-L159 HydrophobicContact CZ-CD2 3.39Å; F46-R191 VanDerWaalsContact O-CZ 3.25Å; F46-R191 PolarHBondContact O-NH1 3.31Å; F46-R191 PolarHBondContact O-NH2 3.24Å
47L98.6Very high98.5Very high64 Ų6447.9 Ų47.934%0.33525%0.25SC..Hα-helixtrans-72.1-27.3176.9-73174.4000113R43 E44 I45 C158 R191R43-L47 HydrophobicContact CG-CD1 4.3Å; R43-L47 WeakPolarHBondContact O-CG 3.27Å; R43-L47 PolarHBondContact O-N 2.81Å; E44-L47 PolarHBondContact O-N 3.28Å; I45-L47 VanDerWaalsContact C-N 3.3Å; I45-L47 PolarHBondContact O-N 3.49Å; L47-C158 HydrophobicContact CD2-CB 4.13Å; L47-C158 HydrophobicContact CG-CB 4.06Å; L47-R191 HydrophobicContact CD2-CB 3.72Å
48S98.6Very high98.5Very high95 Ų9550 Ų5066%0.66426%0.261SS*.Hα-helixtrans-78.2-24.3175.265.10000113.3E44 I45E44-S48 PolarHBondContact O-N 3.46Å; E44-S48 PolarHBondContact O-OG 3.32Å; I45-S48 WeakPolarHBondContact CA-OG 3.27Å; I45-S48 PolarHBondContact O-N 2.98Å; I45-S48 PolarHBondContact O-OG 3.13Å
49Q98.6Very high98.5Very high17 Ų1750.4 Ų50.48%0.07926%0.263CS..SBendtrans-92154.6175.8-69.7-179.9-16.600111.3I45 F46 L53 K111 P115 E116 R191I45-Q49 PolarHBondContact O-N 2.99Å; F46-Q49 PolarHBondContact O-N 3.3Å; Q49-L53 HydrophobicContact CB-CD2 4.23Å; Q49-K111 VanDerWaalsContact OE1-CE 3.29Å; Q49-P115 PolarHBondContact NE2-O 2.97Å; Q49-E116 PolarHBondContact NE2-OE1 3.4Å; Q49-R191 PolarHBondContact O-NH2 3.37Å
50P98.5Very high98.5Very high85 Ų8552 Ų5255%0.55227%0.27SS*.  trans-57.6153.7176.2-27.737.7000113.8L52 L53P50-L52 WeakPolarHBondContact CB-O 3.4Å; P50-L53 WeakPolarHBondContact O-CD2 3.33Å
51I98.7Very high98.5Very high8 Ų847.6 Ų47.64%0.04125%0.247CC..SBendtrans-75.3-28.5173.6-165.7175.4000112.5P160 I161 V162 I186 I189 R191I51-P160 CarbonylContact O-C 3.58Å; I51-P160 WeakPolarHBondContact O-CA 3.33Å; I51-P160 VanDerWaalsContact O-CB 3.29Å; I51-P160 WeakPolarHBondContact O-CB 3.49Å; I51-I161 HydrophobicContact CD1-CG1 3.67Å; I51-I161 HydrophobicContact CG1-CB 4.34Å; I51-I161 HydrophobicContact CG1-CG1 3.75Å; I51-I161 PolarHBondContact O-N 3.06Å; I51-V162 PolarHBondContact O-N 3Å; I51-I186 WeakPolarHBondContact CG2-O 3.43Å; I51-I189 HydrophobicContact CD1-CB 3.69Å; I51-I189 HydrophobicContact CD1-CG2 3.57Å; I51-R191 HydrophobicContact CD1-CG 3.76Å; I51-R191 HydrophobicContact CG1-CG 4.38Å
52L98.8Very high98.6Very high2 Ų243 Ų431%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-103.3105.7165.4-177.3162.4000106.1P50 E54 V162 I164 M183 I186 R187P50-L52 WeakPolarHBondContact CB-O 3.4Å; L52-E54 HydrophobicContact CD2-CG 3.94Å; L52-V162 CarbonylContact C-O 3.53Å; L52-V162 WeakPolarHBondContact CA-O 3.15Å; L52-V162 HydrophobicContact CD1-CG1 4.49Å; L52-V162 HydrophobicContact CG-CB 4.39Å; L52-V162 HydrophobicContact CG-CG1 4.17Å; L52-I164 HydrophobicContact CD1-CD1 4.32Å; L52-I164 HydrophobicContact CD2-CD1 4.08Å; L52-I164 HydrophobicContact CD2-CG1 4.15Å; L52-M183 HydrophobicContact CD1-CB 3.91Å; L52-M183 HydrophobicContact CD1-CG 4.41Å; L52-M183 HydrophobicContact CD1-SD 4.21Å; L52-I186 HydrophobicContact CB-CG2 4.04Å; L52-I186 HydrophobicContact CD1-CB 4.21Å; L52-I186 HydrophobicContact CD1-CD1 4.25Å; L52-I186 HydrophobicContact CD1-CG2 4.32Å; L52-R187 HydrophobicContact CB-CG 4.13Å; L52-R187 HydrophobicContact CD1-CG 4.35Å
53L98.8Very high98.6Very high5 Ų543 Ų433%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-75.1139.4179.3-60.2174.3000110.2Q49 P50 L55 F119 L121 P160 V162 A163 I164Q49-L53 HydrophobicContact CB-CD2 4.23Å; P50-L53 WeakPolarHBondContact O-CD2 3.33Å; L53-L55 HydrophobicContact CB-CD1 4.44Å; L53-L55 HydrophobicContact CB-CD2 4.03Å; L53-L55 HydrophobicContact CB-CG 4.05Å; L53-F119 HydrophobicContact CD1-CB 3.98Å; L53-F119 HydrophobicContact CD1-CD1 3.82Å; L53-F119 HydrophobicContact CD1-CG 4.23Å; L53-L121 HydrophobicContact CD1-CD2 3.96Å; L53-P160 HydrophobicContact CD1-CB 4.14Å; L53-P160 HydrophobicContact CD1-CG 3.79Å; L53-P160 HydrophobicContact CD2-CB 4.24Å; L53-P160 HydrophobicContact CD2-CG 4.35Å; L53-P160 HydrophobicContact CG-CB 3.89Å; L53-P160 HydrophobicContact CG-CG 4.07Å; L53-V162 PolarHBondContact N-O 2.78Å; L53-A163 HydrophobicContact CB-CB 3.89Å; L53-A163 CarbonylContact O-C 3.41Å; L53-A163 VanDerWaalsContact O-CA 3.23Å; L53-A163 WeakPolarHBondContact O-CA 3.47Å; L53-I164 PolarHBondContact O-N 3.48Å
54E98.7Very high98.6Very high132 Ų13239.4 Ų39.462%0.61721%0.213SC*.EExtended strand (participates in β ladder)trans-111.9116.6169.8-68.9174.4-169.700106.1L52 I164 R187L52-E54 HydrophobicContact CD2-CG 3.94Å; E54-I164 WeakPolarHBondContact CA-O 3.21Å; E54-R187 IonicContact OE1-CZ 3.7Å; E54-R187 IonicContact OE1-NE 2.7Å; E54-R187 IonicContact OE1-NH2 3.92Å; E54-R187 PolarHBondContact OE1-NH2 3.46Å
55L98.6Very high98.6Very high16 Ų1634.6 Ų34.68%0.08419%0.191CC..EExtended strand (participates in β ladder)trans-125.1158-168.9-55.9-178.1000110.1L53 L59 L88 F119 A163 I164 I165 D166L53-L55 HydrophobicContact CB-CD1 4.44Å; L53-L55 HydrophobicContact CB-CD2 4.03Å; L53-L55 HydrophobicContact CB-CG 4.05Å; L55-L59 HydrophobicContact CD1-CD1 4.31Å; L55-L88 HydrophobicContact CD1-CD1 4.04Å; L55-L88 HydrophobicContact CD1-CD2 4.23Å; L55-F119 HydrophobicContact CD1-CB 4.33Å; L55-F119 HydrophobicContact CD1-CD2 3.98Å; L55-F119 HydrophobicContact CD1-CE2 4.47Å; L55-F119 HydrophobicContact CD1-CG 4.05Å; L55-F119 HydrophobicContact CD2-CD1 3.74Å; L55-F119 HydrophobicContact CD2-CD2 3.87Å; L55-F119 HydrophobicContact CD2-CE1 3.51Å; L55-F119 HydrophobicContact CD2-CE2 3.66Å; L55-F119 HydrophobicContact CD2-CG 3.91Å; L55-F119 HydrophobicContact CD2-CZ 3.46Å; L55-F119 VanDerWaalsContact CD2-CZ 3.46Å; L55-A163 HydrophobicContact CD1-CB 3.81Å; L55-A163 HydrophobicContact CG-CB 4.31Å; L55-I164 PolarHBondContact N-O 3.49Å; L55-I165 HydrophobicContact CB-CG1 4.19Å; L55-I165 CarbonylContact O-C 3.18Å; L55-I165 VanDerWaalsContact O-CA 3.32Å; L55-I165 WeakPolarHBondContact O-CA 3.15Å; L55-D166 PolarHBondContact O-N 3.42Å
56E98.3Very high98.6Very high155 Ų15533.8 Ų33.872%0.72419%0.187SC*.  trans-120.3142.8177.7-63.3177.1178.300109.6L59E56-L59 WeakPolarHBondContact O-CD2 3.46Å
57A97.8Very high98.5Very high17 Ų1733.9 Ų33.914%0.1419%0.187CC..SBendtrans-64.8152.6166.300000111.1L59 D166 V285 D286 L289A57-L59 HydrophobicContact CB-CD2 4.42Å; A57-D166 WeakPolarHBondContact CB-OD2 3.4Å; A57-D166 PolarHBondContact N-OD2 3.17Å; A57-V285 HydrophobicContact CB-CG1 4.07Å; A57-D286 VanDerWaalsContact CB-O 3.26Å; A57-D286 WeakPolarHBondContact CB-O 3.44Å; A57-L289 HydrophobicContact CB-CD2 4.37Å
58P98.1Very high98.5Very high64 Ų6432.1 Ų32.142%0.41618%0.178SC..SBendcis-88.6140.29.132.6-27.8000112N86 V285 D287P58-N86 WeakPolarHBondContact O-CB 3.35Å; P58-N86 PolarHBondContact O-ND2 3.29Å; P58-V285 VanDerWaalsContact CA-O 3.26Å; P58-V285 WeakPolarHBondContact CA-O 3.26Å; P58-D287 VanDerWaalsContact CB-OD1 3.28Å; P58-D287 WeakPolarHBondContact CB-OD1 3.5Å; P58-D287 WeakPolarHBondContact CD-OD1 3.5Å; P58-D287 WeakPolarHBondContact CG-OD1 3.43Å
59L98.1Very high98.5Very high7 Ų727.7 Ų27.74%0.03715%0.146CC..EExtended strand (participates in β ladder)trans-151.6163.4170.870.8152000113.5L55 E56 A57 I61 N86 L88 I165 V285L55-L59 HydrophobicContact CD1-CD1 4.31Å; E56-L59 WeakPolarHBondContact O-CD2 3.46Å; A57-L59 HydrophobicContact CB-CD2 4.42Å; L59-I61 HydrophobicContact CD1-CG1 4.34Å; L59-N86 WeakPolarHBondContact CA-O 3.21Å; L59-N86 HydrophobicContact CB-CB 3.78Å; L59-L88 HydrophobicContact CD1-CB 3.55Å; L59-L88 HydrophobicContact CD1-CD2 4.44Å; L59-I165 HydrophobicContact CD1-CD1 3.91Å; L59-I165 HydrophobicContact CD1-CG1 4.34Å; L59-I165 HydrophobicContact CD2-CD1 3.97Å; L59-I165 HydrophobicContact CD2-CG1 4.12Å; L59-I165 HydrophobicContact CD2-CG2 3.65Å; L59-I165 HydrophobicContact CG-CD1 4.27Å; L59-V285 PolarHBondContact N-O 3.43Å; L59-V285 PolarHBondContact O-N 3.49Å
60K98.7Very high98.4Very high35 Ų3528 Ų2815%0.15215%0.147CC..EExtended strand (participates in β ladder)trans-108.2124.9175.9-65.9175.7-178.3-73.90109.9G79 A85 N86 Y87 L88 M282 M283 S284K60-G79 WeakPolarHBondContact CD-O 3.24Å; K60-G79 WeakPolarHBondContact CE-O 3.44Å; K60-A85 HydrophobicContact CD-CB 3.81Å; K60-N86 PolarHBondContact N-O 3.3Å; K60-Y87 HydrophobicContact CB-CD1 3.84Å; K60-Y87 HydrophobicContact CB-CE1 3.74Å; K60-Y87 HydrophobicContact CB-CG 4.47Å; K60-Y87 HydrophobicContact CD-CE1 4.11Å; K60-Y87 CarbonylContact O-C 3.53Å; K60-Y87 VanDerWaalsContact O-CA 3.31Å; K60-Y87 WeakPolarHBondContact O-CA 3.35Å; K60-L88 PolarHBondContact O-N 2.92Å; K60-M282 HydrophobicContact CB-SD 4.34Å; K60-M282 HydrophobicContact CD-SD 3.87Å; K60-M282 HydrophobicContact CG-SD 4.35Å; K60-M283 CarbonylContact C-O 3.54Å; K60-M283 WeakPolarHBondContact CA-O 3.29Å; K60-S284 PolarHBondContact NZ-OG 3.42Å
61I98.8Very high98.3Very high0 Ų025.4 Ų25.40%013%0.129CC..EExtended strand (participates in β ladder)trans-101.9129179.8-44.1-175.3000109.6L59 L88 L90 I165 L266 M282 M283 V285L59-I61 HydrophobicContact CD1-CG1 4.34Å; I61-L88 CarbonylContact C-O 3.43Å; I61-L88 VanDerWaalsContact CA-O 3.25Å; I61-L88 WeakPolarHBondContact CA-O 3.37Å; I61-L88 HydrophobicContact CD1-CD2 4.47Å; I61-L88 HydrophobicContact CG1-CB 4.49Å; I61-L88 HydrophobicContact CG2-CB 4.49Å; I61-L88 HydrophobicContact CG2-CD2 4.24Å; I61-L88 HydrophobicContact CG2-CG 4.39Å; I61-L90 HydrophobicContact CG2-CD1 3.81Å; I61-L90 HydrophobicContact CG2-CD2 3.79Å; I61-L90 HydrophobicContact CG2-CG 3.73Å; I61-I165 HydrophobicContact CD1-CD1 3.31Å; I61-I165 HydrophobicContact CG1-CD1 4.16Å; I61-L266 HydrophobicContact CB-CD1 4Å; I61-L266 HydrophobicContact CG2-CD1 3.93Å; I61-M282 CarbonylContact O-C 3.55Å; I61-M282 VanDerWaalsContact O-CA 3.29Å; I61-M282 WeakPolarHBondContact O-CA 3.47Å; I61-M282 WeakPolarHBondContact O-CB 3.49Å; I61-M283 HydrophobicContact CB-CB 4.46Å; I61-M283 HydrophobicContact CD1-CE 3.58Å; I61-M283 HydrophobicContact CG1-CE 4.37Å; I61-M283 PolarHBondContact N-O 3.32Å; I61-M283 PolarHBondContact O-N 2.89Å; I61-V285 HydrophobicContact CD1-CG2 4.1Å; I61-V285 HydrophobicContact CG1-CG2 4.41Å
62C98.8Very high98.2Very high0 Ų025.1 Ų25.10%013%0.127CC..EExtended strand (participates in β ladder)trans-123.1139.5-179.5-57.20000110.6L75 L88 F89 L90C62-L75 HydrophobicContact CB-CD1 4.37Å; C62-L88 PolarHBondContact N-O 3.14Å; C62-F89 HydrophobicContact CB-CD1 3.58Å; C62-F89 HydrophobicContact CB-CE1 3.6Å; C62-F89 HydrophobicContact CB-CG 4.1Å; C62-F89 HydrophobicContact CB-CZ 4.14Å; C62-F89 CarbonylContact O-C 3.57Å; C62-F89 WeakPolarHBondContact O-CA 3.37Å; C62-L90 WeakPolarHBondContact O-CB 3.48Å; C62-L90 WeakPolarHBondContact O-CG 3.15Å; C62-L90 PolarHBondContact O-N 2.83Å
63G98.7Very high98.2Very high0 Ų025.1 Ų25.10%013%0.127CC..  trans-85.3-150172.500000112.5S268G63-S268 PolarHBondContact N-OG 2.81Å
64D98.8Very high98Very high2 Ų228.1 Ų28.11%0.01114%0.138CC..BIsolated β-bridgetrans-59.1141.7-175.1-53.620000112.6H66 D92 H173 A247 H248 F267 S268 A269D64-H66 IonicContact OD2-NE2 2.81Å; D64-D92 HydrophobicContact CB-CB 3.97Å; D64-H173 IonicContact OD1-CE1 2.98Å; D64-H173 PolarHBondContact OD1-CE1 2.77Å; D64-H173 VanDerWaalsContact OD1-CE1 3.3Å; D64-H173 IonicContact OD1-ND1 3.31Å; D64-H173 IonicContact OD2-CE1 3.68Å; D64-A247 WeakPolarHBondContact OD1-CB 3.18Å; D64-H248 PolarHBondContact OD1-N 2.86Å; D64-F267 HydrophobicContact CB-CD2 3.83Å; D64-F267 HydrophobicContact CB-CE2 3.51Å; D64-F267 HydrophobicContact CB-CZ 3.96Å; D64-F267 WeakPolarHBondContact OD2-CE2 2.99Å; D64-S268 CarbonylContact O-C 3.56Å; D64-S268 VanDerWaalsContact O-C 3.29Å; D64-S268 WeakPolarHBondContact O-CA 3.14Å; D64-S268 WeakPolarHBondContact O-CB 3.44Å; D64-S268 PolarHBondContact O-N 3.04Å; D64-S268 VanDerWaalsContact O-N 3.15Å; D64-A269 PolarHBondContact O-N 2.95Å
65I98.7Very high97.9Very high2 Ų222.1 Ų22.11%0.0111%0.11CC..  trans-118.7-35.7178.1-55.6-63.9000111.8G67 Q68 L72 L75 F89 D92 T103I65-G67 PolarHBondContact O-N 3.05Å; I65-Q68 WeakPolarHBondContact O-CB 3.36Å; I65-Q68 WeakPolarHBondContact O-CG 2.99Å; I65-Q68 PolarHBondContact O-N 2.89Å; I65-L72 HydrophobicContact CD1-CD1 4.19Å; I65-L72 HydrophobicContact CG1-CD1 4.48Å; I65-L72 HydrophobicContact CG2-CB 3.98Å; I65-L75 HydrophobicContact CD1-CD1 4.07Å; I65-F89 HydrophobicContact CD1-CD1 4.35Å; I65-F89 HydrophobicContact CD1-CE1 3.97Å; I65-F89 HydrophobicContact CG1-CD1 4.05Å; I65-F89 HydrophobicContact CG1-CE1 4.01Å; I65-D92 PolarHBondContact N-O 3.15Å; I65-T103 HydrophobicContact CB-CG2 4.24Å; I65-T103 HydrophobicContact CG2-CG2 3.53Å
66H98.6Very high97.9Very high3 Ų321.4 Ų21.41%0.01411%0.106CC..THydrogen-bonded Turntrans45.553.9173.9-79.3-58.3000114.5D64 Q68 D92 V94 D95 R96 G97 H125 Y272D64-H66 IonicContact OD2-NE2 2.81Å; H66-Q68 PolarHBondContact O-N 3.34Å; H66-D92 IonicContact CE1-OD2 3.32Å; H66-D92 PolarHBondContact CE1-OD2 3.01Å; H66-D92 VanDerWaalsContact CE1-OD2 3.31Å; H66-D92 PolarHBondContact N-O 2.85Å; H66-D92 IonicContact NE2-OD2 3.73Å; H66-D92 PolarHBondContact NE2-OD2 3.05Å; H66-V94 PolarHBondContact ND1-O 2.88Å; H66-D95 CarbonylContact C-O 3.5Å; H66-D95 WeakPolarHBondContact CA-O 3.07Å; H66-D95 WeakPolarHBondContact CB-O 3.28Å; H66-D95 VanDerWaalsContact O-O 3.09Å; H66-R96 HydrophobicContact CB-CB 4.37Å; H66-G97 WeakPolarHBondContact O-CA 3.41Å; H66-G97 PolarHBondContact O-N 2.84Å; H66-H125 AromaticContact CE1-CD2 3.54Å; H66-H125 AromaticContact CE1-CE1 3.83Å; H66-H125 AromaticContact CE1-CG 3.66Å; H66-H125 AromaticContact CE1-ND1 3.84Å; H66-H125 AromaticContact CE1-NE2 3.68Å; H66-Y272 HydrophobicContact CB-CE2 3.74Å; H66-Y272 AromaticContact CD2-CE2 3.23Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.44Å; H66-Y272 AromaticContact CD2-CZ 3.54Å; H66-Y272 PolarHBondContact CD2-OH 3.42Å; H66-Y272 AromaticContact CG-CE2 3.7Å; H66-Y272 AromaticContact NE2-CE2 4Å; H66-Y272 AromaticContact NE2-CZ 3.82Å; H66-Y272 PolarHBondContact NE2-OH 3.16Å
67G98.2Very high97.8Very high2 Ų219 Ų192%0.02110%0.095CC..THydrogen-bonded Turntrans62.214175.800000115.6I65 Y69 Y93 Q99 T103I65-G67 PolarHBondContact O-N 3.05Å; G67-Y69 PolarHBondContact O-N 2.92Å; G67-Y93 PolarHBondContact N-O 2.75Å; G67-Q99 CarbonylContact O-C 3.58Å; G67-Q99 PolarHBondContact O-N 3.3Å; G67-Q99 VanDerWaalsContact O-N 3.09Å; G67-T103 WeakPolarHBondContact CA-OG1 3.37Å
68Q97.7Very high97.6Very high28 Ų2824.4 Ų24.413%0.13111%0.113CC..  trans-80.263.9172-58.4-158154.100110.5I65 H66 Y70 D71 L72 A269 P270I65-Q68 WeakPolarHBondContact O-CB 3.36Å; I65-Q68 WeakPolarHBondContact O-CG 2.99Å; I65-Q68 PolarHBondContact O-N 2.89Å; H66-Q68 PolarHBondContact O-N 3.34Å; Q68-Y70 VanDerWaalsContact C-N 3.32Å; Q68-Y70 PolarHBondContact O-N 2.83Å; Q68-D71 HydrophobicContact CB-CB 4.13Å; Q68-D71 PolarHBondContact NE2-OD2 2.99Å; Q68-D71 WeakPolarHBondContact O-CA 3.15Å; Q68-D71 WeakPolarHBondContact O-CB 3.02Å; Q68-D71 PolarHBondContact O-N 2.78Å; Q68-L72 PolarHBondContact O-N 2.92Å; Q68-A269 HydrophobicContact CG-CB 4.32Å; Q68-P270 PolarHBondContact NE2-O 3.39Å
69Y97.9Very high97.5Very high1 Ų121.5 Ų21.50%0.00410%0.095CC..Hα-helixtrans-54.6-41.2-168.5-177.9-125.2000114.8L16 V19 V28 G67 D71 L72 L73 E102 T103 L106L16-Y69 WeakPolarHBondContact CA-OH 3.16Å; L16-Y69 WeakPolarHBondContact CB-OH 3.21Å; L16-Y69 PolarHBondContact O-OH 3Å; V19-Y69 HydrophobicContact CG2-CD1 4.49Å; V19-Y69 HydrophobicContact CG2-CE1 3.69Å; V28-Y69 HydrophobicContact CG2-CE1 4.43Å; G67-Y69 PolarHBondContact O-N 2.92Å; Y69-D71 VanDerWaalsContact C-N 3.3Å; Y69-D71 PolarHBondContact O-N 3Å; Y69-L72 HydrophobicContact CD2-CD2 4.46Å; Y69-L72 WeakPolarHBondContact O-CB 3.48Å; Y69-L72 PolarHBondContact O-N 2.86Å; Y69-L73 HydrophobicContact CD1-CD1 4.34Å; Y69-L73 HydrophobicContact CE1-CD1 3.88Å; Y69-L73 HydrophobicContact CE1-CG 4.4Å; Y69-L73 HydrophobicContact CE2-CD2 4.23Å; Y69-L73 HydrophobicContact CE2-CG 4.35Å; Y69-L73 WeakPolarHBondContact O-CG 3.44Å; Y69-L73 PolarHBondContact O-N 2.96Å; Y69-E102 HydrophobicContact CD1-CB 3.56Å; Y69-E102 HydrophobicContact CD1-CG 4.09Å; Y69-E102 HydrophobicContact CD2-CB 3.69Å; Y69-E102 HydrophobicContact CE1-CB 3.68Å; Y69-E102 HydrophobicContact CE1-CG 4.07Å; Y69-E102 HydrophobicContact CE2-CB 3.82Å; Y69-E102 WeakPolarHBondContact CE2-O 3.25Å; Y69-E102 HydrophobicContact CG-CB 3.55Å; Y69-T103 WeakPolarHBondContact CA-OG1 3.2Å; Y69-T103 WeakPolarHBondContact CB-OG1 3.26Å; Y69-L106 HydrophobicContact CE2-CB 4.06Å; Y69-L106 HydrophobicContact CE2-CD2 3.76Å
70Y96.7Very high97.5Very high23 Ų2322.7 Ų22.79%0.0911%0.106CC..Hα-helixtrans-69.4-29.1178.4-80.4-100.2000112.6V19 T22 R23 P24 K26 Q68 L73 R74 Q99V19-Y70 WeakPolarHBondContact O-CE1 3.44Å; T22-Y70 PolarHBondContact OG1-OH 2.84Å; R23-Y70 PolarHBondContact O-OH 2.98Å; P24-Y70 VanDerWaalsContact CA-CE1 3.48Å; P24-Y70 HydrophobicContact CB-CD1 3.93Å; P24-Y70 HydrophobicContact CB-CD2 4.25Å; P24-Y70 HydrophobicContact CB-CE1 4.3Å; P24-Y70 HydrophobicContact CB-CG 3.89Å; P24-Y70 HydrophobicContact CG-CD1 3.93Å; P24-Y70 HydrophobicContact CG-CE1 4.34Å; P24-Y70 HydrophobicContact CG-CG 4.32Å; K26-Y70 WeakPolarHBondContact CB-OH 3.38Å; K26-Y70 PolarHBondContact N-OH 2.79Å; K26-Y70 PolarHBondContact O-OH 3.26Å; Q68-Y70 VanDerWaalsContact C-N 3.32Å; Q68-Y70 PolarHBondContact O-N 2.83Å; Y70-L73 PolarHBondContact O-N 3.06Å; Y70-R74 VanDerWaalsContact O-CG 3.32Å; Y70-R74 WeakPolarHBondContact O-CG 3.01Å; Y70-R74 PolarHBondContact O-N 2.98Å; Y70-Q99 VanDerWaalsContact CD2-OE1 3.29Å
71D96.5Very high97.5Very high32 Ų3222.5 Ų22.517%0.17111%0.105CC..Hα-helixtrans-74.4-33.4173.3-63.6-52.2000111.2Q68 Y69 L73 R74 L75 P270 L296Q68-D71 HydrophobicContact CB-CB 4.13Å; Q68-D71 PolarHBondContact NE2-OD2 2.99Å; Q68-D71 WeakPolarHBondContact O-CA 3.15Å; Q68-D71 WeakPolarHBondContact O-CB 3.02Å; Q68-D71 PolarHBondContact O-N 2.78Å; Y69-D71 VanDerWaalsContact C-N 3.3Å; Y69-D71 PolarHBondContact O-N 3Å; D71-L73 VanDerWaalsContact C-N 3.33Å; D71-L73 PolarHBondContact O-N 3.04Å; D71-R74 PolarHBondContact O-N 2.85Å; D71-R74 IonicContact OD1-CZ 3.28Å; D71-R74 IonicContact OD1-NH1 3.82Å; D71-R74 PolarHBondContact OD1-NH1 3.21Å; D71-L75 VanDerWaalsContact O-CB 3.24Å; D71-L75 WeakPolarHBondContact O-CB 3.16Å; D71-L75 PolarHBondContact O-N 3.36Å; D71-P270 HydrophobicContact CB-CG 4Å; D71-L296 HydrophobicContact CB-CD2 4.45Å
72L97.9Very high97.4Very high1 Ų123 Ų231%0.00511%0.108CC..Hα-helixtrans-59.6-42.4167.8177.164.2000111.8I65 Q68 Y69 L75 F76 F89 T103 L106 L107I65-L72 HydrophobicContact CD1-CD1 4.19Å; I65-L72 HydrophobicContact CG1-CD1 4.48Å; I65-L72 HydrophobicContact CG2-CB 3.98Å; Q68-L72 PolarHBondContact O-N 2.92Å; Y69-L72 HydrophobicContact CD2-CD2 4.46Å; Y69-L72 WeakPolarHBondContact O-CB 3.48Å; Y69-L72 PolarHBondContact O-N 2.86Å; L72-L75 WeakPolarHBondContact O-CB 2.88Å; L72-L75 PolarHBondContact O-N 3.25Å; L72-F76 HydrophobicContact CD1-CD2 4.17Å; L72-F76 HydrophobicContact CD1-CE2 3.54Å; L72-F76 HydrophobicContact CD1-CZ 3.74Å; L72-F76 HydrophobicContact CD2-CE2 4.1Å; L72-F76 HydrophobicContact CG-CD2 4.1Å; L72-F76 HydrophobicContact CG-CE2 3.63Å; L72-F76 HydrophobicContact CG-CZ 4.33Å; L72-F76 WeakPolarHBondContact O-CD2 3.28Å; L72-F76 PolarHBondContact O-N 3.33Å; L72-F89 HydrophobicContact CD1-CE1 3.68Å; L72-F89 HydrophobicContact CD1-CZ 3.78Å; L72-T103 HydrophobicContact CD2-CG2 3.97Å; L72-L106 HydrophobicContact CD2-CD2 4.32Å; L72-L107 HydrophobicContact CD1-CD2 4.21Å; L72-L107 HydrophobicContact CD2-CD2 3.95Å; L72-L107 HydrophobicContact CD2-CG 4.11Å
73L97.4Very high97.4Very high3 Ų326.2 Ų26.22%0.01613%0.129CC..Hα-helixtrans-64-43.4175.7-64.3178.2000111.7L17 V19 R20 Y69 Y70 D71 L75 F76 E77 L106L17-L73 HydrophobicContact CD2-CD2 3.73Å; V19-L73 HydrophobicContact CG2-CD1 4.33Å; R20-L73 HydrophobicContact CB-CD1 4.01Å; Y69-L73 HydrophobicContact CD1-CD1 4.34Å; Y69-L73 HydrophobicContact CE1-CD1 3.88Å; Y69-L73 HydrophobicContact CE1-CG 4.4Å; Y69-L73 HydrophobicContact CE2-CD2 4.23Å; Y69-L73 HydrophobicContact CE2-CG 4.35Å; Y69-L73 WeakPolarHBondContact O-CG 3.44Å; Y69-L73 PolarHBondContact O-N 2.96Å; Y70-L73 PolarHBondContact O-N 3.06Å; D71-L73 VanDerWaalsContact C-N 3.33Å; D71-L73 PolarHBondContact O-N 3.04Å; L73-L75 VanDerWaalsContact C-N 3.29Å; L73-L75 PolarHBondContact O-N 3.3Å; L73-F76 PolarHBondContact O-N 3.43Å; L73-E77 WeakPolarHBondContact O-CG 3.47Å; L73-E77 PolarHBondContact O-N 2.71Å; L73-L106 HydrophobicContact CD2-CD2 3.74Å
74R95.8Very high97.4Very high67 Ų6733.7 Ų33.725%0.25316%0.164SC..Hα-helixtrans-62-37.5174.4-71.4169.767.3-152-0.1112.1Y70 D71 E77 Y78 L296 R297Y70-R74 VanDerWaalsContact O-CG 3.32Å; Y70-R74 WeakPolarHBondContact O-CG 3.01Å; Y70-R74 PolarHBondContact O-N 2.98Å; D71-R74 PolarHBondContact O-N 2.85Å; D71-R74 IonicContact OD1-CZ 3.28Å; D71-R74 IonicContact OD1-NH1 3.82Å; D71-R74 PolarHBondContact OD1-NH1 3.21Å; R74-E77 PolarHBondContact O-N 2.85Å; R74-Y78 WeakPolarHBondContact O-CB 3.39Å; R74-Y78 PolarHBondContact O-N 3.29Å; R74-L296 HydrophobicContact CB-CD1 4.15Å; R74-L296 HydrophobicContact CB-CD2 3.95Å; R74-R297 PolarHBondContact NH2-O 3.48Å
75L96.9Very high97.3Very high7 Ų734.3 Ų34.34%0.03717%0.169CC..Hα-helixtrans-60.6-46.8175.8-178.4157.6000110.2C62 I65 D71 L72 L73 Y78 G79 Y87 F89 M282C62-L75 HydrophobicContact CB-CD1 4.37Å; I65-L75 HydrophobicContact CD1-CD1 4.07Å; D71-L75 VanDerWaalsContact O-CB 3.24Å; D71-L75 WeakPolarHBondContact O-CB 3.16Å; D71-L75 PolarHBondContact O-N 3.36Å; L72-L75 WeakPolarHBondContact O-CB 2.88Å; L72-L75 PolarHBondContact O-N 3.25Å; L73-L75 VanDerWaalsContact C-N 3.29Å; L73-L75 PolarHBondContact O-N 3.3Å; L75-Y78 PolarHBondContact O-N 2.97Å; L75-G79 PolarHBondContact O-N 3.22Å; L75-Y87 HydrophobicContact CD2-CE1 4.05Å; L75-F89 HydrophobicContact CD2-CZ 4.38Å; L75-M282 HydrophobicContact CB-CE 4.33Å; L75-M282 HydrophobicContact CD1-CE 4.23Å; L75-M282 HydrophobicContact CD2-CE 3.19Å; L75-M282 HydrophobicContact CG-CE 3.27Å; L75-M282 VanDerWaalsContact O-CE 3.28Å; L75-M282 WeakPolarHBondContact O-CE 3.41Å
76F97.8Very high97.3Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-68.3-34.7174-68.2-47.8000113.7L72 L73 Y78 A80 F81 P82 Y87 F89 L106 L107 Y110 F118L72-F76 HydrophobicContact CD1-CD2 4.17Å; L72-F76 HydrophobicContact CD1-CE2 3.54Å; L72-F76 HydrophobicContact CD1-CZ 3.74Å; L72-F76 HydrophobicContact CD2-CE2 4.1Å; L72-F76 HydrophobicContact CG-CD2 4.1Å; L72-F76 HydrophobicContact CG-CE2 3.63Å; L72-F76 HydrophobicContact CG-CZ 4.33Å; L72-F76 WeakPolarHBondContact O-CD2 3.28Å; L72-F76 PolarHBondContact O-N 3.33Å; L73-F76 PolarHBondContact O-N 3.43Å; F76-Y78 PolarHBondContact O-N 3.32Å; F76-A80 CarbonylContact O-C 3.59Å; F76-A80 WeakPolarHBondContact O-CA 3.43Å; F76-A80 PolarHBondContact O-N 2.96Å; F76-F81 HydrophobicContact CB-CD1 3.53Å; F76-F81 HydrophobicContact CB-CD2 4.36Å; F76-F81 HydrophobicContact CB-CE1 3.49Å; F76-F81 VanDerWaalsContact CB-CE1 3.49Å; F76-F81 HydrophobicContact CB-CE2 4.34Å; F76-F81 HydrophobicContact CB-CG 3.99Å; F76-F81 HydrophobicContact CB-CZ 3.92Å; F76-F81 HydrophobicContact CD2-CD1 4.38Å; F76-F81 HydrophobicContact CD2-CE1 4.31Å; F76-F81 HydrophobicContact CG-CD1 4.13Å; F76-F81 HydrophobicContact CG-CE1 4.27Å; F76-F81 PolarHBondContact O-N 3.46Å; F76-P82 HydrophobicContact CE1-CG 4.21Å; F76-Y87 HydrophobicContact CD1-CE1 4.06Å; F76-Y87 HydrophobicContact CD1-CE2 4.01Å; F76-Y87 AromaticContact CD1-CZ 3.68Å; F76-Y87 HydrophobicContact CE1-CD1 4.18Å; F76-Y87 HydrophobicContact CE1-CD2 4.26Å; F76-Y87 AromaticContact CE1-CE1 3.98Å; F76-Y87 HydrophobicContact CE1-CE1 3.98Å; F76-Y87 HydrophobicContact CE1-CE2 4.06Å; F76-Y87 HydrophobicContact CE1-CG 4.31Å; F76-Y87 AromaticContact CE1-CZ 3.92Å; F76-F89 HydrophobicContact CE1-CE2 4.14Å; F76-F89 AromaticContact CE1-CZ 3.83Å; F76-F89 HydrophobicContact CE1-CZ 3.83Å; F76-F89 HydrophobicContact CZ-CE2 4.14Å; F76-F89 AromaticContact CZ-CZ 3.74Å; F76-F89 HydrophobicContact CZ-CZ 3.74Å; F76-L106 HydrophobicContact CD2-CD2 4.38Å; F76-L106 HydrophobicContact CE2-CD2 4.03Å; F76-L107 HydrophobicContact CZ-CD2 4.23Å; F76-Y110 HydrophobicContact CD2-CE2 4.33Å; F76-Y110 HydrophobicContact CE2-CD2 4.26Å; F76-Y110 AromaticContact CE2-CE2 3.85Å; F76-Y110 HydrophobicContact CE2-CE2 3.85Å; F76-Y110 HydrophobicContact CZ-CD2 4.22Å; F76-Y110 HydrophobicContact CZ-CE2 4.16Å; F76-F118 HydrophobicContact CE1-CE2 4.04Å; F76-F118 AromaticContact CZ-CE2 3.99Å; F76-F118 HydrophobicContact CZ-CE2 3.99Å; F76-F118 HydrophobicContact CZ-CZ 4.06Å
77E95.7Very high97.3Very high104 Ų10435.8 Ų35.849%0.48618%0.177SC..Hα-helixtrans-61.9-35.8173.1-75174.8176.500111.8L73 R74 F81L73-E77 WeakPolarHBondContact O-CG 3.47Å; L73-E77 PolarHBondContact O-N 2.71Å; R74-E77 PolarHBondContact O-N 2.85Å; E77-F81 HydrophobicContact CB-CE2 4.37Å; E77-F81 HydrophobicContact CG-CE2 3.61Å; E77-F81 HydrophobicContact CG-CZ 3.7Å
78Y94.5Very high97.4Very high131 Ų13135.7 Ų35.751%0.51418%0.176SC..Hα-helixtrans-85.1-33.3-179.7-165.1-132.8000113.6R74 L75 F76 Q294R74-Y78 WeakPolarHBondContact O-CB 3.39Å; R74-Y78 PolarHBondContact O-N 3.29Å; L75-Y78 PolarHBondContact O-N 2.97Å; F76-Y78 PolarHBondContact O-N 3.32Å; Y78-Q294 HydrophobicContact CD1-CB 3.89Å; Y78-Q294 HydrophobicContact CE1-CB 3.55Å; Y78-Q294 HydrophobicContact CE1-CG 4.18Å; Y78-Q294 PolarHBondContact O-NE2 2.96Å; Y78-Q294 VanDerWaalsContact O-NE2 3.11Å
79G96Very high97.4Very high4 Ų434.4 Ų34.44%0.04117%0.17CC..Hα-helixtrans-96.22.5179.900000115.2K60 L75 Y87K60-G79 WeakPolarHBondContact CD-O 3.24Å; K60-G79 WeakPolarHBondContact CE-O 3.44Å; L75-G79 PolarHBondContact O-N 3.22Å; G79-Y87 WeakPolarHBondContact CA-OH 3.39Å; G79-Y87 PolarHBondContact O-OH 2.89Å
80A97.5Very high97.5Very high32 Ų3234.3 Ų34.326%0.26417%0.17SC..  trans69.6140.4-166.700000114.1F76 E84 A85 Y87F76-A80 CarbonylContact O-C 3.59Å; F76-A80 WeakPolarHBondContact O-CA 3.43Å; F76-A80 PolarHBondContact O-N 2.96Å; A80-E84 HydrophobicContact CB-CB 3.86Å; A80-A85 HydrophobicContact CB-CB 4.45Å; A80-Y87 VanDerWaalsContact O-CE2 3.3Å; A80-Y87 WeakPolarHBondContact O-CE2 3.16Å; A80-Y87 PolarHBondContact O-OH 3.12Å
81F98Very high97.6Very high30 Ų3033.2 Ų33.213%0.13217%0.166CC..  trans-75.4147.9-178.7-75.5-91000111L17 F76 E77 E84 Y110L17-F81 HydrophobicContact CD1-CD1 4.49Å; L17-F81 HydrophobicContact CD2-CD1 4.17Å; L17-F81 HydrophobicContact CD2-CE1 3.66Å; F76-F81 HydrophobicContact CB-CD1 3.53Å; F76-F81 HydrophobicContact CB-CD2 4.36Å; F76-F81 HydrophobicContact CB-CE1 3.49Å; F76-F81 VanDerWaalsContact CB-CE1 3.49Å; F76-F81 HydrophobicContact CB-CE2 4.34Å; F76-F81 HydrophobicContact CB-CG 3.99Å; F76-F81 HydrophobicContact CB-CZ 3.92Å; F76-F81 HydrophobicContact CD2-CD1 4.38Å; F76-F81 HydrophobicContact CD2-CE1 4.31Å; F76-F81 HydrophobicContact CG-CD1 4.13Å; F76-F81 HydrophobicContact CG-CE1 4.27Å; F76-F81 PolarHBondContact O-N 3.46Å; E77-F81 HydrophobicContact CB-CE2 4.37Å; E77-F81 HydrophobicContact CG-CE2 3.61Å; E77-F81 HydrophobicContact CG-CZ 3.7Å; F81-E84 WeakPolarHBondContact O-CA 3.32Å; F81-E84 WeakPolarHBondContact O-CB 3.23Å; F81-E84 PolarHBondContact O-N 3.35Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.3Å
82P98.2Very high97.7Very high10 Ų1031.8 Ų31.87%0.06516%0.158CC..THydrogen-bonded Turntrans-56.9136.1169.9-24.233.7000111.7F76 Y87 Y110 Y114 F118F76-P82 HydrophobicContact CE1-CG 4.21Å; P82-Y87 HydrophobicContact CG-CD2 3.99Å; P82-Y87 HydrophobicContact CG-CE2 4.18Å; P82-Y110 HydrophobicContact CB-CD1 3.87Å; P82-Y110 HydrophobicContact CB-CE1 4Å; P82-Y110 HydrophobicContact CB-CG 4.26Å; P82-Y110 HydrophobicContact CG-CD1 4.06Å; P82-Y110 HydrophobicContact CG-CD2 4.04Å; P82-Y110 HydrophobicContact CG-CE1 4.13Å; P82-Y110 HydrophobicContact CG-CE2 4.11Å; P82-Y110 HydrophobicContact CG-CG 4.02Å; P82-Y114 HydrophobicContact CB-CD2 3.72Å; P82-Y114 HydrophobicContact CB-CE2 3.88Å; P82-F118 HydrophobicContact CB-CD2 4.19Å; P82-F118 HydrophobicContact CG-CD2 3.63Å; P82-F118 HydrophobicContact CG-CE2 3.63Å
83P97.7Very high97.7Very high69 Ų6931.8 Ų31.845%0.44816%0.158SC..THydrogen-bonded Turncis-98.616.58.339.4-31.6000113.8A85 Y114P83-A85 PolarHBondContact O-N 2.76Å; P83-Y114 HydrophobicContact CB-CD1 3.79Å; P83-Y114 HydrophobicContact CB-CE1 3.7Å; P83-Y114 HydrophobicContact CB-CE2 4.43Å; P83-Y114 HydrophobicContact CB-CG 4.22Å; P83-Y114 WeakPolarHBondContact CD-OH 3.49Å; P83-Y114 HydrophobicContact CG-CD1 4.25Å; P83-Y114 HydrophobicContact CG-CE1 3.64Å
84E97.9Very high97.8Very high157 Ų15731.7 Ų31.773%0.73416%0.157SC*.SBendtrans-63.7-22-180-60173.6-16200112.5A80 F81A80-E84 HydrophobicContact CB-CB 3.86Å; F81-E84 WeakPolarHBondContact O-CA 3.32Å; F81-E84 WeakPolarHBondContact O-CB 3.23Å; F81-E84 PolarHBondContact O-N 3.35Å
85A97.9Very high97.9Very high14 Ų1428.5 Ų28.512%0.11615%0.145CC..SBendtrans-138.1147.8167.200000110.8K60 A80 P83 Y87K60-A85 HydrophobicContact CD-CB 3.81Å; A80-A85 HydrophobicContact CB-CB 4.45Å; P83-A85 PolarHBondContact O-N 2.76Å; A85-Y87 HydrophobicContact CB-CD2 4.46Å; A85-Y87 HydrophobicContact CB-CE2 3.84Å; A85-Y87 VanDerWaalsContact O-CD2 3.32Å; A85-Y87 WeakPolarHBondContact O-CD2 3.29Å
86N98.6Very high97.8Very high37 Ų3730.9 Ų30.920%0.19815%0.154CC..  trans-79.2145.9170.4-57.7-36.6000109.9P58 L59 K60 N117P58-N86 WeakPolarHBondContact O-CB 3.35Å; P58-N86 PolarHBondContact O-ND2 3.29Å; L59-N86 WeakPolarHBondContact CA-O 3.21Å; L59-N86 HydrophobicContact CB-CB 3.78Å; K60-N86 PolarHBondContact N-O 3.3Å; N86-N117 CarbonylContact C-O 3.55Å; N86-N117 WeakPolarHBondContact CA-O 3.5Å; N86-N117 VanDerWaalsContact OD1-CB 3.26Å; N86-N117 WeakPolarHBondContact OD1-CB 3.38Å; N86-N117 PolarHBondContact OD1-ND2 2.92Å
87Y98.9Very high97.7Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-132.2140.7-177.7-78.1-91.9000113.2K60 L75 F76 G79 A80 P82 A85 F89 N117 F118 F119 M282K60-Y87 HydrophobicContact CB-CD1 3.84Å; K60-Y87 HydrophobicContact CB-CE1 3.74Å; K60-Y87 HydrophobicContact CB-CG 4.47Å; K60-Y87 HydrophobicContact CD-CE1 4.11Å; K60-Y87 CarbonylContact O-C 3.53Å; K60-Y87 VanDerWaalsContact O-CA 3.31Å; K60-Y87 WeakPolarHBondContact O-CA 3.35Å; L75-Y87 HydrophobicContact CD2-CE1 4.05Å; F76-Y87 HydrophobicContact CD1-CE1 4.06Å; F76-Y87 HydrophobicContact CD1-CE2 4.01Å; F76-Y87 AromaticContact CD1-CZ 3.68Å; F76-Y87 HydrophobicContact CE1-CD1 4.18Å; F76-Y87 HydrophobicContact CE1-CD2 4.26Å; F76-Y87 AromaticContact CE1-CE1 3.98Å; F76-Y87 HydrophobicContact CE1-CE1 3.98Å; F76-Y87 HydrophobicContact CE1-CE2 4.06Å; F76-Y87 HydrophobicContact CE1-CG 4.31Å; F76-Y87 AromaticContact CE1-CZ 3.92Å; G79-Y87 WeakPolarHBondContact CA-OH 3.39Å; G79-Y87 PolarHBondContact O-OH 2.89Å; A80-Y87 VanDerWaalsContact O-CE2 3.3Å; A80-Y87 WeakPolarHBondContact O-CE2 3.16Å; A80-Y87 PolarHBondContact O-OH 3.12Å; P82-Y87 HydrophobicContact CG-CD2 3.99Å; P82-Y87 HydrophobicContact CG-CE2 4.18Å; A85-Y87 HydrophobicContact CB-CD2 4.46Å; A85-Y87 HydrophobicContact CB-CE2 3.84Å; A85-Y87 VanDerWaalsContact O-CD2 3.32Å; A85-Y87 WeakPolarHBondContact O-CD2 3.29Å; Y87-F89 AromaticContact CD1-CE2 3.85Å; Y87-F89 HydrophobicContact CD1-CE2 3.85Å; Y87-F89 HydrophobicContact CD1-CZ 4.22Å; Y87-F89 HydrophobicContact CG-CE2 4.09Å; Y87-N117 PolarHBondContact N-O 2.81Å; Y87-F118 HydrophobicContact CD2-CD2 4.31Å; Y87-F118 HydrophobicContact CD2-CE2 4.24Å; Y87-F118 HydrophobicContact CG-CD2 4.35Å; Y87-F118 HydrophobicContact CG-CE2 4.09Å; Y87-F119 PolarHBondContact O-N 3.04Å; Y87-M282 HydrophobicContact CE1-CE 4.24Å
88L98.9Very high97.7Very high0 Ų035.6 Ų35.60%018%0.179CC..EExtended strand (participates in β ladder)trans-120.6121.1162.5175.266.2000108.7L55 L59 K60 I61 C62 L90 F119 L121 A163 I165 C171L55-L88 HydrophobicContact CD1-CD1 4.04Å; L55-L88 HydrophobicContact CD1-CD2 4.23Å; L59-L88 HydrophobicContact CD1-CB 3.55Å; L59-L88 HydrophobicContact CD1-CD2 4.44Å; K60-L88 PolarHBondContact O-N 2.92Å; I61-L88 CarbonylContact C-O 3.43Å; I61-L88 VanDerWaalsContact CA-O 3.25Å; I61-L88 WeakPolarHBondContact CA-O 3.37Å; I61-L88 HydrophobicContact CD1-CD2 4.47Å; I61-L88 HydrophobicContact CG1-CB 4.49Å; I61-L88 HydrophobicContact CG2-CB 4.49Å; I61-L88 HydrophobicContact CG2-CD2 4.24Å; I61-L88 HydrophobicContact CG2-CG 4.39Å; C62-L88 PolarHBondContact N-O 3.14Å; L88-L90 HydrophobicContact CD2-CD2 4.24Å; L88-L90 HydrophobicContact CG-CD2 4.37Å; L88-F119 WeakPolarHBondContact CA-O 3.18Å; L88-F119 HydrophobicContact CD1-CB 3.72Å; L88-L121 HydrophobicContact CD1-CD1 4.26Å; L88-L121 HydrophobicContact CD1-CD2 4.06Å; L88-L121 HydrophobicContact CD1-CG 3.79Å; L88-A163 HydrophobicContact CD1-CB 4.12Å; L88-A163 HydrophobicContact CD2-CB 3.85Å; L88-I165 HydrophobicContact CD2-CD1 4.16Å; L88-C171 HydrophobicContact CD2-CB 3.8Å
89F98.9Very high97.8Very high0 Ų029.7 Ų29.70%016%0.156CC..EExtended strand (participates in β ladder)trans-101.3140.3168.7-69.1-108.7000110.9C62 I65 L72 L75 F76 Y87 G91 Y93 L107 F118 F119 L120 L121C62-F89 HydrophobicContact CB-CD1 3.58Å; C62-F89 HydrophobicContact CB-CE1 3.6Å; C62-F89 HydrophobicContact CB-CG 4.1Å; C62-F89 HydrophobicContact CB-CZ 4.14Å; C62-F89 CarbonylContact O-C 3.57Å; C62-F89 WeakPolarHBondContact O-CA 3.37Å; I65-F89 HydrophobicContact CD1-CD1 4.35Å; I65-F89 HydrophobicContact CD1-CE1 3.97Å; I65-F89 HydrophobicContact CG1-CD1 4.05Å; I65-F89 HydrophobicContact CG1-CE1 4.01Å; L72-F89 HydrophobicContact CD1-CE1 3.68Å; L72-F89 HydrophobicContact CD1-CZ 3.78Å; L75-F89 HydrophobicContact CD2-CZ 4.38Å; F76-F89 HydrophobicContact CE1-CE2 4.14Å; F76-F89 AromaticContact CE1-CZ 3.83Å; F76-F89 HydrophobicContact CE1-CZ 3.83Å; F76-F89 HydrophobicContact CZ-CE2 4.14Å; F76-F89 AromaticContact CZ-CZ 3.74Å; F76-F89 HydrophobicContact CZ-CZ 3.74Å; Y87-F89 AromaticContact CD1-CE2 3.85Å; Y87-F89 HydrophobicContact CD1-CE2 3.85Å; Y87-F89 HydrophobicContact CD1-CZ 4.22Å; Y87-F89 HydrophobicContact CG-CE2 4.09Å; F89-G91 PolarHBondContact O-N 3.32Å; F89-Y93 HydrophobicContact CB-CE1 3.69Å; F89-Y93 HydrophobicContact CG-CE1 4.41Å; F89-L107 HydrophobicContact CD1-CD2 4.41Å; F89-L107 HydrophobicContact CD2-CD2 4.31Å; F89-L107 HydrophobicContact CE1-CD2 4.1Å; F89-L107 HydrophobicContact CE2-CD2 3.99Å; F89-L107 HydrophobicContact CZ-CD2 3.89Å; F89-F118 HydrophobicContact CD2-CE1 4.47Å; F89-F118 HydrophobicContact CD2-CE2 4.46Å; F89-F118 AromaticContact CD2-CZ 3.96Å; F89-F118 HydrophobicContact CD2-CZ 3.96Å; F89-F118 HydrophobicContact CE2-CE1 4.43Å; F89-F118 AromaticContact CE2-CE2 3.8Å; F89-F118 HydrophobicContact CE2-CE2 3.8Å; F89-F118 AromaticContact CE2-CZ 3.51Å; F89-F118 HydrophobicContact CE2-CZ 3.51Å; F89-F118 HydrophobicContact CZ-CZ 4.4Å; F89-F119 PolarHBondContact N-O 3.21Å; F89-L120 HydrophobicContact CB-CD2 3.77Å; F89-L120 HydrophobicContact CD2-CD2 3.88Å; F89-L120 HydrophobicContact CG-CD2 3.99Å; F89-L121 WeakPolarHBondContact O-CB 3.23Å; F89-L121 PolarHBondContact O-N 2.71Å
90L98.9Very high97.9Very high0 Ų029.5 Ų29.50%015%0.154CC..  trans-91.310.8-173.4-59.2177.1000113.8I61 C62 L88 L121 C171 H173 A247 L266I61-L90 HydrophobicContact CG2-CD1 3.81Å; I61-L90 HydrophobicContact CG2-CD2 3.79Å; I61-L90 HydrophobicContact CG2-CG 3.73Å; C62-L90 WeakPolarHBondContact O-CB 3.48Å; C62-L90 WeakPolarHBondContact O-CG 3.15Å; C62-L90 PolarHBondContact O-N 2.83Å; L88-L90 HydrophobicContact CD2-CD2 4.24Å; L88-L90 HydrophobicContact CG-CD2 4.37Å; L90-L121 HydrophobicContact CD2-CD1 3.9Å; L90-C171 HydrophobicContact CD2-CB 3.89Å; L90-H173 WeakPolarHBondContact O-CA 3.43Å; L90-H173 WeakPolarHBondContact O-CB 3.48Å; L90-H173 VanDerWaalsContact O-CG 3.3Å; L90-H173 PolarHBondContact O-ND1 3.41Å; L90-A247 HydrophobicContact CB-CB 3.74Å; L90-A247 HydrophobicContact CD1-CB 3.95Å; L90-L266 HydrophobicContact CD1-CB 4.45Å; L90-L266 HydrophobicContact CD1-CD1 4.32Å
91G98.8Very high98Very high0 Ų028 Ų280%014%0.142CC..SBendtrans106.2-172.8-179.800000114.8F89 Y93F89-G91 PolarHBondContact O-N 3.32Å; G91-Y93 PolarHBondContact N-OH 3.19Å
92D98.8Very high98Very high2 Ų226.6 Ų26.61%0.01114%0.135CC..  trans57.660.9177.7-8116.6000112.7D64 I65 H66 G123 N124 H125 E126 H173D64-D92 HydrophobicContact CB-CB 3.97Å; I65-D92 PolarHBondContact N-O 3.15Å; H66-D92 IonicContact CE1-OD2 3.32Å; H66-D92 PolarHBondContact CE1-OD2 3.01Å; H66-D92 VanDerWaalsContact CE1-OD2 3.31Å; H66-D92 PolarHBondContact N-O 2.85Å; H66-D92 IonicContact NE2-OD2 3.73Å; H66-D92 PolarHBondContact NE2-OD2 3.05Å; D92-G123 VanDerWaalsContact OD1-C 3.23Å; D92-G123 VanDerWaalsContact OD1-CA 3.27Å; D92-G123 WeakPolarHBondContact OD1-CA 3.27Å; D92-N124 PolarHBondContact OD1-N 2.9Å; D92-N124 PolarHBondContact OD1-OD1 3.48Å; D92-N124 PolarHBondContact OD2-OD1 3.13Å; D92-N124 VanDerWaalsContact OD2-OD1 3.13Å; D92-H125 WeakPolarHBondContact OD1-CB 3.23Å; D92-H125 IonicContact OD1-CD2 3.94Å; D92-H125 IonicContact OD1-CG 3.46Å; D92-H125 PolarHBondContact OD1-N 3.21Å; D92-H125 IonicContact OD2-CD2 3.01Å; D92-H125 PolarHBondContact OD2-CD2 2.89Å; D92-H125 IonicContact OD2-CG 3.72Å; D92-H125 IonicContact OD2-NE2 3.08Å; D92-E126 PolarHBondContact N-OE2 3.04Å; D92-H173 IonicContact OD1-CE1 3.99Å; D92-H173 IonicContact OD1-NE2 3.89Å; D92-H173 PolarHBondContact OD1-NE2 3.25Å; D92-H173 IonicContact OD2-CE1 2.74Å; D92-H173 PolarHBondContact OD2-CE1 3.3Å; D92-H173 IonicContact OD2-NE2 3.3Å; D92-H173 PolarHBondContact OD2-NE2 3.47Å
93Y98.9Very high98.1Very high1 Ų126.1 Ų26.10%0.00413%0.132CC..  trans-83.7-34.3-178.9-47.2-53.4000112.1G67 F89 G91 T103 I104 L107 L120 L121 E126 L159G67-Y93 PolarHBondContact N-O 2.75Å; F89-Y93 HydrophobicContact CB-CE1 3.69Å; F89-Y93 HydrophobicContact CG-CE1 4.41Å; G91-Y93 PolarHBondContact N-OH 3.19Å; Y93-T103 WeakPolarHBondContact O-CG2 3.38Å; Y93-I104 HydrophobicContact CD2-CD1 3.73Å; Y93-I104 HydrophobicContact CG-CD1 4.01Å; Y93-L107 HydrophobicContact CD1-CD1 3.36Å; Y93-L107 HydrophobicContact CE1-CD1 3.94Å; Y93-L107 HydrophobicContact CG-CD1 3.81Å; Y93-L120 HydrophobicContact CE1-CD2 4.05Å; Y93-L120 WeakPolarHBondContact OH-CA 3.32Å; Y93-L120 WeakPolarHBondContact OH-CB 3.18Å; Y93-L121 WeakPolarHBondContact CE2-O 3.41Å; Y93-L121 VanDerWaalsContact CZ-O 3.3Å; Y93-L121 PolarHBondContact OH-N 3.44Å; Y93-L121 VanDerWaalsContact OH-N 3.14Å; Y93-L121 PolarHBondContact OH-O 3.31Å; Y93-E126 HydrophobicContact CD2-CG 3.64Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.23Å; Y93-E126 HydrophobicContact CE2-CG 3.98Å; Y93-E126 PolarHBondContact N-OE1 3.15Å; Y93-L159 HydrophobicContact CE2-CD1 4.17Å
94V98.8Very high98.1Very high0 Ų022.9 Ų22.90%011%0.111CC..SBendtrans-111.3178-171-57.60000111.8H66 I104 H125 N131 F136 F156H66-V94 PolarHBondContact ND1-O 2.88Å; V94-I104 HydrophobicContact CG1-CB 4.08Å; V94-I104 HydrophobicContact CG1-CG2 4.33Å; V94-H125 HydrophobicContact CG2-CB 4.45Å; V94-N131 HydrophobicContact CG2-CB 4.16Å; V94-F136 HydrophobicContact CB-CB 4.01Å; V94-F136 HydrophobicContact CB-CD1 4.25Å; V94-F136 HydrophobicContact CB-CD2 3.91Å; V94-F136 HydrophobicContact CB-CE2 4.42Å; V94-F136 HydrophobicContact CB-CG 3.8Å; V94-F136 HydrophobicContact CG1-CD1 4.25Å; V94-F136 HydrophobicContact CG1-CD2 3.85Å; V94-F136 HydrophobicContact CG1-CE1 4.25Å; V94-F136 HydrophobicContact CG1-CE2 3.85Å; V94-F136 HydrophobicContact CG1-CG 4.05Å; V94-F136 HydrophobicContact CG1-CZ 4.05Å; V94-F136 HydrophobicContact CG2-CB 4.1Å; V94-F136 HydrophobicContact CG2-CD1 4.12Å; V94-F136 HydrophobicContact CG2-CG 4.04Å; V94-F156 HydrophobicContact CG1-CZ 4.01Å; V94-F156 HydrophobicContact CG2-CE2 4.36Å
95D98.4Very high98.2Very high0 Ų015.4 Ų15.40%08%0.076CC..SBendtrans68.5164.9-177.5-64.6-36.1000114.8H66 G97 S100 H125 N131 Y134 G135 F136H66-D95 CarbonylContact C-O 3.5Å; H66-D95 WeakPolarHBondContact CA-O 3.07Å; H66-D95 WeakPolarHBondContact CB-O 3.28Å; H66-D95 VanDerWaalsContact O-O 3.09Å; D95-G97 PolarHBondContact O-N 3.44Å; D95-S100 PolarHBondContact N-OG 2.81Å; D95-S100 VanDerWaalsContact N-OG 3.09Å; D95-H125 VanDerWaalsContact CB-ND1 3.34Å; D95-H125 WeakPolarHBondContact CB-ND1 3.46Å; D95-H125 IonicContact OD2-CE1 3.34Å; D95-H125 IonicContact OD2-CG 3.04Å; D95-H125 IonicContact OD2-ND1 3.48Å; D95-H125 PolarHBondContact OD2-ND1 3.26Å; D95-N131 WeakPolarHBondContact OD1-CA 3.38Å; D95-N131 WeakPolarHBondContact OD1-CB 3.47Å; D95-N131 WeakPolarHBondContact OD2-CA 3.36Å; D95-N131 WeakPolarHBondContact OD2-CB 3.09Å; D95-Y134 WeakPolarHBondContact CB-O 3.48Å; D95-Y134 VanDerWaalsContact OD1-C 3.28Å; D95-G135 PolarHBondContact OD1-N 3.25Å; D95-F136 WeakPolarHBondContact OD1-CB 3.39Å; D95-F136 PolarHBondContact OD1-N 2.91Å
96R95.5Very high98.2Very high58 Ų5814.7 Ų14.722%0.2197%0.071CC..SBendtrans65.1-50.4174.9-51.5-69.8-168106.118.4115.1H66 Y134 Y272H66-R96 HydrophobicContact CB-CB 4.37Å; R96-Y134 PolarHBondContact N-O 2.86Å; R96-Y272 HydrophobicContact CB-CE2 4.36Å; R96-Y272 WeakPolarHBondContact CG-OH 3.23Å
97G94.7Very high98.2Very high22 Ų2213 Ų1323%0.2276%0.061CC..SBendtrans-76.3179.5173.900000113.7H66 D95H66-G97 WeakPolarHBondContact O-CA 3.41Å; H66-G97 PolarHBondContact O-N 2.84Å; D95-G97 PolarHBondContact O-N 3.44Å
98K94.9Very high98.2Very high180 Ų18013 Ų1378%0.7836%0.061SC*.SBendtrans-94-17.8-167.3-64179.8-179.1175.80114.4
99Q97.9Very high98.2Very high8 Ų813 Ų134%0.0376%0.061CC..  trans-137.453.9-168.4-63.2-170-9300110.4K26 N27 G67 Y70 L101 E102 T103K26-Q99 PolarHBondContact O-NE2 3.48Å; N27-Q99 PolarHBondContact OD1-NE2 3.44Å; G67-Q99 CarbonylContact O-C 3.58Å; G67-Q99 PolarHBondContact O-N 3.3Å; G67-Q99 VanDerWaalsContact O-N 3.09Å; Y70-Q99 VanDerWaalsContact CD2-OE1 3.29Å; Q99-L101 VanDerWaalsContact C-N 3.27Å; Q99-L101 PolarHBondContact O-N 3.29Å; Q99-E102 HydrophobicContact CB-CB 4.45Å; Q99-T103 WeakPolarHBondContact O-CB 3.32Å; Q99-T103 PolarHBondContact O-N 3.02Å; Q99-T103 VanDerWaalsContact O-N 3.14Å; Q99-T103 PolarHBondContact O-OG1 3.25Å
100S98.7Very high98.2Very high0 Ų013.1 Ų13.10%06%0.062CC..Hα-helixtrans-63.8-36.7178.1-56.40000110.8D95 T103 I104 E139D95-S100 PolarHBondContact N-OG 2.81Å; D95-S100 VanDerWaalsContact N-OG 3.09Å; S100-T103 WeakPolarHBondContact O-CB 3.37Å; S100-T103 PolarHBondContact O-N 2.85Å; S100-I104 VanDerWaalsContact O-CG2 3.27Å; S100-I104 WeakPolarHBondContact O-CG2 3.5Å; S100-I104 PolarHBondContact O-N 2.9Å; S100-E139 WeakPolarHBondContact CA-OE2 3.24Å; S100-E139 WeakPolarHBondContact CB-OE2 3.38Å; S100-E139 PolarHBondContact N-OE1 3.41Å; S100-E139 PolarHBondContact N-OE2 2.85Å; S100-E139 PolarHBondContact OG-OE2 3.22Å
101L98.7Very high98.2Very high0 Ų013.2 Ų13.20%06%0.062CC..Hα-helixtrans-62.5-49.4179.2-78.1161.1000112.3Q99 T103 C105 F136 E139 R143 Y144 F152Q99-L101 VanDerWaalsContact C-N 3.27Å; Q99-L101 PolarHBondContact O-N 3.29Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 2.89Å; L101-C105 WeakPolarHBondContact O-CB 3.41Å; L101-C105 PolarHBondContact O-N 2.75Å; L101-C105 PolarHBondContact O-SG 3.46Å; L101-F136 HydrophobicContact CD2-CE2 4.01Å; L101-F136 HydrophobicContact CD2-CZ 4.46Å; L101-F136 HydrophobicContact CG-CE2 4.14Å; L101-E139 WeakPolarHBondContact CB-OE1 3.42Å; L101-E139 HydrophobicContact CD1-CG 3.86Å; L101-E139 WeakPolarHBondContact CD1-OE1 3.49Å; L101-E139 HydrophobicContact CG-CG 4.4Å; L101-E139 PolarHBondContact N-OE1 3.37Å; L101-R143 HydrophobicContact CD1-CB 4.12Å; L101-R143 HydrophobicContact CD1-CG 4.49Å; L101-Y144 HydrophobicContact CD1-CD2 3.89Å; L101-Y144 HydrophobicContact CD1-CE2 3.83Å; L101-Y144 HydrophobicContact CD2-CD2 4.49Å; L101-Y144 HydrophobicContact CD2-CE2 4.47Å; L101-F152 HydrophobicContact CD2-CE2 3.55Å; L101-F152 HydrophobicContact CD2-CZ 3.84Å
102E98.7Very high98.2Very high0 Ų014.3 Ų14.30%07%0.068CC..Hα-helixtrans-62.2-41.8176.2-73.481177.700111.9L16 N27 V28 Y69 Q99 C105 L106 R143L16-E102 HydrophobicContact CD2-CB 4.18Å; L16-E102 HydrophobicContact CD2-CG 4.2Å; N27-E102 VanDerWaalsContact CA-OE1 3.25Å; N27-E102 WeakPolarHBondContact CA-OE1 3.5Å; N27-E102 WeakPolarHBondContact CB-OE1 3.35Å; V28-E102 HydrophobicContact CB-CG 3.94Å; V28-E102 HydrophobicContact CG2-CG 3.93Å; V28-E102 PolarHBondContact N-OE1 3.04Å; Y69-E102 HydrophobicContact CD1-CB 3.56Å; Y69-E102 HydrophobicContact CD1-CG 4.09Å; Y69-E102 HydrophobicContact CD2-CB 3.69Å; Y69-E102 HydrophobicContact CE1-CB 3.68Å; Y69-E102 HydrophobicContact CE1-CG 4.07Å; Y69-E102 HydrophobicContact CE2-CB 3.82Å; Y69-E102 WeakPolarHBondContact CE2-O 3.25Å; Y69-E102 HydrophobicContact CG-CB 3.55Å; Q99-E102 HydrophobicContact CB-CB 4.45Å; E102-C105 PolarHBondContact O-N 2.9Å; E102-L106 WeakPolarHBondContact O-CB 3.47Å; E102-L106 PolarHBondContact O-N 3.27Å; E102-R143 VanDerWaalsContact CD-NH1 3.28Å; E102-R143 IonicContact OE1-CZ 3.57Å; E102-R143 VanDerWaalsContact OE1-CZ 3.31Å; E102-R143 IonicContact OE1-NH1 2.73Å; E102-R143 PolarHBondContact OE1-NH1 3.04Å; E102-R143 VanDerWaalsContact OE1-NH1 3.08Å; E102-R143 IonicContact OE1-NH2 3.75Å; E102-R143 PolarHBondContact OE1-NH2 3.21Å; E102-R143 IonicContact OE2-CZ 3.65Å; E102-R143 IonicContact OE2-NH1 2.76Å; E102-R143 PolarHBondContact OE2-NH1 3.2Å; E102-R143 IonicContact OE2-NH2 3.39Å
103T98.8Very high98.2Very high0 Ų017.9 Ų17.90%08%0.083CC..Hα-helixtrans-56.9-60178.1-58.80000110.4I65 G67 Y69 L72 Y93 Q99 S100 L101 C105 L106 L107I65-T103 HydrophobicContact CB-CG2 4.24Å; I65-T103 HydrophobicContact CG2-CG2 3.53Å; G67-T103 WeakPolarHBondContact CA-OG1 3.37Å; Y69-T103 WeakPolarHBondContact CA-OG1 3.2Å; Y69-T103 WeakPolarHBondContact CB-OG1 3.26Å; L72-T103 HydrophobicContact CD2-CG2 3.97Å; Y93-T103 WeakPolarHBondContact O-CG2 3.38Å; Q99-T103 WeakPolarHBondContact O-CB 3.32Å; Q99-T103 PolarHBondContact O-N 3.02Å; Q99-T103 VanDerWaalsContact O-N 3.14Å; Q99-T103 PolarHBondContact O-OG1 3.25Å; S100-T103 WeakPolarHBondContact O-CB 3.37Å; S100-T103 PolarHBondContact O-N 2.85Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 2.89Å; T103-C105 PolarHBondContact O-N 2.95Å; T103-L106 PolarHBondContact O-N 2.78Å; T103-L107 HydrophobicContact CG2-CD1 4.27Å; T103-L107 VanDerWaalsContact O-CG 3.32Å; T103-L107 WeakPolarHBondContact O-CG 3.19Å; T103-L107 PolarHBondContact O-N 3.41Å
104I98.8Very high98.1Very high1 Ų120.3 Ų20.31%0.0059%0.093CC..Hα-helixtrans-67.2-36.5-177.3-168.157.5000112.1Y93 V94 S100 L106 L107 L108 F136 F152 F156Y93-I104 HydrophobicContact CD2-CD1 3.73Å; Y93-I104 HydrophobicContact CG-CD1 4.01Å; V94-I104 HydrophobicContact CG1-CB 4.08Å; V94-I104 HydrophobicContact CG1-CG2 4.33Å; S100-I104 VanDerWaalsContact O-CG2 3.27Å; S100-I104 WeakPolarHBondContact O-CG2 3.5Å; S100-I104 PolarHBondContact O-N 2.9Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 2.65Å; I104-L107 PolarHBondContact O-N 2.9Å; I104-L108 HydrophobicContact CD1-CD2 4.23Å; I104-L108 HydrophobicContact CD1-CG 4.11Å; I104-L108 HydrophobicContact CG1-CD1 4.12Å; I104-L108 HydrophobicContact CG1-CG 4.07Å; I104-L108 WeakPolarHBondContact O-CB 3.41Å; I104-L108 VanDerWaalsContact O-CG 3.27Å; I104-L108 WeakPolarHBondContact O-CG 3.33Å; I104-L108 PolarHBondContact O-N 2.81Å; I104-F136 HydrophobicContact CG2-CE2 4.31Å; I104-F136 HydrophobicContact CG2-CZ 4.25Å; I104-F152 HydrophobicContact CG1-CD1 4.48Å; I104-F152 HydrophobicContact CG1-CE1 4.22Å; I104-F152 HydrophobicContact CG2-CD1 4.27Å; I104-F152 HydrophobicContact CG2-CE1 3.52Å; I104-F152 HydrophobicContact CG2-CZ 3.9Å; I104-F156 HydrophobicContact CD1-CE1 3.83Å; I104-F156 HydrophobicContact CD1-CZ 4.37Å; I104-F156 HydrophobicContact CG1-CE1 3.74Å; I104-F156 HydrophobicContact CG1-CZ 3.99Å
105C98.8Very high98.1Very high0 Ų022.2 Ų22.20%011%0.105CC..Hα-helixtrans-63.9-39.4178.8-70.10000112.1L16 M30 L38 L101 E102 T103 A109L16-C105 HydrophobicContact CD1-CB 4.2Å; M30-C105 HydrophobicContact CE-CB 3.71Å; M30-C105 HydrophobicContact SD-CB 3.73Å; L38-C105 HydrophobicContact CD1-CB 3.82Å; L101-C105 WeakPolarHBondContact O-CB 3.41Å; L101-C105 PolarHBondContact O-N 2.75Å; L101-C105 PolarHBondContact O-SG 3.46Å; E102-C105 PolarHBondContact O-N 2.9Å; T103-C105 PolarHBondContact O-N 2.95Å; C105-A109 VanDerWaalsContact O-CB 3.23Å; C105-A109 WeakPolarHBondContact O-CB 3.25Å; C105-A109 PolarHBondContact O-N 3.24Å
106L98.8Very high98.1Very high0 Ų028.2 Ų28.20%013%0.133CC..Hα-helixtrans-65.7-45.3175.9-177.460.2000111.4L16 L17 Y69 L72 L73 F76 E102 T103 I104 A109 Y110L16-L106 HydrophobicContact CB-CD1 4.07Å; L16-L106 HydrophobicContact CD1-CB 4.07Å; L16-L106 HydrophobicContact CD1-CD1 4.23Å; L17-L106 HydrophobicContact CD2-CD1 4.15Å; L17-L106 HydrophobicContact CD2-CD2 4.09Å; Y69-L106 HydrophobicContact CE2-CB 4.06Å; Y69-L106 HydrophobicContact CE2-CD2 3.76Å; L72-L106 HydrophobicContact CD2-CD2 4.32Å; L73-L106 HydrophobicContact CD2-CD2 3.74Å; F76-L106 HydrophobicContact CD2-CD2 4.38Å; F76-L106 HydrophobicContact CE2-CD2 4.03Å; E102-L106 WeakPolarHBondContact O-CB 3.47Å; E102-L106 PolarHBondContact O-N 3.27Å; T103-L106 PolarHBondContact O-N 2.78Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 2.65Å; L106-A109 PolarHBondContact O-N 2.96Å; L106-Y110 HydrophobicContact CD1-CD2 3.9Å; L106-Y110 HydrophobicContact CD1-CE2 3.46Å; L106-Y110 VanDerWaalsContact CD1-CE2 3.46Å; L106-Y110 HydrophobicContact CD2-CE2 4.06Å; L106-Y110 HydrophobicContact CG-CD2 3.87Å; L106-Y110 HydrophobicContact CG-CE2 3.62Å; L106-Y110 WeakPolarHBondContact O-CD2 3.44Å; L106-Y110 PolarHBondContact O-N 2.9Å
107L98.9Very high98.3Very high0 Ų028.4 Ų28.40%014%0.139CC..Hα-helixtrans-61.3-45.1178-64.7177.9000111.8L72 F76 F89 Y93 T103 I104 Y110 K111 F118 L120L72-L107 HydrophobicContact CD1-CD2 4.21Å; L72-L107 HydrophobicContact CD2-CD2 3.95Å; L72-L107 HydrophobicContact CD2-CG 4.11Å; F76-L107 HydrophobicContact CZ-CD2 4.23Å; F89-L107 HydrophobicContact CD1-CD2 4.41Å; F89-L107 HydrophobicContact CD2-CD2 4.31Å; F89-L107 HydrophobicContact CE1-CD2 4.1Å; F89-L107 HydrophobicContact CE2-CD2 3.99Å; F89-L107 HydrophobicContact CZ-CD2 3.89Å; Y93-L107 HydrophobicContact CD1-CD1 3.36Å; Y93-L107 HydrophobicContact CE1-CD1 3.94Å; Y93-L107 HydrophobicContact CG-CD1 3.81Å; T103-L107 HydrophobicContact CG2-CD1 4.27Å; T103-L107 VanDerWaalsContact O-CG 3.32Å; T103-L107 WeakPolarHBondContact O-CG 3.19Å; T103-L107 PolarHBondContact O-N 3.41Å; I104-L107 PolarHBondContact O-N 2.9Å; L107-Y110 PolarHBondContact O-N 3.21Å; L107-K111 PolarHBondContact O-N 2.83Å; L107-F118 HydrophobicContact CB-CE1 4.36Å; L107-F118 HydrophobicContact CD2-CE1 4.04Å; L107-F118 HydrophobicContact CD2-CZ 3.63Å; L107-F118 WeakPolarHBondContact O-CE1 3.22Å; L107-L120 HydrophobicContact CB-CD1 3.89Å; L107-L120 HydrophobicContact CB-CD2 4.12Å; L107-L120 HydrophobicContact CD1-CD2 4.32Å; L107-L120 HydrophobicContact CD2-CD2 4.3Å; L107-L120 HydrophobicContact CG-CD2 4.48Å
108L98.9Very high98.5Very high1 Ų127.4 Ų27.41%0.00513%0.128CC..Hα-helixtrans-65.7-39.5176.1-64.7-175.8000112L38 F46 I104 K111 I112 L120 F152L38-L108 HydrophobicContact CB-CB 4.43Å; F46-L108 HydrophobicContact CE2-CD2 3.93Å; F46-L108 HydrophobicContact CZ-CD2 3.9Å; I104-L108 HydrophobicContact CD1-CD2 4.23Å; I104-L108 HydrophobicContact CD1-CG 4.11Å; I104-L108 HydrophobicContact CG1-CD1 4.12Å; I104-L108 HydrophobicContact CG1-CG 4.07Å; I104-L108 WeakPolarHBondContact O-CB 3.41Å; I104-L108 VanDerWaalsContact O-CG 3.27Å; I104-L108 WeakPolarHBondContact O-CG 3.33Å; I104-L108 PolarHBondContact O-N 2.81Å; L108-K111 PolarHBondContact O-N 2.83Å; L108-I112 WeakPolarHBondContact O-CD1 3.38Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.2Å; L108-I112 PolarHBondContact O-N 3.29Å; L108-L120 HydrophobicContact CD2-CD1 4.22Å; L108-F152 HydrophobicContact CD1-CE1 4.24Å
109A98.7Very high98.7Very high0 Ų019.8 Ų19.80%010%0.095CC..Hα-helixtrans-62.9-42.1176.600000111.7I9 V12 I13 L38 C105 L106 I112 K113I9-A109 HydrophobicContact CG2-CB 4.41Å; V12-A109 HydrophobicContact CG1-CB 4.42Å; I13-A109 HydrophobicContact CD1-CB 4.18Å; I13-A109 HydrophobicContact CG1-CB 3.64Å; L38-A109 HydrophobicContact CD2-CB 3.92Å; C105-A109 VanDerWaalsContact O-CB 3.23Å; C105-A109 WeakPolarHBondContact O-CB 3.25Å; C105-A109 PolarHBondContact O-N 3.24Å; L106-A109 PolarHBondContact O-N 2.96Å; A109-I112 PolarHBondContact O-N 2.82Å; A109-K113 WeakPolarHBondContact O-CB 3.31Å; A109-K113 PolarHBondContact O-N 2.93Å
110Y98.8Very high98.7Very high3 Ų319.4 Ų19.41%0.0129%0.093CC..Hα-helixtrans-65.8-38.6172.6-77.1-46.3000112.9I13 L17 F76 F81 P82 L106 L107 I112 K113 Y114 F118I13-Y110 HydrophobicContact CD1-CD1 4.06Å; I13-Y110 HydrophobicContact CD1-CE1 4.21Å; I13-Y110 HydrophobicContact CG2-CE1 4.09Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.32Å; F76-Y110 HydrophobicContact CD2-CE2 4.33Å; F76-Y110 HydrophobicContact CE2-CD2 4.26Å; F76-Y110 AromaticContact CE2-CE2 3.85Å; F76-Y110 HydrophobicContact CE2-CE2 3.85Å; F76-Y110 HydrophobicContact CZ-CD2 4.22Å; F76-Y110 HydrophobicContact CZ-CE2 4.16Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.3Å; P82-Y110 HydrophobicContact CB-CD1 3.87Å; P82-Y110 HydrophobicContact CB-CE1 4Å; P82-Y110 HydrophobicContact CB-CG 4.26Å; P82-Y110 HydrophobicContact CG-CD1 4.06Å; P82-Y110 HydrophobicContact CG-CD2 4.04Å; P82-Y110 HydrophobicContact CG-CE1 4.13Å; P82-Y110 HydrophobicContact CG-CE2 4.11Å; P82-Y110 HydrophobicContact CG-CG 4.02Å; L106-Y110 HydrophobicContact CD1-CD2 3.9Å; L106-Y110 HydrophobicContact CD1-CE2 3.46Å; L106-Y110 VanDerWaalsContact CD1-CE2 3.46Å; L106-Y110 HydrophobicContact CD2-CE2 4.06Å; L106-Y110 HydrophobicContact CG-CD2 3.87Å; L106-Y110 HydrophobicContact CG-CE2 3.62Å; L106-Y110 WeakPolarHBondContact O-CD2 3.44Å; L106-Y110 PolarHBondContact O-N 2.9Å; L107-Y110 PolarHBondContact O-N 3.21Å; Y110-I112 VanDerWaalsContact C-N 3.27Å; Y110-I112 PolarHBondContact O-N 3.05Å; Y110-K113 PolarHBondContact O-N 2.76Å; Y110-Y114 AromaticContact CD1-CD2 3.91Å; Y110-Y114 HydrophobicContact CD1-CD2 3.91Å; Y110-Y114 AromaticContact CD1-CE2 3.75Å; Y110-Y114 HydrophobicContact CD1-CE2 3.75Å; Y110-Y114 HydrophobicContact CE1-CE2 4.1Å; Y110-Y114 PolarHBondContact O-N 3.21Å; Y110-F118 HydrophobicContact CD2-CE2 4.22Å; Y110-F118 HydrophobicContact CD2-CZ 4.21Å; Y110-F118 HydrophobicContact CG-CE2 4.37Å; Y110-F118 HydrophobicContact CG-CZ 4.48Å
111K98.8Very high98.7Very high1 Ų119.4 Ų19.40%0.0049%0.093CC..Hα-helixtrans-59.5-39.4173.4-179.259178.91710112.3I45 F46 Q49 L107 L108 P115 F118 L120I45-K111 HydrophobicContact CG2-CD 4.42Å; I45-K111 HydrophobicContact CG2-CG 4.46Å; F46-K111 HydrophobicContact CD1-CG 4.44Å; F46-K111 HydrophobicContact CE1-CD 4.04Å; F46-K111 HydrophobicContact CE1-CG 3.67Å; F46-K111 HydrophobicContact CZ-CG 3.97Å; Q49-K111 VanDerWaalsContact OE1-CE 3.29Å; L107-K111 PolarHBondContact O-N 2.83Å; L108-K111 PolarHBondContact O-N 2.83Å; K111-P115 PolarHBondContact NZ-O 3.14Å; K111-P115 WeakPolarHBondContact O-CA 3.32Å; K111-F118 HydrophobicContact CB-CD1 4.33Å; K111-F118 WeakPolarHBondContact CD-O 3.5Å; K111-F118 PolarHBondContact NZ-O 2.98Å; K111-L120 HydrophobicContact CB-CD1 4.29Å
112I98.7Very high98.7Very high24 Ų2419.5 Ų19.512%0.1239%0.094CC..Hα-helixtrans-71.4-41.1177.6-64.6159000111.2I9 L38 K41 I45 L108 A109 Y110I9-I112 HydrophobicContact CD1-CB 4.28Å; I9-I112 HydrophobicContact CD1-CD1 3.89Å; I9-I112 HydrophobicContact CD1-CG2 3.82Å; I9-I112 HydrophobicContact CG1-CG2 3.78Å; L38-I112 HydrophobicContact CB-CD1 4.38Å; L38-I112 HydrophobicContact CD2-CD1 3.79Å; L38-I112 WeakPolarHBondContact O-CD1 3.21Å; K41-I112 HydrophobicContact CB-CD1 3.86Å; K41-I112 HydrophobicContact CB-CG1 4.13Å; K41-I112 HydrophobicContact CG-CD1 4.17Å; K41-I112 HydrophobicContact CG-CG1 3.98Å; K41-I112 HydrophobicContact CG-CG2 3.8Å; I45-I112 HydrophobicContact CD1-CB 4.25Å; I45-I112 HydrophobicContact CD1-CG1 4.03Å; I45-I112 HydrophobicContact CD1-CG2 4.47Å; L108-I112 WeakPolarHBondContact O-CD1 3.38Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.2Å; L108-I112 PolarHBondContact O-N 3.29Å; A109-I112 PolarHBondContact O-N 2.82Å; Y110-I112 VanDerWaalsContact C-N 3.27Å; Y110-I112 PolarHBondContact O-N 3.05Å
113K98.5Very high98.7Very high76 Ų7619.5 Ų19.533%0.339%0.094SC..Hα-helixtrans-72.1-37.2-177.3-173.167.4-178.8-1720112.5I9 D10 I13 A109 Y110I9-K113 HydrophobicContact CG2-CB 4.1Å; I9-K113 HydrophobicContact CG2-CD 4.49Å; D10-K113 WeakPolarHBondContact OD1-CD 3.25Å; D10-K113 WeakPolarHBondContact OD1-CE 3.14Å; D10-K113 IonicContact OD1-NZ 3.64Å; D10-K113 PolarHBondContact OD1-NZ 3.19Å; D10-K113 IonicContact OD2-NZ 3.79Å; D10-K113 PolarHBondContact OD2-NZ 3.49Å; I13-K113 HydrophobicContact CD1-CB 3.99Å; I13-K113 HydrophobicContact CD1-CG 4.21Å; A109-K113 WeakPolarHBondContact O-CB 3.31Å; A109-K113 PolarHBondContact O-N 2.93Å; Y110-K113 PolarHBondContact O-N 2.76Å
114Y98.6Very high98.7Very high52 Ų5219.5 Ų19.520%0.2049%0.094CC..  trans-132.262.8-173.3-50.1-63.9000111.2P82 P83 Y110 E116 N117 F118P82-Y114 HydrophobicContact CB-CD2 3.72Å; P82-Y114 HydrophobicContact CB-CE2 3.88Å; P83-Y114 HydrophobicContact CB-CD1 3.79Å; P83-Y114 HydrophobicContact CB-CE1 3.7Å; P83-Y114 HydrophobicContact CB-CE2 4.43Å; P83-Y114 HydrophobicContact CB-CG 4.22Å; P83-Y114 WeakPolarHBondContact CD-OH 3.49Å; P83-Y114 HydrophobicContact CG-CD1 4.25Å; P83-Y114 HydrophobicContact CG-CE1 3.64Å; Y110-Y114 AromaticContact CD1-CD2 3.91Å; Y110-Y114 HydrophobicContact CD1-CD2 3.91Å; Y110-Y114 AromaticContact CD1-CE2 3.75Å; Y110-Y114 HydrophobicContact CD1-CE2 3.75Å; Y110-Y114 HydrophobicContact CE1-CE2 4.1Å; Y110-Y114 PolarHBondContact O-N 3.21Å; Y114-E116 PolarHBondContact O-N 3.32Å; Y114-E116 VanDerWaalsContact O-N 3.11Å; Y114-N117 PolarHBondContact O-N 2.57Å; Y114-N117 VanDerWaalsContact O-N 3.1Å; Y114-F118 WeakPolarHBondContact O-CB 3.32Å; Y114-F118 PolarHBondContact O-N 3Å
115P98.5Very high98.7Very high40 Ų4019.6 Ų19.626%0.269%0.094SC..THydrogen-bonded Turntrans-61.2-25.3-170.724.3-34.5000114.4I45 Q49 K111I45-P115 HydrophobicContact CD1-CB 4.47Å; I45-P115 HydrophobicContact CG2-CB 3.93Å; Q49-P115 PolarHBondContact NE2-O 2.97Å; K111-P115 PolarHBondContact NZ-O 3.14Å; K111-P115 WeakPolarHBondContact O-CA 3.32Å
116E98.4Very high98.7Very high126 Ų12619.6 Ų19.659%0.5899%0.094SC*.THydrogen-bonded Turntrans-102.72.7-178.6-52-49.3129.700113.5Q49 Y114 F119Q49-E116 PolarHBondContact NE2-OE1 3.4Å; Y114-E116 PolarHBondContact O-N 3.32Å; Y114-E116 VanDerWaalsContact O-N 3.11Å; E116-F119 VanDerWaalsContact C-CZ 3.49Å; E116-F119 WeakPolarHBondContact O-CZ 3.49Å
117N98.5Very high98.6Very high63 Ų6319.6 Ų19.634%0.3379%0.094SC..THydrogen-bonded Turntrans-127.1-9.3179.4-58.292.4000112.8N86 Y87 Y114N86-N117 CarbonylContact C-O 3.55Å; N86-N117 WeakPolarHBondContact CA-O 3.5Å; N86-N117 VanDerWaalsContact OD1-CB 3.26Å; N86-N117 WeakPolarHBondContact OD1-CB 3.38Å; N86-N117 PolarHBondContact OD1-ND2 2.92Å; Y87-N117 PolarHBondContact N-O 2.81Å; Y114-N117 PolarHBondContact O-N 2.57Å; Y114-N117 VanDerWaalsContact O-N 3.1Å
118F98.8Very high98.6Very high0 Ų020.6 Ų20.60%010%0.102CC..EExtended strand (participates in β ladder)trans-132.8119.6-175.7-161.1-90.7000110.3F76 P82 Y87 F89 L107 Y110 K111 Y114 L120F76-F118 HydrophobicContact CE1-CE2 4.04Å; F76-F118 AromaticContact CZ-CE2 3.99Å; F76-F118 HydrophobicContact CZ-CE2 3.99Å; F76-F118 HydrophobicContact CZ-CZ 4.06Å; P82-F118 HydrophobicContact CB-CD2 4.19Å; P82-F118 HydrophobicContact CG-CD2 3.63Å; P82-F118 HydrophobicContact CG-CE2 3.63Å; Y87-F118 HydrophobicContact CD2-CD2 4.31Å; Y87-F118 HydrophobicContact CD2-CE2 4.24Å; Y87-F118 HydrophobicContact CG-CD2 4.35Å; Y87-F118 HydrophobicContact CG-CE2 4.09Å; F89-F118 HydrophobicContact CD2-CE1 4.47Å; F89-F118 HydrophobicContact CD2-CE2 4.46Å; F89-F118 AromaticContact CD2-CZ 3.96Å; F89-F118 HydrophobicContact CD2-CZ 3.96Å; F89-F118 HydrophobicContact CE2-CE1 4.43Å; F89-F118 AromaticContact CE2-CE2 3.8Å; F89-F118 HydrophobicContact CE2-CE2 3.8Å; F89-F118 AromaticContact CE2-CZ 3.51Å; F89-F118 HydrophobicContact CE2-CZ 3.51Å; F89-F118 HydrophobicContact CZ-CZ 4.4Å; L107-F118 HydrophobicContact CB-CE1 4.36Å; L107-F118 HydrophobicContact CD2-CE1 4.04Å; L107-F118 HydrophobicContact CD2-CZ 3.63Å; L107-F118 WeakPolarHBondContact O-CE1 3.22Å; Y110-F118 HydrophobicContact CD2-CE2 4.22Å; Y110-F118 HydrophobicContact CD2-CZ 4.21Å; Y110-F118 HydrophobicContact CG-CE2 4.37Å; Y110-F118 HydrophobicContact CG-CZ 4.48Å; K111-F118 HydrophobicContact CB-CD1 4.33Å; K111-F118 WeakPolarHBondContact CD-O 3.5Å; K111-F118 PolarHBondContact NZ-O 2.98Å; Y114-F118 WeakPolarHBondContact O-CB 3.32Å; Y114-F118 PolarHBondContact O-N 3Å; F118-L120 HydrophobicContact CD1-CD2 4.4Å; F118-L120 HydrophobicContact CD1-CG 4.35Å; F118-L120 HydrophobicContact CE1-CD1 4.34Å; F118-L120 HydrophobicContact CE1-CD2 3.71Å; F118-L120 HydrophobicContact CE1-CG 4.06Å; F118-L120 HydrophobicContact CZ-CD2 4.43Å
119F98.9Very high98.5Very high20 Ų2022.2 Ų22.29%0.08811%0.114CC..EExtended strand (participates in β ladder)trans-128.8141-170.7-56.2-82.4000111L53 L55 Y87 L88 F89 E116L53-F119 HydrophobicContact CD1-CB 3.98Å; L53-F119 HydrophobicContact CD1-CD1 3.82Å; L53-F119 HydrophobicContact CD1-CG 4.23Å; L55-F119 HydrophobicContact CD1-CB 4.33Å; L55-F119 HydrophobicContact CD1-CD2 3.98Å; L55-F119 HydrophobicContact CD1-CE2 4.47Å; L55-F119 HydrophobicContact CD1-CG 4.05Å; L55-F119 HydrophobicContact CD2-CD1 3.74Å; L55-F119 HydrophobicContact CD2-CD2 3.87Å; L55-F119 HydrophobicContact CD2-CE1 3.51Å; L55-F119 HydrophobicContact CD2-CE2 3.66Å; L55-F119 HydrophobicContact CD2-CG 3.91Å; L55-F119 HydrophobicContact CD2-CZ 3.46Å; L55-F119 VanDerWaalsContact CD2-CZ 3.46Å; Y87-F119 PolarHBondContact O-N 3.04Å; L88-F119 WeakPolarHBondContact CA-O 3.18Å; L88-F119 HydrophobicContact CD1-CB 3.72Å; F89-F119 PolarHBondContact N-O 3.21Å; E116-F119 VanDerWaalsContact C-CZ 3.49Å; E116-F119 WeakPolarHBondContact O-CZ 3.49Å
120L99Very high98.5Very high1 Ų122.3 Ų22.31%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-132.7114.9-175.8-63.3177.6000107.8F46 F89 Y93 L107 L108 K111 F118 L159 P160F46-L120 HydrophobicContact CE1-CB 4.29Å; F46-L120 HydrophobicContact CZ-CB 4.44Å; F46-L120 HydrophobicContact CZ-CD1 4.14Å; F89-L120 HydrophobicContact CB-CD2 3.77Å; F89-L120 HydrophobicContact CD2-CD2 3.88Å; F89-L120 HydrophobicContact CG-CD2 3.99Å; Y93-L120 HydrophobicContact CE1-CD2 4.05Å; Y93-L120 WeakPolarHBondContact OH-CA 3.32Å; Y93-L120 WeakPolarHBondContact OH-CB 3.18Å; L107-L120 HydrophobicContact CB-CD1 3.89Å; L107-L120 HydrophobicContact CB-CD2 4.12Å; L107-L120 HydrophobicContact CD1-CD2 4.32Å; L107-L120 HydrophobicContact CD2-CD2 4.3Å; L107-L120 HydrophobicContact CG-CD2 4.48Å; L108-L120 HydrophobicContact CD2-CD1 4.22Å; K111-L120 HydrophobicContact CB-CD1 4.29Å; F118-L120 HydrophobicContact CD1-CD2 4.4Å; F118-L120 HydrophobicContact CD1-CG 4.35Å; F118-L120 HydrophobicContact CE1-CD1 4.34Å; F118-L120 HydrophobicContact CE1-CD2 3.71Å; F118-L120 HydrophobicContact CE1-CG 4.06Å; F118-L120 HydrophobicContact CZ-CD2 4.43Å; L120-L159 HydrophobicContact CB-CD2 3.99Å; L120-P160 VanDerWaalsContact O-CD 3.25Å; L120-P160 WeakPolarHBondContact O-CD 3.4Å; L120-P160 WeakPolarHBondContact O-CG 3.26Å
121L98.9Very high98.4Very high0 Ų022.2 Ų22.20%011%0.114CC..  trans-81.9177.9169.9-58.8-171.5000110.9L53 L88 F89 L90 Y93 P160 A163 C171L53-L121 HydrophobicContact CD1-CD2 3.96Å; L88-L121 HydrophobicContact CD1-CD1 4.26Å; L88-L121 HydrophobicContact CD1-CD2 4.06Å; L88-L121 HydrophobicContact CD1-CG 3.79Å; F89-L121 WeakPolarHBondContact O-CB 3.23Å; F89-L121 PolarHBondContact O-N 2.71Å; L90-L121 HydrophobicContact CD2-CD1 3.9Å; Y93-L121 WeakPolarHBondContact CE2-O 3.41Å; Y93-L121 VanDerWaalsContact CZ-O 3.3Å; Y93-L121 PolarHBondContact OH-N 3.44Å; Y93-L121 VanDerWaalsContact OH-N 3.14Å; Y93-L121 PolarHBondContact OH-O 3.31Å; L121-P160 CarbonylContact C-O 3.28Å; L121-P160 WeakPolarHBondContact CA-O 3.2Å; L121-P160 HydrophobicContact CD2-CB 4.28Å; L121-P160 HydrophobicContact CD2-CG 4.11Å; L121-A163 HydrophobicContact CD1-CB 4.42Å; L121-A163 HydrophobicContact CD2-CB 4.22Å; L121-C171 HydrophobicContact CD1-CB 4.28Å
122R98.9Very high98.4Very high1 Ų127 Ų270%0.00413%0.132CC..  trans-99.2124175.8-161.9177.9-174.9171.34.7110.2E126 F156 N157 L159 P160 I161 H173 T193 L205R122-E126 HydrophobicContact CG-CB 3.81Å; R122-E126 PolarHBondContact NE-O 2.73Å; R122-E126 PolarHBondContact NH2-O 3.16Å; R122-F156 PolarHBondContact NE-O 2.9Å; R122-N157 PolarHBondContact NH2-OD1 2.99Å; R122-L159 HydrophobicContact CB-CB 3.75Å; R122-L159 HydrophobicContact CB-CD1 4.31Å; R122-L159 HydrophobicContact CG-CB 4.05Å; R122-L159 HydrophobicContact CG-CD1 4.09Å; R122-P160 PolarHBondContact N-O 2.87Å; R122-I161 HydrophobicContact CB-CD1 3.67Å; R122-I161 HydrophobicContact CG-CD1 4.33Å; R122-H173 WeakPolarHBondContact O-CB 3.43Å; R122-T193 PolarHBondContact NH1-O 3.01Å; R122-L205 HydrophobicContact CB-CD2 4.09Å; R122-L205 HydrophobicContact CG-CD2 3.87Å; R122-L205 WeakPolarHBondContact O-CD2 3.32Å
123G98.8Very high98.3Very high0 Ų030.8 Ų30.80%015%0.151CC..  trans-93.1167.8166.500000111.8D92 H125 E126 H173 L205D92-G123 VanDerWaalsContact OD1-C 3.23Å; D92-G123 VanDerWaalsContact OD1-CA 3.27Å; D92-G123 WeakPolarHBondContact OD1-CA 3.27Å; G123-H125 PolarHBondContact O-N 3.04Å; G123-E126 VanDerWaalsContact CA-OE2 3.22Å; G123-E126 WeakPolarHBondContact CA-OE2 3.07Å; G123-E126 PolarHBondContact N-OE2 2.9Å; G123-E126 PolarHBondContact O-N 3.36Å; G123-H173 VanDerWaalsContact CA-CG 3.44Å; G123-L205 WeakPolarHBondContact O-CD2 3.29Å
124N98.6Very high98.3Very high0 Ų029.4 Ų29.40%015%0.145CC..THydrogen-bonded Turntrans-67.9-20-176.763.6-62.2000112.2D92 E126 C127 H173 L205 W206 H248D92-N124 PolarHBondContact OD1-N 2.9Å; D92-N124 PolarHBondContact OD1-OD1 3.48Å; D92-N124 PolarHBondContact OD2-OD1 3.13Å; D92-N124 VanDerWaalsContact OD2-OD1 3.13Å; N124-E126 VanDerWaalsContact C-N 3.34Å; N124-C127 PolarHBondContact O-SG 3.34Å; N124-H173 PolarHBondContact OD1-CD2 3.25Å; N124-H173 PolarHBondContact OD1-NE2 3.42Å; N124-L205 HydrophobicContact CB-CB 4.23Å; N124-W206 HydrophobicContact CB-CD2 3.9Å; N124-W206 VanDerWaalsContact CB-CE2 3.46Å; N124-W206 HydrophobicContact CB-CE3 4.44Å; N124-W206 HydrophobicContact CB-CG 4.36Å; N124-W206 HydrophobicContact CB-CH2 4.32Å; N124-W206 HydrophobicContact CB-CZ2 3.71Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.36Å; N124-W206 WeakPolarHBondContact ND2-CZ2 3.4Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.36Å; N124-H248 VanDerWaalsContact CG-CE1 3.48Å; N124-H248 PolarHBondContact OD1-CE1 3.39Å; N124-H248 PolarHBondContact OD1-ND1 3.39Å
125H98.6Very high98.2Very high3 Ų328.2 Ų28.21%0.01415%0.148CC..THydrogen-bonded Turntrans-77.7-15.4172.7-75.9-103.3000113.8H66 D92 V94 D95 G123 C127 I130 N131 Y134H66-H125 AromaticContact CE1-CD2 3.54Å; H66-H125 AromaticContact CE1-CE1 3.83Å; H66-H125 AromaticContact CE1-CG 3.66Å; H66-H125 AromaticContact CE1-ND1 3.84Å; H66-H125 AromaticContact CE1-NE2 3.68Å; D92-H125 WeakPolarHBondContact OD1-CB 3.23Å; D92-H125 IonicContact OD1-CD2 3.94Å; D92-H125 IonicContact OD1-CG 3.46Å; D92-H125 PolarHBondContact OD1-N 3.21Å; D92-H125 IonicContact OD2-CD2 3.01Å; D92-H125 PolarHBondContact OD2-CD2 2.89Å; D92-H125 IonicContact OD2-CG 3.72Å; D92-H125 IonicContact OD2-NE2 3.08Å; V94-H125 HydrophobicContact CG2-CB 4.45Å; D95-H125 VanDerWaalsContact CB-ND1 3.34Å; D95-H125 WeakPolarHBondContact CB-ND1 3.46Å; D95-H125 IonicContact OD2-CE1 3.34Å; D95-H125 IonicContact OD2-CG 3.04Å; D95-H125 IonicContact OD2-ND1 3.48Å; D95-H125 PolarHBondContact OD2-ND1 3.26Å; G123-H125 PolarHBondContact O-N 3.04Å; H125-C127 PolarHBondContact O-N 3.46Å; H125-I130 HydrophobicContact CB-CG2 4.31Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.32Å; H125-N131 WeakPolarHBondContact O-CB 3.33Å; H125-N131 PolarHBondContact O-ND2 2.96Å; H125-Y134 AromaticContact CE1-CD2 3.79Å
126E98.8Very high98.2Very high0 Ų026.3 Ų26.30%014%0.135CC..SBendtrans-8140.6170.4-75.373.7-126.400112.3D92 Y93 R122 G123 N124 F156 L159D92-E126 PolarHBondContact N-OE2 3.04Å; Y93-E126 HydrophobicContact CD2-CG 3.64Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.23Å; Y93-E126 HydrophobicContact CE2-CG 3.98Å; Y93-E126 PolarHBondContact N-OE1 3.15Å; R122-E126 HydrophobicContact CG-CB 3.81Å; R122-E126 PolarHBondContact NE-O 2.73Å; R122-E126 PolarHBondContact NH2-O 3.16Å; G123-E126 VanDerWaalsContact CA-OE2 3.22Å; G123-E126 WeakPolarHBondContact CA-OE2 3.07Å; G123-E126 PolarHBondContact N-OE2 2.9Å; G123-E126 PolarHBondContact O-N 3.36Å; N124-E126 VanDerWaalsContact C-N 3.34Å; E126-F156 HydrophobicContact CB-CB 4.01Å; E126-F156 HydrophobicContact CB-CD1 4.35Å; E126-F156 HydrophobicContact CB-CD2 4.11Å; E126-F156 HydrophobicContact CB-CG 3.92Å; E126-F156 HydrophobicContact CG-CD1 3.96Å; E126-F156 HydrophobicContact CG-CD2 4.16Å; E126-F156 HydrophobicContact CG-CE1 4.14Å; E126-F156 HydrophobicContact CG-CE2 4.32Å; E126-F156 HydrophobicContact CG-CG 3.98Å; E126-F156 HydrophobicContact CG-CZ 4.32Å; E126-F156 WeakPolarHBondContact O-CB 3.4Å; E126-L159 HydrophobicContact CB-CD1 3.94Å; E126-L159 HydrophobicContact CG-CD1 3.81Å
127C97.3Very high98.2Very high0 Ų021.3 Ų21.30%011%0.111CC..SBendtrans-135.6146.5169.279.50000111.8N124 H125 S129 I130 N131 V195N124-C127 PolarHBondContact O-SG 3.34Å; H125-C127 PolarHBondContact O-N 3.46Å; C127-S129 PolarHBondContact O-N 2.99Å; C127-S129 PolarHBondContact SG-OG 3.03Å; C127-S129 VanDerWaalsContact SG-OG 3.38Å; C127-I130 PolarHBondContact O-N 3.34Å; C127-I130 WeakPolarHBondContact SG-CG1 3.43Å; C127-N131 PolarHBondContact O-N 3Å; C127-N131 VanDerWaalsContact O-N 3.09Å; C127-N131 PolarHBondContact O-ND2 3.13Å; C127-N131 PolarHBondContact O-OD1 2.64Å; C127-V195 HydrophobicContact CB-CB 4.07Å; C127-V195 HydrophobicContact CB-CG2 3.73Å
128A97.9Very high98.2Very high21 Ų2122.2 Ų22.217%0.17412%0.116CC..Hα-helixtrans-60.3-36.2-171.600000112.5I130 R132 W149 T153A128-I130 VanDerWaalsContact C-N 3.3Å; A128-I130 PolarHBondContact O-N 3.23Å; A128-R132 WeakPolarHBondContact O-CB 3.43Å; A128-R132 PolarHBondContact O-N 3.06Å; A128-R132 VanDerWaalsContact O-N 3.08Å; A128-W149 HydrophobicContact CB-CH2 3.93Å; A128-W149 HydrophobicContact CB-CZ2 3.82Å; A128-T153 HydrophobicContact CB-CG2 3.83Å
129S96.8Very high98.2Very high35 Ų3522.7 Ų22.725%0.24512%0.118CC..Hα-helixtrans-66.4-30.9-176.967.80000114C127 R319C127-S129 PolarHBondContact O-N 2.99Å; C127-S129 PolarHBondContact SG-OG 3.03Å; C127-S129 VanDerWaalsContact SG-OG 3.38Å; S129-R319 PolarHBondContact OG-NH1 3.1Å; S129-R319 PolarHBondContact OG-NH2 3.27Å
130I97.8Very high98.2Very high3 Ų321.7 Ų21.72%0.01511%0.114CC..Hα-helixtrans-89.5-52.3-177.9-63.7-59.1000109.6H125 C127 A128 R132 I133 Y134 W206H125-I130 HydrophobicContact CB-CG2 4.31Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.32Å; C127-I130 PolarHBondContact O-N 3.34Å; C127-I130 WeakPolarHBondContact SG-CG1 3.43Å; A128-I130 VanDerWaalsContact C-N 3.3Å; A128-I130 PolarHBondContact O-N 3.23Å; I130-R132 PolarHBondContact O-N 3.42Å; I130-R132 VanDerWaalsContact O-N 3.12Å; I130-I133 WeakPolarHBondContact O-CG1 3.47Å; I130-I133 PolarHBondContact O-N 2.92Å; I130-Y134 HydrophobicContact CB-CD2 4.44Å; I130-Y134 HydrophobicContact CD1-CE2 4.33Å; I130-Y134 HydrophobicContact CG2-CD2 3.52Å; I130-Y134 HydrophobicContact CG2-CE2 3.88Å; I130-Y134 VanDerWaalsContact O-CD2 3.24Å; I130-Y134 WeakPolarHBondContact O-CD2 3.47Å; I130-Y134 PolarHBondContact O-N 3.05Å; I130-W206 HydrophobicContact CD1-CH2 3.72Å; I130-W206 HydrophobicContact CD1-CZ2 3.61Å; I130-W206 HydrophobicContact CG1-CH2 4.26Å; I130-W206 HydrophobicContact CG1-CZ2 3.78Å
131N98.3Very high98.2Very high0 Ų027.1 Ų27.10%014%0.137CC..Hα-helixtrans-75.5-4.6-177.373.731.4000114.8V94 D95 H125 C127 I133 F136 Y137 W149V94-N131 HydrophobicContact CG2-CB 4.16Å; D95-N131 WeakPolarHBondContact OD1-CA 3.38Å; D95-N131 WeakPolarHBondContact OD1-CB 3.47Å; D95-N131 WeakPolarHBondContact OD2-CA 3.36Å; D95-N131 WeakPolarHBondContact OD2-CB 3.09Å; H125-N131 WeakPolarHBondContact O-CB 3.33Å; H125-N131 PolarHBondContact O-ND2 2.96Å; C127-N131 PolarHBondContact O-N 3Å; C127-N131 VanDerWaalsContact O-N 3.09Å; C127-N131 PolarHBondContact O-ND2 3.13Å; C127-N131 PolarHBondContact O-OD1 2.64Å; N131-I133 VanDerWaalsContact C-N 3.28Å; N131-F136 HydrophobicContact CB-CB 3.92Å; N131-F136 HydrophobicContact CB-CD1 4.36Å; N131-Y137 WeakPolarHBondContact O-CB 3.33Å; N131-Y137 PolarHBondContact O-N 3.18Å; N131-W149 PolarHBondContact OD1-NE1 3.16Å
132R98.1Very high98.1Very high101 Ų10135.1 Ų35.138%0.38117%0.168SC..THydrogen-bonded Turntrans-66.9-28.8164.9179.260.6-175.684.5-2113.1A128 I130 Y137 W149A128-R132 WeakPolarHBondContact O-CB 3.43Å; A128-R132 PolarHBondContact O-N 3.06Å; A128-R132 VanDerWaalsContact O-N 3.08Å; I130-R132 PolarHBondContact O-N 3.42Å; I130-R132 VanDerWaalsContact O-N 3.12Å; R132-Y137 VanDerWaalsContact CD-CG 3.45Å; R132-W149 HydrophobicContact CB-CZ2 4.13Å
133I97.2Very high98.1Very high104 Ų10437.2 Ų37.253%0.53318%0.175SC..THydrogen-bonded Turntrans-116.6-21.3-170.459168.9000113.8I130 N131I130-I133 WeakPolarHBondContact O-CG1 3.47Å; I130-I133 PolarHBondContact O-N 2.92Å; N131-I133 VanDerWaalsContact C-N 3.28Å
134Y96.9Very high98.1Very high48 Ų4839.5 Ų39.519%0.18819%0.185CC..SBendtrans-1018-176.1-64.2-62.7000115.7D95 R96 H125 I130 P317D95-Y134 WeakPolarHBondContact CB-O 3.48Å; D95-Y134 VanDerWaalsContact OD1-C 3.28Å; R96-Y134 PolarHBondContact N-O 2.86Å; H125-Y134 AromaticContact CE1-CD2 3.79Å; I130-Y134 HydrophobicContact CB-CD2 4.44Å; I130-Y134 HydrophobicContact CD1-CE2 4.33Å; I130-Y134 HydrophobicContact CG2-CD2 3.52Å; I130-Y134 HydrophobicContact CG2-CE2 3.88Å; I130-Y134 VanDerWaalsContact O-CD2 3.24Å; I130-Y134 WeakPolarHBondContact O-CD2 3.47Å; I130-Y134 PolarHBondContact O-N 3.05Å; Y134-P317 HydrophobicContact CE1-CB 4.5Å; Y134-P317 HydrophobicContact CE1-CG 3.63Å; Y134-P317 WeakPolarHBondContact OH-CB 3.28Å; Y134-P317 WeakPolarHBondContact OH-CD 3.39Å; Y134-P317 WeakPolarHBondContact OH-CG 3.49Å
135G97.7Very high98Very high26 Ų2641.9 Ų41.927%0.26820%0.197SC..SBendtrans130.9-28.116100000115.7D95 Y137 D138 E139D95-G135 PolarHBondContact OD1-N 3.25Å; G135-Y137 PolarHBondContact O-N 2.95Å; G135-D138 PolarHBondContact O-N 2.85Å; G135-E139 WeakPolarHBondContact O-CB 3.29Å; G135-E139 PolarHBondContact O-N 2.8Å
136F98.7Very high98Very high0 Ų044.9 Ų44.90%021%0.213CC..Hα-helixtrans-66.2-40.3-173-173.7-129.2000113.1V94 D95 L101 I104 N131 D138 E139 C140 W149 F152 F156V94-F136 HydrophobicContact CB-CB 4.01Å; V94-F136 HydrophobicContact CB-CD1 4.25Å; V94-F136 HydrophobicContact CB-CD2 3.91Å; V94-F136 HydrophobicContact CB-CE2 4.42Å; V94-F136 HydrophobicContact CB-CG 3.8Å; V94-F136 HydrophobicContact CG1-CD1 4.25Å; V94-F136 HydrophobicContact CG1-CD2 3.85Å; V94-F136 HydrophobicContact CG1-CE1 4.25Å; V94-F136 HydrophobicContact CG1-CE2 3.85Å; V94-F136 HydrophobicContact CG1-CG 4.05Å; V94-F136 HydrophobicContact CG1-CZ 4.05Å; V94-F136 HydrophobicContact CG2-CB 4.1Å; V94-F136 HydrophobicContact CG2-CD1 4.12Å; V94-F136 HydrophobicContact CG2-CG 4.04Å; D95-F136 WeakPolarHBondContact OD1-CB 3.39Å; D95-F136 PolarHBondContact OD1-N 2.91Å; L101-F136 HydrophobicContact CD2-CE2 4.01Å; L101-F136 HydrophobicContact CD2-CZ 4.46Å; L101-F136 HydrophobicContact CG-CE2 4.14Å; I104-F136 HydrophobicContact CG2-CE2 4.31Å; I104-F136 HydrophobicContact CG2-CZ 4.25Å; N131-F136 HydrophobicContact CB-CB 3.92Å; N131-F136 HydrophobicContact CB-CD1 4.36Å; F136-D138 VanDerWaalsContact C-N 3.34Å; F136-D138 PolarHBondContact O-N 3.28Å; F136-E139 PolarHBondContact O-N 3.25Å; F136-C140 WeakPolarHBondContact O-CB 3.12Å; F136-C140 PolarHBondContact O-N 2.73Å; F136-C140 PolarHBondContact O-SG 3.06Å; F136-W149 AromaticContact CD1-CD1 3.84Å; F136-F152 HydrophobicContact CE1-CB 3.68Å; F136-F152 HydrophobicContact CE1-CD1 4.36Å; F136-F152 AromaticContact CE1-CD2 3.96Å; F136-F152 HydrophobicContact CE1-CD2 3.96Å; F136-F152 AromaticContact CE1-CG 3.77Å; F136-F152 HydrophobicContact CE1-CG 3.77Å; F136-F152 HydrophobicContact CZ-CB 4.03Å; F136-F152 AromaticContact CZ-CD1 3.93Å; F136-F152 HydrophobicContact CZ-CD1 3.93Å; F136-F152 AromaticContact CZ-CD2 3.51Å; F136-F152 HydrophobicContact CZ-CD2 3.51Å; F136-F152 HydrophobicContact CZ-CE1 4.21Å; F136-F152 AromaticContact CZ-CE2 3.81Å; F136-F152 HydrophobicContact CZ-CE2 3.81Å; F136-F152 AromaticContact CZ-CG 3.56Å; F136-F152 HydrophobicContact CZ-CG 3.56Å; F136-F152 HydrophobicContact CZ-CZ 4.14Å; F136-F156 HydrophobicContact CD1-CE2 4.13Å; F136-F156 AromaticContact CE1-CE2 3.66Å; F136-F156 HydrophobicContact CE1-CE2 3.66Å; F136-F156 AromaticContact CE1-CZ 3.89Å; F136-F156 HydrophobicContact CE1-CZ 3.89Å; F136-F156 HydrophobicContact CZ-CE2 4.48Å; F136-F156 HydrophobicContact CZ-CZ 4.27Å
137Y98.7Very high98Very high22 Ų2250.8 Ų50.89%0.08624%0.238CC..Hα-helixtrans-57.8-46.9173.4172.1-85.5000111.8N131 R132 G135 E139 C140 K141 I146 W149N131-Y137 WeakPolarHBondContact O-CB 3.33Å; N131-Y137 PolarHBondContact O-N 3.18Å; R132-Y137 VanDerWaalsContact CD-CG 3.45Å; G135-Y137 PolarHBondContact O-N 2.95Å; Y137-E139 VanDerWaalsContact C-N 3.34Å; Y137-C140 PolarHBondContact O-N 2.86Å; Y137-K141 HydrophobicContact CE1-CB 4.48Å; Y137-K141 HydrophobicContact CE1-CD 3.94Å; Y137-K141 VanDerWaalsContact O-CB 3.31Å; Y137-K141 WeakPolarHBondContact O-CB 3.4Å; Y137-K141 PolarHBondContact O-N 3.5Å; Y137-I146 HydrophobicContact CE2-CG1 4.21Å; Y137-I146 HydrophobicContact CE2-CG2 4.07Å; Y137-I146 VanDerWaalsContact OH-CD1 3.27Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.41Å; Y137-W149 AromaticContact CD2-CD2 3.52Å; Y137-W149 HydrophobicContact CD2-CD2 3.52Å; Y137-W149 AromaticContact CD2-CE2 3.76Å; Y137-W149 AromaticContact CD2-CE3 3.7Å; Y137-W149 HydrophobicContact CD2-CE3 3.7Å; Y137-W149 AromaticContact CD2-CG 3.91Å; Y137-W149 HydrophobicContact CD2-CG 3.91Å; Y137-W149 HydrophobicContact CD2-CH2 4.29Å; Y137-W149 HydrophobicContact CD2-CZ2 4.14Å; Y137-W149 HydrophobicContact CD2-CZ3 4.08Å; Y137-W149 HydrophobicContact CE2-CD2 4.28Å; Y137-W149 HydrophobicContact CE2-CE3 4Å; Y137-W149 HydrophobicContact CE2-CZ3 4.26Å; Y137-W149 HydrophobicContact CG-CD2 4.47Å
138D98.3Very high98.1Very high81 Ų8150.8 Ų50.843%0.43324%0.238SC..Hα-helixtrans-69.2-35.3-179.3-70.6-39000111.2G135 F136 K141 R142G135-D138 PolarHBondContact O-N 2.85Å; F136-D138 VanDerWaalsContact C-N 3.34Å; F136-D138 PolarHBondContact O-N 3.28Å; D138-K141 PolarHBondContact O-N 3.41Å; D138-R142 WeakPolarHBondContact O-CB 3.45Å; D138-R142 PolarHBondContact O-N 2.86Å
139E98.5Very high98.1Very high10 Ų1051.2 Ų51.25%0.04724%0.236CC..Hα-helixtrans-61.8-48.9172.7-161.4-171.6151.100111.5S100 L101 G135 F136 Y137 R142 R143S100-E139 WeakPolarHBondContact CA-OE2 3.24Å; S100-E139 WeakPolarHBondContact CB-OE2 3.38Å; S100-E139 PolarHBondContact N-OE1 3.41Å; S100-E139 PolarHBondContact N-OE2 2.85Å; S100-E139 PolarHBondContact OG-OE2 3.22Å; L101-E139 WeakPolarHBondContact CB-OE1 3.42Å; L101-E139 HydrophobicContact CD1-CG 3.86Å; L101-E139 WeakPolarHBondContact CD1-OE1 3.49Å; L101-E139 HydrophobicContact CG-CG 4.4Å; L101-E139 PolarHBondContact N-OE1 3.37Å; G135-E139 WeakPolarHBondContact O-CB 3.29Å; G135-E139 PolarHBondContact O-N 2.8Å; F136-E139 PolarHBondContact O-N 3.25Å; Y137-E139 VanDerWaalsContact C-N 3.34Å; E139-R142 PolarHBondContact O-N 2.93Å; E139-R143 WeakPolarHBondContact O-CB 3.33Å; E139-R143 PolarHBondContact O-N 3.19Å; E139-R143 IonicContact OE1-NH1 3.66Å; E139-R143 PolarHBondContact OE1-NH1 3.26Å
140C98.5Very high98.2Very high0 Ų055.4 Ų55.40%025%0.249CC..Hα-helixtrans-59.9-48.4175.7-72.20000111.8F136 Y137 R142 Y144 N145 W149F136-C140 WeakPolarHBondContact O-CB 3.12Å; F136-C140 PolarHBondContact O-N 2.73Å; F136-C140 PolarHBondContact O-SG 3.06Å; Y137-C140 PolarHBondContact O-N 2.86Å; C140-R142 VanDerWaalsContact C-N 3.33Å; C140-R142 PolarHBondContact O-N 3.48Å; C140-Y144 CarbonylContact O-C 3.13Å; C140-Y144 VanDerWaalsContact O-C 3.28Å; C140-Y144 WeakPolarHBondContact O-CA 3.42Å; C140-Y144 PolarHBondContact O-N 3.11Å; C140-N145 PolarHBondContact O-N 3.03Å; C140-N145 VanDerWaalsContact O-N 3.09Å; C140-W149 HydrophobicContact CB-CB 3.76Å
141K98.2Very high98.2Very high114 Ų11456.1 Ų56.150%0.49625%0.254SS..Hα-helixtrans-61.7-40.4179.8-179.4-178.6174.4-172.60111.9Y137 D138 I146Y137-K141 HydrophobicContact CE1-CB 4.48Å; Y137-K141 HydrophobicContact CE1-CD 3.94Å; Y137-K141 VanDerWaalsContact O-CB 3.31Å; Y137-K141 WeakPolarHBondContact O-CB 3.4Å; Y137-K141 PolarHBondContact O-N 3.5Å; D138-K141 PolarHBondContact O-N 3.41Å; K141-I146 HydrophobicContact CB-CG1 4.38Å; K141-I146 HydrophobicContact CD-CD1 4.43Å; K141-I146 HydrophobicContact CD-CG1 4.39Å; K141-I146 HydrophobicContact CG-CG1 4.16Å
142R97.9Very high98.3Very high168 Ų16856.1 Ų56.163%0.63425%0.254SS*.Hα-helixtrans-73.2-39.4-178.1179.8179.257.675.9-0.1112.8D138 E139 C140D138-R142 WeakPolarHBondContact O-CB 3.45Å; D138-R142 PolarHBondContact O-N 2.86Å; E139-R142 PolarHBondContact O-N 2.93Å; C140-R142 VanDerWaalsContact C-N 3.33Å; C140-R142 PolarHBondContact O-N 3.48Å
143R98Very high98.3Very high45 Ų4552 Ų5217%0.1724%0.24CC..Hα-helixtrans-94.7-25.4-174.2-68.9177.758.3178.87113.8V28 L101 E102 E139V28-R143 PolarHBondContact O-NH2 3.2Å; L101-R143 HydrophobicContact CD1-CB 4.12Å; L101-R143 HydrophobicContact CD1-CG 4.49Å; E102-R143 VanDerWaalsContact CD-NH1 3.28Å; E102-R143 IonicContact OE1-CZ 3.57Å; E102-R143 VanDerWaalsContact OE1-CZ 3.31Å; E102-R143 IonicContact OE1-NH1 2.73Å; E102-R143 PolarHBondContact OE1-NH1 3.04Å; E102-R143 VanDerWaalsContact OE1-NH1 3.08Å; E102-R143 IonicContact OE1-NH2 3.75Å; E102-R143 PolarHBondContact OE1-NH2 3.21Å; E102-R143 IonicContact OE2-CZ 3.65Å; E102-R143 IonicContact OE2-NH1 2.76Å; E102-R143 PolarHBondContact OE2-NH1 3.2Å; E102-R143 IonicContact OE2-NH2 3.39Å; E139-R143 WeakPolarHBondContact O-CB 3.33Å; E139-R143 PolarHBondContact O-N 3.19Å; E139-R143 IonicContact OE1-NH1 3.66Å; E139-R143 PolarHBondContact OE1-NH1 3.26Å
144Y98.2Very high98.4Very high49 Ų4951.4 Ų51.419%0.19224%0.238CC..SBendtrans-138-106.8-176.8-62.7-81.9000109.4M30 E32 I35 L101 C140 L148M30-Y144 VanDerWaalsContact O-CE1 3.24Å; M30-Y144 WeakPolarHBondContact O-CE1 3.47Å; M30-Y144 PolarHBondContact O-OH 2.9Å; E32-Y144 HydrophobicContact CB-CD1 4.26Å; I35-Y144 HydrophobicContact CD1-CD1 4.48Å; I35-Y144 HydrophobicContact CD1-CD2 4.25Å; I35-Y144 HydrophobicContact CD1-CE1 3.83Å; I35-Y144 HydrophobicContact CD1-CE2 3.56Å; I35-Y144 WeakPolarHBondContact CD1-OH 3.38Å; L101-Y144 HydrophobicContact CD1-CD2 3.89Å; L101-Y144 HydrophobicContact CD1-CE2 3.83Å; L101-Y144 HydrophobicContact CD2-CD2 4.49Å; L101-Y144 HydrophobicContact CD2-CE2 4.47Å; C140-Y144 CarbonylContact O-C 3.13Å; C140-Y144 VanDerWaalsContact O-C 3.28Å; C140-Y144 WeakPolarHBondContact O-CA 3.42Å; C140-Y144 PolarHBondContact O-N 3.11Å; Y144-L148 VanDerWaalsContact CB-CD2 3.47Å; Y144-L148 HydrophobicContact CD1-CD2 3.99Å; Y144-L148 HydrophobicContact CD2-CD2 3.59Å; Y144-L148 HydrophobicContact CE2-CD2 4.35Å; Y144-L148 HydrophobicContact CG-CD2 3.39Å
145N98.2Very high98.5Very high50 Ų5049.1 Ų49.127%0.26723%0.229SC..  trans-158.7173.1177.96152.7000111.4E32 C140 K147 L148E32-N145 PolarHBondContact OE1-ND2 2.84Å; E32-N145 PolarHBondContact OE2-ND2 2.76Å; C140-N145 PolarHBondContact O-N 3.03Å; C140-N145 VanDerWaalsContact O-N 3.09Å; N145-K147 VanDerWaalsContact C-N 3.28Å; N145-K147 PolarHBondContact O-N 2.98Å; N145-K147 WeakPolarHBondContact OD1-CA 3.45Å; N145-K147 VanDerWaalsContact OD1-CB 3.26Å; N145-K147 WeakPolarHBondContact OD1-CB 3.48Å; N145-K147 PolarHBondContact OD1-N 2.73Å; N145-L148 PolarHBondContact O-N 3.5Å; N145-L148 PolarHBondContact OD1-N 3.04Å
146I98.4Very high98.5Very high66 Ų6648 Ų4834%0.33822%0.216SC..Hα-helixtrans-68.1-27.6179.7-63.7166.7000112Y137 K141 L148 W149 K150Y137-I146 HydrophobicContact CE2-CG1 4.21Å; Y137-I146 HydrophobicContact CE2-CG2 4.07Å; Y137-I146 VanDerWaalsContact OH-CD1 3.27Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.41Å; K141-I146 HydrophobicContact CB-CG1 4.38Å; K141-I146 HydrophobicContact CD-CD1 4.43Å; K141-I146 HydrophobicContact CD-CG1 4.39Å; K141-I146 HydrophobicContact CG-CG1 4.16Å; I146-L148 VanDerWaalsContact C-N 3.31Å; I146-L148 PolarHBondContact O-N 2.89Å; I146-W149 PolarHBondContact O-N 3.09Å; I146-K150 PolarHBondContact O-N 2.8Å; I146-K150 VanDerWaalsContact O-N 3.14Å
147K98.4Very high98.5Very high124 Ų12449 Ų4954%0.53922%0.222SC..Hα-helixtrans-66.1-37.5178.8-175.8-178.6179.1177.70110.9N145 K150 T151N145-K147 VanDerWaalsContact C-N 3.28Å; N145-K147 PolarHBondContact O-N 2.98Å; N145-K147 WeakPolarHBondContact OD1-CA 3.45Å; N145-K147 VanDerWaalsContact OD1-CB 3.26Å; N145-K147 WeakPolarHBondContact OD1-CB 3.48Å; N145-K147 PolarHBondContact OD1-N 2.73Å; K147-K150 WeakPolarHBondContact O-CB 3.42Å; K147-K150 PolarHBondContact O-N 3.32Å; K147-T151 PolarHBondContact O-N 3.1Å; K147-T151 PolarHBondContact O-OG1 2.9Å
148L98.5Very high98.5Very high0 Ų048 Ų480%022%0.218CC..Hα-helixtrans-62.7-43.6174.8-171.163.4000111.9E32 I35 R36 Y144 N145 I146 K150 T151 F152E32-L148 HydrophobicContact CG-CD1 4.23Å; I35-L148 HydrophobicContact CB-CD1 4.1Å; I35-L148 HydrophobicContact CB-CD2 4.42Å; I35-L148 HydrophobicContact CD1-CD2 4.07Å; I35-L148 HydrophobicContact CG2-CD1 3.77Å; I35-L148 HydrophobicContact CG2-CD2 4.12Å; I35-L148 HydrophobicContact CG2-CG 4.29Å; R36-L148 HydrophobicContact CG-CD1 3.54Å; Y144-L148 VanDerWaalsContact CB-CD2 3.47Å; Y144-L148 HydrophobicContact CD1-CD2 3.99Å; Y144-L148 HydrophobicContact CD2-CD2 3.59Å; Y144-L148 HydrophobicContact CE2-CD2 4.35Å; Y144-L148 HydrophobicContact CG-CD2 3.39Å; N145-L148 PolarHBondContact O-N 3.5Å; N145-L148 PolarHBondContact OD1-N 3.04Å; I146-L148 VanDerWaalsContact C-N 3.31Å; I146-L148 PolarHBondContact O-N 2.89Å; L148-K150 VanDerWaalsContact C-N 3.31Å; L148-K150 PolarHBondContact O-N 2.99Å; L148-T151 WeakPolarHBondContact O-CA 3.45Å; L148-T151 WeakPolarHBondContact O-CB 3.41Å; L148-T151 PolarHBondContact O-N 2.75Å; L148-F152 HydrophobicContact CD1-CE2 4.35Å; L148-F152 HydrophobicContact CD2-CE2 4.21Å; L148-F152 HydrophobicContact CG-CD2 4.15Å; L148-F152 HydrophobicContact CG-CE2 3.88Å; L148-F152 WeakPolarHBondContact O-CD2 3.16Å; L148-F152 PolarHBondContact O-N 3.08Å
149W98.8Very high98.5Very high30 Ų3044.2 Ų44.211%0.11420%0.198CC..Hα-helixtrans-58.3-42173.9173.677.1000112.2A128 N131 R132 F136 Y137 C140 I146 T151 F152 T153A128-W149 HydrophobicContact CB-CH2 3.93Å; A128-W149 HydrophobicContact CB-CZ2 3.82Å; N131-W149 PolarHBondContact OD1-NE1 3.16Å; R132-W149 HydrophobicContact CB-CZ2 4.13Å; F136-W149 AromaticContact CD1-CD1 3.84Å; Y137-W149 AromaticContact CD2-CD2 3.52Å; Y137-W149 HydrophobicContact CD2-CD2 3.52Å; Y137-W149 AromaticContact CD2-CE2 3.76Å; Y137-W149 AromaticContact CD2-CE3 3.7Å; Y137-W149 HydrophobicContact CD2-CE3 3.7Å; Y137-W149 AromaticContact CD2-CG 3.91Å; Y137-W149 HydrophobicContact CD2-CG 3.91Å; Y137-W149 HydrophobicContact CD2-CH2 4.29Å; Y137-W149 HydrophobicContact CD2-CZ2 4.14Å; Y137-W149 HydrophobicContact CD2-CZ3 4.08Å; Y137-W149 HydrophobicContact CE2-CD2 4.28Å; Y137-W149 HydrophobicContact CE2-CE3 4Å; Y137-W149 HydrophobicContact CE2-CZ3 4.26Å; Y137-W149 HydrophobicContact CG-CD2 4.47Å; C140-W149 HydrophobicContact CB-CB 3.76Å; I146-W149 PolarHBondContact O-N 3.09Å; W149-T151 VanDerWaalsContact C-N 3.32Å; W149-T151 PolarHBondContact O-N 2.73Å; W149-F152 WeakPolarHBondContact O-CB 3.24Å; W149-F152 PolarHBondContact O-N 3.25Å; W149-T153 PolarHBondContact O-N 2.97Å; W149-T153 PolarHBondContact O-OG1 2.91Å
150K98.6Very high98.6Very high123 Ų12343.9 Ų43.954%0.53520%0.197SC..Hα-helixtrans-61.7-39.3173.8-67.3-177.7177.3-174.50112.3I146 K147 L148 F152 T153 D154I146-K150 PolarHBondContact O-N 2.8Å; I146-K150 VanDerWaalsContact O-N 3.14Å; K147-K150 WeakPolarHBondContact O-CB 3.42Å; K147-K150 PolarHBondContact O-N 3.32Å; L148-K150 VanDerWaalsContact C-N 3.31Å; L148-K150 PolarHBondContact O-N 2.99Å; K150-F152 VanDerWaalsContact C-N 3.33Å; K150-F152 PolarHBondContact O-N 3.03Å; K150-T153 WeakPolarHBondContact O-CB 3.39Å; K150-T153 PolarHBondContact O-N 2.89Å; K150-D154 PolarHBondContact O-N 3.38Å
151T98.7Very high98.6Very high17 Ų1744 Ų4410%0.10420%0.197CC..Hα-helixtrans-62.6-38.3174.3-590000112.2R36 C39 K147 L148 W149 D154 C155R36-T151 HydrophobicContact CG-CG2 4.25Å; C39-T151 HydrophobicContact CB-CG2 3.7Å; K147-T151 PolarHBondContact O-N 3.1Å; K147-T151 PolarHBondContact O-OG1 2.9Å; L148-T151 WeakPolarHBondContact O-CA 3.45Å; L148-T151 WeakPolarHBondContact O-CB 3.41Å; L148-T151 PolarHBondContact O-N 2.75Å; W149-T151 VanDerWaalsContact C-N 3.32Å; W149-T151 PolarHBondContact O-N 2.73Å; T151-D154 PolarHBondContact O-N 2.84Å; T151-C155 PolarHBondContact O-N 3.35Å; T151-C155 VanDerWaalsContact O-N 3.17Å
152F98.8Very high98.6Very high0 Ų038.5 Ų38.50%017%0.173CC..Hα-helixtrans-64.5-44171.4-81-70.6000112.1I35 C39 L101 I104 L108 F136 L148 W149 K150 D154 C155 F156I35-F152 HydrophobicContact CG2-CE1 4.17Å; I35-F152 HydrophobicContact CG2-CE2 3.6Å; I35-F152 HydrophobicContact CG2-CZ 3.25Å; C39-F152 WeakPolarHBondContact SG-CD1 3.37Å; C39-F152 WeakPolarHBondContact SG-CE1 3.38Å; L101-F152 HydrophobicContact CD2-CE2 3.55Å; L101-F152 HydrophobicContact CD2-CZ 3.84Å; I104-F152 HydrophobicContact CG1-CD1 4.48Å; I104-F152 HydrophobicContact CG1-CE1 4.22Å; I104-F152 HydrophobicContact CG2-CD1 4.27Å; I104-F152 HydrophobicContact CG2-CE1 3.52Å; I104-F152 HydrophobicContact CG2-CZ 3.9Å; L108-F152 HydrophobicContact CD1-CE1 4.24Å; F136-F152 HydrophobicContact CE1-CB 3.68Å; F136-F152 HydrophobicContact CE1-CD1 4.36Å; F136-F152 AromaticContact CE1-CD2 3.96Å; F136-F152 HydrophobicContact CE1-CD2 3.96Å; F136-F152 AromaticContact CE1-CG 3.77Å; F136-F152 HydrophobicContact CE1-CG 3.77Å; F136-F152 HydrophobicContact CZ-CB 4.03Å; F136-F152 AromaticContact CZ-CD1 3.93Å; F136-F152 HydrophobicContact CZ-CD1 3.93Å; F136-F152 AromaticContact CZ-CD2 3.51Å; F136-F152 HydrophobicContact CZ-CD2 3.51Å; F136-F152 HydrophobicContact CZ-CE1 4.21Å; F136-F152 AromaticContact CZ-CE2 3.81Å; F136-F152 HydrophobicContact CZ-CE2 3.81Å; F136-F152 AromaticContact CZ-CG 3.56Å; F136-F152 HydrophobicContact CZ-CG 3.56Å; F136-F152 HydrophobicContact CZ-CZ 4.14Å; L148-F152 HydrophobicContact CD1-CE2 4.35Å; L148-F152 HydrophobicContact CD2-CE2 4.21Å; L148-F152 HydrophobicContact CG-CD2 4.15Å; L148-F152 HydrophobicContact CG-CE2 3.88Å; L148-F152 WeakPolarHBondContact O-CD2 3.16Å; L148-F152 PolarHBondContact O-N 3.08Å; W149-F152 WeakPolarHBondContact O-CB 3.24Å; W149-F152 PolarHBondContact O-N 3.25Å; K150-F152 VanDerWaalsContact C-N 3.33Å; K150-F152 PolarHBondContact O-N 3.03Å; F152-D154 VanDerWaalsContact C-N 3.3Å; F152-D154 PolarHBondContact O-N 3.26Å; F152-C155 CarbonylContact O-C 3.29Å; F152-C155 WeakPolarHBondContact O-CA 3.4Å; F152-C155 WeakPolarHBondContact O-CB 3.46Å; F152-C155 PolarHBondContact O-N 3.32Å; F152-F156 HydrophobicContact CB-CE2 4.13Å; F152-F156 HydrophobicContact CB-CZ 4.19Å; F152-F156 HydrophobicContact CD1-CE1 4.29Å; F152-F156 HydrophobicContact CD1-CZ 4.11Å; F152-F156 VanDerWaalsContact O-CG 3.24Å; F152-F156 WeakPolarHBondContact O-CG 3.34Å; F152-F156 PolarHBondContact O-N 3.39Å
153T98.8Very high98.7Very high16 Ų1630.5 Ų30.510%0.09814%0.143CC..Hα-helixtrans-55.8-44.7174.7-62.70000111.7A128 W149 K150 C155 F156 N157A128-T153 HydrophobicContact CB-CG2 3.83Å; W149-T153 PolarHBondContact O-N 2.97Å; W149-T153 PolarHBondContact O-OG1 2.91Å; K150-T153 WeakPolarHBondContact O-CB 3.39Å; K150-T153 PolarHBondContact O-N 2.89Å; T153-C155 VanDerWaalsContact C-N 3.25Å; T153-C155 PolarHBondContact O-N 3.46Å; T153-F156 PolarHBondContact O-N 3.09Å; T153-N157 WeakPolarHBondContact O-CB 3.23Å; T153-N157 PolarHBondContact O-N 3.36Å; T153-N157 PolarHBondContact O-ND2 2.88Å
154D98.7Very high98.7Very high90 Ų9029.2 Ų29.248%0.48114%0.14SC..Hα-helixtrans-62.3-33.1177.2-66.8-28000112.6R43 K150 T151 F152R43-D154 WeakPolarHBondContact CD-O 3.34Å; R43-D154 PolarHBondContact NE-O 3.47Å; K150-D154 PolarHBondContact O-N 3.38Å; T151-D154 PolarHBondContact O-N 2.84Å; F152-D154 VanDerWaalsContact C-N 3.3Å; F152-D154 PolarHBondContact O-N 3.26Å
155C98.8Very high98.7Very high1 Ų126.9 Ų26.91%0.00713%0.13CC..Hα-helixtrans-72.2-47.2173.5-177.30000111.7C39 S42 T151 F152 T153 N157 C158C39-C155 HydrophobicContact CB-CB 4.09Å; S42-C155 PolarHBondContact OG-SG 3.37Å; T151-C155 PolarHBondContact O-N 3.35Å; T151-C155 VanDerWaalsContact O-N 3.17Å; F152-C155 CarbonylContact O-C 3.29Å; F152-C155 WeakPolarHBondContact O-CA 3.4Å; F152-C155 WeakPolarHBondContact O-CB 3.46Å; F152-C155 PolarHBondContact O-N 3.32Å; T153-C155 VanDerWaalsContact C-N 3.25Å; T153-C155 PolarHBondContact O-N 3.46Å; C155-N157 VanDerWaalsContact C-N 3.3Å; C155-N157 PolarHBondContact O-N 3.14Å; C155-C158 WeakPolarHBondContact O-CB 3.47Å; C155-C158 PolarHBondContact O-N 2.76Å
156F98.9Very high98.7Very high1 Ų127.3 Ų27.30%0.00413%0.133CC..Hα-helixtrans-62.7-36-179.4-66.6-17.1000112.8V94 I104 R122 E126 F136 F152 T153 C158 L159V94-F156 HydrophobicContact CG1-CZ 4.01Å; V94-F156 HydrophobicContact CG2-CE2 4.36Å; I104-F156 HydrophobicContact CD1-CE1 3.83Å; I104-F156 HydrophobicContact CD1-CZ 4.37Å; I104-F156 HydrophobicContact CG1-CE1 3.74Å; I104-F156 HydrophobicContact CG1-CZ 3.99Å; R122-F156 PolarHBondContact NE-O 2.9Å; E126-F156 HydrophobicContact CB-CB 4.01Å; E126-F156 HydrophobicContact CB-CD1 4.35Å; E126-F156 HydrophobicContact CB-CD2 4.11Å; E126-F156 HydrophobicContact CB-CG 3.92Å; E126-F156 HydrophobicContact CG-CD1 3.96Å; E126-F156 HydrophobicContact CG-CD2 4.16Å; E126-F156 HydrophobicContact CG-CE1 4.14Å; E126-F156 HydrophobicContact CG-CE2 4.32Å; E126-F156 HydrophobicContact CG-CG 3.98Å; E126-F156 HydrophobicContact CG-CZ 4.32Å; E126-F156 WeakPolarHBondContact O-CB 3.4Å; F136-F156 HydrophobicContact CD1-CE2 4.13Å; F136-F156 AromaticContact CE1-CE2 3.66Å; F136-F156 HydrophobicContact CE1-CE2 3.66Å; F136-F156 AromaticContact CE1-CZ 3.89Å; F136-F156 HydrophobicContact CE1-CZ 3.89Å; F136-F156 HydrophobicContact CZ-CE2 4.48Å; F136-F156 HydrophobicContact CZ-CZ 4.27Å; F152-F156 HydrophobicContact CB-CE2 4.13Å; F152-F156 HydrophobicContact CB-CZ 4.19Å; F152-F156 HydrophobicContact CD1-CE1 4.29Å; F152-F156 HydrophobicContact CD1-CZ 4.11Å; F152-F156 VanDerWaalsContact O-CG 3.24Å; F152-F156 WeakPolarHBondContact O-CG 3.34Å; F152-F156 PolarHBondContact O-N 3.39Å; T153-F156 PolarHBondContact O-N 3.09Å; F156-C158 PolarHBondContact O-N 3.29Å; F156-L159 HydrophobicContact CB-CD1 4.37Å; F156-L159 HydrophobicContact CD1-CD1 4.04Å; F156-L159 PolarHBondContact O-N 2.91Å; F156-L159 VanDerWaalsContact O-N 3.08Å
157N98.8Very high98.7Very high22 Ų2231.8 Ų31.812%0.11815%0.152CC..THydrogen-bonded Turntrans-61-12.9174.2-72.4-12.6000113.6R122 T153 C155 P192 T193R122-N157 PolarHBondContact NH2-OD1 2.99Å; T153-N157 WeakPolarHBondContact O-CB 3.23Å; T153-N157 PolarHBondContact O-N 3.36Å; T153-N157 PolarHBondContact O-ND2 2.88Å; C155-N157 VanDerWaalsContact C-N 3.3Å; C155-N157 PolarHBondContact O-N 3.14Å; N157-P192 HydrophobicContact CB-CB 3.79Å; N157-P192 VanDerWaalsContact O-CA 3.26Å; N157-P192 WeakPolarHBondContact O-CA 3.38Å; N157-T193 WeakPolarHBondContact CA-O 3.35Å; N157-T193 WeakPolarHBondContact CB-O 3.22Å; N157-T193 PolarHBondContact O-N 2.83Å; N157-T193 PolarHBondContact OD1-O 3.25Å
158C98.9Very high98.7Very high0 Ų028.1 Ų28.10%014%0.136CC..THydrogen-bonded Turntrans-104.4-3.9178-65.30000114.2R43 F46 L47 C155 F156 R191R43-C158 HydrophobicContact CG-CB 3.97Å; R43-C158 PolarHBondContact NE-SG 2.85Å; F46-C158 HydrophobicContact CB-CB 4.2Å; F46-C158 WeakPolarHBondContact CB-O 3.33Å; L47-C158 HydrophobicContact CD2-CB 4.13Å; L47-C158 HydrophobicContact CG-CB 4.06Å; C155-C158 WeakPolarHBondContact O-CB 3.47Å; C155-C158 PolarHBondContact O-N 2.76Å; F156-C158 PolarHBondContact O-N 3.29Å; C158-R191 VanDerWaalsContact O-CD 3.3Å; C158-R191 WeakPolarHBondContact O-CD 3.48Å; C158-R191 PolarHBondContact O-NH1 2.92Å
159L98.9Very high98.7Very high2 Ų228.3 Ų28.31%0.0114%0.137CC..  trans-59.9143.8178.8-75.9164000111.6F46 Y93 L120 R122 E126 F156 R191F46-L159 HydrophobicContact CD1-CD2 4.19Å; F46-L159 HydrophobicContact CD2-CD2 4.13Å; F46-L159 HydrophobicContact CE1-CD2 3.67Å; F46-L159 HydrophobicContact CE2-CD2 3.63Å; F46-L159 HydrophobicContact CE2-CG 4.35Å; F46-L159 HydrophobicContact CG-CD2 4.42Å; F46-L159 HydrophobicContact CZ-CD2 3.39Å; Y93-L159 HydrophobicContact CE2-CD1 4.17Å; L120-L159 HydrophobicContact CB-CD2 3.99Å; R122-L159 HydrophobicContact CB-CB 3.75Å; R122-L159 HydrophobicContact CB-CD1 4.31Å; R122-L159 HydrophobicContact CG-CB 4.05Å; R122-L159 HydrophobicContact CG-CD1 4.09Å; E126-L159 HydrophobicContact CB-CD1 3.94Å; E126-L159 HydrophobicContact CG-CD1 3.81Å; F156-L159 HydrophobicContact CB-CD1 4.37Å; F156-L159 HydrophobicContact CD1-CD1 4.04Å; F156-L159 PolarHBondContact O-N 2.91Å; F156-L159 VanDerWaalsContact O-N 3.08Å; L159-R191 WeakPolarHBondContact O-CD 3.42Å
160P98.9Very high98.7Very high3 Ų326.9 Ų26.92%0.01913%0.132CC..  trans-64.6156.3166.729.5-33.1000110.4I51 L53 L120 L121 R122I51-P160 CarbonylContact O-C 3.58Å; I51-P160 WeakPolarHBondContact O-CA 3.33Å; I51-P160 VanDerWaalsContact O-CB 3.29Å; I51-P160 WeakPolarHBondContact O-CB 3.49Å; L53-P160 HydrophobicContact CD1-CB 4.14Å; L53-P160 HydrophobicContact CD1-CG 3.79Å; L53-P160 HydrophobicContact CD2-CB 4.24Å; L53-P160 HydrophobicContact CD2-CG 4.35Å; L53-P160 HydrophobicContact CG-CB 3.89Å; L53-P160 HydrophobicContact CG-CG 4.07Å; L120-P160 VanDerWaalsContact O-CD 3.25Å; L120-P160 WeakPolarHBondContact O-CD 3.4Å; L120-P160 WeakPolarHBondContact O-CG 3.26Å; L121-P160 CarbonylContact C-O 3.28Å; L121-P160 WeakPolarHBondContact CA-O 3.2Å; L121-P160 HydrophobicContact CD2-CB 4.28Å; L121-P160 HydrophobicContact CD2-CG 4.11Å; R122-P160 PolarHBondContact N-O 2.87Å
161I98.8Very high98.7Very high2 Ų221 Ų211%0.0111%0.106CC..  trans-105.6-35.6-171-55.7-55.4000111.6I51 R122 L201 L204 L205I51-I161 HydrophobicContact CD1-CG1 3.67Å; I51-I161 HydrophobicContact CG1-CB 4.34Å; I51-I161 HydrophobicContact CG1-CG1 3.75Å; I51-I161 PolarHBondContact O-N 3.06Å; R122-I161 HydrophobicContact CB-CD1 3.67Å; R122-I161 HydrophobicContact CG-CD1 4.33Å; I161-L201 HydrophobicContact CB-CD1 4.42Å; I161-L201 HydrophobicContact CD1-CD1 3.59Å; I161-L201 HydrophobicContact CG1-CD1 3.68Å; I161-L201 HydrophobicContact CG2-CD1 3.86Å; I161-L204 HydrophobicContact CG2-CB 3.92Å; I161-L204 HydrophobicContact CG2-CD1 3.82Å; I161-L204 HydrophobicContact CG2-CG 4.49Å; I161-L205 HydrophobicContact CD1-CD1 4.41Å; I161-L205 HydrophobicContact CG2-CD1 3.93Å
162V98.8Very high98.7Very high0 Ų020.2 Ų20.20%010%0.101CC..EExtended strand (participates in β ladder)trans-134.4150.7-175171.30000109.5I51 L52 L53 I164 F170 C171 C172 I186 L204I51-V162 PolarHBondContact O-N 3Å; L52-V162 CarbonylContact C-O 3.53Å; L52-V162 WeakPolarHBondContact CA-O 3.15Å; L52-V162 HydrophobicContact CD1-CG1 4.49Å; L52-V162 HydrophobicContact CG-CB 4.39Å; L52-V162 HydrophobicContact CG-CG1 4.17Å; L53-V162 PolarHBondContact N-O 2.78Å; V162-I164 HydrophobicContact CG1-CG1 4.5Å; V162-F170 HydrophobicContact CB-CE2 4.43Å; V162-F170 HydrophobicContact CB-CZ 4.47Å; V162-F170 HydrophobicContact CG1-CD2 3.79Å; V162-F170 HydrophobicContact CG1-CE1 4.44Å; V162-F170 HydrophobicContact CG1-CE2 3.33Å; V162-F170 HydrophobicContact CG1-CZ 3.7Å; V162-F170 HydrophobicContact CG2-CE2 4.24Å; V162-F170 HydrophobicContact CG2-CZ 3.85Å; V162-C171 CarbonylContact C-O 3.6Å; V162-C171 VanDerWaalsContact CA-O 3.24Å; V162-C171 WeakPolarHBondContact CA-O 3.37Å; V162-C171 WeakPolarHBondContact CG1-O 3.42Å; V162-C172 HydrophobicContact CG2-CB 4.06Å; V162-I186 HydrophobicContact CB-CD1 4.47Å; V162-I186 HydrophobicContact CB-CG2 4.39Å; V162-I186 HydrophobicContact CG2-CD1 3.98Å; V162-I186 HydrophobicContact CG2-CG2 4.28Å; V162-L204 HydrophobicContact CG2-CD1 4.28Å; V162-L204 HydrophobicContact CG2-CD2 4.03Å
163A98.9Very high98.7Very high0 Ų020.3 Ų20.30%010%0.102CC..EExtended strand (participates in β ladder)trans-124.2150.4160.800000110.4L53 L55 L88 L121 C171L53-A163 HydrophobicContact CB-CB 3.89Å; L53-A163 CarbonylContact O-C 3.41Å; L53-A163 VanDerWaalsContact O-CA 3.23Å; L53-A163 WeakPolarHBondContact O-CA 3.47Å; L55-A163 HydrophobicContact CD1-CB 3.81Å; L55-A163 HydrophobicContact CG-CB 4.31Å; L88-A163 HydrophobicContact CD1-CB 4.12Å; L88-A163 HydrophobicContact CD2-CB 3.85Å; L121-A163 HydrophobicContact CD1-CB 4.42Å; L121-A163 HydrophobicContact CD2-CB 4.22Å; A163-C171 HydrophobicContact CB-CB 4.17Å; A163-C171 PolarHBondContact N-O 3.05Å; A163-C171 WeakPolarHBondContact O-CA 3.24Å; A163-C171 WeakPolarHBondContact O-CB 3.17Å; A163-C171 PolarHBondContact O-N 3.15Å
164I98.8Very high98.7Very high18 Ų1819.5 Ų19.59%0.09210%0.097CC..EExtended strand (participates in β ladder)trans-120.2125.3166.3-59.7-179.4000107L52 L53 E54 L55 V162 I169 F170 M183 L241L52-I164 HydrophobicContact CD1-CD1 4.32Å; L52-I164 HydrophobicContact CD2-CD1 4.08Å; L52-I164 HydrophobicContact CD2-CG1 4.15Å; L53-I164 PolarHBondContact O-N 3.48Å; E54-I164 WeakPolarHBondContact CA-O 3.21Å; L55-I164 PolarHBondContact N-O 3.49Å; V162-I164 HydrophobicContact CG1-CG1 4.5Å; I164-I169 VanDerWaalsContact CA-O 3.32Å; I164-I169 WeakPolarHBondContact CA-O 3.48Å; I164-F170 HydrophobicContact CD1-CD2 4.42Å; I164-F170 HydrophobicContact CG1-CD2 4.18Å; I164-M183 HydrophobicContact CD1-CE 4.2Å; I164-M183 HydrophobicContact CD1-CG 4.3Å; I164-M183 HydrophobicContact CD1-SD 4.14Å; I164-L241 HydrophobicContact CG2-CD2 4.15Å
165I98.7Very high98.7Very high0 Ų015.2 Ų15.20%07%0.074CC..EExtended strand (participates in β ladder)trans-101.8123.7179.3-58.1160.6000108.5L55 L59 I61 L88 E167 K168 I169 L289L55-I165 HydrophobicContact CB-CG1 4.19Å; L55-I165 CarbonylContact O-C 3.18Å; L55-I165 VanDerWaalsContact O-CA 3.32Å; L55-I165 WeakPolarHBondContact O-CA 3.15Å; L59-I165 HydrophobicContact CD1-CD1 3.91Å; L59-I165 HydrophobicContact CD1-CG1 4.34Å; L59-I165 HydrophobicContact CD2-CD1 3.97Å; L59-I165 HydrophobicContact CD2-CG1 4.12Å; L59-I165 HydrophobicContact CD2-CG2 3.65Å; L59-I165 HydrophobicContact CG-CD1 4.27Å; I61-I165 HydrophobicContact CD1-CD1 3.31Å; I61-I165 HydrophobicContact CG1-CD1 4.16Å; L88-I165 HydrophobicContact CD2-CD1 4.16Å; I165-E167 PolarHBondContact O-N 3Å; I165-K168 PolarHBondContact O-N 3.35Å; I165-I169 HydrophobicContact CB-CB 4.17Å; I165-I169 PolarHBondContact N-O 3.05Å; I165-I169 PolarHBondContact O-N 2.91Å; I165-L289 HydrophobicContact CG2-CD2 4.45Å
166D98.2Very high98.7Very high59 Ų5915.3 Ų15.332%0.3167%0.074SC..THydrogen-bonded Turntrans45.638.9178.6-65.3-69.8000113.3L55 A57 K168 L289L55-D166 PolarHBondContact O-N 3.42Å; A57-D166 WeakPolarHBondContact CB-OD2 3.4Å; A57-D166 PolarHBondContact N-OD2 3.17Å; D166-K168 WeakPolarHBondContact O-CG 2.98Å; D166-K168 PolarHBondContact O-N 2.53Å; D166-L289 HydrophobicContact CB-CD1 4.03Å; D166-L289 HydrophobicContact CB-CD2 3.73Å; D166-L289 HydrophobicContact CB-CG 4.34Å; D166-L289 WeakPolarHBondContact OD2-CD2 3.5Å
167E98Very high98.7Very high160 Ų16015.5 Ų15.575%0.7488%0.076SC*.THydrogen-bonded Turntrans57.510.4-177.8-54.1-176.7171.400115.3I165 L241I165-E167 PolarHBondContact O-N 3Å; E167-L241 WeakPolarHBondContact O-CD2 3.45Å
168K98.5Very high98.7Very high47 Ų4716.6 Ų16.620%0.2048%0.084CC..THydrogen-bonded Turntrans-122.4-28.7-172.9-67.3-54.2178.2-174.60115.3I165 D166 D240 D242 L243 L289I165-K168 PolarHBondContact O-N 3.35Å; D166-K168 WeakPolarHBondContact O-CG 2.98Å; D166-K168 PolarHBondContact O-N 2.53Å; K168-D240 VanDerWaalsContact NZ-CG 3.29Å; K168-D240 PolarHBondContact NZ-O 2.86Å; K168-D240 IonicContact NZ-OD1 3.78Å; K168-D240 IonicContact NZ-OD2 3.51Å; K168-D240 PolarHBondContact NZ-OD2 2.89Å; K168-D242 HydrophobicContact CB-CB 4.42Å; K168-D242 WeakPolarHBondContact CD-OD2 3.44Å; K168-D242 PolarHBondContact O-N 3.14Å; K168-L243 PolarHBondContact O-N 3.2Å; K168-L289 HydrophobicContact CB-CD1 4Å; K168-L289 HydrophobicContact CG-CD1 3.95Å
169I98.8Very high98.7Very high4 Ų420.3 Ų20.32%0.02110%0.104CC..EExtended strand (participates in β ladder)trans-114.5110.6-177.9-47.2176.6000110.4I164 I165 L243 C245 V285 L289I164-I169 VanDerWaalsContact CA-O 3.32Å; I164-I169 WeakPolarHBondContact CA-O 3.48Å; I165-I169 HydrophobicContact CB-CB 4.17Å; I165-I169 PolarHBondContact N-O 3.05Å; I165-I169 PolarHBondContact O-N 2.91Å; I169-L243 CarbonylContact C-O 3.5Å; I169-L243 WeakPolarHBondContact CA-O 3.44Å; I169-L243 HydrophobicContact CD1-CD2 4.44Å; I169-L243 HydrophobicContact CG1-CB 4.32Å; I169-L243 HydrophobicContact CG2-CB 4.16Å; I169-L243 HydrophobicContact CG2-CD2 4.03Å; I169-L243 HydrophobicContact CG2-CG 4.14Å; I169-C245 HydrophobicContact CG2-CB 3.93Å; I169-V285 HydrophobicContact CD1-CG1 3.99Å; I169-V285 HydrophobicContact CD1-CG2 4.09Å; I169-L289 HydrophobicContact CD1-CD2 4.38Å
170F98.8Very high98.6Very high0 Ų020.8 Ų20.80%011%0.107CC..EExtended strand (participates in β ladder)trans-85122.7174.4178.3-87.4000110.7V162 I164 C172 L176 L180 M183 I186 L204 F235 L241 L243 I244 C245V162-F170 HydrophobicContact CB-CE2 4.43Å; V162-F170 HydrophobicContact CB-CZ 4.47Å; V162-F170 HydrophobicContact CG1-CD2 3.79Å; V162-F170 HydrophobicContact CG1-CE1 4.44Å; V162-F170 HydrophobicContact CG1-CE2 3.33Å; V162-F170 HydrophobicContact CG1-CZ 3.7Å; V162-F170 HydrophobicContact CG2-CE2 4.24Å; V162-F170 HydrophobicContact CG2-CZ 3.85Å; I164-F170 HydrophobicContact CD1-CD2 4.42Å; I164-F170 HydrophobicContact CG1-CD2 4.18Å; F170-C172 HydrophobicContact CE1-CB 3.96Å; F170-C172 HydrophobicContact CZ-CB 4.5Å; F170-L176 HydrophobicContact CE1-CD2 4.32Å; F170-L180 HydrophobicContact CE2-CD2 4.5Å; F170-L180 HydrophobicContact CZ-CD2 4.18Å; F170-M183 HydrophobicContact CD2-CE 3.78Å; F170-M183 HydrophobicContact CD2-SD 4.23Å; F170-M183 HydrophobicContact CE2-CE 3.92Å; F170-M183 HydrophobicContact CE2-SD 3.88Å; F170-I186 HydrophobicContact CE2-CD1 4.14Å; F170-I186 HydrophobicContact CZ-CD1 4.36Å; F170-L204 HydrophobicContact CZ-CD2 4.03Å; F170-F235 HydrophobicContact CB-CE1 4.24Å; F170-F235 HydrophobicContact CD1-CE1 4.21Å; F170-F235 HydrophobicContact CD1-CZ 4.34Å; F170-F235 HydrophobicContact CD2-CE1 4.22Å; F170-F235 AromaticContact CD2-CZ 3.92Å; F170-F235 HydrophobicContact CD2-CZ 3.92Å; F170-F235 HydrophobicContact CE1-CZ 4.4Å; F170-F235 AromaticContact CE2-CZ 3.96Å; F170-F235 HydrophobicContact CE2-CZ 3.96Å; F170-F235 AromaticContact CG-CE1 3.98Å; F170-F235 HydrophobicContact CG-CE1 3.98Å; F170-F235 HydrophobicContact CG-CZ 4.11Å; F170-F235 HydrophobicContact CZ-CZ 4.21Å; F170-L241 HydrophobicContact CB-CD1 3.77Å; F170-L241 HydrophobicContact CB-CD2 4.44Å; F170-L241 HydrophobicContact CG-CD1 4.47Å; F170-L243 PolarHBondContact N-O 3.37Å; F170-I244 HydrophobicContact CD1-CG2 4.37Å; F170-I244 CarbonylContact O-C 3.59Å; F170-I244 WeakPolarHBondContact O-CA 3.41Å; F170-C245 PolarHBondContact O-N 3.34Å
171C98.9Very high98.5Very high0 Ų023.4 Ų23.40%013%0.125CC..EExtended strand (participates in β ladder)trans-117.5127.1-175.2-58.80000111.4L88 L90 L121 V162 A163 C245L88-C171 HydrophobicContact CD2-CB 3.8Å; L90-C171 HydrophobicContact CD2-CB 3.89Å; L121-C171 HydrophobicContact CD1-CB 4.28Å; V162-C171 CarbonylContact C-O 3.6Å; V162-C171 VanDerWaalsContact CA-O 3.24Å; V162-C171 WeakPolarHBondContact CA-O 3.37Å; V162-C171 WeakPolarHBondContact CG1-O 3.42Å; A163-C171 HydrophobicContact CB-CB 4.17Å; A163-C171 PolarHBondContact N-O 3.05Å; A163-C171 WeakPolarHBondContact O-CA 3.24Å; A163-C171 WeakPolarHBondContact O-CB 3.17Å; A163-C171 PolarHBondContact O-N 3.15Å; C171-C245 VanDerWaalsContact CA-O 3.25Å; C171-C245 WeakPolarHBondContact CA-O 3.43Å
172C98.9Very high98.4Very high0 Ų026.5 Ų26.50%014%0.144CC..  trans-150172.9172.866.60000109.8V162 F170 G175 C245 R246V162-C172 HydrophobicContact CG2-CB 4.06Å; F170-C172 HydrophobicContact CE1-CB 3.96Å; F170-C172 HydrophobicContact CZ-CB 4.5Å; C172-G175 VanDerWaalsContact SG-CA 3.59Å; C172-C245 PolarHBondContact N-O 2.97Å; C172-R246 VanDerWaalsContact O-CA 3.23Å; C172-R246 WeakPolarHBondContact O-CA 3.25Å
173H98.9Very high98.4Very high1 Ų127.5 Ų27.51%0.00515%0.149CC..SBendtrans-75.9-60.2178.7-176.567.7000112.2D64 L90 D92 R122 G123 N124 L205 A247 H248D64-H173 IonicContact OD1-CE1 2.98Å; D64-H173 PolarHBondContact OD1-CE1 2.77Å; D64-H173 VanDerWaalsContact OD1-CE1 3.3Å; D64-H173 IonicContact OD1-ND1 3.31Å; D64-H173 IonicContact OD2-CE1 3.68Å; L90-H173 WeakPolarHBondContact O-CA 3.43Å; L90-H173 WeakPolarHBondContact O-CB 3.48Å; L90-H173 VanDerWaalsContact O-CG 3.3Å; L90-H173 PolarHBondContact O-ND1 3.41Å; D92-H173 IonicContact OD1-CE1 3.99Å; D92-H173 IonicContact OD1-NE2 3.89Å; D92-H173 PolarHBondContact OD1-NE2 3.25Å; D92-H173 IonicContact OD2-CE1 2.74Å; D92-H173 PolarHBondContact OD2-CE1 3.3Å; D92-H173 IonicContact OD2-NE2 3.3Å; D92-H173 PolarHBondContact OD2-NE2 3.47Å; R122-H173 WeakPolarHBondContact O-CB 3.43Å; G123-H173 VanDerWaalsContact CA-CG 3.44Å; N124-H173 PolarHBondContact OD1-CD2 3.25Å; N124-H173 PolarHBondContact OD1-NE2 3.42Å; H173-L205 PolarHBondContact CD2-O 3.2Å; H173-A247 CarbonylContact O-C 3.55Å; H173-A247 PolarHBondContact O-N 3.5Å; H173-H248 AromaticContact CD2-CG 3.93Å; H173-H248 AromaticContact CD2-ND1 3.54Å; H173-H248 WeakPolarHBondContact NE2-CB 3.42Å; H173-H248 AromaticContact NE2-CG 3.55Å; H173-H248 AromaticContact NE2-ND1 3.01Å; H173-H248 PolarHBondContact NE2-ND1 2.9Å
174G98.8Very high98.3Very high0 Ų031.6 Ų31.60%017%0.168CC..SBendtrans-82.4-83.2-176.500000111.2L204 S207 R246G174-L204 WeakPolarHBondContact CA-O 3.4Å; G174-L204 PolarHBondContact N-O 3.01Å; G174-S207 CarbonylContact C-O 3.48Å; G174-S207 WeakPolarHBondContact CA-O 3.46Å; G174-R246 PolarHBondContact O-NE 2.91Å; G174-R246 PolarHBondContact O-NH2 3.4Å
175G98.7Very high98.3Very high0 Ų034 Ų340%018%0.179CC..  trans177.2-146.1-175.600000113.5C172 S207C172-G175 VanDerWaalsContact SG-CA 3.59Å; G175-S207 WeakPolarHBondContact CA-OG 3.45Å; G175-S207 PolarHBondContact N-OG 3.27Å; G175-S207 VanDerWaalsContact N-OG 3.16Å
176L98.7Very high98.3Very high2 Ų234 Ų341%0.0118%0.179CC..  trans-85.1160.6-175.3-59.9-179.7000112.1F170 S207 W216 F227 I231 V232 F235 I244F170-L176 HydrophobicContact CE1-CD2 4.32Å; L176-S207 PolarHBondContact N-OG 2.78Å; L176-S207 VanDerWaalsContact N-OG 3.15Å; L176-S207 WeakPolarHBondContact O-CB 3.41Å; L176-S207 PolarHBondContact O-OG 3.21Å; L176-W216 HydrophobicContact CB-CH2 3.75Å; L176-W216 HydrophobicContact CB-CZ3 4.45Å; L176-W216 WeakPolarHBondContact O-CZ3 3.25Å; L176-F227 HydrophobicContact CB-CD1 4.35Å; L176-F227 HydrophobicContact CB-CE1 4.36Å; L176-F227 HydrophobicContact CB-CG 4.45Å; L176-F227 HydrophobicContact CB-CZ 4.46Å; L176-F227 HydrophobicContact CD1-CD2 4.27Å; L176-F227 HydrophobicContact CD1-CE2 4.27Å; L176-F227 HydrophobicContact CG-CE2 4.24Å; L176-F227 HydrophobicContact CG-CZ 4.37Å; L176-I231 HydrophobicContact CD1-CG2 3.85Å; L176-V232 HydrophobicContact CD1-CG2 4.48Å; L176-F235 HydrophobicContact CD1-CB 3.81Å; L176-F235 HydrophobicContact CD1-CD1 4.29Å; L176-F235 HydrophobicContact CD1-CD2 4.47Å; L176-F235 HydrophobicContact CD1-CG 3.94Å; L176-F235 HydrophobicContact CD2-CD1 3.75Å; L176-F235 HydrophobicContact CD2-CD2 3.88Å; L176-F235 HydrophobicContact CD2-CE1 3.74Å; L176-F235 HydrophobicContact CD2-CE2 3.89Å; L176-F235 HydrophobicContact CD2-CG 3.8Å; L176-F235 HydrophobicContact CD2-CZ 3.79Å; L176-I244 HydrophobicContact CD1-CD1 3.72Å; L176-I244 HydrophobicContact CD2-CD1 3.83Å; L176-I244 HydrophobicContact CG-CD1 3.95Å
177S98.7Very high98.3Very high5 Ų535.8 Ų35.84%0.03518%0.181CC..  trans-122.3142174.9179.10000111.2D179 L180 D203S177-D179 PolarHBondContact O-N 3.39Å; S177-D179 WeakPolarHBondContact OG-CB 3.49Å; S177-D179 PolarHBondContact OG-N 2.77Å; S177-L180 PolarHBondContact O-N 2.89Å; S177-L180 VanDerWaalsContact O-N 3.1Å; S177-D203 VanDerWaalsContact CB-CB 3.46Å; S177-D203 WeakPolarHBondContact CB-OD2 3.34Å; S177-D203 PolarHBondContact OG-OD2 3.03Å
178P98.2Very high98.3Very high46 Ų4637 Ų3730%0.29918%0.179SC..THydrogen-bonded Turntrans-62-23.3167.426.3-33.8000112.1L180 W216 Y225P178-L180 VanDerWaalsContact C-N 3.33Å; P178-W216 VanDerWaalsContact CA-CZ2 3.43Å; P178-W216 HydrophobicContact CB-CD2 4.03Å; P178-W216 HydrophobicContact CB-CG 4.42Å; P178-W216 HydrophobicContact CB-CZ2 4Å; P178-W216 HydrophobicContact CG-CD2 4.37Å; P178-W216 HydrophobicContact CG-CE3 4.48Å; P178-Y225 HydrophobicContact CG-CD2 3.79Å; P178-Y225 HydrophobicContact CG-CE2 3.58Å
179D97.9Very high98.3Very high78 Ų7836.3 Ų36.342%0.41718%0.177SC..THydrogen-bonded Turntrans-82.7-10177.4-63.6-18.8000112.6S177 S181 Q185 G199 L200S177-D179 PolarHBondContact O-N 3.39Å; S177-D179 WeakPolarHBondContact OG-CB 3.49Å; S177-D179 PolarHBondContact OG-N 2.77Å; D179-S181 PolarHBondContact O-N 3.18Å; D179-Q185 PolarHBondContact O-NE2 2.88Å; D179-Q185 PolarHBondContact O-OE1 2.91Å; D179-G199 WeakPolarHBondContact OD2-CA 3.38Å; D179-L200 HydrophobicContact CB-CB 4.11Å; D179-L200 PolarHBondContact OD2-N 3.04Å
180L98.2Very high98.3Very high12 Ų1243.4 Ų43.46%0.06321%0.212CC..  trans-85.296.8179.7-175.858.1000111.2F170 S177 P178 T182 I186 L200 L204 F235F170-L180 HydrophobicContact CE2-CD2 4.5Å; F170-L180 HydrophobicContact CZ-CD2 4.18Å; S177-L180 PolarHBondContact O-N 2.89Å; S177-L180 VanDerWaalsContact O-N 3.1Å; P178-L180 VanDerWaalsContact C-N 3.33Å; L180-T182 WeakPolarHBondContact CD1-O 3.34Å; L180-I186 HydrophobicContact CD1-CD1 3.73Å; L180-I186 HydrophobicContact CD1-CG1 3.82Å; L180-I186 HydrophobicContact CD2-CD1 4.14Å; L180-L200 HydrophobicContact CB-CD1 3.7Å; L180-L200 HydrophobicContact CD1-CD1 4.09Å; L180-L200 HydrophobicContact CG-CD1 4.37Å; L180-L204 HydrophobicContact CD2-CD2 4.31Å; L180-F235 HydrophobicContact CD2-CE2 3.58Å; L180-F235 HydrophobicContact CD2-CZ 4.05Å; L180-F235 HydrophobicContact CG-CE2 4.13Å
181S96Very high98.3Very high58 Ų5845.3 Ų45.341%0.40622%0.219SC..SBendtrans-102.3-34.8174-72.70000113.6D179 Q185 K238 H239D179-S181 PolarHBondContact O-N 3.18Å; S181-Q185 VanDerWaalsContact CA-OE1 3.31Å; S181-K238 WeakPolarHBondContact O-CE 3.08Å; S181-K238 PolarHBondContact O-NZ 3.05Å; S181-H239 PolarHBondContact O-CE1 3.31Å
182T97.4Very high98.3Very high67 Ų6748.9 Ų48.941%0.41124%0.243SC..  trans-140.8149.1178.9710000110.8L180 E184 Q185L180-T182 WeakPolarHBondContact CD1-O 3.34Å; T182-E184 PolarHBondContact O-N 3.32Å; T182-Q185 WeakPolarHBondContact O-CB 3.27Å; T182-Q185 PolarHBondContact O-N 3.28Å
183M98.1Very high98.3Very high21 Ų2151 Ų5110%0.10326%0.255CS..Hα-helixtrans-62.4-24.7177-61.7-56.8174.700112.6L52 I164 F170 Q185 I186 R187 F235 H239 L241L52-M183 HydrophobicContact CD1-CB 3.91Å; L52-M183 HydrophobicContact CD1-CG 4.41Å; L52-M183 HydrophobicContact CD1-SD 4.21Å; I164-M183 HydrophobicContact CD1-CE 4.2Å; I164-M183 HydrophobicContact CD1-CG 4.3Å; I164-M183 HydrophobicContact CD1-SD 4.14Å; F170-M183 HydrophobicContact CD2-CE 3.78Å; F170-M183 HydrophobicContact CD2-SD 4.23Å; F170-M183 HydrophobicContact CE2-CE 3.92Å; F170-M183 HydrophobicContact CE2-SD 3.88Å; M183-Q185 PolarHBondContact O-N 3.42Å; M183-I186 WeakPolarHBondContact O-CB 3.34Å; M183-I186 PolarHBondContact O-N 3.4Å; M183-I186 HydrophobicContact SD-CD1 4.08Å; M183-R187 PolarHBondContact O-N 3.17Å; M183-R187 VanDerWaalsContact O-N 3.14Å; M183-F235 HydrophobicContact CE-CE1 4.43Å; M183-F235 HydrophobicContact CE-CE2 4.14Å; M183-F235 HydrophobicContact CE-CZ 3.59Å; M183-H239 HydrophobicContact CE-CB 4.16Å; M183-L241 HydrophobicContact CE-CD1 4.07Å
184E98.1Very high98.2Very high85 Ų8554.6 Ų54.640%0.39727%0.274SS..Hα-helixtrans-58.8-29.9173-73.8-56.4109.300113.2T182 I186 R187 R188T182-E184 PolarHBondContact O-N 3.32Å; E184-I186 VanDerWaalsContact C-N 3.26Å; E184-I186 PolarHBondContact O-N 3.14Å; E184-R187 PolarHBondContact O-N 3.37Å; E184-R187 WeakPolarHBondContact OE1-CD 3.5Å; E184-R187 IonicContact OE1-CZ 3.44Å; E184-R187 IonicContact OE1-NE 2.95Å; E184-R187 IonicContact OE1-NH1 3.31Å; E184-R187 PolarHBondContact OE1-NH1 3.36Å; E184-R188 WeakPolarHBondContact O-CB 3.12Å; E184-R188 VanDerWaalsContact O-CG 3.23Å; E184-R188 WeakPolarHBondContact O-CG 3.4Å; E184-R188 PolarHBondContact O-N 2.94Å
185Q98.4Very high98.2Very high68 Ų6854.8 Ų54.832%0.31828%0.276SS..Hα-helixtrans-63.6-36.1175.9-67173.2-85.300111.5D179 S181 T182 M183 L200D179-Q185 PolarHBondContact O-NE2 2.88Å; D179-Q185 PolarHBondContact O-OE1 2.91Å; S181-Q185 VanDerWaalsContact CA-OE1 3.31Å; T182-Q185 WeakPolarHBondContact O-CB 3.27Å; T182-Q185 PolarHBondContact O-N 3.28Å; M183-Q185 PolarHBondContact O-N 3.42Å; Q185-L200 HydrophobicContact CB-CD2 3.71Å
186I98.5Very high98.1Very high0 Ų057.2 Ų57.20%029%0.292CS..Hα-helixtrans-71.1-46.9175.2-57.2167.1000109.6I51 L52 V162 F170 L180 M183 E184 R188 I189 L200 L204I51-I186 WeakPolarHBondContact CG2-O 3.43Å; L52-I186 HydrophobicContact CB-CG2 4.04Å; L52-I186 HydrophobicContact CD1-CB 4.21Å; L52-I186 HydrophobicContact CD1-CD1 4.25Å; L52-I186 HydrophobicContact CD1-CG2 4.32Å; V162-I186 HydrophobicContact CB-CD1 4.47Å; V162-I186 HydrophobicContact CB-CG2 4.39Å; V162-I186 HydrophobicContact CG2-CD1 3.98Å; V162-I186 HydrophobicContact CG2-CG2 4.28Å; F170-I186 HydrophobicContact CE2-CD1 4.14Å; F170-I186 HydrophobicContact CZ-CD1 4.36Å; L180-I186 HydrophobicContact CD1-CD1 3.73Å; L180-I186 HydrophobicContact CD1-CG1 3.82Å; L180-I186 HydrophobicContact CD2-CD1 4.14Å; M183-I186 WeakPolarHBondContact O-CB 3.34Å; M183-I186 PolarHBondContact O-N 3.4Å; M183-I186 HydrophobicContact SD-CD1 4.08Å; E184-I186 VanDerWaalsContact C-N 3.26Å; E184-I186 PolarHBondContact O-N 3.14Å; I186-R188 PolarHBondContact O-N 3.32Å; I186-R188 VanDerWaalsContact O-N 3.15Å; I186-I189 WeakPolarHBondContact O-CB 3.27Å; I186-I189 PolarHBondContact O-N 3.05Å; I186-L200 HydrophobicContact CG1-CD2 4.44Å; I186-L204 HydrophobicContact CD1-CD1 4.32Å; I186-L204 HydrophobicContact CG1-CD1 4.05Å
187R98.4Very high97.9Very high97 Ų9762.7 Ų62.737%0.36632%0.321SS..Hα-helixtrans-59-28-179.5-64-165.7-175.292.40.6113.5L52 E54 M183 E184L52-R187 HydrophobicContact CB-CG 4.13Å; L52-R187 HydrophobicContact CD1-CG 4.35Å; E54-R187 IonicContact OE1-CZ 3.7Å; E54-R187 IonicContact OE1-NE 2.7Å; E54-R187 IonicContact OE1-NH2 3.92Å; E54-R187 PolarHBondContact OE1-NH2 3.46Å; M183-R187 PolarHBondContact O-N 3.17Å; M183-R187 VanDerWaalsContact O-N 3.14Å; E184-R187 PolarHBondContact O-N 3.37Å; E184-R187 WeakPolarHBondContact OE1-CD 3.5Å; E184-R187 IonicContact OE1-CZ 3.44Å; E184-R187 IonicContact OE1-NE 2.95Å; E184-R187 IonicContact OE1-NH1 3.31Å; E184-R187 PolarHBondContact OE1-NH1 3.36Å
188R98.1Very high97.9Very high185 Ų18569.5 Ų69.570%0.69835%0.352SS*.THydrogen-bonded Turntrans-82.4-7.6178.9-71.3172.5-173.3-164.71.3114.8E184 I186 M190E184-R188 WeakPolarHBondContact O-CB 3.12Å; E184-R188 VanDerWaalsContact O-CG 3.23Å; E184-R188 WeakPolarHBondContact O-CG 3.4Å; E184-R188 PolarHBondContact O-N 2.94Å; I186-R188 PolarHBondContact O-N 3.32Å; I186-R188 VanDerWaalsContact O-N 3.15Å; R188-M190 PolarHBondContact O-N 2.9Å
189I98.3Very high97.8Very high34 Ų3468.2 Ų68.217%0.17435%0.347CS..  trans-67.6117.7175.5-63.5170.1000108.5I51 I186 T193 L200 L201I51-I189 HydrophobicContact CD1-CB 3.69Å; I51-I189 HydrophobicContact CD1-CG2 3.57Å; I186-I189 WeakPolarHBondContact O-CB 3.27Å; I186-I189 PolarHBondContact O-N 3.05Å; I189-T193 HydrophobicContact CG2-CG2 4.11Å; I189-L200 HydrophobicContact CD1-CD2 4.32Å; I189-L201 HydrophobicContact CD1-CB 4.4Å
190M98.4Very high97.9Very high152 Ų15265.6 Ų65.675%0.74933%0.333SS*.  trans-79.3140.6-179.9-64.9-60.1-66.300111.2R188 T193R188-M190 PolarHBondContact O-N 2.9Å; M190-T193 WeakPolarHBondContact O-CB 3.43Å; M190-T193 WeakPolarHBondContact O-CG2 3.33Å
191R98.7Very high97.9Very high41 Ų4165.6 Ų65.616%0.15533%0.333CS..SBendtrans-116.3146.4174.2-68.9176.9-65.3161.34.5110.3F46 L47 Q49 I51 C158 L159F46-R191 VanDerWaalsContact O-CZ 3.25Å; F46-R191 PolarHBondContact O-NH1 3.31Å; F46-R191 PolarHBondContact O-NH2 3.24Å; L47-R191 HydrophobicContact CD2-CB 3.72Å; Q49-R191 PolarHBondContact O-NH2 3.37Å; I51-R191 HydrophobicContact CD1-CG 3.76Å; I51-R191 HydrophobicContact CG1-CG 4.38Å; C158-R191 VanDerWaalsContact O-CD 3.3Å; C158-R191 WeakPolarHBondContact O-CD 3.48Å; C158-R191 PolarHBondContact O-NH1 2.92Å; L159-R191 WeakPolarHBondContact O-CD 3.42Å
192P98.6Very high98Very high75 Ų7562.9 Ų62.949%0.48731%0.314SS..SBendcis-71.3143.9-029-34.5000113.2N157N157-P192 HydrophobicContact CB-CB 3.79Å; N157-P192 VanDerWaalsContact O-CA 3.26Å; N157-P192 WeakPolarHBondContact O-CA 3.38Å
193T98.6Very high98.1Very high43 Ų4359.7 Ų59.726%0.26429%0.294SS..  trans-139.6147172.4-1750000111R122 N157 I189 M190 L201R122-T193 PolarHBondContact NH1-O 3.01Å; N157-T193 WeakPolarHBondContact CA-O 3.35Å; N157-T193 WeakPolarHBondContact CB-O 3.22Å; N157-T193 PolarHBondContact O-N 2.83Å; N157-T193 PolarHBondContact OD1-O 3.25Å; I189-T193 HydrophobicContact CG2-CG2 4.11Å; M190-T193 WeakPolarHBondContact O-CB 3.43Å; M190-T193 WeakPolarHBondContact O-CG2 3.33Å; T193-L201 HydrophobicContact CG2-CD2 3.72Å
194D98.1Very high98.1Very high77 Ų7758.7 Ų58.741%0.41229%0.289SS..PPolyproline II helixtrans-77.6166.5164.1-1596.4000110.1
195V98.1Very high98.1Very high4 Ų454.6 Ų54.62%0.02427%0.27CS..PPolyproline II helixtrans-86.2116.7174.8-177.70000108.8C127 L205C127-V195 HydrophobicContact CB-CB 4.07Å; C127-V195 HydrophobicContact CB-CG2 3.73Å; V195-L205 HydrophobicContact CG2-CD2 4.19Å
196P97.6Very high98.1Very high52 Ų5251.5 Ų51.534%0.33826%0.256SS..PPolyproline II helixtrans-65.5166.4177.730-35.5000111.1Q198 L201 C202P196-Q198 VanDerWaalsContact C-N 3.35Å; P196-Q198 WeakPolarHBondContact CG-O 3.27Å; P196-L201 HydrophobicContact CG-CB 4.12Å; P196-C202 HydrophobicContact CG-CB 4.39Å
197D94.4Very high98.2Very high117 Ų11751.5 Ų51.563%0.62626%0.256SS*.SBendtrans-75.4-23.1175.254.1-4.5000113.3C202D197-C202 PolarHBondContact O-SG 2.94Å
198Q96.9Very high98.2Very high148 Ų14847.2 Ų47.269%0.69224%0.24SC*.SBendtrans-146.8167.5178.164.9-178.922.800112.8P196P196-Q198 VanDerWaalsContact C-N 3.35Å; P196-Q198 WeakPolarHBondContact CG-O 3.27Å
199G97.8Very high98.2Very high18 Ų1839.1 Ų39.119%0.18621%0.211CC..SBendtrans89.9-178.2174.800000114D179 L201 C202 D203D179-G199 WeakPolarHBondContact OD2-CA 3.38Å; G199-L201 PolarHBondContact O-N 2.78Å; G199-L201 VanDerWaalsContact O-N 3.08Å; G199-C202 WeakPolarHBondContact O-CA 2.88Å; G199-C202 VanDerWaalsContact O-CB 3.27Å; G199-C202 WeakPolarHBondContact O-CB 3.4Å; G199-C202 PolarHBondContact O-N 2.86Å; G199-D203 PolarHBondContact O-N 2.98Å
200L98.5Very high98.2Very high24 Ų2439.9 Ų39.913%0.12622%0.216CC..Hα-helixtrans-39.3-54.2-171.1179.459.6000115.9D179 L180 Q185 I186 I189 D203 L204D179-L200 HydrophobicContact CB-CB 4.11Å; D179-L200 PolarHBondContact OD2-N 3.04Å; L180-L200 HydrophobicContact CB-CD1 3.7Å; L180-L200 HydrophobicContact CD1-CD1 4.09Å; L180-L200 HydrophobicContact CG-CD1 4.37Å; Q185-L200 HydrophobicContact CB-CD2 3.71Å; I186-L200 HydrophobicContact CG1-CD2 4.44Å; I189-L200 HydrophobicContact CD1-CD2 4.32Å; L200-D203 PolarHBondContact O-N 2.85Å; L200-L204 HydrophobicContact CD1-CD1 3.85Å; L200-L204 HydrophobicContact CD1-CG 4.08Å; L200-L204 HydrophobicContact CG-CD1 4.01Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.46Å; L200-L204 PolarHBondContact O-N 3.21Å
201L98.6Very high98.1Very high12 Ų1240.1 Ų40.16%0.06321%0.213CC..Hα-helixtrans-67.2-38.1-178.7179.560.3000111.6I161 I189 T193 P196 G199 D203 L205I161-L201 HydrophobicContact CB-CD1 4.42Å; I161-L201 HydrophobicContact CD1-CD1 3.59Å; I161-L201 HydrophobicContact CG1-CD1 3.68Å; I161-L201 HydrophobicContact CG2-CD1 3.86Å; I189-L201 HydrophobicContact CD1-CB 4.4Å; T193-L201 HydrophobicContact CG2-CD2 3.72Å; P196-L201 HydrophobicContact CG-CB 4.12Å; G199-L201 PolarHBondContact O-N 2.78Å; G199-L201 VanDerWaalsContact O-N 3.08Å; L201-D203 VanDerWaalsContact C-N 3.33Å; L201-L205 HydrophobicContact CD1-CD1 3.48Å; L201-L205 VanDerWaalsContact CD1-CD1 3.48Å; L201-L205 HydrophobicContact CG-CD1 4.17Å; L201-L205 WeakPolarHBondContact O-CD1 3.43Å
202C98.6Very high98Very high0 Ų044.6 Ų44.60%024%0.239CC..Hα-helixtrans-59.9-49.1174-175.50000109.9P196 D197 G199 L204 L205 W206 V223P196-C202 HydrophobicContact CG-CB 4.39Å; D197-C202 PolarHBondContact O-SG 2.94Å; G199-C202 WeakPolarHBondContact O-CA 2.88Å; G199-C202 VanDerWaalsContact O-CB 3.27Å; G199-C202 WeakPolarHBondContact O-CB 3.4Å; G199-C202 PolarHBondContact O-N 2.86Å; C202-L204 PolarHBondContact O-N 2.68Å; C202-L205 CarbonylContact O-C 3.5Å; C202-L205 PolarHBondContact O-N 3.11Å; C202-W206 WeakPolarHBondContact O-CB 3.38Å; C202-W206 VanDerWaalsContact O-CD1 3.26Å; C202-W206 PolarHBondContact O-N 2.99Å; C202-V223 WeakPolarHBondContact SG-CG2 3.23Å
203D98.7Very high97.9Very high0 Ų042.1 Ų42.10%022%0.223CC..Hα-helixtrans-66-37.9-173.1-59-28.1000114.1S177 G199 L200 L201 L205 W206 S207 S224S177-D203 VanDerWaalsContact CB-CB 3.46Å; S177-D203 WeakPolarHBondContact CB-OD2 3.34Å; S177-D203 PolarHBondContact OG-OD2 3.03Å; G199-D203 PolarHBondContact O-N 2.98Å; L200-D203 PolarHBondContact O-N 2.85Å; L201-D203 VanDerWaalsContact C-N 3.33Å; D203-L205 PolarHBondContact O-N 3.07Å; D203-L205 VanDerWaalsContact O-N 3.13Å; D203-W206 PolarHBondContact O-N 3.12Å; D203-S207 WeakPolarHBondContact O-CB 3.21Å; D203-S207 PolarHBondContact O-N 3.48Å; D203-S207 PolarHBondContact O-OG 3.43Å; D203-S224 VanDerWaalsContact CA-OG 3.23Å; D203-S224 WeakPolarHBondContact CA-OG 3.36Å; D203-S224 WeakPolarHBondContact CB-OG 3.22Å; D203-S224 VanDerWaalsContact CG-OG 3.31Å; D203-S224 WeakPolarHBondContact OD1-CB 3.37Å; D203-S224 PolarHBondContact OD1-OG 2.7Å
204L98.8Very high97.8Very high0 Ų046.1 Ų46.10%025%0.247CC..Hα-helixtrans-60.5-21.3174.8-72.3168.3000113I161 V162 F170 G174 L180 I186 L200 C202I161-L204 HydrophobicContact CG2-CB 3.92Å; I161-L204 HydrophobicContact CG2-CD1 3.82Å; I161-L204 HydrophobicContact CG2-CG 4.49Å; V162-L204 HydrophobicContact CG2-CD1 4.28Å; V162-L204 HydrophobicContact CG2-CD2 4.03Å; F170-L204 HydrophobicContact CZ-CD2 4.03Å; G174-L204 WeakPolarHBondContact CA-O 3.4Å; G174-L204 PolarHBondContact N-O 3.01Å; L180-L204 HydrophobicContact CD2-CD2 4.31Å; I186-L204 HydrophobicContact CD1-CD1 4.32Å; I186-L204 HydrophobicContact CG1-CD1 4.05Å; L200-L204 HydrophobicContact CD1-CD1 3.85Å; L200-L204 HydrophobicContact CD1-CG 4.08Å; L200-L204 HydrophobicContact CG-CD1 4.01Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.46Å; L200-L204 PolarHBondContact O-N 3.21Å; C202-L204 PolarHBondContact O-N 2.68Å
205L98.7Very high97.8Very high0 Ų043.1 Ų43.10%024%0.235CC..Hα-helixtrans-108.7-12.8179.5-70.793.4000113.9R122 G123 N124 I161 H173 V195 L201 C202 D203R122-L205 HydrophobicContact CB-CD2 4.09Å; R122-L205 HydrophobicContact CG-CD2 3.87Å; R122-L205 WeakPolarHBondContact O-CD2 3.32Å; G123-L205 WeakPolarHBondContact O-CD2 3.29Å; N124-L205 HydrophobicContact CB-CB 4.23Å; I161-L205 HydrophobicContact CD1-CD1 4.41Å; I161-L205 HydrophobicContact CG2-CD1 3.93Å; H173-L205 PolarHBondContact CD2-O 3.2Å; V195-L205 HydrophobicContact CG2-CD2 4.19Å; L201-L205 HydrophobicContact CD1-CD1 3.48Å; L201-L205 VanDerWaalsContact CD1-CD1 3.48Å; L201-L205 HydrophobicContact CG-CD1 4.17Å; L201-L205 WeakPolarHBondContact O-CD1 3.43Å; C202-L205 CarbonylContact O-C 3.5Å; C202-L205 PolarHBondContact O-N 3.11Å; D203-L205 PolarHBondContact O-N 3.07Å; D203-L205 VanDerWaalsContact O-N 3.13Å
206W98.7Very high97.8Very high3 Ų347.1 Ų47.11%0.01125%0.25CC..Hα-helixtrans-129.4-18-169.8-76.7100.2000115.9N124 I130 C202 D203 N219 V223 H248 T316N124-W206 HydrophobicContact CB-CD2 3.9Å; N124-W206 VanDerWaalsContact CB-CE2 3.46Å; N124-W206 HydrophobicContact CB-CE3 4.44Å; N124-W206 HydrophobicContact CB-CG 4.36Å; N124-W206 HydrophobicContact CB-CH2 4.32Å; N124-W206 HydrophobicContact CB-CZ2 3.71Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.36Å; N124-W206 WeakPolarHBondContact ND2-CZ2 3.4Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.36Å; I130-W206 HydrophobicContact CD1-CH2 3.72Å; I130-W206 HydrophobicContact CD1-CZ2 3.61Å; I130-W206 HydrophobicContact CG1-CH2 4.26Å; I130-W206 HydrophobicContact CG1-CZ2 3.78Å; C202-W206 WeakPolarHBondContact O-CB 3.38Å; C202-W206 VanDerWaalsContact O-CD1 3.26Å; C202-W206 PolarHBondContact O-N 2.99Å; D203-W206 PolarHBondContact O-N 3.12Å; W206-N219 PolarHBondContact O-ND2 3.38Å; W206-V223 HydrophobicContact CB-CG1 4.23Å; W206-V223 HydrophobicContact CB-CG2 4.34Å; W206-V223 HydrophobicContact CD2-CG1 3.54Å; W206-V223 HydrophobicContact CD2-CG2 4.18Å; W206-V223 HydrophobicContact CE3-CG1 3.23Å; W206-V223 HydrophobicContact CG-CG1 4.01Å; W206-V223 HydrophobicContact CG-CG2 4.04Å; W206-V223 HydrophobicContact CH2-CG1 4.35Å; W206-V223 HydrophobicContact CZ3-CG1 3.68Å; W206-H248 AromaticContact CE3-CE1 3.82Å; W206-H248 AromaticContact CE3-NE2 3.97Å; W206-H248 PolarHBondContact O-NE2 2.92Å; W206-T316 HydrophobicContact CZ3-CG2 4.11Å
207S98.6Very high97.8Very high0 Ų045.5 Ų45.50%024%0.242CC..  trans-71.4152.3-177.560.50000112.1G174 G175 L176 D203 Y225 R246G174-S207 CarbonylContact C-O 3.48Å; G174-S207 WeakPolarHBondContact CA-O 3.46Å; G175-S207 WeakPolarHBondContact CA-OG 3.45Å; G175-S207 PolarHBondContact N-OG 3.27Å; G175-S207 VanDerWaalsContact N-OG 3.16Å; L176-S207 PolarHBondContact N-OG 2.78Å; L176-S207 VanDerWaalsContact N-OG 3.15Å; L176-S207 WeakPolarHBondContact O-CB 3.41Å; L176-S207 PolarHBondContact O-OG 3.21Å; D203-S207 WeakPolarHBondContact O-CB 3.21Å; D203-S207 PolarHBondContact O-N 3.48Å; D203-S207 PolarHBondContact O-OG 3.43Å; S207-Y225 VanDerWaalsContact CA-O 3.23Å; S207-Y225 WeakPolarHBondContact CA-O 3Å; S207-Y225 VanDerWaalsContact CB-O 3.32Å; S207-Y225 WeakPolarHBondContact CB-O 3.15Å; S207-R246 PolarHBondContact O-NH2 2.91Å; S207-R246 VanDerWaalsContact O-NH2 3.12Å
208D98.7Very high97.9Very high6 Ų648.5 Ų48.53%0.03225%0.253CS..EExtended strand (participates in β ladder)trans-128.1142.6-178.8-74.5-52.2000111.8N219 R221 Y225 T226 F227 R246 H248 Q249D208-N219 PolarHBondContact OD2-ND2 2.97Å; D208-R221 IonicContact OD1-CZ 3.71Å; D208-R221 IonicContact OD1-NH2 2.78Å; D208-R221 IonicContact OD2-CZ 3.86Å; D208-R221 VanDerWaalsContact OD2-CZ 3.29Å; D208-R221 IonicContact OD2-NE 3.57Å; D208-R221 PolarHBondContact OD2-NE 3.09Å; D208-R221 IonicContact OD2-NH2 3.56Å; D208-R221 PolarHBondContact OD2-NH2 2.95Å; D208-Y225 PolarHBondContact N-O 3.44Å; D208-T226 HydrophobicContact CB-CG2 4.42Å; D208-T226 CarbonylContact O-C 3.47Å; D208-T226 WeakPolarHBondContact O-CA 3.41Å; D208-F227 VanDerWaalsContact C-CE1 3.45Å; D208-F227 WeakPolarHBondContact O-CD1 3.32Å; D208-F227 WeakPolarHBondContact O-CE1 3.42Å; D208-F227 PolarHBondContact O-N 3.03Å; D208-R246 IonicContact OD1-CZ 3.3Å; D208-R246 IonicContact OD1-NH1 3.29Å; D208-R246 IonicContact OD1-NH2 2.71Å; D208-R246 PolarHBondContact OD1-NH2 3.43Å; D208-H248 IonicContact OD1-CD2 2.68Å; D208-H248 PolarHBondContact OD1-CD2 2.87Å; D208-H248 VanDerWaalsContact OD1-CD2 3.32Å; D208-Q249 VanDerWaalsContact OD1-CG 3.23Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.24Å; D208-Q249 PolarHBondContact OD1-NE2 3.32Å; D208-Q249 PolarHBondContact OD1-OE1 3.47Å
209P98.5Very high97.9Very high15 Ų1542.1 Ų42.110%0.09722%0.223CC..EExtended strand (participates in β ladder)trans-68.9139.7166.629.8-33.8000110.7F227 F258 L263P209-F227 WeakPolarHBondContact CA-O 3.38Å; P209-F227 HydrophobicContact CB-CE2 3.94Å; P209-F227 HydrophobicContact CB-CZ 4.14Å; P209-F258 HydrophobicContact CB-CD1 3.71Å; P209-F258 HydrophobicContact CB-CD2 4.13Å; P209-F258 HydrophobicContact CB-CE1 3.69Å; P209-F258 HydrophobicContact CB-CE2 4.11Å; P209-F258 HydrophobicContact CB-CG 3.92Å; P209-F258 HydrophobicContact CB-CZ 3.88Å; P209-L263 HydrophobicContact CB-CD1 4.39Å; P209-L263 HydrophobicContact CB-CD2 4.44Å; P209-L263 HydrophobicContact CG-CD2 4.06Å
210D98.1Very high97.7Very high51 Ų5148.7 Ų48.727%0.27325%0.254SS..  trans-135.6127173-170.1-22.7000110.1D212 V213 T226 F227D210-D212 VanDerWaalsContact C-N 3.31Å; D210-D212 PolarHBondContact OD1-N 3.22Å; D210-V213 HydrophobicContact CB-CB 4.09Å; D210-V213 HydrophobicContact CB-CG2 3.8Å; D210-T226 HydrophobicContact CB-CG2 4.1Å; D210-F227 PolarHBondContact N-O 2.93Å
211K97Very high97.4Very high157 Ų15748.5 Ų48.568%0.68325%0.252SS*.THydrogen-bonded Turntrans-74.4-23.7-177.365.9-179.5-178.8-177.10112.8F258K211-F258 HydrophobicContact CB-CE2 3.96Å
212D96.8Very high97.2Very high134 Ų13450.7 Ų50.772%0.71728%0.278SS*.THydrogen-bonded Turntrans-93.9-2.7-175-61.7-45.4000111.4D210D210-D212 VanDerWaalsContact C-N 3.31Å; D210-D212 PolarHBondContact OD1-N 3.22Å
213V95.8Very high97Very high24 Ų2451.3 Ų51.315%0.14528%0.281CS..  trans-98138175.5173.20000110.9D210 G228D210-V213 HydrophobicContact CB-CB 4.09Å; D210-V213 HydrophobicContact CB-CG2 3.8Å; V213-G228 WeakPolarHBondContact O-CA 3.49Å
214T97.3Very high97Very high126 Ų12652.3 Ų52.377%0.77329%0.288SS*.SBendtrans-109.5126164-60.30000108.6
215G98.4Very high96.9Very high15 Ų1556.9 Ų56.916%0.15531%0.306CS..SBendtrans78.4-131.6-172.300000112.4F227 G228 D230 I231G215-F227 WeakPolarHBondContact O-CA 3.48Å; G215-G228 PolarHBondContact O-N 3.02Å; G215-D230 PolarHBondContact N-OD1 3.22Å; G215-D230 PolarHBondContact N-OD2 3.39Å; G215-I231 VanDerWaalsContact O-CG1 3.23Å; G215-I231 WeakPolarHBondContact O-CG1 3.44Å
216W98.4Very high96.9Very high88 Ų8857.4 Ų57.433%0.33331%0.309SS..EExtended strand (participates in β ladder)trans-107.7138.9177.8-61.496.9000110.3L176 P178 Y225 T226 F227 I231L176-W216 HydrophobicContact CB-CH2 3.75Å; L176-W216 HydrophobicContact CB-CZ3 4.45Å; L176-W216 WeakPolarHBondContact O-CZ3 3.25Å; P178-W216 VanDerWaalsContact CA-CZ2 3.43Å; P178-W216 HydrophobicContact CB-CD2 4.03Å; P178-W216 HydrophobicContact CB-CG 4.42Å; P178-W216 HydrophobicContact CB-CZ2 4Å; P178-W216 HydrophobicContact CG-CD2 4.37Å; P178-W216 HydrophobicContact CG-CE3 4.48Å; W216-Y225 HydrophobicContact CE3-CG 4.33Å; W216-T226 WeakPolarHBondContact CA-O 3.1Å; W216-F227 HydrophobicContact CD2-CB 4.45Å; W216-F227 HydrophobicContact CE3-CB 3.77Å; W216-F227 HydrophobicContact CH2-CB 4.2Å; W216-F227 HydrophobicContact CZ3-CB 3.64Å; W216-F227 HydrophobicContact CZ3-CD1 4.03Å; W216-F227 HydrophobicContact CZ3-CG 4.16Å; W216-I231 HydrophobicContact CH2-CG2 3.97Å; W216-I231 HydrophobicContact CZ2-CG2 3.66Å
217G97.5Very high96.9Very high17 Ų1757.2 Ų57.218%0.17531%0.309CS..EExtended strand (participates in β ladder)trans-126.5172.5178.600000112.5Y225 T226G217-Y225 WeakPolarHBondContact O-CA 3.29Å; G217-T226 VanDerWaalsContact CA-OG1 3.24Å; G217-T226 WeakPolarHBondContact CA-OG1 3.16Å; G217-T226 PolarHBondContact N-O 3.37Å; G217-T226 PolarHBondContact O-N 3.21Å; G217-T226 PolarHBondContact O-OG1 3.47Å
218E95.8Very high96.9Very high181 Ų18157.2 Ų57.285%0.84631%0.309SS*.EExtended strand (participates in β ladder)trans-68.6147.4169.4-64.9-172.3166.200110T226E218-T226 WeakPolarHBondContact O-CG2 3.41Å; E218-T226 PolarHBondContact O-OG1 3.23Å
219N96.4Very high96.9Very high14 Ų1459.2 Ų59.28%0.07532%0.322CS..  trans-104.2127174.2-167.5-38.6000109.7W206 D208 R221 G222 V223 Y225 T226W206-N219 PolarHBondContact O-ND2 3.38Å; D208-N219 PolarHBondContact OD2-ND2 2.97Å; N219-R221 PolarHBondContact O-N 2.96Å; N219-R221 VanDerWaalsContact OD1-CB 3.29Å; N219-R221 WeakPolarHBondContact OD1-CB 3.16Å; N219-R221 VanDerWaalsContact OD1-CG 3.27Å; N219-R221 WeakPolarHBondContact OD1-CG 3.4Å; N219-R221 PolarHBondContact OD1-N 3.02Å; N219-G222 PolarHBondContact O-N 2.76Å; N219-V223 WeakPolarHBondContact CB-O 3.37Å; N219-Y225 PolarHBondContact ND2-O 2.91Å; N219-T226 HydrophobicContact CB-CG2 4.22Å
220D94Very high96.9Very high155 Ų15560.9 Ų60.983%0.82933%0.33SS*.THydrogen-bonded Turntrans-59.3-18.5178.1-72.9-14.9000113.3G222D220-G222 PolarHBondContact O-N 3.32Å
221R91.8Very high97Very high20 Ų2059 Ų598%0.07532%0.319CS..THydrogen-bonded Turntrans-70.8-1.1169.8-58.6178.8-164-125.9-8.4112.7D208 N219 V223 H248 T316 P318D208-R221 IonicContact OD1-CZ 3.71Å; D208-R221 IonicContact OD1-NH2 2.78Å; D208-R221 IonicContact OD2-CZ 3.86Å; D208-R221 VanDerWaalsContact OD2-CZ 3.29Å; D208-R221 IonicContact OD2-NE 3.57Å; D208-R221 PolarHBondContact OD2-NE 3.09Å; D208-R221 IonicContact OD2-NH2 3.56Å; D208-R221 PolarHBondContact OD2-NH2 2.95Å; N219-R221 PolarHBondContact O-N 2.96Å; N219-R221 VanDerWaalsContact OD1-CB 3.29Å; N219-R221 WeakPolarHBondContact OD1-CB 3.16Å; N219-R221 VanDerWaalsContact OD1-CG 3.27Å; N219-R221 WeakPolarHBondContact OD1-CG 3.4Å; N219-R221 PolarHBondContact OD1-N 3.02Å; R221-V223 HydrophobicContact CB-CG1 3.91Å; R221-V223 PolarHBondContact O-N 3.01Å; R221-H248 VanDerWaalsContact CZ-NE2 3.28Å; R221-H248 PolarHBondContact NH1-CD2 3.08Å; R221-H248 VanDerWaalsContact NH1-CD2 3.29Å; R221-H248 PolarHBondContact NH1-CE1 3.22Å; R221-H248 PolarHBondContact NH1-NE2 2.85Å; R221-H248 PolarHBondContact NH1-O 2.74Å; R221-H248 PolarHBondContact NH2-O 2.78Å; R221-T316 VanDerWaalsContact CZ-CB 3.49Å; R221-T316 PolarHBondContact NH1-OG1 2.92Å; R221-P318 VanDerWaalsContact C-CB 3.47Å; R221-P318 WeakPolarHBondContact O-CA 3.46Å; R221-P318 WeakPolarHBondContact O-CB 2.83Å
222G94.8Very high97.1Very high59 Ų5951.5 Ų51.561%0.60829%0.287SS*.SBendtrans59.121.4179.700000113.8N219 D220N219-G222 PolarHBondContact O-N 2.76Å; D220-G222 PolarHBondContact O-N 3.32Å
223V95.1Very high97.1Very high12 Ų1246.9 Ų46.97%0.07327%0.268CS..SBendtrans-148.8140.4179.361.60000108.4C202 W206 N219 R221C202-V223 WeakPolarHBondContact SG-CG2 3.23Å; W206-V223 HydrophobicContact CB-CG1 4.23Å; W206-V223 HydrophobicContact CB-CG2 4.34Å; W206-V223 HydrophobicContact CD2-CG1 3.54Å; W206-V223 HydrophobicContact CD2-CG2 4.18Å; W206-V223 HydrophobicContact CE3-CG1 3.23Å; W206-V223 HydrophobicContact CG-CG1 4.01Å; W206-V223 HydrophobicContact CG-CG2 4.04Å; W206-V223 HydrophobicContact CH2-CG1 4.35Å; W206-V223 HydrophobicContact CZ3-CG1 3.68Å; N219-V223 WeakPolarHBondContact CB-O 3.37Å; R221-V223 HydrophobicContact CB-CG1 3.91Å; R221-V223 PolarHBondContact O-N 3.01Å
224S97.4Very high97.3Very high22 Ų2253 Ų5315%0.15429%0.288CS..SBendtrans55.9-153.8-175.1-166.30000113.1D203D203-S224 VanDerWaalsContact CA-OG 3.23Å; D203-S224 WeakPolarHBondContact CA-OG 3.36Å; D203-S224 WeakPolarHBondContact CB-OG 3.22Å; D203-S224 VanDerWaalsContact CG-OG 3.31Å; D203-S224 WeakPolarHBondContact OD1-CB 3.37Å; D203-S224 PolarHBondContact OD1-OG 2.7Å
225Y98.1Very high97.3Very high96 Ų9647.8 Ų47.838%0.37626%0.255SS..EExtended strand (participates in β ladder)trans-129.6161.7-169.5-55.9-82.8000111.2P178 S207 D208 W216 G217 N219P178-Y225 HydrophobicContact CG-CD2 3.79Å; P178-Y225 HydrophobicContact CG-CE2 3.58Å; S207-Y225 VanDerWaalsContact CA-O 3.23Å; S207-Y225 WeakPolarHBondContact CA-O 3Å; S207-Y225 VanDerWaalsContact CB-O 3.32Å; S207-Y225 WeakPolarHBondContact CB-O 3.15Å; D208-Y225 PolarHBondContact N-O 3.44Å; W216-Y225 HydrophobicContact CE3-CG 4.33Å; G217-Y225 WeakPolarHBondContact O-CA 3.29Å; N219-Y225 PolarHBondContact ND2-O 2.91Å
226T98.6Very high97.3Very high10 Ų1047.2 Ų47.26%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-95.1155.7157.647.70000109.9D208 D210 W216 G217 E218 N219D208-T226 HydrophobicContact CB-CG2 4.42Å; D208-T226 CarbonylContact O-C 3.47Å; D208-T226 WeakPolarHBondContact O-CA 3.41Å; D210-T226 HydrophobicContact CB-CG2 4.1Å; W216-T226 WeakPolarHBondContact CA-O 3.1Å; G217-T226 VanDerWaalsContact CA-OG1 3.24Å; G217-T226 WeakPolarHBondContact CA-OG1 3.16Å; G217-T226 PolarHBondContact N-O 3.37Å; G217-T226 PolarHBondContact O-N 3.21Å; G217-T226 PolarHBondContact O-OG1 3.47Å; E218-T226 WeakPolarHBondContact O-CG2 3.41Å; E218-T226 PolarHBondContact O-OG1 3.23Å; N219-T226 HydrophobicContact CB-CG2 4.22Å
227F98.8Very high97.3Very high0 Ų050.9 Ų50.90%027%0.269CS..EExtended strand (participates in β ladder)trans-138.1139.5177.156.2-90.2000113.2L176 D208 P209 D210 G215 W216 I231 V232 L263L176-F227 HydrophobicContact CB-CD1 4.35Å; L176-F227 HydrophobicContact CB-CE1 4.36Å; L176-F227 HydrophobicContact CB-CG 4.45Å; L176-F227 HydrophobicContact CB-CZ 4.46Å; L176-F227 HydrophobicContact CD1-CD2 4.27Å; L176-F227 HydrophobicContact CD1-CE2 4.27Å; L176-F227 HydrophobicContact CG-CE2 4.24Å; L176-F227 HydrophobicContact CG-CZ 4.37Å; D208-F227 VanDerWaalsContact C-CE1 3.45Å; D208-F227 WeakPolarHBondContact O-CD1 3.32Å; D208-F227 WeakPolarHBondContact O-CE1 3.42Å; D208-F227 PolarHBondContact O-N 3.03Å; P209-F227 WeakPolarHBondContact CA-O 3.38Å; P209-F227 HydrophobicContact CB-CE2 3.94Å; P209-F227 HydrophobicContact CB-CZ 4.14Å; D210-F227 PolarHBondContact N-O 2.93Å; G215-F227 WeakPolarHBondContact O-CA 3.48Å; W216-F227 HydrophobicContact CD2-CB 4.45Å; W216-F227 HydrophobicContact CE3-CB 3.77Å; W216-F227 HydrophobicContact CH2-CB 4.2Å; W216-F227 HydrophobicContact CZ3-CB 3.64Å; W216-F227 HydrophobicContact CZ3-CD1 4.03Å; W216-F227 HydrophobicContact CZ3-CG 4.16Å; F227-I231 HydrophobicContact CB-CB 4.14Å; F227-I231 HydrophobicContact CB-CG1 4.35Å; F227-I231 HydrophobicContact CB-CG2 4.05Å; F227-V232 HydrophobicContact CD2-CG2 3.89Å; F227-V232 HydrophobicContact CE2-CG2 3.78Å; F227-L263 HydrophobicContact CE2-CD1 3.78Å; F227-L263 HydrophobicContact CZ-CD1 4.08Å
228G98.6Very high97.4Very high0 Ų055.6 Ų55.60%028%0.284CS..  trans-80169.8-176.400000115V213 G215 D230 I231 V232V213-G228 WeakPolarHBondContact O-CA 3.49Å; G215-G228 PolarHBondContact O-N 3.02Å; G228-D230 PolarHBondContact O-N 3.21Å; G228-I231 PolarHBondContact O-N 3.08Å; G228-I231 VanDerWaalsContact O-N 3.13Å; G228-V232 PolarHBondContact O-N 2.77Å
229P98.6Very high97.5Very high47 Ų4749.2 Ų49.231%0.30525%0.254SS..Hα-helixtrans-57.8-28.5173.7-23.133.5000113.8V232 A233 F258 A259P229-V232 PolarHBondContact O-N 3.39Å; P229-A233 PolarHBondContact O-N 3.02Å; P229-F258 HydrophobicContact CB-CE1 4.35Å; P229-F258 HydrophobicContact CB-CZ 4.32Å; P229-F258 HydrophobicContact CG-CE1 4.09Å; P229-F258 HydrophobicContact CG-CE2 4.13Å; P229-F258 HydrophobicContact CG-CZ 3.57Å; P229-A259 HydrophobicContact CB-CB 3.85Å
230D98.5Very high97.6Very high50 Ų5054.1 Ų54.127%0.26728%0.28SS..Hα-helixtrans-69.4-33.9178.470.4-66.4000112.6G215 G228 R234G215-D230 PolarHBondContact N-OD1 3.22Å; G215-D230 PolarHBondContact N-OD2 3.39Å; G228-D230 PolarHBondContact O-N 3.21Å; D230-R234 VanDerWaalsContact O-CB 3.27Å; D230-R234 WeakPolarHBondContact O-CB 3.18Å; D230-R234 PolarHBondContact O-N 2.92Å; D230-R234 IonicContact OD2-NH2 2.86Å; D230-R234 PolarHBondContact OD2-NH2 3.21Å
231I98.7Very high97.8Very high11 Ų1147.2 Ų47.26%0.05624%0.244CC..Hα-helixtrans-68.2-44.2174.4-63-56.5000110.2L176 G215 W216 F227 G228 R234 F235L176-I231 HydrophobicContact CD1-CG2 3.85Å; G215-I231 VanDerWaalsContact O-CG1 3.23Å; G215-I231 WeakPolarHBondContact O-CG1 3.44Å; W216-I231 HydrophobicContact CH2-CG2 3.97Å; W216-I231 HydrophobicContact CZ2-CG2 3.66Å; F227-I231 HydrophobicContact CB-CB 4.14Å; F227-I231 HydrophobicContact CB-CG1 4.35Å; F227-I231 HydrophobicContact CB-CG2 4.05Å; G228-I231 PolarHBondContact O-N 3.08Å; G228-I231 VanDerWaalsContact O-N 3.13Å; I231-R234 PolarHBondContact O-N 3.15Å; I231-F235 WeakPolarHBondContact O-CB 3.34Å; I231-F235 PolarHBondContact O-N 2.9Å
232V98.8Very high98.1Very high0 Ų051 Ų510%027%0.265CS..Hα-helixtrans-56.9-53.4175.1171.80000110.8L176 F227 G228 P229 R234 F235 L236 I244 F258 A259 Q262 L263L176-V232 HydrophobicContact CD1-CG2 4.48Å; F227-V232 HydrophobicContact CD2-CG2 3.89Å; F227-V232 HydrophobicContact CE2-CG2 3.78Å; G228-V232 PolarHBondContact O-N 2.77Å; P229-V232 PolarHBondContact O-N 3.39Å; V232-R234 VanDerWaalsContact C-N 3.32Å; V232-R234 PolarHBondContact O-N 2.76Å; V232-F235 PolarHBondContact O-N 2.68Å; V232-L236 HydrophobicContact CG1-CD1 3.95Å; V232-L236 HydrophobicContact CG1-CG 4.47Å; V232-L236 WeakPolarHBondContact O-CG 3.39Å; V232-L236 PolarHBondContact O-N 3.05Å; V232-I244 HydrophobicContact CG1-CD1 4.07Å; V232-I244 HydrophobicContact CG2-CD1 4.33Å; V232-F258 HydrophobicContact CG2-CD1 4.1Å; V232-F258 HydrophobicContact CG2-CE1 3.87Å; V232-A259 HydrophobicContact CB-CB 4.05Å; V232-A259 HydrophobicContact CG1-CB 3.9Å; V232-A259 HydrophobicContact CG2-CB 4.43Å; V232-Q262 HydrophobicContact CG1-CB 3.74Å; V232-L263 HydrophobicContact CG1-CB 4.24Å; V232-L263 HydrophobicContact CG2-CB 4.5Å; V232-L263 HydrophobicContact CG2-CD1 4.05Å
233A98.7Very high98.3Very high38 Ų3849 Ų4931%0.31424%0.24SC..Hα-helixtrans-60.1-41.8-178.700000112.3P229 H237P229-A233 PolarHBondContact O-N 3.02Å; A233-H237 WeakPolarHBondContact O-CB 3.14Å; A233-H237 PolarHBondContact O-N 3.29Å
234R98.4Very high98.5Very high152 Ų15248.4 Ų48.457%0.57424%0.237SC*.Hα-helixtrans-65.7-43.2178.2-172.4-173-48.8170.711.3112.2D230 I231 V232 K238D230-R234 VanDerWaalsContact O-CB 3.27Å; D230-R234 WeakPolarHBondContact O-CB 3.18Å; D230-R234 PolarHBondContact O-N 2.92Å; D230-R234 IonicContact OD2-NH2 2.86Å; D230-R234 PolarHBondContact OD2-NH2 3.21Å; I231-R234 PolarHBondContact O-N 3.15Å; V232-R234 VanDerWaalsContact C-N 3.32Å; V232-R234 PolarHBondContact O-N 2.76Å; R234-K238 WeakPolarHBondContact O-CB 3.43Å; R234-K238 PolarHBondContact O-N 2.89Å
235F98.7Very high98.6Very high17 Ų1747.3 Ų47.38%0.07523%0.23CC..Hα-helixtrans-62.7-51.1179.3175.7-95.8000111.1F170 L176 L180 M183 I231 V232 H237 K238 H239 L241 I244F170-F235 HydrophobicContact CB-CE1 4.24Å; F170-F235 HydrophobicContact CD1-CE1 4.21Å; F170-F235 HydrophobicContact CD1-CZ 4.34Å; F170-F235 HydrophobicContact CD2-CE1 4.22Å; F170-F235 AromaticContact CD2-CZ 3.92Å; F170-F235 HydrophobicContact CD2-CZ 3.92Å; F170-F235 HydrophobicContact CE1-CZ 4.4Å; F170-F235 AromaticContact CE2-CZ 3.96Å; F170-F235 HydrophobicContact CE2-CZ 3.96Å; F170-F235 AromaticContact CG-CE1 3.98Å; F170-F235 HydrophobicContact CG-CE1 3.98Å; F170-F235 HydrophobicContact CG-CZ 4.11Å; F170-F235 HydrophobicContact CZ-CZ 4.21Å; L176-F235 HydrophobicContact CD1-CB 3.81Å; L176-F235 HydrophobicContact CD1-CD1 4.29Å; L176-F235 HydrophobicContact CD1-CD2 4.47Å; L176-F235 HydrophobicContact CD1-CG 3.94Å; L176-F235 HydrophobicContact CD2-CD1 3.75Å; L176-F235 HydrophobicContact CD2-CD2 3.88Å; L176-F235 HydrophobicContact CD2-CE1 3.74Å; L176-F235 HydrophobicContact CD2-CE2 3.89Å; L176-F235 HydrophobicContact CD2-CG 3.8Å; L176-F235 HydrophobicContact CD2-CZ 3.79Å; L180-F235 HydrophobicContact CD2-CE2 3.58Å; L180-F235 HydrophobicContact CD2-CZ 4.05Å; L180-F235 HydrophobicContact CG-CE2 4.13Å; M183-F235 HydrophobicContact CE-CE1 4.43Å; M183-F235 HydrophobicContact CE-CE2 4.14Å; M183-F235 HydrophobicContact CE-CZ 3.59Å; I231-F235 WeakPolarHBondContact O-CB 3.34Å; I231-F235 PolarHBondContact O-N 2.9Å; V232-F235 PolarHBondContact O-N 2.68Å; F235-H237 PolarHBondContact O-N 2.85Å; F235-K238 PolarHBondContact O-N 3.45Å; F235-H239 AromaticContact CD2-CD2 3.61Å; F235-H239 AromaticContact CE2-CD2 3.52Å; F235-H239 AromaticContact CE2-NE2 3.89Å; F235-H239 PolarHBondContact O-CD2 3.07Å; F235-H239 VanDerWaalsContact O-CD2 3.3Å; F235-H239 PolarHBondContact O-N 3.21Å; F235-H239 VanDerWaalsContact O-N 3.13Å; F235-L241 HydrophobicContact CD1-CD1 4.3Å; F235-L241 HydrophobicContact CE1-CD1 3.6Å; F235-L241 HydrophobicContact CZ-CD1 4.2Å; F235-I244 HydrophobicContact CD1-CD1 3.91Å; F235-I244 HydrophobicContact CD1-CG1 4.29Å; F235-I244 HydrophobicContact CE1-CD1 4.34Å; F235-I244 HydrophobicContact CE1-CG1 4.37Å
236L98.7Very high98.6Very high3 Ų342.8 Ų42.82%0.01621%0.212CC..Hα-helixtrans-58.7-48.3179.2-72178.3000111.6V232 K238 H239 D240 L241 I244 Q262V232-L236 HydrophobicContact CG1-CD1 3.95Å; V232-L236 HydrophobicContact CG1-CG 4.47Å; V232-L236 WeakPolarHBondContact O-CG 3.39Å; V232-L236 PolarHBondContact O-N 3.05Å; L236-K238 PolarHBondContact O-N 3.48Å; L236-H239 CarbonylContact O-C 3.6Å; L236-H239 PolarHBondContact O-N 2.97Å; L236-D240 PolarHBondContact O-N 3.45Å; L236-L241 WeakPolarHBondContact CB-O 3.37Å; L236-L241 HydrophobicContact CD2-CB 3.41Å; L236-L241 VanDerWaalsContact CD2-CB 3.41Å; L236-L241 HydrophobicContact CD2-CD1 4.37Å; L236-L241 PolarHBondContact O-N 2.96Å; L236-I244 HydrophobicContact CD2-CG1 3.91Å; L236-I244 HydrophobicContact CG-CG1 4.44Å; L236-Q262 HydrophobicContact CD1-CB 3.53Å; L236-Q262 HydrophobicContact CD1-CG 3.98Å
237H98.4Very high98.6Very high164 Ų16442.3 Ų42.376%0.75921%0.209SC*.Hα-helixtrans-60.9-44177.8-179.662.3000112.8A233 F235 H239 D240A233-H237 WeakPolarHBondContact O-CB 3.14Å; A233-H237 PolarHBondContact O-N 3.29Å; F235-H237 PolarHBondContact O-N 2.85Å; H237-H239 PolarHBondContact O-N 3.4Å; H237-D240 PolarHBondContact O-N 3.16Å
238K98.3Very high98.6Very high117 Ų11742.5 Ų42.551%0.50921%0.21SC..Hα-helixtrans-62.9-31.8-179.3177.2178.8172.5-173.30112.8S181 R234 F235 L236S181-K238 WeakPolarHBondContact O-CE 3.08Å; S181-K238 PolarHBondContact O-NZ 3.05Å; R234-K238 WeakPolarHBondContact O-CB 3.43Å; R234-K238 PolarHBondContact O-N 2.89Å; F235-K238 PolarHBondContact O-N 3.45Å; L236-K238 PolarHBondContact O-N 3.48Å
239H98.2Very high98.6Very high46 Ų4645 Ų4521%0.21322%0.221CC..Hα-helixtrans-108.48.1-174.3-67.2-65000113.8S181 M183 F235 L236 H237 L241S181-H239 PolarHBondContact O-CE1 3.31Å; M183-H239 HydrophobicContact CE-CB 4.16Å; F235-H239 AromaticContact CD2-CD2 3.61Å; F235-H239 AromaticContact CE2-CD2 3.52Å; F235-H239 AromaticContact CE2-NE2 3.89Å; F235-H239 PolarHBondContact O-CD2 3.07Å; F235-H239 VanDerWaalsContact O-CD2 3.3Å; F235-H239 PolarHBondContact O-N 3.21Å; F235-H239 VanDerWaalsContact O-N 3.13Å; L236-H239 CarbonylContact O-C 3.6Å; L236-H239 PolarHBondContact O-N 2.97Å; H237-H239 PolarHBondContact O-N 3.4Å; H239-L241 HydrophobicContact CB-CD1 3.77Å; H239-L241 HydrophobicContact CB-CG 4.04Å; H239-L241 PolarHBondContact O-N 3.05Å
240D98.2Very high98.5Very high117 Ų11744.9 Ų44.963%0.62622%0.22SC*.THydrogen-bonded Turntrans52.439.4-176.4-165.844.1000114.2K168 L236 H237K168-D240 VanDerWaalsContact NZ-CG 3.29Å; K168-D240 PolarHBondContact NZ-O 2.86Å; K168-D240 IonicContact NZ-OD1 3.78Å; K168-D240 IonicContact NZ-OD2 3.51Å; K168-D240 PolarHBondContact NZ-OD2 2.89Å; L236-D240 PolarHBondContact O-N 3.45Å; H237-D240 PolarHBondContact O-N 3.16Å
241L98.6Very high98.4Very high11 Ų1142.9 Ų42.96%0.05821%0.21CC..  trans-100.8157177.6-65.8164.2000110.8I164 E167 F170 M183 F235 L236 H239I164-L241 HydrophobicContact CG2-CD2 4.15Å; E167-L241 WeakPolarHBondContact O-CD2 3.45Å; F170-L241 HydrophobicContact CB-CD1 3.77Å; F170-L241 HydrophobicContact CB-CD2 4.44Å; F170-L241 HydrophobicContact CG-CD1 4.47Å; M183-L241 HydrophobicContact CE-CD1 4.07Å; F235-L241 HydrophobicContact CD1-CD1 4.3Å; F235-L241 HydrophobicContact CE1-CD1 3.6Å; F235-L241 HydrophobicContact CZ-CD1 4.2Å; L236-L241 WeakPolarHBondContact CB-O 3.37Å; L236-L241 HydrophobicContact CD2-CB 3.41Å; L236-L241 VanDerWaalsContact CD2-CB 3.41Å; L236-L241 HydrophobicContact CD2-CD1 4.37Å; L236-L241 PolarHBondContact O-N 2.96Å; H239-L241 HydrophobicContact CB-CD1 3.77Å; H239-L241 HydrophobicContact CB-CG 4.04Å; H239-L241 PolarHBondContact O-N 3.05Å
242D98.4Very high98.3Very high99 Ų9949.1 Ų49.153%0.52924%0.238SC..SBendtrans-105.8-31.2179.9-66.4-25.4000113K168K168-D242 HydrophobicContact CB-CB 4.42Å; K168-D242 WeakPolarHBondContact CD-OD2 3.44Å; K168-D242 PolarHBondContact O-N 3.14Å
243L98.8Very high98.2Very high16 Ų1653.1 Ų53.18%0.08426%0.26CS..EExtended strand (participates in β ladder)trans-145.4140.8-171.9-179.464.9000112.3K168 I169 F170 R261 Q262 V264 M283K168-L243 PolarHBondContact O-N 3.2Å; I169-L243 CarbonylContact C-O 3.5Å; I169-L243 WeakPolarHBondContact CA-O 3.44Å; I169-L243 HydrophobicContact CD1-CD2 4.44Å; I169-L243 HydrophobicContact CG1-CB 4.32Å; I169-L243 HydrophobicContact CG2-CB 4.16Å; I169-L243 HydrophobicContact CG2-CD2 4.03Å; I169-L243 HydrophobicContact CG2-CG 4.14Å; F170-L243 PolarHBondContact N-O 3.37Å; L243-R261 WeakPolarHBondContact CD1-O 3.47Å; L243-Q262 WeakPolarHBondContact CA-O 3.06Å; L243-V264 HydrophobicContact CD1-CB 4.43Å; L243-V264 HydrophobicContact CD1-CG1 4.13Å; L243-V264 HydrophobicContact CD2-CG1 4.16Å; L243-V264 HydrophobicContact CG-CG1 4.4Å; L243-M283 HydrophobicContact CD2-CE 4.18Å; L243-M283 HydrophobicContact CD2-SD 4.35Å
244I98.9Very high98.1Very high0 Ų051.3 Ų51.30%025%0.245CC..EExtended strand (participates in β ladder)trans-99.5125.9160.5-62.9168.6000108.5F170 L176 V232 F235 L236 R246 Q262 L263 V264F170-I244 HydrophobicContact CD1-CG2 4.37Å; F170-I244 CarbonylContact O-C 3.59Å; F170-I244 WeakPolarHBondContact O-CA 3.41Å; L176-I244 HydrophobicContact CD1-CD1 3.72Å; L176-I244 HydrophobicContact CD2-CD1 3.83Å; L176-I244 HydrophobicContact CG-CD1 3.95Å; V232-I244 HydrophobicContact CG1-CD1 4.07Å; V232-I244 HydrophobicContact CG2-CD1 4.33Å; F235-I244 HydrophobicContact CD1-CD1 3.91Å; F235-I244 HydrophobicContact CD1-CG1 4.29Å; F235-I244 HydrophobicContact CE1-CD1 4.34Å; F235-I244 HydrophobicContact CE1-CG1 4.37Å; L236-I244 HydrophobicContact CD2-CG1 3.91Å; L236-I244 HydrophobicContact CG-CG1 4.44Å; I244-R246 HydrophobicContact CG2-CG 4.46Å; I244-Q262 PolarHBondContact N-O 2.96Å; I244-L263 HydrophobicContact CB-CB 4.12Å; I244-L263 HydrophobicContact CB-CD1 3.98Å; I244-L263 HydrophobicContact CB-CG 3.93Å; I244-L263 HydrophobicContact CD1-CD1 4.25Å; I244-L263 HydrophobicContact CG2-CD1 3.73Å; I244-L263 HydrophobicContact CG2-CG 3.94Å; I244-L263 CarbonylContact O-C 3.55Å; I244-L263 VanDerWaalsContact O-CA 3.25Å; I244-L263 WeakPolarHBondContact O-CA 3.26Å; I244-V264 PolarHBondContact O-N 3.26Å
245C98.9Very high98.1Very high0 Ų047.2 Ų47.20%023%0.23CC..EExtended strand (participates in β ladder)trans-111.4121.3171.9-174.50000109.5I169 F170 C171 C172 V264 L266 M283I169-C245 HydrophobicContact CG2-CB 3.93Å; F170-C245 PolarHBondContact O-N 3.34Å; C171-C245 VanDerWaalsContact CA-O 3.25Å; C171-C245 WeakPolarHBondContact CA-O 3.43Å; C172-C245 PolarHBondContact N-O 2.97Å; C245-V264 HydrophobicContact CB-CG1 4.05Å; C245-L266 VanDerWaalsContact SG-CD1 3.53Å; C245-M283 HydrophobicContact CB-CE 4.12Å
246R98.9Very high98.1Very high0 Ų051.6 Ų51.60%025%0.251CS..EExtended strand (participates in β ladder)trans-140.1175.3-176.863.975.157.2152.118.4112.9C172 G174 S207 D208 I244 L263 V264 T265 L266C172-R246 VanDerWaalsContact O-CA 3.23Å; C172-R246 WeakPolarHBondContact O-CA 3.25Å; G174-R246 PolarHBondContact O-NE 2.91Å; G174-R246 PolarHBondContact O-NH2 3.4Å; S207-R246 PolarHBondContact O-NH2 2.91Å; S207-R246 VanDerWaalsContact O-NH2 3.12Å; D208-R246 IonicContact OD1-CZ 3.3Å; D208-R246 IonicContact OD1-NH1 3.29Å; D208-R246 IonicContact OD1-NH2 2.71Å; D208-R246 PolarHBondContact OD1-NH2 3.43Å; I244-R246 HydrophobicContact CG2-CG 4.46Å; R246-L263 HydrophobicContact CG-CD1 4.28Å; R246-L263 HydrophobicContact CG-CD2 3.98Å; R246-L263 HydrophobicContact CG-CG 4.23Å; R246-V264 PolarHBondContact N-O 2.93Å; R246-T265 WeakPolarHBondContact CD-OG1 3.43Å; R246-T265 PolarHBondContact NH1-OG1 3.25Å; R246-T265 CarbonylContact O-C 3.06Å; R246-T265 WeakPolarHBondContact O-CA 3.3Å; R246-L266 PolarHBondContact O-N 3.33Å
247A98.8Very high98.1Very high0 Ų054.4 Ų54.40%026%0.263CS..  trans-127.8-124.9-174.800000113.5D64 L90 H173 Q249 T265 L266D64-A247 WeakPolarHBondContact OD1-CB 3.18Å; L90-A247 HydrophobicContact CB-CB 3.74Å; L90-A247 HydrophobicContact CD1-CB 3.95Å; H173-A247 CarbonylContact O-C 3.55Å; H173-A247 PolarHBondContact O-N 3.5Å; A247-Q249 PolarHBondContact O-N 3.01Å; A247-T265 WeakPolarHBondContact O-CG2 3.5Å; A247-L266 WeakPolarHBondContact CA-O 3.27Å; A247-L266 WeakPolarHBondContact CB-O 3.44Å
248H98.5Very high98.1Very high4 Ų448 Ų482%0.01923%0.232CC..SBendtrans65.9-19160.8-167.765.8000119.5D64 N124 H173 W206 D208 R221D64-H248 PolarHBondContact OD1-N 2.86Å; N124-H248 VanDerWaalsContact CG-CE1 3.48Å; N124-H248 PolarHBondContact OD1-CE1 3.39Å; N124-H248 PolarHBondContact OD1-ND1 3.39Å; H173-H248 AromaticContact CD2-CG 3.93Å; H173-H248 AromaticContact CD2-ND1 3.54Å; H173-H248 WeakPolarHBondContact NE2-CB 3.42Å; H173-H248 AromaticContact NE2-CG 3.55Å; H173-H248 AromaticContact NE2-ND1 3.01Å; H173-H248 PolarHBondContact NE2-ND1 2.9Å; W206-H248 AromaticContact CE3-CE1 3.82Å; W206-H248 AromaticContact CE3-NE2 3.97Å; W206-H248 PolarHBondContact O-NE2 2.92Å; D208-H248 IonicContact OD1-CD2 2.68Å; D208-H248 PolarHBondContact OD1-CD2 2.87Å; D208-H248 VanDerWaalsContact OD1-CD2 3.32Å; R221-H248 VanDerWaalsContact CZ-NE2 3.28Å; R221-H248 PolarHBondContact NH1-CD2 3.08Å; R221-H248 VanDerWaalsContact NH1-CD2 3.29Å; R221-H248 PolarHBondContact NH1-CE1 3.22Å; R221-H248 PolarHBondContact NH1-NE2 2.85Å; R221-H248 PolarHBondContact NH1-O 2.74Å; R221-H248 PolarHBondContact NH2-O 2.78Å
249Q98Very high98.1Very high52 Ų5243 Ų4324%0.24321%0.213CC..SBendtrans-120.3129.6175.1-78.4173.5-50.600110.2D208 A247 V251 T265 F267D208-Q249 VanDerWaalsContact OD1-CG 3.23Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.24Å; D208-Q249 PolarHBondContact OD1-NE2 3.32Å; D208-Q249 PolarHBondContact OD1-OE1 3.47Å; A247-Q249 PolarHBondContact O-N 3.01Å; Q249-V251 PolarHBondContact O-N 3.28Å; Q249-T265 HydrophobicContact CB-CG2 4.16Å; Q249-F267 WeakPolarHBondContact O-CD2 3.48Å
250V97.1Very high98.1Very high45 Ų4550.6 Ų50.627%0.27325%0.246SC..  trans-65125.1169.6-175.40000108.4F267 Y272 F276 N278V250-F267 HydrophobicContact CB-CE2 4.48Å; V250-F267 HydrophobicContact CG1-CE1 4.5Å; V250-F267 HydrophobicContact CG2-CD2 4.29Å; V250-F267 HydrophobicContact CG2-CE1 4.02Å; V250-F267 HydrophobicContact CG2-CE2 3.73Å; V250-F267 HydrophobicContact CG2-CZ 3.6Å; V250-Y272 HydrophobicContact CG2-CD1 3.49Å; V250-Y272 VanDerWaalsContact CG2-CD1 3.49Å; V250-Y272 HydrophobicContact CG2-CE1 3.97Å; V250-Y272 HydrophobicContact CG2-CG 4.14Å; V250-F276 HydrophobicContact CB-CD1 4.47Å; V250-F276 HydrophobicContact CB-CE1 4.49Å; V250-F276 HydrophobicContact CG1-CB 4.33Å; V250-F276 HydrophobicContact CG1-CD1 3.9Å; V250-F276 HydrophobicContact CG1-CE1 4.4Å; V250-F276 HydrophobicContact CG1-CG 4.09Å; V250-N278 HydrophobicContact CG1-CB 3.79Å
251V97.1Very high98.1Very high9 Ų952.9 Ų52.96%0.05525%0.246CC..  trans-125.6142.9177.3-67.90000109.6Q249 D253 G254 E256 T265 F267 N278Q249-V251 PolarHBondContact O-N 3.28Å; V251-D253 PolarHBondContact O-N 2.84Å; V251-G254 VanDerWaalsContact CG2-C 3.45Å; V251-G254 PolarHBondContact O-N 2.8Å; V251-G254 VanDerWaalsContact O-N 3.07Å; V251-E256 HydrophobicContact CB-CB 3.89Å; V251-E256 HydrophobicContact CG1-CB 3.66Å; V251-E256 HydrophobicContact CG2-CB 4.37Å; V251-T265 HydrophobicContact CG1-CG2 3.74Å; V251-T265 HydrophobicContact CG2-CG2 4.33Å; V251-F267 HydrophobicContact CG2-CB 4.09Å; V251-N278 WeakPolarHBondContact O-CB 3.39Å
252E95.3Very high98.1Very high142 Ų14255.5 Ų55.566%0.66426%0.257SS*.THydrogen-bonded Turntrans-56.1-49.4-166.3-173.9176.4174.400113G254 N278 A279E252-G254 VanDerWaalsContact C-N 3.28Å; E252-G254 PolarHBondContact O-N 3.08Å; E252-N278 CarbonylContact O-C 3.49Å; E252-N278 VanDerWaalsContact O-CA 3.25Å; E252-N278 WeakPolarHBondContact O-CA 3.42Å; E252-A279 PolarHBondContact O-N 3.09Å
253D96.5Very high98.1Very high83 Ų8350.8 Ų50.844%0.44423%0.232SC..THydrogen-bonded Turntrans-88.48.2-177.9-72.3-45.3000113.7V251 Y255V251-D253 PolarHBondContact O-N 2.84Å; D253-Y255 HydrophobicContact CB-CD1 4.29Å; D253-Y255 HydrophobicContact CB-CE1 4.19Å; D253-Y255 PolarHBondContact O-N 3.21Å
254G97.9Very high98.1Very high0 Ų050 Ų500%023%0.228CC..SBendtrans75-9.7-172.600000114V251 E252 F267 A279 A281V251-G254 VanDerWaalsContact CG2-C 3.45Å; V251-G254 PolarHBondContact O-N 2.8Å; V251-G254 VanDerWaalsContact O-N 3.07Å; E252-G254 VanDerWaalsContact C-N 3.28Å; E252-G254 PolarHBondContact O-N 3.08Å; G254-F267 WeakPolarHBondContact CA-O 3.42Å; G254-F267 PolarHBondContact O-N 3.42Å; G254-A279 VanDerWaalsContact CA-O 3.27Å; G254-A279 WeakPolarHBondContact CA-O 3.36Å; G254-A279 PolarHBondContact N-O 2.95Å; G254-A281 VanDerWaalsContact C-CB 3.4Å; G254-A281 WeakPolarHBondContact O-CB 3.43Å
255Y98.5Very high98.1Very high66 Ų6650.1 Ų50.126%0.25923%0.229SC..EExtended strand (participates in β ladder)trans-139.7150.1165.876.3-74.5000111D253 F257 T265 A281 F293 I295D253-Y255 HydrophobicContact CB-CD1 4.29Å; D253-Y255 HydrophobicContact CB-CE1 4.19Å; D253-Y255 PolarHBondContact O-N 3.21Å; Y255-F257 HydrophobicContact CD2-CE2 4.4Å; Y255-F257 HydrophobicContact CE2-CD2 4.31Å; Y255-F257 HydrophobicContact CE2-CE2 4.09Å; Y255-T265 CarbonylContact C-O 3.59Å; Y255-T265 WeakPolarHBondContact CA-O 3.5Å; Y255-A281 HydrophobicContact CD1-CB 4.24Å; Y255-F293 HydrophobicContact CD1-CB 4.1Å; Y255-F293 HydrophobicContact CD1-CD1 4.09Å; Y255-F293 HydrophobicContact CD1-CG 4.05Å; Y255-F293 AromaticContact CD2-CD1 3.71Å; Y255-F293 HydrophobicContact CD2-CD1 3.71Å; Y255-F293 AromaticContact CD2-CD2 3.94Å; Y255-F293 HydrophobicContact CD2-CD2 3.94Å; Y255-F293 AromaticContact CD2-CE1 3.68Å; Y255-F293 HydrophobicContact CD2-CE1 3.68Å; Y255-F293 AromaticContact CD2-CE2 3.92Å; Y255-F293 HydrophobicContact CD2-CE2 3.92Å; Y255-F293 AromaticContact CD2-CG 3.84Å; Y255-F293 HydrophobicContact CD2-CG 3.84Å; Y255-F293 AromaticContact CD2-CZ 3.8Å; Y255-F293 HydrophobicContact CD2-CZ 3.8Å; Y255-F293 HydrophobicContact CE1-CB 4.13Å; Y255-F293 HydrophobicContact CE1-CG 4.23Å; Y255-F293 HydrophobicContact CE2-CD1 4.37Å; Y255-F293 AromaticContact CE2-CD2 3.79Å; Y255-F293 HydrophobicContact CE2-CD2 3.79Å; Y255-F293 HydrophobicContact CE2-CE1 4.47Å; Y255-F293 AromaticContact CE2-CE2 3.93Å; Y255-F293 HydrophobicContact CE2-CE2 3.93Å; Y255-F293 HydrophobicContact CE2-CG 4.03Å; Y255-F293 HydrophobicContact CE2-CZ 4.27Å; Y255-F293 HydrophobicContact CG-CB 4.4Å; Y255-F293 AromaticContact CG-CD1 3.56Å; Y255-F293 HydrophobicContact CG-CD1 3.56Å; Y255-F293 HydrophobicContact CG-CD2 4.42Å; Y255-F293 AromaticContact CG-CE1 3.88Å; Y255-F293 HydrophobicContact CG-CE1 3.88Å; Y255-F293 AromaticContact CG-CG 3.86Å; Y255-F293 HydrophobicContact CG-CG 3.86Å; Y255-F293 HydrophobicContact CG-CZ 4.45Å; Y255-I295 HydrophobicContact CD1-CD1 4.43Å; Y255-I295 HydrophobicContact CD1-CG1 4.41Å; Y255-I295 HydrophobicContact CE1-CD1 3.79Å; Y255-I295 HydrophobicContact CE1-CG1 4.2Å
256E98.5Very high98.1Very high110 Ų11050.1 Ų50.151%0.51423%0.229SC..EExtended strand (participates in β ladder)trans-147.2134.2174.6-171.1174.292.400110.9V251 V264 T265V251-E256 HydrophobicContact CB-CB 3.89Å; V251-E256 HydrophobicContact CG1-CB 3.66Å; V251-E256 HydrophobicContact CG2-CB 4.37Å; E256-V264 CarbonylContact O-C 3.6Å; E256-V264 WeakPolarHBondContact O-CA 3.47Å; E256-T265 PolarHBondContact N-O 3.43Å; E256-T265 PolarHBondContact O-N 3.18Å
257F98.6Very high98.1Very high62 Ų6250.2 Ų50.227%0.27223%0.23SC..EExtended strand (participates in β ladder)trans-89143.5175.7-78.4-67000112Y255 R261 L263 V264 F293Y255-F257 HydrophobicContact CD2-CE2 4.4Å; Y255-F257 HydrophobicContact CE2-CD2 4.31Å; Y255-F257 HydrophobicContact CE2-CE2 4.09Å; F257-R261 HydrophobicContact CB-CB 4.47Å; F257-R261 HydrophobicContact CB-CG 4.08Å; F257-R261 HydrophobicContact CD1-CB 3.67Å; F257-R261 HydrophobicContact CD1-CG 3.96Å; F257-R261 HydrophobicContact CD2-CG 4.12Å; F257-R261 HydrophobicContact CE1-CB 3.97Å; F257-R261 HydrophobicContact CE1-CG 4.39Å; F257-R261 HydrophobicContact CG-CB 4.05Å; F257-R261 HydrophobicContact CG-CG 3.8Å; F257-L263 CarbonylContact C-O 3.58Å; F257-L263 WeakPolarHBondContact CA-O 3.22Å; F257-V264 HydrophobicContact CD1-CB 3.94Å; F257-V264 HydrophobicContact CD1-CG2 4.18Å; F257-V264 HydrophobicContact CE1-CB 3.96Å; F257-V264 HydrophobicContact CE1-CG2 4.15Å; F257-F293 HydrophobicContact CE1-CZ 4.23Å; F257-F293 AromaticContact CE2-CE2 3.82Å; F257-F293 HydrophobicContact CE2-CE2 3.82Å; F257-F293 HydrophobicContact CE2-CZ 4.03Å; F257-F293 AromaticContact CZ-CE2 3.59Å; F257-F293 HydrophobicContact CZ-CE2 3.59Å; F257-F293 AromaticContact CZ-CZ 3.54Å; F257-F293 HydrophobicContact CZ-CZ 3.54Å
258F98.7Very high98.1Very high28 Ų2850.3 Ų50.312%0.12323%0.23CC..EExtended strand (participates in β ladder)trans-128.2161.9174.6-179.9-102.7000110.5P209 K211 P229 V232 K260 R261 Q262 L263P209-F258 HydrophobicContact CB-CD1 3.71Å; P209-F258 HydrophobicContact CB-CD2 4.13Å; P209-F258 HydrophobicContact CB-CE1 3.69Å; P209-F258 HydrophobicContact CB-CE2 4.11Å; P209-F258 HydrophobicContact CB-CG 3.92Å; P209-F258 HydrophobicContact CB-CZ 3.88Å; K211-F258 HydrophobicContact CB-CE2 3.96Å; P229-F258 HydrophobicContact CB-CE1 4.35Å; P229-F258 HydrophobicContact CB-CZ 4.32Å; P229-F258 HydrophobicContact CG-CE1 4.09Å; P229-F258 HydrophobicContact CG-CE2 4.13Å; P229-F258 HydrophobicContact CG-CZ 3.57Å; V232-F258 HydrophobicContact CG2-CD1 4.1Å; V232-F258 HydrophobicContact CG2-CE1 3.87Å; F258-K260 PolarHBondContact O-N 3.14Å; F258-R261 WeakPolarHBondContact O-CA 3.27Å; F258-R261 PolarHBondContact O-N 2.67Å; F258-Q262 PolarHBondContact O-N 3.05Å; F258-L263 HydrophobicContact CB-CB 4.15Å; F258-L263 HydrophobicContact CB-CD2 3.81Å; F258-L263 HydrophobicContact CD1-CB 4.16Å; F258-L263 HydrophobicContact CD1-CD1 4.47Å; F258-L263 HydrophobicContact CD1-CD2 4.45Å; F258-L263 HydrophobicContact CG-CD2 4.49Å; F258-L263 PolarHBondContact N-O 3.43Å; F258-L263 PolarHBondContact O-N 3.17Å
259A98.2Very high98Very high13 Ų1350.1 Ų50.111%0.10723%0.229CC..G310 helixtrans47.756.1174.900000114.2P229 V232 R261 Q262P229-A259 HydrophobicContact CB-CB 3.85Å; V232-A259 HydrophobicContact CB-CB 4.05Å; V232-A259 HydrophobicContact CG1-CB 3.9Å; V232-A259 HydrophobicContact CG2-CB 4.43Å; A259-R261 VanDerWaalsContact C-N 3.29Å; A259-R261 PolarHBondContact O-N 2.82Å; A259-Q262 HydrophobicContact CB-CB 4.24Å; A259-Q262 WeakPolarHBondContact O-CB 3.39Å; A259-Q262 VanDerWaalsContact O-CG 3.26Å; A259-Q262 WeakPolarHBondContact O-CG 3.23Å; A259-Q262 PolarHBondContact O-N 3.36Å; A259-Q262 VanDerWaalsContact O-N 3.12Å; A259-Q262 PolarHBondContact O-OE1 3.26Å
260K97.6Very high98Very high205 Ų20547.8 Ų47.889%0.89122%0.219SC*.G310 helixtrans54.841.6-178-56.8179-179.2176.20113.4F258 Q262F258-K260 PolarHBondContact O-N 3.14Å; K260-Q262 VanDerWaalsContact C-N 3.26Å; K260-Q262 PolarHBondContact O-N 3.42Å
261R98.1Very high97.8Very high165 Ų16547.6 Ų47.662%0.62322%0.216SC*.G310 helixtrans69.116.5-179.2-49.8176.566.1-175.5-2.1114.8L243 F257 F258 A259 L263L243-R261 WeakPolarHBondContact CD1-O 3.47Å; F257-R261 HydrophobicContact CB-CB 4.47Å; F257-R261 HydrophobicContact CB-CG 4.08Å; F257-R261 HydrophobicContact CD1-CB 3.67Å; F257-R261 HydrophobicContact CD1-CG 3.96Å; F257-R261 HydrophobicContact CD2-CG 4.12Å; F257-R261 HydrophobicContact CE1-CB 3.97Å; F257-R261 HydrophobicContact CE1-CG 4.39Å; F257-R261 HydrophobicContact CG-CB 4.05Å; F257-R261 HydrophobicContact CG-CG 3.8Å; F258-R261 WeakPolarHBondContact O-CA 3.27Å; F258-R261 PolarHBondContact O-N 2.67Å; A259-R261 VanDerWaalsContact C-N 3.29Å; A259-R261 PolarHBondContact O-N 2.82Å; R261-L263 VanDerWaalsContact C-N 3.34Å
262Q98.6Very high97.6Very high66 Ų6647.7 Ų47.731%0.30822%0.215SC..THydrogen-bonded Turntrans-81.1-14.7173.7-70.6-171-59.500113.3V232 L236 L243 I244 F258 A259 K260V232-Q262 HydrophobicContact CG1-CB 3.74Å; L236-Q262 HydrophobicContact CD1-CB 3.53Å; L236-Q262 HydrophobicContact CD1-CG 3.98Å; L243-Q262 WeakPolarHBondContact CA-O 3.06Å; I244-Q262 PolarHBondContact N-O 2.96Å; F258-Q262 PolarHBondContact O-N 3.05Å; A259-Q262 HydrophobicContact CB-CB 4.24Å; A259-Q262 WeakPolarHBondContact O-CB 3.39Å; A259-Q262 VanDerWaalsContact O-CG 3.26Å; A259-Q262 WeakPolarHBondContact O-CG 3.23Å; A259-Q262 PolarHBondContact O-N 3.36Å; A259-Q262 VanDerWaalsContact O-N 3.12Å; A259-Q262 PolarHBondContact O-OE1 3.26Å; K260-Q262 VanDerWaalsContact C-N 3.26Å; K260-Q262 PolarHBondContact O-N 3.42Å
263L98.9Very high97.2Very high0 Ų042.9 Ų42.90%020%0.197CC..EExtended strand (participates in β ladder)trans-133.1142.8170.2-179.4154.2000109.2P209 F227 V232 I244 R246 F257 F258 R261P209-L263 HydrophobicContact CB-CD1 4.39Å; P209-L263 HydrophobicContact CB-CD2 4.44Å; P209-L263 HydrophobicContact CG-CD2 4.06Å; F227-L263 HydrophobicContact CE2-CD1 3.78Å; F227-L263 HydrophobicContact CZ-CD1 4.08Å; V232-L263 HydrophobicContact CG1-CB 4.24Å; V232-L263 HydrophobicContact CG2-CB 4.5Å; V232-L263 HydrophobicContact CG2-CD1 4.05Å; I244-L263 HydrophobicContact CB-CB 4.12Å; I244-L263 HydrophobicContact CB-CD1 3.98Å; I244-L263 HydrophobicContact CB-CG 3.93Å; I244-L263 HydrophobicContact CD1-CD1 4.25Å; I244-L263 HydrophobicContact CG2-CD1 3.73Å; I244-L263 HydrophobicContact CG2-CG 3.94Å; I244-L263 CarbonylContact O-C 3.55Å; I244-L263 VanDerWaalsContact O-CA 3.25Å; I244-L263 WeakPolarHBondContact O-CA 3.26Å; R246-L263 HydrophobicContact CG-CD1 4.28Å; R246-L263 HydrophobicContact CG-CD2 3.98Å; R246-L263 HydrophobicContact CG-CG 4.23Å; F257-L263 CarbonylContact C-O 3.58Å; F257-L263 WeakPolarHBondContact CA-O 3.22Å; F258-L263 HydrophobicContact CB-CB 4.15Å; F258-L263 HydrophobicContact CB-CD2 3.81Å; F258-L263 HydrophobicContact CD1-CB 4.16Å; F258-L263 HydrophobicContact CD1-CD1 4.47Å; F258-L263 HydrophobicContact CD1-CD2 4.45Å; F258-L263 HydrophobicContact CG-CD2 4.49Å; F258-L263 PolarHBondContact N-O 3.43Å; F258-L263 PolarHBondContact O-N 3.17Å; R261-L263 VanDerWaalsContact C-N 3.34Å
264V98.8Very high96.6Very high0 Ų040.8 Ų40.80%020%0.195CC..EExtended strand (participates in β ladder)trans-126.5132170.765.60000110.3L243 I244 C245 R246 E256 F257 L266 M283 F293L243-V264 HydrophobicContact CD1-CB 4.43Å; L243-V264 HydrophobicContact CD1-CG1 4.13Å; L243-V264 HydrophobicContact CD2-CG1 4.16Å; L243-V264 HydrophobicContact CG-CG1 4.4Å; I244-V264 PolarHBondContact O-N 3.26Å; C245-V264 HydrophobicContact CB-CG1 4.05Å; R246-V264 PolarHBondContact N-O 2.93Å; E256-V264 CarbonylContact O-C 3.6Å; E256-V264 WeakPolarHBondContact O-CA 3.47Å; F257-V264 HydrophobicContact CD1-CB 3.94Å; F257-V264 HydrophobicContact CD1-CG2 4.18Å; F257-V264 HydrophobicContact CE1-CB 3.96Å; F257-V264 HydrophobicContact CE1-CG2 4.15Å; V264-L266 HydrophobicContact CG2-CD2 4.23Å; V264-M283 HydrophobicContact CG1-CE 4.35Å; V264-M283 HydrophobicContact CG1-SD 4.06Å; V264-F293 HydrophobicContact CG2-CE1 3.87Å; V264-F293 HydrophobicContact CG2-CZ 3.98Å
265T98.9Very high96Very high3 Ų346.5 Ų46.52%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-93.3131.1167.6-63.90000108.6R246 A247 Q249 V251 Y255 E256R246-T265 WeakPolarHBondContact CD-OG1 3.43Å; R246-T265 PolarHBondContact NH1-OG1 3.25Å; R246-T265 CarbonylContact O-C 3.06Å; R246-T265 WeakPolarHBondContact O-CA 3.3Å; A247-T265 WeakPolarHBondContact O-CG2 3.5Å; Q249-T265 HydrophobicContact CB-CG2 4.16Å; V251-T265 HydrophobicContact CG1-CG2 3.74Å; V251-T265 HydrophobicContact CG2-CG2 4.33Å; Y255-T265 CarbonylContact C-O 3.59Å; Y255-T265 WeakPolarHBondContact CA-O 3.5Å; E256-T265 PolarHBondContact N-O 3.43Å; E256-T265 PolarHBondContact O-N 3.18Å
266L98.8Very high95.5Very high0 Ų046.1 Ų46.10%022%0.222CC..EExtended strand (participates in β ladder)trans-115.1135.8173-63.3-178.1000110.3I61 L90 C245 R246 A247 V264 M283 F293I61-L266 HydrophobicContact CB-CD1 4Å; I61-L266 HydrophobicContact CG2-CD1 3.93Å; L90-L266 HydrophobicContact CD1-CB 4.45Å; L90-L266 HydrophobicContact CD1-CD1 4.32Å; C245-L266 VanDerWaalsContact SG-CD1 3.53Å; R246-L266 PolarHBondContact O-N 3.33Å; A247-L266 WeakPolarHBondContact CA-O 3.27Å; A247-L266 WeakPolarHBondContact CB-O 3.44Å; V264-L266 HydrophobicContact CG2-CD2 4.23Å; L266-M283 HydrophobicContact CD1-CB 3.78Å; L266-M283 HydrophobicContact CD2-CB 4.15Å; L266-F293 HydrophobicContact CD2-CD1 4.11Å; L266-F293 HydrophobicContact CD2-CE1 3.88Å
267F98.6Very high95.2Very high2 Ų247.3 Ų47.31%0.00923%0.232CC..BIsolated β-bridgetrans-135.6122.8172.6-162-89.9000108.4D64 Q249 V250 V251 G254 A269 Y272 G280 A281D64-F267 HydrophobicContact CB-CD2 3.83Å; D64-F267 HydrophobicContact CB-CE2 3.51Å; D64-F267 HydrophobicContact CB-CZ 3.96Å; D64-F267 WeakPolarHBondContact OD2-CE2 2.99Å; Q249-F267 WeakPolarHBondContact O-CD2 3.48Å; V250-F267 HydrophobicContact CB-CE2 4.48Å; V250-F267 HydrophobicContact CG1-CE1 4.5Å; V250-F267 HydrophobicContact CG2-CD2 4.29Å; V250-F267 HydrophobicContact CG2-CE1 4.02Å; V250-F267 HydrophobicContact CG2-CE2 3.73Å; V250-F267 HydrophobicContact CG2-CZ 3.6Å; V251-F267 HydrophobicContact CG2-CB 4.09Å; G254-F267 WeakPolarHBondContact CA-O 3.42Å; G254-F267 PolarHBondContact O-N 3.42Å; F267-A269 HydrophobicContact CD1-CB 4.25Å; F267-A269 HydrophobicContact CE1-CB 3.59Å; F267-A269 VanDerWaalsContact CE1-O 3.29Å; F267-A269 WeakPolarHBondContact CE1-O 3.44Å; F267-A269 HydrophobicContact CZ-CB 4.23Å; F267-Y272 AromaticContact CE1-CD2 3.91Å; F267-Y272 HydrophobicContact CE1-CD2 3.91Å; F267-Y272 AromaticContact CE1-CG 3.84Å; F267-Y272 HydrophobicContact CE1-CG 3.84Å; F267-Y272 HydrophobicContact CZ-CD1 4.07Å; F267-Y272 AromaticContact CZ-CD2 3.66Å; F267-Y272 HydrophobicContact CZ-CD2 3.66Å; F267-Y272 HydrophobicContact CZ-CE1 4.31Å; F267-Y272 AromaticContact CZ-CE2 3.94Å; F267-Y272 HydrophobicContact CZ-CE2 3.94Å; F267-Y272 AromaticContact CZ-CG 3.71Å; F267-Y272 HydrophobicContact CZ-CG 3.71Å; F267-G280 CarbonylContact O-C 3.58Å; F267-G280 VanDerWaalsContact O-CA 3.23Å; F267-G280 WeakPolarHBondContact O-CA 3.35Å; F267-A281 PolarHBondContact O-N 2.99Å
268S98.6Very high95.1Very high1 Ų144.5 Ų44.51%0.00722%0.219CC..  trans-107.20.9-168-61.80000114G63 D64 P270 A281G63-S268 PolarHBondContact N-OG 2.81Å; D64-S268 CarbonylContact O-C 3.56Å; D64-S268 VanDerWaalsContact O-C 3.29Å; D64-S268 WeakPolarHBondContact O-CA 3.14Å; D64-S268 WeakPolarHBondContact O-CB 3.44Å; D64-S268 PolarHBondContact O-N 3.04Å; D64-S268 VanDerWaalsContact O-N 3.15Å; S268-P270 WeakPolarHBondContact O-CD 3.31Å; S268-A281 PolarHBondContact OG-O 3.29Å
269A97.5Very high95Very high1 Ų143.5 Ų43.51%0.00822%0.216CC..  trans-98.596177.400000111.5D64 Q68 F267 Y272 N278D64-A269 PolarHBondContact O-N 2.95Å; Q68-A269 HydrophobicContact CG-CB 4.32Å; F267-A269 HydrophobicContact CD1-CB 4.25Å; F267-A269 HydrophobicContact CE1-CB 3.59Å; F267-A269 VanDerWaalsContact CE1-O 3.29Å; F267-A269 WeakPolarHBondContact CE1-O 3.44Å; F267-A269 HydrophobicContact CZ-CB 4.23Å; A269-Y272 HydrophobicContact CB-CD2 4.19Å; A269-N278 PolarHBondContact O-ND2 3.19Å
270P96.5Very high95Very high3 Ų342.9 Ų42.92%0.01921%0.212CC..THydrogen-bonded Turntrans-67.2148.1178.728-35.6000112.2Q68 D71 S268 Y272 N278 L296 P298Q68-P270 PolarHBondContact NE2-O 3.39Å; D71-P270 HydrophobicContact CB-CG 4Å; S268-P270 WeakPolarHBondContact O-CD 3.31Å; P270-Y272 VanDerWaalsContact C-N 3.26Å; P270-Y272 PolarHBondContact O-N 3.34Å; P270-N278 WeakPolarHBondContact CA-O 3.41Å; P270-L296 HydrophobicContact CG-CD2 4.08Å; P270-L296 HydrophobicContact CG-CG 4.42Å; P270-P298 HydrophobicContact CB-CG 4.37Å
271N94.2Very high95Very high41 Ų4133.3 Ų33.322%0.21917%0.17CC..THydrogen-bonded Turntrans46.853.1-177.3158.286.9000110.5C273 G274 F276 N278 P298 K301N271-C273 PolarHBondContact O-N 3.38Å; N271-G274 WeakPolarHBondContact O-CA 3.33Å; N271-G274 PolarHBondContact O-N 3.19Å; N271-F276 CarbonylContact C-O 3.49Å; N271-F276 WeakPolarHBondContact CA-O 3.38Å; N271-F276 PolarHBondContact OD1-O 3.48Å; N271-N278 PolarHBondContact N-O 3.04Å; N271-N278 PolarHBondContact N-OD1 3.44Å; N271-P298 HydrophobicContact CB-CB 3.84Å; N271-P298 HydrophobicContact CB-CG 3.96Å; N271-K301 PolarHBondContact ND2-NZ 3.21Å; N271-K301 PolarHBondContact OD1-NZ 2.95Å
272Y92.9Very high95Very high10 Ų1025.6 Ų25.64%0.03914%0.141CC..G310 helixtrans-51.9132-170.6179.9-123.7000111.7H66 R96 V250 F267 A269 P270 G274 E275 F276 N278H66-Y272 HydrophobicContact CB-CE2 3.74Å; H66-Y272 AromaticContact CD2-CE2 3.23Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.44Å; H66-Y272 AromaticContact CD2-CZ 3.54Å; H66-Y272 PolarHBondContact CD2-OH 3.42Å; H66-Y272 AromaticContact CG-CE2 3.7Å; H66-Y272 AromaticContact NE2-CE2 4Å; H66-Y272 AromaticContact NE2-CZ 3.82Å; H66-Y272 PolarHBondContact NE2-OH 3.16Å; R96-Y272 HydrophobicContact CB-CE2 4.36Å; R96-Y272 WeakPolarHBondContact CG-OH 3.23Å; V250-Y272 HydrophobicContact CG2-CD1 3.49Å; V250-Y272 VanDerWaalsContact CG2-CD1 3.49Å; V250-Y272 HydrophobicContact CG2-CE1 3.97Å; V250-Y272 HydrophobicContact CG2-CG 4.14Å; F267-Y272 AromaticContact CE1-CD2 3.91Å; F267-Y272 HydrophobicContact CE1-CD2 3.91Å; F267-Y272 AromaticContact CE1-CG 3.84Å; F267-Y272 HydrophobicContact CE1-CG 3.84Å; F267-Y272 HydrophobicContact CZ-CD1 4.07Å; F267-Y272 AromaticContact CZ-CD2 3.66Å; F267-Y272 HydrophobicContact CZ-CD2 3.66Å; F267-Y272 HydrophobicContact CZ-CE1 4.31Å; F267-Y272 AromaticContact CZ-CE2 3.94Å; F267-Y272 HydrophobicContact CZ-CE2 3.94Å; F267-Y272 AromaticContact CZ-CG 3.71Å; F267-Y272 HydrophobicContact CZ-CG 3.71Å; A269-Y272 HydrophobicContact CB-CD2 4.19Å; P270-Y272 VanDerWaalsContact C-N 3.26Å; P270-Y272 PolarHBondContact O-N 3.34Å; Y272-G274 PolarHBondContact O-N 3.3Å; Y272-E275 PolarHBondContact O-N 3.31Å; Y272-F276 AromaticContact CD1-CD2 3.69Å; Y272-F276 HydrophobicContact CD1-CD2 3.69Å; Y272-F276 AromaticContact CD1-CE2 3.72Å; Y272-F276 HydrophobicContact CD1-CE2 3.72Å; Y272-F276 HydrophobicContact CE1-CE2 4.35Å; Y272-F276 HydrophobicContact CG-CD2 4.32Å; Y272-F276 WeakPolarHBondContact O-CD2 3.43Å; Y272-F276 PolarHBondContact O-N 2.92Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.24Å; Y272-N278 PolarHBondContact N-OD1 3.39Å
273C85.6Confident95Very high42 Ų4222.4 Ų22.428%0.28413%0.127SC..G310 helixtrans55.72.9-174.4-61.80000115.6N271 E275N271-C273 PolarHBondContact O-N 3.38Å; C273-E275 HydrophobicContact CB-CB 4.45Å; C273-E275 HydrophobicContact CB-CG 4.22Å
274G85.4Confident95Very high39 Ų3923.2 Ų23.240%0.40213%0.132SC..G310 helixtrans74.311-168.100000114.6N271 Y272N271-G274 WeakPolarHBondContact O-CA 3.33Å; N271-G274 PolarHBondContact O-N 3.19Å; Y272-G274 PolarHBondContact O-N 3.3Å
275E84.9Confident95Very high120 Ų12023.4 Ų23.456%0.56113%0.133SC*.THydrogen-bonded Turntrans-115.4-24.4-172.1-61.7-173.6-146.500112.8Y272 C273 P314Y272-E275 PolarHBondContact O-N 3.31Å; C273-E275 HydrophobicContact CB-CB 4.45Å; C273-E275 HydrophobicContact CB-CG 4.22Å; E275-P314 HydrophobicContact CB-CG 4.39Å; E275-P314 VanDerWaalsContact CD-CG 3.47Å; E275-P314 WeakPolarHBondContact OE2-CD 3.26Å; E275-P314 WeakPolarHBondContact OE2-CG 3.46Å
276F86.9Confident94.9Very high57 Ų5726.1 Ų26.125%0.2515%0.148CC..  trans-99.7155.7172.1-62.8-96.6000110.1V250 N271 Y272 N278 P314V250-F276 HydrophobicContact CB-CD1 4.47Å; V250-F276 HydrophobicContact CB-CE1 4.49Å; V250-F276 HydrophobicContact CG1-CB 4.33Å; V250-F276 HydrophobicContact CG1-CD1 3.9Å; V250-F276 HydrophobicContact CG1-CE1 4.4Å; V250-F276 HydrophobicContact CG1-CG 4.09Å; N271-F276 CarbonylContact C-O 3.49Å; N271-F276 WeakPolarHBondContact CA-O 3.38Å; N271-F276 PolarHBondContact OD1-O 3.48Å; Y272-F276 AromaticContact CD1-CD2 3.69Å; Y272-F276 HydrophobicContact CD1-CD2 3.69Å; Y272-F276 AromaticContact CD1-CE2 3.72Å; Y272-F276 HydrophobicContact CD1-CE2 3.72Å; Y272-F276 HydrophobicContact CE1-CE2 4.35Å; Y272-F276 HydrophobicContact CG-CD2 4.32Å; Y272-F276 WeakPolarHBondContact O-CD2 3.43Å; Y272-F276 PolarHBondContact O-N 2.92Å; F276-N278 HydrophobicContact CB-CB 4.49Å; F276-N278 VanDerWaalsContact CB-OD1 3.26Å; F276-N278 WeakPolarHBondContact CB-OD1 3.4Å; F276-P314 HydrophobicContact CE2-CG 4.08Å; F276-P314 WeakPolarHBondContact CZ-O 3.48Å
277D92.2Very high94.8Very high136 Ų13632 Ų3273%0.72718%0.179SC*.  trans-101.812.9173.556.2-11000112.9
278N96.8Very high94.6Very high2 Ų237.1 Ų37.11%0.01121%0.211CC..PPolyproline II helixtrans-62.6149.1-178.873.8-68.5000113.3V250 V251 E252 A269 P270 N271 Y272 F276 P298V250-N278 HydrophobicContact CG1-CB 3.79Å; V251-N278 WeakPolarHBondContact O-CB 3.39Å; E252-N278 CarbonylContact O-C 3.49Å; E252-N278 VanDerWaalsContact O-CA 3.25Å; E252-N278 WeakPolarHBondContact O-CA 3.42Å; A269-N278 PolarHBondContact O-ND2 3.19Å; P270-N278 WeakPolarHBondContact CA-O 3.41Å; N271-N278 PolarHBondContact N-O 3.04Å; N271-N278 PolarHBondContact N-OD1 3.44Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.24Å; Y272-N278 PolarHBondContact N-OD1 3.39Å; F276-N278 HydrophobicContact CB-CB 4.49Å; F276-N278 VanDerWaalsContact CB-OD1 3.26Å; F276-N278 WeakPolarHBondContact CB-OD1 3.4Å; N278-P298 WeakPolarHBondContact O-CG 3.49Å
279A96.8Very high94.4Very high7 Ų739.6 Ų39.66%0.05822%0.224CC..PPolyproline II helixtrans-78.2165.516100000111.3E252 G254 I295E252-A279 PolarHBondContact O-N 3.09Å; G254-A279 VanDerWaalsContact CA-O 3.27Å; G254-A279 WeakPolarHBondContact CA-O 3.36Å; G254-A279 PolarHBondContact N-O 2.95Å; A279-I295 HydrophobicContact CB-CG2 3.55Å
280G97.7Very high94.4Very high1 Ų144.8 Ų44.81%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-98.2150.7161.700000109.4F267 I295 L296F267-G280 CarbonylContact O-C 3.58Å; F267-G280 VanDerWaalsContact O-CA 3.23Å; F267-G280 WeakPolarHBondContact O-CA 3.35Å; G280-I295 CarbonylContact O-C 3.6Å; G280-I295 WeakPolarHBondContact O-CA 3.41Å; G280-L296 PolarHBondContact N-O 3.14Å; G280-L296 PolarHBondContact O-N 2.92Å
281A98.4Very high94.5Very high3 Ų346.3 Ų46.33%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-134.2160.4169.700000112.2G254 Y255 F267 S268 Q294G254-A281 VanDerWaalsContact C-CB 3.4Å; G254-A281 WeakPolarHBondContact O-CB 3.43Å; Y255-A281 HydrophobicContact CD1-CB 4.24Å; F267-A281 PolarHBondContact O-N 2.99Å; S268-A281 PolarHBondContact OG-O 3.29Å; A281-Q294 WeakPolarHBondContact CA-O 3.26Å
282M98.3Very high94.6Very high3 Ų347.3 Ų47.32%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-127148160.963.5168.864.400109.1K60 I61 L75 Y87 F293 Q294K60-M282 HydrophobicContact CB-SD 4.34Å; K60-M282 HydrophobicContact CD-SD 3.87Å; K60-M282 HydrophobicContact CG-SD 4.35Å; I61-M282 CarbonylContact O-C 3.55Å; I61-M282 VanDerWaalsContact O-CA 3.29Å; I61-M282 WeakPolarHBondContact O-CA 3.47Å; I61-M282 WeakPolarHBondContact O-CB 3.49Å; L75-M282 HydrophobicContact CB-CE 4.33Å; L75-M282 HydrophobicContact CD1-CE 4.23Å; L75-M282 HydrophobicContact CD2-CE 3.19Å; L75-M282 HydrophobicContact CG-CE 3.27Å; L75-M282 VanDerWaalsContact O-CE 3.28Å; L75-M282 WeakPolarHBondContact O-CE 3.41Å; Y87-M282 HydrophobicContact CE1-CE 4.24Å; M282-F293 WeakPolarHBondContact O-CA 3.37Å; M282-Q294 HydrophobicContact CG-CB 3.64Å; M282-Q294 HydrophobicContact CG-CG 4.45Å; M282-Q294 PolarHBondContact N-O 3.38Å; M282-Q294 PolarHBondContact O-N 2.85Å; M282-Q294 HydrophobicContact SD-CB 4.22Å; M282-Q294 PolarHBondContact SD-OE1 3.41Å
283M98.7Very high94.9Very high0 Ų049 Ų490%028%0.279CS..EExtended strand (participates in β ladder)trans-100.1121.6173.5-172.8171.170.200109.3K60 I61 L243 C245 V264 L266 V285 C291 S292 F293K60-M283 CarbonylContact C-O 3.54Å; K60-M283 WeakPolarHBondContact CA-O 3.29Å; I61-M283 HydrophobicContact CB-CB 4.46Å; I61-M283 HydrophobicContact CD1-CE 3.58Å; I61-M283 HydrophobicContact CG1-CE 4.37Å; I61-M283 PolarHBondContact N-O 3.32Å; I61-M283 PolarHBondContact O-N 2.89Å; L243-M283 HydrophobicContact CD2-CE 4.18Å; L243-M283 HydrophobicContact CD2-SD 4.35Å; C245-M283 HydrophobicContact CB-CE 4.12Å; V264-M283 HydrophobicContact CG1-CE 4.35Å; V264-M283 HydrophobicContact CG1-SD 4.06Å; L266-M283 HydrophobicContact CD1-CB 3.78Å; L266-M283 HydrophobicContact CD2-CB 4.15Å; M283-V285 HydrophobicContact CE-CG2 4.01Å; M283-V285 HydrophobicContact CG-CG2 4.48Å; M283-C291 HydrophobicContact CG-CB 4.08Å; M283-C291 HydrophobicContact SD-CB 3.8Å; M283-S292 CarbonylContact C-O 3.49Å; M283-S292 WeakPolarHBondContact CA-O 3.27Å; M283-F293 HydrophobicContact CB-CD1 4.07Å; M283-F293 HydrophobicContact CB-CE1 3.92Å; M283-F293 HydrophobicContact CG-CD1 4.19Å; M283-F293 HydrophobicContact CG-CE1 3.77Å; M283-F293 HydrophobicContact CG-CZ 4.2Å; M283-F293 HydrophobicContact SD-CE1 3.76Å; M283-F293 HydrophobicContact SD-CZ 3.87Å
284S98.4Very high95.4Very high17 Ų1749 Ų4912%0.11928%0.275CS..EExtended strand (participates in β ladder)trans-91126.4169-600000109.1K60 C291 S292 Q294K60-S284 PolarHBondContact NZ-OG 3.42Å; S284-C291 WeakPolarHBondContact O-CA 3.5Å; S284-S292 PolarHBondContact N-O 3.5Å; S284-S292 PolarHBondContact O-N 3.34Å; S284-Q294 PolarHBondContact OG-OE1 3.06Å
285V98.4Very high95.9Very high3 Ų349.7 Ų49.72%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-108.2119.6172.3-173.20000106.8A57 P58 L59 I61 I169 M283 L289A57-V285 HydrophobicContact CB-CG1 4.07Å; P58-V285 VanDerWaalsContact CA-O 3.26Å; P58-V285 WeakPolarHBondContact CA-O 3.26Å; L59-V285 PolarHBondContact N-O 3.43Å; L59-V285 PolarHBondContact O-N 3.49Å; I61-V285 HydrophobicContact CD1-CG2 4.1Å; I61-V285 HydrophobicContact CG1-CG2 4.41Å; I169-V285 HydrophobicContact CD1-CG1 3.99Å; I169-V285 HydrophobicContact CD1-CG2 4.09Å; M283-V285 HydrophobicContact CE-CG2 4.01Å; M283-V285 HydrophobicContact CG-CG2 4.48Å; V285-L289 HydrophobicContact CG1-CD2 3.82Å
286D97.3Very high96.3Very high60 Ų6045.1 Ų45.132%0.32125%0.248SC..  trans-89.8174.9175.674.316.5000112.4A57 T288 L289 L290A57-D286 VanDerWaalsContact CB-O 3.26Å; A57-D286 WeakPolarHBondContact CB-O 3.44Å; D286-T288 PolarHBondContact O-N 3.5Å; D286-T288 WeakPolarHBondContact OD1-CA 3.47Å; D286-T288 WeakPolarHBondContact OD1-CB 3.46Å; D286-T288 PolarHBondContact OD1-N 2.66Å; D286-T288 PolarHBondContact OD1-OG1 2.98Å; D286-L289 WeakPolarHBondContact O-CA 3.3Å; D286-L289 PolarHBondContact O-N 3.25Å; D286-L289 PolarHBondContact OD1-N 3.34Å; D286-L290 PolarHBondContact N-O 3.15Å; D286-L290 WeakPolarHBondContact OD1-CB 3.48Å; D286-L290 PolarHBondContact OD1-N 3.12Å; D286-L290 WeakPolarHBondContact OD2-CB 3.07Å
287D95.8Very high96.5Very high123 Ų12351.3 Ų51.366%0.65827%0.27SS*.THydrogen-bonded Turntrans-59.4-13.2-178.3-50.9-11.9000113.9P58P58-D287 VanDerWaalsContact CB-OD1 3.28Å; P58-D287 WeakPolarHBondContact CB-OD1 3.5Å; P58-D287 WeakPolarHBondContact CD-OD1 3.5Å; P58-D287 WeakPolarHBondContact CG-OD1 3.43Å
288T96Very high96.3Very high111 Ų11147.2 Ų47.268%0.68125%0.251SS*.THydrogen-bonded Turntrans-101.38.5175.971.60000112.9D286 L290D286-T288 PolarHBondContact O-N 3.5Å; D286-T288 WeakPolarHBondContact OD1-CA 3.47Å; D286-T288 WeakPolarHBondContact OD1-CB 3.46Å; D286-T288 PolarHBondContact OD1-N 2.66Å; D286-T288 PolarHBondContact OD1-OG1 2.98Å; T288-L290 PolarHBondContact O-N 3.45Å
289L94.7Very high95.3Very high53 Ų5350.1 Ų50.128%0.27728%0.275SS..  trans62.517.1-172.5-61.1172000114.6A57 I165 D166 K168 I169 V285 D286 C291A57-L289 HydrophobicContact CB-CD2 4.37Å; I165-L289 HydrophobicContact CG2-CD2 4.45Å; D166-L289 HydrophobicContact CB-CD1 4.03Å; D166-L289 HydrophobicContact CB-CD2 3.73Å; D166-L289 HydrophobicContact CB-CG 4.34Å; D166-L289 WeakPolarHBondContact OD2-CD2 3.5Å; K168-L289 HydrophobicContact CB-CD1 4Å; K168-L289 HydrophobicContact CG-CD1 3.95Å; I169-L289 HydrophobicContact CD1-CD2 4.38Å; V285-L289 HydrophobicContact CG1-CD2 3.82Å; D286-L289 WeakPolarHBondContact O-CA 3.3Å; D286-L289 PolarHBondContact O-N 3.25Å; D286-L289 PolarHBondContact OD1-N 3.34Å; L289-C291 PolarHBondContact O-N 2.79Å
290L96.5Very high93.9Very high110 Ų11059.1 Ų59.158%0.57632%0.316SS*.  trans-71.1119173.2-178.165.8000109.3D286 T288D286-L290 PolarHBondContact N-O 3.15Å; D286-L290 WeakPolarHBondContact OD1-CB 3.48Å; D286-L290 PolarHBondContact OD1-N 3.12Å; D286-L290 WeakPolarHBondContact OD2-CB 3.07Å; T288-L290 PolarHBondContact O-N 3.45Å
291C97.8Very high92Very high35 Ų3565.7 Ų65.724%0.23634%0.344CS..EExtended strand (participates in β ladder)trans-91.1124.3178.3-63.80000110.9M283 S284 L289M283-C291 HydrophobicContact CG-CB 4.08Å; M283-C291 HydrophobicContact SD-CB 3.8Å; S284-C291 WeakPolarHBondContact O-CA 3.5Å; L289-C291 PolarHBondContact O-N 2.79Å
292S97.6Very high89.3Confident62 Ų6274.1 Ų74.143%0.43438%0.38SS..EExtended strand (participates in β ladder)trans-126.2154.9172.761.70000111M283 S284M283-S292 CarbonylContact C-O 3.49Å; M283-S292 WeakPolarHBondContact CA-O 3.27Å; S284-S292 PolarHBondContact N-O 3.5Å; S284-S292 PolarHBondContact O-N 3.34Å
293F98Very high86.1Confident46 Ų4682 Ų8220%0.20241%0.414CS..EExtended strand (participates in β ladder)trans-115.1131-175.3-59-86000111.2Y255 F257 V264 L266 M282 M283Y255-F293 HydrophobicContact CD1-CB 4.1Å; Y255-F293 HydrophobicContact CD1-CD1 4.09Å; Y255-F293 HydrophobicContact CD1-CG 4.05Å; Y255-F293 AromaticContact CD2-CD1 3.71Å; Y255-F293 HydrophobicContact CD2-CD1 3.71Å; Y255-F293 AromaticContact CD2-CD2 3.94Å; Y255-F293 HydrophobicContact CD2-CD2 3.94Å; Y255-F293 AromaticContact CD2-CE1 3.68Å; Y255-F293 HydrophobicContact CD2-CE1 3.68Å; Y255-F293 AromaticContact CD2-CE2 3.92Å; Y255-F293 HydrophobicContact CD2-CE2 3.92Å; Y255-F293 AromaticContact CD2-CG 3.84Å; Y255-F293 HydrophobicContact CD2-CG 3.84Å; Y255-F293 AromaticContact CD2-CZ 3.8Å; Y255-F293 HydrophobicContact CD2-CZ 3.8Å; Y255-F293 HydrophobicContact CE1-CB 4.13Å; Y255-F293 HydrophobicContact CE1-CG 4.23Å; Y255-F293 HydrophobicContact CE2-CD1 4.37Å; Y255-F293 AromaticContact CE2-CD2 3.79Å; Y255-F293 HydrophobicContact CE2-CD2 3.79Å; Y255-F293 HydrophobicContact CE2-CE1 4.47Å; Y255-F293 AromaticContact CE2-CE2 3.93Å; Y255-F293 HydrophobicContact CE2-CE2 3.93Å; Y255-F293 HydrophobicContact CE2-CG 4.03Å; Y255-F293 HydrophobicContact CE2-CZ 4.27Å; Y255-F293 HydrophobicContact CG-CB 4.4Å; Y255-F293 AromaticContact CG-CD1 3.56Å; Y255-F293 HydrophobicContact CG-CD1 3.56Å; Y255-F293 HydrophobicContact CG-CD2 4.42Å; Y255-F293 AromaticContact CG-CE1 3.88Å; Y255-F293 HydrophobicContact CG-CE1 3.88Å; Y255-F293 AromaticContact CG-CG 3.86Å; Y255-F293 HydrophobicContact CG-CG 3.86Å; Y255-F293 HydrophobicContact CG-CZ 4.45Å; F257-F293 HydrophobicContact CE1-CZ 4.23Å; F257-F293 AromaticContact CE2-CE2 3.82Å; F257-F293 HydrophobicContact CE2-CE2 3.82Å; F257-F293 HydrophobicContact CE2-CZ 4.03Å; F257-F293 AromaticContact CZ-CE2 3.59Å; F257-F293 HydrophobicContact CZ-CE2 3.59Å; F257-F293 AromaticContact CZ-CZ 3.54Å; F257-F293 HydrophobicContact CZ-CZ 3.54Å; V264-F293 HydrophobicContact CG2-CE1 3.87Å; V264-F293 HydrophobicContact CG2-CZ 3.98Å; L266-F293 HydrophobicContact CD2-CD1 4.11Å; L266-F293 HydrophobicContact CD2-CE1 3.88Å; M282-F293 WeakPolarHBondContact O-CA 3.37Å; M283-F293 HydrophobicContact CB-CD1 4.07Å; M283-F293 HydrophobicContact CB-CE1 3.92Å; M283-F293 HydrophobicContact CG-CD1 4.19Å; M283-F293 HydrophobicContact CG-CE1 3.77Å; M283-F293 HydrophobicContact CG-CZ 4.2Å; M283-F293 HydrophobicContact SD-CE1 3.76Å; M283-F293 HydrophobicContact SD-CZ 3.87Å
294Q96.4Very high83.1Confident40 Ų4091.6 Ų91.619%0.18745%0.452CS..EExtended strand (participates in β ladder)trans-107.2114.3172-69.4-176-78.100108.2Y78 A281 M282 S284Y78-Q294 HydrophobicContact CD1-CB 3.89Å; Y78-Q294 HydrophobicContact CE1-CB 3.55Å; Y78-Q294 HydrophobicContact CE1-CG 4.18Å; Y78-Q294 PolarHBondContact O-NE2 2.96Å; Y78-Q294 VanDerWaalsContact O-NE2 3.11Å; A281-Q294 WeakPolarHBondContact CA-O 3.26Å; M282-Q294 HydrophobicContact CG-CB 3.64Å; M282-Q294 HydrophobicContact CG-CG 4.45Å; M282-Q294 PolarHBondContact N-O 3.38Å; M282-Q294 PolarHBondContact O-N 2.85Å; M282-Q294 HydrophobicContact SD-CB 4.22Å; M282-Q294 PolarHBondContact SD-OE1 3.41Å; S284-Q294 PolarHBondContact OG-OE1 3.06Å
295I96.5Very high79.8Confident55 Ų55100.6 Ų100.628%0.28249%0.485SS..EExtended strand (participates in β ladder)trans-101.2122.2-172-54170.4000110.4Y255 A279 G280Y255-I295 HydrophobicContact CD1-CD1 4.43Å; Y255-I295 HydrophobicContact CD1-CG1 4.41Å; Y255-I295 HydrophobicContact CE1-CD1 3.79Å; Y255-I295 HydrophobicContact CE1-CG1 4.2Å; A279-I295 HydrophobicContact CB-CG2 3.55Å; G280-I295 CarbonylContact O-C 3.6Å; G280-I295 WeakPolarHBondContact O-CA 3.41Å
296L93.2Very high77Confident23 Ų23106.3 Ų106.312%0.1252%0.519CS..EExtended strand (participates in β ladder)trans-95.898.6172.5-171.667.5000110.1D71 R74 P270 G280D71-L296 HydrophobicContact CB-CD2 4.45Å; R74-L296 HydrophobicContact CB-CD1 4.15Å; R74-L296 HydrophobicContact CB-CD2 3.95Å; P270-L296 HydrophobicContact CG-CD2 4.08Å; P270-L296 HydrophobicContact CG-CG 4.42Å; G280-L296 PolarHBondContact N-O 3.14Å; G280-L296 PolarHBondContact O-N 2.92Å
297R91.7Very high73.8Confident188 Ų188107.3 Ų107.371%0.70954%0.543SS*.PPolyproline II helixtrans-66.9150.9174.7-66.3-177.2-177.7-109.6-3.3111.5R74 A299R74-R297 PolarHBondContact NH2-O 3.48Å; R297-A299 PolarHBondContact O-N 3.25Å
298P86.9Confident71.2Confident50 Ų50107.3 Ų107.333%0.32555%0.547SS..PPolyproline II helixtrans-50.6137.7173.1-27.536.1000111.5P270 N271 N278 E300P270-P298 HydrophobicContact CB-CG 4.37Å; N271-P298 HydrophobicContact CB-CB 3.84Å; N271-P298 HydrophobicContact CB-CG 3.96Å; N278-P298 WeakPolarHBondContact O-CG 3.49Å; P298-E300 PolarHBondContact O-N 2.96Å
299A76.9Confident68.4Low62 Ų62107.7 Ų107.751%0.51255%0.552SS.*PPolyproline II helixtrans-64.6135.1172.200000109.3R297 K301R297-A299 PolarHBondContact O-N 3.25Å; A299-K301 PolarHBondContact O-N 3.39Å
300E67.1Low65.4Low197 Ų197112.3 Ų112.392%0.92158%0.582SS**  trans-56.1111.1177.6-68.1-176.1175.900110.3P298 K302P298-E300 PolarHBondContact O-N 2.96Å; E300-K302 PolarHBondContact O-N 3.01Å; E300-K302 VanDerWaalsContact O-N 3.17Å
301K57.2Low62.5Low138 Ų138110 Ų11060%0.659%0.586SS**  trans-68.2113.6168.8-70.5179.1-172160.30106.9N271 A299 K303N271-K301 PolarHBondContact ND2-NZ 3.21Å; N271-K301 PolarHBondContact OD1-NZ 2.95Å; A299-K301 PolarHBondContact O-N 3.39Å; K301-K303 PolarHBondContact O-N 3.07Å
302K42.9Very low59.5Low180 Ų180113.9 Ų113.978%0.78361%0.613SS**  trans-53.3109.9157.9-80.4-173.7176.3-179.10106.4E300 Y304E300-K302 PolarHBondContact O-N 3.01Å; E300-K302 VanDerWaalsContact O-N 3.17Å; K302-Y304 VanDerWaalsContact C-N 3.32Å; K302-Y304 HydrophobicContact CB-CD2 4.4Å; K302-Y304 HydrophobicContact CB-CE2 4.13Å; K302-Y304 WeakPolarHBondContact O-CD2 3.36Å; K302-Y304 PolarHBondContact O-N 3.48Å
303K29.9Very low56.5Low169 Ų169121.4 Ų121.474%0.73563%0.632SS**  trans-58.590.3-177.4-74-178.3177.2178.30110K301 Y305K301-K303 PolarHBondContact O-N 3.07Å; K303-Y305 HydrophobicContact CB-CE2 4.3Å; K303-Y305 HydrophobicContact CD-CE2 4.33Å
304Y35.9Very low53.7Low201 Ų201120.6 Ų120.679%0.78863%0.631SS**  trans-91.5100.8157.3-71.2-79.5000106.3K302 V306K302-Y304 VanDerWaalsContact C-N 3.32Å; K302-Y304 HydrophobicContact CB-CD2 4.4Å; K302-Y304 HydrophobicContact CB-CE2 4.13Å; K302-Y304 WeakPolarHBondContact O-CD2 3.36Å; K302-Y304 PolarHBondContact O-N 3.48Å; Y304-V306 PolarHBondContact O-N 3.16Å
305Y29.5Very low51.4Low207 Ų207124.2 Ų124.281%0.81265%0.651SS**  trans-60.7105.7172-78.1-92.6000108.8K303K303-Y305 HydrophobicContact CB-CE2 4.3Å; K303-Y305 HydrophobicContact CD-CE2 4.33Å
306V38.9Very low49Very low123 Ų123122.9 Ų122.975%0.74565%0.645SS**  trans-129.5107.2158.9-1730000105.5Y304 V308Y304-V306 PolarHBondContact O-N 3.16Å; V306-V308 PolarHBondContact O-N 2.91Å
307G31.4Very low46.5Very low80 Ų80123.6 Ų123.683%0.82565%0.651SS**  trans-61.7119.6-178.300000110.8
308V39.5Very low44Very low123 Ų123118 Ų11875%0.74564%0.639SS**  trans-115.6132164.7-176.40000106.7V306V306-V308 PolarHBondContact O-N 2.91Å
309P37.2Very low41.8Very low119 Ų119120.5 Ų120.577%0.77364%0.642SS**  trans-62.4140.3-177.5-1729.5000111.4G311P309-G311 PolarHBondContact O-N 2.93Å
310T33.4Very low40.1Very low150 Ų150120.5 Ų120.592%0.9265%0.648SS**  trans-60.4100173.449.10000110.5
311G35.2Very low38.8Very low63 Ų63116.1 Ų116.165%0.64965%0.646SS**  trans-94.2153.2165.900000110.8P309P309-G311 PolarHBondContact O-N 2.93Å
312S35.2Very low37.9Very low116 Ų116118.8 Ų118.881%0.81166%0.657SS**  trans-46.6136.3-17745.50000115.7
313R33.5Very low37.7Very low220 Ų220115 Ų11583%0.8366%0.66SS**  trans-41133.9175.5-64.9176.2178.3175.2-2.7112.6I315R313-I315 PolarHBondContact O-N 3.46Å
314P39.5Very low37.9Very low28 Ų28116.9 Ų116.918%0.18267%0.668CS.*  trans-76.692.9168.6-2.621.3000107.9E275 F276E275-P314 HydrophobicContact CB-CG 4.39Å; E275-P314 VanDerWaalsContact CD-CG 3.47Å; E275-P314 WeakPolarHBondContact OE2-CD 3.26Å; E275-P314 WeakPolarHBondContact OE2-CG 3.46Å; F276-P314 HydrophobicContact CE2-CG 4.08Å; F276-P314 WeakPolarHBondContact CZ-O 3.48Å
315I48.8Very low37.9Very low116 Ų116110.6 Ų110.660%0.59566%0.664SS**  trans-69.5147.9157.1-60.1166.3000106.2R313 P317R313-I315 PolarHBondContact O-N 3.46Å; I315-P317 WeakPolarHBondContact O-CD 3.21Å; I315-P317 WeakPolarHBondContact O-CG 3.39Å
316T45.8Very low38Very low28 Ų28110.3 Ų110.317%0.17267%0.667CS.*  trans-57.4115.4167.1-540000108.3W206 R221W206-T316 HydrophobicContact CZ3-CG2 4.11Å; R221-T316 VanDerWaalsContact CZ-CB 3.49Å; R221-T316 PolarHBondContact NH1-OG1 2.92Å
317P40.3Very low37.8Very low37 Ų37116.5 Ų116.524%0.2470%0.695CS.*  trans-79.2144-158.4-14.329.8000110.1Y134 I315 R319Y134-P317 HydrophobicContact CE1-CB 4.5Å; Y134-P317 HydrophobicContact CE1-CG 3.63Å; Y134-P317 WeakPolarHBondContact OH-CB 3.28Å; Y134-P317 WeakPolarHBondContact OH-CD 3.39Å; Y134-P317 WeakPolarHBondContact OH-CG 3.49Å; I315-P317 WeakPolarHBondContact O-CD 3.21Å; I315-P317 WeakPolarHBondContact O-CG 3.39Å; P317-R319 PolarHBondContact O-N 2.8Å
318P39.2Very low38.1Very low71 Ų71118.4 Ų118.446%0.46169%0.688SS.*  trans-66.5137.1178.424.7-32.3000112.3R221 G320R221-P318 VanDerWaalsContact C-CB 3.47Å; R221-P318 WeakPolarHBondContact O-CA 3.46Å; R221-P318 WeakPolarHBondContact O-CB 2.83Å; P318-G320 VanDerWaalsContact C-N 3.25Å; P318-G320 PolarHBondContact O-N 2.74Å
319R40.3Very low38Very low103 Ų103118.1 Ų118.139%0.38969%0.685SS.*THydrogen-bonded Turntrans-77.675.8176.9-160.6177.3177.8-165.5-8.9109.4S129 P317S129-R319 PolarHBondContact OG-NH1 3.1Å; S129-R319 PolarHBondContact OG-NH2 3.27Å; P317-R319 PolarHBondContact O-N 2.8Å
320G41.8Very low38.1Very low62 Ų62118.1 Ų118.164%0.63968%0.68SS**THydrogen-bonded Turntrans-151.8-4.8-174.300000117.3P318 K322P318-G320 VanDerWaalsContact C-N 3.25Å; P318-G320 PolarHBondContact O-N 2.74Å; G320-K322 PolarHBondContact O-N 2.8Å
321A39.5Very low38.3Very low105 Ų105116.2 Ų116.287%0.86867%0.666SS**  trans-76.774.3175.300000111.1A323A321-A323 PolarHBondContact O-N 3.22Å; A321-A323 VanDerWaalsContact O-N 3.07Å
322K39.3Very low38.5Very low193 Ų193119.5 Ų119.584%0.83967%0.667SS**  trans-57.6112.9160.3-79.4-175.8179175.90107.5G320 K324G320-K322 PolarHBondContact O-N 2.8Å; K322-K324 PolarHBondContact O-N 3.35Å
323A37.4Very low38.7Very low101 Ų101119.7 Ų119.784%0.83566%0.657SS**  trans-54.1103.9168.400000109A321A321-A323 PolarHBondContact O-N 3.22Å; A321-A323 VanDerWaalsContact O-N 3.07Å
324K33.9Very low39.1Very low209 Ų209112.6 Ų112.691%0.90965%0.645SS**  trans-84.6120.7164.4-82-175.6175.5177.50107.9K322K322-K324 PolarHBondContact O-N 3.35Å
325G35.6Very low39.1Very low68 Ų68119.1 Ų119.170%0.70168%0.681SS**  trans107.5138.7165.800000113.8
326K32.5Very low38.3Very low202 Ų202119.3 Ų119.388%0.87869%0.688SS**  cis-171.8124.6-3.3-116.2-178.7-176.2-176.60103
327L33.8Very low37.6Very low253 Ų253127.6 Ų127.6100%1.32574%0.735SS**  trans61.30176.6-79.9156000117.4

Retrieved 327 of 327 residues in 436.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).